USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 741 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 Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc=-0.00742 X(o=-0.0074,f=-0.015) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= -0.516 (180deg=-0.678) USER MOD Single : A 82 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.051) USER MOD Single : A 85 LYS NZ :NH3+ -170:sc= -0.0101 (180deg=-0.114) USER MOD Single : A 87 SER OG : rot 45:sc= 0.0365 USER MOD Single : A 90 HIS : no HD1:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 93 SER OG : rot -6:sc= -0.475 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 100 GLN : amide:sc= -0.0856 X(o=-0.086,f=-0.086) USER MOD Single : A 102 LYS NZ :NH3+ 177:sc= -0.653 (180deg=-0.67) USER MOD Single : A 103 GLN : amide:sc= -0.225 K(o=-0.22,f=-1.3!) USER MOD Single : A 104 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.4!) USER MOD Single : A 107 SER OG : rot -27:sc= 1.24 USER MOD Single : A 110 LYS NZ :NH3+ -158:sc= 1.11 (180deg=0.671) USER MOD Single : A 112 SER OG : rot -124:sc= 1.01 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 115 SER OG : rot 180:sc= -0.016 USER MOD Single : A 118 LYS NZ :NH3+ 166:sc= -1.41 (180deg=-1.87) USER MOD Single : A 122 LYS NZ :NH3+ -165:sc= -0.0375 (180deg=-0.26) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.031 X(o=-0.031,f=-0.39) USER MOD Single : A 129 ASN : amide:sc= -0.382 K(o=-0.38,f=-2.1) USER MOD Single : A 133 SER OG : rot 180:sc= 0.00919 USER MOD Single : A 136 LYS NZ :NH3+ 149:sc= -1.61! (180deg=-3.34!) USER MOD Single : A 138 THR OG1 : rot 170:sc= -0.172 USER MOD Single : A 141 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 142 SER OG : rot -103:sc= 1.19 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 MET CE :methyl -142:sc= -0.376 (180deg=-1.17) USER MOD Single : A 149 LYS NZ :NH3+ -117:sc= -1.21 (180deg=-2.06) USER MOD Single : A 151 ASN : amide:sc= -0.035 K(o=-0.035,f=-0.61) USER MOD Single : A 154 HIS : no HD1:sc= -0.74 X(o=-0.74,f=-0.32) USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 159 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 73 12.900 2.430 -9.086 1.00 2.05 N ATOM 2 CA MET A 73 14.160 1.654 -8.978 1.00 1.60 C ATOM 3 C MET A 73 13.923 0.330 -8.257 1.00 1.28 C ATOM 4 O MET A 73 14.027 -0.740 -8.858 1.00 1.73 O ATOM 5 CB MET A 73 15.231 2.466 -8.245 1.00 1.92 C ATOM 6 CG MET A 73 15.764 3.638 -9.052 1.00 2.47 C ATOM 7 SD MET A 73 16.503 3.121 -10.612 1.00 3.03 S ATOM 8 CE MET A 73 16.970 4.703 -11.308 1.00 3.72 C ATOM 0 HA MET A 73 14.511 1.440 -9.988 1.00 1.60 H new ATOM 0 HB2 MET A 73 14.815 2.839 -7.309 1.00 1.92 H new ATOM 0 HB3 MET A 73 16.060 1.808 -7.985 1.00 1.92 H new ATOM 0 HG2 MET A 73 14.952 4.337 -9.252 1.00 2.47 H new ATOM 0 HG3 MET A 73 16.507 4.174 -8.461 1.00 2.47 H new ATOM 0 HE1 MET A 73 17.442 4.549 -12.278 1.00 3.72 H new ATOM 0 HE2 MET A 73 16.082 5.323 -11.431 1.00 3.72 H new ATOM 0 HE3 MET A 73 17.671 5.202 -10.639 1.00 3.72 H new ATOM 20 N VAL A 74 13.599 0.401 -6.971 1.00 0.95 N ATOM 21 CA VAL A 74 13.317 -0.795 -6.190 1.00 0.74 C ATOM 22 C VAL A 74 11.882 -1.252 -6.438 1.00 0.65 C ATOM 23 O VAL A 74 10.997 -0.434 -6.682 1.00 0.57 O ATOM 24 CB VAL A 74 13.548 -0.567 -4.676 1.00 0.69 C ATOM 25 CG1 VAL A 74 15.005 -0.219 -4.404 1.00 1.15 C ATOM 26 CG2 VAL A 74 12.633 0.521 -4.131 1.00 1.18 C ATOM 0 H VAL A 74 13.525 1.274 -6.448 1.00 0.95 H new ATOM 0 HA VAL A 74 14.010 -1.572 -6.514 1.00 0.74 H new ATOM 0 HB VAL A 74 13.306 -1.497 -4.161 1.00 0.69 H new ATOM 0 HG11 VAL A 74 15.148 -0.062 -3.335 1.00 1.15 H new ATOM 0 HG12 VAL A 74 15.643 -1.036 -4.740 1.00 1.15 H new ATOM 0 HG13 VAL A 74 15.268 0.691 -4.943 1.00 1.15 H new ATOM 0 HG21 VAL A 74 12.822 0.655 -3.066 1.00 1.18 H new ATOM 0 HG22 VAL A 74 12.828 1.457 -4.655 1.00 1.18 H new ATOM 0 HG23 VAL A 74 11.593 0.231 -4.282 1.00 1.18 H new ATOM 36 N HIS A 75 11.656 -2.556 -6.394 1.00 0.76 N ATOM 37 CA HIS A 75 10.349 -3.111 -6.726 1.00 0.70 C ATOM 38 C HIS A 75 9.652 -3.631 -5.481 1.00 0.58 C ATOM 39 O HIS A 75 10.222 -4.415 -4.728 1.00 0.72 O ATOM 40 CB HIS A 75 10.483 -4.234 -7.762 1.00 0.92 C ATOM 41 CG HIS A 75 10.953 -3.761 -9.105 1.00 1.33 C ATOM 42 ND1 HIS A 75 10.153 -3.756 -10.227 1.00 1.77 N ATOM 43 CD2 HIS A 75 12.150 -3.270 -9.501 1.00 2.44 C ATOM 44 CE1 HIS A 75 10.837 -3.282 -11.251 1.00 2.67 C ATOM 45 NE2 HIS A 75 12.050 -2.978 -10.836 1.00 3.06 N ATOM 0 H HIS A 75 12.357 -3.249 -6.133 1.00 0.76 H new ATOM 0 HA HIS A 75 9.745 -2.312 -7.155 1.00 0.70 H new ATOM 0 HB2 HIS A 75 11.180 -4.982 -7.386 1.00 0.92 H new ATOM 0 HB3 HIS A 75 9.518 -4.727 -7.877 1.00 0.92 H new ATOM 0 HD2 HIS A 75 13.023 -3.133 -8.880 1.00 2.44 H new ATOM 0 HE1 HIS A 75 10.466 -3.163 -12.258 1.00 2.67 H new ATOM 0 HE2 HIS A 75 12.794 -2.588 -11.415 1.00 3.06 H new ATOM 54 N LEU A 76 8.424 -3.185 -5.268 1.00 0.41 N ATOM 55 CA LEU A 76 7.649 -3.603 -4.112 1.00 0.29 C ATOM 56 C LEU A 76 6.452 -4.440 -4.550 1.00 0.23 C ATOM 57 O LEU A 76 5.570 -3.960 -5.270 1.00 0.28 O ATOM 58 CB LEU A 76 7.161 -2.389 -3.304 1.00 0.26 C ATOM 59 CG LEU A 76 8.249 -1.544 -2.624 1.00 0.35 C ATOM 60 CD1 LEU A 76 8.962 -0.650 -3.627 1.00 0.54 C ATOM 61 CD2 LEU A 76 7.647 -0.709 -1.502 1.00 0.27 C ATOM 0 H LEU A 76 7.941 -2.531 -5.884 1.00 0.41 H new ATOM 0 HA LEU A 76 8.298 -4.205 -3.476 1.00 0.29 H new ATOM 0 HB2 LEU A 76 6.591 -1.741 -3.970 1.00 0.26 H new ATOM 0 HB3 LEU A 76 6.473 -2.743 -2.537 1.00 0.26 H new ATOM 0 HG LEU A 76 8.987 -2.225 -2.200 1.00 0.35 H new ATOM 0 HD11 LEU A 76 9.726 -0.065 -3.114 1.00 0.54 H new ATOM 0 HD12 LEU A 76 9.431 -1.266 -4.394 1.00 0.54 H new ATOM 0 HD13 LEU A 76 8.241 0.023 -4.092 1.00 0.54 H new ATOM 0 HD21 LEU A 76 8.430 -0.116 -1.030 1.00 0.27 H new ATOM 0 HD22 LEU A 76 6.885 -0.045 -1.911 1.00 0.27 H new ATOM 0 HD23 LEU A 76 7.194 -1.368 -0.761 1.00 0.27 H new ATOM 73 N THR A 77 6.435 -5.694 -4.133 1.00 0.20 N ATOM 74 CA THR A 77 5.319 -6.578 -4.414 1.00 0.16 C ATOM 75 C THR A 77 4.343 -6.564 -3.245 1.00 0.16 C ATOM 76 O THR A 77 4.531 -7.265 -2.250 1.00 0.20 O ATOM 77 CB THR A 77 5.797 -8.017 -4.676 1.00 0.15 C ATOM 78 OG1 THR A 77 6.795 -8.015 -5.708 1.00 0.21 O ATOM 79 CG2 THR A 77 4.633 -8.908 -5.089 1.00 0.26 C ATOM 0 H THR A 77 7.187 -6.124 -3.595 1.00 0.20 H new ATOM 0 HA THR A 77 4.820 -6.218 -5.314 1.00 0.16 H new ATOM 0 HB THR A 77 6.224 -8.412 -3.754 1.00 0.15 H new ATOM 0 HG1 THR A 77 7.099 -8.932 -5.871 1.00 0.21 H new ATOM 0 HG21 THR A 77 4.995 -9.920 -5.269 1.00 0.26 H new ATOM 0 HG22 THR A 77 3.888 -8.925 -4.294 1.00 0.26 H new ATOM 0 HG23 THR A 77 4.181 -8.517 -6.001 1.00 0.26 H new ATOM 87 N LEU A 78 3.311 -5.750 -3.372 1.00 0.17 N ATOM 88 CA LEU A 78 2.342 -5.564 -2.310 1.00 0.20 C ATOM 89 C LEU A 78 1.302 -6.677 -2.350 1.00 0.18 C ATOM 90 O LEU A 78 0.391 -6.657 -3.181 1.00 0.20 O ATOM 91 CB LEU A 78 1.651 -4.201 -2.455 1.00 0.22 C ATOM 92 CG LEU A 78 2.563 -3.025 -2.830 1.00 0.30 C ATOM 93 CD1 LEU A 78 1.764 -1.734 -2.911 1.00 0.69 C ATOM 94 CD2 LEU A 78 3.704 -2.879 -1.836 1.00 0.72 C ATOM 0 H LEU A 78 3.122 -5.202 -4.211 1.00 0.17 H new ATOM 0 HA LEU A 78 2.863 -5.597 -1.353 1.00 0.20 H new ATOM 0 HB2 LEU A 78 0.873 -4.288 -3.213 1.00 0.22 H new ATOM 0 HB3 LEU A 78 1.154 -3.965 -1.514 1.00 0.22 H new ATOM 0 HG LEU A 78 2.992 -3.233 -3.811 1.00 0.30 H new ATOM 0 HD11 LEU A 78 2.428 -0.912 -3.178 1.00 0.69 H new ATOM 0 HD12 LEU A 78 0.987 -1.834 -3.669 1.00 0.69 H new ATOM 0 HD13 LEU A 78 1.304 -1.530 -1.944 1.00 0.69 H new ATOM 0 HD21 LEU A 78 4.334 -2.038 -2.126 1.00 0.72 H new ATOM 0 HD22 LEU A 78 3.298 -2.702 -0.840 1.00 0.72 H new ATOM 0 HD23 LEU A 78 4.299 -3.792 -1.828 1.00 0.72 H new ATOM 106 N LYS A 79 1.453 -7.661 -1.474 1.00 0.19 N ATOM 107 CA LYS A 79 0.494 -8.748 -1.400 1.00 0.19 C ATOM 108 C LYS A 79 -0.604 -8.412 -0.396 1.00 0.17 C ATOM 109 O LYS A 79 -0.343 -8.241 0.798 1.00 0.18 O ATOM 110 CB LYS A 79 1.182 -10.061 -1.016 1.00 0.29 C ATOM 111 CG LYS A 79 0.275 -11.276 -1.157 1.00 0.35 C ATOM 112 CD LYS A 79 1.010 -12.583 -0.887 1.00 0.88 C ATOM 113 CE LYS A 79 1.401 -12.728 0.577 1.00 0.97 C ATOM 114 NZ LYS A 79 1.985 -14.064 0.868 1.00 1.39 N ATOM 0 H LYS A 79 2.225 -7.727 -0.811 1.00 0.19 H new ATOM 0 HA LYS A 79 0.046 -8.876 -2.385 1.00 0.19 H new ATOM 0 HB2 LYS A 79 2.063 -10.199 -1.642 1.00 0.29 H new ATOM 0 HB3 LYS A 79 1.531 -9.993 0.015 1.00 0.29 H new ATOM 0 HG2 LYS A 79 -0.562 -11.183 -0.465 1.00 0.35 H new ATOM 0 HG3 LYS A 79 -0.144 -11.299 -2.163 1.00 0.35 H new ATOM 0 HD2 LYS A 79 0.377 -13.421 -1.177 1.00 0.88 H new ATOM 0 HD3 LYS A 79 1.905 -12.630 -1.507 1.00 0.88 H new ATOM 0 HE2 LYS A 79 2.121 -11.953 0.838 1.00 0.97 H new ATOM 0 HE3 LYS A 79 0.523 -12.572 1.204 1.00 0.97 H new ATOM 0 HZ1 LYS A 79 2.237 -14.121 1.875 1.00 1.39 H new ATOM 0 HZ2 LYS A 79 1.289 -14.803 0.643 1.00 1.39 H new ATOM 0 HZ3 LYS A 79 2.838 -14.204 0.289 1.00 1.39 H new ATOM 128 N LYS A 80 -1.827 -8.306 -0.892 1.00 0.20 N ATOM 129 CA LYS A 80 -2.967 -7.931 -0.072 1.00 0.20 C ATOM 130 C LYS A 80 -3.756 -9.165 0.340 1.00 0.26 C ATOM 131 O LYS A 80 -4.414 -9.794 -0.487 1.00 0.30 O ATOM 132 CB LYS A 80 -3.868 -6.967 -0.841 1.00 0.18 C ATOM 133 CG LYS A 80 -5.084 -6.504 -0.061 1.00 0.21 C ATOM 134 CD LYS A 80 -5.907 -5.520 -0.869 1.00 0.26 C ATOM 135 CE LYS A 80 -7.207 -5.179 -0.175 1.00 0.30 C ATOM 136 NZ LYS A 80 -7.987 -4.154 -0.914 1.00 0.40 N ATOM 0 H LYS A 80 -2.056 -8.477 -1.871 1.00 0.20 H new ATOM 0 HA LYS A 80 -2.601 -7.437 0.828 1.00 0.20 H new ATOM 0 HB2 LYS A 80 -3.283 -6.095 -1.134 1.00 0.18 H new ATOM 0 HB3 LYS A 80 -4.201 -7.451 -1.759 1.00 0.18 H new ATOM 0 HG2 LYS A 80 -5.698 -7.364 0.206 1.00 0.21 H new ATOM 0 HG3 LYS A 80 -4.766 -6.038 0.872 1.00 0.21 H new ATOM 0 HD2 LYS A 80 -5.330 -4.609 -1.031 1.00 0.26 H new ATOM 0 HD3 LYS A 80 -6.118 -5.942 -1.851 1.00 0.26 H new ATOM 0 HE2 LYS A 80 -7.807 -6.082 -0.068 1.00 0.30 H new ATOM 0 HE3 LYS A 80 -6.995 -4.816 0.831 1.00 0.30 H new ATOM 0 HZ1 LYS A 80 -8.779 -3.829 -0.324 1.00 0.40 H new ATOM 0 HZ2 LYS A 80 -7.372 -3.347 -1.142 1.00 0.40 H new ATOM 0 HZ3 LYS A 80 -8.357 -4.567 -1.794 1.00 0.40 H new ATOM 150 N ILE A 81 -3.702 -9.488 1.622 1.00 0.33 N ATOM 151 CA ILE A 81 -4.346 -10.691 2.139 1.00 0.42 C ATOM 152 C ILE A 81 -5.521 -10.354 3.062 1.00 0.42 C ATOM 153 O ILE A 81 -5.857 -11.120 3.965 1.00 0.46 O ATOM 154 CB ILE A 81 -3.336 -11.587 2.894 1.00 0.53 C ATOM 155 CG1 ILE A 81 -2.670 -10.820 4.045 1.00 0.51 C ATOM 156 CG2 ILE A 81 -2.284 -12.114 1.928 1.00 0.64 C ATOM 157 CD1 ILE A 81 -1.723 -11.665 4.872 1.00 0.63 C ATOM 0 H ILE A 81 -3.218 -8.934 2.328 1.00 0.33 H new ATOM 0 HA ILE A 81 -4.729 -11.236 1.276 1.00 0.42 H new ATOM 0 HB ILE A 81 -3.879 -12.429 3.323 1.00 0.53 H new ATOM 0 HG12 ILE A 81 -2.122 -9.971 3.635 1.00 0.51 H new ATOM 0 HG13 ILE A 81 -3.445 -10.415 4.696 1.00 0.51 H new ATOM 0 HG21 ILE A 81 -1.577 -12.744 2.468 1.00 0.64 H new ATOM 0 HG22 ILE A 81 -2.768 -12.700 1.147 1.00 0.64 H new ATOM 0 HG23 ILE A 81 -1.752 -11.276 1.477 1.00 0.64 H new ATOM 0 HD11 ILE A 81 -1.291 -11.056 5.666 1.00 0.63 H new ATOM 0 HD12 ILE A 81 -2.269 -12.499 5.312 1.00 0.63 H new ATOM 0 HD13 ILE A 81 -0.927 -12.049 4.234 1.00 0.63 H new ATOM 169 N GLN A 82 -6.151 -9.209 2.824 1.00 0.44 N ATOM 170 CA GLN A 82 -7.284 -8.783 3.640 1.00 0.47 C ATOM 171 C GLN A 82 -8.604 -8.939 2.886 1.00 0.49 C ATOM 172 O GLN A 82 -9.217 -10.003 2.921 1.00 0.54 O ATOM 173 CB GLN A 82 -7.090 -7.339 4.095 1.00 0.46 C ATOM 174 CG GLN A 82 -5.927 -7.162 5.053 1.00 0.47 C ATOM 175 CD GLN A 82 -6.195 -7.762 6.420 1.00 0.57 C ATOM 176 OE1 GLN A 82 -6.703 -7.084 7.313 1.00 1.22 O ATOM 177 NE2 GLN A 82 -5.857 -9.031 6.592 1.00 1.15 N ATOM 0 H GLN A 82 -5.899 -8.562 2.077 1.00 0.44 H new ATOM 0 HA GLN A 82 -7.330 -9.426 4.519 1.00 0.47 H new ATOM 0 HB2 GLN A 82 -6.930 -6.708 3.220 1.00 0.46 H new ATOM 0 HB3 GLN A 82 -8.004 -6.991 4.576 1.00 0.46 H new ATOM 0 HG2 GLN A 82 -5.037 -7.625 4.626 1.00 0.47 H new ATOM 0 HG3 GLN A 82 -5.712 -6.099 5.164 1.00 0.47 H new ATOM 0 HE21 GLN A 82 -5.438 -9.556 5.824 1.00 1.15 H new ATOM 0 HE22 GLN A 82 -6.015 -9.483 7.492 1.00 1.15 H new ATOM 186 N ALA A 83 -9.028 -7.885 2.189 1.00 0.46 N ATOM 187 CA ALA A 83 -10.246 -7.930 1.382 1.00 0.50 C ATOM 188 C ALA A 83 -10.309 -6.725 0.448 1.00 0.47 C ATOM 189 O ALA A 83 -9.945 -5.615 0.840 1.00 0.47 O ATOM 190 CB ALA A 83 -11.484 -7.980 2.265 1.00 0.60 C ATOM 0 H ALA A 83 -8.544 -6.987 2.167 1.00 0.46 H new ATOM 0 HA ALA A 83 -10.221 -8.839 0.781 1.00 0.50 H new ATOM 0 HB1 ALA A 83 -12.376 -8.013 1.639 1.00 0.60 H new ATOM 0 HB2 ALA A 83 -11.448 -8.871 2.892 1.00 0.60 H new ATOM 0 HB3 ALA A 83 -11.516 -7.092 2.897 1.00 0.60 H new ATOM 196 N PRO A 84 -10.724 -6.925 -0.818 1.00 0.48 N ATOM 197 CA PRO A 84 -11.093 -8.238 -1.355 1.00 0.48 C ATOM 198 C PRO A 84 -9.872 -9.059 -1.760 1.00 0.40 C ATOM 199 O PRO A 84 -9.993 -10.072 -2.449 1.00 0.39 O ATOM 200 CB PRO A 84 -11.950 -7.909 -2.589 1.00 0.53 C ATOM 201 CG PRO A 84 -12.019 -6.414 -2.669 1.00 0.77 C ATOM 202 CD PRO A 84 -10.894 -5.881 -1.829 1.00 0.54 C ATOM 0 HA PRO A 84 -11.616 -8.842 -0.614 1.00 0.48 H new ATOM 0 HB2 PRO A 84 -11.506 -8.326 -3.493 1.00 0.53 H new ATOM 0 HB3 PRO A 84 -12.947 -8.339 -2.496 1.00 0.53 H new ATOM 0 HG2 PRO A 84 -11.923 -6.078 -3.701 1.00 0.77 H new ATOM 0 HG3 PRO A 84 -12.980 -6.051 -2.303 1.00 0.77 H new ATOM 0 HD2 PRO A 84 -9.987 -5.733 -2.415 1.00 0.54 H new ATOM 0 HD3 PRO A 84 -11.144 -4.920 -1.380 1.00 0.54 H new ATOM 210 N LYS A 85 -8.699 -8.588 -1.326 1.00 0.35 N ATOM 211 CA LYS A 85 -7.418 -9.273 -1.556 1.00 0.30 C ATOM 212 C LYS A 85 -6.957 -9.188 -3.013 1.00 0.27 C ATOM 213 O LYS A 85 -7.769 -9.135 -3.939 1.00 0.31 O ATOM 214 CB LYS A 85 -7.480 -10.745 -1.125 1.00 0.34 C ATOM 215 CG LYS A 85 -7.822 -10.949 0.342 1.00 0.41 C ATOM 216 CD LYS A 85 -7.574 -12.382 0.791 1.00 0.50 C ATOM 217 CE LYS A 85 -8.485 -13.373 0.083 1.00 1.33 C ATOM 218 NZ LYS A 85 -9.914 -13.170 0.437 1.00 1.96 N ATOM 0 H LYS A 85 -8.608 -7.717 -0.803 1.00 0.35 H new ATOM 0 HA LYS A 85 -6.687 -8.749 -0.940 1.00 0.30 H new ATOM 0 HB2 LYS A 85 -8.222 -11.260 -1.735 1.00 0.34 H new ATOM 0 HB3 LYS A 85 -6.518 -11.213 -1.331 1.00 0.34 H new ATOM 0 HG2 LYS A 85 -7.226 -10.270 0.951 1.00 0.41 H new ATOM 0 HG3 LYS A 85 -8.868 -10.692 0.510 1.00 0.41 H new ATOM 0 HD2 LYS A 85 -6.534 -12.646 0.599 1.00 0.50 H new ATOM 0 HD3 LYS A 85 -7.728 -12.455 1.868 1.00 0.50 H new ATOM 0 HE2 LYS A 85 -8.361 -13.272 -0.995 1.00 1.33 H new ATOM 0 HE3 LYS A 85 -8.188 -14.389 0.344 1.00 1.33 H new ATOM 0 HZ1 LYS A 85 -10.478 -13.963 0.072 1.00 1.96 H new ATOM 0 HZ2 LYS A 85 -10.012 -13.123 1.471 1.00 1.96 H new ATOM 0 HZ3 LYS A 85 -10.253 -12.281 0.016 1.00 1.96 H new ATOM 232 N PHE A 86 -5.637 -9.168 -3.189 1.00 0.24 N ATOM 233 CA PHE A 86 -5.000 -9.181 -4.507 1.00 0.23 C ATOM 234 C PHE A 86 -3.483 -9.179 -4.342 1.00 0.22 C ATOM 235 O PHE A 86 -2.979 -9.231 -3.221 1.00 0.24 O ATOM 236 CB PHE A 86 -5.445 -7.993 -5.386 1.00 0.26 C ATOM 237 CG PHE A 86 -5.215 -6.617 -4.802 1.00 0.25 C ATOM 238 CD1 PHE A 86 -3.938 -6.174 -4.486 1.00 0.27 C ATOM 239 CD2 PHE A 86 -6.281 -5.759 -4.595 1.00 0.30 C ATOM 240 CE1 PHE A 86 -3.734 -4.908 -3.975 1.00 0.30 C ATOM 241 CE2 PHE A 86 -6.082 -4.491 -4.082 1.00 0.32 C ATOM 242 CZ PHE A 86 -4.805 -4.066 -3.772 1.00 0.28 C ATOM 0 H PHE A 86 -4.973 -9.142 -2.415 1.00 0.24 H new ATOM 0 HA PHE A 86 -5.316 -10.090 -5.019 1.00 0.23 H new ATOM 0 HB2 PHE A 86 -4.920 -8.054 -6.339 1.00 0.26 H new ATOM 0 HB3 PHE A 86 -6.508 -8.103 -5.600 1.00 0.26 H new ATOM 0 HD1 PHE A 86 -3.093 -6.828 -4.642 1.00 0.27 H new ATOM 0 HD2 PHE A 86 -7.282 -6.085 -4.838 1.00 0.30 H new ATOM 0 HE1 PHE A 86 -2.734 -4.578 -3.734 1.00 0.30 H new ATOM 0 HE2 PHE A 86 -6.924 -3.833 -3.924 1.00 0.32 H new ATOM 0 HZ PHE A 86 -4.647 -3.076 -3.371 1.00 0.28 H new ATOM 252 N SER A 87 -2.767 -9.133 -5.452 1.00 0.22 N ATOM 253 CA SER A 87 -1.316 -9.019 -5.428 1.00 0.24 C ATOM 254 C SER A 87 -0.842 -8.087 -6.541 1.00 0.23 C ATOM 255 O SER A 87 -1.090 -8.338 -7.722 1.00 0.31 O ATOM 256 CB SER A 87 -0.673 -10.403 -5.564 1.00 0.34 C ATOM 257 OG SER A 87 -1.291 -11.154 -6.596 1.00 1.32 O ATOM 0 H SER A 87 -3.169 -9.173 -6.389 1.00 0.22 H new ATOM 0 HA SER A 87 -1.010 -8.593 -4.472 1.00 0.24 H new ATOM 0 HB2 SER A 87 0.391 -10.294 -5.776 1.00 0.34 H new ATOM 0 HB3 SER A 87 -0.756 -10.940 -4.619 1.00 0.34 H new ATOM 0 HG SER A 87 -1.418 -10.585 -7.384 1.00 1.32 H new ATOM 263 N ILE A 88 -0.186 -7.000 -6.159 1.00 0.18 N ATOM 264 CA ILE A 88 0.263 -6.000 -7.123 1.00 0.19 C ATOM 265 C ILE A 88 1.766 -5.779 -7.026 1.00 0.21 C ATOM 266 O ILE A 88 2.356 -5.922 -5.959 1.00 0.38 O ATOM 267 CB ILE A 88 -0.451 -4.646 -6.915 1.00 0.20 C ATOM 268 CG1 ILE A 88 -0.328 -4.200 -5.455 1.00 0.18 C ATOM 269 CG2 ILE A 88 -1.911 -4.739 -7.336 1.00 0.20 C ATOM 270 CD1 ILE A 88 -1.004 -2.880 -5.152 1.00 0.21 C ATOM 0 H ILE A 88 0.048 -6.786 -5.189 1.00 0.18 H new ATOM 0 HA ILE A 88 0.013 -6.387 -8.111 1.00 0.19 H new ATOM 0 HB ILE A 88 0.032 -3.897 -7.543 1.00 0.20 H new ATOM 0 HG12 ILE A 88 -0.756 -4.971 -4.814 1.00 0.18 H new ATOM 0 HG13 ILE A 88 0.728 -4.122 -5.198 1.00 0.18 H new ATOM 0 HG21 ILE A 88 -2.396 -3.775 -7.182 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -1.969 -5.010 -8.390 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -2.414 -5.499 -6.738 1.00 0.20 H new ATOM 0 HD11 ILE A 88 -0.870 -2.636 -4.098 1.00 0.21 H new ATOM 0 HD12 ILE A 88 -0.561 -2.095 -5.765 1.00 0.21 H new ATOM 0 HD13 ILE A 88 -2.068 -2.957 -5.375 1.00 0.21 H new ATOM 282 N GLU A 89 2.375 -5.421 -8.141 1.00 0.21 N ATOM 283 CA GLU A 89 3.797 -5.128 -8.177 1.00 0.25 C ATOM 284 C GLU A 89 4.018 -3.699 -8.648 1.00 0.24 C ATOM 285 O GLU A 89 3.648 -3.338 -9.765 1.00 0.33 O ATOM 286 CB GLU A 89 4.521 -6.109 -9.100 1.00 0.30 C ATOM 287 CG GLU A 89 4.467 -7.547 -8.613 1.00 1.02 C ATOM 288 CD GLU A 89 5.076 -8.517 -9.598 1.00 1.07 C ATOM 289 OE1 GLU A 89 6.319 -8.669 -9.597 1.00 0.93 O ATOM 290 OE2 GLU A 89 4.321 -9.140 -10.373 1.00 1.45 O ATOM 0 H GLU A 89 1.904 -5.325 -9.040 1.00 0.21 H new ATOM 0 HA GLU A 89 4.205 -5.237 -7.172 1.00 0.25 H new ATOM 0 HB2 GLU A 89 4.080 -6.053 -10.095 1.00 0.30 H new ATOM 0 HB3 GLU A 89 5.563 -5.805 -9.196 1.00 0.30 H new ATOM 0 HG2 GLU A 89 4.992 -7.624 -7.661 1.00 1.02 H new ATOM 0 HG3 GLU A 89 3.429 -7.826 -8.429 1.00 1.02 H new ATOM 297 N HIS A 90 4.597 -2.883 -7.783 1.00 0.24 N ATOM 298 CA HIS A 90 4.846 -1.481 -8.096 1.00 0.28 C ATOM 299 C HIS A 90 6.268 -1.106 -7.705 1.00 0.33 C ATOM 300 O HIS A 90 6.719 -1.435 -6.611 1.00 0.44 O ATOM 301 CB HIS A 90 3.843 -0.570 -7.370 1.00 0.36 C ATOM 302 CG HIS A 90 2.451 -0.613 -7.933 1.00 1.10 C ATOM 303 ND1 HIS A 90 1.969 0.329 -8.813 1.00 1.86 N ATOM 304 CD2 HIS A 90 1.433 -1.481 -7.721 1.00 1.51 C ATOM 305 CE1 HIS A 90 0.717 0.045 -9.120 1.00 2.42 C ATOM 306 NE2 HIS A 90 0.367 -1.049 -8.472 1.00 2.20 N ATOM 0 H HIS A 90 4.906 -3.167 -6.853 1.00 0.24 H new ATOM 0 HA HIS A 90 4.720 -1.342 -9.170 1.00 0.28 H new ATOM 0 HB2 HIS A 90 3.806 -0.855 -6.318 1.00 0.36 H new ATOM 0 HB3 HIS A 90 4.207 0.457 -7.410 1.00 0.36 H new ATOM 0 HD2 HIS A 90 1.455 -2.351 -7.081 1.00 1.51 H new ATOM 0 HE1 HIS A 90 0.086 0.612 -9.788 1.00 2.42 H new ATOM 0 HE2 HIS A 90 -0.546 -1.501 -8.521 1.00 2.20 H new ATOM 315 N ASP A 91 6.980 -0.437 -8.598 1.00 0.39 N ATOM 316 CA ASP A 91 8.356 -0.052 -8.319 1.00 0.47 C ATOM 317 C ASP A 91 8.463 1.449 -8.079 1.00 0.45 C ATOM 318 O ASP A 91 7.773 2.251 -8.713 1.00 0.54 O ATOM 319 CB ASP A 91 9.296 -0.494 -9.452 1.00 0.65 C ATOM 320 CG ASP A 91 9.720 0.637 -10.373 1.00 1.18 C ATOM 321 OD1 ASP A 91 8.975 0.947 -11.326 1.00 1.83 O ATOM 322 OD2 ASP A 91 10.816 1.201 -10.159 1.00 1.73 O ATOM 0 H ASP A 91 6.633 -0.151 -9.514 1.00 0.39 H new ATOM 0 HA ASP A 91 8.667 -0.563 -7.408 1.00 0.47 H new ATOM 0 HB2 ASP A 91 10.186 -0.949 -9.017 1.00 0.65 H new ATOM 0 HB3 ASP A 91 8.801 -1.265 -10.043 1.00 0.65 H new ATOM 327 N PHE A 92 9.320 1.807 -7.138 1.00 0.40 N ATOM 328 CA PHE A 92 9.564 3.195 -6.774 1.00 0.43 C ATOM 329 C PHE A 92 11.050 3.383 -6.514 1.00 0.43 C ATOM 330 O PHE A 92 11.810 2.420 -6.529 1.00 0.45 O ATOM 331 CB PHE A 92 8.751 3.579 -5.530 1.00 0.44 C ATOM 332 CG PHE A 92 7.301 3.874 -5.811 1.00 0.55 C ATOM 333 CD1 PHE A 92 6.374 2.851 -5.938 1.00 0.53 C ATOM 334 CD2 PHE A 92 6.868 5.183 -5.951 1.00 0.83 C ATOM 335 CE1 PHE A 92 5.047 3.128 -6.200 1.00 0.68 C ATOM 336 CE2 PHE A 92 5.542 5.465 -6.211 1.00 0.97 C ATOM 337 CZ PHE A 92 4.630 4.437 -6.336 1.00 0.85 C ATOM 0 H PHE A 92 9.871 1.138 -6.600 1.00 0.40 H new ATOM 0 HA PHE A 92 9.251 3.843 -7.592 1.00 0.43 H new ATOM 0 HB2 PHE A 92 8.812 2.768 -4.805 1.00 0.44 H new ATOM 0 HB3 PHE A 92 9.206 4.455 -5.068 1.00 0.44 H new ATOM 0 HD1 PHE A 92 6.694 1.825 -5.831 1.00 0.53 H new ATOM 0 HD2 PHE A 92 7.577 5.992 -5.856 1.00 0.83 H new ATOM 0 HE1 PHE A 92 4.336 2.321 -6.298 1.00 0.68 H new ATOM 0 HE2 PHE A 92 5.218 6.490 -6.317 1.00 0.97 H new ATOM 0 HZ PHE A 92 3.592 4.656 -6.540 1.00 0.85 H new ATOM 347 N SER A 93 11.479 4.609 -6.309 1.00 0.48 N ATOM 348 CA SER A 93 12.878 4.869 -6.029 1.00 0.49 C ATOM 349 C SER A 93 13.068 5.175 -4.550 1.00 0.42 C ATOM 350 O SER A 93 12.144 5.665 -3.914 1.00 0.42 O ATOM 351 CB SER A 93 13.384 6.011 -6.908 1.00 0.63 C ATOM 352 OG SER A 93 13.302 5.654 -8.279 1.00 0.81 O ATOM 0 H SER A 93 10.885 5.438 -6.330 1.00 0.48 H new ATOM 0 HA SER A 93 13.465 3.981 -6.263 1.00 0.49 H new ATOM 0 HB2 SER A 93 12.794 6.909 -6.724 1.00 0.63 H new ATOM 0 HB3 SER A 93 14.416 6.248 -6.649 1.00 0.63 H new ATOM 0 HG SER A 93 13.030 4.716 -8.357 1.00 0.81 H new ATOM 358 N PRO A 94 14.240 4.864 -3.973 1.00 0.46 N ATOM 359 CA PRO A 94 14.466 4.969 -2.523 1.00 0.51 C ATOM 360 C PRO A 94 14.005 6.300 -1.920 1.00 0.52 C ATOM 361 O PRO A 94 13.436 6.328 -0.834 1.00 0.73 O ATOM 362 CB PRO A 94 15.986 4.795 -2.370 1.00 0.71 C ATOM 363 CG PRO A 94 16.545 4.834 -3.756 1.00 0.67 C ATOM 364 CD PRO A 94 15.440 4.384 -4.666 1.00 0.57 C ATOM 0 HA PRO A 94 13.883 4.222 -1.985 1.00 0.51 H new ATOM 0 HB2 PRO A 94 16.410 5.589 -1.755 1.00 0.71 H new ATOM 0 HB3 PRO A 94 16.224 3.851 -1.880 1.00 0.71 H new ATOM 0 HG2 PRO A 94 16.876 5.840 -4.014 1.00 0.67 H new ATOM 0 HG3 PRO A 94 17.413 4.180 -3.844 1.00 0.67 H new ATOM 0 HD2 PRO A 94 15.533 4.817 -5.662 1.00 0.57 H new ATOM 0 HD3 PRO A 94 15.431 3.301 -4.789 1.00 0.57 H new ATOM 372 N SER A 95 14.210 7.396 -2.628 1.00 0.47 N ATOM 373 CA SER A 95 13.862 8.700 -2.085 1.00 0.51 C ATOM 374 C SER A 95 12.369 8.999 -2.210 1.00 0.44 C ATOM 375 O SER A 95 11.903 10.052 -1.769 1.00 0.49 O ATOM 376 CB SER A 95 14.661 9.798 -2.766 1.00 0.62 C ATOM 377 OG SER A 95 16.053 9.531 -2.706 1.00 0.89 O ATOM 0 H SER A 95 14.609 7.413 -3.566 1.00 0.47 H new ATOM 0 HA SER A 95 14.111 8.674 -1.024 1.00 0.51 H new ATOM 0 HB2 SER A 95 14.349 9.886 -3.807 1.00 0.62 H new ATOM 0 HB3 SER A 95 14.450 10.755 -2.288 1.00 0.62 H new ATOM 0 HG SER A 95 16.544 10.252 -3.153 1.00 0.89 H new ATOM 383 N ASP A 96 11.621 8.088 -2.815 1.00 0.36 N ATOM 384 CA ASP A 96 10.174 8.233 -2.892 1.00 0.33 C ATOM 385 C ASP A 96 9.568 7.883 -1.548 1.00 0.26 C ATOM 386 O ASP A 96 10.212 7.241 -0.714 1.00 0.24 O ATOM 387 CB ASP A 96 9.569 7.338 -3.983 1.00 0.35 C ATOM 388 CG ASP A 96 9.913 7.796 -5.389 1.00 0.80 C ATOM 389 OD1 ASP A 96 10.077 9.018 -5.600 1.00 1.37 O ATOM 390 OD2 ASP A 96 10.031 6.939 -6.291 1.00 1.23 O ATOM 0 H ASP A 96 11.989 7.246 -3.257 1.00 0.36 H new ATOM 0 HA ASP A 96 9.948 9.267 -3.152 1.00 0.33 H new ATOM 0 HB2 ASP A 96 9.923 6.316 -3.844 1.00 0.35 H new ATOM 0 HB3 ASP A 96 8.485 7.319 -3.869 1.00 0.35 H new ATOM 395 N THR A 97 8.343 8.312 -1.326 1.00 0.28 N ATOM 396 CA THR A 97 7.678 8.045 -0.070 1.00 0.22 C ATOM 397 C THR A 97 6.581 7.016 -0.253 1.00 0.19 C ATOM 398 O THR A 97 6.057 6.840 -1.355 1.00 0.23 O ATOM 399 CB THR A 97 7.068 9.326 0.526 1.00 0.25 C ATOM 400 OG1 THR A 97 6.185 9.934 -0.426 1.00 0.32 O ATOM 401 CG2 THR A 97 8.154 10.313 0.919 1.00 0.31 C ATOM 0 H THR A 97 7.790 8.845 -1.997 1.00 0.28 H new ATOM 0 HA THR A 97 8.432 7.660 0.617 1.00 0.22 H new ATOM 0 HB THR A 97 6.509 9.053 1.421 1.00 0.25 H new ATOM 0 HG1 THR A 97 5.799 10.748 -0.040 1.00 0.32 H new ATOM 0 HG21 THR A 97 7.697 11.210 1.337 1.00 0.31 H new ATOM 0 HG22 THR A 97 8.807 9.858 1.663 1.00 0.31 H new ATOM 0 HG23 THR A 97 8.738 10.581 0.039 1.00 0.31 H new ATOM 409 N ILE A 98 6.241 6.338 0.831 1.00 0.17 N ATOM 410 CA ILE A 98 5.121 5.417 0.838 1.00 0.18 C ATOM 411 C ILE A 98 3.837 6.143 0.432 1.00 0.18 C ATOM 412 O ILE A 98 2.945 5.551 -0.165 1.00 0.20 O ATOM 413 CB ILE A 98 4.953 4.767 2.232 1.00 0.18 C ATOM 414 CG1 ILE A 98 6.157 3.879 2.562 1.00 0.19 C ATOM 415 CG2 ILE A 98 3.672 3.956 2.307 1.00 0.24 C ATOM 416 CD1 ILE A 98 6.316 2.695 1.630 1.00 0.22 C ATOM 0 H ILE A 98 6.730 6.411 1.723 1.00 0.17 H new ATOM 0 HA ILE A 98 5.322 4.627 0.115 1.00 0.18 H new ATOM 0 HB ILE A 98 4.894 5.569 2.968 1.00 0.18 H new ATOM 0 HG12 ILE A 98 7.063 4.483 2.525 1.00 0.19 H new ATOM 0 HG13 ILE A 98 6.059 3.514 3.584 1.00 0.19 H new ATOM 0 HG21 ILE A 98 3.581 3.511 3.298 1.00 0.24 H new ATOM 0 HG22 ILE A 98 2.818 4.607 2.121 1.00 0.24 H new ATOM 0 HG23 ILE A 98 3.697 3.167 1.556 1.00 0.24 H new ATOM 0 HD11 ILE A 98 7.189 2.113 1.926 1.00 0.22 H new ATOM 0 HD12 ILE A 98 5.426 2.067 1.684 1.00 0.22 H new ATOM 0 HD13 ILE A 98 6.447 3.051 0.608 1.00 0.22 H new ATOM 428 N LEU A 99 3.772 7.442 0.727 1.00 0.19 N ATOM 429 CA LEU A 99 2.609 8.260 0.396 1.00 0.21 C ATOM 430 C LEU A 99 2.386 8.291 -1.110 1.00 0.20 C ATOM 431 O LEU A 99 1.247 8.355 -1.571 1.00 0.21 O ATOM 432 CB LEU A 99 2.788 9.678 0.957 1.00 0.27 C ATOM 433 CG LEU A 99 1.548 10.579 0.903 1.00 0.36 C ATOM 434 CD1 LEU A 99 1.567 11.569 2.056 1.00 0.71 C ATOM 435 CD2 LEU A 99 1.477 11.330 -0.418 1.00 0.64 C ATOM 0 H LEU A 99 4.519 7.952 1.199 1.00 0.19 H new ATOM 0 HA LEU A 99 1.724 7.817 0.854 1.00 0.21 H new ATOM 0 HB2 LEU A 99 3.112 9.600 1.995 1.00 0.27 H new ATOM 0 HB3 LEU A 99 3.593 10.167 0.408 1.00 0.27 H new ATOM 0 HG LEU A 99 0.666 9.944 0.988 1.00 0.36 H new ATOM 0 HD11 LEU A 99 0.681 12.203 2.006 1.00 0.71 H new ATOM 0 HD12 LEU A 99 1.572 11.026 3.001 1.00 0.71 H new ATOM 0 HD13 LEU A 99 2.461 12.189 1.989 1.00 0.71 H new ATOM 0 HD21 LEU A 99 0.589 11.961 -0.430 1.00 0.64 H new ATOM 0 HD22 LEU A 99 2.365 11.951 -0.532 1.00 0.64 H new ATOM 0 HD23 LEU A 99 1.426 10.616 -1.240 1.00 0.64 H new ATOM 447 N GLN A 100 3.470 8.217 -1.875 1.00 0.20 N ATOM 448 CA GLN A 100 3.365 8.181 -3.327 1.00 0.21 C ATOM 449 C GLN A 100 2.648 6.906 -3.748 1.00 0.15 C ATOM 450 O GLN A 100 1.780 6.921 -4.624 1.00 0.13 O ATOM 451 CB GLN A 100 4.748 8.238 -3.982 1.00 0.29 C ATOM 452 CG GLN A 100 5.602 9.416 -3.539 1.00 0.39 C ATOM 453 CD GLN A 100 4.892 10.747 -3.674 1.00 0.45 C ATOM 454 OE1 GLN A 100 4.917 11.372 -4.732 1.00 0.70 O ATOM 455 NE2 GLN A 100 4.279 11.204 -2.591 1.00 0.53 N ATOM 0 H GLN A 100 4.424 8.181 -1.516 1.00 0.20 H new ATOM 0 HA GLN A 100 2.799 9.052 -3.656 1.00 0.21 H new ATOM 0 HB2 GLN A 100 5.281 7.314 -3.759 1.00 0.29 H new ATOM 0 HB3 GLN A 100 4.623 8.281 -5.064 1.00 0.29 H new ATOM 0 HG2 GLN A 100 5.898 9.272 -2.500 1.00 0.39 H new ATOM 0 HG3 GLN A 100 6.517 9.437 -4.131 1.00 0.39 H new ATOM 0 HE21 GLN A 100 4.282 10.653 -1.733 1.00 0.53 H new ATOM 0 HE22 GLN A 100 3.804 12.106 -2.616 1.00 0.53 H new ATOM 464 N ILE A 101 3.012 5.811 -3.091 1.00 0.13 N ATOM 465 CA ILE A 101 2.394 4.514 -3.328 1.00 0.12 C ATOM 466 C ILE A 101 0.937 4.537 -2.876 1.00 0.10 C ATOM 467 O ILE A 101 0.044 4.058 -3.574 1.00 0.11 O ATOM 468 CB ILE A 101 3.140 3.396 -2.565 1.00 0.15 C ATOM 469 CG1 ILE A 101 4.639 3.446 -2.872 1.00 0.17 C ATOM 470 CG2 ILE A 101 2.565 2.031 -2.923 1.00 0.20 C ATOM 471 CD1 ILE A 101 5.451 2.416 -2.116 1.00 0.21 C ATOM 0 H ILE A 101 3.743 5.798 -2.380 1.00 0.13 H new ATOM 0 HA ILE A 101 2.448 4.309 -4.397 1.00 0.12 H new ATOM 0 HB ILE A 101 3.003 3.557 -1.496 1.00 0.15 H new ATOM 0 HG12 ILE A 101 4.787 3.298 -3.942 1.00 0.17 H new ATOM 0 HG13 ILE A 101 5.017 4.440 -2.633 1.00 0.17 H new ATOM 0 HG21 ILE A 101 3.102 1.255 -2.377 1.00 0.20 H new ATOM 0 HG22 ILE A 101 1.509 1.999 -2.654 1.00 0.20 H new ATOM 0 HG23 ILE A 101 2.672 1.861 -3.994 1.00 0.20 H new ATOM 0 HD11 ILE A 101 6.503 2.513 -2.385 1.00 0.21 H new ATOM 0 HD12 ILE A 101 5.335 2.576 -1.044 1.00 0.21 H new ATOM 0 HD13 ILE A 101 5.101 1.416 -2.374 1.00 0.21 H new ATOM 483 N LYS A 102 0.718 5.117 -1.702 1.00 0.13 N ATOM 484 CA LYS A 102 -0.611 5.229 -1.117 1.00 0.17 C ATOM 485 C LYS A 102 -1.554 5.979 -2.047 1.00 0.15 C ATOM 486 O LYS A 102 -2.591 5.454 -2.453 1.00 0.17 O ATOM 487 CB LYS A 102 -0.538 5.957 0.223 1.00 0.28 C ATOM 488 CG LYS A 102 0.301 5.255 1.275 1.00 0.50 C ATOM 489 CD LYS A 102 -0.158 3.826 1.481 1.00 0.94 C ATOM 490 CE LYS A 102 0.377 3.246 2.779 1.00 0.81 C ATOM 491 NZ LYS A 102 -0.126 3.993 3.963 1.00 0.83 N ATOM 0 H LYS A 102 1.458 5.523 -1.129 1.00 0.13 H new ATOM 0 HA LYS A 102 -0.996 4.221 -0.965 1.00 0.17 H new ATOM 0 HB2 LYS A 102 -0.131 6.955 0.058 1.00 0.28 H new ATOM 0 HB3 LYS A 102 -1.550 6.085 0.609 1.00 0.28 H new ATOM 0 HG2 LYS A 102 1.348 5.263 0.973 1.00 0.50 H new ATOM 0 HG3 LYS A 102 0.237 5.799 2.217 1.00 0.50 H new ATOM 0 HD2 LYS A 102 -1.247 3.791 1.489 1.00 0.94 H new ATOM 0 HD3 LYS A 102 0.175 3.213 0.644 1.00 0.94 H new ATOM 0 HE2 LYS A 102 0.084 2.199 2.858 1.00 0.81 H new ATOM 0 HE3 LYS A 102 1.467 3.272 2.768 1.00 0.81 H new ATOM 0 HZ1 LYS A 102 0.219 3.538 4.832 1.00 0.83 H new ATOM 0 HZ2 LYS A 102 0.217 4.974 3.926 1.00 0.83 H new ATOM 0 HZ3 LYS A 102 -1.166 3.990 3.960 1.00 0.83 H new ATOM 505 N GLN A 103 -1.175 7.205 -2.390 1.00 0.14 N ATOM 506 CA GLN A 103 -1.969 8.038 -3.285 1.00 0.14 C ATOM 507 C GLN A 103 -2.127 7.383 -4.640 1.00 0.13 C ATOM 508 O GLN A 103 -3.088 7.650 -5.362 1.00 0.16 O ATOM 509 CB GLN A 103 -1.321 9.405 -3.454 1.00 0.17 C ATOM 510 CG GLN A 103 -1.475 10.296 -2.234 1.00 0.23 C ATOM 511 CD GLN A 103 -2.879 10.856 -2.106 1.00 0.33 C ATOM 512 OE1 GLN A 103 -3.577 11.048 -3.102 1.00 0.83 O ATOM 513 NE2 GLN A 103 -3.302 11.125 -0.883 1.00 0.45 N ATOM 0 H GLN A 103 -0.317 7.646 -2.059 1.00 0.14 H new ATOM 0 HA GLN A 103 -2.956 8.159 -2.838 1.00 0.14 H new ATOM 0 HB2 GLN A 103 -0.260 9.273 -3.668 1.00 0.17 H new ATOM 0 HB3 GLN A 103 -1.761 9.904 -4.318 1.00 0.17 H new ATOM 0 HG2 GLN A 103 -1.230 9.727 -1.337 1.00 0.23 H new ATOM 0 HG3 GLN A 103 -0.762 11.118 -2.295 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -2.693 10.952 -0.083 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -4.237 11.506 -0.739 1.00 0.45 H new ATOM 522 N HIS A 104 -1.197 6.507 -4.976 1.00 0.12 N ATOM 523 CA HIS A 104 -1.247 5.830 -6.259 1.00 0.12 C ATOM 524 C HIS A 104 -2.361 4.805 -6.231 1.00 0.12 C ATOM 525 O HIS A 104 -3.182 4.742 -7.140 1.00 0.18 O ATOM 526 CB HIS A 104 0.078 5.146 -6.600 1.00 0.14 C ATOM 527 CG HIS A 104 0.227 4.840 -8.062 1.00 0.22 C ATOM 528 ND1 HIS A 104 -0.387 3.772 -8.690 1.00 1.21 N ATOM 529 CD2 HIS A 104 0.915 5.490 -9.029 1.00 0.98 C ATOM 530 CE1 HIS A 104 -0.081 3.785 -9.973 1.00 0.95 C ATOM 531 NE2 HIS A 104 0.707 4.816 -10.204 1.00 0.54 N ATOM 0 H HIS A 104 -0.406 6.250 -4.385 1.00 0.12 H new ATOM 0 HA HIS A 104 -1.434 6.577 -7.031 1.00 0.12 H new ATOM 0 HB2 HIS A 104 0.902 5.786 -6.284 1.00 0.14 H new ATOM 0 HB3 HIS A 104 0.158 4.219 -6.032 1.00 0.14 H new ATOM 0 HD1 HIS A 104 -0.983 3.082 -8.233 1.00 1.21 H new ATOM 0 HD2 HIS A 104 1.517 6.377 -8.899 1.00 0.98 H new ATOM 0 HE1 HIS A 104 -0.419 3.071 -10.710 1.00 0.95 H new ATOM 540 N LEU A 105 -2.404 4.029 -5.158 1.00 0.11 N ATOM 541 CA LEU A 105 -3.437 3.023 -4.984 1.00 0.12 C ATOM 542 C LEU A 105 -4.806 3.686 -4.863 1.00 0.13 C ATOM 543 O LEU A 105 -5.804 3.168 -5.364 1.00 0.18 O ATOM 544 CB LEU A 105 -3.135 2.154 -3.762 1.00 0.13 C ATOM 545 CG LEU A 105 -1.812 1.380 -3.832 1.00 0.14 C ATOM 546 CD1 LEU A 105 -1.658 0.462 -2.631 1.00 0.17 C ATOM 547 CD2 LEU A 105 -1.725 0.582 -5.125 1.00 0.18 C ATOM 0 H LEU A 105 -1.732 4.079 -4.393 1.00 0.11 H new ATOM 0 HA LEU A 105 -3.450 2.376 -5.861 1.00 0.12 H new ATOM 0 HB2 LEU A 105 -3.121 2.790 -2.877 1.00 0.13 H new ATOM 0 HB3 LEU A 105 -3.950 1.442 -3.630 1.00 0.13 H new ATOM 0 HG LEU A 105 -0.997 2.103 -3.816 1.00 0.14 H new ATOM 0 HD11 LEU A 105 -0.713 -0.076 -2.703 1.00 0.17 H new ATOM 0 HD12 LEU A 105 -1.669 1.055 -1.716 1.00 0.17 H new ATOM 0 HD13 LEU A 105 -2.481 -0.252 -2.611 1.00 0.17 H new ATOM 0 HD21 LEU A 105 -0.780 0.040 -5.155 1.00 0.18 H new ATOM 0 HD22 LEU A 105 -2.551 -0.127 -5.171 1.00 0.18 H new ATOM 0 HD23 LEU A 105 -1.782 1.261 -5.976 1.00 0.18 H new ATOM 559 N ILE A 106 -4.849 4.843 -4.213 1.00 0.11 N ATOM 560 CA ILE A 106 -6.066 5.642 -4.159 1.00 0.13 C ATOM 561 C ILE A 106 -6.509 6.038 -5.565 1.00 0.14 C ATOM 562 O ILE A 106 -7.673 5.875 -5.932 1.00 0.17 O ATOM 563 CB ILE A 106 -5.865 6.927 -3.333 1.00 0.13 C ATOM 564 CG1 ILE A 106 -5.457 6.586 -1.902 1.00 0.14 C ATOM 565 CG2 ILE A 106 -7.135 7.771 -3.339 1.00 0.16 C ATOM 566 CD1 ILE A 106 -5.125 7.804 -1.072 1.00 0.15 C ATOM 0 H ILE A 106 -4.055 5.248 -3.716 1.00 0.11 H new ATOM 0 HA ILE A 106 -6.829 5.027 -3.682 1.00 0.13 H new ATOM 0 HB ILE A 106 -5.064 7.507 -3.790 1.00 0.13 H new ATOM 0 HG12 ILE A 106 -6.266 6.036 -1.421 1.00 0.14 H new ATOM 0 HG13 ILE A 106 -4.592 5.923 -1.926 1.00 0.14 H new ATOM 0 HG21 ILE A 106 -6.974 8.674 -2.751 1.00 0.16 H new ATOM 0 HG22 ILE A 106 -7.385 8.045 -4.364 1.00 0.16 H new ATOM 0 HG23 ILE A 106 -7.955 7.198 -2.907 1.00 0.16 H new ATOM 0 HD11 ILE A 106 -4.843 7.493 -0.066 1.00 0.15 H new ATOM 0 HD12 ILE A 106 -4.296 8.342 -1.531 1.00 0.15 H new ATOM 0 HD13 ILE A 106 -5.996 8.457 -1.019 1.00 0.15 H new ATOM 578 N SER A 107 -5.564 6.538 -6.353 1.00 0.13 N ATOM 579 CA SER A 107 -5.869 7.059 -7.678 1.00 0.17 C ATOM 580 C SER A 107 -6.296 5.945 -8.639 1.00 0.18 C ATOM 581 O SER A 107 -6.992 6.199 -9.620 1.00 0.27 O ATOM 582 CB SER A 107 -4.661 7.824 -8.233 1.00 0.23 C ATOM 583 OG SER A 107 -3.553 6.968 -8.454 1.00 0.61 O ATOM 0 H SER A 107 -4.579 6.593 -6.096 1.00 0.13 H new ATOM 0 HA SER A 107 -6.710 7.746 -7.585 1.00 0.17 H new ATOM 0 HB2 SER A 107 -4.937 8.310 -9.169 1.00 0.23 H new ATOM 0 HB3 SER A 107 -4.378 8.612 -7.535 1.00 0.23 H new ATOM 0 HG SER A 107 -3.604 6.203 -7.844 1.00 0.61 H new ATOM 589 N GLU A 108 -5.891 4.711 -8.354 1.00 0.16 N ATOM 590 CA GLU A 108 -6.264 3.581 -9.199 1.00 0.17 C ATOM 591 C GLU A 108 -7.405 2.777 -8.575 1.00 0.17 C ATOM 592 O GLU A 108 -7.634 1.623 -8.938 1.00 0.21 O ATOM 593 CB GLU A 108 -5.052 2.685 -9.482 1.00 0.20 C ATOM 594 CG GLU A 108 -4.300 2.252 -8.238 1.00 0.22 C ATOM 595 CD GLU A 108 -3.169 1.293 -8.542 1.00 0.28 C ATOM 596 OE1 GLU A 108 -3.456 0.143 -8.941 1.00 0.35 O ATOM 597 OE2 GLU A 108 -1.993 1.686 -8.383 1.00 0.42 O ATOM 0 H GLU A 108 -5.310 4.469 -7.552 1.00 0.16 H new ATOM 0 HA GLU A 108 -6.619 3.979 -10.150 1.00 0.17 H new ATOM 0 HB2 GLU A 108 -5.387 1.797 -10.019 1.00 0.20 H new ATOM 0 HB3 GLU A 108 -4.366 3.217 -10.142 1.00 0.20 H new ATOM 0 HG2 GLU A 108 -3.899 3.133 -7.736 1.00 0.22 H new ATOM 0 HG3 GLU A 108 -4.995 1.779 -7.545 1.00 0.22 H new ATOM 604 N GLU A 109 -8.112 3.408 -7.635 1.00 0.16 N ATOM 605 CA GLU A 109 -9.313 2.837 -7.015 1.00 0.19 C ATOM 606 C GLU A 109 -9.025 1.537 -6.261 1.00 0.20 C ATOM 607 O GLU A 109 -9.897 0.677 -6.127 1.00 0.30 O ATOM 608 CB GLU A 109 -10.402 2.600 -8.064 1.00 0.24 C ATOM 609 CG GLU A 109 -10.921 3.877 -8.700 1.00 0.31 C ATOM 610 CD GLU A 109 -11.973 3.612 -9.753 1.00 1.02 C ATOM 611 OE1 GLU A 109 -13.157 3.452 -9.391 1.00 0.95 O ATOM 612 OE2 GLU A 109 -11.622 3.565 -10.952 1.00 1.86 O ATOM 0 H GLU A 109 -7.868 4.333 -7.280 1.00 0.16 H new ATOM 0 HA GLU A 109 -9.663 3.567 -6.285 1.00 0.19 H new ATOM 0 HB2 GLU A 109 -10.008 1.949 -8.845 1.00 0.24 H new ATOM 0 HB3 GLU A 109 -11.234 2.071 -7.599 1.00 0.24 H new ATOM 0 HG2 GLU A 109 -11.340 4.520 -7.926 1.00 0.31 H new ATOM 0 HG3 GLU A 109 -10.089 4.419 -9.150 1.00 0.31 H new ATOM 619 N LYS A 110 -7.810 1.408 -5.758 1.00 0.15 N ATOM 620 CA LYS A 110 -7.430 0.239 -4.978 1.00 0.17 C ATOM 621 C LYS A 110 -7.740 0.464 -3.502 1.00 0.19 C ATOM 622 O LYS A 110 -7.918 -0.490 -2.740 1.00 0.27 O ATOM 623 CB LYS A 110 -5.939 -0.058 -5.155 1.00 0.21 C ATOM 624 CG LYS A 110 -5.548 -0.505 -6.553 1.00 0.23 C ATOM 625 CD LYS A 110 -6.158 -1.843 -6.926 1.00 0.23 C ATOM 626 CE LYS A 110 -5.673 -2.305 -8.293 1.00 0.36 C ATOM 627 NZ LYS A 110 -5.766 -1.223 -9.313 1.00 1.22 N ATOM 0 H LYS A 110 -7.068 2.098 -5.875 1.00 0.15 H new ATOM 0 HA LYS A 110 -8.006 -0.615 -5.335 1.00 0.17 H new ATOM 0 HB2 LYS A 110 -5.370 0.837 -4.901 1.00 0.21 H new ATOM 0 HB3 LYS A 110 -5.649 -0.832 -4.445 1.00 0.21 H new ATOM 0 HG2 LYS A 110 -5.864 0.249 -7.274 1.00 0.23 H new ATOM 0 HG3 LYS A 110 -4.462 -0.573 -6.619 1.00 0.23 H new ATOM 0 HD2 LYS A 110 -5.897 -2.587 -6.174 1.00 0.23 H new ATOM 0 HD3 LYS A 110 -7.245 -1.762 -6.931 1.00 0.23 H new ATOM 0 HE2 LYS A 110 -4.640 -2.643 -8.216 1.00 0.36 H new ATOM 0 HE3 LYS A 110 -6.265 -3.161 -8.617 1.00 0.36 H new ATOM 0 HZ1 LYS A 110 -5.793 -1.644 -10.264 1.00 1.22 H new ATOM 0 HZ2 LYS A 110 -6.632 -0.670 -9.154 1.00 1.22 H new ATOM 0 HZ3 LYS A 110 -4.938 -0.599 -9.234 1.00 1.22 H new ATOM 641 N ALA A 111 -7.812 1.730 -3.108 1.00 0.16 N ATOM 642 CA ALA A 111 -8.063 2.085 -1.720 1.00 0.18 C ATOM 643 C ALA A 111 -8.775 3.427 -1.612 1.00 0.19 C ATOM 644 O ALA A 111 -8.855 4.177 -2.586 1.00 0.29 O ATOM 645 CB ALA A 111 -6.761 2.129 -0.945 1.00 0.20 C ATOM 0 H ALA A 111 -7.700 2.528 -3.733 1.00 0.16 H new ATOM 0 HA ALA A 111 -8.711 1.320 -1.293 1.00 0.18 H new ATOM 0 HB1 ALA A 111 -6.964 2.396 0.092 1.00 0.20 H new ATOM 0 HB2 ALA A 111 -6.283 1.150 -0.981 1.00 0.20 H new ATOM 0 HB3 ALA A 111 -6.099 2.873 -1.388 1.00 0.20 H new ATOM 651 N SER A 112 -9.278 3.722 -0.421 1.00 0.21 N ATOM 652 CA SER A 112 -9.992 4.964 -0.172 1.00 0.23 C ATOM 653 C SER A 112 -9.032 6.094 0.202 1.00 0.21 C ATOM 654 O SER A 112 -9.026 7.149 -0.432 1.00 0.26 O ATOM 655 CB SER A 112 -11.019 4.750 0.940 1.00 0.29 C ATOM 656 OG SER A 112 -11.996 3.799 0.549 1.00 1.23 O ATOM 0 H SER A 112 -9.203 3.112 0.393 1.00 0.21 H new ATOM 0 HA SER A 112 -10.504 5.256 -1.089 1.00 0.23 H new ATOM 0 HB2 SER A 112 -10.516 4.410 1.845 1.00 0.29 H new ATOM 0 HB3 SER A 112 -11.503 5.697 1.181 1.00 0.29 H new ATOM 0 HG SER A 112 -12.889 4.196 0.627 1.00 1.23 H new ATOM 662 N HIS A 113 -8.224 5.874 1.232 1.00 0.16 N ATOM 663 CA HIS A 113 -7.284 6.892 1.688 1.00 0.16 C ATOM 664 C HIS A 113 -5.902 6.288 1.919 1.00 0.14 C ATOM 665 O HIS A 113 -5.757 5.065 1.925 1.00 0.15 O ATOM 666 CB HIS A 113 -7.771 7.569 2.975 1.00 0.21 C ATOM 667 CG HIS A 113 -9.078 8.294 2.848 1.00 0.44 C ATOM 668 ND1 HIS A 113 -10.279 7.761 3.267 1.00 1.47 N ATOM 669 CD2 HIS A 113 -9.367 9.522 2.359 1.00 0.75 C ATOM 670 CE1 HIS A 113 -11.247 8.627 3.036 1.00 1.47 C ATOM 671 NE2 HIS A 113 -10.722 9.704 2.487 1.00 0.73 N ATOM 0 H HIS A 113 -8.200 5.005 1.765 1.00 0.16 H new ATOM 0 HA HIS A 113 -7.219 7.646 0.904 1.00 0.16 H new ATOM 0 HB2 HIS A 113 -7.865 6.812 3.754 1.00 0.21 H new ATOM 0 HB3 HIS A 113 -7.010 8.275 3.308 1.00 0.21 H new ATOM 0 HD2 HIS A 113 -8.663 10.228 1.945 1.00 0.75 H new ATOM 0 HE1 HIS A 113 -12.293 8.478 3.259 1.00 1.47 H new ATOM 0 HE2 HIS A 113 -11.238 10.537 2.203 1.00 0.73 H new ATOM 680 N ILE A 114 -4.901 7.138 2.120 1.00 0.15 N ATOM 681 CA ILE A 114 -3.513 6.688 2.230 1.00 0.17 C ATOM 682 C ILE A 114 -3.313 5.684 3.378 1.00 0.16 C ATOM 683 O ILE A 114 -2.708 4.628 3.189 1.00 0.26 O ATOM 684 CB ILE A 114 -2.539 7.881 2.415 1.00 0.18 C ATOM 685 CG1 ILE A 114 -2.956 8.767 3.597 1.00 0.18 C ATOM 686 CG2 ILE A 114 -2.463 8.704 1.137 1.00 0.22 C ATOM 687 CD1 ILE A 114 -2.041 9.951 3.821 1.00 0.23 C ATOM 0 H ILE A 114 -5.023 8.147 2.211 1.00 0.15 H new ATOM 0 HA ILE A 114 -3.286 6.184 1.290 1.00 0.17 H new ATOM 0 HB ILE A 114 -1.551 7.475 2.635 1.00 0.18 H new ATOM 0 HG12 ILE A 114 -3.970 9.129 3.428 1.00 0.18 H new ATOM 0 HG13 ILE A 114 -2.981 8.161 4.503 1.00 0.18 H new ATOM 0 HG21 ILE A 114 -1.776 9.538 1.281 1.00 0.22 H new ATOM 0 HG22 ILE A 114 -2.105 8.076 0.321 1.00 0.22 H new ATOM 0 HG23 ILE A 114 -3.453 9.088 0.892 1.00 0.22 H new ATOM 0 HD11 ILE A 114 -2.398 10.531 4.672 1.00 0.23 H new ATOM 0 HD12 ILE A 114 -1.030 9.597 4.022 1.00 0.23 H new ATOM 0 HD13 ILE A 114 -2.035 10.580 2.931 1.00 0.23 H new ATOM 699 N SER A 115 -3.838 6.001 4.556 1.00 0.14 N ATOM 700 CA SER A 115 -3.606 5.187 5.746 1.00 0.20 C ATOM 701 C SER A 115 -4.574 4.003 5.828 1.00 0.18 C ATOM 702 O SER A 115 -4.444 3.147 6.707 1.00 0.27 O ATOM 703 CB SER A 115 -3.713 6.055 7.000 1.00 0.29 C ATOM 704 OG SER A 115 -2.960 7.250 6.852 1.00 1.50 O ATOM 0 H SER A 115 -4.429 6.817 4.714 1.00 0.14 H new ATOM 0 HA SER A 115 -2.599 4.775 5.677 1.00 0.20 H new ATOM 0 HB2 SER A 115 -4.758 6.300 7.190 1.00 0.29 H new ATOM 0 HB3 SER A 115 -3.353 5.498 7.865 1.00 0.29 H new ATOM 0 HG SER A 115 -3.043 7.792 7.664 1.00 1.50 H new ATOM 710 N GLU A 116 -5.536 3.947 4.903 1.00 0.14 N ATOM 711 CA GLU A 116 -6.429 2.788 4.791 1.00 0.13 C ATOM 712 C GLU A 116 -5.667 1.637 4.147 1.00 0.11 C ATOM 713 O GLU A 116 -6.165 0.510 4.021 1.00 0.15 O ATOM 714 CB GLU A 116 -7.660 3.135 3.956 1.00 0.20 C ATOM 715 CG GLU A 116 -8.464 4.295 4.516 1.00 0.36 C ATOM 716 CD GLU A 116 -9.022 4.017 5.895 1.00 0.47 C ATOM 717 OE1 GLU A 116 -10.106 3.406 5.992 1.00 0.53 O ATOM 718 OE2 GLU A 116 -8.373 4.399 6.889 1.00 0.80 O ATOM 0 H GLU A 116 -5.717 4.686 4.224 1.00 0.14 H new ATOM 0 HA GLU A 116 -6.766 2.497 5.786 1.00 0.13 H new ATOM 0 HB2 GLU A 116 -7.344 3.378 2.941 1.00 0.20 H new ATOM 0 HB3 GLU A 116 -8.303 2.257 3.888 1.00 0.20 H new ATOM 0 HG2 GLU A 116 -7.831 5.182 4.558 1.00 0.36 H new ATOM 0 HG3 GLU A 116 -9.286 4.522 3.837 1.00 0.36 H new ATOM 725 N ILE A 117 -4.464 1.978 3.715 1.00 0.11 N ATOM 726 CA ILE A 117 -3.504 1.035 3.193 1.00 0.12 C ATOM 727 C ILE A 117 -2.419 0.817 4.233 1.00 0.16 C ATOM 728 O ILE A 117 -1.665 1.740 4.545 1.00 0.26 O ATOM 729 CB ILE A 117 -2.843 1.593 1.919 1.00 0.12 C ATOM 730 CG1 ILE A 117 -3.901 1.989 0.892 1.00 0.12 C ATOM 731 CG2 ILE A 117 -1.866 0.587 1.327 1.00 0.16 C ATOM 732 CD1 ILE A 117 -3.367 2.881 -0.207 1.00 0.14 C ATOM 0 H ILE A 117 -4.126 2.940 3.720 1.00 0.11 H new ATOM 0 HA ILE A 117 -4.016 0.102 2.959 1.00 0.12 H new ATOM 0 HB ILE A 117 -2.281 2.486 2.193 1.00 0.12 H new ATOM 0 HG12 ILE A 117 -4.320 1.087 0.446 1.00 0.12 H new ATOM 0 HG13 ILE A 117 -4.717 2.501 1.401 1.00 0.12 H new ATOM 0 HG21 ILE A 117 -1.413 1.005 0.428 1.00 0.16 H new ATOM 0 HG22 ILE A 117 -1.087 0.364 2.056 1.00 0.16 H new ATOM 0 HG23 ILE A 117 -2.398 -0.330 1.072 1.00 0.16 H new ATOM 0 HD11 ILE A 117 -4.171 3.124 -0.902 1.00 0.14 H new ATOM 0 HD12 ILE A 117 -2.974 3.800 0.229 1.00 0.14 H new ATOM 0 HD13 ILE A 117 -2.570 2.363 -0.741 1.00 0.14 H new ATOM 744 N LYS A 118 -2.349 -0.370 4.793 1.00 0.20 N ATOM 745 CA LYS A 118 -1.307 -0.674 5.752 1.00 0.26 C ATOM 746 C LYS A 118 -0.195 -1.445 5.052 1.00 0.17 C ATOM 747 O LYS A 118 -0.394 -2.576 4.630 1.00 0.19 O ATOM 748 CB LYS A 118 -1.884 -1.507 6.903 1.00 0.41 C ATOM 749 CG LYS A 118 -1.272 -1.225 8.272 1.00 0.53 C ATOM 750 CD LYS A 118 0.225 -1.492 8.310 1.00 0.35 C ATOM 751 CE LYS A 118 1.020 -0.199 8.352 1.00 0.71 C ATOM 752 NZ LYS A 118 0.710 0.600 9.567 1.00 1.01 N ATOM 0 H LYS A 118 -2.995 -1.136 4.604 1.00 0.20 H new ATOM 0 HA LYS A 118 -0.903 0.252 6.161 1.00 0.26 H new ATOM 0 HB2 LYS A 118 -2.958 -1.329 6.958 1.00 0.41 H new ATOM 0 HB3 LYS A 118 -1.748 -2.563 6.671 1.00 0.41 H new ATOM 0 HG2 LYS A 118 -1.459 -0.186 8.542 1.00 0.53 H new ATOM 0 HG3 LYS A 118 -1.767 -1.843 9.021 1.00 0.53 H new ATOM 0 HD2 LYS A 118 0.466 -2.097 9.184 1.00 0.35 H new ATOM 0 HD3 LYS A 118 0.515 -2.070 7.433 1.00 0.35 H new ATOM 0 HE2 LYS A 118 2.086 -0.427 8.329 1.00 0.71 H new ATOM 0 HE3 LYS A 118 0.801 0.392 7.463 1.00 0.71 H new ATOM 0 HZ1 LYS A 118 1.427 1.344 9.686 1.00 1.01 H new ATOM 0 HZ2 LYS A 118 -0.228 1.037 9.465 1.00 1.01 H new ATOM 0 HZ3 LYS A 118 0.714 -0.021 10.401 1.00 1.01 H new ATOM 766 N LEU A 119 0.968 -0.836 4.933 1.00 0.20 N ATOM 767 CA LEU A 119 2.104 -1.500 4.319 1.00 0.19 C ATOM 768 C LEU A 119 3.074 -1.981 5.386 1.00 0.17 C ATOM 769 O LEU A 119 3.414 -1.240 6.310 1.00 0.19 O ATOM 770 CB LEU A 119 2.803 -0.570 3.319 1.00 0.27 C ATOM 771 CG LEU A 119 2.131 -0.466 1.944 1.00 0.26 C ATOM 772 CD1 LEU A 119 2.821 0.577 1.081 1.00 0.69 C ATOM 773 CD2 LEU A 119 2.157 -1.813 1.247 1.00 0.73 C ATOM 0 H LEU A 119 1.153 0.115 5.252 1.00 0.20 H new ATOM 0 HA LEU A 119 1.742 -2.369 3.769 1.00 0.19 H new ATOM 0 HB2 LEU A 119 2.860 0.428 3.754 1.00 0.27 H new ATOM 0 HB3 LEU A 119 3.827 -0.916 3.180 1.00 0.27 H new ATOM 0 HG LEU A 119 1.096 -0.159 2.093 1.00 0.26 H new ATOM 0 HD11 LEU A 119 2.326 0.632 0.111 1.00 0.69 H new ATOM 0 HD12 LEU A 119 2.767 1.549 1.572 1.00 0.69 H new ATOM 0 HD13 LEU A 119 3.866 0.299 0.940 1.00 0.69 H new ATOM 0 HD21 LEU A 119 1.677 -1.727 0.272 1.00 0.73 H new ATOM 0 HD22 LEU A 119 3.190 -2.135 1.116 1.00 0.73 H new ATOM 0 HD23 LEU A 119 1.622 -2.546 1.851 1.00 0.73 H new ATOM 785 N LEU A 120 3.479 -3.236 5.278 1.00 0.16 N ATOM 786 CA LEU A 120 4.426 -3.820 6.214 1.00 0.15 C ATOM 787 C LEU A 120 5.499 -4.583 5.455 1.00 0.18 C ATOM 788 O LEU A 120 5.216 -5.229 4.444 1.00 0.23 O ATOM 789 CB LEU A 120 3.731 -4.775 7.200 1.00 0.17 C ATOM 790 CG LEU A 120 2.453 -4.248 7.861 1.00 0.18 C ATOM 791 CD1 LEU A 120 1.232 -4.582 7.013 1.00 0.21 C ATOM 792 CD2 LEU A 120 2.300 -4.818 9.261 1.00 0.22 C ATOM 0 H LEU A 120 3.164 -3.873 4.547 1.00 0.16 H new ATOM 0 HA LEU A 120 4.875 -3.005 6.782 1.00 0.15 H new ATOM 0 HB2 LEU A 120 3.489 -5.697 6.672 1.00 0.17 H new ATOM 0 HB3 LEU A 120 4.441 -5.034 7.985 1.00 0.17 H new ATOM 0 HG LEU A 120 2.532 -3.164 7.938 1.00 0.18 H new ATOM 0 HD11 LEU A 120 0.335 -4.199 7.500 1.00 0.21 H new ATOM 0 HD12 LEU A 120 1.335 -4.123 6.030 1.00 0.21 H new ATOM 0 HD13 LEU A 120 1.151 -5.663 6.902 1.00 0.21 H new ATOM 0 HD21 LEU A 120 1.387 -4.432 9.713 1.00 0.22 H new ATOM 0 HD22 LEU A 120 2.247 -5.905 9.207 1.00 0.22 H new ATOM 0 HD23 LEU A 120 3.157 -4.526 9.868 1.00 0.22 H new ATOM 804 N LEU A 121 6.723 -4.512 5.945 1.00 0.19 N ATOM 805 CA LEU A 121 7.818 -5.259 5.360 1.00 0.25 C ATOM 806 C LEU A 121 8.310 -6.301 6.352 1.00 0.33 C ATOM 807 O LEU A 121 9.072 -5.991 7.270 1.00 0.37 O ATOM 808 CB LEU A 121 8.962 -4.312 4.972 1.00 0.29 C ATOM 809 CG LEU A 121 10.265 -4.990 4.531 1.00 0.53 C ATOM 810 CD1 LEU A 121 10.052 -5.827 3.278 1.00 1.36 C ATOM 811 CD2 LEU A 121 11.350 -3.949 4.300 1.00 1.18 C ATOM 0 H LEU A 121 6.983 -3.942 6.750 1.00 0.19 H new ATOM 0 HA LEU A 121 7.467 -5.761 4.458 1.00 0.25 H new ATOM 0 HB2 LEU A 121 8.617 -3.668 4.163 1.00 0.29 H new ATOM 0 HB3 LEU A 121 9.180 -3.667 5.823 1.00 0.29 H new ATOM 0 HG LEU A 121 10.586 -5.659 5.329 1.00 0.53 H new ATOM 0 HD11 LEU A 121 10.993 -6.295 2.989 1.00 1.36 H new ATOM 0 HD12 LEU A 121 9.309 -6.599 3.478 1.00 1.36 H new ATOM 0 HD13 LEU A 121 9.702 -5.187 2.468 1.00 1.36 H new ATOM 0 HD21 LEU A 121 12.269 -4.445 3.987 1.00 1.18 H new ATOM 0 HD22 LEU A 121 11.029 -3.256 3.523 1.00 1.18 H new ATOM 0 HD23 LEU A 121 11.530 -3.400 5.224 1.00 1.18 H new ATOM 823 N LYS A 122 7.857 -7.537 6.156 1.00 0.43 N ATOM 824 CA LYS A 122 8.252 -8.661 7.002 1.00 0.54 C ATOM 825 C LYS A 122 8.014 -8.351 8.481 1.00 0.44 C ATOM 826 O LYS A 122 8.846 -8.646 9.341 1.00 0.52 O ATOM 827 CB LYS A 122 9.717 -9.019 6.742 1.00 0.71 C ATOM 828 CG LYS A 122 9.977 -9.456 5.309 1.00 1.20 C ATOM 829 CD LYS A 122 11.453 -9.710 5.052 1.00 1.39 C ATOM 830 CE LYS A 122 11.689 -10.189 3.627 1.00 2.05 C ATOM 831 NZ LYS A 122 11.034 -11.497 3.364 1.00 2.47 N ATOM 0 H LYS A 122 7.208 -7.787 5.410 1.00 0.43 H new ATOM 0 HA LYS A 122 7.633 -9.521 6.748 1.00 0.54 H new ATOM 0 HB2 LYS A 122 10.342 -8.156 6.972 1.00 0.71 H new ATOM 0 HB3 LYS A 122 10.016 -9.819 7.420 1.00 0.71 H new ATOM 0 HG2 LYS A 122 9.411 -10.363 5.098 1.00 1.20 H new ATOM 0 HG3 LYS A 122 9.616 -8.688 4.624 1.00 1.20 H new ATOM 0 HD2 LYS A 122 12.018 -8.795 5.229 1.00 1.39 H new ATOM 0 HD3 LYS A 122 11.824 -10.455 5.755 1.00 1.39 H new ATOM 0 HE2 LYS A 122 11.308 -9.445 2.927 1.00 2.05 H new ATOM 0 HE3 LYS A 122 12.760 -10.277 3.447 1.00 2.05 H new ATOM 0 HZ1 LYS A 122 11.418 -11.908 2.489 1.00 2.47 H new ATOM 0 HZ2 LYS A 122 11.216 -12.142 4.159 1.00 2.47 H new ATOM 0 HZ3 LYS A 122 10.009 -11.357 3.260 1.00 2.47 H new ATOM 845 N GLY A 123 6.868 -7.741 8.760 1.00 0.36 N ATOM 846 CA GLY A 123 6.504 -7.409 10.122 1.00 0.39 C ATOM 847 C GLY A 123 6.768 -5.956 10.462 1.00 0.35 C ATOM 848 O GLY A 123 6.163 -5.409 11.385 1.00 0.47 O ATOM 0 H GLY A 123 6.179 -7.469 8.059 1.00 0.36 H new ATOM 0 HA2 GLY A 123 5.447 -7.627 10.274 1.00 0.39 H new ATOM 0 HA3 GLY A 123 7.063 -8.045 10.808 1.00 0.39 H new ATOM 852 N LYS A 124 7.660 -5.324 9.711 1.00 0.26 N ATOM 853 CA LYS A 124 8.011 -3.931 9.949 1.00 0.29 C ATOM 854 C LYS A 124 6.909 -3.007 9.444 1.00 0.23 C ATOM 855 O LYS A 124 6.615 -2.971 8.252 1.00 0.21 O ATOM 856 CB LYS A 124 9.342 -3.586 9.271 1.00 0.37 C ATOM 857 CG LYS A 124 9.738 -2.121 9.395 1.00 0.46 C ATOM 858 CD LYS A 124 9.856 -1.693 10.847 1.00 0.53 C ATOM 859 CE LYS A 124 10.242 -0.227 10.967 1.00 1.36 C ATOM 860 NZ LYS A 124 10.411 0.188 12.383 1.00 1.94 N ATOM 0 H LYS A 124 8.155 -5.755 8.930 1.00 0.26 H new ATOM 0 HA LYS A 124 8.121 -3.787 11.024 1.00 0.29 H new ATOM 0 HB2 LYS A 124 10.129 -4.203 9.704 1.00 0.37 H new ATOM 0 HB3 LYS A 124 9.278 -3.846 8.215 1.00 0.37 H new ATOM 0 HG2 LYS A 124 10.689 -1.957 8.889 1.00 0.46 H new ATOM 0 HG3 LYS A 124 8.997 -1.500 8.891 1.00 0.46 H new ATOM 0 HD2 LYS A 124 8.907 -1.863 11.356 1.00 0.53 H new ATOM 0 HD3 LYS A 124 10.602 -2.309 11.349 1.00 0.53 H new ATOM 0 HE2 LYS A 124 11.170 -0.051 10.424 1.00 1.36 H new ATOM 0 HE3 LYS A 124 9.476 0.390 10.497 1.00 1.36 H new ATOM 0 HZ1 LYS A 124 10.674 1.194 12.421 1.00 1.94 H new ATOM 0 HZ2 LYS A 124 9.518 0.044 12.896 1.00 1.94 H new ATOM 0 HZ3 LYS A 124 11.160 -0.383 12.825 1.00 1.94 H new ATOM 874 N VAL A 125 6.300 -2.275 10.363 1.00 0.24 N ATOM 875 CA VAL A 125 5.258 -1.322 10.022 1.00 0.21 C ATOM 876 C VAL A 125 5.830 -0.150 9.229 1.00 0.22 C ATOM 877 O VAL A 125 6.725 0.554 9.700 1.00 0.30 O ATOM 878 CB VAL A 125 4.548 -0.799 11.293 1.00 0.24 C ATOM 879 CG1 VAL A 125 3.678 0.414 10.991 1.00 0.26 C ATOM 880 CG2 VAL A 125 3.709 -1.903 11.918 1.00 0.27 C ATOM 0 H VAL A 125 6.513 -2.324 11.359 1.00 0.24 H new ATOM 0 HA VAL A 125 4.527 -1.841 9.402 1.00 0.21 H new ATOM 0 HB VAL A 125 5.318 -0.489 11.999 1.00 0.24 H new ATOM 0 HG11 VAL A 125 3.196 0.753 11.908 1.00 0.26 H new ATOM 0 HG12 VAL A 125 4.298 1.216 10.589 1.00 0.26 H new ATOM 0 HG13 VAL A 125 2.917 0.143 10.259 1.00 0.26 H new ATOM 0 HG21 VAL A 125 3.214 -1.522 12.812 1.00 0.27 H new ATOM 0 HG22 VAL A 125 2.958 -2.239 11.203 1.00 0.27 H new ATOM 0 HG23 VAL A 125 4.352 -2.740 12.188 1.00 0.27 H new ATOM 890 N LEU A 126 5.327 0.034 8.020 1.00 0.20 N ATOM 891 CA LEU A 126 5.719 1.159 7.188 1.00 0.22 C ATOM 892 C LEU A 126 4.688 2.270 7.343 1.00 0.24 C ATOM 893 O LEU A 126 3.487 2.020 7.243 1.00 0.31 O ATOM 894 CB LEU A 126 5.822 0.725 5.720 1.00 0.22 C ATOM 895 CG LEU A 126 6.628 -0.556 5.470 1.00 0.22 C ATOM 896 CD1 LEU A 126 6.678 -0.877 3.985 1.00 0.30 C ATOM 897 CD2 LEU A 126 8.034 -0.433 6.031 1.00 0.23 C ATOM 0 H LEU A 126 4.641 -0.587 7.590 1.00 0.20 H new ATOM 0 HA LEU A 126 6.697 1.524 7.502 1.00 0.22 H new ATOM 0 HB2 LEU A 126 4.815 0.583 5.329 1.00 0.22 H new ATOM 0 HB3 LEU A 126 6.274 1.536 5.149 1.00 0.22 H new ATOM 0 HG LEU A 126 6.125 -1.374 5.986 1.00 0.22 H new ATOM 0 HD11 LEU A 126 7.254 -1.789 3.829 1.00 0.30 H new ATOM 0 HD12 LEU A 126 5.665 -1.019 3.609 1.00 0.30 H new ATOM 0 HD13 LEU A 126 7.151 -0.053 3.450 1.00 0.30 H new ATOM 0 HD21 LEU A 126 8.584 -1.355 5.840 1.00 0.23 H new ATOM 0 HD22 LEU A 126 8.546 0.401 5.551 1.00 0.23 H new ATOM 0 HD23 LEU A 126 7.983 -0.257 7.105 1.00 0.23 H new ATOM 909 N HIS A 127 5.146 3.485 7.615 1.00 0.24 N ATOM 910 CA HIS A 127 4.231 4.598 7.859 1.00 0.25 C ATOM 911 C HIS A 127 3.698 5.171 6.553 1.00 0.22 C ATOM 912 O HIS A 127 4.228 4.872 5.483 1.00 0.28 O ATOM 913 CB HIS A 127 4.901 5.708 8.675 1.00 0.28 C ATOM 914 CG HIS A 127 5.347 5.276 10.039 1.00 0.74 C ATOM 915 ND1 HIS A 127 6.294 5.954 10.772 1.00 1.35 N ATOM 916 CD2 HIS A 127 4.966 4.224 10.805 1.00 1.31 C ATOM 917 CE1 HIS A 127 6.479 5.340 11.924 1.00 1.67 C ATOM 918 NE2 HIS A 127 5.686 4.286 11.970 1.00 1.62 N ATOM 0 H HIS A 127 6.135 3.726 7.672 1.00 0.24 H new ATOM 0 HA HIS A 127 3.396 4.201 8.435 1.00 0.25 H new ATOM 0 HB2 HIS A 127 5.764 6.081 8.123 1.00 0.28 H new ATOM 0 HB3 HIS A 127 4.205 6.540 8.778 1.00 0.28 H new ATOM 0 HD2 HIS A 127 4.232 3.476 10.545 1.00 1.31 H new ATOM 0 HE1 HIS A 127 7.164 5.648 12.700 1.00 1.67 H new ATOM 0 HE2 HIS A 127 5.620 3.626 12.745 1.00 1.62 H new ATOM 927 N ASP A 128 2.666 5.998 6.644 1.00 0.24 N ATOM 928 CA ASP A 128 1.992 6.525 5.459 1.00 0.25 C ATOM 929 C ASP A 128 2.959 7.272 4.536 1.00 0.20 C ATOM 930 O ASP A 128 2.963 7.039 3.334 1.00 0.22 O ATOM 931 CB ASP A 128 0.818 7.435 5.857 1.00 0.32 C ATOM 932 CG ASP A 128 1.247 8.664 6.635 1.00 0.35 C ATOM 933 OD1 ASP A 128 1.748 8.518 7.769 1.00 0.45 O ATOM 934 OD2 ASP A 128 1.097 9.786 6.110 1.00 0.42 O ATOM 0 H ASP A 128 2.274 6.321 7.528 1.00 0.24 H new ATOM 0 HA ASP A 128 1.601 5.672 4.905 1.00 0.25 H new ATOM 0 HB2 ASP A 128 0.290 7.750 4.957 1.00 0.32 H new ATOM 0 HB3 ASP A 128 0.111 6.862 6.457 1.00 0.32 H new ATOM 939 N ASN A 129 3.787 8.149 5.097 1.00 0.19 N ATOM 940 CA ASN A 129 4.675 8.990 4.292 1.00 0.19 C ATOM 941 C ASN A 129 6.156 8.678 4.563 1.00 0.17 C ATOM 942 O ASN A 129 7.018 9.554 4.475 1.00 0.22 O ATOM 943 CB ASN A 129 4.361 10.472 4.551 1.00 0.28 C ATOM 944 CG ASN A 129 5.075 11.422 3.607 1.00 1.11 C ATOM 945 OD1 ASN A 129 5.339 11.094 2.450 1.00 1.91 O ATOM 946 ND2 ASN A 129 5.382 12.614 4.092 1.00 1.48 N ATOM 0 H ASN A 129 3.863 8.297 6.103 1.00 0.19 H new ATOM 0 HA ASN A 129 4.496 8.770 3.240 1.00 0.19 H new ATOM 0 HB2 ASN A 129 3.286 10.627 4.463 1.00 0.28 H new ATOM 0 HB3 ASN A 129 4.636 10.718 5.577 1.00 0.28 H new ATOM 0 HD21 ASN A 129 5.854 13.299 3.502 1.00 1.48 H new ATOM 0 HD22 ASN A 129 5.146 12.848 5.056 1.00 1.48 H new ATOM 953 N LEU A 130 6.452 7.433 4.917 1.00 0.15 N ATOM 954 CA LEU A 130 7.833 7.027 5.184 1.00 0.19 C ATOM 955 C LEU A 130 8.611 6.916 3.867 1.00 0.15 C ATOM 956 O LEU A 130 8.103 6.383 2.882 1.00 0.14 O ATOM 957 CB LEU A 130 7.857 5.688 5.937 1.00 0.25 C ATOM 958 CG LEU A 130 8.947 5.534 7.015 1.00 0.33 C ATOM 959 CD1 LEU A 130 10.341 5.674 6.429 1.00 0.33 C ATOM 960 CD2 LEU A 130 8.752 6.542 8.137 1.00 0.39 C ATOM 0 H LEU A 130 5.762 6.689 5.026 1.00 0.15 H new ATOM 0 HA LEU A 130 8.310 7.783 5.809 1.00 0.19 H new ATOM 0 HB2 LEU A 130 6.885 5.543 6.409 1.00 0.25 H new ATOM 0 HB3 LEU A 130 7.980 4.887 5.208 1.00 0.25 H new ATOM 0 HG LEU A 130 8.850 4.528 7.424 1.00 0.33 H new ATOM 0 HD11 LEU A 130 11.082 5.559 7.220 1.00 0.33 H new ATOM 0 HD12 LEU A 130 10.496 4.905 5.672 1.00 0.33 H new ATOM 0 HD13 LEU A 130 10.447 6.658 5.973 1.00 0.33 H new ATOM 0 HD21 LEU A 130 9.535 6.411 8.884 1.00 0.39 H new ATOM 0 HD22 LEU A 130 8.803 7.552 7.731 1.00 0.39 H new ATOM 0 HD23 LEU A 130 7.778 6.386 8.601 1.00 0.39 H new ATOM 972 N PHE A 131 9.829 7.448 3.857 1.00 0.19 N ATOM 973 CA PHE A 131 10.704 7.383 2.688 1.00 0.19 C ATOM 974 C PHE A 131 11.251 5.972 2.502 1.00 0.19 C ATOM 975 O PHE A 131 11.561 5.282 3.474 1.00 0.21 O ATOM 976 CB PHE A 131 11.869 8.365 2.844 1.00 0.22 C ATOM 977 CG PHE A 131 11.462 9.811 2.804 1.00 0.28 C ATOM 978 CD1 PHE A 131 10.883 10.408 3.912 1.00 0.38 C ATOM 979 CD2 PHE A 131 11.651 10.571 1.660 1.00 0.35 C ATOM 980 CE1 PHE A 131 10.502 11.737 3.881 1.00 0.47 C ATOM 981 CE2 PHE A 131 11.273 11.899 1.623 1.00 0.44 C ATOM 982 CZ PHE A 131 10.723 12.489 2.723 1.00 0.47 C ATOM 0 H PHE A 131 10.238 7.935 4.655 1.00 0.19 H new ATOM 0 HA PHE A 131 10.117 7.653 1.810 1.00 0.19 H new ATOM 0 HB2 PHE A 131 12.373 8.167 3.790 1.00 0.22 H new ATOM 0 HB3 PHE A 131 12.594 8.181 2.051 1.00 0.22 H new ATOM 0 HD1 PHE A 131 10.727 9.829 4.810 1.00 0.38 H new ATOM 0 HD2 PHE A 131 12.099 10.119 0.787 1.00 0.35 H new ATOM 0 HE1 PHE A 131 10.038 12.190 4.744 1.00 0.47 H new ATOM 0 HE2 PHE A 131 11.414 12.473 0.719 1.00 0.44 H new ATOM 0 HZ PHE A 131 10.458 13.536 2.700 1.00 0.47 H new ATOM 992 N LEU A 132 11.403 5.560 1.248 1.00 0.19 N ATOM 993 CA LEU A 132 11.814 4.196 0.935 1.00 0.21 C ATOM 994 C LEU A 132 13.292 3.968 1.234 1.00 0.23 C ATOM 995 O LEU A 132 13.745 2.829 1.281 1.00 0.26 O ATOM 996 CB LEU A 132 11.517 3.852 -0.527 1.00 0.23 C ATOM 997 CG LEU A 132 10.136 3.247 -0.794 1.00 0.21 C ATOM 998 CD1 LEU A 132 9.021 4.240 -0.494 1.00 0.16 C ATOM 999 CD2 LEU A 132 10.040 2.760 -2.231 1.00 0.28 C ATOM 0 H LEU A 132 11.248 6.151 0.431 1.00 0.19 H new ATOM 0 HA LEU A 132 11.232 3.534 1.577 1.00 0.21 H new ATOM 0 HB2 LEU A 132 11.619 4.759 -1.123 1.00 0.23 H new ATOM 0 HB3 LEU A 132 12.275 3.152 -0.879 1.00 0.23 H new ATOM 0 HG LEU A 132 10.011 2.397 -0.123 1.00 0.21 H new ATOM 0 HD11 LEU A 132 8.056 3.775 -0.695 1.00 0.16 H new ATOM 0 HD12 LEU A 132 9.070 4.536 0.554 1.00 0.16 H new ATOM 0 HD13 LEU A 132 9.138 5.121 -1.126 1.00 0.16 H new ATOM 0 HD21 LEU A 132 9.053 2.333 -2.405 1.00 0.28 H new ATOM 0 HD22 LEU A 132 10.198 3.598 -2.910 1.00 0.28 H new ATOM 0 HD23 LEU A 132 10.801 2.000 -2.409 1.00 0.28 H new ATOM 1011 N SER A 133 14.039 5.045 1.419 1.00 0.24 N ATOM 1012 CA SER A 133 15.455 4.950 1.734 1.00 0.28 C ATOM 1013 C SER A 133 15.660 4.428 3.153 1.00 0.32 C ATOM 1014 O SER A 133 16.636 3.730 3.441 1.00 0.39 O ATOM 1015 CB SER A 133 16.111 6.319 1.562 1.00 0.33 C ATOM 1016 OG SER A 133 15.350 7.326 2.208 1.00 1.25 O ATOM 0 H SER A 133 13.686 6.000 1.356 1.00 0.24 H new ATOM 0 HA SER A 133 15.923 4.243 1.049 1.00 0.28 H new ATOM 0 HB2 SER A 133 17.120 6.298 1.974 1.00 0.33 H new ATOM 0 HB3 SER A 133 16.205 6.552 0.501 1.00 0.33 H new ATOM 0 HG SER A 133 15.788 8.195 2.088 1.00 1.25 H new ATOM 1022 N ASP A 134 14.725 4.764 4.033 1.00 0.32 N ATOM 1023 CA ASP A 134 14.764 4.302 5.415 1.00 0.38 C ATOM 1024 C ASP A 134 14.243 2.878 5.508 1.00 0.39 C ATOM 1025 O ASP A 134 14.529 2.154 6.462 1.00 0.49 O ATOM 1026 CB ASP A 134 13.923 5.213 6.312 1.00 0.40 C ATOM 1027 CG ASP A 134 14.552 6.571 6.539 1.00 1.12 C ATOM 1028 OD1 ASP A 134 14.633 7.369 5.582 1.00 1.33 O ATOM 1029 OD2 ASP A 134 14.952 6.860 7.686 1.00 1.93 O ATOM 0 H ASP A 134 13.926 5.358 3.812 1.00 0.32 H new ATOM 0 HA ASP A 134 15.800 4.330 5.754 1.00 0.38 H new ATOM 0 HB2 ASP A 134 12.939 5.346 5.863 1.00 0.40 H new ATOM 0 HB3 ASP A 134 13.771 4.725 7.275 1.00 0.40 H new ATOM 1034 N LEU A 135 13.470 2.487 4.510 1.00 0.34 N ATOM 1035 CA LEU A 135 12.883 1.156 4.466 1.00 0.36 C ATOM 1036 C LEU A 135 13.822 0.193 3.755 1.00 0.39 C ATOM 1037 O LEU A 135 14.171 -0.861 4.292 1.00 0.42 O ATOM 1038 CB LEU A 135 11.546 1.203 3.732 1.00 0.34 C ATOM 1039 CG LEU A 135 10.610 2.334 4.159 1.00 0.30 C ATOM 1040 CD1 LEU A 135 9.298 2.231 3.411 1.00 0.32 C ATOM 1041 CD2 LEU A 135 10.378 2.317 5.663 1.00 0.34 C ATOM 0 H LEU A 135 13.232 3.077 3.712 1.00 0.34 H new ATOM 0 HA LEU A 135 12.723 0.809 5.487 1.00 0.36 H new ATOM 0 HB2 LEU A 135 11.739 1.296 2.663 1.00 0.34 H new ATOM 0 HB3 LEU A 135 11.034 0.253 3.881 1.00 0.34 H new ATOM 0 HG LEU A 135 11.082 3.284 3.910 1.00 0.30 H new ATOM 0 HD11 LEU A 135 8.638 3.041 3.722 1.00 0.32 H new ATOM 0 HD12 LEU A 135 9.483 2.305 2.339 1.00 0.32 H new ATOM 0 HD13 LEU A 135 8.827 1.273 3.633 1.00 0.32 H new ATOM 0 HD21 LEU A 135 9.709 3.132 5.937 1.00 0.34 H new ATOM 0 HD22 LEU A 135 9.929 1.367 5.951 1.00 0.34 H new ATOM 0 HD23 LEU A 135 11.330 2.440 6.179 1.00 0.34 H new ATOM 1053 N LYS A 136 14.232 0.585 2.553 1.00 0.39 N ATOM 1054 CA LYS A 136 15.133 -0.197 1.719 1.00 0.42 C ATOM 1055 C LYS A 136 14.533 -1.560 1.382 1.00 0.41 C ATOM 1056 O LYS A 136 14.895 -2.583 1.973 1.00 0.47 O ATOM 1057 CB LYS A 136 16.500 -0.356 2.397 1.00 0.47 C ATOM 1058 CG LYS A 136 17.552 -1.004 1.509 1.00 1.24 C ATOM 1059 CD LYS A 136 18.909 -1.099 2.197 1.00 1.64 C ATOM 1060 CE LYS A 136 19.683 0.216 2.155 1.00 2.49 C ATOM 1061 NZ LYS A 136 19.048 1.294 2.960 1.00 2.87 N ATOM 0 H LYS A 136 13.943 1.466 2.127 1.00 0.39 H new ATOM 0 HA LYS A 136 15.275 0.344 0.783 1.00 0.42 H new ATOM 0 HB2 LYS A 136 16.856 0.625 2.710 1.00 0.47 H new ATOM 0 HB3 LYS A 136 16.380 -0.955 3.300 1.00 0.47 H new ATOM 0 HG2 LYS A 136 17.220 -2.003 1.225 1.00 1.24 H new ATOM 0 HG3 LYS A 136 17.653 -0.428 0.589 1.00 1.24 H new ATOM 0 HD2 LYS A 136 18.765 -1.399 3.235 1.00 1.64 H new ATOM 0 HD3 LYS A 136 19.501 -1.880 1.719 1.00 1.64 H new ATOM 0 HE2 LYS A 136 20.696 0.046 2.521 1.00 2.49 H new ATOM 0 HE3 LYS A 136 19.769 0.547 1.120 1.00 2.49 H new ATOM 0 HZ1 LYS A 136 19.783 1.928 3.332 1.00 2.87 H new ATOM 0 HZ2 LYS A 136 18.394 1.836 2.360 1.00 2.87 H new ATOM 0 HZ3 LYS A 136 18.522 0.872 3.752 1.00 2.87 H new ATOM 1075 N VAL A 137 13.600 -1.569 0.439 1.00 0.37 N ATOM 1076 CA VAL A 137 13.034 -2.817 -0.045 1.00 0.38 C ATOM 1077 C VAL A 137 13.858 -3.332 -1.216 1.00 0.43 C ATOM 1078 O VAL A 137 13.748 -2.830 -2.336 1.00 0.48 O ATOM 1079 CB VAL A 137 11.566 -2.659 -0.495 1.00 0.38 C ATOM 1080 CG1 VAL A 137 10.957 -4.016 -0.816 1.00 0.45 C ATOM 1081 CG2 VAL A 137 10.748 -1.932 0.564 1.00 0.47 C ATOM 0 H VAL A 137 13.222 -0.731 -0.002 1.00 0.37 H new ATOM 0 HA VAL A 137 13.057 -3.525 0.783 1.00 0.38 H new ATOM 0 HB VAL A 137 11.550 -2.055 -1.402 1.00 0.38 H new ATOM 0 HG11 VAL A 137 9.922 -3.885 -1.131 1.00 0.45 H new ATOM 0 HG12 VAL A 137 11.524 -4.489 -1.618 1.00 0.45 H new ATOM 0 HG13 VAL A 137 10.989 -4.648 0.071 1.00 0.45 H new ATOM 0 HG21 VAL A 137 9.717 -1.833 0.223 1.00 0.47 H new ATOM 0 HG22 VAL A 137 10.770 -2.500 1.494 1.00 0.47 H new ATOM 0 HG23 VAL A 137 11.171 -0.942 0.734 1.00 0.47 H new ATOM 1091 N THR A 138 14.691 -4.320 -0.949 1.00 0.50 N ATOM 1092 CA THR A 138 15.520 -4.911 -1.976 1.00 0.60 C ATOM 1093 C THR A 138 14.682 -5.824 -2.861 1.00 0.55 C ATOM 1094 O THR A 138 13.745 -6.459 -2.390 1.00 0.51 O ATOM 1095 CB THR A 138 16.676 -5.709 -1.344 1.00 0.73 C ATOM 1096 OG1 THR A 138 16.163 -6.625 -0.367 1.00 0.72 O ATOM 1097 CG2 THR A 138 17.681 -4.776 -0.690 1.00 0.88 C ATOM 0 H THR A 138 14.810 -4.731 -0.023 1.00 0.50 H new ATOM 0 HA THR A 138 15.941 -4.111 -2.585 1.00 0.60 H new ATOM 0 HB THR A 138 17.180 -6.265 -2.135 1.00 0.73 H new ATOM 0 HG1 THR A 138 16.875 -7.237 -0.087 1.00 0.72 H new ATOM 0 HG21 THR A 138 18.488 -5.361 -0.250 1.00 0.88 H new ATOM 0 HG22 THR A 138 18.090 -4.099 -1.440 1.00 0.88 H new ATOM 0 HG23 THR A 138 17.186 -4.197 0.090 1.00 0.88 H new ATOM 1105 N PRO A 139 14.999 -5.883 -4.166 1.00 0.63 N ATOM 1106 CA PRO A 139 14.277 -6.728 -5.130 1.00 0.67 C ATOM 1107 C PRO A 139 14.245 -8.204 -4.727 1.00 0.63 C ATOM 1108 O PRO A 139 13.373 -8.954 -5.171 1.00 0.74 O ATOM 1109 CB PRO A 139 15.069 -6.544 -6.426 1.00 0.86 C ATOM 1110 CG PRO A 139 15.726 -5.220 -6.276 1.00 0.93 C ATOM 1111 CD PRO A 139 16.068 -5.104 -4.819 1.00 0.77 C ATOM 0 HA PRO A 139 13.228 -6.441 -5.206 1.00 0.67 H new ATOM 0 HB2 PRO A 139 15.803 -7.339 -6.559 1.00 0.86 H new ATOM 0 HB3 PRO A 139 14.415 -6.566 -7.297 1.00 0.86 H new ATOM 0 HG2 PRO A 139 16.620 -5.153 -6.895 1.00 0.93 H new ATOM 0 HG3 PRO A 139 15.061 -4.415 -6.588 1.00 0.93 H new ATOM 0 HD2 PRO A 139 17.055 -5.512 -4.602 1.00 0.77 H new ATOM 0 HD3 PRO A 139 16.072 -4.066 -4.486 1.00 0.77 H new ATOM 1119 N ALA A 140 15.193 -8.610 -3.888 1.00 0.64 N ATOM 1120 CA ALA A 140 15.246 -9.983 -3.395 1.00 0.72 C ATOM 1121 C ALA A 140 14.309 -10.169 -2.205 1.00 0.64 C ATOM 1122 O ALA A 140 13.832 -11.272 -1.943 1.00 0.77 O ATOM 1123 CB ALA A 140 16.670 -10.350 -3.012 1.00 0.89 C ATOM 0 H ALA A 140 15.936 -8.007 -3.535 1.00 0.64 H new ATOM 0 HA ALA A 140 14.916 -10.647 -4.194 1.00 0.72 H new ATOM 0 HB1 ALA A 140 16.695 -11.376 -2.646 1.00 0.89 H new ATOM 0 HB2 ALA A 140 17.316 -10.260 -3.885 1.00 0.89 H new ATOM 0 HB3 ALA A 140 17.021 -9.677 -2.230 1.00 0.89 H new ATOM 1129 N ASN A 141 14.046 -9.082 -1.494 1.00 0.54 N ATOM 1130 CA ASN A 141 13.133 -9.096 -0.356 1.00 0.54 C ATOM 1131 C ASN A 141 11.937 -8.207 -0.662 1.00 0.42 C ATOM 1132 O ASN A 141 11.457 -7.468 0.194 1.00 0.42 O ATOM 1133 CB ASN A 141 13.833 -8.596 0.916 1.00 0.69 C ATOM 1134 CG ASN A 141 14.964 -9.501 1.373 1.00 0.82 C ATOM 1135 OD1 ASN A 141 14.932 -10.714 1.171 1.00 1.10 O ATOM 1136 ND2 ASN A 141 15.974 -8.916 2.001 1.00 1.02 N ATOM 0 H ASN A 141 14.457 -8.168 -1.687 1.00 0.54 H new ATOM 0 HA ASN A 141 12.804 -10.121 -0.186 1.00 0.54 H new ATOM 0 HB2 ASN A 141 14.227 -7.596 0.737 1.00 0.69 H new ATOM 0 HB3 ASN A 141 13.099 -8.510 1.717 1.00 0.69 H new ATOM 0 HD21 ASN A 141 16.759 -9.475 2.335 1.00 1.02 H new ATOM 0 HD22 ASN A 141 15.966 -7.907 2.150 1.00 1.02 H new ATOM 1143 N SER A 142 11.461 -8.297 -1.895 1.00 0.36 N ATOM 1144 CA SER A 142 10.450 -7.383 -2.406 1.00 0.31 C ATOM 1145 C SER A 142 9.037 -7.782 -1.986 1.00 0.26 C ATOM 1146 O SER A 142 8.060 -7.180 -2.430 1.00 0.26 O ATOM 1147 CB SER A 142 10.556 -7.331 -3.930 1.00 0.37 C ATOM 1148 OG SER A 142 10.696 -8.638 -4.475 1.00 1.23 O ATOM 0 H SER A 142 11.763 -9.002 -2.567 1.00 0.36 H new ATOM 0 HA SER A 142 10.636 -6.398 -1.979 1.00 0.31 H new ATOM 0 HB2 SER A 142 9.668 -6.853 -4.344 1.00 0.37 H new ATOM 0 HB3 SER A 142 11.411 -6.719 -4.218 1.00 0.37 H new ATOM 0 HG SER A 142 11.629 -8.786 -4.734 1.00 1.23 H new ATOM 1154 N THR A 143 8.927 -8.792 -1.137 1.00 0.30 N ATOM 1155 CA THR A 143 7.627 -9.247 -0.677 1.00 0.31 C ATOM 1156 C THR A 143 7.087 -8.324 0.411 1.00 0.25 C ATOM 1157 O THR A 143 7.601 -8.291 1.531 1.00 0.34 O ATOM 1158 CB THR A 143 7.693 -10.686 -0.142 1.00 0.41 C ATOM 1159 OG1 THR A 143 8.380 -11.523 -1.085 1.00 0.48 O ATOM 1160 CG2 THR A 143 6.294 -11.233 0.097 1.00 0.45 C ATOM 0 H THR A 143 9.719 -9.309 -0.755 1.00 0.30 H new ATOM 0 HA THR A 143 6.954 -9.226 -1.534 1.00 0.31 H new ATOM 0 HB THR A 143 8.234 -10.679 0.804 1.00 0.41 H new ATOM 0 HG1 THR A 143 8.422 -12.439 -0.740 1.00 0.48 H new ATOM 0 HG21 THR A 143 6.362 -12.253 0.476 1.00 0.45 H new ATOM 0 HG22 THR A 143 5.779 -10.608 0.827 1.00 0.45 H new ATOM 0 HG23 THR A 143 5.737 -11.230 -0.840 1.00 0.45 H new ATOM 1168 N ILE A 144 6.055 -7.573 0.070 1.00 0.20 N ATOM 1169 CA ILE A 144 5.457 -6.624 0.991 1.00 0.18 C ATOM 1170 C ILE A 144 4.067 -7.092 1.395 1.00 0.18 C ATOM 1171 O ILE A 144 3.334 -7.660 0.584 1.00 0.24 O ATOM 1172 CB ILE A 144 5.350 -5.222 0.353 1.00 0.21 C ATOM 1173 CG1 ILE A 144 6.707 -4.763 -0.189 1.00 0.22 C ATOM 1174 CG2 ILE A 144 4.819 -4.211 1.359 1.00 0.27 C ATOM 1175 CD1 ILE A 144 7.764 -4.592 0.879 1.00 0.25 C ATOM 0 H ILE A 144 5.610 -7.603 -0.847 1.00 0.20 H new ATOM 0 HA ILE A 144 6.099 -6.564 1.870 1.00 0.18 H new ATOM 0 HB ILE A 144 4.649 -5.287 -0.479 1.00 0.21 H new ATOM 0 HG12 ILE A 144 7.059 -5.488 -0.923 1.00 0.22 H new ATOM 0 HG13 ILE A 144 6.577 -3.816 -0.713 1.00 0.22 H new ATOM 0 HG21 ILE A 144 4.752 -3.230 0.888 1.00 0.27 H new ATOM 0 HG22 ILE A 144 3.830 -4.520 1.698 1.00 0.27 H new ATOM 0 HG23 ILE A 144 5.495 -4.158 2.213 1.00 0.27 H new ATOM 0 HD11 ILE A 144 8.697 -4.266 0.419 1.00 0.25 H new ATOM 0 HD12 ILE A 144 7.434 -3.845 1.601 1.00 0.25 H new ATOM 0 HD13 ILE A 144 7.924 -5.542 1.388 1.00 0.25 H new ATOM 1187 N THR A 145 3.713 -6.878 2.648 1.00 0.14 N ATOM 1188 CA THR A 145 2.375 -7.175 3.118 1.00 0.14 C ATOM 1189 C THR A 145 1.538 -5.907 3.099 1.00 0.14 C ATOM 1190 O THR A 145 1.876 -4.931 3.764 1.00 0.19 O ATOM 1191 CB THR A 145 2.403 -7.745 4.547 1.00 0.17 C ATOM 1192 OG1 THR A 145 3.313 -8.852 4.605 1.00 0.21 O ATOM 1193 CG2 THR A 145 1.015 -8.197 4.983 1.00 0.19 C ATOM 0 H THR A 145 4.337 -6.498 3.360 1.00 0.14 H new ATOM 0 HA THR A 145 1.938 -7.923 2.456 1.00 0.14 H new ATOM 0 HB THR A 145 2.735 -6.959 5.225 1.00 0.17 H new ATOM 0 HG1 THR A 145 3.331 -9.213 5.516 1.00 0.21 H new ATOM 0 HG21 THR A 145 1.064 -8.595 5.996 1.00 0.19 H new ATOM 0 HG22 THR A 145 0.332 -7.348 4.959 1.00 0.19 H new ATOM 0 HG23 THR A 145 0.655 -8.971 4.306 1.00 0.19 H new ATOM 1201 N VAL A 146 0.467 -5.902 2.324 1.00 0.14 N ATOM 1202 CA VAL A 146 -0.386 -4.734 2.266 1.00 0.15 C ATOM 1203 C VAL A 146 -1.801 -5.070 2.734 1.00 0.15 C ATOM 1204 O VAL A 146 -2.510 -5.886 2.141 1.00 0.19 O ATOM 1205 CB VAL A 146 -0.404 -4.084 0.859 1.00 0.15 C ATOM 1206 CG1 VAL A 146 -1.001 -5.000 -0.192 1.00 0.16 C ATOM 1207 CG2 VAL A 146 -1.141 -2.760 0.898 1.00 0.20 C ATOM 0 H VAL A 146 0.173 -6.682 1.736 1.00 0.14 H new ATOM 0 HA VAL A 146 0.037 -3.996 2.948 1.00 0.15 H new ATOM 0 HB VAL A 146 0.632 -3.905 0.572 1.00 0.15 H new ATOM 0 HG11 VAL A 146 -0.991 -4.499 -1.160 1.00 0.16 H new ATOM 0 HG12 VAL A 146 -0.414 -5.916 -0.252 1.00 0.16 H new ATOM 0 HG13 VAL A 146 -2.028 -5.244 0.079 1.00 0.16 H new ATOM 0 HG21 VAL A 146 -1.145 -2.316 -0.098 1.00 0.20 H new ATOM 0 HG22 VAL A 146 -2.167 -2.924 1.226 1.00 0.20 H new ATOM 0 HG23 VAL A 146 -0.641 -2.086 1.594 1.00 0.20 H new ATOM 1217 N MET A 147 -2.190 -4.459 3.834 1.00 0.17 N ATOM 1218 CA MET A 147 -3.517 -4.636 4.375 1.00 0.18 C ATOM 1219 C MET A 147 -4.374 -3.432 4.019 1.00 0.15 C ATOM 1220 O MET A 147 -4.262 -2.375 4.635 1.00 0.19 O ATOM 1221 CB MET A 147 -3.457 -4.808 5.898 1.00 0.24 C ATOM 1222 CG MET A 147 -2.611 -5.985 6.354 1.00 0.26 C ATOM 1223 SD MET A 147 -2.828 -6.357 8.107 1.00 0.95 S ATOM 1224 CE MET A 147 -2.369 -4.796 8.853 1.00 1.62 C ATOM 0 H MET A 147 -1.597 -3.829 4.374 1.00 0.17 H new ATOM 0 HA MET A 147 -3.959 -5.535 3.945 1.00 0.18 H new ATOM 0 HB2 MET A 147 -3.060 -3.895 6.341 1.00 0.24 H new ATOM 0 HB3 MET A 147 -4.470 -4.933 6.280 1.00 0.24 H new ATOM 0 HG2 MET A 147 -2.871 -6.864 5.765 1.00 0.26 H new ATOM 0 HG3 MET A 147 -1.560 -5.770 6.159 1.00 0.26 H new ATOM 0 HE1 MET A 147 -1.814 -4.981 9.773 1.00 1.62 H new ATOM 0 HE2 MET A 147 -1.745 -4.231 8.160 1.00 1.62 H new ATOM 0 HE3 MET A 147 -3.268 -4.223 9.081 1.00 1.62 H new ATOM 1234 N ILE A 148 -5.216 -3.587 3.010 1.00 0.12 N ATOM 1235 CA ILE A 148 -6.102 -2.511 2.597 1.00 0.09 C ATOM 1236 C ILE A 148 -7.541 -2.891 2.866 1.00 0.10 C ATOM 1237 O ILE A 148 -7.950 -4.023 2.596 1.00 0.14 O ATOM 1238 CB ILE A 148 -5.971 -2.178 1.098 1.00 0.11 C ATOM 1239 CG1 ILE A 148 -4.519 -1.903 0.724 1.00 0.12 C ATOM 1240 CG2 ILE A 148 -6.846 -0.981 0.757 1.00 0.19 C ATOM 1241 CD1 ILE A 148 -4.312 -1.624 -0.751 1.00 0.14 C ATOM 0 H ILE A 148 -5.305 -4.444 2.464 1.00 0.12 H new ATOM 0 HA ILE A 148 -5.811 -1.634 3.175 1.00 0.09 H new ATOM 0 HB ILE A 148 -6.306 -3.040 0.521 1.00 0.11 H new ATOM 0 HG12 ILE A 148 -4.160 -1.050 1.300 1.00 0.12 H new ATOM 0 HG13 ILE A 148 -3.910 -2.760 1.011 1.00 0.12 H new ATOM 0 HG21 ILE A 148 -6.749 -0.750 -0.304 1.00 0.19 H new ATOM 0 HG22 ILE A 148 -7.886 -1.214 0.984 1.00 0.19 H new ATOM 0 HG23 ILE A 148 -6.530 -0.120 1.346 1.00 0.19 H new ATOM 0 HD11 ILE A 148 -3.255 -1.438 -0.941 1.00 0.14 H new ATOM 0 HD12 ILE A 148 -4.639 -2.485 -1.334 1.00 0.14 H new ATOM 0 HD13 ILE A 148 -4.893 -0.748 -1.041 1.00 0.14 H new ATOM 1253 N LYS A 149 -8.306 -1.953 3.387 1.00 0.12 N ATOM 1254 CA LYS A 149 -9.726 -2.172 3.606 1.00 0.16 C ATOM 1255 C LYS A 149 -10.496 -0.945 3.130 1.00 0.22 C ATOM 1256 O LYS A 149 -10.720 -0.012 3.902 1.00 0.34 O ATOM 1257 CB LYS A 149 -10.003 -2.429 5.093 1.00 0.22 C ATOM 1258 CG LYS A 149 -9.153 -3.540 5.696 1.00 0.35 C ATOM 1259 CD LYS A 149 -9.882 -4.881 5.780 1.00 0.66 C ATOM 1260 CE LYS A 149 -10.325 -5.400 4.421 1.00 0.76 C ATOM 1261 NZ LYS A 149 -11.693 -4.943 4.058 1.00 1.18 N ATOM 0 H LYS A 149 -7.971 -1.031 3.667 1.00 0.12 H new ATOM 0 HA LYS A 149 -10.050 -3.048 3.043 1.00 0.16 H new ATOM 0 HB2 LYS A 149 -9.828 -1.508 5.650 1.00 0.22 H new ATOM 0 HB3 LYS A 149 -11.056 -2.682 5.218 1.00 0.22 H new ATOM 0 HG2 LYS A 149 -8.250 -3.662 5.098 1.00 0.35 H new ATOM 0 HG3 LYS A 149 -8.836 -3.243 6.696 1.00 0.35 H new ATOM 0 HD2 LYS A 149 -9.227 -5.616 6.248 1.00 0.66 H new ATOM 0 HD3 LYS A 149 -10.754 -4.775 6.425 1.00 0.66 H new ATOM 0 HE2 LYS A 149 -9.620 -5.066 3.660 1.00 0.76 H new ATOM 0 HE3 LYS A 149 -10.298 -6.490 4.425 1.00 0.76 H new ATOM 0 HZ1 LYS A 149 -12.322 -5.766 3.969 1.00 1.18 H new ATOM 0 HZ2 LYS A 149 -12.055 -4.309 4.799 1.00 1.18 H new ATOM 0 HZ3 LYS A 149 -11.660 -4.433 3.152 1.00 1.18 H new ATOM 1275 N PRO A 150 -10.881 -0.916 1.843 1.00 0.23 N ATOM 1276 CA PRO A 150 -11.554 0.243 1.241 1.00 0.30 C ATOM 1277 C PRO A 150 -12.933 0.501 1.839 1.00 0.45 C ATOM 1278 O PRO A 150 -13.573 -0.403 2.376 1.00 0.78 O ATOM 1279 CB PRO A 150 -11.683 -0.132 -0.243 1.00 0.47 C ATOM 1280 CG PRO A 150 -10.759 -1.286 -0.444 1.00 0.44 C ATOM 1281 CD PRO A 150 -10.703 -2.004 0.872 1.00 0.29 C ATOM 0 HA PRO A 150 -10.991 1.160 1.415 1.00 0.30 H new ATOM 0 HB2 PRO A 150 -12.709 -0.403 -0.492 1.00 0.47 H new ATOM 0 HB3 PRO A 150 -11.410 0.706 -0.885 1.00 0.47 H new ATOM 0 HG2 PRO A 150 -11.123 -1.945 -1.233 1.00 0.44 H new ATOM 0 HG3 PRO A 150 -9.768 -0.945 -0.745 1.00 0.44 H new ATOM 0 HD2 PRO A 150 -11.489 -2.755 0.957 1.00 0.29 H new ATOM 0 HD3 PRO A 150 -9.753 -2.520 1.012 1.00 0.29 H new ATOM 1289 N ASN A 151 -13.381 1.743 1.748 1.00 0.73 N ATOM 1290 CA ASN A 151 -14.691 2.125 2.250 1.00 0.99 C ATOM 1291 C ASN A 151 -15.656 2.342 1.088 1.00 1.49 C ATOM 1292 O ASN A 151 -15.984 3.477 0.732 1.00 2.08 O ATOM 1293 CB ASN A 151 -14.585 3.392 3.109 1.00 1.70 C ATOM 1294 CG ASN A 151 -15.918 3.825 3.696 1.00 2.54 C ATOM 1295 OD1 ASN A 151 -16.797 3.002 3.965 1.00 3.20 O ATOM 1296 ND2 ASN A 151 -16.078 5.122 3.897 1.00 3.09 N ATOM 0 H ASN A 151 -12.853 2.508 1.328 1.00 0.73 H new ATOM 0 HA ASN A 151 -15.077 1.319 2.875 1.00 0.99 H new ATOM 0 HB2 ASN A 151 -13.877 3.217 3.919 1.00 1.70 H new ATOM 0 HB3 ASN A 151 -14.181 4.203 2.503 1.00 1.70 H new ATOM 0 HD21 ASN A 151 -16.952 5.474 4.288 1.00 3.09 H new ATOM 0 HD22 ASN A 151 -15.327 5.771 3.662 1.00 3.09 H new ATOM 1303 N LEU A 152 -16.083 1.247 0.479 1.00 2.09 N ATOM 1304 CA LEU A 152 -17.026 1.309 -0.625 1.00 2.99 C ATOM 1305 C LEU A 152 -18.445 1.120 -0.102 1.00 3.09 C ATOM 1306 O LEU A 152 -19.352 1.885 -0.430 1.00 3.51 O ATOM 1307 CB LEU A 152 -16.698 0.237 -1.669 1.00 3.90 C ATOM 1308 CG LEU A 152 -17.565 0.263 -2.930 1.00 4.55 C ATOM 1309 CD1 LEU A 152 -17.356 1.559 -3.699 1.00 5.57 C ATOM 1310 CD2 LEU A 152 -17.256 -0.934 -3.812 1.00 4.84 C ATOM 0 H LEU A 152 -15.790 0.303 0.732 1.00 2.09 H new ATOM 0 HA LEU A 152 -16.949 2.287 -1.100 1.00 2.99 H new ATOM 0 HB2 LEU A 152 -15.654 0.348 -1.964 1.00 3.90 H new ATOM 0 HB3 LEU A 152 -16.795 -0.743 -1.202 1.00 3.90 H new ATOM 0 HG LEU A 152 -18.611 0.209 -2.628 1.00 4.55 H new ATOM 0 HD11 LEU A 152 -17.981 1.557 -4.592 1.00 5.57 H new ATOM 0 HD12 LEU A 152 -17.628 2.405 -3.067 1.00 5.57 H new ATOM 0 HD13 LEU A 152 -16.309 1.645 -3.990 1.00 5.57 H new ATOM 0 HD21 LEU A 152 -17.881 -0.900 -4.704 1.00 4.84 H new ATOM 0 HD22 LEU A 152 -16.206 -0.910 -4.104 1.00 4.84 H new ATOM 0 HD23 LEU A 152 -17.459 -1.853 -3.262 1.00 4.84 H new ATOM 1322 N GLU A 153 -18.621 0.096 0.718 1.00 3.10 N ATOM 1323 CA GLU A 153 -19.904 -0.170 1.344 1.00 3.49 C ATOM 1324 C GLU A 153 -20.057 0.691 2.593 1.00 3.85 C ATOM 1325 O GLU A 153 -19.093 0.906 3.329 1.00 4.08 O ATOM 1326 CB GLU A 153 -20.017 -1.657 1.696 1.00 3.81 C ATOM 1327 CG GLU A 153 -21.360 -2.050 2.287 1.00 4.42 C ATOM 1328 CD GLU A 153 -22.518 -1.668 1.391 1.00 4.92 C ATOM 1329 OE1 GLU A 153 -22.748 -2.359 0.382 1.00 5.30 O ATOM 1330 OE2 GLU A 153 -23.190 -0.659 1.682 1.00 5.23 O ATOM 0 H GLU A 153 -17.887 -0.567 0.966 1.00 3.10 H new ATOM 0 HA GLU A 153 -20.704 0.081 0.647 1.00 3.49 H new ATOM 0 HB2 GLU A 153 -19.840 -2.247 0.797 1.00 3.81 H new ATOM 0 HB3 GLU A 153 -19.230 -1.913 2.405 1.00 3.81 H new ATOM 0 HG2 GLU A 153 -21.377 -3.126 2.460 1.00 4.42 H new ATOM 0 HG3 GLU A 153 -21.481 -1.570 3.258 1.00 4.42 H new ATOM 1337 N HIS A 154 -21.262 1.178 2.828 1.00 4.32 N ATOM 1338 CA HIS A 154 -21.521 2.047 3.966 1.00 5.11 C ATOM 1339 C HIS A 154 -22.154 1.252 5.100 1.00 5.76 C ATOM 1340 O HIS A 154 -23.208 0.640 4.933 1.00 6.42 O ATOM 1341 CB HIS A 154 -22.406 3.240 3.560 1.00 5.87 C ATOM 1342 CG HIS A 154 -23.751 2.871 3.004 1.00 6.39 C ATOM 1343 ND1 HIS A 154 -24.935 3.137 3.654 1.00 7.30 N ATOM 1344 CD2 HIS A 154 -24.093 2.265 1.845 1.00 6.49 C ATOM 1345 CE1 HIS A 154 -25.943 2.706 2.920 1.00 7.87 C ATOM 1346 NE2 HIS A 154 -25.459 2.173 1.818 1.00 7.44 N ATOM 0 H HIS A 154 -22.078 0.988 2.247 1.00 4.32 H new ATOM 0 HA HIS A 154 -20.571 2.450 4.318 1.00 5.11 H new ATOM 0 HB2 HIS A 154 -22.552 3.878 4.432 1.00 5.87 H new ATOM 0 HB3 HIS A 154 -21.872 3.833 2.817 1.00 5.87 H new ATOM 0 HD2 HIS A 154 -23.414 1.917 1.081 1.00 6.49 H new ATOM 0 HE1 HIS A 154 -26.989 2.778 3.180 1.00 7.87 H new ATOM 0 HE2 HIS A 154 -26.011 1.759 1.067 1.00 7.44 H new ATOM 1355 N HIS A 155 -21.502 1.247 6.254 1.00 5.92 N ATOM 1356 CA HIS A 155 -21.948 0.421 7.370 1.00 6.87 C ATOM 1357 C HIS A 155 -22.473 1.261 8.524 1.00 7.38 C ATOM 1358 O HIS A 155 -22.709 0.748 9.617 1.00 7.93 O ATOM 1359 CB HIS A 155 -20.819 -0.492 7.850 1.00 7.43 C ATOM 1360 CG HIS A 155 -20.450 -1.544 6.854 1.00 7.54 C ATOM 1361 ND1 HIS A 155 -19.277 -1.520 6.131 1.00 7.84 N ATOM 1362 CD2 HIS A 155 -21.110 -2.656 6.454 1.00 7.73 C ATOM 1363 CE1 HIS A 155 -19.235 -2.568 5.333 1.00 8.16 C ATOM 1364 NE2 HIS A 155 -20.332 -3.273 5.510 1.00 8.11 N ATOM 0 H HIS A 155 -20.667 1.802 6.443 1.00 5.92 H new ATOM 0 HA HIS A 155 -22.772 -0.194 7.008 1.00 6.87 H new ATOM 0 HB2 HIS A 155 -19.940 0.113 8.072 1.00 7.43 H new ATOM 0 HB3 HIS A 155 -21.119 -0.972 8.782 1.00 7.43 H new ATOM 0 HD2 HIS A 155 -22.071 -2.994 6.812 1.00 7.73 H new ATOM 0 HE1 HIS A 155 -18.435 -2.808 4.649 1.00 8.16 H new ATOM 0 HE2 HIS A 155 -20.565 -4.139 5.023 1.00 8.11 H new ATOM 1373 N HIS A 156 -22.666 2.550 8.284 1.00 7.44 N ATOM 1374 CA HIS A 156 -23.254 3.422 9.292 1.00 8.20 C ATOM 1375 C HIS A 156 -24.752 3.553 9.074 1.00 9.06 C ATOM 1376 O HIS A 156 -25.410 4.407 9.667 1.00 9.60 O ATOM 1377 CB HIS A 156 -22.582 4.795 9.295 1.00 8.15 C ATOM 1378 CG HIS A 156 -21.216 4.774 9.902 1.00 8.20 C ATOM 1379 ND1 HIS A 156 -20.059 4.818 9.158 1.00 8.54 N ATOM 1380 CD2 HIS A 156 -20.826 4.695 11.196 1.00 8.27 C ATOM 1381 CE1 HIS A 156 -19.017 4.766 9.965 1.00 8.77 C ATOM 1382 NE2 HIS A 156 -19.454 4.692 11.207 1.00 8.62 N ATOM 0 H HIS A 156 -22.426 3.013 7.407 1.00 7.44 H new ATOM 0 HA HIS A 156 -23.087 2.970 10.269 1.00 8.20 H new ATOM 0 HB2 HIS A 156 -22.513 5.162 8.271 1.00 8.15 H new ATOM 0 HB3 HIS A 156 -23.207 5.499 9.845 1.00 8.15 H new ATOM 0 HD2 HIS A 156 -21.474 4.644 12.059 1.00 8.27 H new ATOM 0 HE1 HIS A 156 -17.981 4.781 9.660 1.00 8.77 H new ATOM 0 HE2 HIS A 156 -18.868 4.641 12.040 1.00 8.62 H new ATOM 1391 N HIS A 157 -25.281 2.688 8.217 1.00 9.38 N ATOM 1392 CA HIS A 157 -26.715 2.618 7.979 1.00 10.35 C ATOM 1393 C HIS A 157 -27.354 1.706 9.019 1.00 11.06 C ATOM 1394 O HIS A 157 -28.564 1.737 9.241 1.00 11.32 O ATOM 1395 CB HIS A 157 -26.988 2.102 6.560 1.00 10.43 C ATOM 1396 CG HIS A 157 -28.440 2.073 6.185 1.00 10.63 C ATOM 1397 ND1 HIS A 157 -29.122 3.178 5.723 1.00 10.79 N ATOM 1398 CD2 HIS A 157 -29.337 1.059 6.198 1.00 10.94 C ATOM 1399 CE1 HIS A 157 -30.375 2.846 5.472 1.00 11.19 C ATOM 1400 NE2 HIS A 157 -30.529 1.566 5.751 1.00 11.29 N ATOM 0 H HIS A 157 -24.733 2.022 7.673 1.00 9.38 H new ATOM 0 HA HIS A 157 -27.151 3.613 8.067 1.00 10.35 H new ATOM 0 HB2 HIS A 157 -26.453 2.730 5.848 1.00 10.43 H new ATOM 0 HB3 HIS A 157 -26.580 1.096 6.467 1.00 10.43 H new ATOM 0 HD2 HIS A 157 -29.148 0.040 6.504 1.00 10.94 H new ATOM 0 HE1 HIS A 157 -31.143 3.509 5.102 1.00 11.19 H new ATOM 0 HE2 HIS A 157 -31.396 1.038 5.650 1.00 11.29 H new ATOM 1409 N HIS A 158 -26.521 0.893 9.652 1.00 11.55 N ATOM 1410 CA HIS A 158 -26.967 0.003 10.706 1.00 12.39 C ATOM 1411 C HIS A 158 -25.980 0.056 11.865 1.00 12.96 C ATOM 1412 O HIS A 158 -24.788 -0.203 11.690 1.00 13.26 O ATOM 1413 CB HIS A 158 -27.098 -1.428 10.176 1.00 12.59 C ATOM 1414 CG HIS A 158 -27.771 -2.372 11.127 1.00 12.97 C ATOM 1415 ND1 HIS A 158 -29.108 -2.692 11.044 1.00 13.20 N ATOM 1416 CD2 HIS A 158 -27.287 -3.071 12.180 1.00 13.37 C ATOM 1417 CE1 HIS A 158 -29.416 -3.544 12.003 1.00 13.72 C ATOM 1418 NE2 HIS A 158 -28.330 -3.790 12.706 1.00 13.83 N ATOM 0 H HIS A 158 -25.523 0.834 9.449 1.00 11.55 H new ATOM 0 HA HIS A 158 -27.947 0.325 11.058 1.00 12.39 H new ATOM 0 HB2 HIS A 158 -27.659 -1.408 9.242 1.00 12.59 H new ATOM 0 HB3 HIS A 158 -26.104 -1.810 9.943 1.00 12.59 H new ATOM 0 HD2 HIS A 158 -26.269 -3.064 12.539 1.00 13.37 H new ATOM 0 HE1 HIS A 158 -30.393 -3.968 12.181 1.00 13.72 H new ATOM 0 HE2 HIS A 158 -28.274 -4.414 13.511 1.00 13.83 H new ATOM 1427 N HIS A 159 -26.471 0.410 13.040 1.00 13.27 N ATOM 1428 CA HIS A 159 -25.625 0.504 14.218 1.00 13.97 C ATOM 1429 C HIS A 159 -25.730 -0.764 15.049 1.00 14.44 C ATOM 1430 O HIS A 159 -26.683 -0.884 15.842 1.00 14.87 O ATOM 1431 CB HIS A 159 -25.995 1.726 15.066 1.00 14.33 C ATOM 1432 CG HIS A 159 -25.636 3.032 14.425 1.00 14.72 C ATOM 1433 ND1 HIS A 159 -24.339 3.478 14.311 1.00 14.82 N ATOM 1434 CD2 HIS A 159 -26.409 3.989 13.856 1.00 15.22 C ATOM 1435 CE1 HIS A 159 -24.326 4.648 13.704 1.00 15.36 C ATOM 1436 NE2 HIS A 159 -25.567 4.981 13.416 1.00 15.61 N ATOM 1437 OXT HIS A 159 -24.861 -1.646 14.899 1.00 14.50 O ATOM 0 H HIS A 159 -27.452 0.637 13.204 1.00 13.27 H new ATOM 0 HA HIS A 159 -24.594 0.622 13.884 1.00 13.97 H new ATOM 0 HB2 HIS A 159 -27.067 1.710 15.263 1.00 14.33 H new ATOM 0 HB3 HIS A 159 -25.493 1.654 16.031 1.00 14.33 H new ATOM 0 HD2 HIS A 159 -27.485 3.974 13.766 1.00 15.22 H new ATOM 0 HE1 HIS A 159 -23.447 5.234 13.481 1.00 15.36 H new ATOM 0 HE2 HIS A 159 -25.856 5.837 12.943 1.00 15.61 H new TER 1446 HIS A 159