USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 618 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 135 GLN : amide:sc= 0.848 K(o=1.3,f=-0.53) USER MOD Set 1.2: B 139 GLN : amide:sc= 0.417 K(o=1.3,f=-0.53) USER MOD Single : A 15 SER OG : rot 70:sc= 0.75 USER MOD Single : A 20 GLN : amide:sc= 0.0521 X(o=0.052,f=0) USER MOD Single : A 22 MET CE :methyl -155:sc= -0.637 (180deg=-2.67!) USER MOD Single : A 34 MET CE :methyl -172:sc=-0.00387 (180deg=-0.199) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 76:sc= 0.204 USER MOD Single : A 46 THR OG1 : rot 70:sc= 0.436 USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 1.27 (180deg=0.998) USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 1.08 (180deg=0.799) USER MOD Single : A 55 ASN : amide:sc= -0.0438 K(o=-0.044,f=-1.7!) USER MOD Single : B 115 SER OG : rot -129:sc= 0.56 USER MOD Single : B 120 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 122 MET CE :methyl 163:sc= -0.0368 (180deg=-0.469) USER MOD Single : B 133 SER OG : rot 180:sc= 0 USER MOD Single : B 134 MET CE :methyl 157:sc= -0.0484 (180deg=-0.387) USER MOD Single : B 138 GLN : amide:sc=-0.00882 X(o=-0.0088,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 144 SER OG : rot -110:sc= 0 USER MOD Single : B 146 THR OG1 : rot 76:sc= 0.0267 USER MOD Single : B 149 LYS NZ :NH3+ -158:sc= 1.25 (180deg=1.06) USER MOD Single : B 152 LYS NZ :NH3+ -159:sc= 2.46 (180deg=1.99) USER MOD Single : B 155 ASN : amide:sc= -0.0231 K(o=-0.023,f=-1.2!) USER MOD Single : B 156 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.066 12.471 0.338 1.00 0.00 N ATOM 115 CA PRO A 10 -10.142 11.631 -0.193 1.00 0.00 C ATOM 116 C PRO A 10 -9.633 10.359 -0.892 1.00 0.00 C ATOM 117 O PRO A 10 -8.472 10.275 -1.299 1.00 0.00 O ATOM 118 CB PRO A 10 -10.923 12.529 -1.165 1.00 0.00 C ATOM 119 CG PRO A 10 -9.860 13.503 -1.662 1.00 0.00 C ATOM 120 CD PRO A 10 -8.990 13.715 -0.426 1.00 0.00 C ATOM 0 HA PRO A 10 -10.767 11.260 0.619 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.359 11.955 -1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.743 13.046 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.288 13.089 -2.492 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.299 14.437 -2.012 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.961 13.938 -0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.349 14.558 0.164 1.00 0.00 H new ATOM 128 N ILE A 11 -10.532 9.385 -1.080 1.00 0.00 N ATOM 129 CA ILE A 11 -10.210 8.097 -1.712 1.00 0.00 C ATOM 130 C ILE A 11 -9.646 8.240 -3.134 1.00 0.00 C ATOM 131 O ILE A 11 -8.715 7.528 -3.494 1.00 0.00 O ATOM 132 CB ILE A 11 -11.418 7.138 -1.662 1.00 0.00 C ATOM 133 CG1 ILE A 11 -10.992 5.743 -2.169 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.647 7.641 -2.442 1.00 0.00 C ATOM 135 CD1 ILE A 11 -11.889 4.636 -1.618 1.00 0.00 C ATOM 0 H ILE A 11 -11.508 9.467 -0.797 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.405 7.656 -1.124 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.731 7.084 -0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.025 5.728 -3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.959 5.551 -1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.454 6.913 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.975 8.595 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.383 7.772 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.554 3.672 -2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.836 4.633 -0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.918 4.812 -1.931 1.00 0.00 H new ATOM 147 N ASP A 12 -10.147 9.198 -3.924 1.00 0.00 N ATOM 148 CA ASP A 12 -9.681 9.446 -5.298 1.00 0.00 C ATOM 149 C ASP A 12 -8.209 9.888 -5.354 1.00 0.00 C ATOM 150 O ASP A 12 -7.520 9.604 -6.334 1.00 0.00 O ATOM 151 CB ASP A 12 -10.567 10.503 -5.978 1.00 0.00 C ATOM 152 CG ASP A 12 -12.059 10.126 -6.113 1.00 0.00 C ATOM 153 OD1 ASP A 12 -12.395 8.914 -6.132 1.00 0.00 O ATOM 154 OD2 ASP A 12 -12.903 11.046 -6.245 1.00 0.00 O1- ATOM 0 H ASP A 12 -10.892 9.828 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.757 8.499 -5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.494 11.432 -5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.168 10.702 -6.973 1.00 0.00 H new ATOM 159 N GLU A 13 -7.704 10.556 -4.308 1.00 0.00 N ATOM 160 CA GLU A 13 -6.307 10.982 -4.214 1.00 0.00 C ATOM 161 C GLU A 13 -5.382 9.793 -3.893 1.00 0.00 C ATOM 162 O GLU A 13 -4.462 9.517 -4.664 1.00 0.00 O ATOM 163 CB GLU A 13 -6.211 12.128 -3.193 1.00 0.00 C ATOM 164 CG GLU A 13 -4.802 12.708 -2.994 1.00 0.00 C ATOM 165 CD GLU A 13 -4.318 13.635 -4.139 1.00 0.00 C ATOM 166 OE1 GLU A 13 -3.351 14.400 -3.905 1.00 0.00 O ATOM 167 OE2 GLU A 13 -4.889 13.622 -5.259 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.263 10.817 -3.496 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.960 11.360 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.876 12.932 -3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.578 11.769 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.782 13.267 -2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.096 11.884 -2.888 1.00 0.00 H new ATOM 174 N LEU A 14 -5.645 9.037 -2.822 1.00 0.00 N ATOM 175 CA LEU A 14 -4.830 7.862 -2.475 1.00 0.00 C ATOM 176 C LEU A 14 -4.909 6.750 -3.545 1.00 0.00 C ATOM 177 O LEU A 14 -3.903 6.082 -3.812 1.00 0.00 O ATOM 178 CB LEU A 14 -5.110 7.365 -1.036 1.00 0.00 C ATOM 179 CG LEU A 14 -6.575 7.134 -0.611 1.00 0.00 C ATOM 180 CD1 LEU A 14 -7.082 5.752 -1.010 1.00 0.00 C ATOM 181 CD2 LEU A 14 -6.712 7.204 0.907 1.00 0.00 C ATOM 0 H LEU A 14 -6.416 9.216 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.788 8.183 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.573 6.427 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.674 8.086 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.152 7.911 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.117 5.638 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.023 5.642 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.468 4.988 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.753 7.039 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.087 6.437 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.394 8.187 1.256 1.00 0.00 H new ATOM 193 N SER A 15 -6.052 6.606 -4.218 1.00 0.00 N ATOM 194 CA SER A 15 -6.250 5.702 -5.359 1.00 0.00 C ATOM 195 C SER A 15 -5.412 6.085 -6.588 1.00 0.00 C ATOM 196 O SER A 15 -4.951 5.210 -7.327 1.00 0.00 O ATOM 197 CB SER A 15 -7.742 5.682 -5.720 1.00 0.00 C ATOM 198 OG SER A 15 -8.005 4.807 -6.797 1.00 0.00 O ATOM 0 H SER A 15 -6.893 7.130 -3.979 1.00 0.00 H new ATOM 0 HA SER A 15 -5.911 4.711 -5.058 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.323 5.375 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.067 6.689 -5.981 1.00 0.00 H new ATOM 0 HG SER A 15 -7.884 3.880 -6.502 1.00 0.00 H new ATOM 204 N ALA A 16 -5.150 7.382 -6.806 1.00 0.00 N ATOM 205 CA ALA A 16 -4.213 7.862 -7.827 1.00 0.00 C ATOM 206 C ALA A 16 -2.744 7.753 -7.380 1.00 0.00 C ATOM 207 O ALA A 16 -1.877 7.427 -8.193 1.00 0.00 O ATOM 208 CB ALA A 16 -4.562 9.313 -8.180 1.00 0.00 C ATOM 0 H ALA A 16 -5.588 8.133 -6.272 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.315 7.225 -8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.871 9.679 -8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.581 9.359 -8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.483 9.934 -7.287 1.00 0.00 H new ATOM 214 N LEU A 17 -2.440 8.038 -6.111 1.00 0.00 N ATOM 215 CA LEU A 17 -1.080 8.032 -5.570 1.00 0.00 C ATOM 216 C LEU A 17 -0.471 6.622 -5.551 1.00 0.00 C ATOM 217 O LEU A 17 0.699 6.485 -5.912 1.00 0.00 O ATOM 218 CB LEU A 17 -1.068 8.691 -4.176 1.00 0.00 C ATOM 219 CG LEU A 17 -0.608 10.157 -4.183 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.453 11.079 -5.059 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.625 10.711 -2.758 1.00 0.00 C ATOM 0 H LEU A 17 -3.147 8.284 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.445 8.621 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.070 8.637 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.413 8.118 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 17 0.397 10.143 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.059 12.094 -5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.420 10.731 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.484 11.071 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.298 11.751 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.637 10.653 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.048 10.125 -2.132 1.00 0.00 H new ATOM 233 N LEU A 18 -1.228 5.572 -5.217 1.00 0.00 N ATOM 234 CA LEU A 18 -0.712 4.193 -5.262 1.00 0.00 C ATOM 235 C LEU A 18 -0.295 3.780 -6.688 1.00 0.00 C ATOM 236 O LEU A 18 0.748 3.156 -6.880 1.00 0.00 O ATOM 237 CB LEU A 18 -1.704 3.220 -4.583 1.00 0.00 C ATOM 238 CG LEU A 18 -2.984 2.866 -5.378 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.809 1.610 -6.239 1.00 0.00 C ATOM 240 CD2 LEU A 18 -4.162 2.587 -4.442 1.00 0.00 C ATOM 0 H LEU A 18 -2.199 5.647 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 18 0.209 4.143 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.174 2.294 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.005 3.652 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.176 3.733 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.735 1.405 -6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.002 1.769 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.565 0.762 -5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.045 2.342 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.917 1.749 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.364 3.471 -3.837 1.00 0.00 H new ATOM 252 N ARG A 19 -1.070 4.185 -7.702 1.00 0.00 N ATOM 253 CA ARG A 19 -0.787 3.907 -9.124 1.00 0.00 C ATOM 254 C ARG A 19 0.445 4.678 -9.610 1.00 0.00 C ATOM 255 O ARG A 19 1.306 4.104 -10.270 1.00 0.00 O ATOM 256 CB ARG A 19 -2.027 4.232 -9.979 1.00 0.00 C ATOM 257 CG ARG A 19 -3.246 3.382 -9.594 1.00 0.00 C ATOM 258 CD ARG A 19 -4.443 3.711 -10.499 1.00 0.00 C ATOM 259 NE ARG A 19 -5.696 3.724 -9.731 1.00 0.00 N ATOM 260 CZ ARG A 19 -6.904 3.406 -10.151 1.00 0.00 C ATOM 261 NH1 ARG A 19 -7.163 3.019 -11.364 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -7.910 3.493 -9.339 1.00 0.00 N ATOM 0 H ARG A 19 -1.925 4.723 -7.560 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.561 2.846 -9.231 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.275 5.288 -9.868 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.792 4.069 -11.031 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.999 2.324 -9.679 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.510 3.565 -8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.291 4.682 -10.970 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.511 2.975 -11.300 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.622 4.014 -8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.410 2.948 -12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.119 2.786 -11.632 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.765 3.807 -8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.847 3.248 -9.660 1.00 0.00 H new ATOM 276 N GLN A 20 0.559 5.950 -9.236 1.00 0.00 N ATOM 277 CA GLN A 20 1.716 6.798 -9.554 1.00 0.00 C ATOM 278 C GLN A 20 3.004 6.373 -8.818 1.00 0.00 C ATOM 279 O GLN A 20 4.089 6.485 -9.385 1.00 0.00 O ATOM 280 CB GLN A 20 1.359 8.268 -9.281 1.00 0.00 C ATOM 281 CG GLN A 20 0.457 8.810 -10.400 1.00 0.00 C ATOM 282 CD GLN A 20 -0.149 10.161 -10.030 1.00 0.00 C ATOM 283 OE1 GLN A 20 0.212 11.212 -10.546 1.00 0.00 O ATOM 284 NE2 GLN A 20 -1.098 10.179 -9.118 1.00 0.00 N ATOM 0 H GLN A 20 -0.158 6.433 -8.695 1.00 0.00 H new ATOM 0 HA GLN A 20 1.941 6.672 -10.613 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.851 8.354 -8.320 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.269 8.865 -9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.036 8.910 -11.318 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.341 8.096 -10.602 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.404 9.308 -8.684 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.527 11.063 -8.846 1.00 0.00 H new ATOM 293 N GLU A 21 2.916 5.802 -7.610 1.00 0.00 N ATOM 294 CA GLU A 21 4.047 5.144 -6.934 1.00 0.00 C ATOM 295 C GLU A 21 4.566 3.936 -7.731 1.00 0.00 C ATOM 296 O GLU A 21 5.777 3.754 -7.866 1.00 0.00 O ATOM 297 CB GLU A 21 3.643 4.693 -5.517 1.00 0.00 C ATOM 298 CG GLU A 21 3.702 5.811 -4.464 1.00 0.00 C ATOM 299 CD GLU A 21 5.125 6.352 -4.230 1.00 0.00 C ATOM 300 OE1 GLU A 21 6.116 5.641 -4.518 1.00 0.00 O ATOM 301 OE2 GLU A 21 5.248 7.500 -3.745 1.00 0.00 O1- ATOM 0 H GLU A 21 2.052 5.782 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 21 4.851 5.877 -6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.630 4.292 -5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.298 3.879 -5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.056 6.631 -4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.304 5.435 -3.522 1.00 0.00 H new ATOM 308 N MET A 22 3.661 3.152 -8.325 1.00 0.00 N ATOM 309 CA MET A 22 3.958 2.058 -9.259 1.00 0.00 C ATOM 310 C MET A 22 4.256 2.522 -10.703 1.00 0.00 C ATOM 311 O MET A 22 4.427 1.689 -11.597 1.00 0.00 O ATOM 312 CB MET A 22 2.831 1.010 -9.184 1.00 0.00 C ATOM 313 CG MET A 22 3.053 0.122 -7.953 1.00 0.00 C ATOM 314 SD MET A 22 1.700 -0.998 -7.531 1.00 0.00 S ATOM 315 CE MET A 22 0.799 0.068 -6.379 1.00 0.00 C ATOM 0 H MET A 22 2.660 3.266 -8.163 1.00 0.00 H new ATOM 0 HA MET A 22 4.894 1.597 -8.944 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.861 1.504 -9.121 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.821 0.403 -10.089 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.953 -0.472 -8.115 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.246 0.766 -7.095 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.219 -0.548 -5.691 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.507 0.674 -5.814 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.127 0.720 -6.937 1.00 0.00 H new ATOM 325 N GLY A 23 4.374 3.836 -10.944 1.00 0.00 N ATOM 326 CA GLY A 23 4.804 4.415 -12.223 1.00 0.00 C ATOM 327 C GLY A 23 3.727 4.511 -13.317 1.00 0.00 C ATOM 328 O GLY A 23 4.063 4.785 -14.472 1.00 0.00 O ATOM 0 H GLY A 23 4.168 4.542 -10.237 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.191 5.416 -12.034 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.632 3.820 -12.608 1.00 0.00 H new ATOM 420 N MET A 34 -16.844 -5.162 -2.746 1.00 0.00 N ATOM 421 CA MET A 34 -15.741 -5.924 -2.134 1.00 0.00 C ATOM 422 C MET A 34 -14.612 -6.244 -3.135 1.00 0.00 C ATOM 423 O MET A 34 -13.432 -6.180 -2.792 1.00 0.00 O ATOM 424 CB MET A 34 -16.316 -7.208 -1.510 1.00 0.00 C ATOM 425 CG MET A 34 -15.311 -8.003 -0.656 1.00 0.00 C ATOM 426 SD MET A 34 -15.479 -7.814 1.145 1.00 0.00 S ATOM 427 CE MET A 34 -15.014 -6.079 1.370 1.00 0.00 C ATOM 0 HA MET A 34 -15.283 -5.308 -1.360 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.173 -6.944 -0.890 1.00 0.00 H new ATOM 0 HB3 MET A 34 -16.686 -7.852 -2.308 1.00 0.00 H new ATOM 0 HG2 MET A 34 -15.410 -9.060 -0.902 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.303 -7.702 -0.941 1.00 0.00 H new ATOM 0 HE1 MET A 34 -14.933 -5.859 2.435 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.055 -5.894 0.887 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.774 -5.438 0.924 1.00 0.00 H new ATOM 437 N GLN A 35 -14.955 -6.522 -4.397 1.00 0.00 N ATOM 438 CA GLN A 35 -13.975 -6.800 -5.454 1.00 0.00 C ATOM 439 C GLN A 35 -13.116 -5.571 -5.811 1.00 0.00 C ATOM 440 O GLN A 35 -11.948 -5.722 -6.167 1.00 0.00 O ATOM 441 CB GLN A 35 -14.705 -7.327 -6.706 1.00 0.00 C ATOM 442 CG GLN A 35 -15.434 -8.659 -6.460 1.00 0.00 C ATOM 443 CD GLN A 35 -16.133 -9.215 -7.701 1.00 0.00 C ATOM 444 OE1 GLN A 35 -16.191 -8.613 -8.767 1.00 0.00 O ATOM 445 NE2 GLN A 35 -16.702 -10.403 -7.614 1.00 0.00 N ATOM 0 H GLN A 35 -15.923 -6.561 -4.716 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.289 -7.558 -5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.426 -6.581 -7.041 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.984 -7.457 -7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.716 -9.395 -6.098 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.172 -8.519 -5.670 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.666 -10.923 -6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.177 -10.801 -8.424 1.00 0.00 H new ATOM 454 N ASP A 36 -13.657 -4.355 -5.672 1.00 0.00 N ATOM 455 CA ASP A 36 -12.938 -3.108 -5.969 1.00 0.00 C ATOM 456 C ASP A 36 -11.863 -2.826 -4.907 1.00 0.00 C ATOM 457 O ASP A 36 -10.711 -2.524 -5.235 1.00 0.00 O ATOM 458 CB ASP A 36 -13.910 -1.920 -6.047 1.00 0.00 C ATOM 459 CG ASP A 36 -15.131 -2.111 -6.962 1.00 0.00 C ATOM 460 OD1 ASP A 36 -16.196 -1.530 -6.641 1.00 0.00 O ATOM 461 OD2 ASP A 36 -15.037 -2.813 -7.999 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.613 -4.206 -5.348 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.453 -3.232 -6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.265 -1.699 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.357 -1.045 -6.389 1.00 0.00 H new ATOM 466 N ILE A 37 -12.221 -2.970 -3.624 1.00 0.00 N ATOM 467 CA ILE A 37 -11.290 -2.807 -2.495 1.00 0.00 C ATOM 468 C ILE A 37 -10.221 -3.912 -2.471 1.00 0.00 C ATOM 469 O ILE A 37 -9.053 -3.603 -2.226 1.00 0.00 O ATOM 470 CB ILE A 37 -12.054 -2.633 -1.157 1.00 0.00 C ATOM 471 CG1 ILE A 37 -11.083 -2.452 0.029 1.00 0.00 C ATOM 472 CG2 ILE A 37 -13.058 -3.758 -0.896 1.00 0.00 C ATOM 473 CD1 ILE A 37 -11.774 -2.155 1.367 1.00 0.00 C ATOM 0 H ILE A 37 -13.171 -3.205 -3.336 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.735 -1.880 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.638 -1.718 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.484 -3.356 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.395 -1.639 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.562 -3.582 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.795 -3.782 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.533 -4.712 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.022 -2.042 2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.351 -1.234 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.441 -2.978 1.623 1.00 0.00 H new ATOM 485 N GLN A 38 -10.566 -5.166 -2.814 1.00 0.00 N ATOM 486 CA GLN A 38 -9.574 -6.243 -2.983 1.00 0.00 C ATOM 487 C GLN A 38 -8.495 -5.862 -4.014 1.00 0.00 C ATOM 488 O GLN A 38 -7.304 -5.982 -3.726 1.00 0.00 O ATOM 489 CB GLN A 38 -10.244 -7.560 -3.428 1.00 0.00 C ATOM 490 CG GLN A 38 -10.966 -8.328 -2.310 1.00 0.00 C ATOM 491 CD GLN A 38 -11.711 -9.536 -2.878 1.00 0.00 C ATOM 492 OE1 GLN A 38 -12.922 -9.525 -3.064 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.024 -10.620 -3.194 1.00 0.00 N ATOM 0 H GLN A 38 -11.529 -5.459 -2.980 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.105 -6.387 -2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.961 -7.337 -4.218 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.484 -8.209 -3.862 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.243 -8.658 -1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.669 -7.667 -1.803 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.015 -10.646 -3.046 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.503 -11.431 -3.586 1.00 0.00 H new ATOM 502 N GLN A 39 -8.894 -5.375 -5.197 1.00 0.00 N ATOM 503 CA GLN A 39 -7.977 -5.028 -6.296 1.00 0.00 C ATOM 504 C GLN A 39 -7.043 -3.854 -5.947 1.00 0.00 C ATOM 505 O GLN A 39 -5.830 -3.958 -6.154 1.00 0.00 O ATOM 506 CB GLN A 39 -8.784 -4.714 -7.563 1.00 0.00 C ATOM 507 CG GLN A 39 -9.403 -5.979 -8.186 1.00 0.00 C ATOM 508 CD GLN A 39 -10.494 -5.696 -9.224 1.00 0.00 C ATOM 509 OE1 GLN A 39 -10.742 -4.571 -9.650 1.00 0.00 O ATOM 510 NE2 GLN A 39 -11.184 -6.716 -9.697 1.00 0.00 N ATOM 0 H GLN A 39 -9.875 -5.208 -5.422 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.336 -5.892 -6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.576 -4.005 -7.321 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.136 -4.231 -8.294 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.612 -6.564 -8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.824 -6.594 -7.391 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.996 -7.660 -9.359 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.905 -6.561 -10.401 1.00 0.00 H new ATOM 519 N LEU A 40 -7.574 -2.755 -5.385 1.00 0.00 N ATOM 520 CA LEU A 40 -6.774 -1.590 -4.986 1.00 0.00 C ATOM 521 C LEU A 40 -5.769 -1.940 -3.870 1.00 0.00 C ATOM 522 O LEU A 40 -4.582 -1.609 -3.959 1.00 0.00 O ATOM 523 CB LEU A 40 -7.709 -0.454 -4.521 1.00 0.00 C ATOM 524 CG LEU A 40 -8.583 0.167 -5.623 1.00 0.00 C ATOM 525 CD1 LEU A 40 -9.664 1.047 -4.998 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.776 1.031 -6.592 1.00 0.00 C ATOM 0 H LEU A 40 -8.571 -2.652 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.200 -1.263 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.361 -0.839 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.103 0.334 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.021 -0.663 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.279 1.483 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.290 0.443 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.196 1.844 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.441 1.445 -7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.299 1.844 -6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.012 0.421 -7.074 1.00 0.00 H new ATOM 538 N LEU A 41 -6.237 -2.632 -2.829 1.00 0.00 N ATOM 539 CA LEU A 41 -5.433 -2.959 -1.654 1.00 0.00 C ATOM 540 C LEU A 41 -4.356 -4.025 -1.934 1.00 0.00 C ATOM 541 O LEU A 41 -3.230 -3.905 -1.440 1.00 0.00 O ATOM 542 CB LEU A 41 -6.409 -3.349 -0.527 1.00 0.00 C ATOM 543 CG LEU A 41 -5.805 -3.418 0.881 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.255 -2.059 1.317 1.00 0.00 C ATOM 545 CD2 LEU A 41 -6.893 -3.823 1.880 1.00 0.00 C ATOM 0 H LEU A 41 -7.193 -2.983 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.849 -2.091 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.228 -2.630 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.841 -4.321 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.994 -4.146 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.834 -2.141 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.478 -1.741 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.061 -1.325 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.467 -3.873 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.695 -3.085 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.293 -4.800 1.607 1.00 0.00 H new ATOM 557 N ALA A 42 -4.649 -5.025 -2.778 1.00 0.00 N ATOM 558 CA ALA A 42 -3.673 -6.047 -3.176 1.00 0.00 C ATOM 559 C ALA A 42 -2.550 -5.479 -4.063 1.00 0.00 C ATOM 560 O ALA A 42 -1.381 -5.857 -3.903 1.00 0.00 O ATOM 561 CB ALA A 42 -4.399 -7.183 -3.905 1.00 0.00 C ATOM 0 H ALA A 42 -5.568 -5.147 -3.203 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.198 -6.423 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.678 -7.944 -4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.141 -7.626 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.896 -6.788 -4.791 1.00 0.00 H new ATOM 567 N LYS A 43 -2.870 -4.549 -4.973 1.00 0.00 N ATOM 568 CA LYS A 43 -1.892 -3.852 -5.808 1.00 0.00 C ATOM 569 C LYS A 43 -0.916 -3.036 -4.948 1.00 0.00 C ATOM 570 O LYS A 43 0.292 -3.117 -5.156 1.00 0.00 O ATOM 571 CB LYS A 43 -2.673 -3.029 -6.847 1.00 0.00 C ATOM 572 CG LYS A 43 -1.739 -2.207 -7.735 1.00 0.00 C ATOM 573 CD LYS A 43 -2.426 -1.624 -8.976 1.00 0.00 C ATOM 574 CE LYS A 43 -1.438 -0.736 -9.748 1.00 0.00 C ATOM 575 NZ LYS A 43 -1.989 -0.289 -11.049 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.831 -4.258 -5.150 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.252 -4.550 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.270 -3.698 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.368 -2.363 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.317 -1.392 -7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.907 -2.835 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.783 -2.430 -9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.298 -1.041 -8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.185 0.135 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.512 -1.286 -9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.290 0.307 -11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.206 -1.119 -11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.858 0.259 -10.888 1.00 0.00 H new ATOM 589 N SER A 44 -1.417 -2.342 -3.925 1.00 0.00 N ATOM 590 CA SER A 44 -0.581 -1.631 -2.941 1.00 0.00 C ATOM 591 C SER A 44 0.329 -2.573 -2.140 1.00 0.00 C ATOM 592 O SER A 44 1.522 -2.308 -1.998 1.00 0.00 O ATOM 593 CB SER A 44 -1.457 -0.825 -1.978 1.00 0.00 C ATOM 594 OG SER A 44 -2.275 0.089 -2.684 1.00 0.00 O ATOM 0 H SER A 44 -2.418 -2.253 -3.750 1.00 0.00 H new ATOM 0 HA SER A 44 0.063 -0.960 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.081 -1.502 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.826 -0.285 -1.272 1.00 0.00 H new ATOM 0 HG SER A 44 -3.016 -0.394 -3.106 1.00 0.00 H new ATOM 600 N LEU A 45 -0.198 -3.705 -1.659 1.00 0.00 N ATOM 601 CA LEU A 45 0.565 -4.738 -0.952 1.00 0.00 C ATOM 602 C LEU A 45 1.698 -5.319 -1.824 1.00 0.00 C ATOM 603 O LEU A 45 2.816 -5.512 -1.342 1.00 0.00 O ATOM 604 CB LEU A 45 -0.449 -5.784 -0.437 1.00 0.00 C ATOM 605 CG LEU A 45 0.054 -7.059 0.267 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.439 -8.165 -0.711 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.205 -6.808 1.238 1.00 0.00 C ATOM 0 H LEU A 45 -1.188 -3.932 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 45 1.095 -4.320 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.119 -5.274 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.051 -6.100 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.804 -7.396 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.785 -9.037 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.429 -8.438 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.236 -7.811 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.507 -7.750 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.050 -6.380 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.882 -6.114 2.014 1.00 0.00 H new ATOM 619 N THR A 46 1.458 -5.512 -3.123 1.00 0.00 N ATOM 620 CA THR A 46 2.486 -5.991 -4.069 1.00 0.00 C ATOM 621 C THR A 46 3.692 -5.040 -4.142 1.00 0.00 C ATOM 622 O THR A 46 4.837 -5.499 -4.150 1.00 0.00 O ATOM 623 CB THR A 46 1.873 -6.212 -5.465 1.00 0.00 C ATOM 624 OG1 THR A 46 0.854 -7.191 -5.415 1.00 0.00 O ATOM 625 CG2 THR A 46 2.893 -6.723 -6.487 1.00 0.00 C ATOM 0 H THR A 46 0.549 -5.343 -3.555 1.00 0.00 H new ATOM 0 HA THR A 46 2.856 -6.946 -3.695 1.00 0.00 H new ATOM 0 HB THR A 46 1.494 -5.236 -5.768 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.080 -6.833 -4.932 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.404 -6.860 -7.452 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.700 -5.998 -6.589 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.301 -7.675 -6.149 1.00 0.00 H new ATOM 633 N GLU A 47 3.477 -3.721 -4.124 1.00 0.00 N ATOM 634 CA GLU A 47 4.560 -2.725 -4.108 1.00 0.00 C ATOM 635 C GLU A 47 5.349 -2.709 -2.784 1.00 0.00 C ATOM 636 O GLU A 47 6.577 -2.565 -2.807 1.00 0.00 O ATOM 637 CB GLU A 47 3.973 -1.340 -4.444 1.00 0.00 C ATOM 638 CG GLU A 47 4.973 -0.172 -4.513 1.00 0.00 C ATOM 639 CD GLU A 47 5.887 -0.161 -5.752 1.00 0.00 C ATOM 640 OE1 GLU A 47 6.413 0.929 -6.075 1.00 0.00 O ATOM 641 OE2 GLU A 47 6.080 -1.215 -6.405 1.00 0.00 O1- ATOM 0 H GLU A 47 2.544 -3.309 -4.120 1.00 0.00 H new ATOM 0 HA GLU A 47 5.290 -3.005 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.462 -1.409 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.217 -1.099 -3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.415 0.764 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.598 -0.198 -3.621 1.00 0.00 H new ATOM 648 N ILE A 48 4.693 -2.924 -1.633 1.00 0.00 N ATOM 649 CA ILE A 48 5.380 -3.077 -0.335 1.00 0.00 C ATOM 650 C ILE A 48 6.355 -4.265 -0.393 1.00 0.00 C ATOM 651 O ILE A 48 7.544 -4.111 -0.101 1.00 0.00 O ATOM 652 CB ILE A 48 4.380 -3.228 0.839 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.486 -1.978 0.979 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.126 -3.483 2.165 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.291 -2.186 1.921 1.00 0.00 C ATOM 0 H ILE A 48 3.677 -2.997 -1.572 1.00 0.00 H new ATOM 0 HA ILE A 48 5.947 -2.166 -0.146 1.00 0.00 H new ATOM 0 HB ILE A 48 3.745 -4.086 0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.089 -1.148 1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.117 -1.692 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.404 -3.586 2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.712 -4.399 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.791 -2.645 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.705 -1.268 1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.666 -2.995 1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.653 -2.443 2.917 1.00 0.00 H new ATOM 667 N LYS A 49 5.883 -5.437 -0.842 1.00 0.00 N ATOM 668 CA LYS A 49 6.705 -6.656 -0.992 1.00 0.00 C ATOM 669 C LYS A 49 7.872 -6.457 -1.966 1.00 0.00 C ATOM 670 O LYS A 49 8.993 -6.866 -1.660 1.00 0.00 O ATOM 671 CB LYS A 49 5.826 -7.837 -1.434 1.00 0.00 C ATOM 672 CG LYS A 49 4.932 -8.357 -0.304 1.00 0.00 C ATOM 673 CD LYS A 49 4.101 -9.549 -0.794 1.00 0.00 C ATOM 674 CE LYS A 49 3.199 -10.129 0.303 1.00 0.00 C ATOM 675 NZ LYS A 49 3.968 -10.868 1.335 1.00 0.00 N1+ ATOM 0 H LYS A 49 4.910 -5.571 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 49 7.140 -6.877 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.203 -7.528 -2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.463 -8.646 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.545 -8.656 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.272 -7.562 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.486 -9.236 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.770 -10.328 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.643 -9.321 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.466 -10.798 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.318 -11.448 1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.667 -11.484 0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.459 -10.191 1.953 1.00 0.00 H new ATOM 689 N ARG A 50 7.635 -5.793 -3.102 1.00 0.00 N ATOM 690 CA ARG A 50 8.658 -5.470 -4.121 1.00 0.00 C ATOM 691 C ARG A 50 9.825 -4.661 -3.541 1.00 0.00 C ATOM 692 O ARG A 50 10.984 -5.037 -3.716 1.00 0.00 O ATOM 693 CB ARG A 50 7.975 -4.743 -5.298 1.00 0.00 C ATOM 694 CG ARG A 50 8.927 -4.458 -6.472 1.00 0.00 C ATOM 695 CD ARG A 50 8.208 -3.735 -7.615 1.00 0.00 C ATOM 696 NE ARG A 50 7.211 -4.598 -8.287 1.00 0.00 N ATOM 697 CZ ARG A 50 5.913 -4.399 -8.425 1.00 0.00 C ATOM 698 NH1 ARG A 50 5.283 -3.373 -7.928 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 5.202 -5.258 -9.098 1.00 0.00 N ATOM 0 H ARG A 50 6.706 -5.454 -3.351 1.00 0.00 H new ATOM 0 HA ARG A 50 9.102 -6.398 -4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.141 -5.347 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.557 -3.802 -4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.763 -3.851 -6.125 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.345 -5.396 -6.839 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.712 -2.847 -7.225 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.942 -3.395 -8.346 1.00 0.00 H new ATOM 0 HE ARG A 50 7.574 -5.459 -8.697 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.795 -2.668 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.278 -3.275 -8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.649 -6.076 -9.513 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.199 -5.113 -9.210 1.00 0.00 H new ATOM 713 N LEU A 51 9.521 -3.576 -2.821 1.00 0.00 N ATOM 714 CA LEU A 51 10.535 -2.686 -2.235 1.00 0.00 C ATOM 715 C LEU A 51 11.254 -3.317 -1.034 1.00 0.00 C ATOM 716 O LEU A 51 12.475 -3.171 -0.923 1.00 0.00 O ATOM 717 CB LEU A 51 9.889 -1.334 -1.878 1.00 0.00 C ATOM 718 CG LEU A 51 9.867 -0.292 -3.020 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.271 0.250 -3.318 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.259 -0.788 -4.332 1.00 0.00 C ATOM 0 H LEU A 51 8.562 -3.287 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 51 11.312 -2.518 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.864 -1.514 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.423 -0.907 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 51 9.218 0.496 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.215 0.980 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.674 0.728 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.923 -0.572 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.288 0.012 -5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.830 -1.641 -4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.225 -1.089 -4.163 1.00 0.00 H new ATOM 732 N LYS A 52 10.552 -4.073 -0.177 1.00 0.00 N ATOM 733 CA LYS A 52 11.174 -4.825 0.928 1.00 0.00 C ATOM 734 C LYS A 52 12.143 -5.899 0.424 1.00 0.00 C ATOM 735 O LYS A 52 13.247 -6.015 0.957 1.00 0.00 O ATOM 736 CB LYS A 52 10.098 -5.425 1.854 1.00 0.00 C ATOM 737 CG LYS A 52 9.437 -4.318 2.692 1.00 0.00 C ATOM 738 CD LYS A 52 8.332 -4.783 3.653 1.00 0.00 C ATOM 739 CE LYS A 52 8.848 -5.477 4.925 1.00 0.00 C ATOM 740 NZ LYS A 52 9.048 -6.933 4.738 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.539 -4.182 -0.228 1.00 0.00 H new ATOM 0 HA LYS A 52 11.767 -4.119 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.343 -5.940 1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.548 -6.169 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.211 -3.816 3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.015 -3.576 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.732 -3.920 3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.670 -5.468 3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.791 -5.020 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.140 -5.313 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.130 -7.394 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.237 -7.332 4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.918 -7.097 4.192 1.00 0.00 H new ATOM 754 N ALA A 53 11.782 -6.620 -0.640 1.00 0.00 N ATOM 755 CA ALA A 53 12.660 -7.608 -1.274 1.00 0.00 C ATOM 756 C ALA A 53 13.928 -6.975 -1.879 1.00 0.00 C ATOM 757 O ALA A 53 15.025 -7.491 -1.668 1.00 0.00 O ATOM 758 CB ALA A 53 11.853 -8.372 -2.327 1.00 0.00 C ATOM 0 H ALA A 53 10.870 -6.535 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 53 13.017 -8.299 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.492 -9.112 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.013 -8.875 -1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.478 -7.674 -3.075 1.00 0.00 H new ATOM 764 N ALA A 54 13.804 -5.832 -2.567 1.00 0.00 N ATOM 765 CA ALA A 54 14.943 -5.101 -3.139 1.00 0.00 C ATOM 766 C ALA A 54 15.902 -4.557 -2.058 1.00 0.00 C ATOM 767 O ALA A 54 17.123 -4.678 -2.186 1.00 0.00 O ATOM 768 CB ALA A 54 14.397 -3.983 -4.032 1.00 0.00 C ATOM 0 H ALA A 54 12.904 -5.385 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 54 15.543 -5.789 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.227 -3.427 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.793 -4.416 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.782 -3.309 -3.436 1.00 0.00 H new ATOM 774 N ASN A 55 15.350 -4.009 -0.970 1.00 0.00 N ATOM 775 CA ASN A 55 16.114 -3.534 0.190 1.00 0.00 C ATOM 776 C ASN A 55 16.874 -4.694 0.866 1.00 0.00 C ATOM 777 O ASN A 55 18.082 -4.612 1.080 1.00 0.00 O ATOM 778 CB ASN A 55 15.118 -2.810 1.121 1.00 0.00 C ATOM 779 CG ASN A 55 15.758 -2.024 2.256 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.715 -2.440 2.887 1.00 0.00 O ATOM 781 ND2 ASN A 55 15.227 -0.861 2.564 1.00 0.00 N ATOM 0 H ASN A 55 14.343 -3.881 -0.869 1.00 0.00 H new ATOM 0 HA ASN A 55 16.894 -2.831 -0.101 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.513 -2.129 0.523 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.439 -3.548 1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.616 -0.309 3.329 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.426 -0.510 2.038 1.00 0.00 H new ATOM 1054 N PRO B 110 -9.297 -13.655 -0.749 1.00 0.00 N ATOM 1055 CA PRO B 110 -10.236 -12.700 -0.157 1.00 0.00 C ATOM 1056 C PRO B 110 -9.534 -11.565 0.604 1.00 0.00 C ATOM 1057 O PRO B 110 -8.344 -11.640 0.928 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.132 -13.539 0.760 1.00 0.00 C ATOM 1059 CG PRO B 110 -10.201 -14.657 1.213 1.00 0.00 C ATOM 1060 CD PRO B 110 -9.387 -14.933 -0.050 1.00 0.00 C ATOM 0 HA PRO B 110 -10.810 -12.185 -0.928 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.505 -12.957 1.603 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -12.002 -13.927 0.230 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.569 -14.348 2.045 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -10.753 -15.538 1.542 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -8.396 -15.314 0.198 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -9.872 -15.686 -0.671 1.00 0.00 H new ATOM 1068 N ILE B 111 -10.296 -10.518 0.941 1.00 0.00 N ATOM 1069 CA ILE B 111 -9.787 -9.310 1.610 1.00 0.00 C ATOM 1070 C ILE B 111 -9.119 -9.588 2.964 1.00 0.00 C ATOM 1071 O ILE B 111 -8.152 -8.919 3.322 1.00 0.00 O ATOM 1072 CB ILE B 111 -10.889 -8.237 1.716 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.271 -6.905 2.195 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.064 -8.657 2.626 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -11.121 -5.700 1.816 1.00 0.00 C ATOM 0 H ILE B 111 -11.298 -10.483 0.755 1.00 0.00 H new ATOM 0 HA ILE B 111 -8.990 -8.920 0.977 1.00 0.00 H new ATOM 0 HB ILE B 111 -11.314 -8.110 0.720 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.148 -6.933 3.278 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -9.276 -6.794 1.764 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -12.804 -7.857 2.657 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -12.524 -9.563 2.231 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -11.694 -8.848 3.633 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -10.642 -4.789 2.176 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -11.222 -5.653 0.732 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.108 -5.794 2.269 1.00 0.00 H new ATOM 1087 N ASP B 112 -9.571 -10.602 3.705 1.00 0.00 N ATOM 1088 CA ASP B 112 -8.965 -10.990 4.983 1.00 0.00 C ATOM 1089 C ASP B 112 -7.516 -11.491 4.819 1.00 0.00 C ATOM 1090 O ASP B 112 -6.678 -11.214 5.677 1.00 0.00 O ATOM 1091 CB ASP B 112 -9.832 -12.051 5.677 1.00 0.00 C ATOM 1092 CG ASP B 112 -11.235 -11.570 6.087 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -11.460 -10.343 6.230 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -12.124 -12.432 6.300 1.00 0.00 O1- ATOM 0 H ASP B 112 -10.368 -11.179 3.437 1.00 0.00 H new ATOM 0 HA ASP B 112 -8.920 -10.098 5.608 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -9.937 -12.907 5.010 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -9.309 -12.402 6.567 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.190 -12.175 3.717 1.00 0.00 N ATOM 1100 CA GLU B 113 -5.831 -12.648 3.439 1.00 0.00 C ATOM 1101 C GLU B 113 -4.903 -11.498 3.022 1.00 0.00 C ATOM 1102 O GLU B 113 -3.861 -11.307 3.642 1.00 0.00 O ATOM 1103 CB GLU B 113 -5.840 -13.756 2.371 1.00 0.00 C ATOM 1104 CG GLU B 113 -6.538 -15.051 2.816 1.00 0.00 C ATOM 1105 CD GLU B 113 -5.870 -15.731 4.030 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -6.602 -16.318 4.869 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -4.622 -15.701 4.159 1.00 0.00 O1- ATOM 0 H GLU B 113 -7.864 -12.417 2.991 1.00 0.00 H new ATOM 0 HA GLU B 113 -5.439 -13.068 4.365 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -6.334 -13.379 1.476 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -4.811 -13.987 2.094 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -7.576 -14.828 3.062 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -6.552 -15.751 1.981 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.267 -10.695 2.016 1.00 0.00 N ATOM 1115 CA LEU B 114 -4.420 -9.575 1.568 1.00 0.00 C ATOM 1116 C LEU B 114 -4.289 -8.453 2.622 1.00 0.00 C ATOM 1117 O LEU B 114 -3.228 -7.828 2.726 1.00 0.00 O ATOM 1118 CB LEU B 114 -4.896 -9.070 0.195 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.311 -8.481 0.173 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.273 -6.958 0.188 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.083 -8.931 -1.073 1.00 0.00 C ATOM 0 H LEU B 114 -6.139 -10.796 1.496 1.00 0.00 H new ATOM 0 HA LEU B 114 -3.403 -9.950 1.449 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.198 -8.311 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -4.852 -9.897 -0.514 1.00 0.00 H new ATOM 0 HG LEU B 114 -6.815 -8.846 1.068 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.291 -6.568 0.172 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -5.768 -6.616 1.091 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -5.733 -6.599 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.082 -8.496 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -6.556 -8.599 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.160 -10.018 -1.080 1.00 0.00 H new ATOM 1133 N SER B 115 -5.316 -8.235 3.450 1.00 0.00 N ATOM 1134 CA SER B 115 -5.243 -7.334 4.605 1.00 0.00 C ATOM 1135 C SER B 115 -4.326 -7.905 5.693 1.00 0.00 C ATOM 1136 O SER B 115 -3.471 -7.183 6.210 1.00 0.00 O ATOM 1137 CB SER B 115 -6.645 -7.046 5.158 1.00 0.00 C ATOM 1138 OG SER B 115 -6.594 -6.150 6.252 1.00 0.00 O ATOM 0 H SER B 115 -6.226 -8.681 3.337 1.00 0.00 H new ATOM 0 HA SER B 115 -4.811 -6.390 4.271 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.269 -6.625 4.370 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.113 -7.979 5.471 1.00 0.00 H new ATOM 0 HG SER B 115 -7.098 -6.524 7.005 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.397 -9.207 6.003 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.438 -9.832 6.914 1.00 0.00 C ATOM 1146 C ALA B 116 -2.001 -9.726 6.382 1.00 0.00 C ATOM 1147 O ALA B 116 -1.093 -9.426 7.152 1.00 0.00 O ATOM 1148 CB ALA B 116 -3.804 -11.296 7.175 1.00 0.00 C ATOM 0 H ALA B 116 -5.106 -9.842 5.637 1.00 0.00 H new ATOM 0 HA ALA B 116 -3.487 -9.289 7.858 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.076 -11.737 7.855 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -4.797 -11.349 7.622 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -3.801 -11.845 6.234 1.00 0.00 H new ATOM 1154 N LEU B 117 -1.783 -9.899 5.075 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.458 -9.795 4.455 1.00 0.00 C ATOM 1156 C LEU B 117 0.138 -8.381 4.567 1.00 0.00 C ATOM 1157 O LEU B 117 1.293 -8.260 4.977 1.00 0.00 O ATOM 1158 CB LEU B 117 -0.519 -10.314 3.003 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.081 -11.785 2.866 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -0.880 -12.796 3.691 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.195 -12.220 1.407 1.00 0.00 C ATOM 0 H LEU B 117 -2.527 -10.117 4.412 1.00 0.00 H new ATOM 0 HA LEU B 117 0.233 -10.431 5.009 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -1.537 -10.208 2.629 1.00 0.00 H new ATOM 0 HB3 LEU B 117 0.118 -9.692 2.374 1.00 0.00 H new ATOM 0 HG LEU B 117 0.941 -11.795 3.246 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.487 -13.798 3.519 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.795 -12.550 4.749 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -1.928 -12.761 3.393 1.00 0.00 H new ATOM 0 HD21 LEU B 117 0.115 -13.261 1.312 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.229 -12.118 1.077 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.447 -11.592 0.789 1.00 0.00 H new ATOM 1173 N LEU B 118 -0.609 -7.303 4.284 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.067 -5.942 4.448 1.00 0.00 C ATOM 1175 C LEU B 118 0.198 -5.590 5.925 1.00 0.00 C ATOM 1176 O LEU B 118 1.194 -4.931 6.230 1.00 0.00 O ATOM 1177 CB LEU B 118 -0.928 -4.908 3.687 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.233 -4.453 4.368 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.052 -3.211 5.246 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.283 -4.101 3.318 1.00 0.00 C ATOM 0 H LEU B 118 -1.571 -7.342 3.947 1.00 0.00 H new ATOM 0 HA LEU B 118 0.919 -5.908 3.984 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.315 -4.025 3.503 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.182 -5.328 2.714 1.00 0.00 H new ATOM 0 HG LEU B 118 -2.544 -5.290 4.993 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.007 -2.942 5.697 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -1.327 -3.423 6.032 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -1.693 -2.383 4.635 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.200 -3.781 3.813 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -2.911 -3.294 2.687 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.490 -4.976 2.702 1.00 0.00 H new ATOM 1192 N ARG B 119 -0.631 -6.092 6.851 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.414 -5.980 8.305 1.00 0.00 C ATOM 1194 C ARG B 119 0.825 -6.768 8.754 1.00 0.00 C ATOM 1195 O ARG B 119 1.594 -6.270 9.576 1.00 0.00 O ATOM 1196 CB ARG B 119 -1.689 -6.437 9.035 1.00 0.00 C ATOM 1197 CG ARG B 119 -2.879 -5.483 8.814 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.185 -6.149 9.269 1.00 0.00 C ATOM 1199 NE ARG B 119 -5.383 -5.386 8.858 1.00 0.00 N ATOM 1200 CZ ARG B 119 -5.996 -4.435 9.539 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -5.517 -3.967 10.658 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -7.126 -3.949 9.115 1.00 0.00 N ATOM 0 H ARG B 119 -1.485 -6.595 6.610 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.216 -4.940 8.562 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -1.961 -7.435 8.691 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -1.483 -6.513 10.103 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -2.721 -4.559 9.369 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -2.948 -5.214 7.760 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -4.239 -7.156 8.854 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.178 -6.251 10.354 1.00 0.00 H new ATOM 0 HE ARG B 119 -5.780 -5.620 7.948 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -4.643 -4.336 11.033 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -6.016 -3.232 11.159 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -7.542 -4.302 8.253 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -7.596 -3.215 9.644 1.00 0.00 H new ATOM 1216 N GLN B 120 1.080 -7.938 8.161 1.00 0.00 N ATOM 1217 CA GLN B 120 2.276 -8.763 8.379 1.00 0.00 C ATOM 1218 C GLN B 120 3.557 -8.128 7.815 1.00 0.00 C ATOM 1219 O GLN B 120 4.614 -8.266 8.433 1.00 0.00 O ATOM 1220 CB GLN B 120 2.040 -10.164 7.789 1.00 0.00 C ATOM 1221 CG GLN B 120 1.140 -11.045 8.677 1.00 0.00 C ATOM 1222 CD GLN B 120 0.561 -12.243 7.921 1.00 0.00 C ATOM 1223 OE1 GLN B 120 0.998 -12.630 6.844 1.00 0.00 O ATOM 1224 NE2 GLN B 120 -0.443 -12.904 8.456 1.00 0.00 N ATOM 0 H GLN B 120 0.435 -8.354 7.489 1.00 0.00 H new ATOM 0 HA GLN B 120 2.436 -8.840 9.454 1.00 0.00 H new ATOM 0 HB2 GLN B 120 1.585 -10.066 6.803 1.00 0.00 H new ATOM 0 HB3 GLN B 120 3.000 -10.660 7.648 1.00 0.00 H new ATOM 0 HG2 GLN B 120 1.716 -11.402 9.531 1.00 0.00 H new ATOM 0 HG3 GLN B 120 0.324 -10.441 9.073 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -0.829 -12.607 9.352 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -0.835 -13.714 7.975 1.00 0.00 H new ATOM 1233 N GLU B 121 3.503 -7.356 6.723 1.00 0.00 N ATOM 1234 CA GLU B 121 4.655 -6.542 6.282 1.00 0.00 C ATOM 1235 C GLU B 121 4.981 -5.402 7.272 1.00 0.00 C ATOM 1236 O GLU B 121 6.155 -5.097 7.490 1.00 0.00 O ATOM 1237 CB GLU B 121 4.431 -5.948 4.880 1.00 0.00 C ATOM 1238 CG GLU B 121 4.299 -6.957 3.722 1.00 0.00 C ATOM 1239 CD GLU B 121 5.358 -8.071 3.697 1.00 0.00 C ATOM 1240 OE1 GLU B 121 5.031 -9.205 3.276 1.00 0.00 O ATOM 1241 OE2 GLU B 121 6.533 -7.820 4.052 1.00 0.00 O1- ATOM 0 H GLU B 121 2.680 -7.274 6.127 1.00 0.00 H new ATOM 0 HA GLU B 121 5.505 -7.224 6.248 1.00 0.00 H new ATOM 0 HB2 GLU B 121 3.527 -5.339 4.907 1.00 0.00 H new ATOM 0 HB3 GLU B 121 5.261 -5.278 4.656 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.312 -7.417 3.774 1.00 0.00 H new ATOM 0 HG3 GLU B 121 4.347 -6.412 2.780 1.00 0.00 H new ATOM 1248 N MET B 122 3.956 -4.816 7.913 1.00 0.00 N ATOM 1249 CA MET B 122 4.105 -3.835 9.006 1.00 0.00 C ATOM 1250 C MET B 122 4.509 -4.470 10.361 1.00 0.00 C ATOM 1251 O MET B 122 4.949 -3.762 11.274 1.00 0.00 O ATOM 1252 CB MET B 122 2.797 -3.041 9.176 1.00 0.00 C ATOM 1253 CG MET B 122 2.419 -2.244 7.925 1.00 0.00 C ATOM 1254 SD MET B 122 0.720 -1.612 7.967 1.00 0.00 S ATOM 1255 CE MET B 122 0.595 -1.084 6.242 1.00 0.00 C ATOM 0 H MET B 122 2.982 -5.013 7.683 1.00 0.00 H new ATOM 0 HA MET B 122 4.922 -3.174 8.717 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.988 -3.730 9.420 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.899 -2.358 10.019 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.108 -1.407 7.813 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.542 -2.878 7.047 1.00 0.00 H new ATOM 0 HE1 MET B 122 -0.454 -0.945 5.979 1.00 0.00 H new ATOM 0 HE2 MET B 122 1.130 -0.143 6.110 1.00 0.00 H new ATOM 0 HE3 MET B 122 1.034 -1.845 5.596 1.00 0.00 H new ATOM 1349 N SER B 133 -16.984 0.414 5.566 1.00 0.00 N ATOM 1350 CA SER B 133 -17.366 1.836 5.477 1.00 0.00 C ATOM 1351 C SER B 133 -16.455 2.630 4.530 1.00 0.00 C ATOM 1352 O SER B 133 -15.306 2.253 4.294 1.00 0.00 O ATOM 1353 CB SER B 133 -17.341 2.479 6.874 1.00 0.00 C ATOM 1354 OG SER B 133 -17.747 3.837 6.843 1.00 0.00 O ATOM 0 HA SER B 133 -18.376 1.869 5.068 1.00 0.00 H new ATOM 0 HB2 SER B 133 -17.997 1.920 7.542 1.00 0.00 H new ATOM 0 HB3 SER B 133 -16.334 2.411 7.286 1.00 0.00 H new ATOM 0 HG SER B 133 -17.719 4.208 7.750 1.00 0.00 H new ATOM 1360 N MET B 134 -16.931 3.768 4.016 1.00 0.00 N ATOM 1361 CA MET B 134 -16.148 4.657 3.151 1.00 0.00 C ATOM 1362 C MET B 134 -14.931 5.293 3.860 1.00 0.00 C ATOM 1363 O MET B 134 -13.913 5.557 3.223 1.00 0.00 O ATOM 1364 CB MET B 134 -17.085 5.728 2.575 1.00 0.00 C ATOM 1365 CG MET B 134 -16.646 6.127 1.164 1.00 0.00 C ATOM 1366 SD MET B 134 -16.919 4.831 -0.084 1.00 0.00 S ATOM 1367 CE MET B 134 -15.650 5.302 -1.290 1.00 0.00 C ATOM 0 H MET B 134 -17.879 4.101 4.190 1.00 0.00 H new ATOM 0 HA MET B 134 -15.722 4.056 2.347 1.00 0.00 H new ATOM 0 HB2 MET B 134 -18.107 5.349 2.550 1.00 0.00 H new ATOM 0 HB3 MET B 134 -17.086 6.605 3.223 1.00 0.00 H new ATOM 0 HG2 MET B 134 -17.187 7.025 0.866 1.00 0.00 H new ATOM 0 HG3 MET B 134 -15.587 6.384 1.182 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.385 4.436 -1.897 1.00 0.00 H new ATOM 0 HE2 MET B 134 -16.036 6.092 -1.934 1.00 0.00 H new ATOM 0 HE3 MET B 134 -14.765 5.661 -0.765 1.00 0.00 H new ATOM 1377 N GLN B 135 -14.997 5.483 5.182 1.00 0.00 N ATOM 1378 CA GLN B 135 -13.843 5.870 6.006 1.00 0.00 C ATOM 1379 C GLN B 135 -12.877 4.692 6.244 1.00 0.00 C ATOM 1380 O GLN B 135 -11.661 4.883 6.227 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.353 6.469 7.325 1.00 0.00 C ATOM 1382 CG GLN B 135 -13.222 6.820 8.316 1.00 0.00 C ATOM 1383 CD GLN B 135 -13.697 7.568 9.567 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -14.796 8.106 9.653 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -12.874 7.635 10.597 1.00 0.00 N ATOM 0 H GLN B 135 -15.859 5.372 5.716 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.263 6.623 5.471 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -14.929 7.369 7.108 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -15.034 5.761 7.798 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -12.724 5.900 8.623 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -12.479 7.429 7.802 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -11.956 7.194 10.546 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -13.156 8.128 11.444 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.398 3.480 6.437 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.602 2.263 6.672 1.00 0.00 C ATOM 1396 C ASP B 136 -11.682 1.948 5.477 1.00 0.00 C ATOM 1397 O ASP B 136 -10.476 1.749 5.650 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.556 1.099 6.968 1.00 0.00 C ATOM 1399 CG ASP B 136 -12.856 -0.255 7.140 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -11.762 -0.318 7.746 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -13.444 -1.281 6.719 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.403 3.308 6.435 1.00 0.00 H new ATOM 0 HA ASP B 136 -11.949 2.422 7.530 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -14.116 1.324 7.875 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -14.280 1.021 6.157 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.216 2.004 4.250 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.422 1.847 3.018 1.00 0.00 C ATOM 1408 C ILE B 137 -10.367 2.951 2.847 1.00 0.00 C ATOM 1409 O ILE B 137 -9.233 2.636 2.482 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.328 1.704 1.776 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.470 1.429 0.521 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.244 2.920 1.551 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -12.298 1.071 -0.713 1.00 0.00 C ATOM 0 H ILE B 137 -13.210 2.159 4.080 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.864 0.916 3.120 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.987 0.855 1.962 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.867 2.310 0.302 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.778 0.614 0.734 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.855 2.756 0.663 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.892 3.053 2.417 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.635 3.814 1.413 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.633 0.891 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.881 0.172 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.971 1.895 -0.951 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.687 4.219 3.149 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.706 5.310 3.084 1.00 0.00 C ATOM 1427 C GLN B 138 -8.537 5.054 4.042 1.00 0.00 C ATOM 1428 O GLN B 138 -7.383 5.120 3.622 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.356 6.672 3.393 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.113 7.260 2.195 1.00 0.00 C ATOM 1431 CD GLN B 138 -11.785 8.585 2.550 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -12.999 8.689 2.665 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -11.042 9.654 2.762 1.00 0.00 N ATOM 0 H GLN B 138 -11.619 4.513 3.441 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.322 5.340 2.064 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.044 6.558 4.231 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.584 7.374 3.708 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.422 7.413 1.366 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -11.866 6.549 1.855 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -10.028 9.596 2.673 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -11.482 10.539 3.015 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.815 4.707 5.304 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.781 4.438 6.312 1.00 0.00 C ATOM 1444 C GLN B 139 -6.921 3.210 5.950 1.00 0.00 C ATOM 1445 O GLN B 139 -5.691 3.272 6.012 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.440 4.268 7.689 1.00 0.00 C ATOM 1447 CG GLN B 139 -8.988 5.607 8.225 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.732 5.523 9.564 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -10.261 6.513 10.053 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -9.823 4.381 10.222 1.00 0.00 N ATOM 0 H GLN B 139 -9.767 4.604 5.657 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.103 5.291 6.341 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.252 3.544 7.618 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.713 3.863 8.393 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -8.157 6.303 8.333 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.662 6.029 7.480 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -9.393 3.538 9.842 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -10.323 4.343 11.110 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.546 2.105 5.533 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.855 0.854 5.193 1.00 0.00 C ATOM 1461 C LEU B 140 -5.990 0.978 3.922 1.00 0.00 C ATOM 1462 O LEU B 140 -4.860 0.490 3.902 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.917 -0.253 5.093 1.00 0.00 C ATOM 1464 CG LEU B 140 -7.378 -1.671 4.805 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -6.357 -2.153 5.843 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -8.548 -2.661 4.804 1.00 0.00 C ATOM 0 H LEU B 140 -8.558 2.052 5.420 1.00 0.00 H new ATOM 0 HA LEU B 140 -6.140 0.602 5.976 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.477 -0.280 6.028 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -8.622 0.015 4.306 1.00 0.00 H new ATOM 0 HG LEU B 140 -6.877 -1.624 3.838 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -6.018 -3.156 5.582 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -5.504 -1.474 5.857 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -6.822 -2.172 6.829 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -8.175 -3.665 4.601 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -9.038 -2.646 5.777 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -9.264 -2.377 4.033 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.482 1.669 2.884 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.761 1.904 1.625 1.00 0.00 C ATOM 1480 C LEU B 141 -4.701 3.022 1.755 1.00 0.00 C ATOM 1481 O LEU B 141 -3.691 2.993 1.052 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.796 2.159 0.506 1.00 0.00 C ATOM 1483 CG LEU B 141 -6.269 2.081 -0.942 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.684 0.711 -1.287 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.426 2.328 -1.914 1.00 0.00 C ATOM 0 H LEU B 141 -7.412 2.089 2.897 1.00 0.00 H new ATOM 0 HA LEU B 141 -5.183 1.018 1.361 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.604 1.436 0.616 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -7.230 3.147 0.660 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.484 2.832 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -5.329 0.716 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.852 0.492 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.453 -0.053 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -7.058 2.274 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -8.195 1.570 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.849 3.316 -1.732 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.878 3.967 2.688 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.831 4.916 3.071 1.00 0.00 C ATOM 1499 C ALA B 142 -2.669 4.232 3.818 1.00 0.00 C ATOM 1500 O ALA B 142 -1.508 4.537 3.548 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.420 6.045 3.930 1.00 0.00 C ATOM 0 H ALA B 142 -5.753 4.093 3.197 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.425 5.336 2.151 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.629 6.742 4.207 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.186 6.572 3.362 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.863 5.623 4.832 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.948 3.286 4.728 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.917 2.571 5.508 1.00 0.00 C ATOM 1509 C LYS B 143 -0.901 1.850 4.619 1.00 0.00 C ATOM 1510 O LYS B 143 0.303 2.002 4.828 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.589 1.606 6.505 1.00 0.00 C ATOM 1512 CG LYS B 143 -2.978 2.301 7.824 1.00 0.00 C ATOM 1513 CD LYS B 143 -1.790 2.487 8.782 1.00 0.00 C ATOM 1514 CE LYS B 143 -1.367 1.154 9.413 1.00 0.00 C ATOM 1515 NZ LYS B 143 -0.222 1.325 10.341 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.900 2.991 4.947 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.348 3.313 6.068 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.480 1.177 6.047 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -1.912 0.779 6.719 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -3.412 3.275 7.600 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -3.750 1.715 8.322 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -0.948 2.919 8.241 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -2.060 3.193 9.567 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -2.211 0.722 9.952 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -1.096 0.449 8.627 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 0.036 0.403 10.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 0.591 1.713 9.821 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -0.489 1.978 11.105 1.00 0.00 H new ATOM 1529 N SER B 144 -1.360 1.118 3.601 1.00 0.00 N ATOM 1530 CA SER B 144 -0.475 0.499 2.599 1.00 0.00 C ATOM 1531 C SER B 144 0.280 1.525 1.741 1.00 0.00 C ATOM 1532 O SER B 144 1.464 1.338 1.467 1.00 0.00 O ATOM 1533 CB SER B 144 -1.277 -0.477 1.727 1.00 0.00 C ATOM 1534 OG SER B 144 -2.404 0.142 1.134 1.00 0.00 O ATOM 0 H SER B 144 -2.351 0.935 3.444 1.00 0.00 H new ATOM 0 HA SER B 144 0.293 -0.051 3.142 1.00 0.00 H new ATOM 0 HB2 SER B 144 -0.632 -0.879 0.946 1.00 0.00 H new ATOM 0 HB3 SER B 144 -1.605 -1.320 2.335 1.00 0.00 H new ATOM 0 HG SER B 144 -3.223 -0.208 1.544 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.354 2.641 1.364 1.00 0.00 N ATOM 1541 CA LEU B 145 0.276 3.723 0.588 1.00 0.00 C ATOM 1542 C LEU B 145 1.415 4.412 1.367 1.00 0.00 C ATOM 1543 O LEU B 145 2.507 4.604 0.831 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.828 4.685 0.096 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.432 5.861 -0.823 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.139 7.064 -0.070 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.539 5.451 -1.930 1.00 0.00 C ATOM 0 H LEU B 145 -1.332 2.823 1.591 1.00 0.00 H new ATOM 0 HA LEU B 145 0.773 3.311 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.574 4.090 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.318 5.103 0.975 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.374 6.166 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.394 7.850 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.604 7.439 0.634 1.00 0.00 H new ATOM 0 HD13 LEU B 145 1.034 6.762 0.474 1.00 0.00 H new ATOM 0 HD21 LEU B 145 0.780 6.320 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.452 5.056 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.078 4.684 -2.553 1.00 0.00 H new ATOM 1559 N THR B 146 1.205 4.714 2.648 1.00 0.00 N ATOM 1560 CA THR B 146 2.243 5.248 3.545 1.00 0.00 C ATOM 1561 C THR B 146 3.425 4.289 3.679 1.00 0.00 C ATOM 1562 O THR B 146 4.574 4.722 3.627 1.00 0.00 O ATOM 1563 CB THR B 146 1.649 5.559 4.935 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.666 6.569 4.824 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.674 6.051 5.956 1.00 0.00 C ATOM 0 H THR B 146 0.300 4.595 3.103 1.00 0.00 H new ATOM 0 HA THR B 146 2.614 6.172 3.101 1.00 0.00 H new ATOM 0 HB THR B 146 1.240 4.612 5.288 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.155 6.186 4.451 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.176 6.247 6.906 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.440 5.289 6.098 1.00 0.00 H new ATOM 0 HG23 THR B 146 3.137 6.968 5.593 1.00 0.00 H new ATOM 1573 N GLU B 147 3.185 2.979 3.794 1.00 0.00 N ATOM 1574 CA GLU B 147 4.262 1.990 3.947 1.00 0.00 C ATOM 1575 C GLU B 147 5.161 1.873 2.701 1.00 0.00 C ATOM 1576 O GLU B 147 6.378 1.714 2.841 1.00 0.00 O ATOM 1577 CB GLU B 147 3.652 0.640 4.365 1.00 0.00 C ATOM 1578 CG GLU B 147 4.655 -0.463 4.754 1.00 0.00 C ATOM 1579 CD GLU B 147 5.389 -0.222 6.091 1.00 0.00 C ATOM 1580 OE1 GLU B 147 5.997 -1.175 6.628 1.00 0.00 O ATOM 1581 OE2 GLU B 147 5.368 0.912 6.630 1.00 0.00 O1- ATOM 0 H GLU B 147 2.249 2.575 3.784 1.00 0.00 H new ATOM 0 HA GLU B 147 4.932 2.334 4.735 1.00 0.00 H new ATOM 0 HB2 GLU B 147 2.985 0.811 5.210 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.038 0.272 3.543 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.125 -1.414 4.812 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.396 -0.559 3.960 1.00 0.00 H new ATOM 1588 N ILE B 148 4.610 2.045 1.493 1.00 0.00 N ATOM 1589 CA ILE B 148 5.396 2.148 0.246 1.00 0.00 C ATOM 1590 C ILE B 148 6.393 3.317 0.346 1.00 0.00 C ATOM 1591 O ILE B 148 7.589 3.142 0.091 1.00 0.00 O ATOM 1592 CB ILE B 148 4.471 2.306 -0.991 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.631 1.038 -1.227 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.279 2.642 -2.259 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.411 1.272 -2.131 1.00 0.00 C ATOM 0 H ILE B 148 3.603 2.118 1.347 1.00 0.00 H new ATOM 0 HA ILE B 148 5.957 1.223 0.115 1.00 0.00 H new ATOM 0 HB ILE B 148 3.797 3.136 -0.780 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.263 0.271 -1.674 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.292 0.652 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.601 2.746 -3.106 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.818 3.577 -2.110 1.00 0.00 H new ATOM 0 HG23 ILE B 148 5.990 1.841 -2.460 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.865 0.337 -2.254 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.758 2.016 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.744 1.629 -3.106 1.00 0.00 H new ATOM 1607 N LYS B 149 5.921 4.499 0.756 1.00 0.00 N ATOM 1608 CA LYS B 149 6.724 5.724 0.877 1.00 0.00 C ATOM 1609 C LYS B 149 7.798 5.612 1.966 1.00 0.00 C ATOM 1610 O LYS B 149 8.939 6.018 1.732 1.00 0.00 O ATOM 1611 CB LYS B 149 5.796 6.928 1.108 1.00 0.00 C ATOM 1612 CG LYS B 149 4.928 7.219 -0.126 1.00 0.00 C ATOM 1613 CD LYS B 149 3.948 8.370 0.132 1.00 0.00 C ATOM 1614 CE LYS B 149 3.069 8.667 -1.092 1.00 0.00 C ATOM 1615 NZ LYS B 149 3.832 9.305 -2.198 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.945 4.635 1.020 1.00 0.00 H new ATOM 0 HA LYS B 149 7.264 5.872 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS B 149 5.154 6.734 1.967 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.393 7.807 1.349 1.00 0.00 H new ATOM 0 HG2 LYS B 149 5.569 7.469 -0.972 1.00 0.00 H new ATOM 0 HG3 LYS B 149 4.373 6.322 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS B 149 3.313 8.121 0.982 1.00 0.00 H new ATOM 0 HD3 LYS B 149 4.506 9.266 0.403 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.624 7.739 -1.450 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.248 9.321 -0.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 3.176 9.815 -2.824 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.523 9.974 -1.802 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.331 8.573 -2.743 1.00 0.00 H new ATOM 1629 N ARG B 150 7.487 5.003 3.120 1.00 0.00 N ATOM 1630 CA ARG B 150 8.456 4.722 4.208 1.00 0.00 C ATOM 1631 C ARG B 150 9.618 3.844 3.739 1.00 0.00 C ATOM 1632 O ARG B 150 10.776 4.188 3.975 1.00 0.00 O ATOM 1633 CB ARG B 150 7.759 4.047 5.406 1.00 0.00 C ATOM 1634 CG ARG B 150 6.864 5.015 6.198 1.00 0.00 C ATOM 1635 CD ARG B 150 6.220 4.326 7.408 1.00 0.00 C ATOM 1636 NE ARG B 150 7.212 4.055 8.472 1.00 0.00 N ATOM 1637 CZ ARG B 150 7.694 2.891 8.881 1.00 0.00 C ATOM 1638 NH1 ARG B 150 7.321 1.745 8.396 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 8.597 2.860 9.821 1.00 0.00 N ATOM 0 H ARG B 150 6.542 4.684 3.334 1.00 0.00 H new ATOM 0 HA ARG B 150 8.861 5.686 4.516 1.00 0.00 H new ATOM 0 HB2 ARG B 150 7.156 3.213 5.047 1.00 0.00 H new ATOM 0 HB3 ARG B 150 8.514 3.630 6.072 1.00 0.00 H new ATOM 0 HG2 ARG B 150 7.456 5.866 6.535 1.00 0.00 H new ATOM 0 HG3 ARG B 150 6.085 5.408 5.545 1.00 0.00 H new ATOM 0 HD2 ARG B 150 5.423 4.955 7.804 1.00 0.00 H new ATOM 0 HD3 ARG B 150 5.760 3.390 7.092 1.00 0.00 H new ATOM 0 HE ARG B 150 7.574 4.876 8.956 1.00 0.00 H new ATOM 0 HH11 ARG B 150 6.619 1.708 7.657 1.00 0.00 H new ATOM 0 HH12 ARG B 150 7.731 0.882 8.754 1.00 0.00 H new ATOM 0 HH21 ARG B 150 8.929 3.730 10.238 1.00 0.00 H new ATOM 0 HH22 ARG B 150 8.971 1.966 10.139 1.00 0.00 H new ATOM 1653 N LEU B 151 9.330 2.746 3.033 1.00 0.00 N ATOM 1654 CA LEU B 151 10.363 1.814 2.563 1.00 0.00 C ATOM 1655 C LEU B 151 11.233 2.404 1.441 1.00 0.00 C ATOM 1656 O LEU B 151 12.445 2.176 1.435 1.00 0.00 O ATOM 1657 CB LEU B 151 9.718 0.468 2.158 1.00 0.00 C ATOM 1658 CG LEU B 151 9.621 -0.575 3.288 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.002 -1.111 3.673 1.00 0.00 C ATOM 1660 CD2 LEU B 151 8.925 -0.072 4.554 1.00 0.00 C ATOM 0 H LEU B 151 8.381 2.478 2.772 1.00 0.00 H new ATOM 0 HA LEU B 151 11.047 1.631 3.392 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.715 0.663 1.777 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.293 0.039 1.337 1.00 0.00 H new ATOM 0 HG LEU B 151 9.003 -1.369 2.869 1.00 0.00 H new ATOM 0 HD11 LEU B 151 10.898 -1.844 4.473 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.464 -1.583 2.806 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.629 -0.288 4.015 1.00 0.00 H new ATOM 0 HD21 LEU B 151 8.900 -0.869 5.297 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.472 0.781 4.955 1.00 0.00 H new ATOM 0 HD23 LEU B 151 7.906 0.231 4.313 1.00 0.00 H new ATOM 1672 N LYS B 152 10.659 3.208 0.538 1.00 0.00 N ATOM 1673 CA LYS B 152 11.428 3.953 -0.474 1.00 0.00 C ATOM 1674 C LYS B 152 12.357 4.995 0.150 1.00 0.00 C ATOM 1675 O LYS B 152 13.524 5.074 -0.238 1.00 0.00 O ATOM 1676 CB LYS B 152 10.472 4.590 -1.494 1.00 0.00 C ATOM 1677 CG LYS B 152 9.909 3.514 -2.429 1.00 0.00 C ATOM 1678 CD LYS B 152 8.957 4.083 -3.482 1.00 0.00 C ATOM 1679 CE LYS B 152 8.400 2.924 -4.315 1.00 0.00 C ATOM 1680 NZ LYS B 152 7.508 3.409 -5.393 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.652 3.362 0.486 1.00 0.00 H new ATOM 0 HA LYS B 152 12.073 3.243 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.657 5.095 -0.975 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.998 5.348 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.734 3.005 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS B 152 9.383 2.764 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS B 152 8.145 4.629 -3.002 1.00 0.00 H new ATOM 0 HD3 LYS B 152 9.482 4.792 -4.123 1.00 0.00 H new ATOM 0 HE2 LYS B 152 9.224 2.359 -4.750 1.00 0.00 H new ATOM 0 HE3 LYS B 152 7.851 2.240 -3.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 6.883 2.636 -5.701 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 6.932 4.199 -5.038 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 8.081 3.733 -6.198 1.00 0.00 H new ATOM 1694 N ALA B 153 11.892 5.733 1.160 1.00 0.00 N ATOM 1695 CA ALA B 153 12.728 6.675 1.910 1.00 0.00 C ATOM 1696 C ALA B 153 13.890 5.973 2.644 1.00 0.00 C ATOM 1697 O ALA B 153 15.027 6.442 2.585 1.00 0.00 O ATOM 1698 CB ALA B 153 11.834 7.464 2.876 1.00 0.00 C ATOM 0 H ALA B 153 10.925 5.695 1.482 1.00 0.00 H new ATOM 0 HA ALA B 153 13.200 7.364 1.209 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.443 8.169 3.441 1.00 0.00 H new ATOM 0 HB2 ALA B 153 11.079 8.009 2.310 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.344 6.775 3.564 1.00 0.00 H new ATOM 1704 N ALA B 154 13.638 4.820 3.270 1.00 0.00 N ATOM 1705 CA ALA B 154 14.664 4.020 3.950 1.00 0.00 C ATOM 1706 C ALA B 154 15.716 3.464 2.969 1.00 0.00 C ATOM 1707 O ALA B 154 16.918 3.586 3.222 1.00 0.00 O ATOM 1708 CB ALA B 154 13.970 2.900 4.738 1.00 0.00 C ATOM 0 H ALA B 154 12.705 4.410 3.320 1.00 0.00 H new ATOM 0 HA ALA B 154 15.215 4.661 4.639 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.720 2.296 5.249 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.294 3.337 5.473 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.403 2.270 4.052 1.00 0.00 H new ATOM 1714 N ASN B 155 15.281 2.908 1.830 1.00 0.00 N ATOM 1715 CA ASN B 155 16.151 2.387 0.769 1.00 0.00 C ATOM 1716 C ASN B 155 17.044 3.496 0.177 1.00 0.00 C ATOM 1717 O ASN B 155 18.245 3.299 -0.019 1.00 0.00 O ATOM 1718 CB ASN B 155 15.235 1.713 -0.281 1.00 0.00 C ATOM 1719 CG ASN B 155 15.970 0.847 -1.298 1.00 0.00 C ATOM 1720 OD1 ASN B 155 17.040 1.171 -1.796 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.416 -0.292 -1.653 1.00 0.00 N ATOM 0 H ASN B 155 14.289 2.806 1.616 1.00 0.00 H new ATOM 0 HA ASN B 155 16.851 1.649 1.161 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.500 1.097 0.238 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.683 2.487 -0.814 1.00 0.00 H new ATOM 0 HD21 ASN B 155 15.878 -0.893 -2.335 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.524 -0.574 -1.246 1.00 0.00 H new ATOM 1728 N GLN B 156 16.497 4.699 -0.022 1.00 0.00 N ATOM 1729 CA GLN B 156 17.254 5.873 -0.468 1.00 0.00 C ATOM 1730 C GLN B 156 18.301 6.319 0.575 1.00 0.00 C ATOM 1731 O GLN B 156 19.449 6.584 0.213 1.00 0.00 O ATOM 1732 CB GLN B 156 16.256 6.988 -0.844 1.00 0.00 C ATOM 1733 CG GLN B 156 16.859 8.158 -1.643 1.00 0.00 C ATOM 1734 CD GLN B 156 17.685 9.177 -0.851 1.00 0.00 C ATOM 1735 OE1 GLN B 156 18.667 9.722 -1.341 1.00 0.00 O ATOM 1736 NE2 GLN B 156 17.342 9.495 0.380 1.00 0.00 N ATOM 0 H GLN B 156 15.505 4.887 0.124 1.00 0.00 H new ATOM 0 HA GLN B 156 17.837 5.619 -1.353 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.446 6.549 -1.427 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.813 7.382 0.071 1.00 0.00 H new ATOM 0 HG2 GLN B 156 17.491 7.744 -2.428 1.00 0.00 H new ATOM 0 HG3 GLN B 156 16.045 8.689 -2.136 1.00 0.00 H new ATOM 0 HE21 GLN B 156 16.529 9.056 0.812 1.00 0.00 H new ATOM 0 HE22 GLN B 156 17.889 10.180 0.901 1.00 0.00 H new