USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1005 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 124 MET CE :methyl -151:sc= -6.49! (180deg=-9.19!) USER MOD Set 1.2: A 128 TYR OH : rot -25:sc= 1.45 USER MOD Set 2.1: A 101 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.58) USER MOD Set 2.2: A 102 SER OG : rot 180:sc= 0.00628 USER MOD Set 3.1: A 40 SER OG : rot 180:sc= 0.87 USER MOD Set 3.2: A 43 THR OG1 : rot 127:sc= 1.01 USER MOD Set 4.1: A 19 ASN : amide:sc= -0.323 K(o=0.81,f=-0.32!) USER MOD Set 4.2: A 22 THR OG1 : rot 38:sc= 1.14 USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.06) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 78:sc= 0.548 USER MOD Single : A 20 SER OG : rot -160:sc= -0.25 USER MOD Single : A 24 GLN : amide:sc= -0.0116 K(o=-0.012,f=-1.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 34 THR OG1 : rot -175:sc= -0.94 USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00264) USER MOD Single : A 44 THR OG1 : rot -67:sc= -0.025 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 85:sc= 0.581 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.035) USER MOD Single : A 63 HIS : no HD1:sc= -2.01 X(o=-2,f=-1.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -47:sc= 0.0197 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0778 F(o=-0.88,f=-0.078) USER MOD Single : A 78 HIS : no HD1:sc= -0.0257 X(o=-0.026,f=-0.0032) USER MOD Single : A 80 HIS : no HD1:sc= -4.3! C(o=-4.3!,f=-5.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0996 X(o=-0.1,f=-0.37) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.1!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0333 K(o=-0.033,f=-2.4!) USER MOD Single : A 111 SER OG : rot 160:sc= -0.959 USER MOD Single : A 112 THR OG1 : rot 38:sc= 0.044 USER MOD Single : A 115 ASN : amide:sc= 0.0198 X(o=0.02,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -170:sc= -1.9 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N CYS A 7 -15.246 6.897 1.549 1.00 1.56 N ATOM 93 CA CYS A 7 -15.279 6.138 0.267 1.00 0.93 C ATOM 94 C CYS A 7 -15.239 7.102 -0.925 1.00 0.71 C ATOM 95 O CYS A 7 -14.653 6.809 -1.947 1.00 1.02 O ATOM 96 CB CYS A 7 -16.561 5.308 0.202 1.00 0.61 C ATOM 97 SG CYS A 7 -16.174 3.647 -0.402 1.00 1.77 S ATOM 0 HA CYS A 7 -14.409 5.483 0.222 1.00 0.93 H new ATOM 0 HB2 CYS A 7 -17.020 5.250 1.189 1.00 0.61 H new ATOM 0 HB3 CYS A 7 -17.284 5.787 -0.458 1.00 0.61 H new ATOM 0 HG CYS A 7 -17.264 2.940 -0.455 1.00 1.77 H new ATOM 102 N ASP A 8 -15.870 8.240 -0.812 1.00 0.35 N ATOM 103 CA ASP A 8 -15.877 9.201 -1.952 1.00 0.35 C ATOM 104 C ASP A 8 -14.550 9.961 -2.023 1.00 0.45 C ATOM 105 O ASP A 8 -13.779 9.792 -2.945 1.00 0.66 O ATOM 106 CB ASP A 8 -17.026 10.197 -1.774 1.00 0.36 C ATOM 107 CG ASP A 8 -17.224 10.983 -3.071 1.00 0.81 C ATOM 108 OD1 ASP A 8 -17.910 10.482 -3.946 1.00 1.23 O ATOM 109 OD2 ASP A 8 -16.686 12.074 -3.168 1.00 1.73 O ATOM 0 H ASP A 8 -16.379 8.545 0.018 1.00 0.35 H new ATOM 0 HA ASP A 8 -16.011 8.643 -2.879 1.00 0.35 H new ATOM 0 HB2 ASP A 8 -17.943 9.668 -1.513 1.00 0.36 H new ATOM 0 HB3 ASP A 8 -16.806 10.879 -0.953 1.00 0.36 H new ATOM 114 N ILE A 9 -14.283 10.809 -1.071 1.00 0.40 N ATOM 115 CA ILE A 9 -13.011 11.590 -1.103 1.00 0.57 C ATOM 116 C ILE A 9 -11.900 10.828 -0.371 1.00 0.33 C ATOM 117 O ILE A 9 -10.729 11.034 -0.621 1.00 0.25 O ATOM 118 CB ILE A 9 -13.242 12.953 -0.434 1.00 0.80 C ATOM 119 CG1 ILE A 9 -13.000 14.068 -1.455 1.00 1.95 C ATOM 120 CG2 ILE A 9 -12.286 13.139 0.750 1.00 0.44 C ATOM 121 CD1 ILE A 9 -13.242 15.427 -0.797 1.00 2.21 C ATOM 0 H ILE A 9 -14.888 10.997 -0.272 1.00 0.40 H new ATOM 0 HA ILE A 9 -12.703 11.737 -2.138 1.00 0.57 H new ATOM 0 HB ILE A 9 -14.269 12.995 -0.070 1.00 0.80 H new ATOM 0 HG12 ILE A 9 -11.980 14.013 -1.834 1.00 1.95 H new ATOM 0 HG13 ILE A 9 -13.665 13.943 -2.310 1.00 1.95 H new ATOM 0 HG21 ILE A 9 -12.464 14.110 1.212 1.00 0.44 H new ATOM 0 HG22 ILE A 9 -12.458 12.351 1.484 1.00 0.44 H new ATOM 0 HG23 ILE A 9 -11.256 13.088 0.397 1.00 0.44 H new ATOM 0 HD11 ILE A 9 -13.069 16.220 -1.525 1.00 2.21 H new ATOM 0 HD12 ILE A 9 -14.270 15.480 -0.440 1.00 2.21 H new ATOM 0 HD13 ILE A 9 -12.559 15.551 0.043 1.00 2.21 H new ATOM 133 N THR A 10 -12.250 9.959 0.538 1.00 0.56 N ATOM 134 CA THR A 10 -11.201 9.207 1.285 1.00 0.48 C ATOM 135 C THR A 10 -10.574 8.134 0.389 1.00 0.38 C ATOM 136 O THR A 10 -9.373 8.090 0.210 1.00 0.25 O ATOM 137 CB THR A 10 -11.828 8.536 2.509 1.00 0.71 C ATOM 138 OG1 THR A 10 -12.351 9.533 3.377 1.00 0.71 O ATOM 139 CG2 THR A 10 -10.761 7.723 3.243 1.00 0.84 C ATOM 0 H THR A 10 -13.212 9.738 0.795 1.00 0.56 H new ATOM 0 HA THR A 10 -10.426 9.906 1.600 1.00 0.48 H new ATOM 0 HB THR A 10 -12.634 7.874 2.192 1.00 0.71 H new ATOM 0 HG1 THR A 10 -12.755 9.105 4.161 1.00 0.71 H new ATOM 0 HG21 THR A 10 -11.205 7.244 4.116 1.00 0.84 H new ATOM 0 HG22 THR A 10 -10.361 6.961 2.575 1.00 0.84 H new ATOM 0 HG23 THR A 10 -9.956 8.384 3.563 1.00 0.84 H new ATOM 147 N LEU A 11 -11.370 7.258 -0.159 1.00 0.48 N ATOM 148 CA LEU A 11 -10.810 6.179 -1.022 1.00 0.48 C ATOM 149 C LEU A 11 -10.330 6.758 -2.360 1.00 0.46 C ATOM 150 O LEU A 11 -9.473 6.196 -3.014 1.00 0.50 O ATOM 151 CB LEU A 11 -11.887 5.120 -1.271 1.00 0.65 C ATOM 152 CG LEU A 11 -11.545 3.850 -0.487 1.00 0.61 C ATOM 153 CD1 LEU A 11 -12.034 3.992 0.955 1.00 0.69 C ATOM 154 CD2 LEU A 11 -12.229 2.644 -1.135 1.00 1.08 C ATOM 0 H LEU A 11 -12.384 7.242 -0.047 1.00 0.48 H new ATOM 0 HA LEU A 11 -9.958 5.724 -0.516 1.00 0.48 H new ATOM 0 HB2 LEU A 11 -12.862 5.498 -0.964 1.00 0.65 H new ATOM 0 HB3 LEU A 11 -11.953 4.896 -2.336 1.00 0.65 H new ATOM 0 HG LEU A 11 -10.465 3.704 -0.495 1.00 0.61 H new ATOM 0 HD11 LEU A 11 -11.790 3.088 1.513 1.00 0.69 H new ATOM 0 HD12 LEU A 11 -11.547 4.848 1.422 1.00 0.69 H new ATOM 0 HD13 LEU A 11 -13.114 4.141 0.960 1.00 0.69 H new ATOM 0 HD21 LEU A 11 -11.983 1.742 -0.575 1.00 1.08 H new ATOM 0 HD22 LEU A 11 -13.309 2.792 -1.130 1.00 1.08 H new ATOM 0 HD23 LEU A 11 -11.882 2.538 -2.163 1.00 1.08 H new ATOM 166 N GLN A 12 -10.864 7.876 -2.774 1.00 0.39 N ATOM 167 CA GLN A 12 -10.420 8.475 -4.068 1.00 0.35 C ATOM 168 C GLN A 12 -8.989 8.991 -3.919 1.00 0.35 C ATOM 169 O GLN A 12 -8.106 8.622 -4.669 1.00 0.43 O ATOM 170 CB GLN A 12 -11.353 9.629 -4.446 1.00 0.32 C ATOM 171 CG GLN A 12 -10.895 10.261 -5.762 1.00 1.35 C ATOM 172 CD GLN A 12 -11.175 9.295 -6.916 1.00 2.74 C ATOM 173 OE1 GLN A 12 -12.308 9.127 -7.320 1.00 2.96 O ATOM 174 NE2 GLN A 12 -10.184 8.650 -7.467 1.00 4.01 N ATOM 0 H GLN A 12 -11.585 8.399 -2.276 1.00 0.39 H new ATOM 0 HA GLN A 12 -10.452 7.720 -4.853 1.00 0.35 H new ATOM 0 HB2 GLN A 12 -12.375 9.264 -4.545 1.00 0.32 H new ATOM 0 HB3 GLN A 12 -11.357 10.379 -3.655 1.00 0.32 H new ATOM 0 HG2 GLN A 12 -11.418 11.203 -5.927 1.00 1.35 H new ATOM 0 HG3 GLN A 12 -9.831 10.491 -5.716 1.00 1.35 H new ATOM 0 HE21 GLN A 12 -9.232 8.791 -7.128 1.00 4.01 H new ATOM 0 HE22 GLN A 12 -10.361 8.005 -8.237 1.00 4.01 H new ATOM 183 N GLU A 13 -8.748 9.833 -2.954 1.00 0.31 N ATOM 184 CA GLU A 13 -7.367 10.353 -2.760 1.00 0.34 C ATOM 185 C GLU A 13 -6.446 9.178 -2.436 1.00 0.27 C ATOM 186 O GLU A 13 -5.287 9.161 -2.803 1.00 0.30 O ATOM 187 CB GLU A 13 -7.349 11.357 -1.607 1.00 0.37 C ATOM 188 CG GLU A 13 -6.326 12.456 -1.904 1.00 0.79 C ATOM 189 CD GLU A 13 -7.051 13.711 -2.390 1.00 1.41 C ATOM 190 OE1 GLU A 13 -7.896 13.584 -3.260 1.00 2.53 O ATOM 191 OE2 GLU A 13 -6.750 14.779 -1.882 1.00 1.65 O ATOM 0 H GLU A 13 -9.443 10.182 -2.295 1.00 0.31 H new ATOM 0 HA GLU A 13 -7.027 10.854 -3.667 1.00 0.34 H new ATOM 0 HB2 GLU A 13 -8.339 11.793 -1.475 1.00 0.37 H new ATOM 0 HB3 GLU A 13 -7.096 10.852 -0.675 1.00 0.37 H new ATOM 0 HG2 GLU A 13 -5.748 12.681 -1.008 1.00 0.79 H new ATOM 0 HG3 GLU A 13 -5.620 12.115 -2.661 1.00 0.79 H new ATOM 198 N ILE A 14 -6.959 8.186 -1.760 1.00 0.20 N ATOM 199 CA ILE A 14 -6.126 6.999 -1.421 1.00 0.14 C ATOM 200 C ILE A 14 -5.641 6.352 -2.718 1.00 0.20 C ATOM 201 O ILE A 14 -4.553 5.820 -2.792 1.00 0.25 O ATOM 202 CB ILE A 14 -6.978 5.995 -0.632 1.00 0.24 C ATOM 203 CG1 ILE A 14 -6.365 5.785 0.755 1.00 0.41 C ATOM 204 CG2 ILE A 14 -7.033 4.649 -1.372 1.00 0.43 C ATOM 205 CD1 ILE A 14 -7.480 5.500 1.764 1.00 0.47 C ATOM 0 H ILE A 14 -7.922 8.147 -1.427 1.00 0.20 H new ATOM 0 HA ILE A 14 -5.270 7.300 -0.817 1.00 0.14 H new ATOM 0 HB ILE A 14 -7.989 6.390 -0.534 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -5.660 4.954 0.731 1.00 0.41 H new ATOM 0 HG13 ILE A 14 -5.805 6.671 1.055 1.00 0.41 H new ATOM 0 HG21 ILE A 14 -7.640 3.945 -0.803 1.00 0.43 H new ATOM 0 HG22 ILE A 14 -7.474 4.794 -2.358 1.00 0.43 H new ATOM 0 HG23 ILE A 14 -6.024 4.252 -1.481 1.00 0.43 H new ATOM 0 HD11 ILE A 14 -7.046 5.350 2.753 1.00 0.47 H new ATOM 0 HD12 ILE A 14 -8.168 6.345 1.794 1.00 0.47 H new ATOM 0 HD13 ILE A 14 -8.021 4.602 1.465 1.00 0.47 H new ATOM 217 N ILE A 15 -6.460 6.380 -3.731 1.00 0.27 N ATOM 218 CA ILE A 15 -6.084 5.757 -5.030 1.00 0.34 C ATOM 219 C ILE A 15 -4.962 6.557 -5.691 1.00 0.31 C ATOM 220 O ILE A 15 -3.971 6.005 -6.130 1.00 0.37 O ATOM 221 CB ILE A 15 -7.311 5.740 -5.938 1.00 0.41 C ATOM 222 CG1 ILE A 15 -7.942 4.350 -5.898 1.00 0.74 C ATOM 223 CG2 ILE A 15 -6.904 6.073 -7.374 1.00 0.42 C ATOM 224 CD1 ILE A 15 -9.331 4.398 -6.526 1.00 1.23 C ATOM 0 H ILE A 15 -7.384 6.813 -3.714 1.00 0.27 H new ATOM 0 HA ILE A 15 -5.732 4.739 -4.861 1.00 0.34 H new ATOM 0 HB ILE A 15 -8.028 6.484 -5.591 1.00 0.41 H new ATOM 0 HG12 ILE A 15 -7.314 3.639 -6.435 1.00 0.74 H new ATOM 0 HG13 ILE A 15 -8.010 4.000 -4.868 1.00 0.74 H new ATOM 0 HG21 ILE A 15 -7.786 6.059 -8.015 1.00 0.42 H new ATOM 0 HG22 ILE A 15 -6.450 7.064 -7.403 1.00 0.42 H new ATOM 0 HG23 ILE A 15 -6.185 5.334 -7.729 1.00 0.42 H new ATOM 0 HD11 ILE A 15 -9.778 3.405 -6.496 1.00 1.23 H new ATOM 0 HD12 ILE A 15 -9.958 5.095 -5.970 1.00 1.23 H new ATOM 0 HD13 ILE A 15 -9.251 4.729 -7.562 1.00 1.23 H new ATOM 236 N LYS A 16 -5.110 7.850 -5.776 1.00 0.25 N ATOM 237 CA LYS A 16 -4.043 8.676 -6.416 1.00 0.23 C ATOM 238 C LYS A 16 -2.707 8.391 -5.730 1.00 0.22 C ATOM 239 O LYS A 16 -1.670 8.321 -6.363 1.00 0.28 O ATOM 240 CB LYS A 16 -4.386 10.160 -6.275 1.00 0.19 C ATOM 241 CG LYS A 16 -3.296 10.998 -6.946 1.00 1.66 C ATOM 242 CD LYS A 16 -2.760 12.031 -5.953 1.00 3.25 C ATOM 243 CE LYS A 16 -3.918 12.880 -5.424 1.00 3.04 C ATOM 244 NZ LYS A 16 -3.382 14.143 -4.846 1.00 4.50 N ATOM 0 H LYS A 16 -5.918 8.370 -5.433 1.00 0.25 H new ATOM 0 HA LYS A 16 -3.972 8.424 -7.474 1.00 0.23 H new ATOM 0 HB2 LYS A 16 -5.353 10.366 -6.733 1.00 0.19 H new ATOM 0 HB3 LYS A 16 -4.469 10.427 -5.222 1.00 0.19 H new ATOM 0 HG2 LYS A 16 -2.486 10.353 -7.288 1.00 1.66 H new ATOM 0 HG3 LYS A 16 -3.698 11.499 -7.826 1.00 1.66 H new ATOM 0 HD2 LYS A 16 -2.256 11.529 -5.127 1.00 3.25 H new ATOM 0 HD3 LYS A 16 -2.020 12.668 -6.438 1.00 3.25 H new ATOM 0 HE2 LYS A 16 -4.617 13.104 -6.230 1.00 3.04 H new ATOM 0 HE3 LYS A 16 -4.472 12.327 -4.666 1.00 3.04 H new ATOM 0 HZ1 LYS A 16 -4.168 14.721 -4.486 1.00 4.50 H new ATOM 0 HZ2 LYS A 16 -2.731 13.919 -4.066 1.00 4.50 H new ATOM 0 HZ3 LYS A 16 -2.872 14.672 -5.582 1.00 4.50 H new ATOM 258 N THR A 17 -2.727 8.221 -4.438 1.00 0.21 N ATOM 259 CA THR A 17 -1.466 7.932 -3.700 1.00 0.19 C ATOM 260 C THR A 17 -0.992 6.519 -4.046 1.00 0.19 C ATOM 261 O THR A 17 0.190 6.243 -4.107 1.00 0.22 O ATOM 262 CB THR A 17 -1.735 8.026 -2.196 1.00 0.16 C ATOM 263 OG1 THR A 17 -2.586 9.135 -1.938 1.00 0.13 O ATOM 264 CG2 THR A 17 -0.416 8.210 -1.447 1.00 0.14 C ATOM 0 H THR A 17 -3.565 8.270 -3.859 1.00 0.21 H new ATOM 0 HA THR A 17 -0.698 8.652 -3.981 1.00 0.19 H new ATOM 0 HB THR A 17 -2.216 7.109 -1.856 1.00 0.16 H new ATOM 0 HG1 THR A 17 -3.509 8.899 -2.168 1.00 0.13 H new ATOM 0 HG21 THR A 17 -0.612 8.277 -0.377 1.00 0.14 H new ATOM 0 HG22 THR A 17 0.236 7.359 -1.645 1.00 0.14 H new ATOM 0 HG23 THR A 17 0.070 9.126 -1.785 1.00 0.14 H new ATOM 272 N LEU A 18 -1.913 5.624 -4.269 1.00 0.20 N ATOM 273 CA LEU A 18 -1.538 4.222 -4.610 1.00 0.19 C ATOM 274 C LEU A 18 -0.673 4.210 -5.875 1.00 0.26 C ATOM 275 O LEU A 18 0.250 3.430 -5.998 1.00 0.32 O ATOM 276 CB LEU A 18 -2.811 3.405 -4.861 1.00 0.22 C ATOM 277 CG LEU A 18 -2.593 1.953 -4.430 1.00 0.11 C ATOM 278 CD1 LEU A 18 -1.390 1.369 -5.173 1.00 0.98 C ATOM 279 CD2 LEU A 18 -2.333 1.902 -2.923 1.00 1.22 C ATOM 0 H LEU A 18 -2.916 5.804 -4.230 1.00 0.20 H new ATOM 0 HA LEU A 18 -0.976 3.787 -3.783 1.00 0.19 H new ATOM 0 HB2 LEU A 18 -3.645 3.836 -4.307 1.00 0.22 H new ATOM 0 HB3 LEU A 18 -3.076 3.444 -5.918 1.00 0.22 H new ATOM 0 HG LEU A 18 -3.482 1.370 -4.668 1.00 0.11 H new ATOM 0 HD11 LEU A 18 -1.238 0.335 -4.863 1.00 0.98 H new ATOM 0 HD12 LEU A 18 -1.574 1.403 -6.247 1.00 0.98 H new ATOM 0 HD13 LEU A 18 -0.500 1.952 -4.939 1.00 0.98 H new ATOM 0 HD21 LEU A 18 -2.178 0.868 -2.615 1.00 1.22 H new ATOM 0 HD22 LEU A 18 -1.445 2.488 -2.687 1.00 1.22 H new ATOM 0 HD23 LEU A 18 -3.191 2.314 -2.392 1.00 1.22 H new ATOM 291 N ASN A 19 -0.973 5.061 -6.818 1.00 0.37 N ATOM 292 CA ASN A 19 -0.176 5.088 -8.080 1.00 0.46 C ATOM 293 C ASN A 19 1.145 5.828 -7.853 1.00 0.44 C ATOM 294 O ASN A 19 2.154 5.510 -8.452 1.00 0.54 O ATOM 295 CB ASN A 19 -0.976 5.803 -9.171 1.00 0.53 C ATOM 296 CG ASN A 19 -0.418 5.426 -10.545 1.00 1.15 C ATOM 297 OD1 ASN A 19 0.651 4.858 -10.644 1.00 1.94 O ATOM 298 ND2 ASN A 19 -1.101 5.721 -11.618 1.00 0.98 N ATOM 0 H ASN A 19 -1.734 5.738 -6.770 1.00 0.37 H new ATOM 0 HA ASN A 19 0.037 4.064 -8.388 1.00 0.46 H new ATOM 0 HB2 ASN A 19 -2.028 5.526 -9.106 1.00 0.53 H new ATOM 0 HB3 ASN A 19 -0.921 6.882 -9.028 1.00 0.53 H new ATOM 0 HD21 ASN A 19 -0.737 5.474 -12.538 1.00 0.98 H new ATOM 0 HD22 ASN A 19 -1.999 6.198 -11.536 1.00 0.98 H new ATOM 305 N SER A 20 1.150 6.820 -7.007 1.00 0.35 N ATOM 306 CA SER A 20 2.409 7.582 -6.761 1.00 0.34 C ATOM 307 C SER A 20 3.468 6.671 -6.132 1.00 0.39 C ATOM 308 O SER A 20 4.652 6.855 -6.334 1.00 0.53 O ATOM 309 CB SER A 20 2.121 8.750 -5.820 1.00 0.28 C ATOM 310 OG SER A 20 0.785 9.194 -6.014 1.00 1.11 O ATOM 0 H SER A 20 0.339 7.137 -6.475 1.00 0.35 H new ATOM 0 HA SER A 20 2.786 7.958 -7.712 1.00 0.34 H new ATOM 0 HB2 SER A 20 2.267 8.442 -4.785 1.00 0.28 H new ATOM 0 HB3 SER A 20 2.818 9.566 -6.011 1.00 0.28 H new ATOM 0 HG SER A 20 0.690 10.107 -5.670 1.00 1.11 H new ATOM 316 N LEU A 21 3.061 5.695 -5.367 1.00 0.31 N ATOM 317 CA LEU A 21 4.060 4.790 -4.729 1.00 0.42 C ATOM 318 C LEU A 21 4.639 3.827 -5.771 1.00 0.55 C ATOM 319 O LEU A 21 5.732 3.321 -5.615 1.00 0.69 O ATOM 320 CB LEU A 21 3.388 3.990 -3.611 1.00 0.40 C ATOM 321 CG LEU A 21 3.386 4.820 -2.326 1.00 0.51 C ATOM 322 CD1 LEU A 21 2.070 4.605 -1.578 1.00 0.52 C ATOM 323 CD2 LEU A 21 4.555 4.385 -1.438 1.00 0.61 C ATOM 0 H LEU A 21 2.085 5.485 -5.157 1.00 0.31 H new ATOM 0 HA LEU A 21 4.868 5.391 -4.312 1.00 0.42 H new ATOM 0 HB2 LEU A 21 2.367 3.735 -3.894 1.00 0.40 H new ATOM 0 HB3 LEU A 21 3.918 3.051 -3.450 1.00 0.40 H new ATOM 0 HG LEU A 21 3.491 5.876 -2.576 1.00 0.51 H new ATOM 0 HD11 LEU A 21 2.071 5.197 -0.663 1.00 0.52 H new ATOM 0 HD12 LEU A 21 1.238 4.915 -2.210 1.00 0.52 H new ATOM 0 HD13 LEU A 21 1.962 3.550 -1.327 1.00 0.52 H new ATOM 0 HD21 LEU A 21 4.555 4.975 -0.522 1.00 0.61 H new ATOM 0 HD22 LEU A 21 4.450 3.329 -1.189 1.00 0.61 H new ATOM 0 HD23 LEU A 21 5.494 4.540 -1.970 1.00 0.61 H new ATOM 335 N THR A 22 3.923 3.567 -6.833 1.00 0.56 N ATOM 336 CA THR A 22 4.453 2.636 -7.871 1.00 0.73 C ATOM 337 C THR A 22 5.436 3.366 -8.801 1.00 0.65 C ATOM 338 O THR A 22 5.966 2.782 -9.725 1.00 0.66 O ATOM 339 CB THR A 22 3.294 2.072 -8.702 1.00 0.84 C ATOM 340 OG1 THR A 22 2.272 3.051 -8.820 1.00 0.83 O ATOM 341 CG2 THR A 22 2.733 0.826 -8.016 1.00 1.87 C ATOM 0 H THR A 22 3.000 3.956 -7.026 1.00 0.56 H new ATOM 0 HA THR A 22 4.978 1.823 -7.370 1.00 0.73 H new ATOM 0 HB THR A 22 3.656 1.807 -9.695 1.00 0.84 H new ATOM 0 HG1 THR A 22 2.678 3.936 -8.927 1.00 0.83 H new ATOM 0 HG21 THR A 22 1.909 0.425 -8.607 1.00 1.87 H new ATOM 0 HG22 THR A 22 3.517 0.074 -7.930 1.00 1.87 H new ATOM 0 HG23 THR A 22 2.372 1.089 -7.022 1.00 1.87 H new ATOM 349 N GLU A 23 5.693 4.631 -8.573 1.00 0.57 N ATOM 350 CA GLU A 23 6.646 5.361 -9.456 1.00 0.51 C ATOM 351 C GLU A 23 8.015 4.679 -9.395 1.00 0.46 C ATOM 352 O GLU A 23 8.698 4.541 -10.390 1.00 0.35 O ATOM 353 CB GLU A 23 6.770 6.810 -8.980 1.00 0.56 C ATOM 354 CG GLU A 23 6.360 7.757 -10.109 1.00 0.54 C ATOM 355 CD GLU A 23 4.835 7.781 -10.225 1.00 1.89 C ATOM 356 OE1 GLU A 23 4.198 6.965 -9.580 1.00 2.85 O ATOM 357 OE2 GLU A 23 4.329 8.615 -10.957 1.00 2.49 O ATOM 0 H GLU A 23 5.286 5.184 -7.818 1.00 0.57 H new ATOM 0 HA GLU A 23 6.280 5.348 -10.483 1.00 0.51 H new ATOM 0 HB2 GLU A 23 6.137 6.972 -8.108 1.00 0.56 H new ATOM 0 HB3 GLU A 23 7.795 7.016 -8.673 1.00 0.56 H new ATOM 0 HG2 GLU A 23 6.736 8.761 -9.911 1.00 0.54 H new ATOM 0 HG3 GLU A 23 6.802 7.431 -11.050 1.00 0.54 H new ATOM 364 N GLN A 24 8.414 4.246 -8.232 1.00 0.56 N ATOM 365 CA GLN A 24 9.731 3.562 -8.095 1.00 0.54 C ATOM 366 C GLN A 24 9.522 2.052 -8.219 1.00 0.60 C ATOM 367 O GLN A 24 9.927 1.287 -7.368 1.00 0.84 O ATOM 368 CB GLN A 24 10.327 3.883 -6.721 1.00 0.69 C ATOM 369 CG GLN A 24 11.087 5.209 -6.790 1.00 1.09 C ATOM 370 CD GLN A 24 12.155 5.240 -5.695 1.00 1.65 C ATOM 371 OE1 GLN A 24 12.112 4.456 -4.767 1.00 2.55 O ATOM 372 NE2 GLN A 24 13.119 6.117 -5.762 1.00 1.77 N ATOM 0 H GLN A 24 7.882 4.337 -7.366 1.00 0.56 H new ATOM 0 HA GLN A 24 10.411 3.905 -8.875 1.00 0.54 H new ATOM 0 HB2 GLN A 24 9.535 3.944 -5.975 1.00 0.69 H new ATOM 0 HB3 GLN A 24 10.998 3.083 -6.408 1.00 0.69 H new ATOM 0 HG2 GLN A 24 11.551 5.324 -7.769 1.00 1.09 H new ATOM 0 HG3 GLN A 24 10.397 6.043 -6.664 1.00 1.09 H new ATOM 0 HE21 GLN A 24 13.156 6.775 -6.540 1.00 1.77 H new ATOM 0 HE22 GLN A 24 13.835 6.144 -5.036 1.00 1.77 H new ATOM 381 N LYS A 25 8.880 1.620 -9.271 1.00 0.73 N ATOM 382 CA LYS A 25 8.629 0.160 -9.446 1.00 1.11 C ATOM 383 C LYS A 25 9.823 -0.502 -10.140 1.00 1.31 C ATOM 384 O LYS A 25 9.779 -0.794 -11.316 1.00 2.00 O ATOM 385 CB LYS A 25 7.379 -0.040 -10.304 1.00 1.66 C ATOM 386 CG LYS A 25 6.211 -0.474 -9.419 1.00 0.49 C ATOM 387 CD LYS A 25 4.999 -0.792 -10.295 1.00 1.40 C ATOM 388 CE LYS A 25 4.536 -2.224 -10.022 1.00 1.86 C ATOM 389 NZ LYS A 25 3.125 -2.382 -10.472 1.00 2.70 N ATOM 0 H LYS A 25 8.519 2.215 -10.017 1.00 0.73 H new ATOM 0 HA LYS A 25 8.486 -0.294 -8.466 1.00 1.11 H new ATOM 0 HB2 LYS A 25 7.130 0.886 -10.823 1.00 1.66 H new ATOM 0 HB3 LYS A 25 7.568 -0.793 -11.069 1.00 1.66 H new ATOM 0 HG2 LYS A 25 6.490 -1.350 -8.834 1.00 0.49 H new ATOM 0 HG3 LYS A 25 5.964 0.317 -8.711 1.00 0.49 H new ATOM 0 HD2 LYS A 25 4.191 -0.091 -10.086 1.00 1.40 H new ATOM 0 HD3 LYS A 25 5.257 -0.676 -11.348 1.00 1.40 H new ATOM 0 HE2 LYS A 25 5.178 -2.932 -10.547 1.00 1.86 H new ATOM 0 HE3 LYS A 25 4.617 -2.448 -8.958 1.00 1.86 H new ATOM 0 HZ1 LYS A 25 2.809 -3.355 -10.287 1.00 2.70 H new ATOM 0 HZ2 LYS A 25 2.518 -1.716 -9.952 1.00 2.70 H new ATOM 0 HZ3 LYS A 25 3.062 -2.185 -11.491 1.00 2.70 H new ATOM 403 N THR A 26 10.888 -0.752 -9.426 1.00 0.82 N ATOM 404 CA THR A 26 12.065 -1.403 -10.069 1.00 1.12 C ATOM 405 C THR A 26 13.139 -1.706 -9.019 1.00 0.91 C ATOM 406 O THR A 26 13.526 -2.840 -8.823 1.00 0.90 O ATOM 407 CB THR A 26 12.647 -0.466 -11.134 1.00 1.42 C ATOM 408 OG1 THR A 26 12.106 0.836 -10.961 1.00 1.68 O ATOM 409 CG2 THR A 26 12.298 -0.982 -12.533 1.00 1.31 C ATOM 0 H THR A 26 10.993 -0.536 -8.435 1.00 0.82 H new ATOM 0 HA THR A 26 11.745 -2.336 -10.532 1.00 1.12 H new ATOM 0 HB THR A 26 13.731 -0.431 -11.027 1.00 1.42 H new ATOM 0 HG1 THR A 26 12.478 1.437 -11.640 1.00 1.68 H new ATOM 0 HG21 THR A 26 12.715 -0.310 -13.283 1.00 1.31 H new ATOM 0 HG22 THR A 26 12.715 -1.980 -12.667 1.00 1.31 H new ATOM 0 HG23 THR A 26 11.215 -1.023 -12.646 1.00 1.31 H new ATOM 417 N LEU A 27 13.636 -0.699 -8.356 1.00 0.80 N ATOM 418 CA LEU A 27 14.700 -0.925 -7.334 1.00 0.74 C ATOM 419 C LEU A 27 14.080 -1.167 -5.957 1.00 0.56 C ATOM 420 O LEU A 27 14.557 -1.977 -5.188 1.00 0.65 O ATOM 421 CB LEU A 27 15.598 0.313 -7.272 1.00 0.85 C ATOM 422 CG LEU A 27 17.054 -0.098 -7.496 1.00 0.84 C ATOM 423 CD1 LEU A 27 17.851 1.108 -7.999 1.00 1.80 C ATOM 424 CD2 LEU A 27 17.653 -0.588 -6.175 1.00 1.58 C ATOM 0 H LEU A 27 13.352 0.273 -8.477 1.00 0.80 H new ATOM 0 HA LEU A 27 15.282 -1.803 -7.614 1.00 0.74 H new ATOM 0 HB2 LEU A 27 15.293 1.035 -8.030 1.00 0.85 H new ATOM 0 HB3 LEU A 27 15.493 0.803 -6.304 1.00 0.85 H new ATOM 0 HG LEU A 27 17.097 -0.898 -8.235 1.00 0.84 H new ATOM 0 HD11 LEU A 27 18.889 0.817 -8.159 1.00 1.80 H new ATOM 0 HD12 LEU A 27 17.424 1.460 -8.938 1.00 1.80 H new ATOM 0 HD13 LEU A 27 17.808 1.907 -7.259 1.00 1.80 H new ATOM 0 HD21 LEU A 27 18.691 -0.881 -6.333 1.00 1.58 H new ATOM 0 HD22 LEU A 27 17.611 0.213 -5.437 1.00 1.58 H new ATOM 0 HD23 LEU A 27 17.085 -1.445 -5.813 1.00 1.58 H new ATOM 436 N CYS A 28 13.035 -0.464 -5.632 1.00 0.40 N ATOM 437 CA CYS A 28 12.406 -0.652 -4.293 1.00 0.41 C ATOM 438 C CYS A 28 11.434 -1.840 -4.312 1.00 0.38 C ATOM 439 O CYS A 28 10.999 -2.303 -3.278 1.00 0.55 O ATOM 440 CB CYS A 28 11.656 0.623 -3.900 1.00 0.49 C ATOM 441 SG CYS A 28 12.619 1.522 -2.655 1.00 0.76 S ATOM 0 H CYS A 28 12.588 0.231 -6.231 1.00 0.40 H new ATOM 0 HA CYS A 28 13.189 -0.859 -3.563 1.00 0.41 H new ATOM 0 HB2 CYS A 28 11.497 1.251 -4.777 1.00 0.49 H new ATOM 0 HB3 CYS A 28 10.672 0.373 -3.505 1.00 0.49 H new ATOM 446 N THR A 29 11.090 -2.347 -5.468 1.00 0.35 N ATOM 447 CA THR A 29 10.153 -3.505 -5.512 1.00 0.39 C ATOM 448 C THR A 29 10.931 -4.825 -5.434 1.00 0.35 C ATOM 449 O THR A 29 10.378 -5.888 -5.637 1.00 0.40 O ATOM 450 CB THR A 29 9.357 -3.467 -6.814 1.00 0.62 C ATOM 451 OG1 THR A 29 10.253 -3.519 -7.917 1.00 0.75 O ATOM 452 CG2 THR A 29 8.545 -2.177 -6.871 1.00 0.90 C ATOM 0 H THR A 29 11.415 -2.012 -6.375 1.00 0.35 H new ATOM 0 HA THR A 29 9.476 -3.441 -4.660 1.00 0.39 H new ATOM 0 HB THR A 29 8.682 -4.322 -6.857 1.00 0.62 H new ATOM 0 HG1 THR A 29 9.743 -3.496 -8.754 1.00 0.75 H new ATOM 0 HG21 THR A 29 7.975 -2.146 -7.800 1.00 0.90 H new ATOM 0 HG22 THR A 29 7.860 -2.140 -6.024 1.00 0.90 H new ATOM 0 HG23 THR A 29 9.219 -1.321 -6.830 1.00 0.90 H new ATOM 460 N GLU A 30 12.204 -4.778 -5.137 1.00 0.45 N ATOM 461 CA GLU A 30 12.991 -6.038 -5.044 1.00 0.64 C ATOM 462 C GLU A 30 12.956 -6.538 -3.595 1.00 0.74 C ATOM 463 O GLU A 30 13.974 -6.822 -2.994 1.00 1.25 O ATOM 464 CB GLU A 30 14.434 -5.760 -5.484 1.00 0.82 C ATOM 465 CG GLU A 30 14.704 -6.451 -6.823 1.00 0.89 C ATOM 466 CD GLU A 30 15.621 -7.656 -6.600 1.00 1.37 C ATOM 467 OE1 GLU A 30 15.103 -8.729 -6.338 1.00 2.49 O ATOM 468 OE2 GLU A 30 16.825 -7.485 -6.692 1.00 1.25 O ATOM 0 H GLU A 30 12.729 -3.923 -4.956 1.00 0.45 H new ATOM 0 HA GLU A 30 12.567 -6.803 -5.694 1.00 0.64 H new ATOM 0 HB2 GLU A 30 14.596 -4.686 -5.578 1.00 0.82 H new ATOM 0 HB3 GLU A 30 15.132 -6.122 -4.729 1.00 0.82 H new ATOM 0 HG2 GLU A 30 13.765 -6.773 -7.274 1.00 0.89 H new ATOM 0 HG3 GLU A 30 15.168 -5.751 -7.518 1.00 0.89 H new ATOM 475 N LEU A 31 11.782 -6.648 -3.032 1.00 0.43 N ATOM 476 CA LEU A 31 11.652 -7.126 -1.629 1.00 0.70 C ATOM 477 C LEU A 31 10.363 -7.941 -1.512 1.00 0.78 C ATOM 478 O LEU A 31 9.298 -7.399 -1.295 1.00 1.50 O ATOM 479 CB LEU A 31 11.575 -5.932 -0.668 1.00 0.81 C ATOM 480 CG LEU A 31 12.876 -5.125 -0.713 1.00 0.52 C ATOM 481 CD1 LEU A 31 12.673 -3.797 0.019 1.00 0.97 C ATOM 482 CD2 LEU A 31 13.996 -5.912 -0.028 1.00 0.80 C ATOM 0 H LEU A 31 10.899 -6.424 -3.492 1.00 0.43 H new ATOM 0 HA LEU A 31 12.518 -7.735 -1.371 1.00 0.70 H new ATOM 0 HB2 LEU A 31 10.734 -5.293 -0.938 1.00 0.81 H new ATOM 0 HB3 LEU A 31 11.394 -6.285 0.347 1.00 0.81 H new ATOM 0 HG LEU A 31 13.148 -4.937 -1.752 1.00 0.52 H new ATOM 0 HD11 LEU A 31 13.597 -3.220 -0.011 1.00 0.97 H new ATOM 0 HD12 LEU A 31 11.877 -3.232 -0.466 1.00 0.97 H new ATOM 0 HD13 LEU A 31 12.400 -3.991 1.056 1.00 0.97 H new ATOM 0 HD21 LEU A 31 14.920 -5.335 -0.062 1.00 0.80 H new ATOM 0 HD22 LEU A 31 13.725 -6.102 1.011 1.00 0.80 H new ATOM 0 HD23 LEU A 31 14.142 -6.861 -0.544 1.00 0.80 H new ATOM 494 N THR A 32 10.459 -9.235 -1.672 1.00 0.23 N ATOM 495 CA THR A 32 9.247 -10.108 -1.586 1.00 0.30 C ATOM 496 C THR A 32 8.433 -9.757 -0.336 1.00 0.25 C ATOM 497 O THR A 32 8.965 -9.295 0.654 1.00 0.17 O ATOM 498 CB THR A 32 9.684 -11.572 -1.513 1.00 0.40 C ATOM 499 OG1 THR A 32 10.908 -11.664 -0.796 1.00 0.40 O ATOM 500 CG2 THR A 32 9.879 -12.118 -2.929 1.00 0.52 C ATOM 0 H THR A 32 11.331 -9.730 -1.860 1.00 0.23 H new ATOM 0 HA THR A 32 8.628 -9.950 -2.469 1.00 0.30 H new ATOM 0 HB THR A 32 8.918 -12.156 -1.002 1.00 0.40 H new ATOM 0 HG1 THR A 32 11.189 -12.602 -0.747 1.00 0.40 H new ATOM 0 HG21 THR A 32 10.190 -13.161 -2.877 1.00 0.52 H new ATOM 0 HG22 THR A 32 8.941 -12.046 -3.479 1.00 0.52 H new ATOM 0 HG23 THR A 32 10.645 -11.536 -3.441 1.00 0.52 H new ATOM 508 N VAL A 33 7.144 -9.966 -0.377 1.00 0.34 N ATOM 509 CA VAL A 33 6.298 -9.638 0.802 1.00 0.29 C ATOM 510 C VAL A 33 5.175 -10.671 0.928 1.00 0.31 C ATOM 511 O VAL A 33 5.188 -11.696 0.275 1.00 0.46 O ATOM 512 CB VAL A 33 5.702 -8.239 0.622 1.00 0.25 C ATOM 513 CG1 VAL A 33 6.835 -7.215 0.532 1.00 0.14 C ATOM 514 CG2 VAL A 33 4.875 -8.193 -0.668 1.00 0.33 C ATOM 0 H VAL A 33 6.642 -10.350 -1.178 1.00 0.34 H new ATOM 0 HA VAL A 33 6.904 -9.658 1.708 1.00 0.29 H new ATOM 0 HB VAL A 33 5.061 -8.006 1.472 1.00 0.25 H new ATOM 0 HG11 VAL A 33 6.415 -6.218 0.404 1.00 0.14 H new ATOM 0 HG12 VAL A 33 7.426 -7.245 1.447 1.00 0.14 H new ATOM 0 HG13 VAL A 33 7.473 -7.452 -0.319 1.00 0.14 H new ATOM 0 HG21 VAL A 33 4.452 -7.196 -0.794 1.00 0.33 H new ATOM 0 HG22 VAL A 33 5.515 -8.425 -1.519 1.00 0.33 H new ATOM 0 HG23 VAL A 33 4.069 -8.925 -0.610 1.00 0.33 H new ATOM 524 N THR A 34 4.206 -10.414 1.762 1.00 0.36 N ATOM 525 CA THR A 34 3.090 -11.385 1.927 1.00 0.42 C ATOM 526 C THR A 34 2.122 -11.265 0.749 1.00 0.28 C ATOM 527 O THR A 34 1.787 -10.181 0.314 1.00 0.21 O ATOM 528 CB THR A 34 2.353 -11.090 3.241 1.00 0.51 C ATOM 529 OG1 THR A 34 2.396 -12.242 4.071 1.00 0.77 O ATOM 530 CG2 THR A 34 0.891 -10.714 2.964 1.00 0.61 C ATOM 0 H THR A 34 4.139 -9.574 2.336 1.00 0.36 H new ATOM 0 HA THR A 34 3.489 -12.399 1.955 1.00 0.42 H new ATOM 0 HB THR A 34 2.841 -10.253 3.740 1.00 0.51 H new ATOM 0 HG1 THR A 34 1.861 -12.085 4.877 1.00 0.77 H new ATOM 0 HG21 THR A 34 0.383 -10.508 3.906 1.00 0.61 H new ATOM 0 HG22 THR A 34 0.857 -9.826 2.332 1.00 0.61 H new ATOM 0 HG23 THR A 34 0.393 -11.540 2.456 1.00 0.61 H new ATOM 538 N ASP A 35 1.662 -12.373 0.238 1.00 0.27 N ATOM 539 CA ASP A 35 0.705 -12.329 -0.903 1.00 0.25 C ATOM 540 C ASP A 35 -0.721 -12.368 -0.353 1.00 0.18 C ATOM 541 O ASP A 35 -1.189 -13.390 0.110 1.00 0.32 O ATOM 542 CB ASP A 35 0.935 -13.537 -1.813 1.00 0.41 C ATOM 543 CG ASP A 35 0.332 -13.260 -3.191 1.00 0.30 C ATOM 544 OD1 ASP A 35 -0.483 -12.357 -3.287 1.00 1.15 O ATOM 545 OD2 ASP A 35 0.694 -13.957 -4.125 1.00 1.70 O ATOM 0 H ASP A 35 1.908 -13.309 0.562 1.00 0.27 H new ATOM 0 HA ASP A 35 0.856 -11.415 -1.477 1.00 0.25 H new ATOM 0 HB2 ASP A 35 2.002 -13.738 -1.905 1.00 0.41 H new ATOM 0 HB3 ASP A 35 0.479 -14.426 -1.377 1.00 0.41 H new ATOM 550 N ILE A 36 -1.416 -11.266 -0.392 1.00 0.08 N ATOM 551 CA ILE A 36 -2.807 -11.245 0.139 1.00 0.22 C ATOM 552 C ILE A 36 -3.806 -11.435 -1.009 1.00 0.31 C ATOM 553 O ILE A 36 -4.926 -10.970 -0.950 1.00 0.62 O ATOM 554 CB ILE A 36 -3.061 -9.905 0.839 1.00 0.34 C ATOM 555 CG1 ILE A 36 -3.120 -8.777 -0.199 1.00 0.51 C ATOM 556 CG2 ILE A 36 -1.922 -9.627 1.823 1.00 0.28 C ATOM 557 CD1 ILE A 36 -3.427 -7.453 0.502 1.00 0.46 C ATOM 0 H ILE A 36 -1.081 -10.379 -0.769 1.00 0.08 H new ATOM 0 HA ILE A 36 -2.936 -12.057 0.854 1.00 0.22 H new ATOM 0 HB ILE A 36 -4.010 -9.952 1.373 1.00 0.34 H new ATOM 0 HG12 ILE A 36 -2.171 -8.708 -0.730 1.00 0.51 H new ATOM 0 HG13 ILE A 36 -3.887 -8.993 -0.943 1.00 0.51 H new ATOM 0 HG21 ILE A 36 -2.098 -8.675 2.324 1.00 0.28 H new ATOM 0 HG22 ILE A 36 -1.879 -10.425 2.565 1.00 0.28 H new ATOM 0 HG23 ILE A 36 -0.977 -9.583 1.282 1.00 0.28 H new ATOM 0 HD11 ILE A 36 -3.469 -6.652 -0.236 1.00 0.46 H new ATOM 0 HD12 ILE A 36 -4.387 -7.526 1.013 1.00 0.46 H new ATOM 0 HD13 ILE A 36 -2.644 -7.236 1.229 1.00 0.46 H new ATOM 569 N PHE A 37 -3.410 -12.115 -2.050 1.00 0.40 N ATOM 570 CA PHE A 37 -4.341 -12.333 -3.194 1.00 0.53 C ATOM 571 C PHE A 37 -4.256 -13.793 -3.646 1.00 0.61 C ATOM 572 O PHE A 37 -4.442 -14.106 -4.805 1.00 0.74 O ATOM 573 CB PHE A 37 -3.948 -11.419 -4.357 1.00 0.53 C ATOM 574 CG PHE A 37 -4.081 -9.977 -3.931 1.00 0.43 C ATOM 575 CD1 PHE A 37 -5.333 -9.353 -3.950 1.00 0.71 C ATOM 576 CD2 PHE A 37 -2.949 -9.264 -3.518 1.00 0.35 C ATOM 577 CE1 PHE A 37 -5.454 -8.014 -3.557 1.00 0.74 C ATOM 578 CE2 PHE A 37 -3.070 -7.926 -3.125 1.00 0.37 C ATOM 579 CZ PHE A 37 -4.322 -7.301 -3.145 1.00 0.49 C ATOM 0 H PHE A 37 -2.484 -12.528 -2.158 1.00 0.40 H new ATOM 0 HA PHE A 37 -5.360 -12.104 -2.881 1.00 0.53 H new ATOM 0 HB2 PHE A 37 -2.923 -11.625 -4.665 1.00 0.53 H new ATOM 0 HB3 PHE A 37 -4.586 -11.615 -5.219 1.00 0.53 H new ATOM 0 HD1 PHE A 37 -6.206 -9.904 -4.268 1.00 0.71 H new ATOM 0 HD2 PHE A 37 -1.983 -9.746 -3.503 1.00 0.35 H new ATOM 0 HE1 PHE A 37 -6.420 -7.532 -3.572 1.00 0.74 H new ATOM 0 HE2 PHE A 37 -2.197 -7.376 -2.806 1.00 0.37 H new ATOM 0 HZ PHE A 37 -4.415 -6.268 -2.843 1.00 0.49 H new ATOM 589 N ALA A 38 -3.977 -14.686 -2.738 1.00 0.54 N ATOM 590 CA ALA A 38 -3.879 -16.124 -3.112 1.00 0.62 C ATOM 591 C ALA A 38 -5.282 -16.725 -3.201 1.00 0.83 C ATOM 592 O ALA A 38 -5.698 -17.211 -4.233 1.00 1.16 O ATOM 593 CB ALA A 38 -3.070 -16.872 -2.051 1.00 0.53 C ATOM 0 H ALA A 38 -3.812 -14.482 -1.752 1.00 0.54 H new ATOM 0 HA ALA A 38 -3.383 -16.215 -4.079 1.00 0.62 H new ATOM 0 HB1 ALA A 38 -2.998 -17.925 -2.324 1.00 0.53 H new ATOM 0 HB2 ALA A 38 -2.070 -16.444 -1.988 1.00 0.53 H new ATOM 0 HB3 ALA A 38 -3.566 -16.781 -1.084 1.00 0.53 H new ATOM 599 N ALA A 39 -6.013 -16.695 -2.123 1.00 1.02 N ATOM 600 CA ALA A 39 -7.390 -17.264 -2.140 1.00 1.33 C ATOM 601 C ALA A 39 -8.249 -16.555 -1.091 1.00 1.23 C ATOM 602 O ALA A 39 -8.417 -17.033 0.013 1.00 2.04 O ATOM 603 CB ALA A 39 -7.327 -18.759 -1.822 1.00 2.30 C ATOM 0 H ALA A 39 -5.717 -16.301 -1.230 1.00 1.02 H new ATOM 0 HA ALA A 39 -7.830 -17.120 -3.127 1.00 1.33 H new ATOM 0 HB1 ALA A 39 -8.334 -19.176 -1.834 1.00 2.30 H new ATOM 0 HB2 ALA A 39 -6.716 -19.265 -2.569 1.00 2.30 H new ATOM 0 HB3 ALA A 39 -6.887 -18.903 -0.835 1.00 2.30 H new ATOM 609 N SER A 40 -8.796 -15.420 -1.428 1.00 0.60 N ATOM 610 CA SER A 40 -9.646 -14.685 -0.448 1.00 0.89 C ATOM 611 C SER A 40 -11.119 -14.860 -0.820 1.00 0.51 C ATOM 612 O SER A 40 -11.611 -14.253 -1.751 1.00 0.38 O ATOM 613 CB SER A 40 -9.286 -13.199 -0.472 1.00 1.32 C ATOM 614 OG SER A 40 -9.495 -12.644 0.820 1.00 2.40 O ATOM 0 H SER A 40 -8.692 -14.970 -2.337 1.00 0.60 H new ATOM 0 HA SER A 40 -9.474 -15.083 0.552 1.00 0.89 H new ATOM 0 HB2 SER A 40 -8.246 -13.070 -0.772 1.00 1.32 H new ATOM 0 HB3 SER A 40 -9.897 -12.677 -1.208 1.00 1.32 H new ATOM 0 HG SER A 40 -9.264 -11.692 0.808 1.00 2.40 H new ATOM 620 N LYS A 41 -11.825 -15.689 -0.103 1.00 0.92 N ATOM 621 CA LYS A 41 -13.265 -15.905 -0.417 1.00 0.71 C ATOM 622 C LYS A 41 -14.087 -15.822 0.871 1.00 1.39 C ATOM 623 O LYS A 41 -15.097 -16.482 1.017 1.00 2.20 O ATOM 624 CB LYS A 41 -13.447 -17.289 -1.046 1.00 1.63 C ATOM 625 CG LYS A 41 -13.000 -17.250 -2.510 1.00 2.29 C ATOM 626 CD LYS A 41 -13.764 -18.308 -3.308 1.00 3.37 C ATOM 627 CE LYS A 41 -13.122 -18.473 -4.687 1.00 4.32 C ATOM 628 NZ LYS A 41 -13.431 -17.281 -5.527 1.00 5.47 N ATOM 0 H LYS A 41 -11.467 -16.226 0.687 1.00 0.92 H new ATOM 0 HA LYS A 41 -13.603 -15.139 -1.115 1.00 0.71 H new ATOM 0 HB2 LYS A 41 -12.864 -18.029 -0.497 1.00 1.63 H new ATOM 0 HB3 LYS A 41 -14.491 -17.594 -0.982 1.00 1.63 H new ATOM 0 HG2 LYS A 41 -13.182 -16.261 -2.930 1.00 2.29 H new ATOM 0 HG3 LYS A 41 -11.928 -17.433 -2.578 1.00 2.29 H new ATOM 0 HD2 LYS A 41 -13.753 -19.258 -2.775 1.00 3.37 H new ATOM 0 HD3 LYS A 41 -14.808 -18.014 -3.415 1.00 3.37 H new ATOM 0 HE2 LYS A 41 -12.043 -18.589 -4.586 1.00 4.32 H new ATOM 0 HE3 LYS A 41 -13.496 -19.377 -5.168 1.00 4.32 H new ATOM 0 HZ1 LYS A 41 -13.009 -17.402 -6.470 1.00 5.47 H new ATOM 0 HZ2 LYS A 41 -14.462 -17.180 -5.620 1.00 5.47 H new ATOM 0 HZ3 LYS A 41 -13.038 -16.429 -5.078 1.00 5.47 H new ATOM 642 N ASP A 42 -13.665 -15.017 1.808 1.00 1.25 N ATOM 643 CA ASP A 42 -14.425 -14.898 3.084 1.00 2.09 C ATOM 644 C ASP A 42 -13.889 -13.715 3.894 1.00 2.22 C ATOM 645 O ASP A 42 -13.824 -13.759 5.107 1.00 2.77 O ATOM 646 CB ASP A 42 -14.265 -16.186 3.894 1.00 2.70 C ATOM 647 CG ASP A 42 -12.856 -16.248 4.483 1.00 3.95 C ATOM 648 OD1 ASP A 42 -11.911 -16.097 3.725 1.00 4.69 O ATOM 649 OD2 ASP A 42 -12.743 -16.442 5.681 1.00 4.68 O ATOM 0 H ASP A 42 -12.828 -14.438 1.745 1.00 1.25 H new ATOM 0 HA ASP A 42 -15.480 -14.735 2.863 1.00 2.09 H new ATOM 0 HB2 ASP A 42 -15.006 -16.220 4.693 1.00 2.70 H new ATOM 0 HB3 ASP A 42 -14.443 -17.053 3.257 1.00 2.70 H new ATOM 654 N THR A 43 -13.505 -12.657 3.235 1.00 1.80 N ATOM 655 CA THR A 43 -12.976 -11.475 3.972 1.00 1.97 C ATOM 656 C THR A 43 -13.736 -10.220 3.539 1.00 2.11 C ATOM 657 O THR A 43 -14.603 -10.271 2.689 1.00 2.37 O ATOM 658 CB THR A 43 -11.488 -11.301 3.663 1.00 1.67 C ATOM 659 OG1 THR A 43 -10.955 -12.533 3.198 1.00 2.65 O ATOM 660 CG2 THR A 43 -10.748 -10.871 4.932 1.00 1.47 C ATOM 0 H THR A 43 -13.534 -12.560 2.220 1.00 1.80 H new ATOM 0 HA THR A 43 -13.108 -11.629 5.043 1.00 1.97 H new ATOM 0 HB THR A 43 -11.364 -10.537 2.895 1.00 1.67 H new ATOM 0 HG1 THR A 43 -10.505 -12.391 2.339 1.00 2.65 H new ATOM 0 HG21 THR A 43 -9.688 -10.747 4.711 1.00 1.47 H new ATOM 0 HG22 THR A 43 -11.157 -9.926 5.289 1.00 1.47 H new ATOM 0 HG23 THR A 43 -10.872 -11.633 5.701 1.00 1.47 H new ATOM 668 N THR A 44 -13.420 -9.094 4.119 1.00 2.11 N ATOM 669 CA THR A 44 -14.126 -7.839 3.742 1.00 2.28 C ATOM 670 C THR A 44 -13.134 -6.857 3.124 1.00 2.00 C ATOM 671 O THR A 44 -11.960 -7.141 3.004 1.00 2.05 O ATOM 672 CB THR A 44 -14.753 -7.211 4.989 1.00 2.70 C ATOM 673 OG1 THR A 44 -13.927 -7.475 6.115 1.00 3.04 O ATOM 674 CG2 THR A 44 -16.139 -7.812 5.221 1.00 3.60 C ATOM 0 H THR A 44 -12.703 -8.990 4.837 1.00 2.11 H new ATOM 0 HA THR A 44 -14.907 -8.069 3.017 1.00 2.28 H new ATOM 0 HB THR A 44 -14.844 -6.134 4.848 1.00 2.70 H new ATOM 0 HG1 THR A 44 -13.940 -8.435 6.312 1.00 3.04 H new ATOM 0 HG21 THR A 44 -16.586 -7.365 6.109 1.00 3.60 H new ATOM 0 HG22 THR A 44 -16.772 -7.612 4.356 1.00 3.60 H new ATOM 0 HG23 THR A 44 -16.049 -8.889 5.363 1.00 3.60 H new ATOM 682 N GLU A 45 -13.595 -5.701 2.730 1.00 1.76 N ATOM 683 CA GLU A 45 -12.668 -4.707 2.124 1.00 1.56 C ATOM 684 C GLU A 45 -11.881 -4.015 3.233 1.00 1.21 C ATOM 685 O GLU A 45 -10.704 -3.779 3.112 1.00 1.11 O ATOM 686 CB GLU A 45 -13.463 -3.659 1.337 1.00 1.63 C ATOM 687 CG GLU A 45 -14.303 -2.816 2.299 1.00 1.59 C ATOM 688 CD GLU A 45 -15.323 -2.001 1.502 1.00 1.63 C ATOM 689 OE1 GLU A 45 -14.922 -1.026 0.888 1.00 0.88 O ATOM 690 OE2 GLU A 45 -16.487 -2.366 1.519 1.00 2.58 O ATOM 0 H GLU A 45 -14.568 -5.404 2.801 1.00 1.76 H new ATOM 0 HA GLU A 45 -11.985 -5.219 1.446 1.00 1.56 H new ATOM 0 HB2 GLU A 45 -12.782 -3.018 0.777 1.00 1.63 H new ATOM 0 HB3 GLU A 45 -14.110 -4.150 0.610 1.00 1.63 H new ATOM 0 HG2 GLU A 45 -14.815 -3.461 3.013 1.00 1.59 H new ATOM 0 HG3 GLU A 45 -13.659 -2.151 2.874 1.00 1.59 H new ATOM 697 N LYS A 46 -12.519 -3.685 4.316 1.00 1.06 N ATOM 698 CA LYS A 46 -11.789 -3.004 5.417 1.00 0.75 C ATOM 699 C LYS A 46 -10.722 -3.942 5.992 1.00 0.74 C ATOM 700 O LYS A 46 -9.714 -3.504 6.514 1.00 0.64 O ATOM 701 CB LYS A 46 -12.778 -2.604 6.512 1.00 0.84 C ATOM 702 CG LYS A 46 -13.620 -3.814 6.928 1.00 0.95 C ATOM 703 CD LYS A 46 -15.060 -3.630 6.442 1.00 0.84 C ATOM 704 CE LYS A 46 -15.935 -3.150 7.601 1.00 0.93 C ATOM 705 NZ LYS A 46 -17.236 -2.654 7.070 1.00 1.62 N ATOM 0 H LYS A 46 -13.510 -3.856 4.487 1.00 1.06 H new ATOM 0 HA LYS A 46 -11.300 -2.110 5.029 1.00 0.75 H new ATOM 0 HB2 LYS A 46 -12.239 -2.212 7.375 1.00 0.84 H new ATOM 0 HB3 LYS A 46 -13.427 -1.806 6.153 1.00 0.84 H new ATOM 0 HG2 LYS A 46 -13.197 -4.726 6.507 1.00 0.95 H new ATOM 0 HG3 LYS A 46 -13.603 -3.926 8.012 1.00 0.95 H new ATOM 0 HD2 LYS A 46 -15.090 -2.907 5.627 1.00 0.84 H new ATOM 0 HD3 LYS A 46 -15.445 -4.571 6.048 1.00 0.84 H new ATOM 0 HE2 LYS A 46 -16.104 -3.965 8.304 1.00 0.93 H new ATOM 0 HE3 LYS A 46 -15.428 -2.356 8.149 1.00 0.93 H new ATOM 0 HZ1 LYS A 46 -17.831 -2.328 7.858 1.00 1.62 H new ATOM 0 HZ2 LYS A 46 -17.065 -1.864 6.415 1.00 1.62 H new ATOM 0 HZ3 LYS A 46 -17.721 -3.423 6.566 1.00 1.62 H new ATOM 719 N GLU A 47 -10.928 -5.227 5.896 1.00 0.86 N ATOM 720 CA GLU A 47 -9.922 -6.183 6.437 1.00 0.90 C ATOM 721 C GLU A 47 -8.765 -6.324 5.447 1.00 0.75 C ATOM 722 O GLU A 47 -7.623 -6.091 5.782 1.00 0.58 O ATOM 723 CB GLU A 47 -10.579 -7.546 6.657 1.00 1.21 C ATOM 724 CG GLU A 47 -10.790 -7.774 8.155 1.00 1.48 C ATOM 725 CD GLU A 47 -11.817 -8.888 8.363 1.00 1.32 C ATOM 726 OE1 GLU A 47 -12.484 -9.240 7.403 1.00 0.99 O ATOM 727 OE2 GLU A 47 -11.921 -9.371 9.479 1.00 2.21 O ATOM 0 H GLU A 47 -11.748 -5.655 5.467 1.00 0.86 H new ATOM 0 HA GLU A 47 -9.540 -5.808 7.387 1.00 0.90 H new ATOM 0 HB2 GLU A 47 -11.534 -7.590 6.133 1.00 1.21 H new ATOM 0 HB3 GLU A 47 -9.952 -8.335 6.243 1.00 1.21 H new ATOM 0 HG2 GLU A 47 -9.846 -8.042 8.629 1.00 1.48 H new ATOM 0 HG3 GLU A 47 -11.134 -6.855 8.628 1.00 1.48 H new ATOM 734 N THR A 48 -9.048 -6.701 4.229 1.00 1.04 N ATOM 735 CA THR A 48 -7.950 -6.849 3.225 1.00 1.03 C ATOM 736 C THR A 48 -7.167 -5.533 3.117 1.00 0.81 C ATOM 737 O THR A 48 -6.015 -5.514 2.727 1.00 0.75 O ATOM 738 CB THR A 48 -8.551 -7.187 1.856 1.00 1.36 C ATOM 739 OG1 THR A 48 -9.437 -8.289 1.988 1.00 1.65 O ATOM 740 CG2 THR A 48 -7.429 -7.545 0.880 1.00 1.56 C ATOM 0 H THR A 48 -9.985 -6.912 3.885 1.00 1.04 H new ATOM 0 HA THR A 48 -7.280 -7.648 3.542 1.00 1.03 H new ATOM 0 HB THR A 48 -9.099 -6.325 1.476 1.00 1.36 H new ATOM 0 HG1 THR A 48 -10.320 -7.967 2.265 1.00 1.65 H new ATOM 0 HG21 THR A 48 -7.856 -7.785 -0.093 1.00 1.56 H new ATOM 0 HG22 THR A 48 -6.750 -6.698 0.779 1.00 1.56 H new ATOM 0 HG23 THR A 48 -6.879 -8.407 1.258 1.00 1.56 H new ATOM 748 N PHE A 49 -7.785 -4.434 3.455 1.00 0.76 N ATOM 749 CA PHE A 49 -7.090 -3.119 3.367 1.00 0.72 C ATOM 750 C PHE A 49 -6.060 -3.023 4.492 1.00 0.55 C ATOM 751 O PHE A 49 -4.881 -2.859 4.252 1.00 0.98 O ATOM 752 CB PHE A 49 -8.122 -2.000 3.520 1.00 0.84 C ATOM 753 CG PHE A 49 -8.770 -1.691 2.186 1.00 1.01 C ATOM 754 CD1 PHE A 49 -9.060 -2.722 1.279 1.00 1.90 C ATOM 755 CD2 PHE A 49 -9.120 -0.372 1.872 1.00 1.33 C ATOM 756 CE1 PHE A 49 -9.698 -2.434 0.069 1.00 1.99 C ATOM 757 CE2 PHE A 49 -9.753 -0.084 0.657 1.00 1.49 C ATOM 758 CZ PHE A 49 -10.043 -1.117 -0.242 1.00 1.36 C ATOM 0 H PHE A 49 -8.747 -4.391 3.790 1.00 0.76 H new ATOM 0 HA PHE A 49 -6.588 -3.024 2.404 1.00 0.72 H new ATOM 0 HB2 PHE A 49 -8.884 -2.296 4.241 1.00 0.84 H new ATOM 0 HB3 PHE A 49 -7.641 -1.105 3.914 1.00 0.84 H new ATOM 0 HD1 PHE A 49 -8.790 -3.740 1.516 1.00 1.90 H new ATOM 0 HD2 PHE A 49 -8.901 0.424 2.568 1.00 1.33 H new ATOM 0 HE1 PHE A 49 -9.924 -3.230 -0.625 1.00 1.99 H new ATOM 0 HE2 PHE A 49 -10.017 0.934 0.413 1.00 1.49 H new ATOM 0 HZ PHE A 49 -10.534 -0.895 -1.178 1.00 1.36 H new ATOM 768 N CYS A 50 -6.494 -3.131 5.720 1.00 0.21 N ATOM 769 CA CYS A 50 -5.532 -3.053 6.856 1.00 0.57 C ATOM 770 C CYS A 50 -4.428 -4.102 6.662 1.00 0.52 C ATOM 771 O CYS A 50 -3.329 -3.956 7.158 1.00 0.50 O ATOM 772 CB CYS A 50 -6.270 -3.321 8.172 1.00 0.81 C ATOM 773 SG CYS A 50 -6.176 -5.083 8.576 1.00 0.69 S ATOM 0 H CYS A 50 -7.469 -3.269 5.984 1.00 0.21 H new ATOM 0 HA CYS A 50 -5.087 -2.059 6.888 1.00 0.57 H new ATOM 0 HB2 CYS A 50 -5.829 -2.730 8.975 1.00 0.81 H new ATOM 0 HB3 CYS A 50 -7.312 -3.013 8.085 1.00 0.81 H new ATOM 778 N ARG A 51 -4.709 -5.157 5.938 1.00 0.51 N ATOM 779 CA ARG A 51 -3.675 -6.205 5.709 1.00 0.47 C ATOM 780 C ARG A 51 -2.553 -5.611 4.861 1.00 0.48 C ATOM 781 O ARG A 51 -1.401 -5.612 5.247 1.00 0.49 O ATOM 782 CB ARG A 51 -4.301 -7.392 4.972 1.00 0.43 C ATOM 783 CG ARG A 51 -3.885 -8.697 5.656 1.00 1.14 C ATOM 784 CD ARG A 51 -5.072 -9.266 6.438 1.00 1.12 C ATOM 785 NE ARG A 51 -4.881 -10.733 6.635 1.00 1.31 N ATOM 786 CZ ARG A 51 -5.602 -11.398 7.509 1.00 2.22 C ATOM 787 NH1 ARG A 51 -6.507 -10.798 8.244 1.00 3.32 N ATOM 788 NH2 ARG A 51 -5.412 -12.682 7.651 1.00 2.37 N ATOM 0 H ARG A 51 -5.611 -5.335 5.497 1.00 0.51 H new ATOM 0 HA ARG A 51 -3.277 -6.548 6.664 1.00 0.47 H new ATOM 0 HB2 ARG A 51 -5.387 -7.300 4.970 1.00 0.43 H new ATOM 0 HB3 ARG A 51 -3.980 -7.397 3.930 1.00 0.43 H new ATOM 0 HG2 ARG A 51 -3.547 -9.418 4.912 1.00 1.14 H new ATOM 0 HG3 ARG A 51 -3.046 -8.516 6.328 1.00 1.14 H new ATOM 0 HD2 ARG A 51 -5.158 -8.767 7.403 1.00 1.12 H new ATOM 0 HD3 ARG A 51 -6.000 -9.079 5.898 1.00 1.12 H new ATOM 0 HE ARG A 51 -4.180 -11.227 6.083 1.00 1.31 H new ATOM 0 HH11 ARG A 51 -6.663 -9.795 8.143 1.00 3.32 H new ATOM 0 HH12 ARG A 51 -7.055 -11.334 8.916 1.00 3.32 H new ATOM 0 HH21 ARG A 51 -4.709 -13.159 7.086 1.00 2.37 H new ATOM 0 HH22 ARG A 51 -5.966 -13.208 8.327 1.00 2.37 H new ATOM 802 N ALA A 52 -2.882 -5.087 3.712 1.00 0.48 N ATOM 803 CA ALA A 52 -1.832 -4.477 2.852 1.00 0.49 C ATOM 804 C ALA A 52 -1.224 -3.267 3.572 1.00 0.54 C ATOM 805 O ALA A 52 -0.156 -2.805 3.223 1.00 0.60 O ATOM 806 CB ALA A 52 -2.446 -4.023 1.528 1.00 0.51 C ATOM 0 H ALA A 52 -3.829 -5.055 3.334 1.00 0.48 H new ATOM 0 HA ALA A 52 -1.055 -5.216 2.654 1.00 0.49 H new ATOM 0 HB1 ALA A 52 -1.673 -3.577 0.902 1.00 0.51 H new ATOM 0 HB2 ALA A 52 -2.878 -4.882 1.014 1.00 0.51 H new ATOM 0 HB3 ALA A 52 -3.225 -3.286 1.722 1.00 0.51 H new ATOM 812 N ALA A 53 -1.889 -2.745 4.573 1.00 0.54 N ATOM 813 CA ALA A 53 -1.336 -1.574 5.306 1.00 0.59 C ATOM 814 C ALA A 53 -0.231 -2.057 6.246 1.00 0.56 C ATOM 815 O ALA A 53 0.730 -1.358 6.500 1.00 0.53 O ATOM 816 CB ALA A 53 -2.447 -0.910 6.121 1.00 0.63 C ATOM 0 H ALA A 53 -2.790 -3.082 4.911 1.00 0.54 H new ATOM 0 HA ALA A 53 -0.930 -0.851 4.598 1.00 0.59 H new ATOM 0 HB1 ALA A 53 -2.042 -0.052 6.658 1.00 0.63 H new ATOM 0 HB2 ALA A 53 -3.240 -0.577 5.451 1.00 0.63 H new ATOM 0 HB3 ALA A 53 -2.852 -1.627 6.835 1.00 0.63 H new ATOM 822 N THR A 54 -0.357 -3.252 6.757 1.00 0.57 N ATOM 823 CA THR A 54 0.690 -3.788 7.668 1.00 0.55 C ATOM 824 C THR A 54 1.925 -4.137 6.836 1.00 0.51 C ATOM 825 O THR A 54 3.042 -3.813 7.191 1.00 0.51 O ATOM 826 CB THR A 54 0.165 -5.042 8.371 1.00 0.50 C ATOM 827 OG1 THR A 54 -0.300 -4.694 9.669 1.00 0.62 O ATOM 828 CG2 THR A 54 1.288 -6.073 8.489 1.00 0.67 C ATOM 0 H THR A 54 -1.142 -3.880 6.581 1.00 0.57 H new ATOM 0 HA THR A 54 0.949 -3.045 8.422 1.00 0.55 H new ATOM 0 HB THR A 54 -0.654 -5.468 7.792 1.00 0.50 H new ATOM 0 HG1 THR A 54 -0.638 -5.495 10.121 1.00 0.62 H new ATOM 0 HG21 THR A 54 0.912 -6.965 8.990 1.00 0.67 H new ATOM 0 HG22 THR A 54 1.644 -6.339 7.494 1.00 0.67 H new ATOM 0 HG23 THR A 54 2.110 -5.651 9.068 1.00 0.67 H new ATOM 836 N VAL A 55 1.728 -4.775 5.715 1.00 0.48 N ATOM 837 CA VAL A 55 2.885 -5.118 4.845 1.00 0.46 C ATOM 838 C VAL A 55 3.568 -3.816 4.431 1.00 0.48 C ATOM 839 O VAL A 55 4.780 -3.715 4.383 1.00 0.38 O ATOM 840 CB VAL A 55 2.384 -5.859 3.602 1.00 0.46 C ATOM 841 CG1 VAL A 55 3.578 -6.300 2.754 1.00 0.42 C ATOM 842 CG2 VAL A 55 1.585 -7.090 4.032 1.00 0.44 C ATOM 0 H VAL A 55 0.817 -5.073 5.366 1.00 0.48 H new ATOM 0 HA VAL A 55 3.588 -5.758 5.377 1.00 0.46 H new ATOM 0 HB VAL A 55 1.747 -5.196 3.016 1.00 0.46 H new ATOM 0 HG11 VAL A 55 3.221 -6.827 1.869 1.00 0.42 H new ATOM 0 HG12 VAL A 55 4.150 -5.424 2.448 1.00 0.42 H new ATOM 0 HG13 VAL A 55 4.215 -6.963 3.339 1.00 0.42 H new ATOM 0 HG21 VAL A 55 1.228 -7.619 3.148 1.00 0.44 H new ATOM 0 HG22 VAL A 55 2.223 -7.752 4.617 1.00 0.44 H new ATOM 0 HG23 VAL A 55 0.734 -6.778 4.637 1.00 0.44 H new ATOM 852 N LEU A 56 2.788 -2.808 4.153 1.00 0.63 N ATOM 853 CA LEU A 56 3.368 -1.496 3.767 1.00 0.65 C ATOM 854 C LEU A 56 4.152 -0.947 4.957 1.00 0.60 C ATOM 855 O LEU A 56 5.148 -0.275 4.800 1.00 0.60 O ATOM 856 CB LEU A 56 2.241 -0.524 3.407 1.00 0.69 C ATOM 857 CG LEU A 56 2.363 -0.119 1.938 1.00 0.87 C ATOM 858 CD1 LEU A 56 1.799 -1.232 1.053 1.00 1.20 C ATOM 859 CD2 LEU A 56 1.571 1.170 1.699 1.00 0.61 C ATOM 0 H LEU A 56 1.769 -2.839 4.177 1.00 0.63 H new ATOM 0 HA LEU A 56 4.025 -1.615 2.905 1.00 0.65 H new ATOM 0 HB2 LEU A 56 1.273 -0.991 3.587 1.00 0.69 H new ATOM 0 HB3 LEU A 56 2.292 0.359 4.044 1.00 0.69 H new ATOM 0 HG LEU A 56 3.412 0.045 1.692 1.00 0.87 H new ATOM 0 HD11 LEU A 56 1.886 -0.943 0.006 1.00 1.20 H new ATOM 0 HD12 LEU A 56 2.359 -2.151 1.224 1.00 1.20 H new ATOM 0 HD13 LEU A 56 0.750 -1.395 1.298 1.00 1.20 H new ATOM 0 HD21 LEU A 56 1.657 1.461 0.652 1.00 0.61 H new ATOM 0 HD22 LEU A 56 0.522 1.004 1.945 1.00 0.61 H new ATOM 0 HD23 LEU A 56 1.970 1.964 2.330 1.00 0.61 H new ATOM 871 N ARG A 57 3.706 -1.238 6.149 1.00 0.57 N ATOM 872 CA ARG A 57 4.421 -0.745 7.354 1.00 0.52 C ATOM 873 C ARG A 57 5.852 -1.283 7.334 1.00 0.50 C ATOM 874 O ARG A 57 6.793 -0.570 7.612 1.00 0.43 O ATOM 875 CB ARG A 57 3.687 -1.226 8.614 1.00 0.53 C ATOM 876 CG ARG A 57 4.650 -1.970 9.545 1.00 1.68 C ATOM 877 CD ARG A 57 3.918 -2.355 10.832 1.00 1.80 C ATOM 878 NE ARG A 57 4.348 -1.453 11.939 1.00 1.54 N ATOM 879 CZ ARG A 57 3.665 -1.384 13.059 1.00 1.27 C ATOM 880 NH1 ARG A 57 2.586 -2.107 13.244 1.00 1.31 N ATOM 881 NH2 ARG A 57 4.069 -0.583 14.006 1.00 1.36 N ATOM 0 H ARG A 57 2.874 -1.798 6.338 1.00 0.57 H new ATOM 0 HA ARG A 57 4.447 0.345 7.358 1.00 0.52 H new ATOM 0 HB2 ARG A 57 3.252 -0.374 9.136 1.00 0.53 H new ATOM 0 HB3 ARG A 57 2.863 -1.882 8.334 1.00 0.53 H new ATOM 0 HG2 ARG A 57 5.034 -2.863 9.051 1.00 1.68 H new ATOM 0 HG3 ARG A 57 5.509 -1.340 9.777 1.00 1.68 H new ATOM 0 HD2 ARG A 57 2.840 -2.280 10.686 1.00 1.80 H new ATOM 0 HD3 ARG A 57 4.134 -3.392 11.089 1.00 1.80 H new ATOM 0 HE ARG A 57 5.185 -0.881 11.825 1.00 1.54 H new ATOM 0 HH11 ARG A 57 2.263 -2.738 12.511 1.00 1.31 H new ATOM 0 HH12 ARG A 57 2.070 -2.038 14.121 1.00 1.31 H new ATOM 0 HH21 ARG A 57 4.908 -0.018 13.873 1.00 1.36 H new ATOM 0 HH22 ARG A 57 3.546 -0.522 14.880 1.00 1.36 H new ATOM 895 N GLN A 58 6.026 -2.532 6.995 1.00 0.55 N ATOM 896 CA GLN A 58 7.403 -3.102 6.950 1.00 0.53 C ATOM 897 C GLN A 58 8.205 -2.376 5.870 1.00 0.51 C ATOM 898 O GLN A 58 9.397 -2.174 5.994 1.00 0.47 O ATOM 899 CB GLN A 58 7.332 -4.595 6.619 1.00 0.70 C ATOM 900 CG GLN A 58 8.744 -5.185 6.614 1.00 2.06 C ATOM 901 CD GLN A 58 8.721 -6.577 7.249 1.00 1.46 C ATOM 902 OE1 GLN A 58 8.815 -7.573 6.560 1.00 2.22 O ATOM 903 NE2 GLN A 58 8.599 -6.689 8.543 1.00 0.50 N ATOM 0 H GLN A 58 5.278 -3.180 6.748 1.00 0.55 H new ATOM 0 HA GLN A 58 7.886 -2.974 7.919 1.00 0.53 H new ATOM 0 HB2 GLN A 58 6.713 -5.112 7.353 1.00 0.70 H new ATOM 0 HB3 GLN A 58 6.862 -4.741 5.646 1.00 0.70 H new ATOM 0 HG2 GLN A 58 9.120 -5.246 5.593 1.00 2.06 H new ATOM 0 HG3 GLN A 58 9.423 -4.534 7.165 1.00 2.06 H new ATOM 0 HE21 GLN A 58 8.520 -5.853 9.122 1.00 0.50 H new ATOM 0 HE22 GLN A 58 8.583 -7.613 8.976 1.00 0.50 H new ATOM 912 N PHE A 59 7.555 -1.984 4.810 1.00 0.59 N ATOM 913 CA PHE A 59 8.267 -1.266 3.712 1.00 0.64 C ATOM 914 C PHE A 59 8.890 0.027 4.253 1.00 0.54 C ATOM 915 O PHE A 59 10.085 0.230 4.176 1.00 0.67 O ATOM 916 CB PHE A 59 7.261 -0.911 2.614 1.00 0.76 C ATOM 917 CG PHE A 59 7.933 -0.890 1.256 1.00 0.82 C ATOM 918 CD1 PHE A 59 9.220 -0.351 1.104 1.00 1.94 C ATOM 919 CD2 PHE A 59 7.258 -1.407 0.144 1.00 0.78 C ATOM 920 CE1 PHE A 59 9.826 -0.332 -0.159 1.00 2.23 C ATOM 921 CE2 PHE A 59 7.864 -1.386 -1.117 1.00 0.87 C ATOM 922 CZ PHE A 59 9.148 -0.849 -1.269 1.00 1.42 C ATOM 0 H PHE A 59 6.557 -2.130 4.655 1.00 0.59 H new ATOM 0 HA PHE A 59 9.053 -1.907 3.312 1.00 0.64 H new ATOM 0 HB2 PHE A 59 6.448 -1.637 2.611 1.00 0.76 H new ATOM 0 HB3 PHE A 59 6.818 0.063 2.821 1.00 0.76 H new ATOM 0 HD1 PHE A 59 9.743 0.049 1.960 1.00 1.94 H new ATOM 0 HD2 PHE A 59 6.268 -1.823 0.260 1.00 0.78 H new ATOM 0 HE1 PHE A 59 10.817 0.082 -0.276 1.00 2.23 H new ATOM 0 HE2 PHE A 59 7.341 -1.784 -1.974 1.00 0.87 H new ATOM 0 HZ PHE A 59 9.615 -0.834 -2.243 1.00 1.42 H new ATOM 932 N TYR A 60 8.084 0.912 4.776 1.00 0.50 N ATOM 933 CA TYR A 60 8.620 2.204 5.297 1.00 0.39 C ATOM 934 C TYR A 60 9.166 2.042 6.721 1.00 0.18 C ATOM 935 O TYR A 60 9.631 2.992 7.322 1.00 0.48 O ATOM 936 CB TYR A 60 7.498 3.248 5.291 1.00 0.44 C ATOM 937 CG TYR A 60 7.036 3.508 6.705 1.00 0.21 C ATOM 938 CD1 TYR A 60 6.268 2.552 7.379 1.00 0.27 C ATOM 939 CD2 TYR A 60 7.380 4.706 7.343 1.00 0.33 C ATOM 940 CE1 TYR A 60 5.843 2.795 8.691 1.00 0.34 C ATOM 941 CE2 TYR A 60 6.956 4.948 8.655 1.00 0.43 C ATOM 942 CZ TYR A 60 6.188 3.992 9.330 1.00 0.40 C ATOM 943 OH TYR A 60 5.770 4.230 10.624 1.00 0.64 O ATOM 0 H TYR A 60 7.075 0.796 4.865 1.00 0.50 H new ATOM 0 HA TYR A 60 9.440 2.527 4.655 1.00 0.39 H new ATOM 0 HB2 TYR A 60 7.852 4.174 4.838 1.00 0.44 H new ATOM 0 HB3 TYR A 60 6.664 2.896 4.685 1.00 0.44 H new ATOM 0 HD1 TYR A 60 6.003 1.627 6.888 1.00 0.27 H new ATOM 0 HD2 TYR A 60 7.973 5.444 6.823 1.00 0.33 H new ATOM 0 HE1 TYR A 60 5.248 2.058 9.211 1.00 0.34 H new ATOM 0 HE2 TYR A 60 7.221 5.872 9.146 1.00 0.43 H new ATOM 0 HH TYR A 60 6.097 5.106 10.917 1.00 0.64 H new ATOM 953 N SER A 61 9.128 0.864 7.276 1.00 0.15 N ATOM 954 CA SER A 61 9.665 0.689 8.651 1.00 0.19 C ATOM 955 C SER A 61 11.139 0.292 8.575 1.00 0.15 C ATOM 956 O SER A 61 12.012 1.006 9.026 1.00 0.31 O ATOM 957 CB SER A 61 8.880 -0.403 9.378 1.00 0.49 C ATOM 958 OG SER A 61 9.470 -0.636 10.649 1.00 0.95 O ATOM 0 H SER A 61 8.752 0.022 6.841 1.00 0.15 H new ATOM 0 HA SER A 61 9.567 1.627 9.198 1.00 0.19 H new ATOM 0 HB2 SER A 61 7.839 -0.101 9.497 1.00 0.49 H new ATOM 0 HB3 SER A 61 8.881 -1.321 8.790 1.00 0.49 H new ATOM 0 HG SER A 61 8.969 -1.334 11.119 1.00 0.95 H new ATOM 964 N HIS A 62 11.416 -0.852 8.015 1.00 0.24 N ATOM 965 CA HIS A 62 12.831 -1.319 7.914 1.00 0.43 C ATOM 966 C HIS A 62 13.448 -0.892 6.578 1.00 0.39 C ATOM 967 O HIS A 62 14.593 -0.492 6.514 1.00 0.43 O ATOM 968 CB HIS A 62 12.868 -2.843 8.028 1.00 0.64 C ATOM 969 CG HIS A 62 12.655 -3.243 9.462 1.00 0.83 C ATOM 970 ND1 HIS A 62 12.116 -4.469 9.815 1.00 1.43 N ATOM 971 CD2 HIS A 62 12.905 -2.588 10.644 1.00 1.55 C ATOM 972 CE1 HIS A 62 12.059 -4.515 11.160 1.00 1.77 C ATOM 973 NE2 HIS A 62 12.527 -3.394 11.714 1.00 1.69 N ATOM 0 H HIS A 62 10.722 -1.488 7.621 1.00 0.24 H new ATOM 0 HA HIS A 62 13.408 -0.870 8.722 1.00 0.43 H new ATOM 0 HB2 HIS A 62 12.096 -3.284 7.398 1.00 0.64 H new ATOM 0 HB3 HIS A 62 13.826 -3.222 7.672 1.00 0.64 H new ATOM 0 HD2 HIS A 62 13.330 -1.599 10.730 1.00 1.55 H new ATOM 0 HE1 HIS A 62 11.681 -5.356 11.722 1.00 1.77 H new ATOM 0 HE2 HIS A 62 12.593 -3.175 12.708 1.00 1.69 H new ATOM 981 N HIS A 63 12.707 -0.994 5.505 1.00 0.33 N ATOM 982 CA HIS A 63 13.266 -0.619 4.170 1.00 0.28 C ATOM 983 C HIS A 63 12.997 0.859 3.857 1.00 0.20 C ATOM 984 O HIS A 63 12.845 1.235 2.712 1.00 0.71 O ATOM 985 CB HIS A 63 12.616 -1.489 3.093 1.00 0.59 C ATOM 986 CG HIS A 63 12.466 -2.894 3.610 1.00 1.23 C ATOM 987 ND1 HIS A 63 13.376 -3.458 4.491 1.00 2.30 N ATOM 988 CD2 HIS A 63 11.516 -3.858 3.382 1.00 1.23 C ATOM 989 CE1 HIS A 63 12.959 -4.709 4.758 1.00 2.77 C ATOM 990 NE2 HIS A 63 11.830 -5.004 4.107 1.00 2.10 N ATOM 0 H HIS A 63 11.741 -1.320 5.494 1.00 0.33 H new ATOM 0 HA HIS A 63 14.344 -0.778 4.187 1.00 0.28 H new ATOM 0 HB2 HIS A 63 11.641 -1.084 2.821 1.00 0.59 H new ATOM 0 HB3 HIS A 63 13.226 -1.485 2.190 1.00 0.59 H new ATOM 0 HD2 HIS A 63 10.656 -3.745 2.738 1.00 1.23 H new ATOM 0 HE1 HIS A 63 13.474 -5.391 5.418 1.00 2.77 H new ATOM 0 HE2 HIS A 63 11.310 -5.881 4.135 1.00 2.10 H new ATOM 998 N GLU A 64 12.945 1.704 4.850 1.00 0.10 N ATOM 999 CA GLU A 64 12.696 3.147 4.579 1.00 0.43 C ATOM 1000 C GLU A 64 14.034 3.866 4.395 1.00 0.82 C ATOM 1001 O GLU A 64 14.147 4.806 3.634 1.00 1.23 O ATOM 1002 CB GLU A 64 11.927 3.755 5.754 1.00 0.32 C ATOM 1003 CG GLU A 64 12.806 4.759 6.507 1.00 0.24 C ATOM 1004 CD GLU A 64 12.060 5.260 7.745 1.00 0.67 C ATOM 1005 OE1 GLU A 64 11.892 4.478 8.667 1.00 1.75 O ATOM 1006 OE2 GLU A 64 11.669 6.416 7.751 1.00 1.09 O ATOM 0 H GLU A 64 13.064 1.459 5.833 1.00 0.10 H new ATOM 0 HA GLU A 64 12.105 3.259 3.670 1.00 0.43 H new ATOM 0 HB2 GLU A 64 11.027 4.251 5.390 1.00 0.32 H new ATOM 0 HB3 GLU A 64 11.603 2.965 6.432 1.00 0.32 H new ATOM 0 HG2 GLU A 64 13.745 4.289 6.800 1.00 0.24 H new ATOM 0 HG3 GLU A 64 13.058 5.597 5.857 1.00 0.24 H new ATOM 1013 N LYS A 65 15.049 3.430 5.089 1.00 0.89 N ATOM 1014 CA LYS A 65 16.381 4.085 4.960 1.00 1.38 C ATOM 1015 C LYS A 65 17.453 3.016 4.749 1.00 1.31 C ATOM 1016 O LYS A 65 18.565 3.137 5.222 1.00 1.77 O ATOM 1017 CB LYS A 65 16.689 4.868 6.238 1.00 1.84 C ATOM 1018 CG LYS A 65 16.056 6.258 6.150 1.00 2.81 C ATOM 1019 CD LYS A 65 17.038 7.300 6.689 1.00 3.24 C ATOM 1020 CE LYS A 65 16.863 8.611 5.919 1.00 4.72 C ATOM 1021 NZ LYS A 65 18.031 9.499 6.178 1.00 4.98 N ATOM 0 H LYS A 65 15.013 2.647 5.741 1.00 0.89 H new ATOM 0 HA LYS A 65 16.372 4.766 4.109 1.00 1.38 H new ATOM 0 HB2 LYS A 65 16.302 4.335 7.106 1.00 1.84 H new ATOM 0 HB3 LYS A 65 17.767 4.956 6.373 1.00 1.84 H new ATOM 0 HG2 LYS A 65 15.797 6.487 5.116 1.00 2.81 H new ATOM 0 HG3 LYS A 65 15.130 6.285 6.724 1.00 2.81 H new ATOM 0 HD2 LYS A 65 16.864 7.464 7.752 1.00 3.24 H new ATOM 0 HD3 LYS A 65 18.061 6.939 6.586 1.00 3.24 H new ATOM 0 HE2 LYS A 65 16.776 8.409 4.851 1.00 4.72 H new ATOM 0 HE3 LYS A 65 15.941 9.105 6.226 1.00 4.72 H new ATOM 0 HZ1 LYS A 65 17.912 10.390 5.655 1.00 4.98 H new ATOM 0 HZ2 LYS A 65 18.094 9.701 7.196 1.00 4.98 H new ATOM 0 HZ3 LYS A 65 18.903 9.027 5.864 1.00 4.98 H new ATOM 1035 N ASP A 66 17.127 1.969 4.043 1.00 0.79 N ATOM 1036 CA ASP A 66 18.129 0.892 3.804 1.00 0.73 C ATOM 1037 C ASP A 66 18.926 1.209 2.536 1.00 0.66 C ATOM 1038 O ASP A 66 18.436 1.850 1.627 1.00 0.61 O ATOM 1039 CB ASP A 66 17.409 -0.448 3.636 1.00 0.56 C ATOM 1040 CG ASP A 66 17.593 -1.287 4.902 1.00 0.94 C ATOM 1041 OD1 ASP A 66 18.730 -1.486 5.296 1.00 1.18 O ATOM 1042 OD2 ASP A 66 16.595 -1.715 5.456 1.00 1.79 O ATOM 0 H ASP A 66 16.211 1.812 3.622 1.00 0.79 H new ATOM 0 HA ASP A 66 18.809 0.833 4.654 1.00 0.73 H new ATOM 0 HB2 ASP A 66 16.348 -0.282 3.448 1.00 0.56 H new ATOM 0 HB3 ASP A 66 17.807 -0.981 2.772 1.00 0.56 H new ATOM 1047 N THR A 67 20.152 0.767 2.472 1.00 0.71 N ATOM 1048 CA THR A 67 20.985 1.045 1.266 1.00 0.65 C ATOM 1049 C THR A 67 20.509 0.196 0.077 1.00 0.49 C ATOM 1050 O THR A 67 20.896 0.431 -1.051 1.00 0.42 O ATOM 1051 CB THR A 67 22.447 0.712 1.573 1.00 0.70 C ATOM 1052 OG1 THR A 67 23.282 1.302 0.586 1.00 2.28 O ATOM 1053 CG2 THR A 67 22.640 -0.805 1.569 1.00 1.17 C ATOM 0 H THR A 67 20.614 0.225 3.202 1.00 0.71 H new ATOM 0 HA THR A 67 20.889 2.099 1.007 1.00 0.65 H new ATOM 0 HB THR A 67 22.711 1.105 2.555 1.00 0.70 H new ATOM 0 HG1 THR A 67 22.915 1.120 -0.304 1.00 2.28 H new ATOM 0 HG21 THR A 67 23.682 -1.040 1.788 1.00 1.17 H new ATOM 0 HG22 THR A 67 21.999 -1.255 2.327 1.00 1.17 H new ATOM 0 HG23 THR A 67 22.377 -1.203 0.589 1.00 1.17 H new ATOM 1061 N ARG A 68 19.682 -0.791 0.310 1.00 0.47 N ATOM 1062 CA ARG A 68 19.204 -1.643 -0.816 1.00 0.34 C ATOM 1063 C ARG A 68 18.565 -0.769 -1.901 1.00 0.37 C ATOM 1064 O ARG A 68 18.913 -0.857 -3.063 1.00 0.33 O ATOM 1065 CB ARG A 68 18.167 -2.641 -0.292 1.00 0.57 C ATOM 1066 CG ARG A 68 18.604 -4.066 -0.642 1.00 0.82 C ATOM 1067 CD ARG A 68 19.689 -4.525 0.334 1.00 0.96 C ATOM 1068 NE ARG A 68 19.089 -4.743 1.683 1.00 1.84 N ATOM 1069 CZ ARG A 68 19.738 -5.409 2.611 1.00 2.51 C ATOM 1070 NH1 ARG A 68 20.932 -5.904 2.386 1.00 2.71 N ATOM 1071 NH2 ARG A 68 19.184 -5.581 3.781 1.00 3.51 N ATOM 0 H ARG A 68 19.319 -1.042 1.230 1.00 0.47 H new ATOM 0 HA ARG A 68 20.051 -2.180 -1.243 1.00 0.34 H new ATOM 0 HB2 ARG A 68 18.061 -2.537 0.788 1.00 0.57 H new ATOM 0 HB3 ARG A 68 17.191 -2.431 -0.730 1.00 0.57 H new ATOM 0 HG2 ARG A 68 17.749 -4.741 -0.595 1.00 0.82 H new ATOM 0 HG3 ARG A 68 18.982 -4.101 -1.664 1.00 0.82 H new ATOM 0 HD2 ARG A 68 20.148 -5.446 -0.024 1.00 0.96 H new ATOM 0 HD3 ARG A 68 20.479 -3.777 0.393 1.00 0.96 H new ATOM 0 HE ARG A 68 18.162 -4.370 1.887 1.00 1.84 H new ATOM 0 HH11 ARG A 68 21.374 -5.775 1.476 1.00 2.71 H new ATOM 0 HH12 ARG A 68 21.418 -6.418 3.121 1.00 2.71 H new ATOM 0 HH21 ARG A 68 18.256 -5.200 3.967 1.00 3.51 H new ATOM 0 HH22 ARG A 68 19.679 -6.097 4.509 1.00 3.51 H new ATOM 1085 N CYS A 69 17.627 0.064 -1.539 1.00 0.59 N ATOM 1086 CA CYS A 69 16.962 0.928 -2.560 1.00 0.75 C ATOM 1087 C CYS A 69 17.818 2.167 -2.846 1.00 0.86 C ATOM 1088 O CYS A 69 17.738 2.750 -3.908 1.00 1.12 O ATOM 1089 CB CYS A 69 15.588 1.364 -2.044 1.00 0.97 C ATOM 1090 SG CYS A 69 14.476 1.637 -3.448 1.00 1.32 S ATOM 0 H CYS A 69 17.292 0.184 -0.583 1.00 0.59 H new ATOM 0 HA CYS A 69 16.845 0.359 -3.482 1.00 0.75 H new ATOM 0 HB2 CYS A 69 15.177 0.601 -1.383 1.00 0.97 H new ATOM 0 HB3 CYS A 69 15.681 2.278 -1.457 1.00 0.97 H new ATOM 1095 N LEU A 70 18.633 2.579 -1.913 1.00 0.72 N ATOM 1096 CA LEU A 70 19.482 3.784 -2.149 1.00 0.83 C ATOM 1097 C LEU A 70 20.420 3.530 -3.331 1.00 0.84 C ATOM 1098 O LEU A 70 20.214 4.031 -4.417 1.00 1.11 O ATOM 1099 CB LEU A 70 20.307 4.086 -0.898 1.00 0.71 C ATOM 1100 CG LEU A 70 19.374 4.501 0.241 1.00 0.51 C ATOM 1101 CD1 LEU A 70 20.146 4.495 1.562 1.00 0.19 C ATOM 1102 CD2 LEU A 70 18.840 5.909 -0.028 1.00 0.90 C ATOM 0 H LEU A 70 18.748 2.136 -1.001 1.00 0.72 H new ATOM 0 HA LEU A 70 18.840 4.636 -2.373 1.00 0.83 H new ATOM 0 HB2 LEU A 70 20.883 3.207 -0.608 1.00 0.71 H new ATOM 0 HB3 LEU A 70 21.022 4.882 -1.105 1.00 0.71 H new ATOM 0 HG LEU A 70 18.542 3.800 0.303 1.00 0.51 H new ATOM 0 HD11 LEU A 70 19.481 4.791 2.373 1.00 0.19 H new ATOM 0 HD12 LEU A 70 20.530 3.493 1.754 1.00 0.19 H new ATOM 0 HD13 LEU A 70 20.978 5.197 1.501 1.00 0.19 H new ATOM 0 HD21 LEU A 70 18.175 6.207 0.782 1.00 0.90 H new ATOM 0 HD22 LEU A 70 19.674 6.609 -0.089 1.00 0.90 H new ATOM 0 HD23 LEU A 70 18.291 5.916 -0.969 1.00 0.90 H new ATOM 1114 N GLY A 71 21.452 2.755 -3.129 1.00 0.70 N ATOM 1115 CA GLY A 71 22.401 2.475 -4.243 1.00 0.94 C ATOM 1116 C GLY A 71 23.786 3.017 -3.884 1.00 1.00 C ATOM 1117 O GLY A 71 24.458 2.502 -3.014 1.00 1.18 O ATOM 0 H GLY A 71 21.678 2.305 -2.242 1.00 0.70 H new ATOM 0 HA2 GLY A 71 22.455 1.402 -4.427 1.00 0.94 H new ATOM 0 HA3 GLY A 71 22.045 2.939 -5.163 1.00 0.94 H new ATOM 1121 N ALA A 72 24.219 4.054 -4.548 1.00 0.94 N ATOM 1122 CA ALA A 72 25.560 4.628 -4.244 1.00 1.06 C ATOM 1123 C ALA A 72 25.620 6.076 -4.733 1.00 1.09 C ATOM 1124 O ALA A 72 26.497 6.452 -5.484 1.00 1.05 O ATOM 1125 CB ALA A 72 26.639 3.808 -4.955 1.00 1.25 C ATOM 0 H ALA A 72 23.702 4.528 -5.288 1.00 0.94 H new ATOM 0 HA ALA A 72 25.730 4.600 -3.168 1.00 1.06 H new ATOM 0 HB1 ALA A 72 27.620 4.228 -4.733 1.00 1.25 H new ATOM 0 HB2 ALA A 72 26.599 2.775 -4.608 1.00 1.25 H new ATOM 0 HB3 ALA A 72 26.467 3.836 -6.031 1.00 1.25 H new ATOM 1131 N THR A 73 24.694 6.892 -4.312 1.00 1.35 N ATOM 1132 CA THR A 73 24.699 8.315 -4.755 1.00 1.39 C ATOM 1133 C THR A 73 23.681 9.108 -3.936 1.00 1.15 C ATOM 1134 O THR A 73 22.884 8.550 -3.209 1.00 1.06 O ATOM 1135 CB THR A 73 24.331 8.387 -6.239 1.00 1.39 C ATOM 1136 OG1 THR A 73 24.131 9.744 -6.611 1.00 2.61 O ATOM 1137 CG2 THR A 73 23.047 7.594 -6.485 1.00 1.34 C ATOM 0 H THR A 73 23.935 6.636 -3.681 1.00 1.35 H new ATOM 0 HA THR A 73 25.692 8.739 -4.606 1.00 1.39 H new ATOM 0 HB THR A 73 25.138 7.962 -6.836 1.00 1.39 H new ATOM 0 HG1 THR A 73 23.897 9.792 -7.561 1.00 2.61 H new ATOM 0 HG21 THR A 73 22.785 7.645 -7.542 1.00 1.34 H new ATOM 0 HG22 THR A 73 23.202 6.554 -6.199 1.00 1.34 H new ATOM 0 HG23 THR A 73 22.238 8.017 -5.889 1.00 1.34 H new ATOM 1145 N ALA A 74 23.700 10.408 -4.045 1.00 1.14 N ATOM 1146 CA ALA A 74 22.734 11.236 -3.269 1.00 1.07 C ATOM 1147 C ALA A 74 21.426 11.384 -4.055 1.00 0.78 C ATOM 1148 O ALA A 74 20.376 11.602 -3.488 1.00 0.67 O ATOM 1149 CB ALA A 74 23.336 12.620 -3.017 1.00 1.42 C ATOM 0 H ALA A 74 24.343 10.933 -4.638 1.00 1.14 H new ATOM 0 HA ALA A 74 22.527 10.748 -2.317 1.00 1.07 H new ATOM 0 HB1 ALA A 74 22.630 13.226 -2.449 1.00 1.42 H new ATOM 0 HB2 ALA A 74 24.262 12.517 -2.451 1.00 1.42 H new ATOM 0 HB3 ALA A 74 23.546 13.105 -3.971 1.00 1.42 H new ATOM 1155 N GLN A 75 21.481 11.272 -5.355 1.00 0.77 N ATOM 1156 CA GLN A 75 20.238 11.412 -6.169 1.00 0.62 C ATOM 1157 C GLN A 75 19.235 10.323 -5.777 1.00 0.56 C ATOM 1158 O GLN A 75 18.062 10.584 -5.590 1.00 0.47 O ATOM 1159 CB GLN A 75 20.586 11.276 -7.652 1.00 0.88 C ATOM 1160 CG GLN A 75 20.008 12.462 -8.426 1.00 0.33 C ATOM 1161 CD GLN A 75 20.582 12.475 -9.845 1.00 0.44 C ATOM 1162 OE1 GLN A 75 19.971 11.969 -10.766 1.00 1.13 O ATOM 1163 NE2 GLN A 75 21.740 13.036 -10.063 1.00 1.44 N ATOM 0 H GLN A 75 22.331 11.090 -5.888 1.00 0.77 H new ATOM 0 HA GLN A 75 19.794 12.390 -5.985 1.00 0.62 H new ATOM 0 HB2 GLN A 75 21.668 11.238 -7.780 1.00 0.88 H new ATOM 0 HB3 GLN A 75 20.185 10.342 -8.046 1.00 0.88 H new ATOM 0 HG2 GLN A 75 18.921 12.391 -8.463 1.00 0.33 H new ATOM 0 HG3 GLN A 75 20.249 13.395 -7.916 1.00 0.33 H new ATOM 0 HE21 GLN A 75 22.254 13.461 -9.291 1.00 1.44 H new ATOM 0 HE22 GLN A 75 22.131 13.049 -11.005 1.00 1.44 H new ATOM 1172 N GLN A 76 19.683 9.103 -5.654 1.00 0.65 N ATOM 1173 CA GLN A 76 18.750 8.002 -5.280 1.00 0.60 C ATOM 1174 C GLN A 76 18.158 8.281 -3.897 1.00 0.40 C ATOM 1175 O GLN A 76 17.037 7.914 -3.607 1.00 0.27 O ATOM 1176 CB GLN A 76 19.510 6.672 -5.250 1.00 0.76 C ATOM 1177 CG GLN A 76 18.926 5.711 -6.292 1.00 0.75 C ATOM 1178 CD GLN A 76 19.984 5.410 -7.355 1.00 1.50 C ATOM 1179 OE1 GLN A 76 20.637 6.397 -7.905 1.00 2.01 O flip ATOM 1180 NE2 GLN A 76 20.218 4.265 -7.689 1.00 2.82 N flip ATOM 0 H GLN A 76 20.653 8.821 -5.796 1.00 0.65 H new ATOM 0 HA GLN A 76 17.947 7.944 -6.015 1.00 0.60 H new ATOM 0 HB2 GLN A 76 20.567 6.843 -5.453 1.00 0.76 H new ATOM 0 HB3 GLN A 76 19.444 6.228 -4.257 1.00 0.76 H new ATOM 0 HG2 GLN A 76 18.605 4.787 -5.811 1.00 0.75 H new ATOM 0 HG3 GLN A 76 18.044 6.152 -6.756 1.00 0.75 H new ATOM 0 HE21 GLN A 76 19.707 3.494 -7.259 1.00 2.82 H new ATOM 0 HE22 GLN A 76 20.925 4.075 -8.399 1.00 2.82 H new ATOM 1189 N PHE A 77 18.900 8.930 -3.042 1.00 0.46 N ATOM 1190 CA PHE A 77 18.374 9.233 -1.681 1.00 0.44 C ATOM 1191 C PHE A 77 17.361 10.379 -1.765 1.00 0.12 C ATOM 1192 O PHE A 77 16.479 10.502 -0.938 1.00 0.41 O ATOM 1193 CB PHE A 77 19.529 9.645 -0.765 1.00 0.75 C ATOM 1194 CG PHE A 77 18.998 10.502 0.359 1.00 1.45 C ATOM 1195 CD1 PHE A 77 18.395 9.902 1.470 1.00 2.89 C ATOM 1196 CD2 PHE A 77 19.106 11.897 0.288 1.00 2.01 C ATOM 1197 CE1 PHE A 77 17.901 10.696 2.512 1.00 3.96 C ATOM 1198 CE2 PHE A 77 18.612 12.690 1.330 1.00 3.32 C ATOM 1199 CZ PHE A 77 18.009 12.089 2.443 1.00 4.05 C ATOM 0 H PHE A 77 19.846 9.263 -3.227 1.00 0.46 H new ATOM 0 HA PHE A 77 17.887 8.345 -1.278 1.00 0.44 H new ATOM 0 HB2 PHE A 77 20.020 8.760 -0.361 1.00 0.75 H new ATOM 0 HB3 PHE A 77 20.279 10.195 -1.333 1.00 0.75 H new ATOM 0 HD1 PHE A 77 18.311 8.827 1.524 1.00 2.89 H new ATOM 0 HD2 PHE A 77 19.570 12.360 -0.570 1.00 2.01 H new ATOM 0 HE1 PHE A 77 17.436 10.233 3.370 1.00 3.96 H new ATOM 0 HE2 PHE A 77 18.696 13.765 1.276 1.00 3.32 H new ATOM 0 HZ PHE A 77 17.628 12.701 3.247 1.00 4.05 H new ATOM 1209 N HIS A 78 17.480 11.223 -2.756 1.00 0.27 N ATOM 1210 CA HIS A 78 16.527 12.359 -2.888 1.00 0.47 C ATOM 1211 C HIS A 78 15.154 11.831 -3.306 1.00 0.37 C ATOM 1212 O HIS A 78 14.131 12.292 -2.840 1.00 0.61 O ATOM 1213 CB HIS A 78 17.044 13.331 -3.950 1.00 0.81 C ATOM 1214 CG HIS A 78 16.207 14.580 -3.942 1.00 0.98 C ATOM 1215 ND1 HIS A 78 15.697 15.134 -5.105 1.00 1.90 N ATOM 1216 CD2 HIS A 78 15.783 15.394 -2.921 1.00 0.51 C ATOM 1217 CE1 HIS A 78 15.003 16.234 -4.760 1.00 1.90 C ATOM 1218 NE2 HIS A 78 15.023 16.439 -3.440 1.00 1.04 N ATOM 0 H HIS A 78 18.197 11.173 -3.479 1.00 0.27 H new ATOM 0 HA HIS A 78 16.440 12.874 -1.931 1.00 0.47 H new ATOM 0 HB2 HIS A 78 18.087 13.579 -3.753 1.00 0.81 H new ATOM 0 HB3 HIS A 78 17.008 12.863 -4.934 1.00 0.81 H new ATOM 0 HD2 HIS A 78 16.005 15.246 -1.874 1.00 0.51 H new ATOM 0 HE1 HIS A 78 14.492 16.873 -5.465 1.00 1.90 H new ATOM 0 HE2 HIS A 78 14.578 17.198 -2.924 1.00 1.04 H new ATOM 1226 N ARG A 79 15.124 10.866 -4.182 1.00 0.20 N ATOM 1227 CA ARG A 79 13.816 10.308 -4.632 1.00 0.11 C ATOM 1228 C ARG A 79 13.312 9.272 -3.622 1.00 0.09 C ATOM 1229 O ARG A 79 12.130 9.005 -3.535 1.00 0.09 O ATOM 1230 CB ARG A 79 13.992 9.638 -5.997 1.00 0.27 C ATOM 1231 CG ARG A 79 14.664 10.615 -6.962 1.00 0.91 C ATOM 1232 CD ARG A 79 13.696 11.754 -7.288 1.00 1.66 C ATOM 1233 NE ARG A 79 12.493 11.204 -7.978 1.00 1.36 N ATOM 1234 CZ ARG A 79 11.397 11.920 -8.100 1.00 2.54 C ATOM 1235 NH1 ARG A 79 11.317 13.134 -7.609 1.00 3.41 N ATOM 1236 NH2 ARG A 79 10.366 11.411 -8.718 1.00 3.29 N ATOM 0 H ARG A 79 15.947 10.439 -4.606 1.00 0.20 H new ATOM 0 HA ARG A 79 13.090 11.118 -4.708 1.00 0.11 H new ATOM 0 HB2 ARG A 79 14.596 8.736 -5.896 1.00 0.27 H new ATOM 0 HB3 ARG A 79 13.023 9.330 -6.390 1.00 0.27 H new ATOM 0 HG2 ARG A 79 15.576 11.014 -6.517 1.00 0.91 H new ATOM 0 HG3 ARG A 79 14.955 10.098 -7.876 1.00 0.91 H new ATOM 0 HD2 ARG A 79 13.400 12.267 -6.373 1.00 1.66 H new ATOM 0 HD3 ARG A 79 14.187 12.492 -7.923 1.00 1.66 H new ATOM 0 HE ARG A 79 12.521 10.259 -8.361 1.00 1.36 H new ATOM 0 HH11 ARG A 79 12.115 13.540 -7.121 1.00 3.41 H new ATOM 0 HH12 ARG A 79 10.457 13.671 -7.715 1.00 3.41 H new ATOM 0 HH21 ARG A 79 10.416 10.467 -9.100 1.00 3.29 H new ATOM 0 HH22 ARG A 79 9.511 11.958 -8.818 1.00 3.29 H new ATOM 1250 N HIS A 80 14.194 8.681 -2.860 1.00 0.11 N ATOM 1251 CA HIS A 80 13.756 7.660 -1.867 1.00 0.10 C ATOM 1252 C HIS A 80 13.055 8.344 -0.692 1.00 0.10 C ATOM 1253 O HIS A 80 12.073 7.852 -0.169 1.00 0.12 O ATOM 1254 CB HIS A 80 14.979 6.893 -1.356 1.00 0.09 C ATOM 1255 CG HIS A 80 14.535 5.780 -0.446 1.00 0.15 C ATOM 1256 ND1 HIS A 80 13.290 5.180 -0.561 1.00 0.47 N ATOM 1257 CD2 HIS A 80 15.161 5.148 0.599 1.00 0.54 C ATOM 1258 CE1 HIS A 80 13.208 4.233 0.391 1.00 0.42 C ATOM 1259 NE2 HIS A 80 14.321 4.171 1.125 1.00 0.49 N ATOM 0 H HIS A 80 15.198 8.862 -2.883 1.00 0.11 H new ATOM 0 HA HIS A 80 13.061 6.968 -2.344 1.00 0.10 H new ATOM 0 HB2 HIS A 80 15.542 6.486 -2.196 1.00 0.09 H new ATOM 0 HB3 HIS A 80 15.647 7.569 -0.821 1.00 0.09 H new ATOM 0 HD2 HIS A 80 16.154 5.374 0.958 1.00 0.54 H new ATOM 0 HE1 HIS A 80 12.346 3.600 0.543 1.00 0.42 H new ATOM 0 HE2 HIS A 80 14.514 3.542 1.904 1.00 0.49 H new ATOM 1267 N LYS A 81 13.552 9.472 -0.265 1.00 0.08 N ATOM 1268 CA LYS A 81 12.916 10.180 0.881 1.00 0.08 C ATOM 1269 C LYS A 81 11.452 10.477 0.556 1.00 0.10 C ATOM 1270 O LYS A 81 10.584 10.369 1.399 1.00 0.25 O ATOM 1271 CB LYS A 81 13.655 11.492 1.145 1.00 0.07 C ATOM 1272 CG LYS A 81 13.527 11.864 2.624 1.00 0.40 C ATOM 1273 CD LYS A 81 12.872 13.241 2.750 1.00 1.62 C ATOM 1274 CE LYS A 81 12.382 13.445 4.185 1.00 2.67 C ATOM 1275 NZ LYS A 81 11.632 14.730 4.276 1.00 3.83 N ATOM 0 H LYS A 81 14.371 9.934 -0.660 1.00 0.08 H new ATOM 0 HA LYS A 81 12.968 9.548 1.767 1.00 0.08 H new ATOM 0 HB2 LYS A 81 14.706 11.390 0.875 1.00 0.07 H new ATOM 0 HB3 LYS A 81 13.242 12.286 0.523 1.00 0.07 H new ATOM 0 HG2 LYS A 81 12.931 11.117 3.147 1.00 0.40 H new ATOM 0 HG3 LYS A 81 14.510 11.873 3.094 1.00 0.40 H new ATOM 0 HD2 LYS A 81 13.586 14.021 2.484 1.00 1.62 H new ATOM 0 HD3 LYS A 81 12.037 13.323 2.054 1.00 1.62 H new ATOM 0 HE2 LYS A 81 11.741 12.615 4.483 1.00 2.67 H new ATOM 0 HE3 LYS A 81 13.229 13.456 4.872 1.00 2.67 H new ATOM 0 HZ1 LYS A 81 11.299 14.869 5.251 1.00 3.83 H new ATOM 0 HZ2 LYS A 81 12.257 15.517 4.008 1.00 3.83 H new ATOM 0 HZ3 LYS A 81 10.816 14.702 3.632 1.00 3.83 H new ATOM 1289 N GLN A 82 11.169 10.854 -0.659 1.00 0.08 N ATOM 1290 CA GLN A 82 9.761 11.160 -1.034 1.00 0.09 C ATOM 1291 C GLN A 82 8.913 9.893 -0.917 1.00 0.10 C ATOM 1292 O GLN A 82 7.743 9.945 -0.597 1.00 0.13 O ATOM 1293 CB GLN A 82 9.718 11.677 -2.473 1.00 0.08 C ATOM 1294 CG GLN A 82 10.586 12.931 -2.591 1.00 0.90 C ATOM 1295 CD GLN A 82 9.896 14.101 -1.887 1.00 1.71 C ATOM 1296 OE1 GLN A 82 10.092 14.317 -0.708 1.00 2.96 O ATOM 1297 NE2 GLN A 82 9.088 14.870 -2.566 1.00 1.58 N ATOM 0 H GLN A 82 11.852 10.963 -1.409 1.00 0.08 H new ATOM 0 HA GLN A 82 9.364 11.922 -0.364 1.00 0.09 H new ATOM 0 HB2 GLN A 82 10.076 10.908 -3.158 1.00 0.08 H new ATOM 0 HB3 GLN A 82 8.691 11.905 -2.758 1.00 0.08 H new ATOM 0 HG2 GLN A 82 11.565 12.751 -2.146 1.00 0.90 H new ATOM 0 HG3 GLN A 82 10.753 13.172 -3.641 1.00 0.90 H new ATOM 0 HE21 GLN A 82 8.923 14.689 -3.556 1.00 1.58 H new ATOM 0 HE22 GLN A 82 8.622 15.652 -2.106 1.00 1.58 H new ATOM 1306 N LEU A 83 9.496 8.753 -1.169 1.00 0.16 N ATOM 1307 CA LEU A 83 8.724 7.483 -1.067 1.00 0.25 C ATOM 1308 C LEU A 83 8.372 7.221 0.398 1.00 0.31 C ATOM 1309 O LEU A 83 7.328 6.683 0.709 1.00 0.34 O ATOM 1310 CB LEU A 83 9.575 6.327 -1.604 1.00 0.29 C ATOM 1311 CG LEU A 83 8.772 5.024 -1.563 1.00 0.38 C ATOM 1312 CD1 LEU A 83 8.080 4.808 -2.909 1.00 0.84 C ATOM 1313 CD2 LEU A 83 9.719 3.853 -1.285 1.00 0.36 C ATOM 0 H LEU A 83 10.473 8.646 -1.441 1.00 0.16 H new ATOM 0 HA LEU A 83 7.808 7.562 -1.653 1.00 0.25 H new ATOM 0 HB2 LEU A 83 9.888 6.539 -2.626 1.00 0.29 H new ATOM 0 HB3 LEU A 83 10.482 6.224 -1.008 1.00 0.29 H new ATOM 0 HG LEU A 83 8.022 5.084 -0.774 1.00 0.38 H new ATOM 0 HD11 LEU A 83 7.508 3.880 -2.880 1.00 0.84 H new ATOM 0 HD12 LEU A 83 7.408 5.642 -3.111 1.00 0.84 H new ATOM 0 HD13 LEU A 83 8.830 4.747 -3.698 1.00 0.84 H new ATOM 0 HD21 LEU A 83 9.150 2.924 -1.255 1.00 0.36 H new ATOM 0 HD22 LEU A 83 10.467 3.795 -2.075 1.00 0.36 H new ATOM 0 HD23 LEU A 83 10.215 4.006 -0.326 1.00 0.36 H new ATOM 1325 N ILE A 84 9.238 7.590 1.301 1.00 0.42 N ATOM 1326 CA ILE A 84 8.956 7.354 2.746 1.00 0.52 C ATOM 1327 C ILE A 84 7.734 8.166 3.180 1.00 0.41 C ATOM 1328 O ILE A 84 6.932 7.720 3.976 1.00 0.45 O ATOM 1329 CB ILE A 84 10.169 7.776 3.578 1.00 0.70 C ATOM 1330 CG1 ILE A 84 11.440 7.187 2.961 1.00 0.89 C ATOM 1331 CG2 ILE A 84 10.012 7.257 5.008 1.00 0.67 C ATOM 1332 CD1 ILE A 84 11.162 5.759 2.484 1.00 0.85 C ATOM 0 H ILE A 84 10.129 8.045 1.101 1.00 0.42 H new ATOM 0 HA ILE A 84 8.755 6.294 2.902 1.00 0.52 H new ATOM 0 HB ILE A 84 10.240 8.864 3.591 1.00 0.70 H new ATOM 0 HG12 ILE A 84 11.770 7.803 2.125 1.00 0.89 H new ATOM 0 HG13 ILE A 84 12.246 7.186 3.694 1.00 0.89 H new ATOM 0 HG21 ILE A 84 10.876 7.557 5.601 1.00 0.67 H new ATOM 0 HG22 ILE A 84 9.107 7.674 5.449 1.00 0.67 H new ATOM 0 HG23 ILE A 84 9.942 6.169 4.995 1.00 0.67 H new ATOM 0 HD11 ILE A 84 12.067 5.339 2.045 1.00 0.85 H new ATOM 0 HD12 ILE A 84 10.852 5.146 3.331 1.00 0.85 H new ATOM 0 HD13 ILE A 84 10.369 5.773 1.737 1.00 0.85 H new ATOM 1344 N ARG A 85 7.585 9.358 2.671 1.00 0.37 N ATOM 1345 CA ARG A 85 6.417 10.198 3.064 1.00 0.37 C ATOM 1346 C ARG A 85 5.154 9.680 2.372 1.00 0.29 C ATOM 1347 O ARG A 85 4.066 9.754 2.909 1.00 0.51 O ATOM 1348 CB ARG A 85 6.682 11.654 2.658 1.00 0.44 C ATOM 1349 CG ARG A 85 5.500 12.207 1.855 1.00 2.37 C ATOM 1350 CD ARG A 85 5.738 13.691 1.567 1.00 2.74 C ATOM 1351 NE ARG A 85 4.427 14.395 1.449 1.00 4.13 N ATOM 1352 CZ ARG A 85 4.357 15.707 1.490 1.00 4.62 C ATOM 1353 NH1 ARG A 85 5.434 16.442 1.638 1.00 3.97 N ATOM 1354 NH2 ARG A 85 3.194 16.290 1.382 1.00 5.83 N ATOM 0 H ARG A 85 8.222 9.787 2.000 1.00 0.37 H new ATOM 0 HA ARG A 85 6.273 10.146 4.143 1.00 0.37 H new ATOM 0 HB2 ARG A 85 6.842 12.263 3.548 1.00 0.44 H new ATOM 0 HB3 ARG A 85 7.593 11.712 2.063 1.00 0.44 H new ATOM 0 HG2 ARG A 85 5.390 11.656 0.921 1.00 2.37 H new ATOM 0 HG3 ARG A 85 4.573 12.077 2.413 1.00 2.37 H new ATOM 0 HD2 ARG A 85 6.331 14.136 2.366 1.00 2.74 H new ATOM 0 HD3 ARG A 85 6.308 13.806 0.645 1.00 2.74 H new ATOM 0 HE ARG A 85 3.573 13.850 1.335 1.00 4.13 H new ATOM 0 HH11 ARG A 85 6.348 15.997 1.724 1.00 3.97 H new ATOM 0 HH12 ARG A 85 5.358 17.459 1.667 1.00 3.97 H new ATOM 0 HH21 ARG A 85 2.351 15.728 1.267 1.00 5.83 H new ATOM 0 HH22 ARG A 85 3.129 17.307 1.413 1.00 5.83 H new ATOM 1368 N PHE A 86 5.287 9.159 1.185 1.00 0.09 N ATOM 1369 CA PHE A 86 4.091 8.643 0.463 1.00 0.22 C ATOM 1370 C PHE A 86 3.491 7.466 1.238 1.00 0.13 C ATOM 1371 O PHE A 86 2.288 7.340 1.365 1.00 0.22 O ATOM 1372 CB PHE A 86 4.503 8.179 -0.937 1.00 0.38 C ATOM 1373 CG PHE A 86 3.943 9.129 -1.970 1.00 0.56 C ATOM 1374 CD1 PHE A 86 2.580 9.444 -1.964 1.00 0.28 C ATOM 1375 CD2 PHE A 86 4.788 9.694 -2.933 1.00 1.33 C ATOM 1376 CE1 PHE A 86 2.060 10.325 -2.919 1.00 0.47 C ATOM 1377 CE2 PHE A 86 4.268 10.576 -3.889 1.00 1.54 C ATOM 1378 CZ PHE A 86 2.904 10.891 -3.882 1.00 1.02 C ATOM 0 H PHE A 86 6.171 9.068 0.684 1.00 0.09 H new ATOM 0 HA PHE A 86 3.347 9.435 0.379 1.00 0.22 H new ATOM 0 HB2 PHE A 86 5.590 8.141 -1.014 1.00 0.38 H new ATOM 0 HB3 PHE A 86 4.135 7.169 -1.119 1.00 0.38 H new ATOM 0 HD1 PHE A 86 1.928 9.007 -1.222 1.00 0.28 H new ATOM 0 HD2 PHE A 86 5.840 9.450 -2.939 1.00 1.33 H new ATOM 0 HE1 PHE A 86 1.008 10.568 -2.913 1.00 0.47 H new ATOM 0 HE2 PHE A 86 4.919 11.013 -4.631 1.00 1.54 H new ATOM 0 HZ PHE A 86 2.503 11.571 -4.619 1.00 1.02 H new ATOM 1388 N LEU A 87 4.319 6.603 1.755 1.00 0.11 N ATOM 1389 CA LEU A 87 3.798 5.434 2.517 1.00 0.22 C ATOM 1390 C LEU A 87 3.226 5.904 3.856 1.00 0.27 C ATOM 1391 O LEU A 87 2.215 5.412 4.315 1.00 0.37 O ATOM 1392 CB LEU A 87 4.936 4.446 2.772 1.00 0.33 C ATOM 1393 CG LEU A 87 4.354 3.054 3.017 1.00 0.99 C ATOM 1394 CD1 LEU A 87 5.337 2.000 2.513 1.00 0.83 C ATOM 1395 CD2 LEU A 87 4.118 2.857 4.516 1.00 2.26 C ATOM 0 H LEU A 87 5.335 6.656 1.683 1.00 0.11 H new ATOM 0 HA LEU A 87 3.012 4.948 1.939 1.00 0.22 H new ATOM 0 HB2 LEU A 87 5.612 4.424 1.917 1.00 0.33 H new ATOM 0 HB3 LEU A 87 5.522 4.764 3.634 1.00 0.33 H new ATOM 0 HG LEU A 87 3.408 2.954 2.485 1.00 0.99 H new ATOM 0 HD11 LEU A 87 4.925 1.006 2.686 1.00 0.83 H new ATOM 0 HD12 LEU A 87 5.507 2.142 1.446 1.00 0.83 H new ATOM 0 HD13 LEU A 87 6.282 2.099 3.047 1.00 0.83 H new ATOM 0 HD21 LEU A 87 3.703 1.865 4.692 1.00 2.26 H new ATOM 0 HD22 LEU A 87 5.064 2.954 5.049 1.00 2.26 H new ATOM 0 HD23 LEU A 87 3.419 3.612 4.877 1.00 2.26 H new ATOM 1407 N LYS A 88 3.869 6.846 4.490 1.00 0.24 N ATOM 1408 CA LYS A 88 3.363 7.340 5.803 1.00 0.36 C ATOM 1409 C LYS A 88 1.904 7.779 5.663 1.00 0.30 C ATOM 1410 O LYS A 88 1.080 7.503 6.513 1.00 0.31 O ATOM 1411 CB LYS A 88 4.212 8.529 6.261 1.00 0.51 C ATOM 1412 CG LYS A 88 5.215 8.062 7.318 1.00 0.74 C ATOM 1413 CD LYS A 88 5.462 9.189 8.322 1.00 1.10 C ATOM 1414 CE LYS A 88 6.837 9.807 8.069 1.00 1.09 C ATOM 1415 NZ LYS A 88 7.109 10.855 9.094 1.00 1.32 N ATOM 0 H LYS A 88 4.722 7.295 4.156 1.00 0.24 H new ATOM 0 HA LYS A 88 3.428 6.539 6.539 1.00 0.36 H new ATOM 0 HB2 LYS A 88 4.739 8.962 5.411 1.00 0.51 H new ATOM 0 HB3 LYS A 88 3.572 9.310 6.671 1.00 0.51 H new ATOM 0 HG2 LYS A 88 4.833 7.180 7.832 1.00 0.74 H new ATOM 0 HG3 LYS A 88 6.152 7.773 6.842 1.00 0.74 H new ATOM 0 HD2 LYS A 88 4.687 9.950 8.228 1.00 1.10 H new ATOM 0 HD3 LYS A 88 5.407 8.802 9.340 1.00 1.10 H new ATOM 0 HE2 LYS A 88 7.607 9.036 8.109 1.00 1.09 H new ATOM 0 HE3 LYS A 88 6.873 10.242 7.070 1.00 1.09 H new ATOM 0 HZ1 LYS A 88 8.045 11.275 8.921 1.00 1.32 H new ATOM 0 HZ2 LYS A 88 6.381 11.595 9.035 1.00 1.32 H new ATOM 0 HZ3 LYS A 88 7.091 10.427 10.042 1.00 1.32 H new ATOM 1429 N ARG A 89 1.578 8.466 4.603 1.00 0.28 N ATOM 1430 CA ARG A 89 0.172 8.925 4.418 1.00 0.28 C ATOM 1431 C ARG A 89 -0.740 7.721 4.172 1.00 0.19 C ATOM 1432 O ARG A 89 -1.813 7.616 4.735 1.00 0.22 O ATOM 1433 CB ARG A 89 0.094 9.868 3.216 1.00 0.34 C ATOM 1434 CG ARG A 89 0.535 11.271 3.635 1.00 1.18 C ATOM 1435 CD ARG A 89 -0.630 12.246 3.451 1.00 0.95 C ATOM 1436 NE ARG A 89 -1.184 12.102 2.064 1.00 0.37 N ATOM 1437 CZ ARG A 89 -0.432 12.253 1.002 1.00 1.00 C ATOM 1438 NH1 ARG A 89 0.754 12.803 1.084 1.00 1.95 N ATOM 1439 NH2 ARG A 89 -0.906 11.928 -0.170 1.00 1.65 N ATOM 0 H ARG A 89 2.223 8.729 3.858 1.00 0.28 H new ATOM 0 HA ARG A 89 -0.152 9.448 5.318 1.00 0.28 H new ATOM 0 HB2 ARG A 89 0.731 9.501 2.411 1.00 0.34 H new ATOM 0 HB3 ARG A 89 -0.925 9.896 2.829 1.00 0.34 H new ATOM 0 HG2 ARG A 89 0.859 11.267 4.676 1.00 1.18 H new ATOM 0 HG3 ARG A 89 1.388 11.590 3.037 1.00 1.18 H new ATOM 0 HD2 ARG A 89 -1.407 12.045 4.188 1.00 0.95 H new ATOM 0 HD3 ARG A 89 -0.292 13.269 3.615 1.00 0.95 H new ATOM 0 HE ARG A 89 -2.173 11.881 1.945 1.00 0.37 H new ATOM 0 HH11 ARG A 89 1.107 13.122 1.986 1.00 1.95 H new ATOM 0 HH12 ARG A 89 1.325 12.912 0.246 1.00 1.95 H new ATOM 0 HH21 ARG A 89 -1.854 11.560 -0.253 1.00 1.65 H new ATOM 0 HH22 ARG A 89 -0.329 12.042 -1.003 1.00 1.65 H new ATOM 1453 N LEU A 90 -0.328 6.818 3.328 1.00 0.11 N ATOM 1454 CA LEU A 90 -1.178 5.627 3.035 1.00 0.11 C ATOM 1455 C LEU A 90 -1.200 4.661 4.227 1.00 0.09 C ATOM 1456 O LEU A 90 -1.938 3.698 4.232 1.00 0.19 O ATOM 1457 CB LEU A 90 -0.626 4.900 1.808 1.00 0.14 C ATOM 1458 CG LEU A 90 -1.788 4.374 0.966 1.00 0.23 C ATOM 1459 CD1 LEU A 90 -2.444 5.537 0.219 1.00 0.62 C ATOM 1460 CD2 LEU A 90 -1.261 3.353 -0.045 1.00 0.59 C ATOM 0 H LEU A 90 0.560 6.851 2.827 1.00 0.11 H new ATOM 0 HA LEU A 90 -2.196 5.968 2.845 1.00 0.11 H new ATOM 0 HB2 LEU A 90 -0.011 5.578 1.216 1.00 0.14 H new ATOM 0 HB3 LEU A 90 0.016 4.075 2.118 1.00 0.14 H new ATOM 0 HG LEU A 90 -2.523 3.899 1.616 1.00 0.23 H new ATOM 0 HD11 LEU A 90 -3.273 5.162 -0.382 1.00 0.62 H new ATOM 0 HD12 LEU A 90 -2.817 6.267 0.938 1.00 0.62 H new ATOM 0 HD13 LEU A 90 -1.710 6.012 -0.432 1.00 0.62 H new ATOM 0 HD21 LEU A 90 -2.088 2.976 -0.647 1.00 0.59 H new ATOM 0 HD22 LEU A 90 -0.527 3.830 -0.695 1.00 0.59 H new ATOM 0 HD23 LEU A 90 -0.792 2.525 0.486 1.00 0.59 H new ATOM 1472 N ASP A 91 -0.406 4.893 5.238 1.00 0.22 N ATOM 1473 CA ASP A 91 -0.412 3.965 6.403 1.00 0.27 C ATOM 1474 C ASP A 91 -1.679 4.186 7.231 1.00 0.25 C ATOM 1475 O ASP A 91 -2.307 3.251 7.686 1.00 0.32 O ATOM 1476 CB ASP A 91 0.819 4.228 7.273 1.00 0.37 C ATOM 1477 CG ASP A 91 0.983 3.091 8.284 1.00 0.51 C ATOM 1478 OD1 ASP A 91 -0.023 2.637 8.803 1.00 1.18 O ATOM 1479 OD2 ASP A 91 2.112 2.693 8.520 1.00 0.84 O ATOM 0 H ASP A 91 0.241 5.678 5.307 1.00 0.22 H new ATOM 0 HA ASP A 91 -0.390 2.936 6.044 1.00 0.27 H new ATOM 0 HB2 ASP A 91 1.709 4.304 6.648 1.00 0.37 H new ATOM 0 HB3 ASP A 91 0.712 5.179 7.794 1.00 0.37 H new ATOM 1484 N ARG A 92 -2.052 5.419 7.443 1.00 0.34 N ATOM 1485 CA ARG A 92 -3.271 5.702 8.254 1.00 0.40 C ATOM 1486 C ARG A 92 -4.510 5.792 7.356 1.00 0.37 C ATOM 1487 O ARG A 92 -5.618 5.583 7.800 1.00 0.40 O ATOM 1488 CB ARG A 92 -3.087 7.031 8.989 1.00 0.61 C ATOM 1489 CG ARG A 92 -1.954 6.897 10.006 1.00 0.96 C ATOM 1490 CD ARG A 92 -2.512 6.339 11.316 1.00 0.41 C ATOM 1491 NE ARG A 92 -1.417 6.257 12.327 1.00 1.38 N ATOM 1492 CZ ARG A 92 -1.684 6.084 13.601 1.00 1.53 C ATOM 1493 NH1 ARG A 92 -2.919 5.975 14.030 1.00 0.98 N ATOM 1494 NH2 ARG A 92 -0.700 6.015 14.456 1.00 2.55 N ATOM 0 H ARG A 92 -1.565 6.243 7.090 1.00 0.34 H new ATOM 0 HA ARG A 92 -3.413 4.891 8.968 1.00 0.40 H new ATOM 0 HB2 ARG A 92 -2.859 7.824 8.277 1.00 0.61 H new ATOM 0 HB3 ARG A 92 -4.012 7.311 9.493 1.00 0.61 H new ATOM 0 HG2 ARG A 92 -1.178 6.237 9.618 1.00 0.96 H new ATOM 0 HG3 ARG A 92 -1.489 7.868 10.180 1.00 0.96 H new ATOM 0 HD2 ARG A 92 -3.314 6.979 11.684 1.00 0.41 H new ATOM 0 HD3 ARG A 92 -2.943 5.352 11.149 1.00 0.41 H new ATOM 0 HE ARG A 92 -0.446 6.337 12.024 1.00 1.38 H new ATOM 0 HH11 ARG A 92 -3.695 6.024 13.369 1.00 0.98 H new ATOM 0 HH12 ARG A 92 -3.104 5.841 15.024 1.00 0.98 H new ATOM 0 HH21 ARG A 92 0.264 6.095 14.132 1.00 2.55 H new ATOM 0 HH22 ARG A 92 -0.895 5.881 15.448 1.00 2.55 H new ATOM 1508 N ASN A 93 -4.341 6.128 6.107 1.00 0.38 N ATOM 1509 CA ASN A 93 -5.524 6.258 5.203 1.00 0.47 C ATOM 1510 C ASN A 93 -5.964 4.890 4.669 1.00 0.44 C ATOM 1511 O ASN A 93 -7.139 4.631 4.513 1.00 0.57 O ATOM 1512 CB ASN A 93 -5.155 7.161 4.024 1.00 0.51 C ATOM 1513 CG ASN A 93 -5.706 8.568 4.263 1.00 0.86 C ATOM 1514 OD1 ASN A 93 -6.113 8.898 5.360 1.00 1.30 O ATOM 1515 ND2 ASN A 93 -5.733 9.420 3.276 1.00 1.62 N ATOM 0 H ASN A 93 -3.438 6.318 5.672 1.00 0.38 H new ATOM 0 HA ASN A 93 -6.349 6.688 5.771 1.00 0.47 H new ATOM 0 HB2 ASN A 93 -4.072 7.199 3.907 1.00 0.51 H new ATOM 0 HB3 ASN A 93 -5.562 6.753 3.099 1.00 0.51 H new ATOM 0 HD21 ASN A 93 -6.095 10.362 3.425 1.00 1.62 H new ATOM 0 HD22 ASN A 93 -5.392 9.145 2.355 1.00 1.62 H new ATOM 1522 N LEU A 94 -5.042 4.022 4.365 1.00 0.33 N ATOM 1523 CA LEU A 94 -5.431 2.689 3.816 1.00 0.41 C ATOM 1524 C LEU A 94 -6.236 1.890 4.849 1.00 0.45 C ATOM 1525 O LEU A 94 -7.327 1.429 4.575 1.00 0.65 O ATOM 1526 CB LEU A 94 -4.171 1.907 3.436 1.00 0.38 C ATOM 1527 CG LEU A 94 -4.523 0.836 2.402 1.00 0.57 C ATOM 1528 CD1 LEU A 94 -4.482 1.446 1.000 1.00 0.48 C ATOM 1529 CD2 LEU A 94 -3.508 -0.308 2.486 1.00 0.96 C ATOM 0 H LEU A 94 -4.039 4.174 4.471 1.00 0.33 H new ATOM 0 HA LEU A 94 -6.053 2.844 2.934 1.00 0.41 H new ATOM 0 HB2 LEU A 94 -3.419 2.584 3.031 1.00 0.38 H new ATOM 0 HB3 LEU A 94 -3.738 1.443 4.322 1.00 0.38 H new ATOM 0 HG LEU A 94 -5.523 0.453 2.604 1.00 0.57 H new ATOM 0 HD11 LEU A 94 -4.733 0.683 0.264 1.00 0.48 H new ATOM 0 HD12 LEU A 94 -5.202 2.262 0.937 1.00 0.48 H new ATOM 0 HD13 LEU A 94 -3.482 1.829 0.799 1.00 0.48 H new ATOM 0 HD21 LEU A 94 -3.758 -1.071 1.749 1.00 0.96 H new ATOM 0 HD22 LEU A 94 -2.508 0.077 2.284 1.00 0.96 H new ATOM 0 HD23 LEU A 94 -3.534 -0.745 3.484 1.00 0.96 H new ATOM 1541 N TRP A 95 -5.700 1.700 6.023 1.00 0.27 N ATOM 1542 CA TRP A 95 -6.428 0.907 7.058 1.00 0.31 C ATOM 1543 C TRP A 95 -7.309 1.809 7.935 1.00 0.31 C ATOM 1544 O TRP A 95 -8.184 1.340 8.635 1.00 0.33 O ATOM 1545 CB TRP A 95 -5.397 0.167 7.915 1.00 0.33 C ATOM 1546 CG TRP A 95 -5.023 0.963 9.126 1.00 0.43 C ATOM 1547 CD1 TRP A 95 -4.669 2.264 9.128 1.00 1.18 C ATOM 1548 CD2 TRP A 95 -4.931 0.513 10.504 1.00 0.46 C ATOM 1549 NE1 TRP A 95 -4.400 2.656 10.429 1.00 1.48 N ATOM 1550 CE2 TRP A 95 -4.541 1.605 11.315 1.00 0.94 C ATOM 1551 CE3 TRP A 95 -5.157 -0.723 11.122 1.00 0.90 C ATOM 1552 CZ2 TRP A 95 -4.383 1.465 12.697 1.00 1.01 C ATOM 1553 CZ3 TRP A 95 -4.994 -0.864 12.503 1.00 1.06 C ATOM 1554 CH2 TRP A 95 -4.611 0.225 13.291 1.00 0.81 C ATOM 0 H TRP A 95 -4.790 2.059 6.312 1.00 0.27 H new ATOM 0 HA TRP A 95 -7.088 0.193 6.566 1.00 0.31 H new ATOM 0 HB2 TRP A 95 -5.802 -0.797 8.222 1.00 0.33 H new ATOM 0 HB3 TRP A 95 -4.506 -0.036 7.321 1.00 0.33 H new ATOM 0 HD1 TRP A 95 -4.605 2.898 8.256 1.00 1.18 H new ATOM 0 HE1 TRP A 95 -4.131 3.602 10.699 1.00 1.48 H new ATOM 0 HE3 TRP A 95 -5.459 -1.573 10.528 1.00 0.90 H new ATOM 0 HZ2 TRP A 95 -4.087 2.311 13.299 1.00 1.01 H new ATOM 0 HZ3 TRP A 95 -5.166 -1.824 12.966 1.00 1.06 H new ATOM 0 HH2 TRP A 95 -4.492 0.106 14.358 1.00 0.81 H new ATOM 1565 N GLY A 96 -7.074 3.091 7.914 1.00 0.33 N ATOM 1566 CA GLY A 96 -7.886 4.023 8.756 1.00 0.34 C ATOM 1567 C GLY A 96 -9.377 3.787 8.510 1.00 0.40 C ATOM 1568 O GLY A 96 -10.164 3.742 9.434 1.00 0.50 O ATOM 0 H GLY A 96 -6.352 3.538 7.349 1.00 0.33 H new ATOM 0 HA2 GLY A 96 -7.654 3.869 9.810 1.00 0.34 H new ATOM 0 HA3 GLY A 96 -7.629 5.056 8.521 1.00 0.34 H new ATOM 1572 N LEU A 97 -9.773 3.637 7.274 1.00 0.38 N ATOM 1573 CA LEU A 97 -11.216 3.401 6.979 1.00 0.43 C ATOM 1574 C LEU A 97 -11.698 2.201 7.792 1.00 0.43 C ATOM 1575 O LEU A 97 -12.776 2.204 8.351 1.00 0.58 O ATOM 1576 CB LEU A 97 -11.394 3.111 5.488 1.00 0.83 C ATOM 1577 CG LEU A 97 -11.043 4.360 4.682 1.00 1.02 C ATOM 1578 CD1 LEU A 97 -10.169 3.967 3.490 1.00 2.52 C ATOM 1579 CD2 LEU A 97 -12.330 5.020 4.178 1.00 0.83 C ATOM 0 H LEU A 97 -9.162 3.668 6.458 1.00 0.38 H new ATOM 0 HA LEU A 97 -11.796 4.285 7.244 1.00 0.43 H new ATOM 0 HB2 LEU A 97 -10.755 2.280 5.189 1.00 0.83 H new ATOM 0 HB3 LEU A 97 -12.422 2.811 5.285 1.00 0.83 H new ATOM 0 HG LEU A 97 -10.500 5.062 5.315 1.00 1.02 H new ATOM 0 HD11 LEU A 97 -9.918 4.857 2.914 1.00 2.52 H new ATOM 0 HD12 LEU A 97 -9.254 3.497 3.849 1.00 2.52 H new ATOM 0 HD13 LEU A 97 -10.712 3.266 2.856 1.00 2.52 H new ATOM 0 HD21 LEU A 97 -12.081 5.912 3.603 1.00 0.83 H new ATOM 0 HD22 LEU A 97 -12.874 4.320 3.544 1.00 0.83 H new ATOM 0 HD23 LEU A 97 -12.953 5.299 5.028 1.00 0.83 H new ATOM 1591 N ALA A 98 -10.894 1.177 7.865 1.00 0.59 N ATOM 1592 CA ALA A 98 -11.280 -0.029 8.644 1.00 0.94 C ATOM 1593 C ALA A 98 -11.594 0.381 10.084 1.00 0.99 C ATOM 1594 O ALA A 98 -12.691 0.193 10.572 1.00 1.32 O ATOM 1595 CB ALA A 98 -10.112 -1.017 8.638 1.00 1.06 C ATOM 0 H ALA A 98 -9.980 1.125 7.415 1.00 0.59 H new ATOM 0 HA ALA A 98 -12.159 -0.495 8.199 1.00 0.94 H new ATOM 0 HB1 ALA A 98 -10.384 -1.906 9.207 1.00 1.06 H new ATOM 0 HB2 ALA A 98 -9.880 -1.300 7.611 1.00 1.06 H new ATOM 0 HB3 ALA A 98 -9.238 -0.550 9.092 1.00 1.06 H new ATOM 1601 N GLY A 99 -10.633 0.940 10.763 1.00 0.82 N ATOM 1602 CA GLY A 99 -10.858 1.371 12.173 1.00 1.18 C ATOM 1603 C GLY A 99 -10.705 0.175 13.118 1.00 1.40 C ATOM 1604 O GLY A 99 -11.234 0.167 14.212 1.00 2.23 O ATOM 0 H GLY A 99 -9.696 1.118 10.402 1.00 0.82 H new ATOM 0 HA2 GLY A 99 -10.145 2.151 12.442 1.00 1.18 H new ATOM 0 HA3 GLY A 99 -11.854 1.801 12.276 1.00 1.18 H new ATOM 1608 N LEU A 100 -9.979 -0.832 12.714 1.00 0.77 N ATOM 1609 CA LEU A 100 -9.791 -2.016 13.599 1.00 1.08 C ATOM 1610 C LEU A 100 -8.344 -2.040 14.090 1.00 0.70 C ATOM 1611 O LEU A 100 -7.458 -1.526 13.441 1.00 0.57 O ATOM 1612 CB LEU A 100 -10.088 -3.295 12.813 1.00 1.39 C ATOM 1613 CG LEU A 100 -11.186 -4.088 13.523 1.00 2.07 C ATOM 1614 CD1 LEU A 100 -10.728 -4.435 14.941 1.00 3.41 C ATOM 1615 CD2 LEU A 100 -12.459 -3.244 13.592 1.00 3.41 C ATOM 0 H LEU A 100 -9.509 -0.886 11.810 1.00 0.77 H new ATOM 0 HA LEU A 100 -10.469 -1.954 14.450 1.00 1.08 H new ATOM 0 HB2 LEU A 100 -10.402 -3.047 11.799 1.00 1.39 H new ATOM 0 HB3 LEU A 100 -9.185 -3.900 12.728 1.00 1.39 H new ATOM 0 HG LEU A 100 -11.387 -5.006 12.971 1.00 2.07 H new ATOM 0 HD11 LEU A 100 -11.510 -5.000 15.448 1.00 3.41 H new ATOM 0 HD12 LEU A 100 -9.819 -5.035 14.893 1.00 3.41 H new ATOM 0 HD13 LEU A 100 -10.528 -3.517 15.494 1.00 3.41 H new ATOM 0 HD21 LEU A 100 -13.243 -3.808 14.098 1.00 3.41 H new ATOM 0 HD22 LEU A 100 -12.258 -2.327 14.145 1.00 3.41 H new ATOM 0 HD23 LEU A 100 -12.786 -2.995 12.582 1.00 3.41 H new ATOM 1627 N ASN A 101 -8.093 -2.625 15.227 1.00 0.97 N ATOM 1628 CA ASN A 101 -6.695 -2.666 15.743 1.00 0.86 C ATOM 1629 C ASN A 101 -5.791 -3.346 14.715 1.00 1.03 C ATOM 1630 O ASN A 101 -6.231 -3.734 13.651 1.00 0.87 O ATOM 1631 CB ASN A 101 -6.656 -3.442 17.061 1.00 1.07 C ATOM 1632 CG ASN A 101 -6.450 -4.931 16.772 1.00 1.92 C ATOM 1633 OD1 ASN A 101 -7.284 -5.562 16.153 1.00 2.40 O ATOM 1634 ND2 ASN A 101 -5.369 -5.524 17.199 1.00 2.89 N ATOM 0 H ASN A 101 -8.791 -3.075 15.820 1.00 0.97 H new ATOM 0 HA ASN A 101 -6.342 -1.649 15.916 1.00 0.86 H new ATOM 0 HB2 ASN A 101 -5.849 -3.068 17.691 1.00 1.07 H new ATOM 0 HB3 ASN A 101 -7.585 -3.293 17.611 1.00 1.07 H new ATOM 0 HD21 ASN A 101 -5.224 -6.516 17.013 1.00 2.89 H new ATOM 0 HD22 ASN A 101 -4.669 -4.995 17.719 1.00 2.89 H new ATOM 1641 N SER A 102 -4.524 -3.466 15.016 1.00 2.33 N ATOM 1642 CA SER A 102 -3.566 -4.092 14.054 1.00 2.79 C ATOM 1643 C SER A 102 -4.109 -5.429 13.545 1.00 2.04 C ATOM 1644 O SER A 102 -4.949 -6.049 14.166 1.00 2.21 O ATOM 1645 CB SER A 102 -2.229 -4.325 14.755 1.00 4.19 C ATOM 1646 OG SER A 102 -2.467 -4.784 16.080 1.00 3.38 O ATOM 0 H SER A 102 -4.108 -3.155 15.894 1.00 2.33 H new ATOM 0 HA SER A 102 -3.433 -3.422 13.205 1.00 2.79 H new ATOM 0 HB2 SER A 102 -1.639 -5.058 14.204 1.00 4.19 H new ATOM 0 HB3 SER A 102 -1.650 -3.401 14.776 1.00 4.19 H new ATOM 0 HG SER A 102 -1.611 -4.936 16.532 1.00 3.38 H new ATOM 1652 N CYS A 103 -3.625 -5.880 12.417 1.00 1.70 N ATOM 1653 CA CYS A 103 -4.097 -7.177 11.863 1.00 1.06 C ATOM 1654 C CYS A 103 -2.881 -8.018 11.454 1.00 1.19 C ATOM 1655 O CYS A 103 -2.437 -7.941 10.325 1.00 0.82 O ATOM 1656 CB CYS A 103 -4.971 -6.932 10.628 1.00 0.20 C ATOM 1657 SG CYS A 103 -4.961 -5.175 10.189 1.00 1.30 S ATOM 0 H CYS A 103 -2.920 -5.401 11.856 1.00 1.70 H new ATOM 0 HA CYS A 103 -4.681 -7.700 12.620 1.00 1.06 H new ATOM 0 HB2 CYS A 103 -4.603 -7.525 9.791 1.00 0.20 H new ATOM 0 HB3 CYS A 103 -5.992 -7.258 10.826 1.00 0.20 H new ATOM 1662 N PRO A 104 -2.368 -8.795 12.380 1.00 1.93 N ATOM 1663 CA PRO A 104 -1.198 -9.649 12.116 1.00 2.15 C ATOM 1664 C PRO A 104 -1.469 -10.546 10.909 1.00 1.51 C ATOM 1665 O PRO A 104 -2.053 -11.606 11.027 1.00 1.77 O ATOM 1666 CB PRO A 104 -1.019 -10.479 13.394 1.00 3.01 C ATOM 1667 CG PRO A 104 -2.067 -9.986 14.424 1.00 3.41 C ATOM 1668 CD PRO A 104 -2.910 -8.893 13.748 1.00 2.70 C ATOM 0 HA PRO A 104 -0.301 -9.075 11.883 1.00 2.15 H new ATOM 0 HB2 PRO A 104 -1.158 -11.540 13.184 1.00 3.01 H new ATOM 0 HB3 PRO A 104 -0.010 -10.362 13.789 1.00 3.01 H new ATOM 0 HG2 PRO A 104 -2.701 -10.811 14.749 1.00 3.41 H new ATOM 0 HG3 PRO A 104 -1.574 -9.593 15.313 1.00 3.41 H new ATOM 0 HD2 PRO A 104 -3.967 -9.158 13.737 1.00 2.70 H new ATOM 0 HD3 PRO A 104 -2.825 -7.944 14.277 1.00 2.70 H new ATOM 1676 N VAL A 105 -1.055 -10.117 9.747 1.00 0.93 N ATOM 1677 CA VAL A 105 -1.284 -10.924 8.514 1.00 0.28 C ATOM 1678 C VAL A 105 -0.803 -12.362 8.729 1.00 0.38 C ATOM 1679 O VAL A 105 0.281 -12.599 9.224 1.00 0.66 O ATOM 1680 CB VAL A 105 -0.513 -10.297 7.351 1.00 0.55 C ATOM 1681 CG1 VAL A 105 0.983 -10.287 7.674 1.00 1.29 C ATOM 1682 CG2 VAL A 105 -0.756 -11.114 6.080 1.00 1.81 C ATOM 0 H VAL A 105 -0.564 -9.235 9.598 1.00 0.93 H new ATOM 0 HA VAL A 105 -2.350 -10.937 8.287 1.00 0.28 H new ATOM 0 HB VAL A 105 -0.856 -9.274 7.197 1.00 0.55 H new ATOM 0 HG11 VAL A 105 1.531 -9.840 6.845 1.00 1.29 H new ATOM 0 HG12 VAL A 105 1.156 -9.705 8.579 1.00 1.29 H new ATOM 0 HG13 VAL A 105 1.329 -11.309 7.829 1.00 1.29 H new ATOM 0 HG21 VAL A 105 -0.207 -10.668 5.250 1.00 1.81 H new ATOM 0 HG22 VAL A 105 -0.413 -12.137 6.234 1.00 1.81 H new ATOM 0 HG23 VAL A 105 -1.821 -11.119 5.849 1.00 1.81 H new ATOM 1692 N LYS A 106 -1.606 -13.323 8.361 1.00 0.40 N ATOM 1693 CA LYS A 106 -1.204 -14.746 8.541 1.00 0.78 C ATOM 1694 C LYS A 106 -1.299 -15.476 7.200 1.00 0.50 C ATOM 1695 O LYS A 106 -0.305 -15.750 6.558 1.00 0.51 O ATOM 1696 CB LYS A 106 -2.143 -15.419 9.544 1.00 1.32 C ATOM 1697 CG LYS A 106 -1.754 -15.015 10.966 1.00 2.09 C ATOM 1698 CD LYS A 106 -2.957 -15.200 11.893 1.00 3.37 C ATOM 1699 CE LYS A 106 -2.749 -16.445 12.757 1.00 3.45 C ATOM 1700 NZ LYS A 106 -2.396 -16.033 14.145 1.00 4.35 N ATOM 0 H LYS A 106 -2.526 -13.183 7.942 1.00 0.40 H new ATOM 0 HA LYS A 106 -0.180 -14.787 8.911 1.00 0.78 H new ATOM 0 HB2 LYS A 106 -3.174 -15.129 9.343 1.00 1.32 H new ATOM 0 HB3 LYS A 106 -2.090 -16.502 9.436 1.00 1.32 H new ATOM 0 HG2 LYS A 106 -0.917 -15.622 11.312 1.00 2.09 H new ATOM 0 HG3 LYS A 106 -1.424 -13.976 10.983 1.00 2.09 H new ATOM 0 HD2 LYS A 106 -3.080 -14.321 12.526 1.00 3.37 H new ATOM 0 HD3 LYS A 106 -3.870 -15.300 11.306 1.00 3.37 H new ATOM 0 HE2 LYS A 106 -3.655 -17.051 12.765 1.00 3.45 H new ATOM 0 HE3 LYS A 106 -1.956 -17.064 12.337 1.00 3.45 H new ATOM 0 HZ1 LYS A 106 -2.254 -16.879 14.733 1.00 4.35 H new ATOM 0 HZ2 LYS A 106 -1.520 -15.472 14.129 1.00 4.35 H new ATOM 0 HZ3 LYS A 106 -3.167 -15.460 14.544 1.00 4.35 H new ATOM 1714 N GLU A 107 -2.493 -15.798 6.780 1.00 1.35 N ATOM 1715 CA GLU A 107 -2.666 -16.516 5.486 1.00 1.22 C ATOM 1716 C GLU A 107 -2.006 -15.718 4.362 1.00 1.16 C ATOM 1717 O GLU A 107 -2.594 -14.818 3.797 1.00 1.65 O ATOM 1718 CB GLU A 107 -4.158 -16.673 5.190 1.00 1.55 C ATOM 1719 CG GLU A 107 -4.348 -17.093 3.733 1.00 1.95 C ATOM 1720 CD GLU A 107 -5.715 -17.759 3.568 1.00 2.71 C ATOM 1721 OE1 GLU A 107 -6.509 -17.671 4.491 1.00 2.91 O ATOM 1722 OE2 GLU A 107 -5.945 -18.344 2.523 1.00 3.34 O ATOM 0 H GLU A 107 -3.358 -15.594 7.280 1.00 1.35 H new ATOM 0 HA GLU A 107 -2.200 -17.499 5.552 1.00 1.22 H new ATOM 0 HB2 GLU A 107 -4.595 -17.419 5.854 1.00 1.55 H new ATOM 0 HB3 GLU A 107 -4.678 -15.734 5.379 1.00 1.55 H new ATOM 0 HG2 GLU A 107 -4.274 -16.223 3.080 1.00 1.95 H new ATOM 0 HG3 GLU A 107 -3.558 -17.782 3.436 1.00 1.95 H new ATOM 1729 N ALA A 108 -0.787 -16.041 4.034 1.00 0.92 N ATOM 1730 CA ALA A 108 -0.088 -15.302 2.948 1.00 1.02 C ATOM 1731 C ALA A 108 1.275 -15.944 2.688 1.00 0.90 C ATOM 1732 O ALA A 108 2.037 -16.196 3.601 1.00 0.73 O ATOM 1733 CB ALA A 108 0.107 -13.846 3.371 1.00 1.40 C ATOM 0 H ALA A 108 -0.244 -16.786 4.472 1.00 0.92 H new ATOM 0 HA ALA A 108 -0.686 -15.341 2.037 1.00 1.02 H new ATOM 0 HB1 ALA A 108 0.619 -13.302 2.577 1.00 1.40 H new ATOM 0 HB2 ALA A 108 -0.864 -13.388 3.557 1.00 1.40 H new ATOM 0 HB3 ALA A 108 0.706 -13.809 4.281 1.00 1.40 H new ATOM 1739 N ASP A 109 1.592 -16.209 1.451 1.00 1.04 N ATOM 1740 CA ASP A 109 2.908 -16.832 1.137 1.00 1.04 C ATOM 1741 C ASP A 109 3.922 -15.736 0.813 1.00 0.88 C ATOM 1742 O ASP A 109 3.702 -14.573 1.089 1.00 0.98 O ATOM 1743 CB ASP A 109 2.759 -17.757 -0.071 1.00 1.30 C ATOM 1744 CG ASP A 109 1.494 -18.603 0.086 1.00 2.56 C ATOM 1745 OD1 ASP A 109 1.356 -19.238 1.118 1.00 2.87 O ATOM 1746 OD2 ASP A 109 0.686 -18.598 -0.828 1.00 3.40 O ATOM 0 H ASP A 109 0.997 -16.021 0.644 1.00 1.04 H new ATOM 0 HA ASP A 109 3.252 -17.408 1.996 1.00 1.04 H new ATOM 0 HB2 ASP A 109 2.705 -17.170 -0.988 1.00 1.30 H new ATOM 0 HB3 ASP A 109 3.633 -18.403 -0.158 1.00 1.30 H new ATOM 1751 N GLN A 110 5.030 -16.093 0.222 1.00 0.74 N ATOM 1752 CA GLN A 110 6.049 -15.065 -0.123 1.00 0.65 C ATOM 1753 C GLN A 110 5.938 -14.723 -1.607 1.00 0.61 C ATOM 1754 O GLN A 110 6.574 -15.331 -2.444 1.00 0.64 O ATOM 1755 CB GLN A 110 7.453 -15.603 0.166 1.00 0.76 C ATOM 1756 CG GLN A 110 8.233 -14.577 0.990 1.00 0.56 C ATOM 1757 CD GLN A 110 7.837 -14.696 2.464 1.00 1.41 C ATOM 1758 OE1 GLN A 110 6.924 -15.423 2.803 1.00 2.33 O ATOM 1759 NE2 GLN A 110 8.491 -14.009 3.360 1.00 1.51 N ATOM 0 H GLN A 110 5.272 -17.050 -0.036 1.00 0.74 H new ATOM 0 HA GLN A 110 5.875 -14.173 0.478 1.00 0.65 H new ATOM 0 HB2 GLN A 110 7.388 -16.547 0.708 1.00 0.76 H new ATOM 0 HB3 GLN A 110 7.975 -15.807 -0.769 1.00 0.76 H new ATOM 0 HG2 GLN A 110 9.304 -14.742 0.876 1.00 0.56 H new ATOM 0 HG3 GLN A 110 8.026 -13.570 0.627 1.00 0.56 H new ATOM 0 HE21 GLN A 110 9.257 -13.399 3.076 1.00 1.51 H new ATOM 0 HE22 GLN A 110 8.236 -14.082 4.345 1.00 1.51 H new ATOM 1768 N SER A 111 5.145 -13.746 -1.941 1.00 0.56 N ATOM 1769 CA SER A 111 5.014 -13.366 -3.371 1.00 0.53 C ATOM 1770 C SER A 111 6.022 -12.263 -3.660 1.00 0.53 C ATOM 1771 O SER A 111 6.774 -11.862 -2.796 1.00 0.64 O ATOM 1772 CB SER A 111 3.598 -12.855 -3.645 1.00 0.49 C ATOM 1773 OG SER A 111 3.211 -11.963 -2.608 1.00 0.89 O ATOM 0 H SER A 111 4.585 -13.197 -1.289 1.00 0.56 H new ATOM 0 HA SER A 111 5.202 -14.229 -4.009 1.00 0.53 H new ATOM 0 HB2 SER A 111 3.562 -12.347 -4.609 1.00 0.49 H new ATOM 0 HB3 SER A 111 2.901 -13.692 -3.699 1.00 0.49 H new ATOM 0 HG SER A 111 2.474 -11.398 -2.921 1.00 0.89 H new ATOM 1779 N THR A 112 6.052 -11.759 -4.856 1.00 0.63 N ATOM 1780 CA THR A 112 7.020 -10.676 -5.161 1.00 0.58 C ATOM 1781 C THR A 112 6.301 -9.334 -5.050 1.00 0.49 C ATOM 1782 O THR A 112 5.221 -9.153 -5.574 1.00 0.51 O ATOM 1783 CB THR A 112 7.586 -10.873 -6.566 1.00 0.59 C ATOM 1784 OG1 THR A 112 6.518 -10.995 -7.496 1.00 0.64 O ATOM 1785 CG2 THR A 112 8.434 -12.148 -6.581 1.00 0.54 C ATOM 0 H THR A 112 5.454 -12.046 -5.631 1.00 0.63 H new ATOM 0 HA THR A 112 7.849 -10.699 -4.454 1.00 0.58 H new ATOM 0 HB THR A 112 8.202 -10.017 -6.843 1.00 0.59 H new ATOM 0 HG1 THR A 112 5.795 -10.383 -7.246 1.00 0.64 H new ATOM 0 HG21 THR A 112 8.844 -12.300 -7.579 1.00 0.54 H new ATOM 0 HG22 THR A 112 9.250 -12.051 -5.864 1.00 0.54 H new ATOM 0 HG23 THR A 112 7.813 -13.002 -6.310 1.00 0.54 H new ATOM 1793 N LEU A 113 6.885 -8.402 -4.347 1.00 0.47 N ATOM 1794 CA LEU A 113 6.235 -7.071 -4.166 1.00 0.38 C ATOM 1795 C LEU A 113 5.803 -6.494 -5.516 1.00 0.32 C ATOM 1796 O LEU A 113 4.899 -5.690 -5.590 1.00 0.35 O ATOM 1797 CB LEU A 113 7.215 -6.112 -3.493 1.00 0.43 C ATOM 1798 CG LEU A 113 6.472 -4.843 -3.076 1.00 0.34 C ATOM 1799 CD1 LEU A 113 6.985 -4.375 -1.714 1.00 0.91 C ATOM 1800 CD2 LEU A 113 6.709 -3.747 -4.117 1.00 1.29 C ATOM 0 H LEU A 113 7.790 -8.505 -3.887 1.00 0.47 H new ATOM 0 HA LEU A 113 5.351 -7.197 -3.540 1.00 0.38 H new ATOM 0 HB2 LEU A 113 7.666 -6.587 -2.621 1.00 0.43 H new ATOM 0 HB3 LEU A 113 8.027 -5.864 -4.177 1.00 0.43 H new ATOM 0 HG LEU A 113 5.405 -5.053 -3.008 1.00 0.34 H new ATOM 0 HD11 LEU A 113 6.455 -3.470 -1.417 1.00 0.91 H new ATOM 0 HD12 LEU A 113 6.814 -5.156 -0.973 1.00 0.91 H new ATOM 0 HD13 LEU A 113 8.053 -4.165 -1.780 1.00 0.91 H new ATOM 0 HD21 LEU A 113 6.179 -2.842 -3.820 1.00 1.29 H new ATOM 0 HD22 LEU A 113 7.776 -3.536 -4.187 1.00 1.29 H new ATOM 0 HD23 LEU A 113 6.341 -4.081 -5.087 1.00 1.29 H new ATOM 1812 N GLU A 114 6.435 -6.887 -6.584 1.00 0.25 N ATOM 1813 CA GLU A 114 6.038 -6.344 -7.912 1.00 0.20 C ATOM 1814 C GLU A 114 4.571 -6.690 -8.192 1.00 0.16 C ATOM 1815 O GLU A 114 3.760 -5.831 -8.482 1.00 0.12 O ATOM 1816 CB GLU A 114 6.923 -6.963 -8.996 1.00 0.23 C ATOM 1817 CG GLU A 114 7.503 -5.855 -9.877 1.00 0.54 C ATOM 1818 CD GLU A 114 8.915 -6.241 -10.318 1.00 0.65 C ATOM 1819 OE1 GLU A 114 9.626 -6.824 -9.516 1.00 1.77 O ATOM 1820 OE2 GLU A 114 9.262 -5.949 -11.451 1.00 1.48 O ATOM 0 H GLU A 114 7.205 -7.556 -6.597 1.00 0.25 H new ATOM 0 HA GLU A 114 6.160 -5.261 -7.913 1.00 0.20 H new ATOM 0 HB2 GLU A 114 7.729 -7.537 -8.538 1.00 0.23 H new ATOM 0 HB3 GLU A 114 6.341 -7.657 -9.602 1.00 0.23 H new ATOM 0 HG2 GLU A 114 6.868 -5.699 -10.749 1.00 0.54 H new ATOM 0 HG3 GLU A 114 7.527 -4.914 -9.328 1.00 0.54 H new ATOM 1827 N ASN A 115 4.230 -7.946 -8.114 1.00 0.19 N ATOM 1828 CA ASN A 115 2.822 -8.362 -8.385 1.00 0.18 C ATOM 1829 C ASN A 115 1.899 -7.902 -7.254 1.00 0.16 C ATOM 1830 O ASN A 115 0.724 -7.684 -7.458 1.00 0.14 O ATOM 1831 CB ASN A 115 2.758 -9.887 -8.497 1.00 0.24 C ATOM 1832 CG ASN A 115 1.884 -10.277 -9.691 1.00 0.97 C ATOM 1833 OD1 ASN A 115 2.355 -10.884 -10.632 1.00 1.70 O ATOM 1834 ND2 ASN A 115 0.620 -9.952 -9.691 1.00 1.82 N ATOM 0 H ASN A 115 4.866 -8.706 -7.874 1.00 0.19 H new ATOM 0 HA ASN A 115 2.494 -7.903 -9.317 1.00 0.18 H new ATOM 0 HB2 ASN A 115 3.761 -10.295 -8.619 1.00 0.24 H new ATOM 0 HB3 ASN A 115 2.350 -10.312 -7.580 1.00 0.24 H new ATOM 0 HD21 ASN A 115 0.028 -10.208 -10.481 1.00 1.82 H new ATOM 0 HD22 ASN A 115 0.224 -9.442 -8.901 1.00 1.82 H new ATOM 1841 N PHE A 116 2.412 -7.762 -6.065 1.00 0.22 N ATOM 1842 CA PHE A 116 1.548 -7.323 -4.929 1.00 0.22 C ATOM 1843 C PHE A 116 1.010 -5.918 -5.207 1.00 0.24 C ATOM 1844 O PHE A 116 -0.179 -5.721 -5.370 1.00 0.33 O ATOM 1845 CB PHE A 116 2.377 -7.322 -3.642 1.00 0.21 C ATOM 1846 CG PHE A 116 1.689 -6.499 -2.578 1.00 0.12 C ATOM 1847 CD1 PHE A 116 0.650 -7.054 -1.821 1.00 0.22 C ATOM 1848 CD2 PHE A 116 2.100 -5.182 -2.341 1.00 0.19 C ATOM 1849 CE1 PHE A 116 0.023 -6.291 -0.828 1.00 0.23 C ATOM 1850 CE2 PHE A 116 1.472 -4.419 -1.349 1.00 0.20 C ATOM 1851 CZ PHE A 116 0.433 -4.975 -0.592 1.00 0.14 C ATOM 0 H PHE A 116 3.390 -7.931 -5.828 1.00 0.22 H new ATOM 0 HA PHE A 116 0.707 -8.007 -4.818 1.00 0.22 H new ATOM 0 HB2 PHE A 116 2.515 -8.344 -3.289 1.00 0.21 H new ATOM 0 HB3 PHE A 116 3.369 -6.917 -3.840 1.00 0.21 H new ATOM 0 HD1 PHE A 116 0.332 -8.070 -2.003 1.00 0.22 H new ATOM 0 HD2 PHE A 116 2.902 -4.754 -2.924 1.00 0.19 H new ATOM 0 HE1 PHE A 116 -0.778 -6.719 -0.244 1.00 0.23 H new ATOM 0 HE2 PHE A 116 1.789 -3.402 -1.168 1.00 0.20 H new ATOM 0 HZ PHE A 116 -0.051 -4.387 0.174 1.00 0.14 H new ATOM 1861 N LEU A 117 1.871 -4.941 -5.268 1.00 0.28 N ATOM 1862 CA LEU A 117 1.404 -3.555 -5.541 1.00 0.33 C ATOM 1863 C LEU A 117 0.597 -3.547 -6.840 1.00 0.28 C ATOM 1864 O LEU A 117 -0.318 -2.767 -7.009 1.00 0.29 O ATOM 1865 CB LEU A 117 2.610 -2.621 -5.675 1.00 0.38 C ATOM 1866 CG LEU A 117 2.716 -1.746 -4.425 1.00 0.65 C ATOM 1867 CD1 LEU A 117 4.121 -1.148 -4.332 1.00 1.01 C ATOM 1868 CD2 LEU A 117 1.688 -0.615 -4.506 1.00 1.21 C ATOM 0 H LEU A 117 2.878 -5.043 -5.140 1.00 0.28 H new ATOM 0 HA LEU A 117 0.778 -3.210 -4.719 1.00 0.33 H new ATOM 0 HB2 LEU A 117 3.522 -3.203 -5.803 1.00 0.38 H new ATOM 0 HB3 LEU A 117 2.503 -1.996 -6.562 1.00 0.38 H new ATOM 0 HG LEU A 117 2.522 -2.355 -3.542 1.00 0.65 H new ATOM 0 HD11 LEU A 117 4.193 -0.525 -3.440 1.00 1.01 H new ATOM 0 HD12 LEU A 117 4.855 -1.951 -4.274 1.00 1.01 H new ATOM 0 HD13 LEU A 117 4.317 -0.541 -5.216 1.00 1.01 H new ATOM 0 HD21 LEU A 117 1.763 0.009 -3.616 1.00 1.21 H new ATOM 0 HD22 LEU A 117 1.882 -0.009 -5.391 1.00 1.21 H new ATOM 0 HD23 LEU A 117 0.686 -1.038 -4.569 1.00 1.21 H new ATOM 1880 N GLU A 118 0.927 -4.415 -7.756 1.00 0.23 N ATOM 1881 CA GLU A 118 0.174 -4.462 -9.039 1.00 0.18 C ATOM 1882 C GLU A 118 -1.318 -4.651 -8.749 1.00 0.13 C ATOM 1883 O GLU A 118 -2.146 -3.880 -9.188 1.00 0.11 O ATOM 1884 CB GLU A 118 0.684 -5.632 -9.884 1.00 0.28 C ATOM 1885 CG GLU A 118 0.012 -5.604 -11.257 1.00 0.18 C ATOM 1886 CD GLU A 118 0.523 -4.401 -12.053 1.00 1.41 C ATOM 1887 OE1 GLU A 118 0.040 -3.307 -11.810 1.00 2.55 O ATOM 1888 OE2 GLU A 118 1.387 -4.594 -12.893 1.00 1.55 O ATOM 0 H GLU A 118 1.685 -5.093 -7.671 1.00 0.23 H new ATOM 0 HA GLU A 118 0.321 -3.529 -9.583 1.00 0.18 H new ATOM 0 HB2 GLU A 118 1.766 -5.568 -9.996 1.00 0.28 H new ATOM 0 HB3 GLU A 118 0.471 -6.576 -9.383 1.00 0.28 H new ATOM 0 HG2 GLU A 118 0.225 -6.527 -11.796 1.00 0.18 H new ATOM 0 HG3 GLU A 118 -1.070 -5.544 -11.142 1.00 0.18 H new ATOM 1895 N ARG A 119 -1.664 -5.672 -8.012 1.00 0.22 N ATOM 1896 CA ARG A 119 -3.103 -5.916 -7.694 1.00 0.29 C ATOM 1897 C ARG A 119 -3.619 -4.858 -6.712 1.00 0.23 C ATOM 1898 O ARG A 119 -4.806 -4.708 -6.534 1.00 0.26 O ATOM 1899 CB ARG A 119 -3.266 -7.299 -7.061 1.00 0.45 C ATOM 1900 CG ARG A 119 -2.468 -8.334 -7.854 1.00 0.18 C ATOM 1901 CD ARG A 119 -2.977 -9.736 -7.513 1.00 0.99 C ATOM 1902 NE ARG A 119 -4.034 -10.135 -8.490 1.00 0.82 N ATOM 1903 CZ ARG A 119 -4.442 -11.381 -8.573 1.00 1.32 C ATOM 1904 NH1 ARG A 119 -3.946 -12.313 -7.794 1.00 2.38 N ATOM 1905 NH2 ARG A 119 -5.360 -11.697 -9.446 1.00 1.52 N ATOM 0 H ARG A 119 -1.012 -6.349 -7.615 1.00 0.22 H new ATOM 0 HA ARG A 119 -3.675 -5.860 -8.620 1.00 0.29 H new ATOM 0 HB2 ARG A 119 -2.923 -7.277 -6.027 1.00 0.45 H new ATOM 0 HB3 ARG A 119 -4.320 -7.577 -7.041 1.00 0.45 H new ATOM 0 HG2 ARG A 119 -2.570 -8.148 -8.923 1.00 0.18 H new ATOM 0 HG3 ARG A 119 -1.407 -8.252 -7.616 1.00 0.18 H new ATOM 0 HD2 ARG A 119 -2.154 -10.450 -7.541 1.00 0.99 H new ATOM 0 HD3 ARG A 119 -3.379 -9.752 -6.500 1.00 0.99 H new ATOM 0 HE ARG A 119 -4.445 -9.430 -9.102 1.00 0.82 H new ATOM 0 HH11 ARG A 119 -3.230 -12.076 -7.108 1.00 2.38 H new ATOM 0 HH12 ARG A 119 -4.277 -13.274 -7.875 1.00 2.38 H new ATOM 0 HH21 ARG A 119 -5.753 -10.979 -10.055 1.00 1.52 H new ATOM 0 HH22 ARG A 119 -5.684 -12.661 -9.519 1.00 1.52 H new ATOM 1919 N LEU A 120 -2.758 -4.123 -6.066 1.00 0.21 N ATOM 1920 CA LEU A 120 -3.263 -3.092 -5.116 1.00 0.25 C ATOM 1921 C LEU A 120 -3.870 -1.940 -5.920 1.00 0.29 C ATOM 1922 O LEU A 120 -4.893 -1.388 -5.562 1.00 0.38 O ATOM 1923 CB LEU A 120 -2.114 -2.570 -4.253 1.00 0.30 C ATOM 1924 CG LEU A 120 -2.375 -2.937 -2.791 1.00 0.45 C ATOM 1925 CD1 LEU A 120 -1.777 -4.313 -2.496 1.00 1.88 C ATOM 1926 CD2 LEU A 120 -1.727 -1.895 -1.878 1.00 1.55 C ATOM 0 H LEU A 120 -1.744 -4.188 -6.151 1.00 0.21 H new ATOM 0 HA LEU A 120 -4.019 -3.530 -4.464 1.00 0.25 H new ATOM 0 HB2 LEU A 120 -1.169 -3.000 -4.585 1.00 0.30 H new ATOM 0 HB3 LEU A 120 -2.026 -1.489 -4.359 1.00 0.30 H new ATOM 0 HG LEU A 120 -3.450 -2.960 -2.610 1.00 0.45 H new ATOM 0 HD11 LEU A 120 -1.963 -4.575 -1.454 1.00 1.88 H new ATOM 0 HD12 LEU A 120 -2.239 -5.057 -3.145 1.00 1.88 H new ATOM 0 HD13 LEU A 120 -0.703 -4.289 -2.678 1.00 1.88 H new ATOM 0 HD21 LEU A 120 -1.914 -2.157 -0.837 1.00 1.55 H new ATOM 0 HD22 LEU A 120 -0.652 -1.870 -2.059 1.00 1.55 H new ATOM 0 HD23 LEU A 120 -2.153 -0.913 -2.087 1.00 1.55 H new ATOM 1938 N LYS A 121 -3.250 -1.583 -7.011 1.00 0.26 N ATOM 1939 CA LYS A 121 -3.784 -0.473 -7.851 1.00 0.31 C ATOM 1940 C LYS A 121 -4.992 -0.971 -8.648 1.00 0.20 C ATOM 1941 O LYS A 121 -6.051 -0.377 -8.628 1.00 0.31 O ATOM 1942 CB LYS A 121 -2.697 -0.012 -8.822 1.00 0.43 C ATOM 1943 CG LYS A 121 -2.703 1.514 -8.914 1.00 0.98 C ATOM 1944 CD LYS A 121 -1.659 1.966 -9.937 1.00 1.53 C ATOM 1945 CE LYS A 121 -2.016 1.403 -11.314 1.00 1.24 C ATOM 1946 NZ LYS A 121 -1.215 2.103 -12.358 1.00 1.72 N ATOM 0 H LYS A 121 -2.393 -2.014 -7.358 1.00 0.26 H new ATOM 0 HA LYS A 121 -4.086 0.356 -7.211 1.00 0.31 H new ATOM 0 HB2 LYS A 121 -1.722 -0.362 -8.484 1.00 0.43 H new ATOM 0 HB3 LYS A 121 -2.868 -0.446 -9.807 1.00 0.43 H new ATOM 0 HG2 LYS A 121 -3.692 1.868 -9.207 1.00 0.98 H new ATOM 0 HG3 LYS A 121 -2.485 1.949 -7.939 1.00 0.98 H new ATOM 0 HD2 LYS A 121 -1.621 3.055 -9.976 1.00 1.53 H new ATOM 0 HD3 LYS A 121 -0.669 1.623 -9.638 1.00 1.53 H new ATOM 0 HE2 LYS A 121 -1.816 0.332 -11.344 1.00 1.24 H new ATOM 0 HE3 LYS A 121 -3.081 1.534 -11.508 1.00 1.24 H new ATOM 0 HZ1 LYS A 121 -1.457 1.721 -13.295 1.00 1.72 H new ATOM 0 HZ2 LYS A 121 -1.427 3.121 -12.334 1.00 1.72 H new ATOM 0 HZ3 LYS A 121 -0.202 1.956 -12.175 1.00 1.72 H new ATOM 1960 N THR A 122 -4.827 -2.056 -9.352 1.00 0.22 N ATOM 1961 CA THR A 122 -5.954 -2.609 -10.166 1.00 0.33 C ATOM 1962 C THR A 122 -7.195 -2.763 -9.287 1.00 0.29 C ATOM 1963 O THR A 122 -8.261 -2.274 -9.601 1.00 0.37 O ATOM 1964 CB THR A 122 -5.574 -3.985 -10.743 1.00 0.44 C ATOM 1965 OG1 THR A 122 -4.332 -4.418 -10.211 1.00 0.34 O ATOM 1966 CG2 THR A 122 -5.468 -3.886 -12.266 1.00 0.60 C ATOM 0 H THR A 122 -3.958 -2.588 -9.401 1.00 0.22 H new ATOM 0 HA THR A 122 -6.161 -1.921 -10.986 1.00 0.33 H new ATOM 0 HB THR A 122 -6.345 -4.706 -10.472 1.00 0.44 H new ATOM 0 HG1 THR A 122 -4.026 -5.211 -10.699 1.00 0.34 H new ATOM 0 HG21 THR A 122 -5.199 -4.859 -12.676 1.00 0.60 H new ATOM 0 HG22 THR A 122 -6.427 -3.571 -12.678 1.00 0.60 H new ATOM 0 HG23 THR A 122 -4.702 -3.157 -12.531 1.00 0.60 H new ATOM 1974 N ILE A 123 -7.058 -3.443 -8.189 1.00 0.32 N ATOM 1975 CA ILE A 123 -8.218 -3.644 -7.275 1.00 0.39 C ATOM 1976 C ILE A 123 -8.739 -2.288 -6.802 1.00 0.27 C ATOM 1977 O ILE A 123 -9.919 -2.104 -6.600 1.00 0.26 O ATOM 1978 CB ILE A 123 -7.779 -4.462 -6.060 1.00 0.53 C ATOM 1979 CG1 ILE A 123 -7.294 -5.842 -6.514 1.00 0.66 C ATOM 1980 CG2 ILE A 123 -8.961 -4.628 -5.105 1.00 0.79 C ATOM 1981 CD1 ILE A 123 -8.491 -6.695 -6.940 1.00 0.87 C ATOM 0 H ILE A 123 -6.186 -3.873 -7.880 1.00 0.32 H new ATOM 0 HA ILE A 123 -9.006 -4.174 -7.809 1.00 0.39 H new ATOM 0 HB ILE A 123 -6.967 -3.944 -5.551 1.00 0.53 H new ATOM 0 HG12 ILE A 123 -6.596 -5.738 -7.344 1.00 0.66 H new ATOM 0 HG13 ILE A 123 -6.755 -6.333 -5.704 1.00 0.66 H new ATOM 0 HG21 ILE A 123 -8.649 -5.211 -4.238 1.00 0.79 H new ATOM 0 HG22 ILE A 123 -9.305 -3.647 -4.778 1.00 0.79 H new ATOM 0 HG23 ILE A 123 -9.773 -5.145 -5.617 1.00 0.79 H new ATOM 0 HD11 ILE A 123 -8.142 -7.676 -7.262 1.00 0.87 H new ATOM 0 HD12 ILE A 123 -9.173 -6.811 -6.098 1.00 0.87 H new ATOM 0 HD13 ILE A 123 -9.011 -6.206 -7.764 1.00 0.87 H new ATOM 1993 N MET A 124 -7.867 -1.340 -6.612 1.00 0.22 N ATOM 1994 CA MET A 124 -8.318 -0.002 -6.141 1.00 0.20 C ATOM 1995 C MET A 124 -9.328 0.588 -7.132 1.00 0.24 C ATOM 1996 O MET A 124 -10.500 0.700 -6.851 1.00 0.67 O ATOM 1997 CB MET A 124 -7.110 0.934 -6.028 1.00 0.28 C ATOM 1998 CG MET A 124 -7.167 1.686 -4.701 1.00 1.00 C ATOM 1999 SD MET A 124 -6.469 0.656 -3.388 1.00 0.59 S ATOM 2000 CE MET A 124 -5.627 1.985 -2.496 1.00 0.69 C ATOM 0 H MET A 124 -6.862 -1.433 -6.762 1.00 0.22 H new ATOM 0 HA MET A 124 -8.793 -0.108 -5.165 1.00 0.20 H new ATOM 0 HB2 MET A 124 -6.185 0.360 -6.093 1.00 0.28 H new ATOM 0 HB3 MET A 124 -7.106 1.641 -6.858 1.00 0.28 H new ATOM 0 HG2 MET A 124 -6.612 2.621 -4.777 1.00 1.00 H new ATOM 0 HG3 MET A 124 -8.198 1.946 -4.463 1.00 1.00 H new ATOM 0 HE1 MET A 124 -4.750 1.584 -1.988 1.00 0.69 H new ATOM 0 HE2 MET A 124 -5.317 2.757 -3.201 1.00 0.69 H new ATOM 0 HE3 MET A 124 -6.306 2.417 -1.761 1.00 0.69 H new ATOM 2010 N ARG A 125 -8.879 0.976 -8.288 1.00 0.31 N ATOM 2011 CA ARG A 125 -9.810 1.578 -9.289 1.00 0.47 C ATOM 2012 C ARG A 125 -10.973 0.629 -9.612 1.00 0.40 C ATOM 2013 O ARG A 125 -11.983 1.044 -10.144 1.00 0.36 O ATOM 2014 CB ARG A 125 -9.036 1.880 -10.572 1.00 0.67 C ATOM 2015 CG ARG A 125 -9.350 3.302 -11.039 1.00 1.13 C ATOM 2016 CD ARG A 125 -8.252 3.780 -11.992 1.00 1.35 C ATOM 2017 NE ARG A 125 -8.066 2.776 -13.083 1.00 0.33 N ATOM 2018 CZ ARG A 125 -7.386 3.074 -14.167 1.00 0.77 C ATOM 2019 NH1 ARG A 125 -6.861 4.264 -14.335 1.00 1.62 N ATOM 2020 NH2 ARG A 125 -7.232 2.171 -15.095 1.00 1.50 N ATOM 0 H ARG A 125 -7.907 0.904 -8.588 1.00 0.31 H new ATOM 0 HA ARG A 125 -10.224 2.494 -8.867 1.00 0.47 H new ATOM 0 HB2 ARG A 125 -7.966 1.772 -10.397 1.00 0.67 H new ATOM 0 HB3 ARG A 125 -9.306 1.164 -11.348 1.00 0.67 H new ATOM 0 HG2 ARG A 125 -10.318 3.326 -11.540 1.00 1.13 H new ATOM 0 HG3 ARG A 125 -9.419 3.971 -10.181 1.00 1.13 H new ATOM 0 HD2 ARG A 125 -8.520 4.748 -12.416 1.00 1.35 H new ATOM 0 HD3 ARG A 125 -7.318 3.918 -11.447 1.00 1.35 H new ATOM 0 HE ARG A 125 -8.473 1.846 -12.985 1.00 0.33 H new ATOM 0 HH11 ARG A 125 -6.977 4.979 -13.617 1.00 1.62 H new ATOM 0 HH12 ARG A 125 -6.337 4.475 -15.184 1.00 1.62 H new ATOM 0 HH21 ARG A 125 -7.638 1.243 -14.976 1.00 1.50 H new ATOM 0 HH22 ARG A 125 -6.706 2.393 -15.940 1.00 1.50 H new ATOM 2034 N GLU A 126 -10.843 -0.635 -9.322 1.00 0.47 N ATOM 2035 CA GLU A 126 -11.947 -1.585 -9.645 1.00 0.49 C ATOM 2036 C GLU A 126 -13.136 -1.399 -8.691 1.00 0.51 C ATOM 2037 O GLU A 126 -14.233 -1.088 -9.109 1.00 0.58 O ATOM 2038 CB GLU A 126 -11.429 -3.020 -9.526 1.00 0.80 C ATOM 2039 CG GLU A 126 -11.715 -3.778 -10.824 1.00 0.63 C ATOM 2040 CD GLU A 126 -11.473 -5.273 -10.605 1.00 1.35 C ATOM 2041 OE1 GLU A 126 -12.239 -5.876 -9.872 1.00 2.41 O ATOM 2042 OE2 GLU A 126 -10.526 -5.789 -11.175 1.00 1.47 O ATOM 0 H GLU A 126 -10.025 -1.051 -8.877 1.00 0.47 H new ATOM 0 HA GLU A 126 -12.285 -1.385 -10.662 1.00 0.49 H new ATOM 0 HB2 GLU A 126 -10.358 -3.015 -9.324 1.00 0.80 H new ATOM 0 HB3 GLU A 126 -11.909 -3.522 -8.686 1.00 0.80 H new ATOM 0 HG2 GLU A 126 -12.745 -3.607 -11.138 1.00 0.63 H new ATOM 0 HG3 GLU A 126 -11.073 -3.408 -11.623 1.00 0.63 H new ATOM 2049 N LYS A 127 -12.937 -1.621 -7.420 1.00 0.61 N ATOM 2050 CA LYS A 127 -14.068 -1.497 -6.450 1.00 0.69 C ATOM 2051 C LYS A 127 -14.167 -0.082 -5.863 1.00 0.63 C ATOM 2052 O LYS A 127 -14.961 0.162 -4.976 1.00 1.05 O ATOM 2053 CB LYS A 127 -13.859 -2.495 -5.310 1.00 0.89 C ATOM 2054 CG LYS A 127 -13.822 -3.917 -5.872 1.00 0.50 C ATOM 2055 CD LYS A 127 -14.540 -4.867 -4.910 1.00 0.93 C ATOM 2056 CE LYS A 127 -13.871 -4.810 -3.535 1.00 1.50 C ATOM 2057 NZ LYS A 127 -14.650 -5.637 -2.570 1.00 2.31 N ATOM 0 H LYS A 127 -12.041 -1.883 -7.009 1.00 0.61 H new ATOM 0 HA LYS A 127 -14.994 -1.705 -6.985 1.00 0.69 H new ATOM 0 HB2 LYS A 127 -12.928 -2.276 -4.787 1.00 0.89 H new ATOM 0 HB3 LYS A 127 -14.663 -2.403 -4.580 1.00 0.89 H new ATOM 0 HG2 LYS A 127 -14.300 -3.945 -6.851 1.00 0.50 H new ATOM 0 HG3 LYS A 127 -12.789 -4.237 -6.012 1.00 0.50 H new ATOM 0 HD2 LYS A 127 -15.591 -4.589 -4.826 1.00 0.93 H new ATOM 0 HD3 LYS A 127 -14.509 -5.885 -5.298 1.00 0.93 H new ATOM 0 HE2 LYS A 127 -12.847 -5.177 -3.601 1.00 1.50 H new ATOM 0 HE3 LYS A 127 -13.818 -3.778 -3.187 1.00 1.50 H new ATOM 0 HZ1 LYS A 127 -14.196 -5.599 -1.635 1.00 2.31 H new ATOM 0 HZ2 LYS A 127 -15.620 -5.267 -2.500 1.00 2.31 H new ATOM 0 HZ3 LYS A 127 -14.678 -6.622 -2.901 1.00 2.31 H new ATOM 2071 N TYR A 128 -13.387 0.854 -6.326 1.00 0.40 N ATOM 2072 CA TYR A 128 -13.482 2.227 -5.751 1.00 0.37 C ATOM 2073 C TYR A 128 -14.538 3.030 -6.511 1.00 0.66 C ATOM 2074 O TYR A 128 -15.174 3.909 -5.965 1.00 1.02 O ATOM 2075 CB TYR A 128 -12.131 2.933 -5.859 1.00 0.50 C ATOM 2076 CG TYR A 128 -11.271 2.572 -4.669 1.00 0.86 C ATOM 2077 CD1 TYR A 128 -11.118 1.234 -4.292 1.00 1.40 C ATOM 2078 CD2 TYR A 128 -10.618 3.578 -3.947 1.00 2.32 C ATOM 2079 CE1 TYR A 128 -10.312 0.900 -3.200 1.00 2.08 C ATOM 2080 CE2 TYR A 128 -9.815 3.244 -2.850 1.00 3.01 C ATOM 2081 CZ TYR A 128 -9.661 1.904 -2.477 1.00 2.60 C ATOM 2082 OH TYR A 128 -8.865 1.574 -1.398 1.00 3.49 O ATOM 0 H TYR A 128 -12.697 0.733 -7.067 1.00 0.40 H new ATOM 0 HA TYR A 128 -13.765 2.154 -4.701 1.00 0.37 H new ATOM 0 HB2 TYR A 128 -11.631 2.643 -6.783 1.00 0.50 H new ATOM 0 HB3 TYR A 128 -12.276 4.012 -5.901 1.00 0.50 H new ATOM 0 HD1 TYR A 128 -11.624 0.457 -4.846 1.00 1.40 H new ATOM 0 HD2 TYR A 128 -10.734 4.612 -4.236 1.00 2.32 H new ATOM 0 HE1 TYR A 128 -10.192 -0.135 -2.914 1.00 2.08 H new ATOM 0 HE2 TYR A 128 -9.314 4.021 -2.291 1.00 3.01 H new ATOM 0 HH TYR A 128 -9.158 0.716 -1.026 1.00 3.49 H new