USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 230 THR OG1 : rot 180:sc= 0.304 USER MOD Set 1.2: A 233 GLN : amide:sc= -0.21 K(o=0.094,f=1.9) USER MOD Single : A 158 HIS : no HE2:sc= -4.52! C(o=-4.5!,f=-6.3!) USER MOD Single : A 175 TYR OH : rot 180:sc= 0 USER MOD Single : A 180 THR OG1 : rot 180:sc= 0 USER MOD Single : A 181 SER OG : rot 117:sc= 1.14 USER MOD Single : A 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 198 SER OG : rot 180:sc= -0.0141 USER MOD Single : A 208 SER OG : rot 180:sc= 0 USER MOD Single : A 209 THR OG1 : rot 170:sc= -0.0562 USER MOD Single : A 215 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 222 ASN : amide:sc= 1.84 K(o=1.8,f=-6.4!) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 237 MET CE :methyl -176:sc= 0 (180deg=-0.0385) USER MOD Single : A 238 MET CE :methyl -135:sc= 0 (180deg=-0.231) USER MOD Single : A 241 ASN : amide:sc= -0.891 X(o=-0.89,f=-0.73) USER MOD Single : A 242 SER OG : rot -96:sc= 1.25 USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 ASN : amide:sc= -0.0537 X(o=-0.054,f=-0.14) USER MOD Single : A 248 THR OG1 : rot -170:sc= -1.75! USER MOD Single : A 250 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 158 -10.156 -7.185 -3.270 1.00 73.24 N ATOM 29 CA HIS A 158 -8.961 -6.788 -3.978 1.00 71.04 C ATOM 30 C HIS A 158 -9.300 -5.736 -5.002 1.00 5.42 C ATOM 31 O HIS A 158 -10.216 -5.916 -5.804 1.00 22.32 O ATOM 32 CB HIS A 158 -8.291 -7.977 -4.678 1.00 11.41 C ATOM 33 CG HIS A 158 -7.244 -8.688 -3.886 1.00 75.42 C ATOM 34 ND1 HIS A 158 -7.485 -9.567 -2.857 1.00 70.20 N ATOM 35 CD2 HIS A 158 -5.910 -8.627 -3.998 1.00 41.32 C ATOM 36 CE1 HIS A 158 -6.327 -9.996 -2.391 1.00 54.50 C ATOM 37 NE2 HIS A 158 -5.377 -9.446 -3.070 1.00 11.04 N ATOM 0 HA HIS A 158 -8.262 -6.388 -3.244 1.00 71.04 H new ATOM 0 HB2 HIS A 158 -9.063 -8.696 -4.953 1.00 11.41 H new ATOM 0 HB3 HIS A 158 -7.841 -7.623 -5.605 1.00 11.41 H new ATOM 0 HD1 HIS A 158 -8.405 -9.842 -2.511 1.00 70.20 H new ATOM 0 HD2 HIS A 158 -5.359 -8.027 -4.707 1.00 41.32 H new ATOM 0 HE1 HIS A 158 -6.196 -10.692 -1.576 1.00 54.50 H new ATOM 46 N ARG A 159 -8.588 -4.644 -4.969 1.00 55.11 N ATOM 47 CA ARG A 159 -8.741 -3.597 -5.969 1.00 23.43 C ATOM 48 C ARG A 159 -7.418 -2.939 -6.272 1.00 20.13 C ATOM 49 O ARG A 159 -6.582 -2.788 -5.377 1.00 32.40 O ATOM 50 CB ARG A 159 -9.788 -2.555 -5.549 1.00 63.41 C ATOM 51 CG ARG A 159 -9.923 -1.376 -6.513 1.00 42.11 C ATOM 52 CD ARG A 159 -11.044 -0.450 -6.112 1.00 63.24 C ATOM 53 NE ARG A 159 -12.348 -1.103 -6.223 1.00 2.31 N ATOM 54 CZ ARG A 159 -13.475 -0.654 -5.669 1.00 53.21 C ATOM 55 NH1 ARG A 159 -13.451 0.420 -4.880 1.00 24.54 N ATOM 56 NH2 ARG A 159 -14.616 -1.295 -5.878 1.00 3.42 N ATOM 0 H ARG A 159 -7.886 -4.445 -4.256 1.00 55.11 H new ATOM 0 HA ARG A 159 -9.102 -4.072 -6.881 1.00 23.43 H new ATOM 0 HB2 ARG A 159 -10.756 -3.047 -5.457 1.00 63.41 H new ATOM 0 HB3 ARG A 159 -9.529 -2.174 -4.561 1.00 63.41 H new ATOM 0 HG2 ARG A 159 -8.985 -0.821 -6.542 1.00 42.11 H new ATOM 0 HG3 ARG A 159 -10.103 -1.750 -7.521 1.00 42.11 H new ATOM 0 HD2 ARG A 159 -10.890 -0.115 -5.086 1.00 63.24 H new ATOM 0 HD3 ARG A 159 -11.026 0.438 -6.743 1.00 63.24 H new ATOM 0 HE ARG A 159 -12.399 -1.966 -6.764 1.00 2.31 H new ATOM 0 HH11 ARG A 159 -12.570 0.900 -4.699 1.00 24.54 H new ATOM 0 HH12 ARG A 159 -14.314 0.762 -4.457 1.00 24.54 H new ATOM 0 HH21 ARG A 159 -14.632 -2.131 -6.462 1.00 3.42 H new ATOM 0 HH22 ARG A 159 -15.478 -0.952 -5.455 1.00 3.42 H new ATOM 68 N ARG A 160 -7.214 -2.569 -7.523 1.00 22.13 N ATOM 69 CA ARG A 160 -6.021 -1.841 -7.907 1.00 71.42 C ATOM 70 C ARG A 160 -6.387 -0.482 -8.458 1.00 53.20 C ATOM 71 O ARG A 160 -7.219 -0.370 -9.354 1.00 71.21 O ATOM 72 CB ARG A 160 -5.071 -2.600 -8.885 1.00 71.42 C ATOM 73 CG ARG A 160 -5.603 -2.937 -10.286 1.00 64.31 C ATOM 74 CD ARG A 160 -6.691 -3.987 -10.268 1.00 70.40 C ATOM 75 NE ARG A 160 -7.123 -4.342 -11.616 1.00 51.15 N ATOM 76 CZ ARG A 160 -7.631 -5.522 -11.971 1.00 0.51 C ATOM 77 NH1 ARG A 160 -7.746 -6.500 -11.080 1.00 71.23 N ATOM 78 NH2 ARG A 160 -7.999 -5.732 -13.226 1.00 1.04 N ATOM 0 H ARG A 160 -7.859 -2.761 -8.289 1.00 22.13 H new ATOM 0 HA ARG A 160 -5.444 -1.728 -6.989 1.00 71.42 H new ATOM 0 HB2 ARG A 160 -4.168 -2.002 -9.005 1.00 71.42 H new ATOM 0 HB3 ARG A 160 -4.774 -3.533 -8.406 1.00 71.42 H new ATOM 0 HG2 ARG A 160 -5.989 -2.029 -10.750 1.00 64.31 H new ATOM 0 HG3 ARG A 160 -4.778 -3.287 -10.907 1.00 64.31 H new ATOM 0 HD2 ARG A 160 -6.328 -4.878 -9.756 1.00 70.40 H new ATOM 0 HD3 ARG A 160 -7.544 -3.617 -9.698 1.00 70.40 H new ATOM 0 HE ARG A 160 -7.029 -3.632 -12.343 1.00 51.15 H new ATOM 0 HH11 ARG A 160 -7.445 -6.351 -10.117 1.00 71.23 H new ATOM 0 HH12 ARG A 160 -8.136 -7.401 -11.359 1.00 71.23 H new ATOM 0 HH21 ARG A 160 -7.893 -4.991 -13.919 1.00 1.04 H new ATOM 0 HH22 ARG A 160 -8.388 -6.634 -13.499 1.00 1.04 H new ATOM 90 N VAL A 161 -5.787 0.534 -7.910 1.00 74.41 N ATOM 91 CA VAL A 161 -6.022 1.907 -8.329 1.00 13.05 C ATOM 92 C VAL A 161 -4.743 2.572 -8.765 1.00 41.22 C ATOM 93 O VAL A 161 -3.686 2.360 -8.158 1.00 62.42 O ATOM 94 CB VAL A 161 -6.705 2.772 -7.233 1.00 5.53 C ATOM 95 CG1 VAL A 161 -8.152 2.378 -7.054 1.00 31.44 C ATOM 96 CG2 VAL A 161 -5.968 2.643 -5.902 1.00 34.41 C ATOM 0 H VAL A 161 -5.112 0.444 -7.151 1.00 74.41 H new ATOM 0 HA VAL A 161 -6.708 1.842 -9.174 1.00 13.05 H new ATOM 0 HB VAL A 161 -6.664 3.811 -7.561 1.00 5.53 H new ATOM 0 HG11 VAL A 161 -8.605 2.999 -6.281 1.00 31.44 H new ATOM 0 HG12 VAL A 161 -8.687 2.520 -7.993 1.00 31.44 H new ATOM 0 HG13 VAL A 161 -8.210 1.331 -6.758 1.00 31.44 H new ATOM 0 HG21 VAL A 161 -6.464 3.257 -5.150 1.00 34.41 H new ATOM 0 HG22 VAL A 161 -5.975 1.601 -5.582 1.00 34.41 H new ATOM 0 HG23 VAL A 161 -4.938 2.979 -6.022 1.00 34.41 H new ATOM 102 N ARG A 162 -4.823 3.335 -9.832 1.00 62.04 N ATOM 103 CA ARG A 162 -3.685 4.075 -10.314 1.00 3.54 C ATOM 104 C ARG A 162 -3.698 5.470 -9.707 1.00 35.01 C ATOM 105 O ARG A 162 -4.624 6.252 -9.943 1.00 30.34 O ATOM 106 CB ARG A 162 -3.694 4.179 -11.832 1.00 3.45 C ATOM 107 CG ARG A 162 -2.419 4.789 -12.391 1.00 74.43 C ATOM 108 CD ARG A 162 -2.494 4.984 -13.896 1.00 30.52 C ATOM 109 NE ARG A 162 -2.728 3.737 -14.612 1.00 71.42 N ATOM 110 CZ ARG A 162 -2.421 3.525 -15.896 1.00 2.12 C ATOM 111 NH1 ARG A 162 -1.806 4.471 -16.618 1.00 41.24 N ATOM 112 NH2 ARG A 162 -2.722 2.372 -16.454 1.00 23.32 N ATOM 0 H ARG A 162 -5.672 3.458 -10.384 1.00 62.04 H new ATOM 0 HA ARG A 162 -2.780 3.545 -10.017 1.00 3.54 H new ATOM 0 HB2 ARG A 162 -3.833 3.185 -12.258 1.00 3.45 H new ATOM 0 HB3 ARG A 162 -4.547 4.782 -12.145 1.00 3.45 H new ATOM 0 HG2 ARG A 162 -2.235 5.750 -11.910 1.00 74.43 H new ATOM 0 HG3 ARG A 162 -1.573 4.145 -12.151 1.00 74.43 H new ATOM 0 HD2 ARG A 162 -3.294 5.687 -14.128 1.00 30.52 H new ATOM 0 HD3 ARG A 162 -1.564 5.431 -14.247 1.00 30.52 H new ATOM 0 HE ARG A 162 -3.158 2.969 -14.096 1.00 71.42 H new ATOM 0 HH11 ARG A 162 -1.567 5.365 -16.189 1.00 41.24 H new ATOM 0 HH12 ARG A 162 -1.577 4.297 -17.597 1.00 41.24 H new ATOM 0 HH21 ARG A 162 -3.187 1.647 -15.908 1.00 23.32 H new ATOM 0 HH22 ARG A 162 -2.491 2.203 -17.433 1.00 23.32 H new ATOM 124 N LEU A 163 -2.705 5.751 -8.936 1.00 60.51 N ATOM 125 CA LEU A 163 -2.541 7.001 -8.253 1.00 2.41 C ATOM 126 C LEU A 163 -1.431 7.730 -8.931 1.00 72.23 C ATOM 127 O LEU A 163 -0.461 7.093 -9.325 1.00 35.42 O ATOM 128 CB LEU A 163 -2.086 6.736 -6.818 1.00 40.44 C ATOM 129 CG LEU A 163 -2.828 5.638 -6.077 1.00 72.30 C ATOM 130 CD1 LEU A 163 -2.317 5.529 -4.683 1.00 11.35 C ATOM 131 CD2 LEU A 163 -4.329 5.847 -6.095 1.00 12.33 C ATOM 0 H LEU A 163 -1.949 5.092 -8.752 1.00 60.51 H new ATOM 0 HA LEU A 163 -3.476 7.561 -8.261 1.00 2.41 H new ATOM 0 HB2 LEU A 163 -1.026 6.483 -6.835 1.00 40.44 H new ATOM 0 HB3 LEU A 163 -2.184 7.661 -6.250 1.00 40.44 H new ATOM 0 HG LEU A 163 -2.639 4.699 -6.597 1.00 72.30 H new ATOM 0 HD11 LEU A 163 -2.855 4.739 -4.159 1.00 11.35 H new ATOM 0 HD12 LEU A 163 -1.253 5.292 -4.703 1.00 11.35 H new ATOM 0 HD13 LEU A 163 -2.468 6.476 -4.165 1.00 11.35 H new ATOM 0 HD21 LEU A 163 -4.816 5.036 -5.553 1.00 12.33 H new ATOM 0 HD22 LEU A 163 -4.570 6.798 -5.619 1.00 12.33 H new ATOM 0 HD23 LEU A 163 -4.683 5.857 -7.126 1.00 12.33 H new ATOM 139 N LEU A 164 -1.582 9.024 -9.125 1.00 63.12 N ATOM 140 CA LEU A 164 -0.527 9.859 -9.643 1.00 42.43 C ATOM 141 C LEU A 164 -0.306 9.499 -11.103 1.00 23.35 C ATOM 142 O LEU A 164 0.549 8.694 -11.458 1.00 63.33 O ATOM 143 CB LEU A 164 0.764 9.705 -8.786 1.00 74.14 C ATOM 144 CG LEU A 164 1.804 10.839 -8.809 1.00 20.12 C ATOM 145 CD1 LEU A 164 2.413 11.020 -10.166 1.00 55.53 C ATOM 146 CD2 LEU A 164 1.203 12.143 -8.302 1.00 32.24 C ATOM 0 H LEU A 164 -2.447 9.526 -8.925 1.00 63.12 H new ATOM 0 HA LEU A 164 -0.806 10.911 -9.584 1.00 42.43 H new ATOM 0 HB2 LEU A 164 0.458 9.558 -7.750 1.00 74.14 H new ATOM 0 HB3 LEU A 164 1.265 8.790 -9.104 1.00 74.14 H new ATOM 0 HG LEU A 164 2.608 10.548 -8.133 1.00 20.12 H new ATOM 0 HD11 LEU A 164 3.141 11.831 -10.133 1.00 55.53 H new ATOM 0 HD12 LEU A 164 2.910 10.098 -10.467 1.00 55.53 H new ATOM 0 HD13 LEU A 164 1.632 11.263 -10.886 1.00 55.53 H new ATOM 0 HD21 LEU A 164 1.960 12.927 -8.329 1.00 32.24 H new ATOM 0 HD22 LEU A 164 0.363 12.427 -8.936 1.00 32.24 H new ATOM 0 HD23 LEU A 164 0.855 12.009 -7.278 1.00 32.24 H new ATOM 260 N LEU A 172 1.328 11.270 -2.308 1.00 20.40 N ATOM 261 CA LEU A 172 0.236 10.456 -2.807 1.00 53.15 C ATOM 262 C LEU A 172 -0.954 10.507 -1.909 1.00 43.44 C ATOM 263 O LEU A 172 -2.067 10.151 -2.310 1.00 0.30 O ATOM 264 CB LEU A 172 0.653 8.999 -2.988 1.00 45.43 C ATOM 265 CG LEU A 172 1.723 8.680 -4.032 1.00 42.51 C ATOM 266 CD1 LEU A 172 1.330 9.229 -5.382 1.00 63.50 C ATOM 267 CD2 LEU A 172 3.112 9.142 -3.610 1.00 45.42 C ATOM 0 HA LEU A 172 -0.031 10.877 -3.776 1.00 53.15 H new ATOM 0 HB2 LEU A 172 1.007 8.632 -2.025 1.00 45.43 H new ATOM 0 HB3 LEU A 172 -0.239 8.426 -3.239 1.00 45.43 H new ATOM 0 HG LEU A 172 1.783 7.595 -4.113 1.00 42.51 H new ATOM 0 HD11 LEU A 172 2.105 8.991 -6.111 1.00 63.50 H new ATOM 0 HD12 LEU A 172 0.387 8.782 -5.696 1.00 63.50 H new ATOM 0 HD13 LEU A 172 1.214 10.311 -5.315 1.00 63.50 H new ATOM 0 HD21 LEU A 172 3.832 8.890 -4.389 1.00 45.42 H new ATOM 0 HD22 LEU A 172 3.106 10.221 -3.458 1.00 45.42 H new ATOM 0 HD23 LEU A 172 3.394 8.646 -2.681 1.00 45.42 H new ATOM 275 N GLY A 173 -0.741 10.915 -0.702 1.00 53.23 N ATOM 276 CA GLY A 173 -1.825 10.991 0.204 1.00 32.54 C ATOM 277 C GLY A 173 -1.893 9.801 1.085 1.00 20.54 C ATOM 278 O GLY A 173 -2.920 9.547 1.694 1.00 25.13 O ATOM 0 H GLY A 173 0.165 11.197 -0.328 1.00 53.23 H new ATOM 0 HA2 GLY A 173 -1.726 11.889 0.814 1.00 32.54 H new ATOM 0 HA3 GLY A 173 -2.758 11.085 -0.353 1.00 32.54 H new ATOM 282 N PHE A 174 -0.817 9.064 1.158 1.00 41.40 N ATOM 283 CA PHE A 174 -0.779 7.909 1.995 1.00 51.22 C ATOM 284 C PHE A 174 0.652 7.574 2.314 1.00 51.30 C ATOM 285 O PHE A 174 1.579 7.987 1.599 1.00 33.35 O ATOM 286 CB PHE A 174 -1.468 6.678 1.336 1.00 21.02 C ATOM 287 CG PHE A 174 -0.695 6.022 0.185 1.00 12.22 C ATOM 288 CD1 PHE A 174 -0.863 6.430 -1.127 1.00 25.31 C ATOM 289 CD2 PHE A 174 0.206 4.992 0.441 1.00 2.13 C ATOM 290 CE1 PHE A 174 -0.145 5.824 -2.155 1.00 41.40 C ATOM 291 CE2 PHE A 174 0.917 4.395 -0.582 1.00 42.50 C ATOM 292 CZ PHE A 174 0.740 4.814 -1.875 1.00 13.44 C ATOM 0 H PHE A 174 0.044 9.249 0.644 1.00 41.40 H new ATOM 0 HA PHE A 174 -1.330 8.142 2.906 1.00 51.22 H new ATOM 0 HB2 PHE A 174 -1.643 5.927 2.106 1.00 21.02 H new ATOM 0 HB3 PHE A 174 -2.445 6.987 0.964 1.00 21.02 H new ATOM 0 HD1 PHE A 174 -1.557 7.225 -1.355 1.00 25.31 H new ATOM 0 HD2 PHE A 174 0.352 4.654 1.456 1.00 2.13 H new ATOM 0 HE1 PHE A 174 -0.285 6.150 -3.175 1.00 41.40 H new ATOM 0 HE2 PHE A 174 1.612 3.598 -0.363 1.00 42.50 H new ATOM 0 HZ PHE A 174 1.298 4.349 -2.674 1.00 13.44 H new ATOM 302 N TYR A 175 0.826 6.882 3.380 1.00 43.55 N ATOM 303 CA TYR A 175 2.086 6.341 3.774 1.00 52.32 C ATOM 304 C TYR A 175 1.893 4.900 4.073 1.00 53.25 C ATOM 305 O TYR A 175 0.760 4.465 4.340 1.00 52.01 O ATOM 306 CB TYR A 175 2.650 7.046 4.993 1.00 22.12 C ATOM 307 CG TYR A 175 3.010 8.473 4.756 1.00 43.02 C ATOM 308 CD1 TYR A 175 4.279 8.815 4.311 1.00 65.44 C ATOM 309 CD2 TYR A 175 2.095 9.480 4.967 1.00 12.24 C ATOM 310 CE1 TYR A 175 4.619 10.125 4.080 1.00 64.24 C ATOM 311 CE2 TYR A 175 2.430 10.791 4.739 1.00 44.02 C ATOM 312 CZ TYR A 175 3.688 11.109 4.299 1.00 73.13 C ATOM 313 OH TYR A 175 4.013 12.421 4.062 1.00 74.34 O ATOM 0 H TYR A 175 0.070 6.666 4.030 1.00 43.55 H new ATOM 0 HA TYR A 175 2.800 6.482 2.963 1.00 52.32 H new ATOM 0 HB2 TYR A 175 1.919 6.996 5.800 1.00 22.12 H new ATOM 0 HB3 TYR A 175 3.536 6.510 5.332 1.00 22.12 H new ATOM 0 HD1 TYR A 175 5.011 8.039 4.144 1.00 65.44 H new ATOM 0 HD2 TYR A 175 1.103 9.235 5.316 1.00 12.24 H new ATOM 0 HE1 TYR A 175 5.609 10.378 3.730 1.00 64.24 H new ATOM 0 HE2 TYR A 175 1.703 11.572 4.906 1.00 44.02 H new ATOM 0 HH TYR A 175 3.242 12.991 4.266 1.00 74.34 H new ATOM 323 N ILE A 176 2.943 4.153 4.023 1.00 24.34 N ATOM 324 CA ILE A 176 2.852 2.748 4.268 1.00 60.51 C ATOM 325 C ILE A 176 3.680 2.345 5.472 1.00 25.11 C ATOM 326 O ILE A 176 4.563 3.080 5.930 1.00 4.14 O ATOM 327 CB ILE A 176 3.218 1.848 3.034 1.00 23.21 C ATOM 328 CG1 ILE A 176 4.721 1.892 2.652 1.00 21.30 C ATOM 329 CG2 ILE A 176 2.339 2.170 1.836 1.00 24.31 C ATOM 330 CD1 ILE A 176 5.261 3.239 2.288 1.00 3.05 C ATOM 0 H ILE A 176 3.882 4.492 3.813 1.00 24.34 H new ATOM 0 HA ILE A 176 1.797 2.567 4.472 1.00 60.51 H new ATOM 0 HB ILE A 176 3.019 0.823 3.347 1.00 23.21 H new ATOM 0 HG12 ILE A 176 5.301 1.503 3.489 1.00 21.30 H new ATOM 0 HG13 ILE A 176 4.883 1.217 1.811 1.00 21.30 H new ATOM 0 HG21 ILE A 176 2.617 1.530 0.998 1.00 24.31 H new ATOM 0 HG22 ILE A 176 1.294 1.996 2.094 1.00 24.31 H new ATOM 0 HG23 ILE A 176 2.475 3.215 1.556 1.00 24.31 H new ATOM 0 HD11 ILE A 176 6.319 3.152 2.039 1.00 3.05 H new ATOM 0 HD12 ILE A 176 4.717 3.629 1.428 1.00 3.05 H new ATOM 0 HD13 ILE A 176 5.141 3.919 3.131 1.00 3.05 H new ATOM 337 N ARG A 177 3.394 1.189 5.942 1.00 71.41 N ATOM 338 CA ARG A 177 3.999 0.599 7.122 1.00 1.33 C ATOM 339 C ARG A 177 4.193 -0.874 6.902 1.00 62.32 C ATOM 340 O ARG A 177 3.475 -1.481 6.113 1.00 74.12 O ATOM 341 CB ARG A 177 3.108 0.795 8.363 1.00 73.10 C ATOM 342 CG ARG A 177 1.654 0.396 8.131 1.00 34.33 C ATOM 343 CD ARG A 177 0.854 0.291 9.404 1.00 25.23 C ATOM 344 NE ARG A 177 -0.576 0.012 9.116 1.00 5.21 N ATOM 345 CZ ARG A 177 -1.394 -0.784 9.835 1.00 73.01 C ATOM 346 NH1 ARG A 177 -0.939 -1.443 10.903 1.00 14.11 N ATOM 347 NH2 ARG A 177 -2.667 -0.931 9.462 1.00 33.05 N ATOM 0 H ARG A 177 2.699 0.582 5.507 1.00 71.41 H new ATOM 0 HA ARG A 177 4.956 1.093 7.292 1.00 1.33 H new ATOM 0 HB2 ARG A 177 3.511 0.208 9.188 1.00 73.10 H new ATOM 0 HB3 ARG A 177 3.146 1.841 8.668 1.00 73.10 H new ATOM 0 HG2 ARG A 177 1.184 1.128 7.474 1.00 34.33 H new ATOM 0 HG3 ARG A 177 1.626 -0.562 7.612 1.00 34.33 H new ATOM 0 HD2 ARG A 177 1.263 -0.502 10.030 1.00 25.23 H new ATOM 0 HD3 ARG A 177 0.940 1.219 9.969 1.00 25.23 H new ATOM 0 HE ARG A 177 -0.978 0.466 8.296 1.00 5.21 H new ATOM 0 HH11 ARG A 177 0.037 -1.348 11.183 1.00 14.11 H new ATOM 0 HH12 ARG A 177 -1.567 -2.042 11.439 1.00 14.11 H new ATOM 0 HH21 ARG A 177 -3.016 -0.443 8.637 1.00 33.05 H new ATOM 0 HH22 ARG A 177 -3.290 -1.532 10.002 1.00 33.05 H new ATOM 359 N ASP A 178 5.132 -1.438 7.590 1.00 1.02 N ATOM 360 CA ASP A 178 5.411 -2.860 7.487 1.00 42.23 C ATOM 361 C ASP A 178 5.023 -3.566 8.753 1.00 13.53 C ATOM 362 O ASP A 178 5.246 -3.062 9.861 1.00 5.22 O ATOM 363 CB ASP A 178 6.894 -3.118 7.166 1.00 73.25 C ATOM 364 CG ASP A 178 7.300 -4.585 7.314 1.00 60.23 C ATOM 365 OD1 ASP A 178 7.038 -5.391 6.410 1.00 32.33 O ATOM 366 OD2 ASP A 178 7.919 -4.938 8.363 1.00 31.51 O ATOM 0 H ASP A 178 5.735 -0.938 8.243 1.00 1.02 H new ATOM 0 HA ASP A 178 4.814 -3.256 6.666 1.00 42.23 H new ATOM 0 HB2 ASP A 178 7.099 -2.793 6.146 1.00 73.25 H new ATOM 0 HB3 ASP A 178 7.512 -2.509 7.825 1.00 73.25 H new ATOM 371 N GLY A 179 4.435 -4.691 8.587 1.00 64.52 N ATOM 372 CA GLY A 179 4.067 -5.544 9.659 1.00 74.35 C ATOM 373 C GLY A 179 4.236 -6.934 9.179 1.00 1.34 C ATOM 374 O GLY A 179 4.606 -7.133 8.017 1.00 0.41 O ATOM 0 H GLY A 179 4.187 -5.059 7.669 1.00 64.52 H new ATOM 0 HA2 GLY A 179 4.692 -5.358 10.532 1.00 74.35 H new ATOM 0 HA3 GLY A 179 3.035 -5.362 9.961 1.00 74.35 H new ATOM 378 N THR A 180 4.033 -7.899 9.984 1.00 25.43 N ATOM 379 CA THR A 180 4.163 -9.210 9.471 1.00 5.40 C ATOM 380 C THR A 180 2.757 -9.739 9.234 1.00 70.34 C ATOM 381 O THR A 180 1.933 -9.785 10.152 1.00 14.10 O ATOM 382 CB THR A 180 4.915 -10.115 10.436 1.00 14.42 C ATOM 383 OG1 THR A 180 5.786 -9.308 11.251 1.00 34.31 O ATOM 384 CG2 THR A 180 5.808 -11.063 9.652 1.00 11.02 C ATOM 0 H THR A 180 3.784 -7.819 10.970 1.00 25.43 H new ATOM 0 HA THR A 180 4.738 -9.193 8.545 1.00 5.40 H new ATOM 0 HB THR A 180 4.193 -10.665 11.040 1.00 14.42 H new ATOM 0 HG1 THR A 180 6.274 -9.883 11.877 1.00 34.31 H new ATOM 0 HG21 THR A 180 6.346 -11.711 10.343 1.00 11.02 H new ATOM 0 HG22 THR A 180 5.196 -11.672 8.986 1.00 11.02 H new ATOM 0 HG23 THR A 180 6.522 -10.487 9.064 1.00 11.02 H new ATOM 390 N SER A 181 2.495 -10.117 8.036 1.00 44.31 N ATOM 391 CA SER A 181 1.209 -10.566 7.644 1.00 24.43 C ATOM 392 C SER A 181 1.157 -12.070 7.757 1.00 43.40 C ATOM 393 O SER A 181 2.004 -12.758 7.209 1.00 33.44 O ATOM 394 CB SER A 181 0.946 -10.134 6.195 1.00 12.51 C ATOM 395 OG SER A 181 -0.364 -10.482 5.767 1.00 72.35 O ATOM 0 H SER A 181 3.184 -10.123 7.284 1.00 44.31 H new ATOM 0 HA SER A 181 0.445 -10.132 8.289 1.00 24.43 H new ATOM 0 HB2 SER A 181 1.082 -9.056 6.107 1.00 12.51 H new ATOM 0 HB3 SER A 181 1.679 -10.602 5.538 1.00 12.51 H new ATOM 0 HG SER A 181 -0.869 -9.667 5.565 1.00 72.35 H new ATOM 517 N LYS A 191 3.443 -16.270 8.537 1.00 52.22 N ATOM 518 CA LYS A 191 3.643 -14.878 8.795 1.00 11.33 C ATOM 519 C LYS A 191 4.837 -14.398 7.954 1.00 73.43 C ATOM 520 O LYS A 191 5.911 -14.999 7.994 1.00 62.32 O ATOM 521 CB LYS A 191 3.870 -14.685 10.297 1.00 13.23 C ATOM 522 CG LYS A 191 3.586 -13.296 10.797 1.00 34.42 C ATOM 523 CD LYS A 191 3.809 -13.168 12.299 1.00 21.11 C ATOM 524 CE LYS A 191 2.858 -14.056 13.097 1.00 63.32 C ATOM 525 NZ LYS A 191 3.043 -13.892 14.559 1.00 33.40 N ATOM 0 HA LYS A 191 2.773 -14.285 8.514 1.00 11.33 H new ATOM 0 HB2 LYS A 191 3.240 -15.389 10.840 1.00 13.23 H new ATOM 0 HB3 LYS A 191 4.904 -14.937 10.531 1.00 13.23 H new ATOM 0 HG2 LYS A 191 4.227 -12.586 10.274 1.00 34.42 H new ATOM 0 HG3 LYS A 191 2.556 -13.030 10.560 1.00 34.42 H new ATOM 0 HD2 LYS A 191 4.839 -13.435 12.536 1.00 21.11 H new ATOM 0 HD3 LYS A 191 3.672 -12.129 12.598 1.00 21.11 H new ATOM 0 HE2 LYS A 191 1.828 -13.815 12.832 1.00 63.32 H new ATOM 0 HE3 LYS A 191 3.021 -15.099 12.825 1.00 63.32 H new ATOM 0 HZ1 LYS A 191 2.379 -14.512 15.065 1.00 33.40 H new ATOM 0 HZ2 LYS A 191 4.018 -14.146 14.816 1.00 33.40 H new ATOM 0 HZ3 LYS A 191 2.862 -12.902 14.823 1.00 33.40 H new ATOM 539 N GLN A 192 4.651 -13.327 7.231 1.00 24.12 N ATOM 540 CA GLN A 192 5.618 -12.863 6.215 1.00 34.35 C ATOM 541 C GLN A 192 5.575 -11.346 6.143 1.00 53.12 C ATOM 542 O GLN A 192 4.647 -10.759 6.674 1.00 4.24 O ATOM 543 CB GLN A 192 5.241 -13.445 4.828 1.00 22.13 C ATOM 544 CG GLN A 192 3.871 -13.001 4.313 1.00 43.42 C ATOM 545 CD GLN A 192 3.571 -13.510 2.915 1.00 42.45 C ATOM 546 OE1 GLN A 192 3.024 -14.588 2.739 1.00 43.12 O ATOM 547 NE2 GLN A 192 3.915 -12.727 1.914 1.00 13.42 N ATOM 0 H GLN A 192 3.826 -12.733 7.314 1.00 24.12 H new ATOM 0 HA GLN A 192 6.619 -13.197 6.490 1.00 34.35 H new ATOM 0 HB2 GLN A 192 6.001 -13.151 4.104 1.00 22.13 H new ATOM 0 HB3 GLN A 192 5.260 -14.533 4.886 1.00 22.13 H new ATOM 0 HG2 GLN A 192 3.099 -13.356 4.996 1.00 43.42 H new ATOM 0 HG3 GLN A 192 3.823 -11.912 4.316 1.00 43.42 H new ATOM 0 HE21 GLN A 192 4.370 -11.833 2.099 1.00 13.42 H new ATOM 0 HE22 GLN A 192 3.726 -13.014 0.954 1.00 13.42 H new ATOM 555 N PRO A 193 6.569 -10.672 5.513 1.00 74.55 N ATOM 556 CA PRO A 193 6.537 -9.213 5.381 1.00 62.32 C ATOM 557 C PRO A 193 5.252 -8.762 4.675 1.00 70.43 C ATOM 558 O PRO A 193 4.858 -9.328 3.626 1.00 52.51 O ATOM 559 CB PRO A 193 7.759 -8.906 4.507 1.00 45.32 C ATOM 560 CG PRO A 193 8.670 -10.063 4.716 1.00 11.15 C ATOM 561 CD PRO A 193 7.779 -11.253 4.890 1.00 63.52 C ATOM 0 HA PRO A 193 6.556 -8.700 6.343 1.00 62.32 H new ATOM 0 HB2 PRO A 193 7.481 -8.805 3.458 1.00 45.32 H new ATOM 0 HB3 PRO A 193 8.233 -7.970 4.803 1.00 45.32 H new ATOM 0 HG2 PRO A 193 9.337 -10.195 3.864 1.00 11.15 H new ATOM 0 HG3 PRO A 193 9.299 -9.913 5.594 1.00 11.15 H new ATOM 0 HD2 PRO A 193 7.553 -11.731 3.937 1.00 63.52 H new ATOM 0 HD3 PRO A 193 8.237 -12.011 5.526 1.00 63.52 H new ATOM 569 N GLY A 194 4.611 -7.782 5.244 1.00 65.02 N ATOM 570 CA GLY A 194 3.387 -7.288 4.723 1.00 24.41 C ATOM 571 C GLY A 194 3.283 -5.825 4.940 1.00 73.35 C ATOM 572 O GLY A 194 3.469 -5.342 6.055 1.00 5.31 O ATOM 0 H GLY A 194 4.932 -7.306 6.087 1.00 65.02 H new ATOM 0 HA2 GLY A 194 3.323 -7.509 3.658 1.00 24.41 H new ATOM 0 HA3 GLY A 194 2.550 -7.793 5.204 1.00 24.41 H new ATOM 576 N ILE A 195 3.007 -5.122 3.906 1.00 4.15 N ATOM 577 CA ILE A 195 2.915 -3.713 3.985 1.00 33.52 C ATOM 578 C ILE A 195 1.467 -3.277 3.969 1.00 42.41 C ATOM 579 O ILE A 195 0.656 -3.791 3.205 1.00 53.14 O ATOM 580 CB ILE A 195 3.755 -2.985 2.882 1.00 33.13 C ATOM 581 CG1 ILE A 195 5.262 -3.255 3.043 1.00 63.35 C ATOM 582 CG2 ILE A 195 3.501 -1.496 2.868 1.00 32.41 C ATOM 583 CD1 ILE A 195 5.738 -4.631 2.622 1.00 73.42 C ATOM 0 H ILE A 195 2.838 -5.509 2.977 1.00 4.15 H new ATOM 0 HA ILE A 195 3.354 -3.413 4.936 1.00 33.52 H new ATOM 0 HB ILE A 195 3.428 -3.397 1.928 1.00 33.13 H new ATOM 0 HG12 ILE A 195 5.808 -2.510 2.464 1.00 63.35 H new ATOM 0 HG13 ILE A 195 5.528 -3.104 4.089 1.00 63.35 H new ATOM 0 HG21 ILE A 195 4.104 -1.031 2.088 1.00 32.41 H new ATOM 0 HG22 ILE A 195 2.446 -1.309 2.671 1.00 32.41 H new ATOM 0 HG23 ILE A 195 3.770 -1.072 3.835 1.00 32.41 H new ATOM 0 HD11 ILE A 195 6.814 -4.708 2.779 1.00 73.42 H new ATOM 0 HD12 ILE A 195 5.229 -5.390 3.217 1.00 73.42 H new ATOM 0 HD13 ILE A 195 5.514 -4.787 1.567 1.00 73.42 H new ATOM 590 N PHE A 196 1.160 -2.360 4.822 1.00 31.52 N ATOM 591 CA PHE A 196 -0.184 -1.858 4.987 1.00 63.25 C ATOM 592 C PHE A 196 -0.130 -0.355 4.887 1.00 33.54 C ATOM 593 O PHE A 196 0.963 0.235 4.923 1.00 13.23 O ATOM 594 CB PHE A 196 -0.724 -2.229 6.391 1.00 25.23 C ATOM 595 CG PHE A 196 -0.709 -3.700 6.738 1.00 41.31 C ATOM 596 CD1 PHE A 196 0.466 -4.319 7.153 1.00 1.45 C ATOM 597 CD2 PHE A 196 -1.861 -4.455 6.660 1.00 35.33 C ATOM 598 CE1 PHE A 196 0.488 -5.660 7.477 1.00 0.34 C ATOM 599 CE2 PHE A 196 -1.846 -5.799 6.987 1.00 30.33 C ATOM 600 CZ PHE A 196 -0.668 -6.401 7.395 1.00 52.13 C ATOM 0 H PHE A 196 1.841 -1.922 5.442 1.00 31.52 H new ATOM 0 HA PHE A 196 -0.833 -2.289 4.225 1.00 63.25 H new ATOM 0 HB2 PHE A 196 -0.137 -1.694 7.137 1.00 25.23 H new ATOM 0 HB3 PHE A 196 -1.749 -1.867 6.472 1.00 25.23 H new ATOM 0 HD1 PHE A 196 1.375 -3.741 7.223 1.00 1.45 H new ATOM 0 HD2 PHE A 196 -2.783 -3.992 6.341 1.00 35.33 H new ATOM 0 HE1 PHE A 196 1.409 -6.126 7.794 1.00 0.34 H new ATOM 0 HE2 PHE A 196 -2.755 -6.379 6.924 1.00 30.33 H new ATOM 0 HZ PHE A 196 -0.657 -7.451 7.649 1.00 52.13 H new ATOM 610 N ILE A 197 -1.265 0.260 4.761 1.00 74.54 N ATOM 611 CA ILE A 197 -1.352 1.705 4.762 1.00 11.24 C ATOM 612 C ILE A 197 -1.176 2.175 6.211 1.00 63.15 C ATOM 613 O ILE A 197 -1.766 1.621 7.125 1.00 44.13 O ATOM 614 CB ILE A 197 -2.714 2.195 4.197 1.00 70.42 C ATOM 615 CG1 ILE A 197 -2.941 1.691 2.754 1.00 44.35 C ATOM 616 CG2 ILE A 197 -2.832 3.722 4.258 1.00 0.30 C ATOM 617 CD1 ILE A 197 -1.954 2.203 1.734 1.00 62.00 C ATOM 0 H ILE A 197 -2.161 -0.216 4.654 1.00 74.54 H new ATOM 0 HA ILE A 197 -0.576 2.121 4.120 1.00 11.24 H new ATOM 0 HB ILE A 197 -3.493 1.771 4.830 1.00 70.42 H new ATOM 0 HG12 ILE A 197 -2.905 0.602 2.756 1.00 44.35 H new ATOM 0 HG13 ILE A 197 -3.945 1.976 2.440 1.00 44.35 H new ATOM 0 HG21 ILE A 197 -3.797 4.029 3.855 1.00 0.30 H new ATOM 0 HG22 ILE A 197 -2.750 4.052 5.294 1.00 0.30 H new ATOM 0 HG23 ILE A 197 -2.033 4.172 3.669 1.00 0.30 H new ATOM 0 HD11 ILE A 197 -2.198 1.793 0.754 1.00 62.00 H new ATOM 0 HD12 ILE A 197 -2.003 3.291 1.694 1.00 62.00 H new ATOM 0 HD13 ILE A 197 -0.947 1.895 2.016 1.00 62.00 H new ATOM 624 N SER A 198 -0.331 3.125 6.431 1.00 54.11 N ATOM 625 CA SER A 198 -0.058 3.547 7.781 1.00 52.04 C ATOM 626 C SER A 198 -0.840 4.810 8.138 1.00 41.33 C ATOM 627 O SER A 198 -1.272 4.993 9.287 1.00 50.11 O ATOM 628 CB SER A 198 1.439 3.772 7.944 1.00 15.45 C ATOM 629 OG SER A 198 1.882 4.881 7.192 1.00 10.43 O ATOM 0 H SER A 198 0.183 3.626 5.707 1.00 54.11 H new ATOM 0 HA SER A 198 -0.382 2.764 8.466 1.00 52.04 H new ATOM 0 HB2 SER A 198 1.671 3.929 8.997 1.00 15.45 H new ATOM 0 HB3 SER A 198 1.978 2.879 7.629 1.00 15.45 H new ATOM 0 HG SER A 198 2.846 4.999 7.320 1.00 10.43 H new ATOM 635 N ARG A 199 -1.039 5.657 7.154 1.00 73.42 N ATOM 636 CA ARG A 199 -1.680 6.938 7.344 1.00 70.13 C ATOM 637 C ARG A 199 -2.050 7.551 6.014 1.00 75.10 C ATOM 638 O ARG A 199 -1.331 7.386 5.033 1.00 43.24 O ATOM 639 CB ARG A 199 -0.730 7.885 8.121 1.00 31.41 C ATOM 640 CG ARG A 199 -1.225 9.317 8.256 1.00 1.52 C ATOM 641 CD ARG A 199 -0.273 10.168 9.077 1.00 75.02 C ATOM 642 NE ARG A 199 1.092 10.151 8.536 1.00 0.25 N ATOM 643 CZ ARG A 199 1.877 11.220 8.380 1.00 0.53 C ATOM 644 NH1 ARG A 199 1.425 12.437 8.657 1.00 45.30 N ATOM 645 NH2 ARG A 199 3.118 11.056 7.948 1.00 22.24 N ATOM 0 H ARG A 199 -0.758 5.474 6.191 1.00 73.42 H new ATOM 0 HA ARG A 199 -2.594 6.791 7.919 1.00 70.13 H new ATOM 0 HB2 ARG A 199 -0.568 7.476 9.118 1.00 31.41 H new ATOM 0 HB3 ARG A 199 0.238 7.896 7.620 1.00 31.41 H new ATOM 0 HG2 ARG A 199 -1.342 9.756 7.265 1.00 1.52 H new ATOM 0 HG3 ARG A 199 -2.209 9.319 8.724 1.00 1.52 H new ATOM 0 HD2 ARG A 199 -0.638 11.195 9.105 1.00 75.02 H new ATOM 0 HD3 ARG A 199 -0.259 9.806 10.105 1.00 75.02 H new ATOM 0 HE ARG A 199 1.472 9.247 8.256 1.00 0.25 H new ATOM 0 HH11 ARG A 199 0.470 12.562 8.992 1.00 45.30 H new ATOM 0 HH12 ARG A 199 2.033 13.247 8.534 1.00 45.30 H new ATOM 0 HH21 ARG A 199 3.465 10.120 7.738 1.00 22.24 H new ATOM 0 HH22 ARG A 199 3.726 11.865 7.825 1.00 22.24 H new ATOM 657 N LEU A 200 -3.176 8.223 5.980 1.00 64.24 N ATOM 658 CA LEU A 200 -3.592 8.966 4.814 1.00 65.32 C ATOM 659 C LEU A 200 -3.328 10.422 5.021 1.00 74.41 C ATOM 660 O LEU A 200 -3.410 10.926 6.150 1.00 24.40 O ATOM 661 CB LEU A 200 -5.081 8.839 4.538 1.00 53.40 C ATOM 662 CG LEU A 200 -5.636 7.510 4.105 1.00 42.33 C ATOM 663 CD1 LEU A 200 -7.120 7.682 3.890 1.00 11.41 C ATOM 664 CD2 LEU A 200 -4.979 7.059 2.821 1.00 31.41 C ATOM 0 H LEU A 200 -3.831 8.270 6.761 1.00 64.24 H new ATOM 0 HA LEU A 200 -3.028 8.554 3.977 1.00 65.32 H new ATOM 0 HB2 LEU A 200 -5.609 9.136 5.444 1.00 53.40 H new ATOM 0 HB3 LEU A 200 -5.335 9.567 3.768 1.00 53.40 H new ATOM 0 HG LEU A 200 -5.442 6.754 4.866 1.00 42.33 H new ATOM 0 HD11 LEU A 200 -7.554 6.733 3.574 1.00 11.41 H new ATOM 0 HD12 LEU A 200 -7.588 8.003 4.821 1.00 11.41 H new ATOM 0 HD13 LEU A 200 -7.291 8.434 3.120 1.00 11.41 H new ATOM 0 HD21 LEU A 200 -5.391 6.096 2.520 1.00 31.41 H new ATOM 0 HD22 LEU A 200 -5.167 7.794 2.038 1.00 31.41 H new ATOM 0 HD23 LEU A 200 -3.905 6.961 2.977 1.00 31.41 H new ATOM 672 N VAL A 201 -3.007 11.084 3.963 1.00 23.11 N ATOM 673 CA VAL A 201 -2.875 12.510 3.985 1.00 54.54 C ATOM 674 C VAL A 201 -3.969 13.050 3.103 1.00 71.24 C ATOM 675 O VAL A 201 -3.983 12.769 1.886 1.00 22.32 O ATOM 676 CB VAL A 201 -1.526 13.007 3.426 1.00 24.11 C ATOM 677 CG1 VAL A 201 -1.363 14.500 3.651 1.00 64.12 C ATOM 678 CG2 VAL A 201 -0.381 12.249 4.013 1.00 63.43 C ATOM 0 H VAL A 201 -2.827 10.657 3.055 1.00 23.11 H new ATOM 0 HA VAL A 201 -2.935 12.848 5.020 1.00 54.54 H new ATOM 0 HB VAL A 201 -1.525 12.825 2.351 1.00 24.11 H new ATOM 0 HG11 VAL A 201 -0.404 14.826 3.248 1.00 64.12 H new ATOM 0 HG12 VAL A 201 -2.169 15.034 3.147 1.00 64.12 H new ATOM 0 HG13 VAL A 201 -1.399 14.713 4.719 1.00 64.12 H new ATOM 0 HG21 VAL A 201 0.555 12.624 3.598 1.00 63.43 H new ATOM 0 HG22 VAL A 201 -0.376 12.378 5.095 1.00 63.43 H new ATOM 0 HG23 VAL A 201 -0.485 11.190 3.775 1.00 63.43 H new ATOM 684 N PRO A 202 -4.914 13.785 3.670 1.00 22.14 N ATOM 685 CA PRO A 202 -6.002 14.351 2.908 1.00 63.15 C ATOM 686 C PRO A 202 -5.477 15.274 1.796 1.00 65.33 C ATOM 687 O PRO A 202 -4.414 15.909 1.934 1.00 64.55 O ATOM 688 CB PRO A 202 -6.820 15.135 3.936 1.00 12.53 C ATOM 689 CG PRO A 202 -6.438 14.553 5.248 1.00 2.01 C ATOM 690 CD PRO A 202 -5.016 14.105 5.103 1.00 44.13 C ATOM 0 HA PRO A 202 -6.595 13.588 2.404 1.00 63.15 H new ATOM 0 HB2 PRO A 202 -6.592 16.200 3.894 1.00 12.53 H new ATOM 0 HB3 PRO A 202 -7.890 15.031 3.753 1.00 12.53 H new ATOM 0 HG2 PRO A 202 -6.535 15.290 6.045 1.00 2.01 H new ATOM 0 HG3 PRO A 202 -7.086 13.716 5.507 1.00 2.01 H new ATOM 0 HD2 PRO A 202 -4.315 14.888 5.393 1.00 44.13 H new ATOM 0 HD3 PRO A 202 -4.801 13.237 5.727 1.00 44.13 H new ATOM 698 N GLY A 203 -6.183 15.313 0.699 1.00 4.14 N ATOM 699 CA GLY A 203 -5.745 16.092 -0.433 1.00 54.14 C ATOM 700 C GLY A 203 -4.966 15.236 -1.404 1.00 45.13 C ATOM 701 O GLY A 203 -4.868 15.548 -2.589 1.00 15.25 O ATOM 0 H GLY A 203 -7.063 14.816 0.562 1.00 4.14 H new ATOM 0 HA2 GLY A 203 -6.608 16.527 -0.936 1.00 54.14 H new ATOM 0 HA3 GLY A 203 -5.124 16.920 -0.092 1.00 54.14 H new ATOM 705 N GLY A 204 -4.414 14.151 -0.898 1.00 31.32 N ATOM 706 CA GLY A 204 -3.689 13.239 -1.728 1.00 71.54 C ATOM 707 C GLY A 204 -4.632 12.279 -2.408 1.00 31.41 C ATOM 708 O GLY A 204 -5.770 12.122 -1.967 1.00 52.01 O ATOM 0 H GLY A 204 -4.460 13.888 0.087 1.00 31.32 H new ATOM 0 HA2 GLY A 204 -3.122 13.792 -2.477 1.00 71.54 H new ATOM 0 HA3 GLY A 204 -2.968 12.685 -1.127 1.00 71.54 H new ATOM 712 N LEU A 205 -4.154 11.610 -3.446 1.00 62.34 N ATOM 713 CA LEU A 205 -4.951 10.729 -4.274 1.00 22.33 C ATOM 714 C LEU A 205 -5.659 9.644 -3.459 1.00 40.21 C ATOM 715 O LEU A 205 -6.844 9.365 -3.682 1.00 72.51 O ATOM 716 CB LEU A 205 -4.084 10.087 -5.379 1.00 44.51 C ATOM 717 CG LEU A 205 -3.449 11.016 -6.455 1.00 4.04 C ATOM 718 CD1 LEU A 205 -4.496 11.898 -7.122 1.00 13.14 C ATOM 719 CD2 LEU A 205 -2.286 11.844 -5.908 1.00 33.22 C ATOM 0 H LEU A 205 -3.179 11.668 -3.740 1.00 62.34 H new ATOM 0 HA LEU A 205 -5.724 11.343 -4.737 1.00 22.33 H new ATOM 0 HB2 LEU A 205 -3.275 9.542 -4.892 1.00 44.51 H new ATOM 0 HB3 LEU A 205 -4.698 9.350 -5.897 1.00 44.51 H new ATOM 0 HG LEU A 205 -3.031 10.361 -7.219 1.00 4.04 H new ATOM 0 HD11 LEU A 205 -4.016 12.533 -7.867 1.00 13.14 H new ATOM 0 HD12 LEU A 205 -5.244 11.271 -7.607 1.00 13.14 H new ATOM 0 HD13 LEU A 205 -4.978 12.522 -6.370 1.00 13.14 H new ATOM 0 HD21 LEU A 205 -1.882 12.473 -6.702 1.00 33.22 H new ATOM 0 HD22 LEU A 205 -2.640 12.473 -5.091 1.00 33.22 H new ATOM 0 HD23 LEU A 205 -1.506 11.177 -5.541 1.00 33.22 H new ATOM 727 N ALA A 206 -4.945 9.057 -2.504 1.00 1.31 N ATOM 728 CA ALA A 206 -5.508 7.997 -1.663 1.00 74.12 C ATOM 729 C ALA A 206 -6.746 8.466 -0.885 1.00 32.13 C ATOM 730 O ALA A 206 -7.791 7.792 -0.889 1.00 71.43 O ATOM 731 CB ALA A 206 -4.455 7.450 -0.720 1.00 45.24 C ATOM 0 H ALA A 206 -3.976 9.294 -2.290 1.00 1.31 H new ATOM 0 HA ALA A 206 -5.835 7.197 -2.328 1.00 74.12 H new ATOM 0 HB1 ALA A 206 -4.892 6.664 -0.104 1.00 45.24 H new ATOM 0 HB2 ALA A 206 -3.627 7.040 -1.298 1.00 45.24 H new ATOM 0 HB3 ALA A 206 -4.088 8.252 -0.079 1.00 45.24 H new ATOM 737 N GLU A 207 -6.644 9.619 -0.242 1.00 65.53 N ATOM 738 CA GLU A 207 -7.764 10.158 0.517 1.00 15.33 C ATOM 739 C GLU A 207 -8.817 10.739 -0.442 1.00 45.43 C ATOM 740 O GLU A 207 -10.010 10.678 -0.173 1.00 33.43 O ATOM 741 CB GLU A 207 -7.298 11.222 1.523 1.00 2.35 C ATOM 742 CG GLU A 207 -8.406 11.732 2.457 1.00 34.01 C ATOM 743 CD GLU A 207 -8.932 10.679 3.406 1.00 23.45 C ATOM 744 OE1 GLU A 207 -9.789 9.871 3.003 1.00 5.44 O ATOM 745 OE2 GLU A 207 -8.508 10.675 4.585 1.00 31.43 O ATOM 0 H GLU A 207 -5.804 10.197 -0.230 1.00 65.53 H new ATOM 0 HA GLU A 207 -8.214 9.345 1.086 1.00 15.33 H new ATOM 0 HB2 GLU A 207 -6.491 10.806 2.127 1.00 2.35 H new ATOM 0 HB3 GLU A 207 -6.883 12.067 0.975 1.00 2.35 H new ATOM 0 HG2 GLU A 207 -8.023 12.572 3.036 1.00 34.01 H new ATOM 0 HG3 GLU A 207 -9.232 12.111 1.854 1.00 34.01 H new ATOM 752 N SER A 208 -8.351 11.292 -1.565 1.00 61.03 N ATOM 753 CA SER A 208 -9.223 11.879 -2.577 1.00 73.35 C ATOM 754 C SER A 208 -10.235 10.845 -3.088 1.00 13.42 C ATOM 755 O SER A 208 -11.428 11.148 -3.218 1.00 45.24 O ATOM 756 CB SER A 208 -8.393 12.459 -3.741 1.00 52.34 C ATOM 757 OG SER A 208 -9.211 13.096 -4.720 1.00 65.40 O ATOM 0 H SER A 208 -7.359 11.344 -1.795 1.00 61.03 H new ATOM 0 HA SER A 208 -9.779 12.696 -2.117 1.00 73.35 H new ATOM 0 HB2 SER A 208 -7.673 13.177 -3.349 1.00 52.34 H new ATOM 0 HB3 SER A 208 -7.822 11.659 -4.212 1.00 52.34 H new ATOM 0 HG SER A 208 -8.646 13.450 -5.438 1.00 65.40 H new ATOM 763 N THR A 209 -9.776 9.632 -3.368 1.00 73.02 N ATOM 764 CA THR A 209 -10.694 8.599 -3.784 1.00 50.33 C ATOM 765 C THR A 209 -11.450 8.062 -2.562 1.00 45.10 C ATOM 766 O THR A 209 -12.614 7.672 -2.654 1.00 3.02 O ATOM 767 CB THR A 209 -10.002 7.434 -4.579 1.00 21.51 C ATOM 768 OG1 THR A 209 -10.981 6.489 -4.998 1.00 13.15 O ATOM 769 CG2 THR A 209 -8.956 6.722 -3.739 1.00 33.24 C ATOM 0 H THR A 209 -8.797 9.351 -3.315 1.00 73.02 H new ATOM 0 HA THR A 209 -11.398 9.052 -4.482 1.00 50.33 H new ATOM 0 HB THR A 209 -9.506 7.876 -5.443 1.00 21.51 H new ATOM 0 HG1 THR A 209 -10.576 5.854 -5.625 1.00 13.15 H new ATOM 0 HG21 THR A 209 -8.501 5.923 -4.325 1.00 33.24 H new ATOM 0 HG22 THR A 209 -8.187 7.433 -3.436 1.00 33.24 H new ATOM 0 HG23 THR A 209 -9.428 6.298 -2.853 1.00 33.24 H new ATOM 775 N GLY A 210 -10.777 8.069 -1.410 1.00 1.34 N ATOM 776 CA GLY A 210 -11.385 7.618 -0.177 1.00 64.11 C ATOM 777 C GLY A 210 -11.611 6.127 -0.151 1.00 64.04 C ATOM 778 O GLY A 210 -12.427 5.619 0.631 1.00 32.54 O ATOM 0 H GLY A 210 -9.811 8.384 -1.315 1.00 1.34 H new ATOM 0 HA2 GLY A 210 -10.748 7.900 0.662 1.00 64.11 H new ATOM 0 HA3 GLY A 210 -12.338 8.128 -0.039 1.00 64.11 H new ATOM 782 N LEU A 211 -10.899 5.416 -0.996 1.00 14.11 N ATOM 783 CA LEU A 211 -11.060 3.995 -1.075 1.00 71.51 C ATOM 784 C LEU A 211 -9.894 3.269 -0.431 1.00 40.23 C ATOM 785 O LEU A 211 -9.867 2.041 -0.369 1.00 11.43 O ATOM 786 CB LEU A 211 -11.403 3.526 -2.525 1.00 32.31 C ATOM 787 CG LEU A 211 -10.365 3.602 -3.660 1.00 63.43 C ATOM 788 CD1 LEU A 211 -9.176 2.684 -3.427 1.00 11.25 C ATOM 789 CD2 LEU A 211 -11.053 3.249 -4.965 1.00 12.25 C ATOM 0 H LEU A 211 -10.205 5.805 -1.635 1.00 14.11 H new ATOM 0 HA LEU A 211 -11.932 3.714 -0.484 1.00 71.51 H new ATOM 0 HB2 LEU A 211 -11.721 2.486 -2.455 1.00 32.31 H new ATOM 0 HB3 LEU A 211 -12.269 4.103 -2.848 1.00 32.31 H new ATOM 0 HG LEU A 211 -9.969 4.617 -3.694 1.00 63.43 H new ATOM 0 HD11 LEU A 211 -8.476 2.778 -4.257 1.00 11.25 H new ATOM 0 HD12 LEU A 211 -8.677 2.963 -2.499 1.00 11.25 H new ATOM 0 HD13 LEU A 211 -9.521 1.652 -3.358 1.00 11.25 H new ATOM 0 HD21 LEU A 211 -10.332 3.298 -5.781 1.00 12.25 H new ATOM 0 HD22 LEU A 211 -11.460 2.240 -4.900 1.00 12.25 H new ATOM 0 HD23 LEU A 211 -11.862 3.955 -5.153 1.00 12.25 H new ATOM 797 N LEU A 212 -8.952 4.044 0.068 1.00 12.42 N ATOM 798 CA LEU A 212 -7.811 3.520 0.783 1.00 43.32 C ATOM 799 C LEU A 212 -7.940 3.865 2.245 1.00 74.15 C ATOM 800 O LEU A 212 -8.297 4.997 2.595 1.00 63.05 O ATOM 801 CB LEU A 212 -6.483 4.074 0.208 1.00 4.21 C ATOM 802 CG LEU A 212 -6.018 3.484 -1.137 1.00 40.33 C ATOM 803 CD1 LEU A 212 -4.824 4.249 -1.682 1.00 63.41 C ATOM 804 CD2 LEU A 212 -5.612 2.057 -0.935 1.00 42.01 C ATOM 0 H LEU A 212 -8.959 5.061 -0.013 1.00 12.42 H new ATOM 0 HA LEU A 212 -7.790 2.437 0.665 1.00 43.32 H new ATOM 0 HB2 LEU A 212 -6.586 5.153 0.090 1.00 4.21 H new ATOM 0 HB3 LEU A 212 -5.696 3.907 0.944 1.00 4.21 H new ATOM 0 HG LEU A 212 -6.843 3.557 -1.846 1.00 40.33 H new ATOM 0 HD11 LEU A 212 -4.515 3.813 -2.632 1.00 63.41 H new ATOM 0 HD12 LEU A 212 -5.099 5.293 -1.834 1.00 63.41 H new ATOM 0 HD13 LEU A 212 -4.000 4.191 -0.971 1.00 63.41 H new ATOM 0 HD21 LEU A 212 -5.282 1.635 -1.884 1.00 42.01 H new ATOM 0 HD22 LEU A 212 -4.796 2.009 -0.214 1.00 42.01 H new ATOM 0 HD23 LEU A 212 -6.462 1.487 -0.560 1.00 42.01 H new ATOM 812 N ALA A 213 -7.702 2.892 3.073 1.00 21.51 N ATOM 813 CA ALA A 213 -7.762 3.028 4.496 1.00 73.12 C ATOM 814 C ALA A 213 -6.519 2.424 5.093 1.00 52.44 C ATOM 815 O ALA A 213 -5.812 1.683 4.425 1.00 61.41 O ATOM 816 CB ALA A 213 -9.002 2.344 5.041 1.00 33.25 C ATOM 0 H ALA A 213 -7.453 1.952 2.766 1.00 21.51 H new ATOM 0 HA ALA A 213 -7.818 4.083 4.762 1.00 73.12 H new ATOM 0 HB1 ALA A 213 -9.033 2.456 6.125 1.00 33.25 H new ATOM 0 HB2 ALA A 213 -9.891 2.799 4.603 1.00 33.25 H new ATOM 0 HB3 ALA A 213 -8.974 1.284 4.787 1.00 33.25 H new ATOM 822 N VAL A 214 -6.261 2.712 6.345 1.00 30.24 N ATOM 823 CA VAL A 214 -5.080 2.232 7.014 1.00 24.22 C ATOM 824 C VAL A 214 -5.025 0.695 7.162 1.00 63.40 C ATOM 825 O VAL A 214 -3.954 0.104 7.218 1.00 43.22 O ATOM 826 CB VAL A 214 -4.801 2.968 8.344 1.00 14.31 C ATOM 827 CG1 VAL A 214 -4.600 4.453 8.088 1.00 42.13 C ATOM 828 CG2 VAL A 214 -5.902 2.744 9.362 1.00 24.24 C ATOM 0 H VAL A 214 -6.867 3.288 6.929 1.00 30.24 H new ATOM 0 HA VAL A 214 -4.257 2.484 6.345 1.00 24.22 H new ATOM 0 HB VAL A 214 -3.887 2.551 8.766 1.00 14.31 H new ATOM 0 HG11 VAL A 214 -4.404 4.962 9.032 1.00 42.13 H new ATOM 0 HG12 VAL A 214 -3.753 4.595 7.417 1.00 42.13 H new ATOM 0 HG13 VAL A 214 -5.498 4.868 7.632 1.00 42.13 H new ATOM 0 HG21 VAL A 214 -5.663 3.280 10.280 1.00 24.24 H new ATOM 0 HG22 VAL A 214 -6.847 3.112 8.963 1.00 24.24 H new ATOM 0 HG23 VAL A 214 -5.989 1.679 9.576 1.00 24.24 H new ATOM 834 N ASN A 215 -6.167 0.064 7.251 1.00 14.01 N ATOM 835 CA ASN A 215 -6.213 -1.403 7.424 1.00 31.12 C ATOM 836 C ASN A 215 -5.865 -2.142 6.119 1.00 51.04 C ATOM 837 O ASN A 215 -5.624 -3.340 6.137 1.00 33.13 O ATOM 838 CB ASN A 215 -7.586 -1.902 7.942 1.00 74.42 C ATOM 839 CG ASN A 215 -8.668 -2.010 6.862 1.00 11.24 C ATOM 840 OD1 ASN A 215 -8.840 -3.072 6.245 1.00 34.33 O ATOM 841 ND2 ASN A 215 -9.401 -0.955 6.638 1.00 52.12 N ATOM 0 H ASN A 215 -7.080 0.518 7.210 1.00 14.01 H new ATOM 0 HA ASN A 215 -5.460 -1.631 8.179 1.00 31.12 H new ATOM 0 HB2 ASN A 215 -7.453 -2.880 8.405 1.00 74.42 H new ATOM 0 HB3 ASN A 215 -7.934 -1.225 8.722 1.00 74.42 H new ATOM 0 HD21 ASN A 215 -10.142 -0.988 5.938 1.00 52.12 H new ATOM 0 HD22 ASN A 215 -9.233 -0.097 7.163 1.00 52.12 H new ATOM 847 N ASP A 216 -5.873 -1.439 4.998 1.00 22.40 N ATOM 848 CA ASP A 216 -5.626 -2.081 3.708 1.00 51.42 C ATOM 849 C ASP A 216 -4.179 -2.534 3.557 1.00 32.03 C ATOM 850 O ASP A 216 -3.232 -1.769 3.820 1.00 12.05 O ATOM 851 CB ASP A 216 -6.045 -1.204 2.517 1.00 44.42 C ATOM 852 CG ASP A 216 -7.530 -0.893 2.473 1.00 34.43 C ATOM 853 OD1 ASP A 216 -8.352 -1.824 2.335 1.00 20.53 O ATOM 854 OD2 ASP A 216 -7.899 0.278 2.580 1.00 53.30 O ATOM 0 H ASP A 216 -6.045 -0.435 4.950 1.00 22.40 H new ATOM 0 HA ASP A 216 -6.259 -2.968 3.697 1.00 51.42 H new ATOM 0 HB2 ASP A 216 -5.489 -0.267 2.555 1.00 44.42 H new ATOM 0 HB3 ASP A 216 -5.762 -1.706 1.592 1.00 44.42 H new ATOM 859 N GLU A 217 -4.025 -3.780 3.143 1.00 31.43 N ATOM 860 CA GLU A 217 -2.739 -4.423 2.953 1.00 42.12 C ATOM 861 C GLU A 217 -2.388 -4.437 1.475 1.00 53.31 C ATOM 862 O GLU A 217 -3.224 -4.777 0.644 1.00 53.41 O ATOM 863 CB GLU A 217 -2.806 -5.856 3.484 1.00 13.25 C ATOM 864 CG GLU A 217 -1.517 -6.652 3.371 1.00 42.55 C ATOM 865 CD GLU A 217 -1.694 -8.077 3.828 1.00 71.40 C ATOM 866 OE1 GLU A 217 -1.619 -8.343 5.031 1.00 44.35 O ATOM 867 OE2 GLU A 217 -1.913 -8.961 2.980 1.00 21.11 O ATOM 0 H GLU A 217 -4.814 -4.388 2.924 1.00 31.43 H new ATOM 0 HA GLU A 217 -1.971 -3.871 3.496 1.00 42.12 H new ATOM 0 HB2 GLU A 217 -3.103 -5.824 4.532 1.00 13.25 H new ATOM 0 HB3 GLU A 217 -3.591 -6.389 2.947 1.00 13.25 H new ATOM 0 HG2 GLU A 217 -1.174 -6.643 2.336 1.00 42.55 H new ATOM 0 HG3 GLU A 217 -0.741 -6.173 3.968 1.00 42.55 H new ATOM 874 N VAL A 218 -1.164 -4.100 1.154 1.00 3.43 N ATOM 875 CA VAL A 218 -0.746 -4.012 -0.221 1.00 12.35 C ATOM 876 C VAL A 218 -0.378 -5.402 -0.788 1.00 1.13 C ATOM 877 O VAL A 218 0.345 -6.186 -0.167 1.00 14.53 O ATOM 878 CB VAL A 218 0.420 -2.983 -0.411 1.00 32.44 C ATOM 879 CG1 VAL A 218 1.700 -3.434 0.245 1.00 51.14 C ATOM 880 CG2 VAL A 218 0.622 -2.619 -1.869 1.00 21.23 C ATOM 0 H VAL A 218 -0.435 -3.881 1.833 1.00 3.43 H new ATOM 0 HA VAL A 218 -1.595 -3.639 -0.794 1.00 12.35 H new ATOM 0 HB VAL A 218 0.117 -2.072 0.105 1.00 32.44 H new ATOM 0 HG11 VAL A 218 2.475 -2.685 0.083 1.00 51.14 H new ATOM 0 HG12 VAL A 218 1.535 -3.561 1.315 1.00 51.14 H new ATOM 0 HG13 VAL A 218 2.016 -4.383 -0.188 1.00 51.14 H new ATOM 0 HG21 VAL A 218 1.440 -1.903 -1.955 1.00 21.23 H new ATOM 0 HG22 VAL A 218 0.864 -3.517 -2.438 1.00 21.23 H new ATOM 0 HG23 VAL A 218 -0.292 -2.175 -2.263 1.00 21.23 H new ATOM 886 N ILE A 219 -0.914 -5.694 -1.945 1.00 12.33 N ATOM 887 CA ILE A 219 -0.700 -6.955 -2.624 1.00 31.51 C ATOM 888 C ILE A 219 0.334 -6.820 -3.735 1.00 41.34 C ATOM 889 O ILE A 219 1.318 -7.569 -3.779 1.00 53.12 O ATOM 890 CB ILE A 219 -2.041 -7.505 -3.202 1.00 11.45 C ATOM 891 CG1 ILE A 219 -3.004 -7.856 -2.061 1.00 53.33 C ATOM 892 CG2 ILE A 219 -1.818 -8.716 -4.109 1.00 0.11 C ATOM 893 CD1 ILE A 219 -2.457 -8.902 -1.142 1.00 63.33 C ATOM 0 H ILE A 219 -1.523 -5.054 -2.454 1.00 12.33 H new ATOM 0 HA ILE A 219 -0.317 -7.663 -1.889 1.00 31.51 H new ATOM 0 HB ILE A 219 -2.484 -6.720 -3.814 1.00 11.45 H new ATOM 0 HG12 ILE A 219 -3.225 -6.955 -1.488 1.00 53.33 H new ATOM 0 HG13 ILE A 219 -3.947 -8.206 -2.482 1.00 53.33 H new ATOM 0 HG21 ILE A 219 -2.777 -9.067 -4.490 1.00 0.11 H new ATOM 0 HG22 ILE A 219 -1.178 -8.432 -4.944 1.00 0.11 H new ATOM 0 HG23 ILE A 219 -1.340 -9.513 -3.540 1.00 0.11 H new ATOM 0 HD11 ILE A 219 -3.182 -9.110 -0.355 1.00 63.33 H new ATOM 0 HD12 ILE A 219 -2.261 -9.815 -1.705 1.00 63.33 H new ATOM 0 HD13 ILE A 219 -1.529 -8.545 -0.696 1.00 63.33 H new ATOM 900 N GLU A 220 0.128 -5.867 -4.612 1.00 2.25 N ATOM 901 CA GLU A 220 1.016 -5.660 -5.733 1.00 10.12 C ATOM 902 C GLU A 220 0.945 -4.222 -6.195 1.00 52.32 C ATOM 903 O GLU A 220 -0.076 -3.546 -5.996 1.00 34.13 O ATOM 904 CB GLU A 220 0.673 -6.620 -6.894 1.00 21.11 C ATOM 905 CG GLU A 220 -0.746 -6.518 -7.391 1.00 65.30 C ATOM 906 CD GLU A 220 -1.026 -7.415 -8.565 1.00 32.41 C ATOM 907 OE1 GLU A 220 -1.392 -8.589 -8.359 1.00 40.51 O ATOM 908 OE2 GLU A 220 -0.895 -6.956 -9.709 1.00 31.21 O ATOM 0 H GLU A 220 -0.656 -5.215 -4.570 1.00 2.25 H new ATOM 0 HA GLU A 220 2.034 -5.875 -5.409 1.00 10.12 H new ATOM 0 HB2 GLU A 220 1.351 -6.422 -7.725 1.00 21.11 H new ATOM 0 HB3 GLU A 220 0.858 -7.644 -6.569 1.00 21.11 H new ATOM 0 HG2 GLU A 220 -1.428 -6.769 -6.579 1.00 65.30 H new ATOM 0 HG3 GLU A 220 -0.953 -5.486 -7.673 1.00 65.30 H new ATOM 915 N VAL A 221 2.015 -3.755 -6.777 1.00 74.42 N ATOM 916 CA VAL A 221 2.091 -2.434 -7.309 1.00 52.33 C ATOM 917 C VAL A 221 2.515 -2.514 -8.792 1.00 14.00 C ATOM 918 O VAL A 221 3.505 -3.160 -9.137 1.00 24.41 O ATOM 919 CB VAL A 221 3.055 -1.526 -6.479 1.00 51.24 C ATOM 920 CG1 VAL A 221 4.445 -2.054 -6.485 1.00 23.32 C ATOM 921 CG2 VAL A 221 3.020 -0.091 -6.962 1.00 13.35 C ATOM 0 H VAL A 221 2.871 -4.297 -6.894 1.00 74.42 H new ATOM 0 HA VAL A 221 1.108 -1.968 -7.243 1.00 52.33 H new ATOM 0 HB VAL A 221 2.699 -1.540 -5.449 1.00 51.24 H new ATOM 0 HG11 VAL A 221 5.086 -1.397 -5.898 1.00 23.32 H new ATOM 0 HG12 VAL A 221 4.456 -3.054 -6.051 1.00 23.32 H new ATOM 0 HG13 VAL A 221 4.813 -2.099 -7.510 1.00 23.32 H new ATOM 0 HG21 VAL A 221 3.702 0.512 -6.362 1.00 13.35 H new ATOM 0 HG22 VAL A 221 3.325 -0.052 -8.008 1.00 13.35 H new ATOM 0 HG23 VAL A 221 2.008 0.301 -6.864 1.00 13.35 H new ATOM 927 N ASN A 222 1.715 -1.907 -9.648 1.00 13.02 N ATOM 928 CA ASN A 222 1.901 -1.906 -11.117 1.00 34.24 C ATOM 929 C ASN A 222 1.950 -3.298 -11.706 1.00 53.02 C ATOM 930 O ASN A 222 2.450 -3.501 -12.812 1.00 5.21 O ATOM 931 CB ASN A 222 3.108 -1.074 -11.584 1.00 22.11 C ATOM 932 CG ASN A 222 2.919 0.407 -11.358 1.00 2.22 C ATOM 933 OD1 ASN A 222 2.304 0.824 -10.389 1.00 31.35 O ATOM 934 ND2 ASN A 222 3.407 1.212 -12.265 1.00 51.25 N ATOM 0 H ASN A 222 0.892 -1.383 -9.350 1.00 13.02 H new ATOM 0 HA ASN A 222 1.008 -1.415 -11.503 1.00 34.24 H new ATOM 0 HB2 ASN A 222 4.000 -1.407 -11.054 1.00 22.11 H new ATOM 0 HB3 ASN A 222 3.281 -1.256 -12.645 1.00 22.11 H new ATOM 0 HD21 ASN A 222 3.279 2.220 -12.175 1.00 51.25 H new ATOM 0 HD22 ASN A 222 3.916 0.832 -13.063 1.00 51.25 H new ATOM 940 N GLY A 223 1.385 -4.242 -10.997 1.00 51.33 N ATOM 941 CA GLY A 223 1.362 -5.606 -11.464 1.00 63.44 C ATOM 942 C GLY A 223 2.423 -6.455 -10.808 1.00 75.22 C ATOM 943 O GLY A 223 2.410 -7.678 -10.928 1.00 73.54 O ATOM 0 H GLY A 223 0.935 -4.092 -10.094 1.00 51.33 H new ATOM 0 HA2 GLY A 223 0.381 -6.038 -11.267 1.00 63.44 H new ATOM 0 HA3 GLY A 223 1.505 -5.620 -12.544 1.00 63.44 H new ATOM 947 N ILE A 224 3.342 -5.814 -10.111 1.00 24.13 N ATOM 948 CA ILE A 224 4.409 -6.508 -9.452 1.00 64.12 C ATOM 949 C ILE A 224 4.065 -6.684 -7.990 1.00 24.30 C ATOM 950 O ILE A 224 3.794 -5.712 -7.282 1.00 55.02 O ATOM 951 CB ILE A 224 5.744 -5.751 -9.573 1.00 35.43 C ATOM 952 CG1 ILE A 224 6.105 -5.550 -11.049 1.00 45.42 C ATOM 953 CG2 ILE A 224 6.843 -6.528 -8.859 1.00 14.21 C ATOM 954 CD1 ILE A 224 7.389 -4.785 -11.262 1.00 35.14 C ATOM 0 H ILE A 224 3.362 -4.801 -9.992 1.00 24.13 H new ATOM 0 HA ILE A 224 4.527 -7.478 -9.935 1.00 64.12 H new ATOM 0 HB ILE A 224 5.643 -4.772 -9.105 1.00 35.43 H new ATOM 0 HG12 ILE A 224 6.190 -6.525 -11.529 1.00 45.42 H new ATOM 0 HG13 ILE A 224 5.291 -5.021 -11.544 1.00 45.42 H new ATOM 0 HG21 ILE A 224 7.786 -5.989 -8.947 1.00 14.21 H new ATOM 0 HG22 ILE A 224 6.585 -6.638 -7.806 1.00 14.21 H new ATOM 0 HG23 ILE A 224 6.945 -7.514 -9.313 1.00 14.21 H new ATOM 0 HD11 ILE A 224 7.578 -4.682 -12.330 1.00 35.14 H new ATOM 0 HD12 ILE A 224 7.302 -3.796 -10.812 1.00 35.14 H new ATOM 0 HD13 ILE A 224 8.215 -5.324 -10.797 1.00 35.14 H new ATOM 961 N GLU A 225 4.071 -7.915 -7.555 1.00 43.54 N ATOM 962 CA GLU A 225 3.724 -8.287 -6.195 1.00 14.33 C ATOM 963 C GLU A 225 4.647 -7.644 -5.169 1.00 45.43 C ATOM 964 O GLU A 225 5.864 -7.522 -5.371 1.00 52.10 O ATOM 965 CB GLU A 225 3.772 -9.803 -6.046 1.00 72.40 C ATOM 966 CG GLU A 225 5.158 -10.377 -6.251 1.00 52.22 C ATOM 967 CD GLU A 225 5.173 -11.881 -6.304 1.00 73.04 C ATOM 968 OE1 GLU A 225 4.993 -12.438 -7.404 1.00 22.43 O ATOM 969 OE2 GLU A 225 5.385 -12.527 -5.259 1.00 35.32 O ATOM 0 H GLU A 225 4.322 -8.710 -8.143 1.00 43.54 H new ATOM 0 HA GLU A 225 2.714 -7.923 -6.005 1.00 14.33 H new ATOM 0 HB2 GLU A 225 3.416 -10.076 -5.053 1.00 72.40 H new ATOM 0 HB3 GLU A 225 3.088 -10.254 -6.765 1.00 72.40 H new ATOM 0 HG2 GLU A 225 5.574 -9.983 -7.178 1.00 52.22 H new ATOM 0 HG3 GLU A 225 5.807 -10.042 -5.442 1.00 52.22 H new ATOM 976 N VAL A 226 4.064 -7.227 -4.092 1.00 2.31 N ATOM 977 CA VAL A 226 4.804 -6.678 -2.982 1.00 21.23 C ATOM 978 C VAL A 226 4.545 -7.498 -1.750 1.00 21.11 C ATOM 979 O VAL A 226 5.088 -7.238 -0.684 1.00 55.15 O ATOM 980 CB VAL A 226 4.470 -5.199 -2.721 1.00 42.32 C ATOM 981 CG1 VAL A 226 4.937 -4.339 -3.874 1.00 24.10 C ATOM 982 CG2 VAL A 226 2.998 -5.026 -2.530 1.00 3.33 C ATOM 0 H VAL A 226 3.055 -7.254 -3.948 1.00 2.31 H new ATOM 0 HA VAL A 226 5.862 -6.719 -3.240 1.00 21.23 H new ATOM 0 HB VAL A 226 4.988 -4.887 -1.814 1.00 42.32 H new ATOM 0 HG11 VAL A 226 4.693 -3.296 -3.672 1.00 24.10 H new ATOM 0 HG12 VAL A 226 6.016 -4.443 -3.992 1.00 24.10 H new ATOM 0 HG13 VAL A 226 4.440 -4.658 -4.790 1.00 24.10 H new ATOM 0 HG21 VAL A 226 2.776 -3.975 -2.346 1.00 3.33 H new ATOM 0 HG22 VAL A 226 2.473 -5.356 -3.427 1.00 3.33 H new ATOM 0 HG23 VAL A 226 2.669 -5.621 -1.678 1.00 3.33 H new ATOM 988 N ALA A 227 3.736 -8.520 -1.915 1.00 34.24 N ATOM 989 CA ALA A 227 3.395 -9.386 -0.826 1.00 70.22 C ATOM 990 C ALA A 227 4.532 -10.353 -0.569 1.00 32.23 C ATOM 991 O ALA A 227 4.699 -11.337 -1.280 1.00 72.01 O ATOM 992 CB ALA A 227 2.093 -10.120 -1.109 1.00 10.40 C ATOM 0 H ALA A 227 3.302 -8.767 -2.804 1.00 34.24 H new ATOM 0 HA ALA A 227 3.241 -8.788 0.073 1.00 70.22 H new ATOM 0 HB1 ALA A 227 1.853 -10.772 -0.269 1.00 10.40 H new ATOM 0 HB2 ALA A 227 1.290 -9.396 -1.247 1.00 10.40 H new ATOM 0 HB3 ALA A 227 2.202 -10.719 -2.013 1.00 10.40 H new ATOM 998 N GLY A 228 5.345 -10.030 0.404 1.00 32.52 N ATOM 999 CA GLY A 228 6.482 -10.856 0.730 1.00 4.01 C ATOM 1000 C GLY A 228 7.757 -10.081 0.590 1.00 51.13 C ATOM 1001 O GLY A 228 8.792 -10.461 1.133 1.00 51.55 O ATOM 0 H GLY A 228 5.241 -9.199 0.986 1.00 32.52 H new ATOM 0 HA2 GLY A 228 6.387 -11.228 1.750 1.00 4.01 H new ATOM 0 HA3 GLY A 228 6.506 -11.726 0.074 1.00 4.01 H new ATOM 1005 N LYS A 229 7.685 -8.998 -0.162 1.00 60.30 N ATOM 1006 CA LYS A 229 8.822 -8.104 -0.348 1.00 5.33 C ATOM 1007 C LYS A 229 9.064 -7.316 0.926 1.00 44.40 C ATOM 1008 O LYS A 229 8.196 -7.257 1.793 1.00 5.00 O ATOM 1009 CB LYS A 229 8.538 -7.117 -1.480 1.00 2.13 C ATOM 1010 CG LYS A 229 8.140 -7.757 -2.783 1.00 52.01 C ATOM 1011 CD LYS A 229 9.215 -8.657 -3.324 1.00 73.13 C ATOM 1012 CE LYS A 229 8.729 -9.331 -4.575 1.00 1.14 C ATOM 1013 NZ LYS A 229 9.755 -10.214 -5.175 1.00 72.44 N ATOM 0 H LYS A 229 6.843 -8.711 -0.660 1.00 60.30 H new ATOM 0 HA LYS A 229 9.698 -8.704 -0.594 1.00 5.33 H new ATOM 0 HB2 LYS A 229 7.743 -6.441 -1.164 1.00 2.13 H new ATOM 0 HB3 LYS A 229 9.427 -6.508 -1.646 1.00 2.13 H new ATOM 0 HG2 LYS A 229 7.225 -8.332 -2.639 1.00 52.01 H new ATOM 0 HG3 LYS A 229 7.917 -6.980 -3.514 1.00 52.01 H new ATOM 0 HD2 LYS A 229 10.114 -8.078 -3.537 1.00 73.13 H new ATOM 0 HD3 LYS A 229 9.486 -9.405 -2.578 1.00 73.13 H new ATOM 0 HE2 LYS A 229 7.838 -9.916 -4.347 1.00 1.14 H new ATOM 0 HE3 LYS A 229 8.435 -8.574 -5.302 1.00 1.14 H new ATOM 0 HZ1 LYS A 229 9.373 -10.656 -6.035 1.00 72.44 H new ATOM 0 HZ2 LYS A 229 10.596 -9.653 -5.419 1.00 72.44 H new ATOM 0 HZ3 LYS A 229 10.018 -10.954 -4.493 1.00 72.44 H new ATOM 1027 N THR A 230 10.215 -6.702 1.037 1.00 1.30 N ATOM 1028 CA THR A 230 10.511 -5.912 2.199 1.00 34.25 C ATOM 1029 C THR A 230 9.945 -4.525 2.000 1.00 20.44 C ATOM 1030 O THR A 230 9.550 -4.165 0.875 1.00 63.24 O ATOM 1031 CB THR A 230 12.029 -5.794 2.423 1.00 53.34 C ATOM 1032 OG1 THR A 230 12.632 -5.183 1.275 1.00 1.02 O ATOM 1033 CG2 THR A 230 12.650 -7.162 2.666 1.00 51.02 C ATOM 0 H THR A 230 10.958 -6.735 0.339 1.00 1.30 H new ATOM 0 HA THR A 230 10.068 -6.398 3.068 1.00 34.25 H new ATOM 0 HB THR A 230 12.206 -5.178 3.305 1.00 53.34 H new ATOM 0 HG1 THR A 230 13.599 -5.106 1.416 1.00 1.02 H new ATOM 0 HG21 THR A 230 13.723 -7.052 2.821 1.00 51.02 H new ATOM 0 HG22 THR A 230 12.200 -7.614 3.550 1.00 51.02 H new ATOM 0 HG23 THR A 230 12.472 -7.801 1.801 1.00 51.02 H new ATOM 1039 N LEU A 231 9.919 -3.737 3.051 1.00 34.23 N ATOM 1040 CA LEU A 231 9.452 -2.395 2.956 1.00 61.10 C ATOM 1041 C LEU A 231 10.367 -1.600 2.025 1.00 40.31 C ATOM 1042 O LEU A 231 9.916 -0.703 1.310 1.00 75.31 O ATOM 1043 CB LEU A 231 9.366 -1.754 4.340 1.00 12.55 C ATOM 1044 CG LEU A 231 8.846 -0.323 4.375 1.00 73.34 C ATOM 1045 CD1 LEU A 231 7.446 -0.238 3.775 1.00 62.33 C ATOM 1046 CD2 LEU A 231 8.857 0.218 5.793 1.00 63.33 C ATOM 0 H LEU A 231 10.221 -4.017 3.984 1.00 34.23 H new ATOM 0 HA LEU A 231 8.446 -2.392 2.536 1.00 61.10 H new ATOM 0 HB2 LEU A 231 8.721 -2.371 4.966 1.00 12.55 H new ATOM 0 HB3 LEU A 231 10.358 -1.771 4.790 1.00 12.55 H new ATOM 0 HG LEU A 231 9.511 0.293 3.770 1.00 73.34 H new ATOM 0 HD11 LEU A 231 7.097 0.794 3.811 1.00 62.33 H new ATOM 0 HD12 LEU A 231 7.473 -0.576 2.739 1.00 62.33 H new ATOM 0 HD13 LEU A 231 6.767 -0.871 4.345 1.00 62.33 H new ATOM 0 HD21 LEU A 231 8.482 1.241 5.795 1.00 63.33 H new ATOM 0 HD22 LEU A 231 8.221 -0.403 6.424 1.00 63.33 H new ATOM 0 HD23 LEU A 231 9.876 0.205 6.180 1.00 63.33 H new ATOM 1054 N ASP A 232 11.642 -1.961 2.015 1.00 51.51 N ATOM 1055 CA ASP A 232 12.612 -1.333 1.127 1.00 14.34 C ATOM 1056 C ASP A 232 12.247 -1.636 -0.318 1.00 1.35 C ATOM 1057 O ASP A 232 12.115 -0.723 -1.136 1.00 75.30 O ATOM 1058 CB ASP A 232 14.031 -1.821 1.426 1.00 53.25 C ATOM 1059 CG ASP A 232 15.082 -1.111 0.594 1.00 72.54 C ATOM 1060 OD1 ASP A 232 15.515 -0.009 0.992 1.00 74.04 O ATOM 1061 OD2 ASP A 232 15.506 -1.646 -0.443 1.00 21.03 O ATOM 0 H ASP A 232 12.031 -2.689 2.614 1.00 51.51 H new ATOM 0 HA ASP A 232 12.587 -0.256 1.292 1.00 14.34 H new ATOM 0 HB2 ASP A 232 14.248 -1.670 2.484 1.00 53.25 H new ATOM 0 HB3 ASP A 232 14.089 -2.893 1.239 1.00 53.25 H new ATOM 1066 N GLN A 233 12.032 -2.925 -0.614 1.00 51.32 N ATOM 1067 CA GLN A 233 11.632 -3.347 -1.955 1.00 21.44 C ATOM 1068 C GLN A 233 10.338 -2.705 -2.426 1.00 72.15 C ATOM 1069 O GLN A 233 10.251 -2.246 -3.567 1.00 13.50 O ATOM 1070 CB GLN A 233 11.559 -4.877 -2.116 1.00 44.15 C ATOM 1071 CG GLN A 233 12.863 -5.546 -2.557 1.00 71.42 C ATOM 1072 CD GLN A 233 14.022 -5.407 -1.601 1.00 35.34 C ATOM 1073 OE1 GLN A 233 14.778 -4.461 -1.670 1.00 74.13 O ATOM 1074 NE2 GLN A 233 14.190 -6.375 -0.739 1.00 34.24 N ATOM 0 H GLN A 233 12.129 -3.687 0.057 1.00 51.32 H new ATOM 0 HA GLN A 233 12.433 -2.986 -2.599 1.00 21.44 H new ATOM 0 HB2 GLN A 233 11.248 -5.312 -1.166 1.00 44.15 H new ATOM 0 HB3 GLN A 233 10.783 -5.114 -2.844 1.00 44.15 H new ATOM 0 HG2 GLN A 233 12.671 -6.607 -2.715 1.00 71.42 H new ATOM 0 HG3 GLN A 233 13.157 -5.128 -3.520 1.00 71.42 H new ATOM 0 HE21 GLN A 233 13.532 -7.154 -0.712 1.00 34.24 H new ATOM 0 HE22 GLN A 233 14.979 -6.352 -0.093 1.00 34.24 H new ATOM 1082 N VAL A 234 9.339 -2.642 -1.564 1.00 31.12 N ATOM 1083 CA VAL A 234 8.058 -2.099 -1.982 1.00 61.03 C ATOM 1084 C VAL A 234 8.118 -0.590 -2.171 1.00 55.23 C ATOM 1085 O VAL A 234 7.476 -0.052 -3.073 1.00 70.10 O ATOM 1086 CB VAL A 234 6.904 -2.469 -1.038 1.00 74.22 C ATOM 1087 CG1 VAL A 234 6.890 -3.949 -0.788 1.00 0.53 C ATOM 1088 CG2 VAL A 234 6.960 -1.699 0.247 1.00 61.21 C ATOM 0 H VAL A 234 9.385 -2.952 -0.593 1.00 31.12 H new ATOM 0 HA VAL A 234 7.848 -2.565 -2.945 1.00 61.03 H new ATOM 0 HB VAL A 234 5.971 -2.192 -1.528 1.00 74.22 H new ATOM 0 HG11 VAL A 234 6.067 -4.197 -0.117 1.00 0.53 H new ATOM 0 HG12 VAL A 234 6.760 -4.476 -1.733 1.00 0.53 H new ATOM 0 HG13 VAL A 234 7.833 -4.250 -0.332 1.00 0.53 H new ATOM 0 HG21 VAL A 234 6.125 -1.993 0.884 1.00 61.21 H new ATOM 0 HG22 VAL A 234 7.899 -1.912 0.758 1.00 61.21 H new ATOM 0 HG23 VAL A 234 6.897 -0.632 0.035 1.00 61.21 H new ATOM 1094 N THR A 235 8.904 0.088 -1.349 1.00 24.25 N ATOM 1095 CA THR A 235 9.023 1.509 -1.471 1.00 25.43 C ATOM 1096 C THR A 235 9.775 1.841 -2.753 1.00 70.32 C ATOM 1097 O THR A 235 9.437 2.797 -3.449 1.00 54.34 O ATOM 1098 CB THR A 235 9.706 2.154 -0.243 1.00 11.42 C ATOM 1099 OG1 THR A 235 9.003 1.767 0.955 1.00 13.11 O ATOM 1100 CG2 THR A 235 9.648 3.659 -0.359 1.00 42.15 C ATOM 0 H THR A 235 9.459 -0.329 -0.602 1.00 24.25 H new ATOM 0 HA THR A 235 8.019 1.930 -1.515 1.00 25.43 H new ATOM 0 HB THR A 235 10.743 1.821 -0.200 1.00 11.42 H new ATOM 0 HG1 THR A 235 9.439 0.984 1.352 1.00 13.11 H new ATOM 0 HG21 THR A 235 10.130 4.110 0.508 1.00 42.15 H new ATOM 0 HG22 THR A 235 10.164 3.974 -1.266 1.00 42.15 H new ATOM 0 HG23 THR A 235 8.607 3.981 -0.403 1.00 42.15 H new ATOM 1106 N ASP A 236 10.763 1.005 -3.089 1.00 72.54 N ATOM 1107 CA ASP A 236 11.518 1.165 -4.333 1.00 23.00 C ATOM 1108 C ASP A 236 10.587 1.075 -5.519 1.00 65.25 C ATOM 1109 O ASP A 236 10.740 1.823 -6.499 1.00 55.44 O ATOM 1110 CB ASP A 236 12.619 0.122 -4.456 1.00 23.10 C ATOM 1111 CG ASP A 236 13.372 0.214 -5.769 1.00 75.41 C ATOM 1112 OD1 ASP A 236 14.174 1.170 -5.952 1.00 11.41 O ATOM 1113 OD2 ASP A 236 13.175 -0.668 -6.636 1.00 14.12 O ATOM 0 H ASP A 236 11.057 0.213 -2.517 1.00 72.54 H new ATOM 0 HA ASP A 236 11.988 2.148 -4.314 1.00 23.00 H new ATOM 0 HB2 ASP A 236 13.321 0.242 -3.631 1.00 23.10 H new ATOM 0 HB3 ASP A 236 12.183 -0.873 -4.361 1.00 23.10 H new ATOM 1118 N MET A 237 9.591 0.175 -5.418 1.00 71.21 N ATOM 1119 CA MET A 237 8.581 0.042 -6.459 1.00 0.11 C ATOM 1120 C MET A 237 7.881 1.370 -6.618 1.00 0.43 C ATOM 1121 O MET A 237 7.806 1.918 -7.683 1.00 55.41 O ATOM 1122 CB MET A 237 7.500 -0.961 -6.085 1.00 34.13 C ATOM 1123 CG MET A 237 7.913 -2.343 -5.732 1.00 20.23 C ATOM 1124 SD MET A 237 8.582 -3.290 -7.076 1.00 73.14 S ATOM 1125 CE MET A 237 8.493 -4.886 -6.296 1.00 1.31 C ATOM 0 H MET A 237 9.473 -0.461 -4.629 1.00 71.21 H new ATOM 0 HA MET A 237 9.090 -0.288 -7.365 1.00 0.11 H new ATOM 0 HB2 MET A 237 6.947 -0.553 -5.239 1.00 34.13 H new ATOM 0 HB3 MET A 237 6.803 -1.026 -6.921 1.00 34.13 H new ATOM 0 HG2 MET A 237 8.657 -2.292 -4.937 1.00 20.23 H new ATOM 0 HG3 MET A 237 7.050 -2.872 -5.328 1.00 20.23 H new ATOM 0 HE1 MET A 237 8.937 -5.636 -6.950 1.00 1.31 H new ATOM 0 HE2 MET A 237 9.037 -4.860 -5.352 1.00 1.31 H new ATOM 0 HE3 MET A 237 7.450 -5.141 -6.107 1.00 1.31 H new ATOM 1135 N MET A 238 7.409 1.891 -5.497 1.00 72.45 N ATOM 1136 CA MET A 238 6.617 3.125 -5.445 1.00 44.22 C ATOM 1137 C MET A 238 7.405 4.337 -5.934 1.00 70.15 C ATOM 1138 O MET A 238 6.841 5.256 -6.525 1.00 54.14 O ATOM 1139 CB MET A 238 6.096 3.334 -4.027 1.00 43.51 C ATOM 1140 CG MET A 238 5.279 2.173 -3.547 1.00 53.33 C ATOM 1141 SD MET A 238 4.740 2.325 -1.858 1.00 55.31 S ATOM 1142 CE MET A 238 4.103 0.681 -1.640 1.00 63.24 C ATOM 0 H MET A 238 7.563 1.469 -4.581 1.00 72.45 H new ATOM 0 HA MET A 238 5.771 3.018 -6.124 1.00 44.22 H new ATOM 0 HB2 MET A 238 6.938 3.488 -3.352 1.00 43.51 H new ATOM 0 HB3 MET A 238 5.491 4.240 -3.994 1.00 43.51 H new ATOM 0 HG2 MET A 238 4.405 2.065 -4.189 1.00 53.33 H new ATOM 0 HG3 MET A 238 5.865 1.260 -3.651 1.00 53.33 H new ATOM 0 HE1 MET A 238 3.136 0.729 -1.140 1.00 63.24 H new ATOM 0 HE2 MET A 238 3.985 0.204 -2.613 1.00 63.24 H new ATOM 0 HE3 MET A 238 4.797 0.099 -1.033 1.00 63.24 H new ATOM 1152 N VAL A 239 8.701 4.335 -5.689 1.00 33.34 N ATOM 1153 CA VAL A 239 9.583 5.377 -6.179 1.00 45.52 C ATOM 1154 C VAL A 239 9.696 5.290 -7.706 1.00 34.31 C ATOM 1155 O VAL A 239 9.655 6.309 -8.416 1.00 32.14 O ATOM 1156 CB VAL A 239 10.991 5.263 -5.534 1.00 51.32 C ATOM 1157 CG1 VAL A 239 11.946 6.254 -6.148 1.00 12.21 C ATOM 1158 CG2 VAL A 239 10.904 5.496 -4.035 1.00 41.31 C ATOM 0 H VAL A 239 9.172 3.612 -5.145 1.00 33.34 H new ATOM 0 HA VAL A 239 9.159 6.343 -5.903 1.00 45.52 H new ATOM 0 HB VAL A 239 11.367 4.257 -5.720 1.00 51.32 H new ATOM 0 HG11 VAL A 239 12.925 6.154 -5.679 1.00 12.21 H new ATOM 0 HG12 VAL A 239 12.034 6.060 -7.217 1.00 12.21 H new ATOM 0 HG13 VAL A 239 11.571 7.265 -5.992 1.00 12.21 H new ATOM 0 HG21 VAL A 239 11.898 5.413 -3.596 1.00 41.31 H new ATOM 0 HG22 VAL A 239 10.505 6.492 -3.844 1.00 41.31 H new ATOM 0 HG23 VAL A 239 10.247 4.750 -3.588 1.00 41.31 H new ATOM 1164 N ALA A 240 9.797 4.073 -8.197 1.00 73.33 N ATOM 1165 CA ALA A 240 9.917 3.815 -9.623 1.00 52.42 C ATOM 1166 C ALA A 240 8.595 4.073 -10.328 1.00 21.35 C ATOM 1167 O ALA A 240 8.549 4.634 -11.420 1.00 42.54 O ATOM 1168 CB ALA A 240 10.372 2.380 -9.852 1.00 23.14 C ATOM 0 H ALA A 240 9.799 3.231 -7.621 1.00 73.33 H new ATOM 0 HA ALA A 240 10.661 4.493 -10.041 1.00 52.42 H new ATOM 0 HB1 ALA A 240 10.460 2.193 -10.922 1.00 23.14 H new ATOM 0 HB2 ALA A 240 11.340 2.225 -9.376 1.00 23.14 H new ATOM 0 HB3 ALA A 240 9.642 1.694 -9.422 1.00 23.14 H new ATOM 1174 N ASN A 241 7.533 3.698 -9.677 1.00 14.44 N ATOM 1175 CA ASN A 241 6.177 3.817 -10.212 1.00 73.31 C ATOM 1176 C ASN A 241 5.602 5.199 -9.981 1.00 35.02 C ATOM 1177 O ASN A 241 4.420 5.389 -10.034 1.00 55.14 O ATOM 1178 CB ASN A 241 5.275 2.743 -9.599 1.00 65.42 C ATOM 1179 CG ASN A 241 5.787 1.340 -9.908 1.00 31.42 C ATOM 1180 OD1 ASN A 241 6.379 1.094 -10.970 1.00 14.30 O ATOM 1181 ND2 ASN A 241 5.600 0.426 -8.988 1.00 51.31 N ATOM 0 H ASN A 241 7.568 3.292 -8.742 1.00 14.44 H new ATOM 0 HA ASN A 241 6.226 3.665 -11.290 1.00 73.31 H new ATOM 0 HB2 ASN A 241 5.223 2.883 -8.519 1.00 65.42 H new ATOM 0 HB3 ASN A 241 4.261 2.855 -9.984 1.00 65.42 H new ATOM 0 HD21 ASN A 241 5.946 -0.522 -9.134 1.00 51.31 H new ATOM 0 HD22 ASN A 241 5.109 0.663 -8.126 1.00 51.31 H new ATOM 1187 N SER A 242 6.461 6.166 -9.772 1.00 43.21 N ATOM 1188 CA SER A 242 6.043 7.556 -9.610 1.00 31.21 C ATOM 1189 C SER A 242 5.397 8.105 -10.893 1.00 62.10 C ATOM 1190 O SER A 242 4.667 9.080 -10.863 1.00 11.25 O ATOM 1191 CB SER A 242 7.216 8.404 -9.138 1.00 61.14 C ATOM 1192 OG SER A 242 8.369 8.161 -9.938 1.00 45.22 O ATOM 0 H SER A 242 7.469 6.023 -9.708 1.00 43.21 H new ATOM 0 HA SER A 242 5.272 7.602 -8.841 1.00 31.21 H new ATOM 0 HB2 SER A 242 6.950 9.460 -9.186 1.00 61.14 H new ATOM 0 HB3 SER A 242 7.437 8.178 -8.095 1.00 61.14 H new ATOM 0 HG SER A 242 8.938 7.496 -9.498 1.00 45.22 H new ATOM 1198 N SER A 243 5.712 7.490 -12.015 1.00 63.13 N ATOM 1199 CA SER A 243 5.115 7.852 -13.280 1.00 1.01 C ATOM 1200 C SER A 243 3.607 7.465 -13.314 1.00 11.24 C ATOM 1201 O SER A 243 2.805 8.092 -14.022 1.00 73.43 O ATOM 1202 CB SER A 243 5.875 7.154 -14.397 1.00 63.03 C ATOM 1203 OG SER A 243 7.265 7.475 -14.323 1.00 13.22 O ATOM 0 H SER A 243 6.387 6.728 -12.073 1.00 63.13 H new ATOM 0 HA SER A 243 5.177 8.932 -13.414 1.00 1.01 H new ATOM 0 HB2 SER A 243 5.739 6.075 -14.321 1.00 63.03 H new ATOM 0 HB3 SER A 243 5.475 7.458 -15.364 1.00 63.03 H new ATOM 0 HG SER A 243 7.745 7.019 -15.046 1.00 13.22 H new ATOM 1209 N ASN A 244 3.254 6.442 -12.537 1.00 44.34 N ATOM 1210 CA ASN A 244 1.888 5.913 -12.416 1.00 63.45 C ATOM 1211 C ASN A 244 1.866 4.846 -11.339 1.00 41.13 C ATOM 1212 O ASN A 244 2.359 3.736 -11.539 1.00 21.03 O ATOM 1213 CB ASN A 244 1.302 5.387 -13.769 1.00 34.30 C ATOM 1214 CG ASN A 244 2.135 4.324 -14.500 1.00 12.40 C ATOM 1215 OD1 ASN A 244 1.961 3.122 -14.297 1.00 0.05 O ATOM 1216 ND2 ASN A 244 3.018 4.763 -15.378 1.00 14.15 N ATOM 0 H ASN A 244 3.926 5.941 -11.956 1.00 44.34 H new ATOM 0 HA ASN A 244 1.233 6.736 -12.130 1.00 63.45 H new ATOM 0 HB2 ASN A 244 0.312 4.974 -13.576 1.00 34.30 H new ATOM 0 HB3 ASN A 244 1.168 6.237 -14.438 1.00 34.30 H new ATOM 0 HD21 ASN A 244 3.580 4.100 -15.911 1.00 14.15 H new ATOM 0 HD22 ASN A 244 3.138 5.765 -15.523 1.00 14.15 H new ATOM 1222 N LEU A 245 1.356 5.197 -10.181 1.00 23.14 N ATOM 1223 CA LEU A 245 1.397 4.314 -9.042 1.00 73.12 C ATOM 1224 C LEU A 245 0.131 3.443 -9.018 1.00 44.35 C ATOM 1225 O LEU A 245 -0.917 3.907 -8.658 1.00 70.45 O ATOM 1226 CB LEU A 245 1.430 5.176 -7.763 1.00 12.20 C ATOM 1227 CG LEU A 245 2.124 4.600 -6.533 1.00 53.51 C ATOM 1228 CD1 LEU A 245 1.939 5.497 -5.349 1.00 43.14 C ATOM 1229 CD2 LEU A 245 1.677 3.217 -6.237 1.00 20.40 C ATOM 0 H LEU A 245 0.905 6.095 -10.004 1.00 23.14 H new ATOM 0 HA LEU A 245 2.277 3.674 -9.100 1.00 73.12 H new ATOM 0 HB2 LEU A 245 1.915 6.121 -8.009 1.00 12.20 H new ATOM 0 HB3 LEU A 245 0.401 5.407 -7.489 1.00 12.20 H new ATOM 0 HG LEU A 245 3.190 4.546 -6.756 1.00 53.51 H new ATOM 0 HD11 LEU A 245 2.442 5.066 -4.484 1.00 43.14 H new ATOM 0 HD12 LEU A 245 2.364 6.477 -5.565 1.00 43.14 H new ATOM 0 HD13 LEU A 245 0.875 5.602 -5.135 1.00 43.14 H new ATOM 0 HD21 LEU A 245 2.198 2.848 -5.353 1.00 20.40 H new ATOM 0 HD22 LEU A 245 0.603 3.213 -6.053 1.00 20.40 H new ATOM 0 HD23 LEU A 245 1.902 2.572 -7.087 1.00 20.40 H new ATOM 1237 N ILE A 246 0.228 2.211 -9.399 1.00 20.45 N ATOM 1238 CA ILE A 246 -0.935 1.346 -9.357 1.00 15.51 C ATOM 1239 C ILE A 246 -0.807 0.388 -8.177 1.00 43.54 C ATOM 1240 O ILE A 246 0.067 -0.442 -8.155 1.00 20.43 O ATOM 1241 CB ILE A 246 -1.059 0.522 -10.662 1.00 14.52 C ATOM 1242 CG1 ILE A 246 -1.101 1.446 -11.880 1.00 64.33 C ATOM 1243 CG2 ILE A 246 -2.305 -0.363 -10.620 1.00 2.44 C ATOM 1244 CD1 ILE A 246 -1.137 0.717 -13.204 1.00 62.11 C ATOM 0 H ILE A 246 1.083 1.773 -9.741 1.00 20.45 H new ATOM 0 HA ILE A 246 -1.824 1.968 -9.249 1.00 15.51 H new ATOM 0 HB ILE A 246 -0.182 -0.119 -10.747 1.00 14.52 H new ATOM 0 HG12 ILE A 246 -1.979 2.088 -11.806 1.00 64.33 H new ATOM 0 HG13 ILE A 246 -0.227 2.097 -11.859 1.00 64.33 H new ATOM 0 HG21 ILE A 246 -2.376 -0.935 -11.545 1.00 2.44 H new ATOM 0 HG22 ILE A 246 -2.237 -1.047 -9.774 1.00 2.44 H new ATOM 0 HG23 ILE A 246 -3.191 0.262 -10.510 1.00 2.44 H new ATOM 0 HD11 ILE A 246 -1.166 1.442 -14.018 1.00 62.11 H new ATOM 0 HD12 ILE A 246 -0.246 0.096 -13.302 1.00 62.11 H new ATOM 0 HD13 ILE A 246 -2.025 0.087 -13.248 1.00 62.11 H new ATOM 1251 N ILE A 247 -1.681 0.494 -7.220 1.00 13.43 N ATOM 1252 CA ILE A 247 -1.620 -0.377 -6.045 1.00 50.02 C ATOM 1253 C ILE A 247 -2.854 -1.231 -5.867 1.00 4.30 C ATOM 1254 O ILE A 247 -3.982 -0.755 -5.985 1.00 42.10 O ATOM 1255 CB ILE A 247 -1.296 0.415 -4.732 1.00 2.41 C ATOM 1256 CG1 ILE A 247 0.193 0.730 -4.639 1.00 43.10 C ATOM 1257 CG2 ILE A 247 -1.796 -0.286 -3.481 1.00 54.31 C ATOM 1258 CD1 ILE A 247 0.594 1.518 -3.405 1.00 52.35 C ATOM 0 H ILE A 247 -2.448 1.167 -7.214 1.00 13.43 H new ATOM 0 HA ILE A 247 -0.791 -1.058 -6.240 1.00 50.02 H new ATOM 0 HB ILE A 247 -1.842 1.357 -4.790 1.00 2.41 H new ATOM 0 HG12 ILE A 247 0.751 -0.206 -4.654 1.00 43.10 H new ATOM 0 HG13 ILE A 247 0.489 1.292 -5.525 1.00 43.10 H new ATOM 0 HG21 ILE A 247 -1.542 0.310 -2.604 1.00 54.31 H new ATOM 0 HG22 ILE A 247 -2.878 -0.405 -3.538 1.00 54.31 H new ATOM 0 HG23 ILE A 247 -1.327 -1.267 -3.401 1.00 54.31 H new ATOM 0 HD11 ILE A 247 1.669 1.697 -3.421 1.00 52.35 H new ATOM 0 HD12 ILE A 247 0.067 2.472 -3.396 1.00 52.35 H new ATOM 0 HD13 ILE A 247 0.334 0.951 -2.511 1.00 52.35 H new ATOM 1265 N THR A 248 -2.611 -2.494 -5.608 1.00 14.24 N ATOM 1266 CA THR A 248 -3.631 -3.440 -5.270 1.00 74.24 C ATOM 1267 C THR A 248 -3.569 -3.666 -3.786 1.00 64.41 C ATOM 1268 O THR A 248 -2.524 -4.050 -3.273 1.00 25.22 O ATOM 1269 CB THR A 248 -3.377 -4.798 -5.950 1.00 53.42 C ATOM 1270 OG1 THR A 248 -3.277 -4.617 -7.364 1.00 52.02 O ATOM 1271 CG2 THR A 248 -4.501 -5.795 -5.633 1.00 74.24 C ATOM 0 H THR A 248 -1.674 -2.895 -5.629 1.00 14.24 H new ATOM 0 HA THR A 248 -4.595 -3.050 -5.595 1.00 74.24 H new ATOM 0 HB THR A 248 -2.442 -5.204 -5.564 1.00 53.42 H new ATOM 0 HG1 THR A 248 -3.274 -5.491 -7.806 1.00 52.02 H new ATOM 0 HG21 THR A 248 -4.295 -6.745 -6.126 1.00 74.24 H new ATOM 0 HG22 THR A 248 -4.556 -5.950 -4.556 1.00 74.24 H new ATOM 0 HG23 THR A 248 -5.451 -5.399 -5.992 1.00 74.24 H new ATOM 1277 N VAL A 249 -4.632 -3.405 -3.106 1.00 65.11 N ATOM 1278 CA VAL A 249 -4.694 -3.685 -1.697 1.00 61.43 C ATOM 1279 C VAL A 249 -5.842 -4.599 -1.393 1.00 75.44 C ATOM 1280 O VAL A 249 -6.741 -4.805 -2.232 1.00 62.32 O ATOM 1281 CB VAL A 249 -4.792 -2.415 -0.767 1.00 64.00 C ATOM 1282 CG1 VAL A 249 -3.508 -1.594 -0.768 1.00 1.10 C ATOM 1283 CG2 VAL A 249 -6.001 -1.551 -1.125 1.00 24.11 C ATOM 0 H VAL A 249 -5.480 -2.995 -3.498 1.00 65.11 H new ATOM 0 HA VAL A 249 -3.739 -4.159 -1.469 1.00 61.43 H new ATOM 0 HB VAL A 249 -4.932 -2.783 0.249 1.00 64.00 H new ATOM 0 HG11 VAL A 249 -3.627 -0.731 -0.113 1.00 1.10 H new ATOM 0 HG12 VAL A 249 -2.682 -2.209 -0.411 1.00 1.10 H new ATOM 0 HG13 VAL A 249 -3.295 -1.253 -1.781 1.00 1.10 H new ATOM 0 HG21 VAL A 249 -6.038 -0.685 -0.464 1.00 24.11 H new ATOM 0 HG22 VAL A 249 -5.915 -1.216 -2.159 1.00 24.11 H new ATOM 0 HG23 VAL A 249 -6.913 -2.136 -1.008 1.00 24.11 H new ATOM 1289 N LYS A 250 -5.785 -5.161 -0.233 1.00 73.33 N ATOM 1290 CA LYS A 250 -6.825 -5.955 0.308 1.00 2.02 C ATOM 1291 C LYS A 250 -7.035 -5.525 1.739 1.00 54.10 C ATOM 1292 O LYS A 250 -6.077 -5.411 2.493 1.00 1.51 O ATOM 1293 CB LYS A 250 -6.495 -7.453 0.266 1.00 74.01 C ATOM 1294 CG LYS A 250 -5.185 -7.826 0.948 1.00 61.20 C ATOM 1295 CD LYS A 250 -5.079 -9.315 1.201 1.00 73.54 C ATOM 1296 CE LYS A 250 -6.119 -9.769 2.212 1.00 3.13 C ATOM 1297 NZ LYS A 250 -6.024 -11.222 2.500 1.00 73.13 N ATOM 0 H LYS A 250 -4.979 -5.074 0.385 1.00 73.33 H new ATOM 0 HA LYS A 250 -7.725 -5.810 -0.290 1.00 2.02 H new ATOM 0 HB2 LYS A 250 -7.307 -8.005 0.739 1.00 74.01 H new ATOM 0 HB3 LYS A 250 -6.454 -7.775 -0.775 1.00 74.01 H new ATOM 0 HG2 LYS A 250 -4.349 -7.504 0.327 1.00 61.20 H new ATOM 0 HG3 LYS A 250 -5.104 -7.291 1.894 1.00 61.20 H new ATOM 0 HD2 LYS A 250 -5.215 -9.857 0.265 1.00 73.54 H new ATOM 0 HD3 LYS A 250 -4.081 -9.556 1.567 1.00 73.54 H new ATOM 0 HE2 LYS A 250 -5.992 -9.208 3.138 1.00 3.13 H new ATOM 0 HE3 LYS A 250 -7.115 -9.540 1.834 1.00 3.13 H new ATOM 0 HZ1 LYS A 250 -6.752 -11.487 3.194 1.00 73.13 H new ATOM 0 HZ2 LYS A 250 -6.171 -11.760 1.622 1.00 73.13 H new ATOM 0 HZ3 LYS A 250 -5.083 -11.439 2.886 1.00 73.13 H new ATOM 1311 N PRO A 251 -8.248 -5.234 2.130 1.00 74.30 N ATOM 1312 CA PRO A 251 -8.525 -4.850 3.501 1.00 12.42 C ATOM 1313 C PRO A 251 -8.171 -5.953 4.497 1.00 45.42 C ATOM 1314 O PRO A 251 -8.531 -7.124 4.302 1.00 73.00 O ATOM 1315 CB PRO A 251 -10.034 -4.592 3.515 1.00 32.43 C ATOM 1316 CG PRO A 251 -10.406 -4.368 2.089 1.00 13.32 C ATOM 1317 CD PRO A 251 -9.445 -5.179 1.276 1.00 51.33 C ATOM 0 HA PRO A 251 -7.931 -3.987 3.801 1.00 12.42 H new ATOM 0 HB2 PRO A 251 -10.575 -5.441 3.934 1.00 32.43 H new ATOM 0 HB3 PRO A 251 -10.279 -3.724 4.127 1.00 32.43 H new ATOM 0 HG2 PRO A 251 -11.434 -4.678 1.901 1.00 13.32 H new ATOM 0 HG3 PRO A 251 -10.340 -3.311 1.831 1.00 13.32 H new ATOM 0 HD2 PRO A 251 -9.836 -6.174 1.065 1.00 51.33 H new ATOM 0 HD3 PRO A 251 -9.233 -4.709 0.315 1.00 51.33 H new