USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 968 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 40 LYS NZ :NH3+ -179:sc= 1.21 (180deg=0) USER MOD Set 1.2: B 60 SER OG : rot 77:sc= 1.85 USER MOD Set 2.1: B 21 ASN : amide:sc= -0.656! K(o=0.66!,f=-2) USER MOD Set 2.2: B 27 LYS NZ :NH3+ -177:sc= 1.32! (180deg=0.396) USER MOD Set 3.1: A 40 LYS NZ :NH3+ -174:sc= 0.821 (180deg=0) USER MOD Set 3.2: A 60 SER OG : rot 82:sc= 1.4 USER MOD Single : A 8 THR OG1 : rot 25:sc= 0.147 USER MOD Single : A 14 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.00029) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 153:sc= 1.32 USER MOD Single : A 21 ASN : amide:sc= -0.391 K(o=-0.39,f=-1.4) USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -0.0623 (180deg=-0.374) USER MOD Single : A 26 THR OG1 : rot 137:sc= 0.0393 USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 2.27 (180deg=0.728!) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.96 F(o=-2.7!,f=-2) USER MOD Single : A 33 SER OG : rot -127:sc= -0.371 USER MOD Single : A 35 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.79) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0727 USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= -0.0798 (180deg=-0.335) USER MOD Single : A 58 THR OG1 : rot 38:sc= 0.146 USER MOD Single : A 61 ASN : amide:sc=-0.00214 X(o=-0.0021,f=-0.46) USER MOD Single : A 65 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.2) USER MOD Single : A 66 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 67 MET CE :methyl -167:sc= -0.0028 (180deg=-0.356) USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.04) USER MOD Single : A 74 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.42) USER MOD Single : B 8 THR OG1 : rot 33:sc= 0.205 USER MOD Single : B 14 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=-0.12) USER MOD Single : B 17 THR OG1 : rot -42:sc= 1.26 USER MOD Single : B 19 SER OG : rot 180:sc= 0.0456 USER MOD Single : B 23 LYS NZ :NH3+ -133:sc= -0.265 (180deg=-1.93!) USER MOD Single : B 26 THR OG1 : rot 180:sc= -0.0222 USER MOD Single : B 30 ASN : amide:sc= 0.315 K(o=0.32,f=-4.2!) USER MOD Single : B 33 SER OG : rot -151:sc= 1.18 USER MOD Single : B 35 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.39) USER MOD Single : B 47 SER OG : rot 129:sc= 1.13 USER MOD Single : B 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0179) USER MOD Single : B 58 THR OG1 : rot -21:sc= 1.19 USER MOD Single : B 61 ASN : amide:sc= -0.0548 K(o=-0.055,f=-5.4!) USER MOD Single : B 65 GLN :FLIP amide:sc= -0.472 F(o=-2.1!,f=-0.47) USER MOD Single : B 66 THR OG1 : rot 61:sc= 1.24 USER MOD Single : B 67 MET CE :methyl -156:sc= -0.139 (180deg=-0.956) USER MOD Single : B 72 LYS NZ :NH3+ -133:sc= 0.941 (180deg=-0.606!) USER MOD Single : B 74 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 126 N THR A 8 12.650 8.484 -16.501 1.00 0.00 N ATOM 127 CA THR A 8 13.758 7.950 -15.733 1.00 0.00 C ATOM 128 C THR A 8 13.405 7.930 -14.252 1.00 0.00 C ATOM 129 O THR A 8 13.136 8.972 -13.652 1.00 0.00 O ATOM 130 CB THR A 8 15.030 8.796 -15.951 1.00 0.00 C ATOM 131 OG1 THR A 8 15.306 8.912 -17.353 1.00 0.00 O ATOM 132 CG2 THR A 8 16.226 8.172 -15.247 1.00 0.00 C ATOM 0 HA THR A 8 13.951 6.933 -16.073 1.00 0.00 H new ATOM 0 HB THR A 8 14.856 9.786 -15.529 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.475 8.802 -17.860 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.110 8.787 -15.416 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.027 8.110 -14.177 1.00 0.00 H new ATOM 0 HG23 THR A 8 16.400 7.171 -15.643 1.00 0.00 H new ATOM 140 N PHE A 9 13.387 6.741 -13.678 1.00 0.00 N ATOM 141 CA PHE A 9 13.040 6.583 -12.282 1.00 0.00 C ATOM 142 C PHE A 9 14.277 6.254 -11.462 1.00 0.00 C ATOM 143 O PHE A 9 15.114 5.449 -11.873 1.00 0.00 O ATOM 144 CB PHE A 9 11.974 5.492 -12.113 1.00 0.00 C ATOM 145 CG PHE A 9 12.417 4.117 -12.534 1.00 0.00 C ATOM 146 CD1 PHE A 9 12.410 3.747 -13.871 1.00 0.00 C ATOM 147 CD2 PHE A 9 12.833 3.190 -11.590 1.00 0.00 C ATOM 148 CE1 PHE A 9 12.812 2.483 -14.256 1.00 0.00 C ATOM 149 CE2 PHE A 9 13.235 1.925 -11.969 1.00 0.00 C ATOM 150 CZ PHE A 9 13.226 1.570 -13.304 1.00 0.00 C ATOM 0 H PHE A 9 13.610 5.870 -14.160 1.00 0.00 H new ATOM 0 HA PHE A 9 12.627 7.524 -11.919 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.670 5.458 -11.067 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.093 5.769 -12.692 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.087 4.455 -14.619 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.843 3.461 -10.545 1.00 0.00 H new ATOM 0 HE1 PHE A 9 12.803 2.208 -15.300 1.00 0.00 H new ATOM 0 HE2 PHE A 9 13.556 1.214 -11.223 1.00 0.00 H new ATOM 0 HZ PHE A 9 13.542 0.581 -13.603 1.00 0.00 H new ATOM 160 N GLU A 10 14.402 6.901 -10.319 1.00 0.00 N ATOM 161 CA GLU A 10 15.503 6.638 -9.412 1.00 0.00 C ATOM 162 C GLU A 10 14.968 6.362 -8.015 1.00 0.00 C ATOM 163 O GLU A 10 14.175 7.139 -7.480 1.00 0.00 O ATOM 164 CB GLU A 10 16.471 7.826 -9.396 1.00 0.00 C ATOM 165 CG GLU A 10 17.605 7.676 -8.398 1.00 0.00 C ATOM 166 CD GLU A 10 18.633 8.779 -8.521 1.00 0.00 C ATOM 167 OE1 GLU A 10 18.254 9.965 -8.465 1.00 0.00 O ATOM 168 OE2 GLU A 10 19.829 8.467 -8.692 1.00 0.00 O ATOM 0 H GLU A 10 13.751 7.616 -9.995 1.00 0.00 H new ATOM 0 HA GLU A 10 16.047 5.758 -9.756 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.891 7.954 -10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.914 8.734 -9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.197 7.674 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.091 6.712 -8.547 1.00 0.00 H new ATOM 175 N ILE A 11 15.372 5.238 -7.442 1.00 0.00 N ATOM 176 CA ILE A 11 14.966 4.883 -6.093 1.00 0.00 C ATOM 177 C ILE A 11 15.854 5.601 -5.087 1.00 0.00 C ATOM 178 O ILE A 11 16.954 5.137 -4.778 1.00 0.00 O ATOM 179 CB ILE A 11 15.054 3.359 -5.858 1.00 0.00 C ATOM 180 CG1 ILE A 11 14.292 2.605 -6.953 1.00 0.00 C ATOM 181 CG2 ILE A 11 14.510 3.002 -4.480 1.00 0.00 C ATOM 182 CD1 ILE A 11 14.432 1.100 -6.867 1.00 0.00 C ATOM 0 H ILE A 11 15.982 4.556 -7.892 1.00 0.00 H new ATOM 0 HA ILE A 11 13.928 5.188 -5.963 1.00 0.00 H new ATOM 0 HB ILE A 11 16.101 3.060 -5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.236 2.867 -6.894 1.00 0.00 H new ATOM 0 HG13 ILE A 11 14.649 2.939 -7.927 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.579 1.925 -4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.094 3.513 -3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.468 3.312 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.866 0.635 -7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.483 0.827 -6.957 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.048 0.753 -5.908 1.00 0.00 H new ATOM 194 N GLU A 12 15.395 6.745 -4.602 1.00 0.00 N ATOM 195 CA GLU A 12 16.191 7.552 -3.689 1.00 0.00 C ATOM 196 C GLU A 12 16.196 6.944 -2.296 1.00 0.00 C ATOM 197 O GLU A 12 17.251 6.742 -1.695 1.00 0.00 O ATOM 198 CB GLU A 12 15.660 8.983 -3.611 1.00 0.00 C ATOM 199 CG GLU A 12 15.492 9.656 -4.960 1.00 0.00 C ATOM 200 CD GLU A 12 15.428 11.165 -4.842 1.00 0.00 C ATOM 201 OE1 GLU A 12 14.713 11.671 -3.948 1.00 0.00 O ATOM 202 OE2 GLU A 12 16.101 11.854 -5.641 1.00 0.00 O ATOM 0 H GLU A 12 14.479 7.135 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 12 17.209 7.573 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.698 8.975 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.340 9.579 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.323 9.379 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.581 9.291 -5.435 1.00 0.00 H new ATOM 209 N GLU A 13 15.013 6.636 -1.791 1.00 0.00 N ATOM 210 CA GLU A 13 14.878 6.151 -0.430 1.00 0.00 C ATOM 211 C GLU A 13 14.095 4.843 -0.400 1.00 0.00 C ATOM 212 O GLU A 13 13.269 4.581 -1.270 1.00 0.00 O ATOM 213 CB GLU A 13 14.191 7.211 0.440 1.00 0.00 C ATOM 214 CG GLU A 13 14.165 6.871 1.923 1.00 0.00 C ATOM 215 CD GLU A 13 15.553 6.662 2.490 1.00 0.00 C ATOM 216 OE1 GLU A 13 16.168 5.618 2.191 1.00 0.00 O ATOM 217 OE2 GLU A 13 16.045 7.549 3.218 1.00 0.00 O ATOM 0 H GLU A 13 14.134 6.713 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 13 15.873 5.959 -0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.702 8.164 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.167 7.346 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.669 7.674 2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.573 5.969 2.076 1.00 0.00 H new ATOM 224 N HIS A 14 14.371 4.025 0.597 1.00 0.00 N ATOM 225 CA HIS A 14 13.677 2.757 0.767 1.00 0.00 C ATOM 226 C HIS A 14 12.935 2.755 2.097 1.00 0.00 C ATOM 227 O HIS A 14 13.463 3.230 3.100 1.00 0.00 O ATOM 228 CB HIS A 14 14.666 1.580 0.706 1.00 0.00 C ATOM 229 CG HIS A 14 15.713 1.602 1.785 1.00 0.00 C ATOM 230 ND1 HIS A 14 15.709 0.737 2.855 1.00 0.00 N ATOM 231 CD2 HIS A 14 16.789 2.407 1.961 1.00 0.00 C ATOM 232 CE1 HIS A 14 16.732 1.012 3.643 1.00 0.00 C ATOM 233 NE2 HIS A 14 17.405 2.019 3.124 1.00 0.00 N ATOM 0 H HIS A 14 15.076 4.216 1.309 1.00 0.00 H new ATOM 0 HA HIS A 14 12.960 2.638 -0.045 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.108 0.646 0.775 1.00 0.00 H new ATOM 0 HB3 HIS A 14 15.160 1.585 -0.265 1.00 0.00 H new ATOM 0 HD2 HIS A 14 17.104 3.206 1.307 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.977 0.497 4.560 1.00 0.00 H new ATOM 0 HE2 HIS A 14 18.245 2.440 3.521 1.00 0.00 H new ATOM 242 N LEU A 15 11.709 2.247 2.108 1.00 0.00 N ATOM 243 CA LEU A 15 10.958 2.159 3.354 1.00 0.00 C ATOM 244 C LEU A 15 11.267 0.840 4.052 1.00 0.00 C ATOM 245 O LEU A 15 11.936 0.819 5.085 1.00 0.00 O ATOM 246 CB LEU A 15 9.442 2.284 3.138 1.00 0.00 C ATOM 247 CG LEU A 15 8.930 3.640 2.630 1.00 0.00 C ATOM 248 CD1 LEU A 15 9.678 4.799 3.259 1.00 0.00 C ATOM 249 CD2 LEU A 15 9.019 3.719 1.130 1.00 0.00 C ATOM 0 H LEU A 15 11.220 1.895 1.284 1.00 0.00 H new ATOM 0 HA LEU A 15 11.269 2.998 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.134 1.516 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.944 2.064 4.082 1.00 0.00 H new ATOM 0 HG LEU A 15 7.884 3.718 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.284 5.739 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.550 4.770 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.738 4.722 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.651 4.688 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.057 3.598 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.414 2.928 0.687 1.00 0.00 H new ATOM 261 N LEU A 16 10.787 -0.257 3.470 1.00 0.00 N ATOM 262 CA LEU A 16 11.017 -1.589 4.019 1.00 0.00 C ATOM 263 C LEU A 16 10.589 -2.662 3.029 1.00 0.00 C ATOM 264 O LEU A 16 9.921 -2.373 2.029 1.00 0.00 O ATOM 265 CB LEU A 16 10.242 -1.798 5.327 1.00 0.00 C ATOM 266 CG LEU A 16 8.716 -1.887 5.183 1.00 0.00 C ATOM 267 CD1 LEU A 16 8.125 -2.720 6.311 1.00 0.00 C ATOM 268 CD2 LEU A 16 8.090 -0.500 5.173 1.00 0.00 C ATOM 0 H LEU A 16 10.233 -0.248 2.613 1.00 0.00 H new ATOM 0 HA LEU A 16 12.086 -1.670 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.599 -2.714 5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.479 -0.977 6.004 1.00 0.00 H new ATOM 0 HG LEU A 16 8.493 -2.371 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.043 -2.774 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.544 -3.726 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.365 -2.258 7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.009 -0.590 5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.324 0.012 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.488 0.073 4.335 1.00 0.00 H new ATOM 280 N THR A 17 10.980 -3.895 3.310 1.00 0.00 N ATOM 281 CA THR A 17 10.509 -5.043 2.563 1.00 0.00 C ATOM 282 C THR A 17 9.394 -5.728 3.351 1.00 0.00 C ATOM 283 O THR A 17 9.552 -5.993 4.544 1.00 0.00 O ATOM 284 CB THR A 17 11.655 -6.041 2.300 1.00 0.00 C ATOM 285 OG1 THR A 17 12.761 -5.364 1.680 1.00 0.00 O ATOM 286 CG2 THR A 17 11.196 -7.188 1.408 1.00 0.00 C ATOM 0 H THR A 17 11.631 -4.124 4.061 1.00 0.00 H new ATOM 0 HA THR A 17 10.130 -4.704 1.599 1.00 0.00 H new ATOM 0 HB THR A 17 11.966 -6.455 3.259 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.486 -6.003 1.517 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.026 -7.874 1.241 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.377 -7.720 1.892 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.856 -6.791 0.452 1.00 0.00 H new ATOM 294 N LEU A 18 8.275 -6.000 2.696 1.00 0.00 N ATOM 295 CA LEU A 18 7.110 -6.546 3.383 1.00 0.00 C ATOM 296 C LEU A 18 7.203 -8.059 3.502 1.00 0.00 C ATOM 297 O LEU A 18 7.095 -8.615 4.595 1.00 0.00 O ATOM 298 CB LEU A 18 5.824 -6.165 2.641 1.00 0.00 C ATOM 299 CG LEU A 18 5.614 -4.667 2.423 1.00 0.00 C ATOM 300 CD1 LEU A 18 4.317 -4.415 1.670 1.00 0.00 C ATOM 301 CD2 LEU A 18 5.621 -3.924 3.753 1.00 0.00 C ATOM 0 H LEU A 18 8.147 -5.853 1.695 1.00 0.00 H new ATOM 0 HA LEU A 18 7.086 -6.120 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.824 -6.660 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.973 -6.557 3.198 1.00 0.00 H new ATOM 0 HG LEU A 18 6.439 -4.288 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.184 -3.343 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.357 -4.911 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.480 -4.810 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.470 -2.859 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.819 -4.304 4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.579 -4.077 4.250 1.00 0.00 H new ATOM 313 N SER A 19 7.406 -8.723 2.378 1.00 0.00 N ATOM 314 CA SER A 19 7.416 -10.170 2.358 1.00 0.00 C ATOM 315 C SER A 19 8.128 -10.707 1.125 1.00 0.00 C ATOM 316 O SER A 19 8.194 -10.044 0.087 1.00 0.00 O ATOM 317 CB SER A 19 5.978 -10.688 2.393 1.00 0.00 C ATOM 318 OG SER A 19 5.196 -10.059 1.391 1.00 0.00 O ATOM 0 H SER A 19 7.565 -8.283 1.472 1.00 0.00 H new ATOM 0 HA SER A 19 7.960 -10.520 3.235 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.971 -11.768 2.243 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.542 -10.500 3.374 1.00 0.00 H new ATOM 0 HG SER A 19 4.463 -10.654 1.127 1.00 0.00 H new ATOM 324 N GLU A 20 8.669 -11.907 1.255 1.00 0.00 N ATOM 325 CA GLU A 20 9.241 -12.624 0.132 1.00 0.00 C ATOM 326 C GLU A 20 8.547 -13.972 0.008 1.00 0.00 C ATOM 327 O GLU A 20 8.662 -14.818 0.896 1.00 0.00 O ATOM 328 CB GLU A 20 10.742 -12.832 0.325 1.00 0.00 C ATOM 329 CG GLU A 20 11.407 -13.553 -0.838 1.00 0.00 C ATOM 330 CD GLU A 20 12.793 -14.051 -0.497 1.00 0.00 C ATOM 331 OE1 GLU A 20 13.766 -13.298 -0.692 1.00 0.00 O ATOM 332 OE2 GLU A 20 12.911 -15.204 -0.027 1.00 0.00 O ATOM 0 H GLU A 20 8.723 -12.409 2.141 1.00 0.00 H new ATOM 0 HA GLU A 20 9.095 -12.039 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.221 -11.863 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.908 -13.402 1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.786 -14.396 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.467 -12.879 -1.692 1.00 0.00 H new ATOM 339 N ASN A 21 7.815 -14.164 -1.073 1.00 0.00 N ATOM 340 CA ASN A 21 7.082 -15.400 -1.280 1.00 0.00 C ATOM 341 C ASN A 21 7.719 -16.197 -2.407 1.00 0.00 C ATOM 342 O ASN A 21 8.179 -15.622 -3.398 1.00 0.00 O ATOM 343 CB ASN A 21 5.614 -15.103 -1.607 1.00 0.00 C ATOM 344 CG ASN A 21 4.741 -16.347 -1.563 1.00 0.00 C ATOM 345 OD1 ASN A 21 4.996 -17.268 -0.790 1.00 0.00 O ATOM 346 ND2 ASN A 21 3.707 -16.386 -2.390 1.00 0.00 N ATOM 0 H ASN A 21 7.712 -13.480 -1.822 1.00 0.00 H new ATOM 0 HA ASN A 21 7.120 -15.988 -0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.229 -14.369 -0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.550 -14.654 -2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.092 -17.199 -2.399 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.526 -15.603 -3.018 1.00 0.00 H new ATOM 353 N GLU A 22 7.777 -17.515 -2.234 1.00 0.00 N ATOM 354 CA GLU A 22 8.300 -18.418 -3.260 1.00 0.00 C ATOM 355 C GLU A 22 9.778 -18.145 -3.526 1.00 0.00 C ATOM 356 O GLU A 22 10.283 -18.460 -4.604 1.00 0.00 O ATOM 357 CB GLU A 22 7.502 -18.262 -4.562 1.00 0.00 C ATOM 358 CG GLU A 22 6.006 -18.473 -4.396 1.00 0.00 C ATOM 359 CD GLU A 22 5.241 -18.239 -5.683 1.00 0.00 C ATOM 360 OE1 GLU A 22 5.331 -19.086 -6.593 1.00 0.00 O ATOM 361 OE2 GLU A 22 4.541 -17.207 -5.793 1.00 0.00 O ATOM 0 H GLU A 22 7.465 -17.987 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 22 8.196 -19.440 -2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.676 -17.265 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.880 -18.974 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.822 -19.489 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.630 -17.799 -3.626 1.00 0.00 H new ATOM 368 N LYS A 23 10.453 -17.561 -2.523 1.00 0.00 N ATOM 369 CA LYS A 23 11.875 -17.164 -2.594 1.00 0.00 C ATOM 370 C LYS A 23 12.214 -16.420 -3.891 1.00 0.00 C ATOM 371 O LYS A 23 13.361 -16.423 -4.345 1.00 0.00 O ATOM 372 CB LYS A 23 12.819 -18.366 -2.390 1.00 0.00 C ATOM 373 CG LYS A 23 12.792 -19.408 -3.501 1.00 0.00 C ATOM 374 CD LYS A 23 13.888 -20.448 -3.322 1.00 0.00 C ATOM 375 CE LYS A 23 13.877 -21.475 -4.446 1.00 0.00 C ATOM 376 NZ LYS A 23 14.006 -20.840 -5.787 1.00 0.00 N ATOM 0 H LYS A 23 10.022 -17.346 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 23 12.034 -16.468 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.838 -17.994 -2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.562 -18.854 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.820 -19.902 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.912 -18.915 -4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.858 -19.953 -3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.757 -20.954 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.695 -22.181 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.950 -22.048 -4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.248 -21.565 -6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.104 -20.391 -6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.756 -20.120 -5.759 1.00 0.00 H new ATOM 390 N GLY A 24 11.224 -15.742 -4.453 1.00 0.00 N ATOM 391 CA GLY A 24 11.430 -15.012 -5.687 1.00 0.00 C ATOM 392 C GLY A 24 10.517 -13.810 -5.794 1.00 0.00 C ATOM 393 O GLY A 24 10.962 -12.708 -6.113 1.00 0.00 O ATOM 0 H GLY A 24 10.278 -15.684 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.468 -14.685 -5.746 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.256 -15.676 -6.534 1.00 0.00 H new ATOM 397 N TRP A 25 9.239 -14.022 -5.514 1.00 0.00 N ATOM 398 CA TRP A 25 8.262 -12.947 -5.545 1.00 0.00 C ATOM 399 C TRP A 25 8.387 -12.094 -4.293 1.00 0.00 C ATOM 400 O TRP A 25 7.953 -12.491 -3.209 1.00 0.00 O ATOM 401 CB TRP A 25 6.841 -13.510 -5.658 1.00 0.00 C ATOM 402 CG TRP A 25 6.558 -14.179 -6.971 1.00 0.00 C ATOM 403 CD1 TRP A 25 7.050 -15.374 -7.409 1.00 0.00 C ATOM 404 CD2 TRP A 25 5.708 -13.689 -8.012 1.00 0.00 C ATOM 405 NE1 TRP A 25 6.567 -15.652 -8.665 1.00 0.00 N ATOM 406 CE2 TRP A 25 5.735 -14.635 -9.055 1.00 0.00 C ATOM 407 CE3 TRP A 25 4.922 -12.543 -8.164 1.00 0.00 C ATOM 408 CZ2 TRP A 25 5.010 -14.465 -10.234 1.00 0.00 C ATOM 409 CZ3 TRP A 25 4.204 -12.376 -9.332 1.00 0.00 C ATOM 410 CH2 TRP A 25 4.249 -13.333 -10.352 1.00 0.00 C ATOM 0 H TRP A 25 8.855 -14.933 -5.262 1.00 0.00 H new ATOM 0 HA TRP A 25 8.458 -12.327 -6.420 1.00 0.00 H new ATOM 0 HB2 TRP A 25 6.679 -14.227 -4.853 1.00 0.00 H new ATOM 0 HB3 TRP A 25 6.126 -12.700 -5.512 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.721 -16.009 -6.850 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.791 -16.480 -9.217 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.877 -11.800 -7.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.047 -15.199 -11.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 3.597 -11.492 -9.460 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.671 -13.175 -11.251 1.00 0.00 H new ATOM 421 N THR A 26 9.000 -10.935 -4.435 1.00 0.00 N ATOM 422 CA THR A 26 9.217 -10.056 -3.305 1.00 0.00 C ATOM 423 C THR A 26 8.268 -8.870 -3.369 1.00 0.00 C ATOM 424 O THR A 26 8.040 -8.300 -4.437 1.00 0.00 O ATOM 425 CB THR A 26 10.672 -9.558 -3.264 1.00 0.00 C ATOM 426 OG1 THR A 26 11.573 -10.671 -3.363 1.00 0.00 O ATOM 427 CG2 THR A 26 10.953 -8.795 -1.979 1.00 0.00 C ATOM 0 H THR A 26 9.356 -10.581 -5.323 1.00 0.00 H new ATOM 0 HA THR A 26 9.021 -10.624 -2.395 1.00 0.00 H new ATOM 0 HB THR A 26 10.822 -8.885 -4.108 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.302 -10.448 -3.979 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.989 -8.455 -1.977 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.288 -7.934 -1.914 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.784 -9.449 -1.123 1.00 0.00 H new ATOM 435 N LYS A 27 7.717 -8.509 -2.225 1.00 0.00 N ATOM 436 CA LYS A 27 6.802 -7.391 -2.136 1.00 0.00 C ATOM 437 C LYS A 27 7.332 -6.389 -1.121 1.00 0.00 C ATOM 438 O LYS A 27 7.489 -6.710 0.057 1.00 0.00 O ATOM 439 CB LYS A 27 5.406 -7.894 -1.759 1.00 0.00 C ATOM 440 CG LYS A 27 4.328 -6.824 -1.793 1.00 0.00 C ATOM 441 CD LYS A 27 2.938 -7.442 -1.879 1.00 0.00 C ATOM 442 CE LYS A 27 2.664 -8.392 -0.725 1.00 0.00 C ATOM 443 NZ LYS A 27 1.319 -9.022 -0.827 1.00 0.00 N ATOM 0 H LYS A 27 7.891 -8.981 -1.337 1.00 0.00 H new ATOM 0 HA LYS A 27 6.724 -6.890 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.126 -8.698 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.445 -8.323 -0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.399 -6.205 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.490 -6.168 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.189 -6.650 -1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.838 -7.979 -2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.428 -9.169 -0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.739 -7.849 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.944 -9.196 0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.676 -8.387 -1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.396 -9.924 -1.338 1.00 0.00 H new ATOM 457 N GLU A 28 7.632 -5.187 -1.584 1.00 0.00 N ATOM 458 CA GLU A 28 8.274 -4.186 -0.748 1.00 0.00 C ATOM 459 C GLU A 28 7.775 -2.786 -1.086 1.00 0.00 C ATOM 460 O GLU A 28 7.078 -2.590 -2.081 1.00 0.00 O ATOM 461 CB GLU A 28 9.789 -4.265 -0.931 1.00 0.00 C ATOM 462 CG GLU A 28 10.240 -4.068 -2.368 1.00 0.00 C ATOM 463 CD GLU A 28 11.717 -4.340 -2.551 1.00 0.00 C ATOM 464 OE1 GLU A 28 12.538 -3.526 -2.085 1.00 0.00 O ATOM 465 OE2 GLU A 28 12.065 -5.368 -3.169 1.00 0.00 O ATOM 0 H GLU A 28 7.441 -4.880 -2.538 1.00 0.00 H new ATOM 0 HA GLU A 28 8.021 -4.388 0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.262 -3.509 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.139 -5.236 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.668 -4.729 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.020 -3.046 -2.678 1.00 0.00 H new ATOM 472 N ILE A 29 8.135 -1.818 -0.252 1.00 0.00 N ATOM 473 CA ILE A 29 7.729 -0.434 -0.463 1.00 0.00 C ATOM 474 C ILE A 29 8.954 0.476 -0.447 1.00 0.00 C ATOM 475 O ILE A 29 9.809 0.369 0.438 1.00 0.00 O ATOM 476 CB ILE A 29 6.716 0.034 0.610 1.00 0.00 C ATOM 477 CG1 ILE A 29 5.520 -0.922 0.655 1.00 0.00 C ATOM 478 CG2 ILE A 29 6.248 1.456 0.322 1.00 0.00 C ATOM 479 CD1 ILE A 29 4.484 -0.562 1.697 1.00 0.00 C ATOM 0 H ILE A 29 8.708 -1.966 0.578 1.00 0.00 H new ATOM 0 HA ILE A 29 7.240 -0.376 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 29 7.210 0.027 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.044 -0.938 -0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.882 -1.931 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.537 1.767 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.105 2.129 0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.767 1.490 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.670 -1.286 1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.943 -0.574 2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.092 0.434 1.491 1.00 0.00 H new ATOM 491 N ASN A 30 9.041 1.368 -1.424 1.00 0.00 N ATOM 492 CA ASN A 30 10.218 2.220 -1.577 1.00 0.00 C ATOM 493 C ASN A 30 9.833 3.571 -2.164 1.00 0.00 C ATOM 494 O ASN A 30 8.706 3.759 -2.593 1.00 0.00 O ATOM 495 CB ASN A 30 11.282 1.535 -2.450 1.00 0.00 C ATOM 496 CG ASN A 30 10.881 1.350 -3.916 1.00 0.00 C ATOM 497 OD1 ASN A 30 9.598 1.150 -4.192 1.00 0.00 O flip ATOM 498 ND2 ASN A 30 11.735 1.366 -4.798 1.00 0.00 N flip ATOM 0 H ASN A 30 8.314 1.522 -2.122 1.00 0.00 H new ATOM 0 HA ASN A 30 10.645 2.385 -0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.199 2.122 -2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.509 0.558 -2.023 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.714 1.522 -4.557 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.466 1.223 -5.771 1.00 0.00 H new ATOM 505 N ARG A 31 10.761 4.511 -2.154 1.00 0.00 N ATOM 506 CA ARG A 31 10.502 5.841 -2.682 1.00 0.00 C ATOM 507 C ARG A 31 11.241 6.050 -3.996 1.00 0.00 C ATOM 508 O ARG A 31 12.473 6.059 -4.031 1.00 0.00 O ATOM 509 CB ARG A 31 10.913 6.914 -1.675 1.00 0.00 C ATOM 510 CG ARG A 31 9.924 7.089 -0.538 1.00 0.00 C ATOM 511 CD ARG A 31 10.406 8.130 0.460 1.00 0.00 C ATOM 512 NE ARG A 31 10.722 9.409 -0.177 1.00 0.00 N ATOM 513 CZ ARG A 31 11.452 10.360 0.405 1.00 0.00 C ATOM 514 NH1 ARG A 31 11.870 10.204 1.657 1.00 0.00 N ATOM 515 NH2 ARG A 31 11.756 11.471 -0.254 1.00 0.00 N ATOM 0 H ARG A 31 11.703 4.379 -1.786 1.00 0.00 H new ATOM 0 HA ARG A 31 9.431 5.927 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 31 11.888 6.658 -1.261 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.027 7.865 -2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.955 7.388 -0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.778 6.136 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.639 8.285 1.219 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.291 7.755 0.974 1.00 0.00 H new ATOM 0 HE ARG A 31 10.364 9.582 -1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.632 9.356 2.172 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.429 10.932 2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.431 11.601 -1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.315 12.195 0.197 1.00 0.00 H new ATOM 529 N VAL A 32 10.486 6.236 -5.070 1.00 0.00 N ATOM 530 CA VAL A 32 11.073 6.362 -6.397 1.00 0.00 C ATOM 531 C VAL A 32 10.675 7.685 -7.046 1.00 0.00 C ATOM 532 O VAL A 32 9.514 8.097 -6.983 1.00 0.00 O ATOM 533 CB VAL A 32 10.635 5.204 -7.320 1.00 0.00 C ATOM 534 CG1 VAL A 32 11.441 5.202 -8.611 1.00 0.00 C ATOM 535 CG2 VAL A 32 10.758 3.865 -6.611 1.00 0.00 C ATOM 0 H VAL A 32 9.468 6.303 -5.049 1.00 0.00 H new ATOM 0 HA VAL A 32 12.155 6.327 -6.269 1.00 0.00 H new ATOM 0 HB VAL A 32 9.586 5.359 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.113 4.377 -9.243 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.289 6.145 -9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.499 5.083 -8.379 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.443 3.067 -7.283 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.795 3.703 -6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.124 3.863 -5.724 1.00 0.00 H new ATOM 545 N SER A 33 11.648 8.347 -7.652 1.00 0.00 N ATOM 546 CA SER A 33 11.396 9.575 -8.386 1.00 0.00 C ATOM 547 C SER A 33 11.247 9.277 -9.877 1.00 0.00 C ATOM 548 O SER A 33 12.231 9.005 -10.565 1.00 0.00 O ATOM 549 CB SER A 33 12.541 10.562 -8.160 1.00 0.00 C ATOM 550 OG SER A 33 12.775 10.756 -6.776 1.00 0.00 O ATOM 0 H SER A 33 12.624 8.052 -7.649 1.00 0.00 H new ATOM 0 HA SER A 33 10.469 10.019 -8.023 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.447 10.189 -8.637 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.302 11.516 -8.630 1.00 0.00 H new ATOM 0 HG SER A 33 12.757 11.714 -6.572 1.00 0.00 H new ATOM 556 N PHE A 34 10.015 9.301 -10.367 1.00 0.00 N ATOM 557 CA PHE A 34 9.749 9.036 -11.777 1.00 0.00 C ATOM 558 C PHE A 34 9.795 10.329 -12.584 1.00 0.00 C ATOM 559 O PHE A 34 8.794 11.041 -12.676 1.00 0.00 O ATOM 560 CB PHE A 34 8.380 8.369 -11.957 1.00 0.00 C ATOM 561 CG PHE A 34 8.273 7.001 -11.341 1.00 0.00 C ATOM 562 CD1 PHE A 34 7.910 6.850 -10.013 1.00 0.00 C ATOM 563 CD2 PHE A 34 8.528 5.869 -12.095 1.00 0.00 C ATOM 564 CE1 PHE A 34 7.807 5.594 -9.446 1.00 0.00 C ATOM 565 CE2 PHE A 34 8.427 4.610 -11.535 1.00 0.00 C ATOM 566 CZ PHE A 34 8.065 4.472 -10.209 1.00 0.00 C ATOM 0 H PHE A 34 9.184 9.501 -9.811 1.00 0.00 H new ATOM 0 HA PHE A 34 10.523 8.360 -12.141 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.615 9.012 -11.521 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.163 8.293 -13.022 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.705 7.724 -9.413 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.809 5.971 -13.133 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.525 5.490 -8.409 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.631 3.734 -12.133 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.984 3.489 -9.770 1.00 0.00 H new ATOM 576 N ASN A 35 10.973 10.639 -13.134 1.00 0.00 N ATOM 577 CA ASN A 35 11.177 11.849 -13.945 1.00 0.00 C ATOM 578 C ASN A 35 10.906 13.111 -13.113 1.00 0.00 C ATOM 579 O ASN A 35 10.696 14.199 -13.641 1.00 0.00 O ATOM 580 CB ASN A 35 10.284 11.806 -15.200 1.00 0.00 C ATOM 581 CG ASN A 35 10.616 12.886 -16.225 1.00 0.00 C ATOM 582 OD1 ASN A 35 10.019 13.963 -16.235 1.00 0.00 O ATOM 583 ND2 ASN A 35 11.565 12.601 -17.102 1.00 0.00 N ATOM 0 H ASN A 35 11.809 10.064 -13.032 1.00 0.00 H new ATOM 0 HA ASN A 35 12.217 11.882 -14.269 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.381 10.828 -15.671 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.242 11.912 -14.898 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.822 13.284 -17.815 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.039 11.699 -17.065 1.00 0.00 H new ATOM 590 N GLY A 36 10.948 12.958 -11.800 1.00 0.00 N ATOM 591 CA GLY A 36 10.679 14.069 -10.915 1.00 0.00 C ATOM 592 C GLY A 36 11.677 14.138 -9.788 1.00 0.00 C ATOM 593 O GLY A 36 12.519 13.252 -9.647 1.00 0.00 O ATOM 0 H GLY A 36 11.165 12.079 -11.330 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.705 15.000 -11.481 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.674 13.973 -10.505 1.00 0.00 H new ATOM 597 N ALA A 37 11.602 15.198 -9.002 1.00 0.00 N ATOM 598 CA ALA A 37 12.476 15.360 -7.849 1.00 0.00 C ATOM 599 C ALA A 37 11.971 14.574 -6.632 1.00 0.00 C ATOM 600 O ALA A 37 12.728 13.801 -6.046 1.00 0.00 O ATOM 601 CB ALA A 37 12.655 16.836 -7.510 1.00 0.00 C ATOM 0 H ALA A 37 10.942 15.963 -9.141 1.00 0.00 H new ATOM 0 HA ALA A 37 13.449 14.948 -8.117 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.312 16.934 -6.645 1.00 0.00 H new ATOM 0 HB2 ALA A 37 13.097 17.354 -8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.685 17.277 -7.280 1.00 0.00 H new ATOM 607 N PRO A 38 10.695 14.750 -6.228 1.00 0.00 N ATOM 608 CA PRO A 38 10.142 14.065 -5.055 1.00 0.00 C ATOM 609 C PRO A 38 9.910 12.575 -5.293 1.00 0.00 C ATOM 610 O PRO A 38 9.113 12.183 -6.150 1.00 0.00 O ATOM 611 CB PRO A 38 8.812 14.779 -4.815 1.00 0.00 C ATOM 612 CG PRO A 38 8.413 15.293 -6.153 1.00 0.00 C ATOM 613 CD PRO A 38 9.694 15.621 -6.871 1.00 0.00 C ATOM 0 HA PRO A 38 10.826 14.109 -4.208 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.063 14.097 -4.413 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.922 15.590 -4.096 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.838 14.547 -6.702 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.781 16.176 -6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.616 15.419 -7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.953 16.674 -6.764 1.00 0.00 H new ATOM 621 N ALA A 39 10.615 11.752 -4.536 1.00 0.00 N ATOM 622 CA ALA A 39 10.446 10.313 -4.608 1.00 0.00 C ATOM 623 C ALA A 39 9.205 9.892 -3.837 1.00 0.00 C ATOM 624 O ALA A 39 9.189 9.942 -2.602 1.00 0.00 O ATOM 625 CB ALA A 39 11.677 9.611 -4.056 1.00 0.00 C ATOM 0 H ALA A 39 11.314 12.060 -3.860 1.00 0.00 H new ATOM 0 HA ALA A 39 10.321 10.025 -5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.538 8.532 -4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.552 9.897 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.825 9.901 -3.016 1.00 0.00 H new ATOM 631 N LYS A 40 8.168 9.484 -4.559 1.00 0.00 N ATOM 632 CA LYS A 40 6.915 9.093 -3.925 1.00 0.00 C ATOM 633 C LYS A 40 6.977 7.643 -3.471 1.00 0.00 C ATOM 634 O LYS A 40 7.904 6.913 -3.819 1.00 0.00 O ATOM 635 CB LYS A 40 5.716 9.301 -4.859 1.00 0.00 C ATOM 636 CG LYS A 40 5.520 10.746 -5.298 1.00 0.00 C ATOM 637 CD LYS A 40 4.047 11.097 -5.475 1.00 0.00 C ATOM 638 CE LYS A 40 3.342 10.173 -6.454 1.00 0.00 C ATOM 639 NZ LYS A 40 1.929 10.580 -6.691 1.00 0.00 N ATOM 0 H LYS A 40 8.169 9.416 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 40 6.776 9.735 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.844 8.677 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.812 8.959 -4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.965 11.412 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.048 10.914 -6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.546 11.047 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.962 12.126 -5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.881 10.170 -7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.365 9.153 -6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.457 9.867 -7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.433 10.657 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.909 11.500 -7.175 1.00 0.00 H new ATOM 653 N PHE A 41 5.984 7.230 -2.702 1.00 0.00 N ATOM 654 CA PHE A 41 5.981 5.904 -2.113 1.00 0.00 C ATOM 655 C PHE A 41 5.390 4.888 -3.085 1.00 0.00 C ATOM 656 O PHE A 41 4.210 4.946 -3.417 1.00 0.00 O ATOM 657 CB PHE A 41 5.185 5.922 -0.814 1.00 0.00 C ATOM 658 CG PHE A 41 5.675 6.942 0.175 1.00 0.00 C ATOM 659 CD1 PHE A 41 6.661 6.617 1.091 1.00 0.00 C ATOM 660 CD2 PHE A 41 5.144 8.222 0.190 1.00 0.00 C ATOM 661 CE1 PHE A 41 7.110 7.554 2.003 1.00 0.00 C ATOM 662 CE2 PHE A 41 5.587 9.160 1.099 1.00 0.00 C ATOM 663 CZ PHE A 41 6.573 8.826 2.007 1.00 0.00 C ATOM 0 H PHE A 41 5.168 7.796 -2.471 1.00 0.00 H new ATOM 0 HA PHE A 41 7.008 5.610 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.138 6.122 -1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.229 4.934 -0.357 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.083 5.623 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.374 8.488 -0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.881 7.291 2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.164 10.154 1.101 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.923 9.559 2.719 1.00 0.00 H new ATOM 673 N ASP A 42 6.220 3.970 -3.532 1.00 0.00 N ATOM 674 CA ASP A 42 5.815 2.943 -4.478 1.00 0.00 C ATOM 675 C ASP A 42 5.768 1.583 -3.801 1.00 0.00 C ATOM 676 O ASP A 42 6.754 1.141 -3.198 1.00 0.00 O ATOM 677 CB ASP A 42 6.787 2.911 -5.665 1.00 0.00 C ATOM 678 CG ASP A 42 6.638 1.668 -6.521 1.00 0.00 C ATOM 679 OD1 ASP A 42 5.575 1.494 -7.147 1.00 0.00 O ATOM 680 OD2 ASP A 42 7.595 0.864 -6.573 1.00 0.00 O ATOM 0 H ASP A 42 7.199 3.912 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 42 4.816 3.180 -4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.624 3.793 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.809 2.968 -5.292 1.00 0.00 H new ATOM 685 N ILE A 43 4.613 0.940 -3.873 1.00 0.00 N ATOM 686 CA ILE A 43 4.443 -0.400 -3.335 1.00 0.00 C ATOM 687 C ILE A 43 4.527 -1.402 -4.475 1.00 0.00 C ATOM 688 O ILE A 43 3.641 -1.457 -5.327 1.00 0.00 O ATOM 689 CB ILE A 43 3.088 -0.555 -2.610 1.00 0.00 C ATOM 690 CG1 ILE A 43 2.879 0.596 -1.620 1.00 0.00 C ATOM 691 CG2 ILE A 43 3.023 -1.898 -1.890 1.00 0.00 C ATOM 692 CD1 ILE A 43 1.543 0.558 -0.910 1.00 0.00 C ATOM 0 H ILE A 43 3.773 1.329 -4.302 1.00 0.00 H new ATOM 0 HA ILE A 43 5.233 -0.582 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 43 2.290 -0.522 -3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.676 0.572 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.969 1.542 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.063 -1.993 -1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.133 -2.705 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.827 -1.957 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.470 1.404 -0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.739 0.614 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.456 -0.371 -0.347 1.00 0.00 H new ATOM 704 N ARG A 44 5.591 -2.186 -4.490 1.00 0.00 N ATOM 705 CA ARG A 44 5.887 -3.034 -5.635 1.00 0.00 C ATOM 706 C ARG A 44 6.078 -4.491 -5.231 1.00 0.00 C ATOM 707 O ARG A 44 6.787 -4.801 -4.272 1.00 0.00 O ATOM 708 CB ARG A 44 7.142 -2.514 -6.344 1.00 0.00 C ATOM 709 CG ARG A 44 8.323 -2.316 -5.404 1.00 0.00 C ATOM 710 CD ARG A 44 9.502 -1.657 -6.095 1.00 0.00 C ATOM 711 NE ARG A 44 10.104 -2.508 -7.119 1.00 0.00 N ATOM 712 CZ ARG A 44 11.319 -3.045 -7.016 1.00 0.00 C ATOM 713 NH1 ARG A 44 12.024 -2.886 -5.901 1.00 0.00 N ATOM 714 NH2 ARG A 44 11.823 -3.749 -8.023 1.00 0.00 N ATOM 0 H ARG A 44 6.263 -2.254 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 44 5.034 -2.995 -6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.425 -3.215 -7.129 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.910 -1.567 -6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.012 -1.704 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.632 -3.281 -5.004 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.175 -0.723 -6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.257 -1.401 -5.351 1.00 0.00 H new ATOM 0 HE ARG A 44 9.563 -2.702 -7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.635 -2.353 -5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.954 -3.297 -5.823 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.280 -3.879 -8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.753 -4.160 -7.943 1.00 0.00 H new ATOM 728 N ALA A 45 5.417 -5.374 -5.959 1.00 0.00 N ATOM 729 CA ALA A 45 5.625 -6.806 -5.821 1.00 0.00 C ATOM 730 C ALA A 45 6.198 -7.361 -7.117 1.00 0.00 C ATOM 731 O ALA A 45 5.497 -7.454 -8.123 1.00 0.00 O ATOM 732 CB ALA A 45 4.323 -7.509 -5.464 1.00 0.00 C ATOM 0 H ALA A 45 4.722 -5.120 -6.661 1.00 0.00 H new ATOM 0 HA ALA A 45 6.332 -6.986 -5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.503 -8.580 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.945 -7.116 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.588 -7.335 -6.250 1.00 0.00 H new ATOM 738 N TRP A 46 7.472 -7.713 -7.101 1.00 0.00 N ATOM 739 CA TRP A 46 8.149 -8.132 -8.315 1.00 0.00 C ATOM 740 C TRP A 46 8.443 -9.627 -8.310 1.00 0.00 C ATOM 741 O TRP A 46 8.712 -10.223 -7.265 1.00 0.00 O ATOM 742 CB TRP A 46 9.433 -7.320 -8.529 1.00 0.00 C ATOM 743 CG TRP A 46 10.363 -7.290 -7.344 1.00 0.00 C ATOM 744 CD1 TRP A 46 10.312 -6.424 -6.286 1.00 0.00 C ATOM 745 CD2 TRP A 46 11.487 -8.146 -7.105 1.00 0.00 C ATOM 746 NE1 TRP A 46 11.334 -6.690 -5.411 1.00 0.00 N ATOM 747 CE2 TRP A 46 12.069 -7.741 -5.889 1.00 0.00 C ATOM 748 CE3 TRP A 46 12.059 -9.213 -7.801 1.00 0.00 C ATOM 749 CZ2 TRP A 46 13.192 -8.367 -5.353 1.00 0.00 C ATOM 750 CZ3 TRP A 46 13.172 -9.835 -7.269 1.00 0.00 C ATOM 751 CH2 TRP A 46 13.729 -9.409 -6.057 1.00 0.00 C ATOM 0 H TRP A 46 8.056 -7.717 -6.265 1.00 0.00 H new ATOM 0 HA TRP A 46 7.476 -7.937 -9.150 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.969 -7.732 -9.384 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.161 -6.296 -8.786 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.575 -5.645 -6.159 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.517 -6.186 -4.543 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.639 -9.546 -8.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.622 -8.042 -4.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 13.620 -10.664 -7.797 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.601 -9.914 -5.670 1.00 0.00 H new ATOM 762 N SER A 47 8.365 -10.221 -9.490 1.00 0.00 N ATOM 763 CA SER A 47 8.621 -11.637 -9.671 1.00 0.00 C ATOM 764 C SER A 47 10.103 -11.892 -9.948 1.00 0.00 C ATOM 765 O SER A 47 10.833 -10.970 -10.314 1.00 0.00 O ATOM 766 CB SER A 47 7.761 -12.144 -10.828 1.00 0.00 C ATOM 767 OG SER A 47 7.693 -11.179 -11.868 1.00 0.00 O ATOM 0 H SER A 47 8.121 -9.731 -10.351 1.00 0.00 H new ATOM 0 HA SER A 47 8.363 -12.173 -8.758 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.177 -13.074 -11.216 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.757 -12.369 -10.469 1.00 0.00 H new ATOM 0 HG SER A 47 7.139 -11.524 -12.599 1.00 0.00 H new ATOM 877 N LYS A 55 1.993 -6.798 -8.963 1.00 0.00 N ATOM 878 CA LYS A 55 1.177 -5.665 -8.554 1.00 0.00 C ATOM 879 C LYS A 55 2.048 -4.532 -8.025 1.00 0.00 C ATOM 880 O LYS A 55 2.982 -4.760 -7.259 1.00 0.00 O ATOM 881 CB LYS A 55 0.160 -6.090 -7.493 1.00 0.00 C ATOM 882 CG LYS A 55 -0.843 -7.118 -7.991 1.00 0.00 C ATOM 883 CD LYS A 55 -1.891 -7.431 -6.938 1.00 0.00 C ATOM 884 CE LYS A 55 -2.905 -8.450 -7.436 1.00 0.00 C ATOM 885 NZ LYS A 55 -3.575 -8.009 -8.690 1.00 0.00 N ATOM 0 HA LYS A 55 0.638 -5.304 -9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.692 -6.500 -6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.378 -5.209 -7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.331 -6.745 -8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.320 -8.033 -8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.403 -7.812 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.407 -6.514 -6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.405 -9.403 -7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.656 -8.619 -6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.411 -8.603 -8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.869 -7.016 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.914 -8.100 -9.487 1.00 0.00 H new ATOM 899 N GLY A 56 1.738 -3.318 -8.452 1.00 0.00 N ATOM 900 CA GLY A 56 2.487 -2.158 -8.020 1.00 0.00 C ATOM 901 C GLY A 56 1.667 -0.892 -8.143 1.00 0.00 C ATOM 902 O GLY A 56 0.805 -0.793 -9.021 1.00 0.00 O ATOM 0 H GLY A 56 0.974 -3.115 -9.096 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.800 -2.291 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.394 -2.065 -8.618 1.00 0.00 H new ATOM 906 N ILE A 57 1.921 0.072 -7.270 1.00 0.00 N ATOM 907 CA ILE A 57 1.187 1.329 -7.287 1.00 0.00 C ATOM 908 C ILE A 57 1.943 2.407 -6.509 1.00 0.00 C ATOM 909 O ILE A 57 2.489 2.144 -5.435 1.00 0.00 O ATOM 910 CB ILE A 57 -0.245 1.159 -6.712 1.00 0.00 C ATOM 911 CG1 ILE A 57 -1.017 2.483 -6.780 1.00 0.00 C ATOM 912 CG2 ILE A 57 -0.199 0.634 -5.280 1.00 0.00 C ATOM 913 CD1 ILE A 57 -2.446 2.383 -6.291 1.00 0.00 C ATOM 0 H ILE A 57 2.631 0.008 -6.540 1.00 0.00 H new ATOM 0 HA ILE A 57 1.098 1.642 -8.327 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.770 0.425 -7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.491 3.230 -6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.019 2.839 -7.810 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.215 0.524 -4.900 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.302 -0.334 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.349 1.337 -4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.927 3.358 -6.370 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.989 1.661 -6.900 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.453 2.058 -5.251 1.00 0.00 H new ATOM 925 N THR A 58 1.988 3.611 -7.062 1.00 0.00 N ATOM 926 CA THR A 58 2.666 4.717 -6.412 1.00 0.00 C ATOM 927 C THR A 58 1.667 5.604 -5.672 1.00 0.00 C ATOM 928 O THR A 58 0.725 6.133 -6.265 1.00 0.00 O ATOM 929 CB THR A 58 3.471 5.565 -7.422 1.00 0.00 C ATOM 930 OG1 THR A 58 2.624 6.036 -8.485 1.00 0.00 O ATOM 931 CG2 THR A 58 4.611 4.753 -8.008 1.00 0.00 C ATOM 0 H THR A 58 1.562 3.844 -7.959 1.00 0.00 H new ATOM 0 HA THR A 58 3.365 4.289 -5.693 1.00 0.00 H new ATOM 0 HB THR A 58 3.878 6.423 -6.887 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.744 6.269 -8.123 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.167 5.366 -8.717 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.277 4.430 -7.208 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.209 3.879 -8.521 1.00 0.00 H new ATOM 939 N LEU A 59 1.872 5.747 -4.375 1.00 0.00 N ATOM 940 CA LEU A 59 1.005 6.565 -3.544 1.00 0.00 C ATOM 941 C LEU A 59 1.667 7.904 -3.261 1.00 0.00 C ATOM 942 O LEU A 59 2.893 7.997 -3.162 1.00 0.00 O ATOM 943 CB LEU A 59 0.693 5.845 -2.229 1.00 0.00 C ATOM 944 CG LEU A 59 -0.008 4.490 -2.374 1.00 0.00 C ATOM 945 CD1 LEU A 59 -0.209 3.844 -1.013 1.00 0.00 C ATOM 946 CD2 LEU A 59 -1.343 4.651 -3.090 1.00 0.00 C ATOM 0 H LEU A 59 2.639 5.303 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 59 0.070 6.737 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.626 5.696 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.068 6.495 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 59 0.628 3.839 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.708 2.883 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.759 3.691 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.822 4.494 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.825 3.678 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.985 5.321 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.175 5.070 -4.082 1.00 0.00 H new ATOM 958 N SER A 60 0.861 8.944 -3.153 1.00 0.00 N ATOM 959 CA SER A 60 1.377 10.265 -2.871 1.00 0.00 C ATOM 960 C SER A 60 1.662 10.420 -1.380 1.00 0.00 C ATOM 961 O SER A 60 1.132 9.670 -0.557 1.00 0.00 O ATOM 962 CB SER A 60 0.379 11.321 -3.343 1.00 0.00 C ATOM 963 OG SER A 60 -0.057 11.041 -4.666 1.00 0.00 O ATOM 0 H SER A 60 -0.153 8.897 -3.257 1.00 0.00 H new ATOM 0 HA SER A 60 2.315 10.403 -3.410 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.478 11.346 -2.670 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.841 12.308 -3.308 1.00 0.00 H new ATOM 0 HG SER A 60 -0.765 10.364 -4.641 1.00 0.00 H new ATOM 969 N ASN A 61 2.499 11.393 -1.053 1.00 0.00 N ATOM 970 CA ASN A 61 2.916 11.651 0.327 1.00 0.00 C ATOM 971 C ASN A 61 1.719 11.767 1.276 1.00 0.00 C ATOM 972 O ASN A 61 1.645 11.062 2.283 1.00 0.00 O ATOM 973 CB ASN A 61 3.759 12.931 0.374 1.00 0.00 C ATOM 974 CG ASN A 61 4.171 13.337 1.778 1.00 0.00 C ATOM 975 OD1 ASN A 61 4.335 12.503 2.666 1.00 0.00 O ATOM 976 ND2 ASN A 61 4.357 14.633 1.980 1.00 0.00 N ATOM 0 H ASN A 61 2.912 12.030 -1.734 1.00 0.00 H new ATOM 0 HA ASN A 61 3.512 10.803 0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.654 12.789 -0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.194 13.745 -0.079 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.647 14.970 2.898 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.211 15.294 1.217 1.00 0.00 H new ATOM 983 N GLU A 62 0.768 12.634 0.935 1.00 0.00 N ATOM 984 CA GLU A 62 -0.382 12.884 1.801 1.00 0.00 C ATOM 985 C GLU A 62 -1.243 11.633 1.962 1.00 0.00 C ATOM 986 O GLU A 62 -1.712 11.332 3.061 1.00 0.00 O ATOM 987 CB GLU A 62 -1.218 14.051 1.265 1.00 0.00 C ATOM 988 CG GLU A 62 -1.768 13.834 -0.137 1.00 0.00 C ATOM 989 CD GLU A 62 -2.439 15.074 -0.681 1.00 0.00 C ATOM 990 OE1 GLU A 62 -3.649 15.257 -0.442 1.00 0.00 O ATOM 991 OE2 GLU A 62 -1.748 15.889 -1.332 1.00 0.00 O ATOM 0 H GLU A 62 0.771 13.173 0.069 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.002 13.153 2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.050 14.229 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.606 14.953 1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.957 13.539 -0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.483 13.012 -0.122 1.00 0.00 H new ATOM 998 N GLU A 63 -1.425 10.893 0.873 1.00 0.00 N ATOM 999 CA GLU A 63 -2.218 9.668 0.900 1.00 0.00 C ATOM 1000 C GLU A 63 -1.569 8.655 1.832 1.00 0.00 C ATOM 1001 O GLU A 63 -2.234 8.003 2.641 1.00 0.00 O ATOM 1002 CB GLU A 63 -2.329 9.065 -0.501 1.00 0.00 C ATOM 1003 CG GLU A 63 -2.769 10.052 -1.568 1.00 0.00 C ATOM 1004 CD GLU A 63 -2.900 9.406 -2.934 1.00 0.00 C ATOM 1005 OE1 GLU A 63 -1.862 9.151 -3.584 1.00 0.00 O ATOM 1006 OE2 GLU A 63 -4.039 9.138 -3.362 1.00 0.00 O ATOM 0 H GLU A 63 -1.033 11.120 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.217 9.914 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.362 8.648 -0.783 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.037 8.237 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.726 10.489 -1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.049 10.869 -1.623 1.00 0.00 H new ATOM 1013 N PHE A 64 -0.257 8.559 1.714 1.00 0.00 N ATOM 1014 CA PHE A 64 0.529 7.611 2.477 1.00 0.00 C ATOM 1015 C PHE A 64 0.482 7.948 3.964 1.00 0.00 C ATOM 1016 O PHE A 64 0.269 7.073 4.801 1.00 0.00 O ATOM 1017 CB PHE A 64 1.968 7.637 1.972 1.00 0.00 C ATOM 1018 CG PHE A 64 2.684 6.328 2.097 1.00 0.00 C ATOM 1019 CD1 PHE A 64 2.472 5.326 1.166 1.00 0.00 C ATOM 1020 CD2 PHE A 64 3.578 6.106 3.128 1.00 0.00 C ATOM 1021 CE1 PHE A 64 3.140 4.124 1.260 1.00 0.00 C ATOM 1022 CE2 PHE A 64 4.246 4.904 3.230 1.00 0.00 C ATOM 1023 CZ PHE A 64 4.027 3.913 2.294 1.00 0.00 C ATOM 0 H PHE A 64 0.294 9.140 1.083 1.00 0.00 H new ATOM 0 HA PHE A 64 0.114 6.611 2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.969 7.941 0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.522 8.396 2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.775 5.488 0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.755 6.881 3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.969 3.350 0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.940 4.738 4.041 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.551 2.972 2.372 1.00 0.00 H new ATOM 1033 N GLN A 65 0.666 9.228 4.287 1.00 0.00 N ATOM 1034 CA GLN A 65 0.633 9.682 5.673 1.00 0.00 C ATOM 1035 C GLN A 65 -0.735 9.390 6.285 1.00 0.00 C ATOM 1036 O GLN A 65 -0.834 8.973 7.441 1.00 0.00 O ATOM 1037 CB GLN A 65 0.954 11.182 5.745 1.00 0.00 C ATOM 1038 CG GLN A 65 1.588 11.623 7.062 1.00 0.00 C ATOM 1039 CD GLN A 65 0.622 11.623 8.234 1.00 0.00 C ATOM 1040 OE1 GLN A 65 -0.572 11.879 8.075 1.00 0.00 O ATOM 1041 NE2 GLN A 65 1.134 11.325 9.418 1.00 0.00 N ATOM 0 H GLN A 65 0.839 9.967 3.606 1.00 0.00 H new ATOM 0 HA GLN A 65 1.388 9.143 6.244 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.627 11.438 4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.035 11.747 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.424 10.963 7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.998 12.626 6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.129 11.119 9.506 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.533 11.301 10.242 1.00 0.00 H new ATOM 1050 N THR A 66 -1.779 9.580 5.483 1.00 0.00 N ATOM 1051 CA THR A 66 -3.149 9.312 5.909 1.00 0.00 C ATOM 1052 C THR A 66 -3.302 7.873 6.416 1.00 0.00 C ATOM 1053 O THR A 66 -3.837 7.640 7.504 1.00 0.00 O ATOM 1054 CB THR A 66 -4.148 9.563 4.753 1.00 0.00 C ATOM 1055 OG1 THR A 66 -4.025 10.914 4.281 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.582 9.308 5.197 1.00 0.00 C ATOM 0 H THR A 66 -1.700 9.922 4.525 1.00 0.00 H new ATOM 0 HA THR A 66 -3.373 9.997 6.727 1.00 0.00 H new ATOM 0 HB THR A 66 -3.908 8.869 3.947 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.349 10.953 3.572 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.259 9.493 4.363 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.683 8.273 5.524 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.832 9.975 6.022 1.00 0.00 H new ATOM 1064 N MET A 67 -2.804 6.911 5.643 1.00 0.00 N ATOM 1065 CA MET A 67 -2.942 5.505 6.013 1.00 0.00 C ATOM 1066 C MET A 67 -2.080 5.174 7.230 1.00 0.00 C ATOM 1067 O MET A 67 -2.461 4.346 8.058 1.00 0.00 O ATOM 1068 CB MET A 67 -2.584 4.575 4.845 1.00 0.00 C ATOM 1069 CG MET A 67 -1.092 4.325 4.680 1.00 0.00 C ATOM 1070 SD MET A 67 -0.720 3.110 3.406 1.00 0.00 S ATOM 1071 CE MET A 67 1.035 2.879 3.680 1.00 0.00 C ATOM 0 H MET A 67 -2.307 7.076 4.767 1.00 0.00 H new ATOM 0 HA MET A 67 -3.989 5.340 6.268 1.00 0.00 H new ATOM 0 HB2 MET A 67 -3.087 3.619 4.989 1.00 0.00 H new ATOM 0 HB3 MET A 67 -2.973 5.004 3.922 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.597 5.264 4.434 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.679 3.986 5.630 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.467 2.339 2.837 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.519 3.851 3.775 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.188 2.306 4.595 1.00 0.00 H new ATOM 1081 N VAL A 68 -0.931 5.834 7.342 1.00 0.00 N ATOM 1082 CA VAL A 68 0.002 5.574 8.436 1.00 0.00 C ATOM 1083 C VAL A 68 -0.655 5.812 9.789 1.00 0.00 C ATOM 1084 O VAL A 68 -0.642 4.936 10.647 1.00 0.00 O ATOM 1085 CB VAL A 68 1.275 6.439 8.315 1.00 0.00 C ATOM 1086 CG1 VAL A 68 2.126 6.346 9.577 1.00 0.00 C ATOM 1087 CG2 VAL A 68 2.083 6.010 7.103 1.00 0.00 C ATOM 0 H VAL A 68 -0.623 6.554 6.688 1.00 0.00 H new ATOM 0 HA VAL A 68 0.290 4.525 8.364 1.00 0.00 H new ATOM 0 HB VAL A 68 0.970 7.478 8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.016 6.965 9.462 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.548 6.696 10.432 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.424 5.310 9.740 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.979 6.626 7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.370 4.964 7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.481 6.132 6.203 1.00 0.00 H new ATOM 1097 N ASP A 69 -1.246 6.986 9.966 1.00 0.00 N ATOM 1098 CA ASP A 69 -1.897 7.318 11.229 1.00 0.00 C ATOM 1099 C ASP A 69 -3.101 6.413 11.464 1.00 0.00 C ATOM 1100 O ASP A 69 -3.350 5.967 12.587 1.00 0.00 O ATOM 1101 CB ASP A 69 -2.329 8.784 11.250 1.00 0.00 C ATOM 1102 CG ASP A 69 -3.040 9.156 12.538 1.00 0.00 C ATOM 1103 OD1 ASP A 69 -2.357 9.337 13.571 1.00 0.00 O ATOM 1104 OD2 ASP A 69 -4.285 9.273 12.522 1.00 0.00 O ATOM 0 H ASP A 69 -1.289 7.720 9.259 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.177 7.159 12.031 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.453 9.420 11.124 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.989 8.978 10.404 1.00 0.00 H new ATOM 1109 N ALA A 70 -3.833 6.125 10.392 1.00 0.00 N ATOM 1110 CA ALA A 70 -4.992 5.251 10.476 1.00 0.00 C ATOM 1111 C ALA A 70 -4.607 3.881 11.030 1.00 0.00 C ATOM 1112 O ALA A 70 -5.219 3.400 11.979 1.00 0.00 O ATOM 1113 CB ALA A 70 -5.646 5.107 9.113 1.00 0.00 C ATOM 0 H ALA A 70 -3.642 6.485 9.457 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.708 5.704 11.162 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.512 4.450 9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.965 6.087 8.757 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.931 4.681 8.409 1.00 0.00 H new ATOM 1119 N PHE A 71 -3.574 3.272 10.453 1.00 0.00 N ATOM 1120 CA PHE A 71 -3.143 1.935 10.867 1.00 0.00 C ATOM 1121 C PHE A 71 -2.303 1.992 12.138 1.00 0.00 C ATOM 1122 O PHE A 71 -2.062 0.977 12.780 1.00 0.00 O ATOM 1123 CB PHE A 71 -2.371 1.248 9.738 1.00 0.00 C ATOM 1124 CG PHE A 71 -3.189 1.072 8.490 1.00 0.00 C ATOM 1125 CD1 PHE A 71 -4.473 0.555 8.561 1.00 0.00 C ATOM 1126 CD2 PHE A 71 -2.683 1.433 7.256 1.00 0.00 C ATOM 1127 CE1 PHE A 71 -5.236 0.403 7.421 1.00 0.00 C ATOM 1128 CE2 PHE A 71 -3.442 1.287 6.112 1.00 0.00 C ATOM 1129 CZ PHE A 71 -4.718 0.770 6.195 1.00 0.00 C ATOM 0 H PHE A 71 -3.020 3.680 9.700 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.035 1.347 11.086 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.482 1.834 9.504 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.028 0.272 10.081 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.881 0.268 9.519 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.683 1.834 7.186 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.235 -0.002 7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.037 1.577 5.154 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.312 0.652 5.301 1.00 0.00 H new ATOM 1139 N LYS A 72 -1.865 3.183 12.500 1.00 0.00 N ATOM 1140 CA LYS A 72 -1.156 3.386 13.754 1.00 0.00 C ATOM 1141 C LYS A 72 -2.154 3.450 14.909 1.00 0.00 C ATOM 1142 O LYS A 72 -1.800 3.268 16.079 1.00 0.00 O ATOM 1143 CB LYS A 72 -0.315 4.662 13.669 1.00 0.00 C ATOM 1144 CG LYS A 72 0.309 5.087 14.980 1.00 0.00 C ATOM 1145 CD LYS A 72 1.331 6.184 14.770 1.00 0.00 C ATOM 1146 CE LYS A 72 1.657 6.892 16.071 1.00 0.00 C ATOM 1147 NZ LYS A 72 0.621 7.901 16.417 1.00 0.00 N ATOM 0 H LYS A 72 -1.987 4.029 11.943 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.483 2.548 13.938 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.477 4.513 12.935 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.943 5.473 13.300 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.469 5.436 15.660 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.785 4.229 15.454 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.241 5.759 14.347 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.950 6.905 14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.736 6.160 16.875 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.628 7.380 15.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.718 8.169 17.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.743 8.743 15.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.324 7.497 16.257 1.00 0.00 H new ATOM 1161 N GLY A 73 -3.406 3.705 14.567 1.00 0.00 N ATOM 1162 CA GLY A 73 -4.459 3.735 15.566 1.00 0.00 C ATOM 1163 C GLY A 73 -5.561 2.731 15.278 1.00 0.00 C ATOM 1164 O GLY A 73 -6.665 2.843 15.811 1.00 0.00 O ATOM 0 H GLY A 73 -3.716 3.893 13.613 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.031 3.529 16.547 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.886 4.737 15.609 1.00 0.00 H new ATOM 1168 N ASN A 74 -5.261 1.748 14.443 1.00 0.00 N ATOM 1169 CA ASN A 74 -6.234 0.731 14.055 1.00 0.00 C ATOM 1170 C ASN A 74 -5.492 -0.529 13.636 1.00 0.00 C ATOM 1171 O ASN A 74 -4.295 -0.465 13.371 1.00 0.00 O ATOM 1172 CB ASN A 74 -7.118 1.253 12.907 1.00 0.00 C ATOM 1173 CG ASN A 74 -8.188 0.266 12.466 1.00 0.00 C ATOM 1174 OD1 ASN A 74 -9.274 0.215 13.039 1.00 0.00 O ATOM 1175 ND2 ASN A 74 -7.903 -0.508 11.427 1.00 0.00 N ATOM 0 H ASN A 74 -4.342 1.630 14.016 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.883 0.499 14.900 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.598 2.180 13.221 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.485 1.495 12.053 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.596 -1.172 11.080 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.991 -0.439 10.975 1.00 0.00 H new ATOM 1182 N LEU A 75 -6.193 -1.667 13.606 1.00 0.00 N ATOM 1183 CA LEU A 75 -5.608 -2.948 13.184 1.00 0.00 C ATOM 1184 C LEU A 75 -4.736 -3.535 14.287 1.00 0.00 C ATOM 1185 O LEU A 75 -4.999 -4.635 14.777 1.00 0.00 O ATOM 1186 CB LEU A 75 -4.809 -2.785 11.882 1.00 0.00 C ATOM 1187 CG LEU A 75 -3.906 -3.958 11.504 1.00 0.00 C ATOM 1188 CD1 LEU A 75 -4.722 -5.190 11.173 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -3.022 -3.576 10.336 1.00 0.00 C ATOM 0 H LEU A 75 -7.176 -1.729 13.871 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.424 -3.644 12.992 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.511 -2.614 11.066 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.193 -1.889 11.966 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.276 -4.196 12.361 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.053 -6.009 10.908 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.319 -5.475 12.040 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.382 -4.974 10.333 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.382 -4.418 10.074 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.644 -3.312 9.480 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.403 -2.722 10.612 1.00 0.00 H new ATOM 1201 N GLU A 76 -3.705 -2.800 14.676 1.00 0.00 N ATOM 1202 CA GLU A 76 -2.832 -3.216 15.757 1.00 0.00 C ATOM 1203 C GLU A 76 -3.587 -3.198 17.082 1.00 0.00 C ATOM 1204 O GLU A 76 -3.817 -2.133 17.660 1.00 0.00 O ATOM 1205 CB GLU A 76 -1.616 -2.283 15.846 1.00 0.00 C ATOM 1206 CG GLU A 76 -0.689 -2.594 17.015 1.00 0.00 C ATOM 1207 CD GLU A 76 0.243 -1.443 17.345 1.00 0.00 C ATOM 1208 OE1 GLU A 76 -0.248 -0.383 17.782 1.00 0.00 O ATOM 1209 OE2 GLU A 76 1.473 -1.598 17.206 1.00 0.00 O ATOM 0 H GLU A 76 -3.453 -1.906 14.254 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.491 -4.231 15.554 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.050 -2.349 14.917 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.964 -1.254 15.934 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.287 -2.835 17.894 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.098 -3.479 16.779 1.00 0.00 H new ATOM 1451 N THR B 8 -15.347 -15.120 -8.631 1.00 0.00 N ATOM 1452 CA THR B 8 -16.186 -14.171 -7.921 1.00 0.00 C ATOM 1453 C THR B 8 -15.370 -13.380 -6.901 1.00 0.00 C ATOM 1454 O THR B 8 -14.803 -13.948 -5.969 1.00 0.00 O ATOM 1455 CB THR B 8 -17.342 -14.902 -7.212 1.00 0.00 C ATOM 1456 OG1 THR B 8 -18.012 -15.761 -8.149 1.00 0.00 O ATOM 1457 CG2 THR B 8 -18.333 -13.911 -6.616 1.00 0.00 C ATOM 0 HA THR B 8 -16.599 -13.475 -8.651 1.00 0.00 H new ATOM 0 HB THR B 8 -16.928 -15.497 -6.398 1.00 0.00 H new ATOM 0 HG1 THR B 8 -17.365 -16.099 -8.803 1.00 0.00 H new ATOM 0 HG21 THR B 8 -19.138 -14.454 -6.122 1.00 0.00 H new ATOM 0 HG22 THR B 8 -17.823 -13.279 -5.889 1.00 0.00 H new ATOM 0 HG23 THR B 8 -18.748 -13.290 -7.410 1.00 0.00 H new ATOM 1465 N PHE B 9 -15.312 -12.072 -7.088 1.00 0.00 N ATOM 1466 CA PHE B 9 -14.593 -11.198 -6.176 1.00 0.00 C ATOM 1467 C PHE B 9 -15.583 -10.315 -5.433 1.00 0.00 C ATOM 1468 O PHE B 9 -16.634 -9.972 -5.974 1.00 0.00 O ATOM 1469 CB PHE B 9 -13.568 -10.343 -6.937 1.00 0.00 C ATOM 1470 CG PHE B 9 -14.170 -9.431 -7.974 1.00 0.00 C ATOM 1471 CD1 PHE B 9 -14.460 -9.899 -9.245 1.00 0.00 C ATOM 1472 CD2 PHE B 9 -14.443 -8.104 -7.675 1.00 0.00 C ATOM 1473 CE1 PHE B 9 -15.010 -9.061 -10.198 1.00 0.00 C ATOM 1474 CE2 PHE B 9 -14.993 -7.265 -8.624 1.00 0.00 C ATOM 1475 CZ PHE B 9 -15.277 -7.743 -9.886 1.00 0.00 C ATOM 0 H PHE B 9 -15.757 -11.589 -7.869 1.00 0.00 H new ATOM 0 HA PHE B 9 -14.049 -11.808 -5.455 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -13.011 -9.741 -6.220 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -12.851 -11.004 -7.424 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -14.254 -10.929 -9.495 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -14.223 -7.723 -6.689 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -15.231 -9.438 -11.186 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -15.201 -6.234 -8.378 1.00 0.00 H new ATOM 0 HZ PHE B 9 -15.707 -7.088 -10.629 1.00 0.00 H new ATOM 1485 N GLU B 10 -15.274 -9.965 -4.197 1.00 0.00 N ATOM 1486 CA GLU B 10 -16.177 -9.140 -3.411 1.00 0.00 C ATOM 1487 C GLU B 10 -15.406 -8.223 -2.475 1.00 0.00 C ATOM 1488 O GLU B 10 -14.475 -8.653 -1.792 1.00 0.00 O ATOM 1489 CB GLU B 10 -17.141 -10.028 -2.618 1.00 0.00 C ATOM 1490 CG GLU B 10 -18.245 -9.262 -1.911 1.00 0.00 C ATOM 1491 CD GLU B 10 -19.407 -10.156 -1.537 1.00 0.00 C ATOM 1492 OE1 GLU B 10 -20.193 -10.510 -2.442 1.00 0.00 O ATOM 1493 OE2 GLU B 10 -19.540 -10.519 -0.347 1.00 0.00 O ATOM 0 H GLU B 10 -14.414 -10.235 -3.719 1.00 0.00 H new ATOM 0 HA GLU B 10 -16.751 -8.514 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -17.592 -10.753 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -16.574 -10.593 -1.878 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -17.843 -8.795 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -18.599 -8.458 -2.557 1.00 0.00 H new ATOM 1500 N ILE B 11 -15.777 -6.953 -2.476 1.00 0.00 N ATOM 1501 CA ILE B 11 -15.213 -5.997 -1.540 1.00 0.00 C ATOM 1502 C ILE B 11 -16.049 -6.006 -0.270 1.00 0.00 C ATOM 1503 O ILE B 11 -17.124 -5.402 -0.210 1.00 0.00 O ATOM 1504 CB ILE B 11 -15.149 -4.554 -2.105 1.00 0.00 C ATOM 1505 CG1 ILE B 11 -14.263 -4.482 -3.356 1.00 0.00 C ATOM 1506 CG2 ILE B 11 -14.629 -3.589 -1.046 1.00 0.00 C ATOM 1507 CD1 ILE B 11 -14.931 -4.985 -4.618 1.00 0.00 C ATOM 0 H ILE B 11 -16.468 -6.561 -3.116 1.00 0.00 H new ATOM 0 HA ILE B 11 -14.186 -6.302 -1.341 1.00 0.00 H new ATOM 0 HB ILE B 11 -16.162 -4.265 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -13.953 -3.448 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -13.358 -5.063 -3.181 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -14.591 -2.581 -1.460 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -15.295 -3.602 -0.183 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -13.629 -3.893 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -14.238 -4.900 -5.455 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -15.216 -6.029 -4.488 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -15.821 -4.389 -4.821 1.00 0.00 H new ATOM 1519 N GLU B 12 -15.566 -6.721 0.730 1.00 0.00 N ATOM 1520 CA GLU B 12 -16.327 -6.938 1.949 1.00 0.00 C ATOM 1521 C GLU B 12 -16.315 -5.697 2.830 1.00 0.00 C ATOM 1522 O GLU B 12 -17.364 -5.127 3.134 1.00 0.00 O ATOM 1523 CB GLU B 12 -15.757 -8.132 2.713 1.00 0.00 C ATOM 1524 CG GLU B 12 -15.605 -9.384 1.863 1.00 0.00 C ATOM 1525 CD GLU B 12 -15.149 -10.588 2.664 1.00 0.00 C ATOM 1526 OE1 GLU B 12 -14.913 -10.449 3.885 1.00 0.00 O ATOM 1527 OE2 GLU B 12 -15.029 -11.682 2.082 1.00 0.00 O ATOM 0 H GLU B 12 -14.647 -7.163 0.722 1.00 0.00 H new ATOM 0 HA GLU B 12 -17.361 -7.147 1.675 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -14.784 -7.860 3.121 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -16.407 -8.355 3.559 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -16.558 -9.611 1.386 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -14.887 -9.191 1.066 1.00 0.00 H new ATOM 1534 N GLU B 13 -15.126 -5.272 3.220 1.00 0.00 N ATOM 1535 CA GLU B 13 -14.979 -4.130 4.109 1.00 0.00 C ATOM 1536 C GLU B 13 -13.907 -3.183 3.591 1.00 0.00 C ATOM 1537 O GLU B 13 -12.774 -3.595 3.343 1.00 0.00 O ATOM 1538 CB GLU B 13 -14.618 -4.605 5.524 1.00 0.00 C ATOM 1539 CG GLU B 13 -14.146 -3.498 6.461 1.00 0.00 C ATOM 1540 CD GLU B 13 -15.244 -2.531 6.864 1.00 0.00 C ATOM 1541 OE1 GLU B 13 -16.017 -2.090 5.992 1.00 0.00 O ATOM 1542 OE2 GLU B 13 -15.315 -2.181 8.061 1.00 0.00 O ATOM 0 H GLU B 13 -14.246 -5.701 2.935 1.00 0.00 H new ATOM 0 HA GLU B 13 -15.928 -3.596 4.143 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -15.489 -5.090 5.964 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -13.836 -5.361 5.452 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -13.724 -3.949 7.359 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -13.344 -2.942 5.977 1.00 0.00 H new ATOM 1549 N HIS B 14 -14.265 -1.922 3.414 1.00 0.00 N ATOM 1550 CA HIS B 14 -13.282 -0.909 3.076 1.00 0.00 C ATOM 1551 C HIS B 14 -12.778 -0.254 4.356 1.00 0.00 C ATOM 1552 O HIS B 14 -13.567 0.207 5.184 1.00 0.00 O ATOM 1553 CB HIS B 14 -13.840 0.130 2.086 1.00 0.00 C ATOM 1554 CG HIS B 14 -14.956 0.994 2.603 1.00 0.00 C ATOM 1555 ND1 HIS B 14 -16.278 0.614 2.575 1.00 0.00 N ATOM 1556 CD2 HIS B 14 -14.938 2.238 3.132 1.00 0.00 C ATOM 1557 CE1 HIS B 14 -17.024 1.586 3.059 1.00 0.00 C ATOM 1558 NE2 HIS B 14 -16.237 2.587 3.405 1.00 0.00 N ATOM 0 H HIS B 14 -15.222 -1.578 3.498 1.00 0.00 H new ATOM 0 HA HIS B 14 -12.445 -1.389 2.568 1.00 0.00 H new ATOM 0 HB2 HIS B 14 -13.022 0.777 1.769 1.00 0.00 H new ATOM 0 HB3 HIS B 14 -14.194 -0.395 1.199 1.00 0.00 H new ATOM 0 HD2 HIS B 14 -14.062 2.845 3.308 1.00 0.00 H new ATOM 0 HE1 HIS B 14 -18.099 1.567 3.156 1.00 0.00 H new ATOM 0 HE2 HIS B 14 -16.543 3.473 3.808 1.00 0.00 H new ATOM 1567 N LEU B 15 -11.467 -0.244 4.527 1.00 0.00 N ATOM 1568 CA LEU B 15 -10.858 0.255 5.749 1.00 0.00 C ATOM 1569 C LEU B 15 -11.018 1.763 5.841 1.00 0.00 C ATOM 1570 O LEU B 15 -11.757 2.271 6.683 1.00 0.00 O ATOM 1571 CB LEU B 15 -9.376 -0.119 5.787 1.00 0.00 C ATOM 1572 CG LEU B 15 -9.078 -1.612 5.653 1.00 0.00 C ATOM 1573 CD1 LEU B 15 -7.582 -1.839 5.527 1.00 0.00 C ATOM 1574 CD2 LEU B 15 -9.637 -2.380 6.843 1.00 0.00 C ATOM 0 H LEU B 15 -10.800 -0.578 3.831 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.360 -0.202 6.602 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.863 0.411 4.984 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.952 0.237 6.726 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.564 -1.983 4.750 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.383 -2.906 5.432 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.208 -1.320 4.644 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -7.080 -1.453 6.414 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.414 -3.441 6.728 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -9.181 -2.011 7.761 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.717 -2.239 6.892 1.00 0.00 H new ATOM 1586 N LEU B 16 -10.334 2.471 4.959 1.00 0.00 N ATOM 1587 CA LEU B 16 -10.405 3.920 4.926 1.00 0.00 C ATOM 1588 C LEU B 16 -10.057 4.430 3.540 1.00 0.00 C ATOM 1589 O LEU B 16 -9.312 3.782 2.797 1.00 0.00 O ATOM 1590 CB LEU B 16 -9.455 4.551 5.952 1.00 0.00 C ATOM 1591 CG LEU B 16 -7.966 4.291 5.714 1.00 0.00 C ATOM 1592 CD1 LEU B 16 -7.163 5.563 5.947 1.00 0.00 C ATOM 1593 CD2 LEU B 16 -7.463 3.182 6.625 1.00 0.00 C ATOM 0 H LEU B 16 -9.721 2.063 4.253 1.00 0.00 H new ATOM 0 HA LEU B 16 -11.426 4.206 5.178 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -9.621 5.628 5.962 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -9.718 4.179 6.942 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.835 3.976 4.679 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -6.106 5.363 5.774 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -7.502 6.338 5.260 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -7.305 5.900 6.974 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.402 3.012 6.440 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -7.608 3.472 7.666 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -8.018 2.266 6.423 1.00 0.00 H new ATOM 1605 N THR B 17 -10.600 5.583 3.200 1.00 0.00 N ATOM 1606 CA THR B 17 -10.289 6.237 1.949 1.00 0.00 C ATOM 1607 C THR B 17 -9.060 7.124 2.136 1.00 0.00 C ATOM 1608 O THR B 17 -9.031 7.964 3.038 1.00 0.00 O ATOM 1609 CB THR B 17 -11.480 7.091 1.474 1.00 0.00 C ATOM 1610 OG1 THR B 17 -12.691 6.320 1.529 1.00 0.00 O ATOM 1611 CG2 THR B 17 -11.260 7.598 0.056 1.00 0.00 C ATOM 0 H THR B 17 -11.267 6.089 3.783 1.00 0.00 H new ATOM 0 HA THR B 17 -10.085 5.478 1.194 1.00 0.00 H new ATOM 0 HB THR B 17 -11.565 7.951 2.138 1.00 0.00 H new ATOM 0 HG1 THR B 17 -12.520 5.417 1.188 1.00 0.00 H new ATOM 0 HG21 THR B 17 -12.116 8.198 -0.253 1.00 0.00 H new ATOM 0 HG22 THR B 17 -10.358 8.210 0.024 1.00 0.00 H new ATOM 0 HG23 THR B 17 -11.148 6.750 -0.620 1.00 0.00 H new ATOM 1619 N LEU B 18 -8.044 6.924 1.306 1.00 0.00 N ATOM 1620 CA LEU B 18 -6.804 7.678 1.432 1.00 0.00 C ATOM 1621 C LEU B 18 -6.980 9.084 0.889 1.00 0.00 C ATOM 1622 O LEU B 18 -6.739 10.067 1.589 1.00 0.00 O ATOM 1623 CB LEU B 18 -5.661 6.976 0.693 1.00 0.00 C ATOM 1624 CG LEU B 18 -5.379 5.540 1.140 1.00 0.00 C ATOM 1625 CD1 LEU B 18 -4.185 4.974 0.391 1.00 0.00 C ATOM 1626 CD2 LEU B 18 -5.144 5.482 2.639 1.00 0.00 C ATOM 0 H LEU B 18 -8.054 6.249 0.541 1.00 0.00 H new ATOM 0 HA LEU B 18 -6.552 7.734 2.491 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -5.889 6.969 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -4.752 7.564 0.821 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.252 4.931 0.907 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -3.999 3.952 0.722 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -4.392 4.977 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.306 5.586 0.592 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.945 4.452 2.937 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -4.289 6.106 2.898 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -6.029 5.846 3.160 1.00 0.00 H new ATOM 1638 N SER B 19 -7.413 9.171 -0.362 1.00 0.00 N ATOM 1639 CA SER B 19 -7.635 10.452 -1.009 1.00 0.00 C ATOM 1640 C SER B 19 -8.378 10.237 -2.325 1.00 0.00 C ATOM 1641 O SER B 19 -8.686 9.101 -2.694 1.00 0.00 O ATOM 1642 CB SER B 19 -6.301 11.166 -1.257 1.00 0.00 C ATOM 1643 OG SER B 19 -6.499 12.525 -1.615 1.00 0.00 O ATOM 0 H SER B 19 -7.618 8.363 -0.950 1.00 0.00 H new ATOM 0 HA SER B 19 -8.240 11.081 -0.356 1.00 0.00 H new ATOM 0 HB2 SER B 19 -5.685 11.111 -0.360 1.00 0.00 H new ATOM 0 HB3 SER B 19 -5.755 10.655 -2.050 1.00 0.00 H new ATOM 0 HG SER B 19 -5.631 12.954 -1.765 1.00 0.00 H new ATOM 1649 N GLU B 20 -8.656 11.321 -3.028 1.00 0.00 N ATOM 1650 CA GLU B 20 -9.385 11.261 -4.284 1.00 0.00 C ATOM 1651 C GLU B 20 -8.594 12.016 -5.348 1.00 0.00 C ATOM 1652 O GLU B 20 -8.487 13.243 -5.301 1.00 0.00 O ATOM 1653 CB GLU B 20 -10.784 11.852 -4.088 1.00 0.00 C ATOM 1654 CG GLU B 20 -11.866 11.201 -4.934 1.00 0.00 C ATOM 1655 CD GLU B 20 -11.904 11.720 -6.354 1.00 0.00 C ATOM 1656 OE1 GLU B 20 -11.095 11.267 -7.177 1.00 0.00 O ATOM 1657 OE2 GLU B 20 -12.767 12.574 -6.650 1.00 0.00 O ATOM 0 H GLU B 20 -8.385 12.263 -2.747 1.00 0.00 H new ATOM 0 HA GLU B 20 -9.504 10.229 -4.614 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -11.059 11.762 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -10.751 12.917 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -11.705 10.123 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -12.836 11.371 -4.466 1.00 0.00 H new ATOM 1664 N ASN B 21 -8.030 11.273 -6.292 1.00 0.00 N ATOM 1665 CA ASN B 21 -7.052 11.824 -7.228 1.00 0.00 C ATOM 1666 C ASN B 21 -7.707 12.239 -8.535 1.00 0.00 C ATOM 1667 O ASN B 21 -8.533 11.509 -9.086 1.00 0.00 O ATOM 1668 CB ASN B 21 -5.948 10.798 -7.538 1.00 0.00 C ATOM 1669 CG ASN B 21 -5.018 10.498 -6.370 1.00 0.00 C ATOM 1670 OD1 ASN B 21 -3.849 10.166 -6.570 1.00 0.00 O ATOM 1671 ND2 ASN B 21 -5.521 10.597 -5.152 1.00 0.00 N ATOM 0 H ASN B 21 -8.233 10.283 -6.432 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.617 12.701 -6.749 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -6.415 9.868 -7.862 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -5.353 11.165 -8.375 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.936 10.396 -4.341 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -6.494 10.875 -5.023 1.00 0.00 H new ATOM 1678 N GLU B 22 -7.329 13.422 -9.022 1.00 0.00 N ATOM 1679 CA GLU B 22 -7.742 13.897 -10.340 1.00 0.00 C ATOM 1680 C GLU B 22 -9.257 14.082 -10.430 1.00 0.00 C ATOM 1681 O GLU B 22 -9.799 14.268 -11.519 1.00 0.00 O ATOM 1682 CB GLU B 22 -7.241 12.924 -11.414 1.00 0.00 C ATOM 1683 CG GLU B 22 -5.721 12.863 -11.497 1.00 0.00 C ATOM 1684 CD GLU B 22 -5.209 11.507 -11.933 1.00 0.00 C ATOM 1685 OE1 GLU B 22 -5.438 11.122 -13.097 1.00 0.00 O ATOM 1686 OE2 GLU B 22 -4.572 10.818 -11.106 1.00 0.00 O ATOM 0 H GLU B 22 -6.731 14.074 -8.515 1.00 0.00 H new ATOM 0 HA GLU B 22 -7.296 14.877 -10.507 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -7.628 11.927 -11.203 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -7.641 13.223 -12.383 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.370 13.621 -12.197 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -5.299 13.109 -10.523 1.00 0.00 H new ATOM 1693 N LYS B 23 -9.922 14.056 -9.272 1.00 0.00 N ATOM 1694 CA LYS B 23 -11.371 14.216 -9.186 1.00 0.00 C ATOM 1695 C LYS B 23 -12.082 13.174 -10.049 1.00 0.00 C ATOM 1696 O LYS B 23 -12.636 13.489 -11.107 1.00 0.00 O ATOM 1697 CB LYS B 23 -11.783 15.642 -9.579 1.00 0.00 C ATOM 1698 CG LYS B 23 -11.199 16.704 -8.660 1.00 0.00 C ATOM 1699 CD LYS B 23 -11.441 18.123 -9.163 1.00 0.00 C ATOM 1700 CE LYS B 23 -12.902 18.550 -9.057 1.00 0.00 C ATOM 1701 NZ LYS B 23 -13.723 18.061 -10.197 1.00 0.00 N ATOM 0 H LYS B 23 -9.468 13.923 -8.368 1.00 0.00 H new ATOM 0 HA LYS B 23 -11.675 14.054 -8.152 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -11.462 15.838 -10.602 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -12.870 15.717 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -11.635 16.597 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -10.127 16.538 -8.557 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -10.823 18.816 -8.592 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -11.122 18.194 -10.203 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -13.321 18.173 -8.124 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -12.957 19.638 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -14.306 18.840 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -13.097 17.711 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -14.341 17.289 -9.874 1.00 0.00 H new ATOM 1715 N GLY B 24 -12.040 11.930 -9.595 1.00 0.00 N ATOM 1716 CA GLY B 24 -12.646 10.837 -10.326 1.00 0.00 C ATOM 1717 C GLY B 24 -12.068 9.493 -9.925 1.00 0.00 C ATOM 1718 O GLY B 24 -12.783 8.490 -9.875 1.00 0.00 O ATOM 0 H GLY B 24 -11.590 11.656 -8.721 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -13.722 10.836 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -12.498 10.990 -11.395 1.00 0.00 H new ATOM 1722 N TRP B 25 -10.780 9.477 -9.617 1.00 0.00 N ATOM 1723 CA TRP B 25 -10.090 8.242 -9.263 1.00 0.00 C ATOM 1724 C TRP B 25 -9.784 8.216 -7.772 1.00 0.00 C ATOM 1725 O TRP B 25 -8.852 8.868 -7.302 1.00 0.00 O ATOM 1726 CB TRP B 25 -8.797 8.100 -10.076 1.00 0.00 C ATOM 1727 CG TRP B 25 -9.034 7.798 -11.527 1.00 0.00 C ATOM 1728 CD1 TRP B 25 -9.840 8.485 -12.389 1.00 0.00 C ATOM 1729 CD2 TRP B 25 -8.452 6.732 -12.286 1.00 0.00 C ATOM 1730 NE1 TRP B 25 -9.814 7.901 -13.630 1.00 0.00 N ATOM 1731 CE2 TRP B 25 -8.966 6.825 -13.595 1.00 0.00 C ATOM 1732 CE3 TRP B 25 -7.557 5.701 -11.986 1.00 0.00 C ATOM 1733 CZ2 TRP B 25 -8.606 5.931 -14.601 1.00 0.00 C ATOM 1734 CZ3 TRP B 25 -7.201 4.815 -12.987 1.00 0.00 C ATOM 1735 CH2 TRP B 25 -7.726 4.935 -14.279 1.00 0.00 C ATOM 0 H TRP B 25 -10.188 10.308 -9.605 1.00 0.00 H new ATOM 0 HA TRP B 25 -10.741 7.401 -9.499 1.00 0.00 H new ATOM 0 HB2 TRP B 25 -8.222 9.022 -9.994 1.00 0.00 H new ATOM 0 HB3 TRP B 25 -8.189 7.306 -9.642 1.00 0.00 H new ATOM 0 HD1 TRP B 25 -10.415 9.362 -12.131 1.00 0.00 H new ATOM 0 HE1 TRP B 25 -10.340 8.216 -14.445 1.00 0.00 H new ATOM 0 HE3 TRP B 25 -7.151 5.598 -10.991 1.00 0.00 H new ATOM 0 HZ2 TRP B 25 -9.008 6.021 -15.599 1.00 0.00 H new ATOM 0 HZ3 TRP B 25 -6.506 4.017 -12.768 1.00 0.00 H new ATOM 0 HH2 TRP B 25 -7.430 4.226 -15.038 1.00 0.00 H new ATOM 1746 N THR B 26 -10.565 7.454 -7.032 1.00 0.00 N ATOM 1747 CA THR B 26 -10.434 7.425 -5.588 1.00 0.00 C ATOM 1748 C THR B 26 -9.389 6.398 -5.160 1.00 0.00 C ATOM 1749 O THR B 26 -9.320 5.298 -5.708 1.00 0.00 O ATOM 1750 CB THR B 26 -11.782 7.099 -4.925 1.00 0.00 C ATOM 1751 OG1 THR B 26 -12.812 7.924 -5.490 1.00 0.00 O ATOM 1752 CG2 THR B 26 -11.725 7.325 -3.421 1.00 0.00 C ATOM 0 H THR B 26 -11.295 6.848 -7.405 1.00 0.00 H new ATOM 0 HA THR B 26 -10.111 8.414 -5.263 1.00 0.00 H new ATOM 0 HB THR B 26 -12.003 6.048 -5.109 1.00 0.00 H new ATOM 0 HG1 THR B 26 -13.670 7.712 -5.066 1.00 0.00 H new ATOM 0 HG21 THR B 26 -12.693 7.086 -2.980 1.00 0.00 H new ATOM 0 HG22 THR B 26 -10.959 6.683 -2.985 1.00 0.00 H new ATOM 0 HG23 THR B 26 -11.482 8.368 -3.219 1.00 0.00 H new ATOM 1760 N LYS B 27 -8.579 6.769 -4.179 1.00 0.00 N ATOM 1761 CA LYS B 27 -7.536 5.897 -3.666 1.00 0.00 C ATOM 1762 C LYS B 27 -7.964 5.367 -2.302 1.00 0.00 C ATOM 1763 O LYS B 27 -8.124 6.147 -1.359 1.00 0.00 O ATOM 1764 CB LYS B 27 -6.228 6.686 -3.526 1.00 0.00 C ATOM 1765 CG LYS B 27 -4.963 5.837 -3.564 1.00 0.00 C ATOM 1766 CD LYS B 27 -4.604 5.427 -4.983 1.00 0.00 C ATOM 1767 CE LYS B 27 -4.478 6.628 -5.918 1.00 0.00 C ATOM 1768 NZ LYS B 27 -3.437 7.600 -5.479 1.00 0.00 N ATOM 0 H LYS B 27 -8.627 7.678 -3.719 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.378 5.065 -4.352 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -6.178 7.424 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.251 7.237 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -4.136 6.396 -3.126 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.104 4.946 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.663 4.877 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -5.366 4.749 -5.367 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -4.239 6.277 -6.922 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -5.440 7.137 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -3.432 8.417 -6.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -3.648 7.921 -4.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -2.504 7.141 -5.495 1.00 0.00 H new ATOM 1782 N GLU B 28 -8.164 4.062 -2.192 1.00 0.00 N ATOM 1783 CA GLU B 28 -8.675 3.488 -0.955 1.00 0.00 C ATOM 1784 C GLU B 28 -8.080 2.108 -0.685 1.00 0.00 C ATOM 1785 O GLU B 28 -7.669 1.402 -1.604 1.00 0.00 O ATOM 1786 CB GLU B 28 -10.202 3.402 -1.020 1.00 0.00 C ATOM 1787 CG GLU B 28 -10.841 2.821 0.229 1.00 0.00 C ATOM 1788 CD GLU B 28 -12.348 2.843 0.178 1.00 0.00 C ATOM 1789 OE1 GLU B 28 -12.938 1.933 -0.435 1.00 0.00 O ATOM 1790 OE2 GLU B 28 -12.947 3.771 0.757 1.00 0.00 O ATOM 0 H GLU B 28 -7.983 3.387 -2.935 1.00 0.00 H new ATOM 0 HA GLU B 28 -8.379 4.139 -0.132 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -10.605 4.400 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -10.485 2.792 -1.878 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.501 1.794 0.361 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.503 3.383 1.100 1.00 0.00 H new ATOM 1797 N ILE B 29 -8.028 1.741 0.588 1.00 0.00 N ATOM 1798 CA ILE B 29 -7.584 0.417 0.989 1.00 0.00 C ATOM 1799 C ILE B 29 -8.780 -0.383 1.493 1.00 0.00 C ATOM 1800 O ILE B 29 -9.390 -0.030 2.505 1.00 0.00 O ATOM 1801 CB ILE B 29 -6.509 0.490 2.095 1.00 0.00 C ATOM 1802 CG1 ILE B 29 -5.368 1.417 1.658 1.00 0.00 C ATOM 1803 CG2 ILE B 29 -5.974 -0.902 2.406 1.00 0.00 C ATOM 1804 CD1 ILE B 29 -4.299 1.618 2.710 1.00 0.00 C ATOM 0 H ILE B 29 -8.290 2.348 1.365 1.00 0.00 H new ATOM 0 HA ILE B 29 -7.141 -0.071 0.121 1.00 0.00 H new ATOM 0 HB ILE B 29 -6.962 0.895 3.000 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.906 1.008 0.759 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -5.785 2.387 1.389 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -5.217 -0.835 3.187 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -6.791 -1.538 2.746 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.530 -1.331 1.507 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.529 2.286 2.323 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -4.745 2.057 3.603 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -3.852 0.657 2.963 1.00 0.00 H new ATOM 1816 N ASN B 30 -9.127 -1.443 0.782 1.00 0.00 N ATOM 1817 CA ASN B 30 -10.310 -2.229 1.114 1.00 0.00 C ATOM 1818 C ASN B 30 -10.019 -3.720 1.018 1.00 0.00 C ATOM 1819 O ASN B 30 -9.096 -4.132 0.328 1.00 0.00 O ATOM 1820 CB ASN B 30 -11.482 -1.854 0.198 1.00 0.00 C ATOM 1821 CG ASN B 30 -11.114 -1.839 -1.279 1.00 0.00 C ATOM 1822 OD1 ASN B 30 -11.208 -2.852 -1.972 1.00 0.00 O ATOM 1823 ND2 ASN B 30 -10.710 -0.679 -1.773 1.00 0.00 N ATOM 0 H ASN B 30 -8.609 -1.781 -0.029 1.00 0.00 H new ATOM 0 HA ASN B 30 -10.586 -2.001 2.144 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -12.297 -2.561 0.355 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -11.855 -0.870 0.482 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -10.464 -0.603 -2.760 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -10.645 0.139 -1.167 1.00 0.00 H new ATOM 1830 N ARG B 31 -10.801 -4.526 1.725 1.00 0.00 N ATOM 1831 CA ARG B 31 -10.585 -5.969 1.740 1.00 0.00 C ATOM 1832 C ARG B 31 -11.384 -6.652 0.639 1.00 0.00 C ATOM 1833 O ARG B 31 -12.602 -6.476 0.540 1.00 0.00 O ATOM 1834 CB ARG B 31 -10.955 -6.570 3.099 1.00 0.00 C ATOM 1835 CG ARG B 31 -10.151 -6.001 4.253 1.00 0.00 C ATOM 1836 CD ARG B 31 -10.239 -6.886 5.486 1.00 0.00 C ATOM 1837 NE ARG B 31 -11.616 -7.098 5.934 1.00 0.00 N ATOM 1838 CZ ARG B 31 -12.026 -6.909 7.187 1.00 0.00 C ATOM 1839 NH1 ARG B 31 -11.180 -6.461 8.105 1.00 0.00 N ATOM 1840 NH2 ARG B 31 -13.281 -7.173 7.520 1.00 0.00 N ATOM 0 H ARG B 31 -11.587 -4.208 2.293 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.524 -6.141 1.561 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -12.015 -6.399 3.286 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -10.808 -7.649 3.062 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -9.108 -5.896 3.954 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -10.516 -5.003 4.494 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -9.780 -7.850 5.269 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -9.664 -6.434 6.294 1.00 0.00 H new ATOM 0 HE ARG B 31 -12.302 -7.409 5.246 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -10.212 -6.260 7.852 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -11.497 -6.317 9.064 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -13.933 -7.521 6.817 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -13.595 -7.028 8.480 1.00 0.00 H new ATOM 1854 N VAL B 32 -10.691 -7.436 -0.177 1.00 0.00 N ATOM 1855 CA VAL B 32 -11.320 -8.146 -1.284 1.00 0.00 C ATOM 1856 C VAL B 32 -11.105 -9.650 -1.145 1.00 0.00 C ATOM 1857 O VAL B 32 -9.992 -10.103 -0.859 1.00 0.00 O ATOM 1858 CB VAL B 32 -10.760 -7.681 -2.649 1.00 0.00 C ATOM 1859 CG1 VAL B 32 -11.509 -8.337 -3.800 1.00 0.00 C ATOM 1860 CG2 VAL B 32 -10.816 -6.166 -2.770 1.00 0.00 C ATOM 0 H VAL B 32 -9.687 -7.597 -0.092 1.00 0.00 H new ATOM 0 HA VAL B 32 -12.386 -7.920 -1.248 1.00 0.00 H new ATOM 0 HB VAL B 32 -9.716 -7.991 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -11.095 -7.992 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -11.405 -9.420 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -12.564 -8.069 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -10.417 -5.863 -3.738 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -11.850 -5.832 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -10.221 -5.715 -1.975 1.00 0.00 H new ATOM 1870 N SER B 33 -12.174 -10.411 -1.319 1.00 0.00 N ATOM 1871 CA SER B 33 -12.103 -11.864 -1.274 1.00 0.00 C ATOM 1872 C SER B 33 -12.321 -12.454 -2.664 1.00 0.00 C ATOM 1873 O SER B 33 -13.036 -11.880 -3.489 1.00 0.00 O ATOM 1874 CB SER B 33 -13.138 -12.407 -0.293 1.00 0.00 C ATOM 1875 OG SER B 33 -14.404 -11.807 -0.502 1.00 0.00 O ATOM 0 H SER B 33 -13.109 -10.043 -1.494 1.00 0.00 H new ATOM 0 HA SER B 33 -11.110 -12.156 -0.933 1.00 0.00 H new ATOM 0 HB2 SER B 33 -13.221 -13.488 -0.409 1.00 0.00 H new ATOM 0 HB3 SER B 33 -12.808 -12.220 0.729 1.00 0.00 H new ATOM 0 HG SER B 33 -14.902 -11.791 0.342 1.00 0.00 H new ATOM 1881 N PHE B 34 -11.681 -13.584 -2.928 1.00 0.00 N ATOM 1882 CA PHE B 34 -11.788 -14.237 -4.224 1.00 0.00 C ATOM 1883 C PHE B 34 -12.328 -15.651 -4.059 1.00 0.00 C ATOM 1884 O PHE B 34 -11.659 -16.511 -3.490 1.00 0.00 O ATOM 1885 CB PHE B 34 -10.428 -14.269 -4.928 1.00 0.00 C ATOM 1886 CG PHE B 34 -9.883 -12.904 -5.253 1.00 0.00 C ATOM 1887 CD1 PHE B 34 -10.262 -12.254 -6.418 1.00 0.00 C ATOM 1888 CD2 PHE B 34 -8.995 -12.272 -4.397 1.00 0.00 C ATOM 1889 CE1 PHE B 34 -9.762 -11.001 -6.723 1.00 0.00 C ATOM 1890 CE2 PHE B 34 -8.492 -11.020 -4.697 1.00 0.00 C ATOM 1891 CZ PHE B 34 -8.876 -10.384 -5.861 1.00 0.00 C ATOM 0 H PHE B 34 -11.081 -14.068 -2.260 1.00 0.00 H new ATOM 0 HA PHE B 34 -12.481 -13.665 -4.840 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -9.713 -14.795 -4.295 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -10.519 -14.843 -5.850 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -10.955 -12.732 -7.095 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -8.692 -12.764 -3.484 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -10.064 -10.506 -7.634 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -7.799 -10.540 -4.022 1.00 0.00 H new ATOM 0 HZ PHE B 34 -8.484 -9.406 -6.097 1.00 0.00 H new ATOM 1901 N ASN B 35 -13.557 -15.856 -4.548 1.00 0.00 N ATOM 1902 CA ASN B 35 -14.280 -17.142 -4.485 1.00 0.00 C ATOM 1903 C ASN B 35 -14.269 -17.753 -3.083 1.00 0.00 C ATOM 1904 O ASN B 35 -14.464 -18.957 -2.911 1.00 0.00 O ATOM 1905 CB ASN B 35 -13.761 -18.154 -5.534 1.00 0.00 C ATOM 1906 CG ASN B 35 -12.387 -18.739 -5.241 1.00 0.00 C ATOM 1907 OD1 ASN B 35 -12.261 -19.737 -4.530 1.00 0.00 O ATOM 1908 ND2 ASN B 35 -11.353 -18.156 -5.829 1.00 0.00 N ATOM 0 H ASN B 35 -14.092 -15.120 -5.009 1.00 0.00 H new ATOM 0 HA ASN B 35 -15.318 -16.914 -4.729 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -14.478 -18.971 -5.613 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -13.730 -17.662 -6.506 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -10.414 -18.532 -5.700 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.496 -17.331 -6.411 1.00 0.00 H new ATOM 1915 N GLY B 36 -14.099 -16.903 -2.085 1.00 0.00 N ATOM 1916 CA GLY B 36 -14.057 -17.356 -0.713 1.00 0.00 C ATOM 1917 C GLY B 36 -12.800 -16.893 -0.014 1.00 0.00 C ATOM 1918 O GLY B 36 -12.150 -15.947 -0.473 1.00 0.00 O ATOM 0 H GLY B 36 -13.988 -15.896 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -14.930 -16.982 -0.179 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -14.109 -18.444 -0.687 1.00 0.00 H new ATOM 1922 N ALA B 37 -12.467 -17.559 1.097 1.00 0.00 N ATOM 1923 CA ALA B 37 -11.271 -17.249 1.883 1.00 0.00 C ATOM 1924 C ALA B 37 -11.374 -15.869 2.542 1.00 0.00 C ATOM 1925 O ALA B 37 -12.213 -15.050 2.164 1.00 0.00 O ATOM 1926 CB ALA B 37 -10.021 -17.350 1.008 1.00 0.00 C ATOM 0 H ALA B 37 -13.020 -18.328 1.475 1.00 0.00 H new ATOM 0 HA ALA B 37 -11.193 -17.984 2.684 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -9.139 -17.117 1.605 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -9.934 -18.362 0.613 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -10.097 -16.643 0.182 1.00 0.00 H new ATOM 1932 N PRO B 38 -10.549 -15.601 3.570 1.00 0.00 N ATOM 1933 CA PRO B 38 -10.508 -14.289 4.221 1.00 0.00 C ATOM 1934 C PRO B 38 -10.084 -13.190 3.253 1.00 0.00 C ATOM 1935 O PRO B 38 -9.062 -13.307 2.574 1.00 0.00 O ATOM 1936 CB PRO B 38 -9.458 -14.457 5.325 1.00 0.00 C ATOM 1937 CG PRO B 38 -9.342 -15.927 5.530 1.00 0.00 C ATOM 1938 CD PRO B 38 -9.614 -16.551 4.195 1.00 0.00 C ATOM 0 HA PRO B 38 -11.487 -13.991 4.597 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.503 -14.024 5.029 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.766 -13.954 6.242 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.349 -16.194 5.891 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.056 -16.275 6.276 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -8.702 -16.664 3.609 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -10.054 -17.543 4.295 1.00 0.00 H new ATOM 1946 N ALA B 39 -10.881 -12.134 3.185 1.00 0.00 N ATOM 1947 CA ALA B 39 -10.583 -11.000 2.322 1.00 0.00 C ATOM 1948 C ALA B 39 -9.295 -10.310 2.752 1.00 0.00 C ATOM 1949 O ALA B 39 -9.151 -9.912 3.910 1.00 0.00 O ATOM 1950 CB ALA B 39 -11.736 -10.014 2.338 1.00 0.00 C ATOM 0 H ALA B 39 -11.744 -12.039 3.720 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.447 -11.372 1.306 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -11.502 -9.170 1.689 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -12.641 -10.506 1.981 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -11.895 -9.656 3.355 1.00 0.00 H new ATOM 1956 N LYS B 40 -8.363 -10.172 1.819 1.00 0.00 N ATOM 1957 CA LYS B 40 -7.088 -9.530 2.109 1.00 0.00 C ATOM 1958 C LYS B 40 -7.193 -8.027 1.906 1.00 0.00 C ATOM 1959 O LYS B 40 -8.142 -7.541 1.293 1.00 0.00 O ATOM 1960 CB LYS B 40 -5.974 -10.096 1.230 1.00 0.00 C ATOM 1961 CG LYS B 40 -5.662 -11.556 1.490 1.00 0.00 C ATOM 1962 CD LYS B 40 -4.393 -11.976 0.768 1.00 0.00 C ATOM 1963 CE LYS B 40 -4.053 -13.429 1.039 1.00 0.00 C ATOM 1964 NZ LYS B 40 -2.702 -13.784 0.532 1.00 0.00 N ATOM 0 H LYS B 40 -8.465 -10.495 0.857 1.00 0.00 H new ATOM 0 HA LYS B 40 -6.841 -9.734 3.151 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.255 -9.976 0.184 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.069 -9.509 1.386 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.548 -11.722 2.561 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -6.496 -12.175 1.158 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -4.516 -11.824 -0.304 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -3.565 -11.342 1.087 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -4.100 -13.619 2.111 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -4.798 -14.070 0.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -2.513 -14.789 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -2.659 -13.610 -0.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -1.987 -13.201 1.012 1.00 0.00 H new ATOM 1978 N PHE B 41 -6.209 -7.299 2.406 1.00 0.00 N ATOM 1979 CA PHE B 41 -6.225 -5.849 2.339 1.00 0.00 C ATOM 1980 C PHE B 41 -5.651 -5.391 1.005 1.00 0.00 C ATOM 1981 O PHE B 41 -4.474 -5.605 0.725 1.00 0.00 O ATOM 1982 CB PHE B 41 -5.406 -5.265 3.490 1.00 0.00 C ATOM 1983 CG PHE B 41 -5.720 -5.875 4.832 1.00 0.00 C ATOM 1984 CD1 PHE B 41 -6.797 -5.430 5.574 1.00 0.00 C ATOM 1985 CD2 PHE B 41 -4.928 -6.889 5.352 1.00 0.00 C ATOM 1986 CE1 PHE B 41 -7.083 -5.981 6.808 1.00 0.00 C ATOM 1987 CE2 PHE B 41 -5.209 -7.446 6.585 1.00 0.00 C ATOM 1988 CZ PHE B 41 -6.290 -6.989 7.314 1.00 0.00 C ATOM 0 H PHE B 41 -5.386 -7.691 2.864 1.00 0.00 H new ATOM 0 HA PHE B 41 -7.253 -5.497 2.425 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -4.346 -5.405 3.277 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -5.582 -4.190 3.540 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -7.423 -4.641 5.184 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -4.081 -7.247 4.786 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -7.928 -5.622 7.377 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -4.586 -8.236 6.977 1.00 0.00 H new ATOM 0 HZ PHE B 41 -6.513 -7.421 8.278 1.00 0.00 H new ATOM 1998 N ASP B 42 -6.482 -4.777 0.185 1.00 0.00 N ATOM 1999 CA ASP B 42 -6.077 -4.362 -1.151 1.00 0.00 C ATOM 2000 C ASP B 42 -6.008 -2.842 -1.249 1.00 0.00 C ATOM 2001 O ASP B 42 -7.012 -2.146 -1.074 1.00 0.00 O ATOM 2002 CB ASP B 42 -7.060 -4.924 -2.187 1.00 0.00 C ATOM 2003 CG ASP B 42 -6.632 -4.667 -3.620 1.00 0.00 C ATOM 2004 OD1 ASP B 42 -5.602 -5.232 -4.049 1.00 0.00 O ATOM 2005 OD2 ASP B 42 -7.344 -3.928 -4.337 1.00 0.00 O ATOM 0 H ASP B 42 -7.449 -4.552 0.420 1.00 0.00 H new ATOM 0 HA ASP B 42 -5.081 -4.756 -1.354 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -7.165 -5.998 -2.033 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -8.042 -4.481 -2.023 1.00 0.00 H new ATOM 2010 N ILE B 43 -4.813 -2.333 -1.501 1.00 0.00 N ATOM 2011 CA ILE B 43 -4.605 -0.904 -1.679 1.00 0.00 C ATOM 2012 C ILE B 43 -4.745 -0.570 -3.153 1.00 0.00 C ATOM 2013 O ILE B 43 -3.858 -0.877 -3.947 1.00 0.00 O ATOM 2014 CB ILE B 43 -3.207 -0.468 -1.191 1.00 0.00 C ATOM 2015 CG1 ILE B 43 -2.971 -0.936 0.249 1.00 0.00 C ATOM 2016 CG2 ILE B 43 -3.057 1.046 -1.302 1.00 0.00 C ATOM 2017 CD1 ILE B 43 -1.602 -0.586 0.787 1.00 0.00 C ATOM 0 H ILE B 43 -3.965 -2.893 -1.588 1.00 0.00 H new ATOM 0 HA ILE B 43 -5.350 -0.371 -1.087 1.00 0.00 H new ATOM 0 HB ILE B 43 -2.454 -0.934 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -3.729 -0.492 0.894 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -3.105 -2.017 0.297 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -2.067 1.340 -0.955 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -3.181 1.349 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -3.816 1.533 -0.689 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -1.509 -0.949 1.810 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -0.837 -1.052 0.166 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -1.471 0.496 0.773 1.00 0.00 H new ATOM 2029 N ARG B 44 -5.856 0.045 -3.523 1.00 0.00 N ATOM 2030 CA ARG B 44 -6.197 0.179 -4.928 1.00 0.00 C ATOM 2031 C ARG B 44 -6.928 1.481 -5.227 1.00 0.00 C ATOM 2032 O ARG B 44 -7.651 2.022 -4.388 1.00 0.00 O ATOM 2033 CB ARG B 44 -7.056 -1.027 -5.331 1.00 0.00 C ATOM 2034 CG ARG B 44 -7.688 -0.945 -6.711 1.00 0.00 C ATOM 2035 CD ARG B 44 -8.515 -2.189 -7.010 1.00 0.00 C ATOM 2036 NE ARG B 44 -9.396 -2.544 -5.894 1.00 0.00 N ATOM 2037 CZ ARG B 44 -10.676 -2.889 -6.032 1.00 0.00 C ATOM 2038 NH1 ARG B 44 -11.213 -2.984 -7.244 1.00 0.00 N ATOM 2039 NH2 ARG B 44 -11.410 -3.169 -4.959 1.00 0.00 N ATOM 0 H ARG B 44 -6.530 0.455 -2.877 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.276 0.206 -5.510 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -6.438 -1.923 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -7.849 -1.149 -4.593 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -8.321 -0.060 -6.772 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -6.909 -0.832 -7.465 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -9.114 -2.020 -7.905 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -7.849 -3.024 -7.226 1.00 0.00 H new ATOM 0 HE ARG B 44 -9.005 -2.526 -4.952 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -10.645 -2.793 -8.070 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -12.193 -3.248 -7.348 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -10.994 -3.120 -4.029 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -12.389 -3.433 -5.066 1.00 0.00 H new ATOM 2053 N ALA B 45 -6.717 1.983 -6.434 1.00 0.00 N ATOM 2054 CA ALA B 45 -7.440 3.141 -6.924 1.00 0.00 C ATOM 2055 C ALA B 45 -8.584 2.685 -7.818 1.00 0.00 C ATOM 2056 O ALA B 45 -8.369 1.942 -8.776 1.00 0.00 O ATOM 2057 CB ALA B 45 -6.506 4.067 -7.690 1.00 0.00 C ATOM 0 H ALA B 45 -6.043 1.600 -7.097 1.00 0.00 H new ATOM 0 HA ALA B 45 -7.846 3.692 -6.076 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -7.065 4.931 -8.051 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -5.705 4.402 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.078 3.532 -8.538 1.00 0.00 H new ATOM 2063 N TRP B 46 -9.799 3.109 -7.504 1.00 0.00 N ATOM 2064 CA TRP B 46 -10.949 2.711 -8.302 1.00 0.00 C ATOM 2065 C TRP B 46 -11.476 3.883 -9.117 1.00 0.00 C ATOM 2066 O TRP B 46 -11.425 5.037 -8.688 1.00 0.00 O ATOM 2067 CB TRP B 46 -12.053 2.074 -7.441 1.00 0.00 C ATOM 2068 CG TRP B 46 -12.468 2.866 -6.237 1.00 0.00 C ATOM 2069 CD1 TRP B 46 -11.821 2.936 -5.037 1.00 0.00 C ATOM 2070 CD2 TRP B 46 -13.649 3.667 -6.104 1.00 0.00 C ATOM 2071 NE1 TRP B 46 -12.522 3.736 -4.170 1.00 0.00 N ATOM 2072 CE2 TRP B 46 -13.645 4.199 -4.802 1.00 0.00 C ATOM 2073 CE3 TRP B 46 -14.705 3.990 -6.961 1.00 0.00 C ATOM 2074 CZ2 TRP B 46 -14.655 5.033 -4.335 1.00 0.00 C ATOM 2075 CZ3 TRP B 46 -15.708 4.820 -6.495 1.00 0.00 C ATOM 2076 CH2 TRP B 46 -15.675 5.332 -5.193 1.00 0.00 C ATOM 0 H TRP B 46 -10.013 3.719 -6.715 1.00 0.00 H new ATOM 0 HA TRP B 46 -10.615 1.943 -9.000 1.00 0.00 H new ATOM 0 HB2 TRP B 46 -12.930 1.911 -8.067 1.00 0.00 H new ATOM 0 HB3 TRP B 46 -11.711 1.093 -7.110 1.00 0.00 H new ATOM 0 HD1 TRP B 46 -10.893 2.435 -4.804 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -12.251 3.951 -3.211 1.00 0.00 H new ATOM 0 HE3 TRP B 46 -14.737 3.599 -7.967 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 -14.634 5.430 -3.331 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -16.530 5.077 -7.146 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -16.474 5.978 -4.859 1.00 0.00 H new ATOM 2087 N SER B 47 -11.972 3.562 -10.299 1.00 0.00 N ATOM 2088 CA SER B 47 -12.341 4.555 -11.288 1.00 0.00 C ATOM 2089 C SER B 47 -13.746 4.276 -11.807 1.00 0.00 C ATOM 2090 O SER B 47 -14.244 3.157 -11.665 1.00 0.00 O ATOM 2091 CB SER B 47 -11.326 4.485 -12.438 1.00 0.00 C ATOM 2092 OG SER B 47 -11.709 5.281 -13.545 1.00 0.00 O ATOM 0 H SER B 47 -12.130 2.600 -10.600 1.00 0.00 H new ATOM 0 HA SER B 47 -12.334 5.551 -10.844 1.00 0.00 H new ATOM 0 HB2 SER B 47 -10.351 4.813 -12.079 1.00 0.00 H new ATOM 0 HB3 SER B 47 -11.216 3.449 -12.759 1.00 0.00 H new ATOM 0 HG SER B 47 -10.962 5.859 -13.806 1.00 0.00 H new ATOM 2202 N LYS B 55 -5.134 0.455 -10.935 1.00 0.00 N ATOM 2203 CA LYS B 55 -3.916 -0.052 -10.320 1.00 0.00 C ATOM 2204 C LYS B 55 -4.114 -0.263 -8.822 1.00 0.00 C ATOM 2205 O LYS B 55 -4.864 0.472 -8.173 1.00 0.00 O ATOM 2206 CB LYS B 55 -2.747 0.909 -10.561 1.00 0.00 C ATOM 2207 CG LYS B 55 -2.356 1.047 -12.027 1.00 0.00 C ATOM 2208 CD LYS B 55 -1.137 1.943 -12.192 1.00 0.00 C ATOM 2209 CE LYS B 55 -0.695 2.053 -13.648 1.00 0.00 C ATOM 2210 NZ LYS B 55 -1.690 2.771 -14.490 1.00 0.00 N ATOM 0 HA LYS B 55 -3.683 -1.012 -10.781 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -3.011 1.892 -10.171 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -1.882 0.563 -9.995 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -2.145 0.062 -12.444 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -3.192 1.459 -12.591 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -1.364 2.937 -11.807 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -0.315 1.550 -11.593 1.00 0.00 H new ATOM 0 HE2 LYS B 55 0.261 2.574 -13.696 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -0.534 1.054 -14.053 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -1.322 2.865 -15.458 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -2.581 2.235 -14.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -1.863 3.716 -14.093 1.00 0.00 H new ATOM 2224 N GLY B 56 -3.440 -1.272 -8.284 1.00 0.00 N ATOM 2225 CA GLY B 56 -3.542 -1.572 -6.873 1.00 0.00 C ATOM 2226 C GLY B 56 -2.718 -2.787 -6.494 1.00 0.00 C ATOM 2227 O GLY B 56 -2.244 -3.513 -7.372 1.00 0.00 O ATOM 0 H GLY B 56 -2.820 -1.891 -8.807 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -3.208 -0.711 -6.293 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -4.586 -1.746 -6.613 1.00 0.00 H new ATOM 2231 N ILE B 57 -2.552 -3.013 -5.199 1.00 0.00 N ATOM 2232 CA ILE B 57 -1.764 -4.134 -4.713 1.00 0.00 C ATOM 2233 C ILE B 57 -2.378 -4.718 -3.436 1.00 0.00 C ATOM 2234 O ILE B 57 -2.798 -3.985 -2.539 1.00 0.00 O ATOM 2235 CB ILE B 57 -0.295 -3.721 -4.464 1.00 0.00 C ATOM 2236 CG1 ILE B 57 0.536 -4.927 -4.024 1.00 0.00 C ATOM 2237 CG2 ILE B 57 -0.211 -2.601 -3.434 1.00 0.00 C ATOM 2238 CD1 ILE B 57 2.021 -4.651 -3.953 1.00 0.00 C ATOM 0 H ILE B 57 -2.955 -2.432 -4.464 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.773 -4.903 -5.485 1.00 0.00 H new ATOM 0 HB ILE B 57 0.116 -3.346 -5.402 1.00 0.00 H new ATOM 0 HG12 ILE B 57 0.190 -5.257 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.361 -5.749 -4.718 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.833 -2.329 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -0.762 -1.733 -3.795 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -0.644 -2.939 -2.492 1.00 0.00 H new ATOM 0 HD11 ILE B 57 2.544 -5.553 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE B 57 2.383 -4.350 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE B 57 2.208 -3.851 -3.237 1.00 0.00 H new ATOM 2250 N THR B 58 -2.439 -6.042 -3.373 1.00 0.00 N ATOM 2251 CA THR B 58 -3.069 -6.730 -2.259 1.00 0.00 C ATOM 2252 C THR B 58 -2.029 -7.168 -1.223 1.00 0.00 C ATOM 2253 O THR B 58 -0.927 -7.603 -1.575 1.00 0.00 O ATOM 2254 CB THR B 58 -3.845 -7.958 -2.775 1.00 0.00 C ATOM 2255 OG1 THR B 58 -4.565 -7.607 -3.965 1.00 0.00 O ATOM 2256 CG2 THR B 58 -4.820 -8.470 -1.726 1.00 0.00 C ATOM 0 H THR B 58 -2.056 -6.662 -4.087 1.00 0.00 H new ATOM 0 HA THR B 58 -3.760 -6.039 -1.777 1.00 0.00 H new ATOM 0 HB THR B 58 -3.127 -8.749 -2.994 1.00 0.00 H new ATOM 0 HG1 THR B 58 -4.688 -6.635 -3.998 1.00 0.00 H new ATOM 0 HG21 THR B 58 -5.353 -9.336 -2.117 1.00 0.00 H new ATOM 0 HG22 THR B 58 -4.272 -8.756 -0.829 1.00 0.00 H new ATOM 0 HG23 THR B 58 -5.535 -7.685 -1.479 1.00 0.00 H new ATOM 2264 N LEU B 59 -2.376 -7.029 0.052 1.00 0.00 N ATOM 2265 CA LEU B 59 -1.490 -7.400 1.145 1.00 0.00 C ATOM 2266 C LEU B 59 -2.172 -8.397 2.082 1.00 0.00 C ATOM 2267 O LEU B 59 -3.358 -8.264 2.389 1.00 0.00 O ATOM 2268 CB LEU B 59 -1.077 -6.155 1.939 1.00 0.00 C ATOM 2269 CG LEU B 59 -0.364 -5.065 1.134 1.00 0.00 C ATOM 2270 CD1 LEU B 59 -0.091 -3.850 2.004 1.00 0.00 C ATOM 2271 CD2 LEU B 59 0.937 -5.591 0.554 1.00 0.00 C ATOM 0 H LEU B 59 -3.276 -6.657 0.354 1.00 0.00 H new ATOM 0 HA LEU B 59 -0.604 -7.868 0.717 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.969 -5.722 2.392 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -0.424 -6.466 2.754 1.00 0.00 H new ATOM 0 HG LEU B 59 -1.018 -4.769 0.314 1.00 0.00 H new ATOM 0 HD11 LEU B 59 0.416 -3.087 1.414 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -1.034 -3.452 2.379 1.00 0.00 H new ATOM 0 HD13 LEU B 59 0.541 -4.139 2.844 1.00 0.00 H new ATOM 0 HD21 LEU B 59 1.428 -4.801 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU B 59 1.591 -5.916 1.363 1.00 0.00 H new ATOM 0 HD23 LEU B 59 0.727 -6.434 -0.104 1.00 0.00 H new ATOM 2283 N SER B 60 -1.423 -9.397 2.523 1.00 0.00 N ATOM 2284 CA SER B 60 -1.925 -10.369 3.485 1.00 0.00 C ATOM 2285 C SER B 60 -1.795 -9.811 4.903 1.00 0.00 C ATOM 2286 O SER B 60 -1.152 -8.780 5.099 1.00 0.00 O ATOM 2287 CB SER B 60 -1.146 -11.678 3.351 1.00 0.00 C ATOM 2288 OG SER B 60 -1.043 -12.074 1.988 1.00 0.00 O ATOM 0 H SER B 60 -0.460 -9.558 2.228 1.00 0.00 H new ATOM 0 HA SER B 60 -2.978 -10.566 3.284 1.00 0.00 H new ATOM 0 HB2 SER B 60 -0.149 -11.557 3.774 1.00 0.00 H new ATOM 0 HB3 SER B 60 -1.643 -12.461 3.924 1.00 0.00 H new ATOM 0 HG SER B 60 -0.364 -11.528 1.539 1.00 0.00 H new ATOM 2294 N ASN B 61 -2.384 -10.494 5.884 1.00 0.00 N ATOM 2295 CA ASN B 61 -2.397 -10.007 7.269 1.00 0.00 C ATOM 2296 C ASN B 61 -0.981 -9.734 7.790 1.00 0.00 C ATOM 2297 O ASN B 61 -0.725 -8.682 8.380 1.00 0.00 O ATOM 2298 CB ASN B 61 -3.134 -10.994 8.197 1.00 0.00 C ATOM 2299 CG ASN B 61 -2.470 -12.359 8.299 1.00 0.00 C ATOM 2300 OD1 ASN B 61 -1.802 -12.813 7.371 1.00 0.00 O ATOM 2301 ND2 ASN B 61 -2.663 -13.034 9.419 1.00 0.00 N ATOM 0 H ASN B 61 -2.859 -11.386 5.749 1.00 0.00 H new ATOM 0 HA ASN B 61 -2.939 -9.061 7.271 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -3.201 -10.558 9.194 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -4.154 -11.123 7.836 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -2.252 -13.961 9.533 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -3.222 -12.628 10.169 1.00 0.00 H new ATOM 2308 N GLU B 62 -0.066 -10.671 7.561 1.00 0.00 N ATOM 2309 CA GLU B 62 1.325 -10.513 7.978 1.00 0.00 C ATOM 2310 C GLU B 62 1.963 -9.315 7.284 1.00 0.00 C ATOM 2311 O GLU B 62 2.472 -8.399 7.932 1.00 0.00 O ATOM 2312 CB GLU B 62 2.127 -11.773 7.648 1.00 0.00 C ATOM 2313 CG GLU B 62 3.610 -11.649 7.967 1.00 0.00 C ATOM 2314 CD GLU B 62 4.420 -12.815 7.450 1.00 0.00 C ATOM 2315 OE1 GLU B 62 4.471 -13.856 8.136 1.00 0.00 O ATOM 2316 OE2 GLU B 62 5.017 -12.698 6.359 1.00 0.00 O ATOM 0 H GLU B 62 -0.263 -11.552 7.087 1.00 0.00 H new ATOM 0 HA GLU B 62 1.336 -10.348 9.055 1.00 0.00 H new ATOM 0 HB2 GLU B 62 1.713 -12.614 8.204 1.00 0.00 H new ATOM 0 HB3 GLU B 62 2.009 -12.002 6.589 1.00 0.00 H new ATOM 0 HG2 GLU B 62 3.994 -10.725 7.534 1.00 0.00 H new ATOM 0 HG3 GLU B 62 3.740 -11.573 9.047 1.00 0.00 H new ATOM 2323 N GLU B 63 1.910 -9.333 5.962 1.00 0.00 N ATOM 2324 CA GLU B 63 2.547 -8.317 5.133 1.00 0.00 C ATOM 2325 C GLU B 63 2.005 -6.929 5.466 1.00 0.00 C ATOM 2326 O GLU B 63 2.749 -5.947 5.528 1.00 0.00 O ATOM 2327 CB GLU B 63 2.292 -8.649 3.665 1.00 0.00 C ATOM 2328 CG GLU B 63 2.453 -10.131 3.350 1.00 0.00 C ATOM 2329 CD GLU B 63 2.044 -10.476 1.935 1.00 0.00 C ATOM 2330 OE1 GLU B 63 0.914 -10.127 1.536 1.00 0.00 O ATOM 2331 OE2 GLU B 63 2.841 -11.101 1.211 1.00 0.00 O ATOM 0 H GLU B 63 1.423 -10.054 5.430 1.00 0.00 H new ATOM 0 HA GLU B 63 3.619 -8.311 5.329 1.00 0.00 H new ATOM 0 HB2 GLU B 63 1.283 -8.334 3.398 1.00 0.00 H new ATOM 0 HB3 GLU B 63 2.980 -8.075 3.044 1.00 0.00 H new ATOM 0 HG2 GLU B 63 3.493 -10.420 3.504 1.00 0.00 H new ATOM 0 HG3 GLU B 63 1.854 -10.714 4.049 1.00 0.00 H new ATOM 2338 N PHE B 64 0.703 -6.869 5.704 1.00 0.00 N ATOM 2339 CA PHE B 64 0.034 -5.626 6.033 1.00 0.00 C ATOM 2340 C PHE B 64 0.549 -5.087 7.364 1.00 0.00 C ATOM 2341 O PHE B 64 0.994 -3.945 7.445 1.00 0.00 O ATOM 2342 CB PHE B 64 -1.474 -5.860 6.102 1.00 0.00 C ATOM 2343 CG PHE B 64 -2.294 -4.617 5.932 1.00 0.00 C ATOM 2344 CD1 PHE B 64 -2.383 -3.998 4.697 1.00 0.00 C ATOM 2345 CD2 PHE B 64 -2.991 -4.078 6.998 1.00 0.00 C ATOM 2346 CE1 PHE B 64 -3.149 -2.865 4.528 1.00 0.00 C ATOM 2347 CE2 PHE B 64 -3.758 -2.943 6.837 1.00 0.00 C ATOM 2348 CZ PHE B 64 -3.838 -2.336 5.598 1.00 0.00 C ATOM 0 H PHE B 64 0.085 -7.680 5.674 1.00 0.00 H new ATOM 0 HA PHE B 64 0.245 -4.889 5.258 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -1.755 -6.577 5.330 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -1.717 -6.314 7.063 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -1.845 -4.408 3.855 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -2.934 -4.551 7.967 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -3.209 -2.392 3.559 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -4.295 -2.529 7.678 1.00 0.00 H new ATOM 0 HZ PHE B 64 -4.440 -1.448 5.468 1.00 0.00 H new ATOM 2358 N GLN B 65 0.513 -5.923 8.399 1.00 0.00 N ATOM 2359 CA GLN B 65 0.998 -5.530 9.721 1.00 0.00 C ATOM 2360 C GLN B 65 2.471 -5.139 9.677 1.00 0.00 C ATOM 2361 O GLN B 65 2.914 -4.295 10.455 1.00 0.00 O ATOM 2362 CB GLN B 65 0.789 -6.656 10.736 1.00 0.00 C ATOM 2363 CG GLN B 65 -0.609 -6.692 11.334 1.00 0.00 C ATOM 2364 CD GLN B 65 -0.789 -5.731 12.502 1.00 0.00 C ATOM 2365 OE1 GLN B 65 -0.035 -4.640 12.517 1.00 0.00 O flip ATOM 2366 NE2 GLN B 65 -1.592 -5.977 13.398 1.00 0.00 N flip ATOM 0 H GLN B 65 0.153 -6.876 8.349 1.00 0.00 H new ATOM 0 HA GLN B 65 0.420 -4.661 10.034 1.00 0.00 H new ATOM 0 HB2 GLN B 65 0.992 -7.611 10.252 1.00 0.00 H new ATOM 0 HB3 GLN B 65 1.516 -6.546 11.541 1.00 0.00 H new ATOM 0 HG2 GLN B 65 -1.335 -6.450 10.558 1.00 0.00 H new ATOM 0 HG3 GLN B 65 -0.827 -7.706 11.670 1.00 0.00 H new ATOM 0 HE21 GLN B 65 -2.158 -6.825 13.357 1.00 0.00 H new ATOM 0 HE22 GLN B 65 -1.693 -5.333 14.183 1.00 0.00 H new ATOM 2375 N THR B 66 3.215 -5.751 8.763 1.00 0.00 N ATOM 2376 CA THR B 66 4.628 -5.444 8.592 1.00 0.00 C ATOM 2377 C THR B 66 4.821 -3.969 8.233 1.00 0.00 C ATOM 2378 O THR B 66 5.600 -3.261 8.882 1.00 0.00 O ATOM 2379 CB THR B 66 5.267 -6.341 7.508 1.00 0.00 C ATOM 2380 OG1 THR B 66 5.056 -7.723 7.833 1.00 0.00 O ATOM 2381 CG2 THR B 66 6.762 -6.079 7.386 1.00 0.00 C ATOM 0 H THR B 66 2.860 -6.465 8.127 1.00 0.00 H new ATOM 0 HA THR B 66 5.127 -5.644 9.540 1.00 0.00 H new ATOM 0 HB THR B 66 4.793 -6.105 6.555 1.00 0.00 H new ATOM 0 HG1 THR B 66 4.094 -7.910 7.856 1.00 0.00 H new ATOM 0 HG21 THR B 66 7.183 -6.725 6.616 1.00 0.00 H new ATOM 0 HG22 THR B 66 6.928 -5.036 7.116 1.00 0.00 H new ATOM 0 HG23 THR B 66 7.247 -6.288 8.340 1.00 0.00 H new ATOM 2389 N MET B 67 4.093 -3.500 7.222 1.00 0.00 N ATOM 2390 CA MET B 67 4.190 -2.100 6.818 1.00 0.00 C ATOM 2391 C MET B 67 3.641 -1.196 7.920 1.00 0.00 C ATOM 2392 O MET B 67 4.176 -0.119 8.180 1.00 0.00 O ATOM 2393 CB MET B 67 3.436 -1.844 5.500 1.00 0.00 C ATOM 2394 CG MET B 67 1.929 -1.697 5.655 1.00 0.00 C ATOM 2395 SD MET B 67 1.120 -1.099 4.160 1.00 0.00 S ATOM 2396 CE MET B 67 -0.503 -0.707 4.807 1.00 0.00 C ATOM 0 H MET B 67 3.439 -4.059 6.675 1.00 0.00 H new ATOM 0 HA MET B 67 5.243 -1.869 6.654 1.00 0.00 H new ATOM 0 HB2 MET B 67 3.831 -0.939 5.040 1.00 0.00 H new ATOM 0 HB3 MET B 67 3.640 -2.666 4.814 1.00 0.00 H new ATOM 0 HG2 MET B 67 1.502 -2.661 5.931 1.00 0.00 H new ATOM 0 HG3 MET B 67 1.719 -1.009 6.474 1.00 0.00 H new ATOM 0 HE1 MET B 67 -1.234 -0.737 3.999 1.00 0.00 H new ATOM 0 HE2 MET B 67 -0.776 -1.436 5.570 1.00 0.00 H new ATOM 0 HE3 MET B 67 -0.488 0.290 5.246 1.00 0.00 H new ATOM 2406 N VAL B 68 2.590 -1.668 8.587 1.00 0.00 N ATOM 2407 CA VAL B 68 1.910 -0.897 9.620 1.00 0.00 C ATOM 2408 C VAL B 68 2.854 -0.572 10.776 1.00 0.00 C ATOM 2409 O VAL B 68 2.851 0.544 11.283 1.00 0.00 O ATOM 2410 CB VAL B 68 0.654 -1.656 10.113 1.00 0.00 C ATOM 2411 CG1 VAL B 68 0.010 -0.989 11.321 1.00 0.00 C ATOM 2412 CG2 VAL B 68 -0.348 -1.752 8.977 1.00 0.00 C ATOM 0 H VAL B 68 2.189 -2.592 8.426 1.00 0.00 H new ATOM 0 HA VAL B 68 1.589 0.051 9.189 1.00 0.00 H new ATOM 0 HB VAL B 68 0.967 -2.652 10.428 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -0.866 -1.560 11.628 1.00 0.00 H new ATOM 0 HG12 VAL B 68 0.726 -0.954 12.142 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.291 0.025 11.059 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -1.235 -2.286 9.318 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -0.629 -0.750 8.654 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.100 -2.290 8.141 1.00 0.00 H new ATOM 2422 N ASP B 69 3.689 -1.534 11.159 1.00 0.00 N ATOM 2423 CA ASP B 69 4.677 -1.317 12.219 1.00 0.00 C ATOM 2424 C ASP B 69 5.738 -0.313 11.779 1.00 0.00 C ATOM 2425 O ASP B 69 6.035 0.650 12.496 1.00 0.00 O ATOM 2426 CB ASP B 69 5.358 -2.632 12.615 1.00 0.00 C ATOM 2427 CG ASP B 69 6.580 -2.414 13.498 1.00 0.00 C ATOM 2428 OD1 ASP B 69 6.413 -2.210 14.720 1.00 0.00 O ATOM 2429 OD2 ASP B 69 7.714 -2.443 12.970 1.00 0.00 O ATOM 0 H ASP B 69 3.704 -2.470 10.754 1.00 0.00 H new ATOM 0 HA ASP B 69 4.144 -0.919 13.082 1.00 0.00 H new ATOM 0 HB2 ASP B 69 4.642 -3.264 13.141 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.656 -3.169 11.714 1.00 0.00 H new ATOM 2434 N ALA B 70 6.291 -0.540 10.592 1.00 0.00 N ATOM 2435 CA ALA B 70 7.395 0.271 10.089 1.00 0.00 C ATOM 2436 C ALA B 70 7.004 1.735 9.921 1.00 0.00 C ATOM 2437 O ALA B 70 7.684 2.622 10.438 1.00 0.00 O ATOM 2438 CB ALA B 70 7.909 -0.285 8.774 1.00 0.00 C ATOM 0 H ALA B 70 5.992 -1.281 9.958 1.00 0.00 H new ATOM 0 HA ALA B 70 8.190 0.226 10.834 1.00 0.00 H new ATOM 0 HB1 ALA B 70 8.732 0.333 8.415 1.00 0.00 H new ATOM 0 HB2 ALA B 70 8.260 -1.306 8.923 1.00 0.00 H new ATOM 0 HB3 ALA B 70 7.105 -0.282 8.038 1.00 0.00 H new ATOM 2444 N PHE B 71 5.909 1.992 9.208 1.00 0.00 N ATOM 2445 CA PHE B 71 5.482 3.363 8.950 1.00 0.00 C ATOM 2446 C PHE B 71 5.008 4.029 10.237 1.00 0.00 C ATOM 2447 O PHE B 71 5.167 5.240 10.408 1.00 0.00 O ATOM 2448 CB PHE B 71 4.382 3.410 7.888 1.00 0.00 C ATOM 2449 CG PHE B 71 4.783 2.800 6.570 1.00 0.00 C ATOM 2450 CD1 PHE B 71 5.968 3.161 5.936 1.00 0.00 C ATOM 2451 CD2 PHE B 71 3.970 1.860 5.963 1.00 0.00 C ATOM 2452 CE1 PHE B 71 6.324 2.589 4.732 1.00 0.00 C ATOM 2453 CE2 PHE B 71 4.325 1.289 4.760 1.00 0.00 C ATOM 2454 CZ PHE B 71 5.502 1.653 4.145 1.00 0.00 C ATOM 0 H PHE B 71 5.307 1.275 8.803 1.00 0.00 H new ATOM 0 HA PHE B 71 6.342 3.914 8.569 1.00 0.00 H new ATOM 0 HB2 PHE B 71 3.502 2.889 8.266 1.00 0.00 H new ATOM 0 HB3 PHE B 71 4.092 4.448 7.724 1.00 0.00 H new ATOM 0 HD1 PHE B 71 6.615 3.896 6.391 1.00 0.00 H new ATOM 0 HD2 PHE B 71 3.045 1.570 6.438 1.00 0.00 H new ATOM 0 HE1 PHE B 71 7.247 2.875 4.250 1.00 0.00 H new ATOM 0 HE2 PHE B 71 3.680 0.556 4.299 1.00 0.00 H new ATOM 0 HZ PHE B 71 5.780 1.205 3.203 1.00 0.00 H new ATOM 2464 N LYS B 72 4.444 3.228 11.141 1.00 0.00 N ATOM 2465 CA LYS B 72 4.021 3.712 12.455 1.00 0.00 C ATOM 2466 C LYS B 72 5.178 4.399 13.174 1.00 0.00 C ATOM 2467 O LYS B 72 5.014 5.458 13.777 1.00 0.00 O ATOM 2468 CB LYS B 72 3.515 2.545 13.308 1.00 0.00 C ATOM 2469 CG LYS B 72 3.097 2.937 14.713 1.00 0.00 C ATOM 2470 CD LYS B 72 2.810 1.713 15.566 1.00 0.00 C ATOM 2471 CE LYS B 72 2.375 2.109 16.962 1.00 0.00 C ATOM 2472 NZ LYS B 72 2.268 0.935 17.865 1.00 0.00 N ATOM 0 H LYS B 72 4.269 2.235 10.986 1.00 0.00 H new ATOM 0 HA LYS B 72 3.216 4.433 12.309 1.00 0.00 H new ATOM 0 HB2 LYS B 72 2.666 2.083 12.804 1.00 0.00 H new ATOM 0 HB3 LYS B 72 4.298 1.790 13.371 1.00 0.00 H new ATOM 0 HG2 LYS B 72 3.885 3.529 15.177 1.00 0.00 H new ATOM 0 HG3 LYS B 72 2.209 3.568 14.668 1.00 0.00 H new ATOM 0 HD2 LYS B 72 2.031 1.113 15.096 1.00 0.00 H new ATOM 0 HD3 LYS B 72 3.702 1.089 15.623 1.00 0.00 H new ATOM 0 HE2 LYS B 72 3.089 2.821 17.376 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.412 2.617 16.911 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 1.369 0.979 18.386 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 2.300 0.061 17.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 3.060 0.942 18.539 1.00 0.00 H new ATOM 2486 N GLY B 73 6.349 3.787 13.095 1.00 0.00 N ATOM 2487 CA GLY B 73 7.518 4.343 13.743 1.00 0.00 C ATOM 2488 C GLY B 73 8.408 5.105 12.783 1.00 0.00 C ATOM 2489 O GLY B 73 9.611 5.221 13.011 1.00 0.00 O ATOM 0 H GLY B 73 6.511 2.914 12.593 1.00 0.00 H new ATOM 0 HA2 GLY B 73 7.202 5.009 14.546 1.00 0.00 H new ATOM 0 HA3 GLY B 73 8.091 3.538 14.203 1.00 0.00 H new ATOM 2493 N ASN B 74 7.824 5.624 11.709 1.00 0.00 N ATOM 2494 CA ASN B 74 8.593 6.353 10.706 1.00 0.00 C ATOM 2495 C ASN B 74 7.877 7.630 10.274 1.00 0.00 C ATOM 2496 O ASN B 74 8.374 8.734 10.496 1.00 0.00 O ATOM 2497 CB ASN B 74 8.859 5.469 9.480 1.00 0.00 C ATOM 2498 CG ASN B 74 9.698 6.171 8.425 1.00 0.00 C ATOM 2499 OD1 ASN B 74 9.174 6.861 7.551 1.00 0.00 O ATOM 2500 ND2 ASN B 74 11.007 5.991 8.494 1.00 0.00 N ATOM 0 H ASN B 74 6.826 5.555 11.510 1.00 0.00 H new ATOM 0 HA ASN B 74 9.544 6.629 11.162 1.00 0.00 H new ATOM 0 HB2 ASN B 74 9.367 4.558 9.797 1.00 0.00 H new ATOM 0 HB3 ASN B 74 7.908 5.167 9.041 1.00 0.00 H new ATOM 0 HD21 ASN B 74 11.619 6.432 7.807 1.00 0.00 H new ATOM 0 HD22 ASN B 74 11.404 5.412 9.234 1.00 0.00 H new ATOM 2507 N LEU B 75 6.697 7.477 9.681 1.00 0.00 N ATOM 2508 CA LEU B 75 6.002 8.605 9.072 1.00 0.00 C ATOM 2509 C LEU B 75 5.126 9.329 10.094 1.00 0.00 C ATOM 2510 O LEU B 75 4.451 10.309 9.771 1.00 0.00 O ATOM 2511 CB LEU B 75 5.174 8.130 7.873 1.00 0.00 C ATOM 2512 CG LEU B 75 4.716 9.232 6.908 1.00 0.00 C ATOM 2513 CD1 LEU B 75 5.904 10.066 6.454 1.00 0.00 C ATOM 2514 CD2 LEU B 75 4.012 8.623 5.704 1.00 0.00 C ATOM 0 H LEU B 75 6.204 6.587 9.609 1.00 0.00 H new ATOM 0 HA LEU B 75 6.746 9.318 8.717 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.762 7.402 7.313 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.293 7.609 8.246 1.00 0.00 H new ATOM 0 HG LEU B 75 4.014 9.880 7.432 1.00 0.00 H new ATOM 0 HD11 LEU B 75 5.563 10.843 5.770 1.00 0.00 H new ATOM 0 HD12 LEU B 75 6.377 10.527 7.321 1.00 0.00 H new ATOM 0 HD13 LEU B 75 6.625 9.426 5.945 1.00 0.00 H new ATOM 0 HD21 LEU B 75 3.693 9.417 5.029 1.00 0.00 H new ATOM 0 HD22 LEU B 75 4.697 7.956 5.181 1.00 0.00 H new ATOM 0 HD23 LEU B 75 3.141 8.060 6.038 1.00 0.00 H new ATOM 2526 N GLU B 76 5.131 8.836 11.325 1.00 0.00 N ATOM 2527 CA GLU B 76 4.498 9.545 12.426 1.00 0.00 C ATOM 2528 C GLU B 76 5.365 10.726 12.820 1.00 0.00 C ATOM 2529 O GLU B 76 6.481 10.551 13.315 1.00 0.00 O ATOM 2530 CB GLU B 76 4.280 8.612 13.624 1.00 0.00 C ATOM 2531 CG GLU B 76 3.947 9.327 14.934 1.00 0.00 C ATOM 2532 CD GLU B 76 2.747 10.251 14.839 1.00 0.00 C ATOM 2533 OE1 GLU B 76 1.601 9.755 14.845 1.00 0.00 O ATOM 2534 OE2 GLU B 76 2.944 11.481 14.779 1.00 0.00 O ATOM 0 H GLU B 76 5.565 7.950 11.585 1.00 0.00 H new ATOM 0 HA GLU B 76 3.520 9.904 12.105 1.00 0.00 H new ATOM 0 HB2 GLU B 76 3.472 7.920 13.387 1.00 0.00 H new ATOM 0 HB3 GLU B 76 5.179 8.013 13.770 1.00 0.00 H new ATOM 0 HG2 GLU B 76 3.760 8.581 15.707 1.00 0.00 H new ATOM 0 HG3 GLU B 76 4.815 9.905 15.253 1.00 0.00 H new