USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 541 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 64 LYS NZ :NH3+ -115:sc= -1.39 (180deg=-3.78!) USER MOD Set 1.2: A 66 HIS : no HE2:sc= -0.609 K(o=-2,f=-8.8!) USER MOD Set 2.1: A 37 ASN : amide:sc= -2.24! C(o=-2.2!,f=-14!) USER MOD Set 2.2: A 38 THR OG1 : rot -68:sc= 0.0121 USER MOD Set 3.1: A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 11 SER OG : rot 180:sc= -0.107 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.975! C(o=-0.97!,f=-0.96!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.066 X(o=-0.066,f=-0.066) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.51! C(o=-2.5!,f=-5.5!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -15:sc= -1.05 USER MOD Single : A 49 LYS NZ :NH3+ -126:sc= -1.65 (180deg=-2.22) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00776 K(o=-0.0078,f=-1.8!) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= -0.0529 (180deg=-0.425) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 7 -9.152 -5.866 3.434 1.00 1.00 N ATOM 89 CA VAL A 7 -8.743 -4.701 4.218 1.00 1.00 C ATOM 90 C VAL A 7 -9.455 -3.445 3.715 1.00 1.00 C ATOM 91 O VAL A 7 -9.033 -2.827 2.741 1.00 1.00 O ATOM 92 CB VAL A 7 -7.232 -4.511 4.104 1.00 1.00 C ATOM 93 CG1 VAL A 7 -6.780 -3.374 5.021 1.00 1.00 C ATOM 94 CG2 VAL A 7 -6.529 -5.807 4.510 1.00 1.00 C ATOM 0 HA VAL A 7 -9.014 -4.867 5.261 1.00 1.00 H new ATOM 0 HB VAL A 7 -6.976 -4.261 3.075 1.00 1.00 H new ATOM 0 HG11 VAL A 7 -5.701 -3.244 4.935 1.00 1.00 H new ATOM 0 HG12 VAL A 7 -7.281 -2.451 4.730 1.00 1.00 H new ATOM 0 HG13 VAL A 7 -7.035 -3.616 6.053 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -5.450 -5.676 4.430 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -6.789 -6.055 5.539 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -6.846 -6.615 3.851 1.00 1.00 H new ATOM 104 N TYR A 8 -10.555 -3.100 4.374 1.00 1.00 N ATOM 105 CA TYR A 8 -11.359 -1.941 3.978 1.00 1.00 C ATOM 106 C TYR A 8 -10.550 -0.645 4.052 1.00 1.00 C ATOM 107 O TYR A 8 -10.160 -0.206 5.133 1.00 1.00 O ATOM 108 CB TYR A 8 -12.594 -1.829 4.903 1.00 1.00 C ATOM 109 CG TYR A 8 -13.112 -3.222 5.238 1.00 1.00 C ATOM 110 CD1 TYR A 8 -13.441 -4.112 4.207 1.00 1.00 C ATOM 111 CD2 TYR A 8 -13.259 -3.625 6.578 1.00 1.00 C ATOM 112 CE1 TYR A 8 -13.912 -5.397 4.511 1.00 1.00 C ATOM 113 CE2 TYR A 8 -13.732 -4.906 6.876 1.00 1.00 C ATOM 114 CZ TYR A 8 -14.057 -5.790 5.845 1.00 1.00 C ATOM 115 OH TYR A 8 -14.529 -7.050 6.144 1.00 1.00 O ATOM 0 H TYR A 8 -10.914 -3.604 5.185 1.00 1.00 H new ATOM 0 HA TYR A 8 -11.674 -2.086 2.945 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -12.328 -1.299 5.818 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -13.376 -1.248 4.414 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -13.332 -3.808 3.177 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -13.006 -2.944 7.377 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -14.163 -6.083 3.715 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -13.846 -5.213 7.905 1.00 1.00 H new ATOM 0 HH TYR A 8 -14.568 -7.162 7.117 1.00 1.00 H new ATOM 125 N VAL A 9 -10.315 -0.034 2.891 1.00 1.00 N ATOM 126 CA VAL A 9 -9.563 1.220 2.821 1.00 1.00 C ATOM 127 C VAL A 9 -10.468 2.390 3.195 1.00 1.00 C ATOM 128 O VAL A 9 -11.582 2.503 2.681 1.00 1.00 O ATOM 129 CB VAL A 9 -9.021 1.411 1.393 1.00 1.00 C ATOM 130 CG1 VAL A 9 -8.380 2.802 1.241 1.00 1.00 C ATOM 131 CG2 VAL A 9 -7.969 0.333 1.110 1.00 1.00 C ATOM 0 H VAL A 9 -10.633 -0.385 1.988 1.00 1.00 H new ATOM 0 HA VAL A 9 -8.729 1.182 3.522 1.00 1.00 H new ATOM 0 HB VAL A 9 -9.846 1.327 0.685 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.002 2.920 0.225 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -9.126 3.571 1.442 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.557 2.902 1.948 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -7.580 0.461 0.100 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.153 0.423 1.827 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.425 -0.653 1.201 1.00 1.00 H new ATOM 141 N MET A 10 -10.001 3.260 4.095 1.00 1.00 N ATOM 142 CA MET A 10 -10.788 4.401 4.525 1.00 1.00 C ATOM 143 C MET A 10 -10.700 5.558 3.526 1.00 1.00 C ATOM 144 O MET A 10 -11.673 5.855 2.835 1.00 1.00 O ATOM 145 CB MET A 10 -10.279 4.856 5.910 1.00 1.00 C ATOM 146 CG MET A 10 -10.812 6.259 6.248 1.00 1.00 C ATOM 147 SD MET A 10 -10.748 6.538 8.036 1.00 1.00 S ATOM 148 CE MET A 10 -11.220 8.285 8.006 1.00 1.00 C ATOM 0 H MET A 10 -9.083 3.190 4.534 1.00 1.00 H new ATOM 0 HA MET A 10 -11.835 4.103 4.583 1.00 1.00 H new ATOM 0 HB2 MET A 10 -10.599 4.146 6.672 1.00 1.00 H new ATOM 0 HB3 MET A 10 -9.189 4.863 5.919 1.00 1.00 H new ATOM 0 HG2 MET A 10 -10.219 7.015 5.733 1.00 1.00 H new ATOM 0 HG3 MET A 10 -11.837 6.362 5.893 1.00 1.00 H new ATOM 0 HE1 MET A 10 -11.245 8.673 9.024 1.00 1.00 H new ATOM 0 HE2 MET A 10 -10.493 8.848 7.421 1.00 1.00 H new ATOM 0 HE3 MET A 10 -12.207 8.388 7.554 1.00 1.00 H new ATOM 158 N SER A 11 -9.544 6.233 3.488 1.00 1.00 N ATOM 159 CA SER A 11 -9.358 7.393 2.602 1.00 1.00 C ATOM 160 C SER A 11 -8.081 7.263 1.786 1.00 1.00 C ATOM 161 O SER A 11 -7.187 6.491 2.123 1.00 1.00 O ATOM 162 CB SER A 11 -9.309 8.672 3.445 1.00 1.00 C ATOM 163 OG SER A 11 -10.553 8.841 4.113 1.00 1.00 O ATOM 0 H SER A 11 -8.729 6.000 4.055 1.00 1.00 H new ATOM 0 HA SER A 11 -10.198 7.437 1.908 1.00 1.00 H new ATOM 0 HB2 SER A 11 -8.498 8.612 4.171 1.00 1.00 H new ATOM 0 HB3 SER A 11 -9.104 9.533 2.809 1.00 1.00 H new ATOM 0 HG SER A 11 -10.525 9.657 4.655 1.00 1.00 H new ATOM 169 N VAL A 12 -8.010 8.048 0.708 1.00 1.00 N ATOM 170 CA VAL A 12 -6.842 8.058 -0.182 1.00 1.00 C ATOM 171 C VAL A 12 -6.321 9.477 -0.293 1.00 1.00 C ATOM 172 O VAL A 12 -7.090 10.408 -0.515 1.00 1.00 O ATOM 173 CB VAL A 12 -7.224 7.539 -1.577 1.00 1.00 C ATOM 174 CG1 VAL A 12 -6.033 7.683 -2.542 1.00 1.00 C ATOM 175 CG2 VAL A 12 -7.630 6.062 -1.480 1.00 1.00 C ATOM 0 H VAL A 12 -8.752 8.689 0.428 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.071 7.407 0.231 1.00 1.00 H new ATOM 0 HB VAL A 12 -8.061 8.125 -1.957 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -6.316 7.312 -3.527 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -5.751 8.733 -2.617 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -5.188 7.106 -2.166 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -7.901 5.693 -2.469 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -6.794 5.480 -1.092 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -8.484 5.963 -0.809 1.00 1.00 H new ATOM 185 N LEU A 13 -5.007 9.639 -0.121 1.00 1.00 N ATOM 186 CA LEU A 13 -4.394 10.958 -0.187 1.00 1.00 C ATOM 187 C LEU A 13 -3.970 11.319 -1.621 1.00 1.00 C ATOM 188 O LEU A 13 -3.076 10.689 -2.184 1.00 1.00 O ATOM 189 CB LEU A 13 -3.191 11.018 0.766 1.00 1.00 C ATOM 190 CG LEU A 13 -3.685 11.270 2.217 1.00 1.00 C ATOM 191 CD1 LEU A 13 -4.307 12.700 2.363 1.00 1.00 C ATOM 192 CD2 LEU A 13 -4.736 10.193 2.591 1.00 1.00 C ATOM 0 H LEU A 13 -4.355 8.876 0.063 1.00 1.00 H new ATOM 0 HA LEU A 13 -5.136 11.694 0.123 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -2.631 10.084 0.719 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -2.511 11.813 0.460 1.00 1.00 H new ATOM 0 HG LEU A 13 -2.832 11.207 2.893 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -4.644 12.847 3.389 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -3.556 13.450 2.116 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -5.155 12.799 1.685 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -5.087 10.365 3.609 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -5.579 10.252 1.902 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -4.283 9.204 2.525 1.00 1.00 H new ATOM 204 N PRO A 14 -4.571 12.332 -2.216 1.00 1.00 N ATOM 205 CA PRO A 14 -4.201 12.772 -3.591 1.00 1.00 C ATOM 206 C PRO A 14 -2.697 13.040 -3.730 1.00 1.00 C ATOM 207 O PRO A 14 -2.167 13.079 -4.839 1.00 1.00 O ATOM 208 CB PRO A 14 -5.018 14.071 -3.796 1.00 1.00 C ATOM 209 CG PRO A 14 -6.183 13.949 -2.865 1.00 1.00 C ATOM 210 CD PRO A 14 -5.668 13.164 -1.665 1.00 1.00 C ATOM 0 HA PRO A 14 -4.419 12.007 -4.336 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -4.420 14.953 -3.566 1.00 1.00 H new ATOM 0 HB3 PRO A 14 -5.348 14.170 -4.830 1.00 1.00 H new ATOM 0 HG2 PRO A 14 -6.548 14.931 -2.564 1.00 1.00 H new ATOM 0 HG3 PRO A 14 -7.015 13.432 -3.344 1.00 1.00 H new ATOM 0 HD2 PRO A 14 -5.308 13.828 -0.880 1.00 1.00 H new ATOM 0 HD3 PRO A 14 -6.453 12.548 -1.226 1.00 1.00 H new ATOM 218 N ASN A 15 -2.019 13.255 -2.598 1.00 1.00 N ATOM 219 CA ASN A 15 -0.579 13.547 -2.608 1.00 1.00 C ATOM 220 C ASN A 15 0.229 12.304 -2.293 1.00 1.00 C ATOM 221 O ASN A 15 1.377 12.402 -1.859 1.00 1.00 O ATOM 222 CB ASN A 15 -0.255 14.631 -1.575 1.00 1.00 C ATOM 223 CG ASN A 15 1.213 15.038 -1.691 1.00 1.00 C ATOM 224 OD1 ASN A 15 1.963 14.951 -0.718 1.00 1.00 O ATOM 225 ND2 ASN A 15 1.671 15.468 -2.835 1.00 1.00 N ATOM 0 H ASN A 15 -2.439 13.233 -1.669 1.00 1.00 H new ATOM 0 HA ASN A 15 -0.315 13.897 -3.606 1.00 1.00 H new ATOM 0 HB2 ASN A 15 -0.895 15.499 -1.733 1.00 1.00 H new ATOM 0 HB3 ASN A 15 -0.461 14.261 -0.570 1.00 1.00 H new ATOM 0 HD21 ASN A 15 2.652 15.733 -2.925 1.00 1.00 H new ATOM 0 HD22 ASN A 15 1.048 15.539 -3.639 1.00 1.00 H new ATOM 232 N MET A 16 -0.370 11.124 -2.514 1.00 1.00 N ATOM 233 CA MET A 16 0.320 9.859 -2.245 1.00 1.00 C ATOM 234 C MET A 16 0.417 9.005 -3.520 1.00 1.00 C ATOM 235 O MET A 16 -0.348 9.205 -4.466 1.00 1.00 O ATOM 236 CB MET A 16 -0.409 9.086 -1.118 1.00 1.00 C ATOM 237 CG MET A 16 0.127 9.524 0.255 1.00 1.00 C ATOM 238 SD MET A 16 1.793 8.857 0.485 1.00 1.00 S ATOM 239 CE MET A 16 1.970 9.283 2.231 1.00 1.00 C ATOM 0 H MET A 16 -1.319 11.022 -2.874 1.00 1.00 H new ATOM 0 HA MET A 16 1.335 10.080 -1.915 1.00 1.00 H new ATOM 0 HB2 MET A 16 -1.482 9.271 -1.174 1.00 1.00 H new ATOM 0 HB3 MET A 16 -0.263 8.014 -1.249 1.00 1.00 H new ATOM 0 HG2 MET A 16 0.146 10.612 0.321 1.00 1.00 H new ATOM 0 HG3 MET A 16 -0.532 9.168 1.046 1.00 1.00 H new ATOM 0 HE1 MET A 16 2.947 8.956 2.588 1.00 1.00 H new ATOM 0 HE2 MET A 16 1.882 10.363 2.353 1.00 1.00 H new ATOM 0 HE3 MET A 16 1.189 8.788 2.807 1.00 1.00 H new ATOM 249 N PRO A 17 1.345 8.067 -3.562 1.00 1.00 N ATOM 250 CA PRO A 17 1.540 7.182 -4.753 1.00 1.00 C ATOM 251 C PRO A 17 0.289 6.355 -5.091 1.00 1.00 C ATOM 252 O PRO A 17 0.143 5.886 -6.219 1.00 1.00 O ATOM 253 CB PRO A 17 2.718 6.254 -4.349 1.00 1.00 C ATOM 254 CG PRO A 17 3.398 6.941 -3.202 1.00 1.00 C ATOM 255 CD PRO A 17 2.314 7.739 -2.490 1.00 1.00 C ATOM 0 HA PRO A 17 1.739 7.767 -5.651 1.00 1.00 H new ATOM 0 HB2 PRO A 17 2.358 5.268 -4.057 1.00 1.00 H new ATOM 0 HB3 PRO A 17 3.406 6.108 -5.182 1.00 1.00 H new ATOM 0 HG2 PRO A 17 3.855 6.216 -2.528 1.00 1.00 H new ATOM 0 HG3 PRO A 17 4.195 7.595 -3.556 1.00 1.00 H new ATOM 0 HD2 PRO A 17 1.847 7.157 -1.695 1.00 1.00 H new ATOM 0 HD3 PRO A 17 2.719 8.640 -2.030 1.00 1.00 H new ATOM 263 N ALA A 18 -0.596 6.156 -4.112 1.00 1.00 N ATOM 264 CA ALA A 18 -1.807 5.354 -4.328 1.00 1.00 C ATOM 265 C ALA A 18 -2.883 6.145 -5.080 1.00 1.00 C ATOM 266 O ALA A 18 -3.854 5.575 -5.575 1.00 1.00 O ATOM 267 CB ALA A 18 -2.347 4.903 -2.965 1.00 1.00 C ATOM 0 H ALA A 18 -0.501 6.534 -3.170 1.00 1.00 H new ATOM 0 HA ALA A 18 -1.549 4.490 -4.941 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -3.247 4.306 -3.110 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.593 4.304 -2.455 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -2.585 5.778 -2.360 1.00 1.00 H new ATOM 273 N ALA A 19 -2.704 7.456 -5.157 1.00 1.00 N ATOM 274 CA ALA A 19 -3.671 8.309 -5.846 1.00 1.00 C ATOM 275 C ALA A 19 -3.667 8.016 -7.343 1.00 1.00 C ATOM 276 O ALA A 19 -2.610 7.936 -7.969 1.00 1.00 O ATOM 277 CB ALA A 19 -3.349 9.780 -5.606 1.00 1.00 C ATOM 0 H ALA A 19 -1.908 7.952 -4.756 1.00 1.00 H new ATOM 0 HA ALA A 19 -4.662 8.095 -5.447 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -4.078 10.402 -6.126 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -3.388 9.991 -4.537 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.350 10.000 -5.983 1.00 1.00 H new ATOM 283 N GLY A 20 -4.861 7.857 -7.913 1.00 1.00 N ATOM 284 CA GLY A 20 -5.006 7.571 -9.346 1.00 1.00 C ATOM 285 C GLY A 20 -4.933 6.071 -9.611 1.00 1.00 C ATOM 286 O GLY A 20 -5.387 5.594 -10.651 1.00 1.00 O ATOM 0 H GLY A 20 -5.744 7.921 -7.407 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -5.958 7.962 -9.705 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -4.221 8.082 -9.904 1.00 1.00 H new ATOM 290 N ARG A 21 -4.360 5.331 -8.660 1.00 1.00 N ATOM 291 CA ARG A 21 -4.223 3.875 -8.784 1.00 1.00 C ATOM 292 C ARG A 21 -5.236 3.174 -7.891 1.00 1.00 C ATOM 293 O ARG A 21 -5.839 2.178 -8.291 1.00 1.00 O ATOM 294 CB ARG A 21 -2.807 3.451 -8.385 1.00 1.00 C ATOM 295 CG ARG A 21 -1.804 3.955 -9.426 1.00 1.00 C ATOM 296 CD ARG A 21 -0.395 3.550 -8.997 1.00 1.00 C ATOM 297 NE ARG A 21 0.590 4.003 -9.981 1.00 1.00 N ATOM 298 CZ ARG A 21 1.120 5.228 -9.938 1.00 1.00 C ATOM 299 NH1 ARG A 21 0.755 6.072 -9.012 1.00 1.00 N ATOM 300 NH2 ARG A 21 2.009 5.581 -10.826 1.00 1.00 N ATOM 0 H ARG A 21 -3.982 5.715 -7.794 1.00 1.00 H new ATOM 0 HA ARG A 21 -4.407 3.592 -9.820 1.00 1.00 H new ATOM 0 HB2 ARG A 21 -2.560 3.854 -7.403 1.00 1.00 H new ATOM 0 HB3 ARG A 21 -2.751 2.365 -8.308 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -2.035 3.535 -10.405 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.872 5.039 -9.520 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -0.168 3.980 -8.022 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -0.338 2.467 -8.889 1.00 1.00 H new ATOM 0 HE ARG A 21 0.880 3.364 -10.721 1.00 1.00 H new ATOM 0 HH11 ARG A 21 0.062 5.797 -8.316 1.00 1.00 H new ATOM 0 HH12 ARG A 21 1.163 7.006 -8.984 1.00 1.00 H new ATOM 0 HH21 ARG A 21 2.297 4.922 -11.550 1.00 1.00 H new ATOM 0 HH22 ARG A 21 2.416 6.516 -10.796 1.00 1.00 H new ATOM 314 N LEU A 22 -5.412 3.699 -6.674 1.00 1.00 N ATOM 315 CA LEU A 22 -6.352 3.126 -5.699 1.00 1.00 C ATOM 316 C LEU A 22 -7.390 4.162 -5.305 1.00 1.00 C ATOM 317 O LEU A 22 -7.166 5.365 -5.432 1.00 1.00 O ATOM 318 CB LEU A 22 -5.571 2.631 -4.447 1.00 1.00 C ATOM 319 CG LEU A 22 -5.548 1.087 -4.382 1.00 1.00 C ATOM 320 CD1 LEU A 22 -4.457 0.629 -3.413 1.00 1.00 C ATOM 321 CD2 LEU A 22 -6.911 0.575 -3.887 1.00 1.00 C ATOM 0 H LEU A 22 -4.914 4.523 -6.338 1.00 1.00 H new ATOM 0 HA LEU A 22 -6.867 2.278 -6.150 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -4.550 3.012 -4.477 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -6.034 3.030 -3.544 1.00 1.00 H new ATOM 0 HG LEU A 22 -5.344 0.688 -5.376 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -4.443 -0.460 -3.369 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -3.488 0.991 -3.758 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -4.661 1.030 -2.420 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -6.896 -0.514 -3.841 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -7.112 0.977 -2.894 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -7.693 0.898 -4.575 1.00 1.00 H new ATOM 333 N GLU A 23 -8.542 3.674 -4.837 1.00 1.00 N ATOM 334 CA GLU A 23 -9.642 4.549 -4.433 1.00 1.00 C ATOM 335 C GLU A 23 -10.293 4.054 -3.144 1.00 1.00 C ATOM 336 O GLU A 23 -10.228 2.870 -2.809 1.00 1.00 O ATOM 337 CB GLU A 23 -10.687 4.603 -5.551 1.00 1.00 C ATOM 338 CG GLU A 23 -10.116 5.360 -6.761 1.00 1.00 C ATOM 339 CD GLU A 23 -11.124 5.378 -7.907 1.00 1.00 C ATOM 340 OE1 GLU A 23 -12.216 4.866 -7.722 1.00 1.00 O ATOM 341 OE2 GLU A 23 -10.786 5.902 -8.955 1.00 1.00 O ATOM 0 H GLU A 23 -8.736 2.678 -4.729 1.00 1.00 H new ATOM 0 HA GLU A 23 -9.241 5.546 -4.251 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -10.972 3.593 -5.844 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -11.590 5.098 -5.194 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -9.866 6.381 -6.473 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -9.191 4.886 -7.090 1.00 1.00 H new ATOM 348 N ALA A 24 -10.927 4.982 -2.435 1.00 1.00 N ATOM 349 CA ALA A 24 -11.601 4.655 -1.189 1.00 1.00 C ATOM 350 C ALA A 24 -12.689 3.623 -1.456 1.00 1.00 C ATOM 351 O ALA A 24 -13.453 3.749 -2.411 1.00 1.00 O ATOM 352 CB ALA A 24 -12.220 5.919 -0.586 1.00 1.00 C ATOM 0 H ALA A 24 -10.987 5.964 -2.703 1.00 1.00 H new ATOM 0 HA ALA A 24 -10.878 4.244 -0.484 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -12.724 5.668 0.347 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -11.436 6.650 -0.390 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -12.942 6.340 -1.286 1.00 1.00 H new ATOM 358 N GLY A 25 -12.748 2.593 -0.609 1.00 1.00 N ATOM 359 CA GLY A 25 -13.737 1.515 -0.753 1.00 1.00 C ATOM 360 C GLY A 25 -13.066 0.238 -1.243 1.00 1.00 C ATOM 361 O GLY A 25 -13.546 -0.867 -0.981 1.00 1.00 O ATOM 0 H GLY A 25 -12.121 2.480 0.188 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -14.226 1.332 0.204 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -14.514 1.817 -1.455 1.00 1.00 H new ATOM 365 N ASP A 26 -11.948 0.391 -1.953 1.00 1.00 N ATOM 366 CA ASP A 26 -11.215 -0.767 -2.467 1.00 1.00 C ATOM 367 C ASP A 26 -10.555 -1.528 -1.323 1.00 1.00 C ATOM 368 O ASP A 26 -10.119 -0.925 -0.344 1.00 1.00 O ATOM 369 CB ASP A 26 -10.145 -0.307 -3.456 1.00 1.00 C ATOM 370 CG ASP A 26 -10.778 0.592 -4.511 1.00 1.00 C ATOM 371 OD1 ASP A 26 -11.915 0.338 -4.873 1.00 1.00 O ATOM 372 OD2 ASP A 26 -10.117 1.523 -4.940 1.00 1.00 O ATOM 0 H ASP A 26 -11.534 1.294 -2.184 1.00 1.00 H new ATOM 0 HA ASP A 26 -11.919 -1.427 -2.973 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -9.357 0.232 -2.930 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -9.679 -1.170 -3.931 1.00 1.00 H new ATOM 377 N ARG A 27 -10.484 -2.859 -1.450 1.00 1.00 N ATOM 378 CA ARG A 27 -9.875 -3.711 -0.423 1.00 1.00 C ATOM 379 C ARG A 27 -8.572 -4.316 -0.930 1.00 1.00 C ATOM 380 O ARG A 27 -8.391 -4.507 -2.128 1.00 1.00 O ATOM 381 CB ARG A 27 -10.841 -4.836 -0.032 1.00 1.00 C ATOM 382 CG ARG A 27 -11.312 -5.610 -1.282 1.00 1.00 C ATOM 383 CD ARG A 27 -11.928 -6.953 -0.865 1.00 1.00 C ATOM 384 NE ARG A 27 -12.555 -7.586 -2.015 1.00 1.00 N ATOM 385 CZ ARG A 27 -13.013 -8.833 -1.952 1.00 1.00 C ATOM 386 NH1 ARG A 27 -12.898 -9.520 -0.848 1.00 1.00 N ATOM 387 NH2 ARG A 27 -13.576 -9.368 -2.998 1.00 1.00 N ATOM 0 H ARG A 27 -10.842 -3.370 -2.257 1.00 1.00 H new ATOM 0 HA ARG A 27 -9.662 -3.094 0.450 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -10.350 -5.519 0.661 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -11.702 -4.418 0.489 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -12.045 -5.019 -1.831 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -10.471 -5.779 -1.954 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -11.157 -7.605 -0.455 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -12.665 -6.796 -0.078 1.00 1.00 H new ATOM 0 HE ARG A 27 -12.645 -7.063 -2.886 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -12.456 -9.101 -0.030 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -13.250 -10.476 -0.803 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -13.664 -8.831 -3.861 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -13.929 -10.324 -2.954 1.00 1.00 H new ATOM 401 N ILE A 28 -7.671 -4.627 0.002 1.00 1.00 N ATOM 402 CA ILE A 28 -6.377 -5.223 -0.352 1.00 1.00 C ATOM 403 C ILE A 28 -6.455 -6.736 -0.231 1.00 1.00 C ATOM 404 O ILE A 28 -6.721 -7.272 0.844 1.00 1.00 O ATOM 405 CB ILE A 28 -5.269 -4.677 0.564 1.00 1.00 C ATOM 406 CG1 ILE A 28 -5.405 -3.147 0.686 1.00 1.00 C ATOM 407 CG2 ILE A 28 -3.892 -5.027 -0.014 1.00 1.00 C ATOM 408 CD1 ILE A 28 -5.455 -2.485 -0.703 1.00 1.00 C ATOM 0 H ILE A 28 -7.809 -4.479 1.002 1.00 1.00 H new ATOM 0 HA ILE A 28 -6.138 -4.959 -1.382 1.00 1.00 H new ATOM 0 HB ILE A 28 -5.367 -5.130 1.551 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -6.310 -2.902 1.242 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -4.564 -2.748 1.253 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -3.113 -4.637 0.641 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -3.794 -6.110 -0.090 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -3.790 -4.583 -1.004 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -5.551 -1.405 -0.588 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -4.538 -2.712 -1.247 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -6.311 -2.868 -1.258 1.00 1.00 H new ATOM 420 N ALA A 29 -6.221 -7.420 -1.346 1.00 1.00 N ATOM 421 CA ALA A 29 -6.267 -8.885 -1.371 1.00 1.00 C ATOM 422 C ALA A 29 -4.882 -9.478 -1.151 1.00 1.00 C ATOM 423 O ALA A 29 -4.759 -10.654 -0.822 1.00 1.00 O ATOM 424 CB ALA A 29 -6.818 -9.358 -2.720 1.00 1.00 C ATOM 0 H ALA A 29 -5.998 -6.989 -2.243 1.00 1.00 H new ATOM 0 HA ALA A 29 -6.919 -9.223 -0.565 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -6.852 -10.447 -2.737 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -7.823 -8.961 -2.862 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -6.171 -9.002 -3.522 1.00 1.00 H new ATOM 430 N ALA A 30 -3.849 -8.655 -1.324 1.00 1.00 N ATOM 431 CA ALA A 30 -2.474 -9.120 -1.139 1.00 1.00 C ATOM 432 C ALA A 30 -1.475 -8.035 -1.527 1.00 1.00 C ATOM 433 O ALA A 30 -1.812 -7.072 -2.213 1.00 1.00 O ATOM 434 CB ALA A 30 -2.222 -10.380 -1.999 1.00 1.00 C ATOM 0 H ALA A 30 -3.935 -7.674 -1.589 1.00 1.00 H new ATOM 0 HA ALA A 30 -2.337 -9.361 -0.085 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -1.196 -10.719 -1.855 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -2.911 -11.169 -1.698 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -2.381 -10.141 -3.050 1.00 1.00 H new ATOM 440 N ILE A 31 -0.226 -8.224 -1.098 1.00 1.00 N ATOM 441 CA ILE A 31 0.858 -7.294 -1.419 1.00 1.00 C ATOM 442 C ILE A 31 2.103 -8.078 -1.823 1.00 1.00 C ATOM 443 O ILE A 31 2.572 -8.938 -1.088 1.00 1.00 O ATOM 444 CB ILE A 31 1.174 -6.378 -0.226 1.00 1.00 C ATOM 445 CG1 ILE A 31 -0.049 -5.502 0.074 1.00 1.00 C ATOM 446 CG2 ILE A 31 2.381 -5.480 -0.561 1.00 1.00 C ATOM 447 CD1 ILE A 31 0.192 -4.696 1.350 1.00 1.00 C ATOM 0 H ILE A 31 0.061 -9.017 -0.524 1.00 1.00 H new ATOM 0 HA ILE A 31 0.538 -6.665 -2.250 1.00 1.00 H new ATOM 0 HB ILE A 31 1.414 -6.987 0.646 1.00 1.00 H new ATOM 0 HG12 ILE A 31 -0.239 -4.829 -0.762 1.00 1.00 H new ATOM 0 HG13 ILE A 31 -0.935 -6.126 0.189 1.00 1.00 H new ATOM 0 HG21 ILE A 31 2.600 -4.833 0.288 1.00 1.00 H new ATOM 0 HG22 ILE A 31 3.249 -6.103 -0.776 1.00 1.00 H new ATOM 0 HG23 ILE A 31 2.148 -4.868 -1.433 1.00 1.00 H new ATOM 0 HD11 ILE A 31 -0.680 -4.076 1.559 1.00 1.00 H new ATOM 0 HD12 ILE A 31 0.361 -5.377 2.184 1.00 1.00 H new ATOM 0 HD13 ILE A 31 1.067 -4.060 1.219 1.00 1.00 H new ATOM 459 N ASP A 32 2.630 -7.754 -2.993 1.00 1.00 N ATOM 460 CA ASP A 32 3.830 -8.410 -3.511 1.00 1.00 C ATOM 461 C ASP A 32 3.700 -9.933 -3.442 1.00 1.00 C ATOM 462 O ASP A 32 4.693 -10.656 -3.526 1.00 1.00 O ATOM 463 CB ASP A 32 5.066 -7.930 -2.724 1.00 1.00 C ATOM 464 CG ASP A 32 5.215 -8.672 -1.394 1.00 1.00 C ATOM 465 OD1 ASP A 32 5.788 -9.750 -1.404 1.00 1.00 O ATOM 466 OD2 ASP A 32 4.753 -8.155 -0.391 1.00 1.00 O ATOM 0 H ASP A 32 2.246 -7.037 -3.608 1.00 1.00 H new ATOM 0 HA ASP A 32 3.950 -8.139 -4.560 1.00 1.00 H new ATOM 0 HB2 ASP A 32 5.962 -8.080 -3.327 1.00 1.00 H new ATOM 0 HB3 ASP A 32 4.984 -6.859 -2.536 1.00 1.00 H new ATOM 471 N GLY A 33 2.467 -10.404 -3.301 1.00 1.00 N ATOM 472 CA GLY A 33 2.184 -11.844 -3.234 1.00 1.00 C ATOM 473 C GLY A 33 1.885 -12.301 -1.817 1.00 1.00 C ATOM 474 O GLY A 33 1.548 -13.460 -1.611 1.00 1.00 O ATOM 0 H GLY A 33 1.640 -9.812 -3.230 1.00 1.00 H new ATOM 0 HA2 GLY A 33 1.335 -12.077 -3.876 1.00 1.00 H new ATOM 0 HA3 GLY A 33 3.038 -12.400 -3.621 1.00 1.00 H new ATOM 478 N GLN A 34 2.035 -11.398 -0.845 1.00 1.00 N ATOM 479 CA GLN A 34 1.794 -11.725 0.567 1.00 1.00 C ATOM 480 C GLN A 34 0.346 -11.396 0.979 1.00 1.00 C ATOM 481 O GLN A 34 -0.003 -10.220 1.101 1.00 1.00 O ATOM 482 CB GLN A 34 2.749 -10.934 1.460 1.00 1.00 C ATOM 483 CG GLN A 34 4.192 -11.202 1.019 1.00 1.00 C ATOM 484 CD GLN A 34 4.574 -12.660 1.283 1.00 1.00 C ATOM 485 OE1 GLN A 34 4.651 -13.461 0.350 1.00 1.00 O ATOM 486 NE2 GLN A 34 4.816 -13.056 2.503 1.00 1.00 N ATOM 0 H GLN A 34 2.322 -10.433 -1.008 1.00 1.00 H new ATOM 0 HA GLN A 34 1.963 -12.795 0.690 1.00 1.00 H new ATOM 0 HB2 GLN A 34 2.528 -9.869 1.395 1.00 1.00 H new ATOM 0 HB3 GLN A 34 2.615 -11.224 2.502 1.00 1.00 H new ATOM 0 HG2 GLN A 34 4.301 -10.978 -0.042 1.00 1.00 H new ATOM 0 HG3 GLN A 34 4.871 -10.540 1.556 1.00 1.00 H new ATOM 0 HE21 GLN A 34 4.753 -12.394 3.276 1.00 1.00 H new ATOM 0 HE22 GLN A 34 5.069 -14.028 2.683 1.00 1.00 H new ATOM 495 N PRO A 35 -0.502 -12.387 1.210 1.00 1.00 N ATOM 496 CA PRO A 35 -1.917 -12.144 1.640 1.00 1.00 C ATOM 497 C PRO A 35 -1.979 -11.356 2.955 1.00 1.00 C ATOM 498 O PRO A 35 -1.257 -11.664 3.902 1.00 1.00 O ATOM 499 CB PRO A 35 -2.501 -13.570 1.822 1.00 1.00 C ATOM 500 CG PRO A 35 -1.604 -14.466 1.024 1.00 1.00 C ATOM 501 CD PRO A 35 -0.223 -13.829 1.090 1.00 1.00 C ATOM 0 HA PRO A 35 -2.472 -11.547 0.917 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -2.513 -13.859 2.873 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -3.529 -13.623 1.465 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -1.590 -15.475 1.437 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -1.949 -14.548 -0.007 1.00 1.00 H new ATOM 0 HD2 PRO A 35 0.347 -14.198 1.943 1.00 1.00 H new ATOM 0 HD3 PRO A 35 0.362 -14.050 0.197 1.00 1.00 H new ATOM 509 N ILE A 36 -2.828 -10.329 2.994 1.00 1.00 N ATOM 510 CA ILE A 36 -2.967 -9.481 4.185 1.00 1.00 C ATOM 511 C ILE A 36 -4.217 -9.827 4.985 1.00 1.00 C ATOM 512 O ILE A 36 -5.344 -9.686 4.514 1.00 1.00 O ATOM 513 CB ILE A 36 -3.032 -8.012 3.762 1.00 1.00 C ATOM 514 CG1 ILE A 36 -1.840 -7.677 2.845 1.00 1.00 C ATOM 515 CG2 ILE A 36 -3.001 -7.106 4.999 1.00 1.00 C ATOM 516 CD1 ILE A 36 -0.496 -8.061 3.500 1.00 1.00 C ATOM 0 H ILE A 36 -3.431 -10.062 2.216 1.00 1.00 H new ATOM 0 HA ILE A 36 -2.099 -9.657 4.821 1.00 1.00 H new ATOM 0 HB ILE A 36 -3.962 -7.843 3.219 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -1.948 -8.206 1.898 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -1.843 -6.611 2.617 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -3.048 -6.063 4.687 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -3.855 -7.332 5.637 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -2.078 -7.278 5.553 1.00 1.00 H new ATOM 0 HD11 ILE A 36 0.322 -7.811 2.825 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -0.377 -7.512 4.434 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -0.483 -9.132 3.704 1.00 1.00 H new ATOM 528 N ASN A 37 -3.980 -10.282 6.213 1.00 1.00 N ATOM 529 CA ASN A 37 -5.061 -10.666 7.140 1.00 1.00 C ATOM 530 C ASN A 37 -5.213 -9.650 8.271 1.00 1.00 C ATOM 531 O ASN A 37 -6.282 -9.542 8.871 1.00 1.00 O ATOM 532 CB ASN A 37 -4.790 -12.049 7.740 1.00 1.00 C ATOM 533 CG ASN A 37 -3.455 -12.066 8.476 1.00 1.00 C ATOM 534 OD1 ASN A 37 -2.846 -11.018 8.689 1.00 1.00 O ATOM 535 ND2 ASN A 37 -2.962 -13.207 8.881 1.00 1.00 N ATOM 0 H ASN A 37 -3.043 -10.397 6.599 1.00 1.00 H new ATOM 0 HA ASN A 37 -5.987 -10.692 6.565 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -5.593 -12.316 8.427 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -4.784 -12.799 6.949 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -2.070 -13.230 9.375 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -3.469 -14.074 8.703 1.00 1.00 H new ATOM 542 N THR A 38 -4.144 -8.905 8.558 1.00 1.00 N ATOM 543 CA THR A 38 -4.169 -7.892 9.628 1.00 1.00 C ATOM 544 C THR A 38 -3.478 -6.611 9.186 1.00 1.00 C ATOM 545 O THR A 38 -2.603 -6.628 8.319 1.00 1.00 O ATOM 546 CB THR A 38 -3.449 -8.419 10.873 1.00 1.00 C ATOM 547 OG1 THR A 38 -2.106 -8.733 10.540 1.00 1.00 O ATOM 548 CG2 THR A 38 -4.148 -9.669 11.397 1.00 1.00 C ATOM 0 H THR A 38 -3.251 -8.979 8.070 1.00 1.00 H new ATOM 0 HA THR A 38 -5.214 -7.682 9.854 1.00 1.00 H new ATOM 0 HB THR A 38 -3.469 -7.652 11.647 1.00 1.00 H new ATOM 0 HG1 THR A 38 -2.090 -9.509 9.941 1.00 1.00 H new ATOM 0 HG21 THR A 38 -3.626 -10.034 12.282 1.00 1.00 H new ATOM 0 HG22 THR A 38 -5.179 -9.428 11.657 1.00 1.00 H new ATOM 0 HG23 THR A 38 -4.139 -10.441 10.627 1.00 1.00 H new ATOM 556 N SER A 39 -3.862 -5.504 9.811 1.00 1.00 N ATOM 557 CA SER A 39 -3.257 -4.216 9.507 1.00 1.00 C ATOM 558 C SER A 39 -1.811 -4.206 9.992 1.00 1.00 C ATOM 559 O SER A 39 -0.947 -3.569 9.395 1.00 1.00 O ATOM 560 CB SER A 39 -4.042 -3.096 10.191 1.00 1.00 C ATOM 561 OG SER A 39 -4.044 -3.315 11.596 1.00 1.00 O ATOM 0 H SER A 39 -4.587 -5.474 10.528 1.00 1.00 H new ATOM 0 HA SER A 39 -3.278 -4.054 8.429 1.00 1.00 H new ATOM 0 HB2 SER A 39 -3.593 -2.129 9.963 1.00 1.00 H new ATOM 0 HB3 SER A 39 -5.064 -3.070 9.814 1.00 1.00 H new ATOM 0 HG SER A 39 -4.545 -2.598 12.038 1.00 1.00 H new ATOM 567 N GLU A 40 -1.560 -4.918 11.090 1.00 1.00 N ATOM 568 CA GLU A 40 -0.225 -4.987 11.658 1.00 1.00 C ATOM 569 C GLU A 40 0.738 -5.620 10.665 1.00 1.00 C ATOM 570 O GLU A 40 1.925 -5.303 10.649 1.00 1.00 O ATOM 571 CB GLU A 40 -0.259 -5.820 12.948 1.00 1.00 C ATOM 572 CG GLU A 40 1.082 -5.709 13.687 1.00 1.00 C ATOM 573 CD GLU A 40 1.247 -4.312 14.284 1.00 1.00 C ATOM 574 OE1 GLU A 40 0.280 -3.566 14.277 1.00 1.00 O ATOM 575 OE2 GLU A 40 2.340 -4.005 14.733 1.00 1.00 O ATOM 0 H GLU A 40 -2.265 -5.452 11.599 1.00 1.00 H new ATOM 0 HA GLU A 40 0.117 -3.977 11.884 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -1.067 -5.473 13.592 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -0.466 -6.863 12.710 1.00 1.00 H new ATOM 0 HG2 GLU A 40 1.132 -6.458 14.478 1.00 1.00 H new ATOM 0 HG3 GLU A 40 1.902 -5.917 12.999 1.00 1.00 H new ATOM 582 N GLN A 41 0.225 -6.522 9.837 1.00 1.00 N ATOM 583 CA GLN A 41 1.069 -7.182 8.859 1.00 1.00 C ATOM 584 C GLN A 41 1.647 -6.153 7.891 1.00 1.00 C ATOM 585 O GLN A 41 2.749 -6.326 7.372 1.00 1.00 O ATOM 586 CB GLN A 41 0.252 -8.250 8.098 1.00 1.00 C ATOM 587 CG GLN A 41 1.166 -9.372 7.584 1.00 1.00 C ATOM 588 CD GLN A 41 2.154 -8.807 6.569 1.00 1.00 C ATOM 589 OE1 GLN A 41 1.748 -8.179 5.593 1.00 1.00 O ATOM 590 NE2 GLN A 41 3.433 -8.987 6.747 1.00 1.00 N ATOM 0 H GLN A 41 -0.754 -6.807 9.825 1.00 1.00 H new ATOM 0 HA GLN A 41 1.895 -7.676 9.370 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -0.510 -8.668 8.756 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -0.269 -7.787 7.260 1.00 1.00 H new ATOM 0 HG2 GLN A 41 1.704 -9.825 8.416 1.00 1.00 H new ATOM 0 HG3 GLN A 41 0.568 -10.159 7.125 1.00 1.00 H new ATOM 0 HE21 GLN A 41 3.767 -9.508 7.558 1.00 1.00 H new ATOM 0 HE22 GLN A 41 4.100 -8.606 6.076 1.00 1.00 H new ATOM 599 N ILE A 42 0.905 -5.072 7.658 1.00 1.00 N ATOM 600 CA ILE A 42 1.358 -4.021 6.759 1.00 1.00 C ATOM 601 C ILE A 42 2.495 -3.235 7.388 1.00 1.00 C ATOM 602 O ILE A 42 3.358 -2.709 6.685 1.00 1.00 O ATOM 603 CB ILE A 42 0.190 -3.076 6.440 1.00 1.00 C ATOM 604 CG1 ILE A 42 -0.968 -3.876 5.809 1.00 1.00 C ATOM 605 CG2 ILE A 42 0.646 -1.974 5.475 1.00 1.00 C ATOM 606 CD1 ILE A 42 -0.529 -4.547 4.492 1.00 1.00 C ATOM 0 H ILE A 42 -0.009 -4.904 8.079 1.00 1.00 H new ATOM 0 HA ILE A 42 1.719 -4.480 5.838 1.00 1.00 H new ATOM 0 HB ILE A 42 -0.152 -2.613 7.365 1.00 1.00 H new ATOM 0 HG12 ILE A 42 -1.313 -4.636 6.510 1.00 1.00 H new ATOM 0 HG13 ILE A 42 -1.811 -3.212 5.619 1.00 1.00 H new ATOM 0 HG21 ILE A 42 -0.192 -1.311 5.257 1.00 1.00 H new ATOM 0 HG22 ILE A 42 1.453 -1.401 5.932 1.00 1.00 H new ATOM 0 HG23 ILE A 42 1.001 -2.426 4.549 1.00 1.00 H new ATOM 0 HD11 ILE A 42 -1.366 -5.104 4.071 1.00 1.00 H new ATOM 0 HD12 ILE A 42 -0.208 -3.783 3.784 1.00 1.00 H new ATOM 0 HD13 ILE A 42 0.298 -5.229 4.689 1.00 1.00 H new ATOM 618 N VAL A 43 2.496 -3.154 8.714 1.00 1.00 N ATOM 619 CA VAL A 43 3.536 -2.425 9.426 1.00 1.00 C ATOM 620 C VAL A 43 4.880 -3.123 9.257 1.00 1.00 C ATOM 621 O VAL A 43 5.895 -2.476 9.002 1.00 1.00 O ATOM 622 CB VAL A 43 3.176 -2.347 10.915 1.00 1.00 C ATOM 623 CG1 VAL A 43 4.257 -1.575 11.682 1.00 1.00 C ATOM 624 CG2 VAL A 43 1.829 -1.634 11.076 1.00 1.00 C ATOM 0 H VAL A 43 1.791 -3.582 9.314 1.00 1.00 H new ATOM 0 HA VAL A 43 3.610 -1.418 9.015 1.00 1.00 H new ATOM 0 HB VAL A 43 3.109 -3.358 11.318 1.00 1.00 H new ATOM 0 HG11 VAL A 43 3.990 -1.527 12.738 1.00 1.00 H new ATOM 0 HG12 VAL A 43 5.214 -2.084 11.573 1.00 1.00 H new ATOM 0 HG13 VAL A 43 4.336 -0.564 11.281 1.00 1.00 H new ATOM 0 HG21 VAL A 43 1.571 -1.578 12.134 1.00 1.00 H new ATOM 0 HG22 VAL A 43 1.899 -0.627 10.665 1.00 1.00 H new ATOM 0 HG23 VAL A 43 1.057 -2.190 10.544 1.00 1.00 H new ATOM 634 N SER A 44 4.879 -4.446 9.381 1.00 1.00 N ATOM 635 CA SER A 44 6.108 -5.213 9.219 1.00 1.00 C ATOM 636 C SER A 44 6.607 -5.095 7.780 1.00 1.00 C ATOM 637 O SER A 44 7.806 -4.946 7.535 1.00 1.00 O ATOM 638 CB SER A 44 5.864 -6.684 9.569 1.00 1.00 C ATOM 639 OG SER A 44 7.079 -7.410 9.436 1.00 1.00 O ATOM 0 H SER A 44 4.051 -5.004 9.591 1.00 1.00 H new ATOM 0 HA SER A 44 6.865 -4.813 9.894 1.00 1.00 H new ATOM 0 HB2 SER A 44 5.487 -6.769 10.588 1.00 1.00 H new ATOM 0 HB3 SER A 44 5.103 -7.104 8.911 1.00 1.00 H new ATOM 0 HG SER A 44 6.924 -8.351 9.661 1.00 1.00 H new ATOM 645 N TYR A 45 5.674 -5.184 6.835 1.00 1.00 N ATOM 646 CA TYR A 45 6.022 -5.108 5.416 1.00 1.00 C ATOM 647 C TYR A 45 6.747 -3.790 5.115 1.00 1.00 C ATOM 648 O TYR A 45 7.865 -3.797 4.608 1.00 1.00 O ATOM 649 CB TYR A 45 4.741 -5.234 4.582 1.00 1.00 C ATOM 650 CG TYR A 45 5.071 -5.257 3.103 1.00 1.00 C ATOM 651 CD1 TYR A 45 5.777 -6.342 2.566 1.00 1.00 C ATOM 652 CD2 TYR A 45 4.664 -4.208 2.264 1.00 1.00 C ATOM 653 CE1 TYR A 45 6.074 -6.379 1.200 1.00 1.00 C ATOM 654 CE2 TYR A 45 4.963 -4.247 0.904 1.00 1.00 C ATOM 655 CZ TYR A 45 5.667 -5.329 0.369 1.00 1.00 C ATOM 656 OH TYR A 45 5.960 -5.362 -0.978 1.00 1.00 O ATOM 0 H TYR A 45 4.679 -5.308 7.022 1.00 1.00 H new ATOM 0 HA TYR A 45 6.697 -5.924 5.157 1.00 1.00 H new ATOM 0 HB2 TYR A 45 4.210 -6.145 4.856 1.00 1.00 H new ATOM 0 HB3 TYR A 45 4.075 -4.399 4.799 1.00 1.00 H new ATOM 0 HD1 TYR A 45 6.092 -7.151 3.208 1.00 1.00 H new ATOM 0 HD2 TYR A 45 4.119 -3.370 2.673 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.617 -7.216 0.787 1.00 1.00 H new ATOM 0 HE2 TYR A 45 4.650 -3.438 0.261 1.00 1.00 H new ATOM 0 HH TYR A 45 6.646 -6.041 -1.147 1.00 1.00 H new ATOM 666 N VAL A 46 6.117 -2.661 5.421 1.00 1.00 N ATOM 667 CA VAL A 46 6.734 -1.362 5.169 1.00 1.00 C ATOM 668 C VAL A 46 8.117 -1.311 5.827 1.00 1.00 C ATOM 669 O VAL A 46 9.070 -0.788 5.247 1.00 1.00 O ATOM 670 CB VAL A 46 5.823 -0.246 5.726 1.00 1.00 C ATOM 671 CG1 VAL A 46 6.560 1.101 5.733 1.00 1.00 C ATOM 672 CG2 VAL A 46 4.566 -0.126 4.854 1.00 1.00 C ATOM 0 H VAL A 46 5.188 -2.617 5.840 1.00 1.00 H new ATOM 0 HA VAL A 46 6.856 -1.213 4.096 1.00 1.00 H new ATOM 0 HB VAL A 46 5.546 -0.504 6.748 1.00 1.00 H new ATOM 0 HG11 VAL A 46 5.901 1.874 6.129 1.00 1.00 H new ATOM 0 HG12 VAL A 46 7.449 1.026 6.359 1.00 1.00 H new ATOM 0 HG13 VAL A 46 6.854 1.360 4.716 1.00 1.00 H new ATOM 0 HG21 VAL A 46 3.924 0.662 5.248 1.00 1.00 H new ATOM 0 HG22 VAL A 46 4.854 0.118 3.832 1.00 1.00 H new ATOM 0 HG23 VAL A 46 4.026 -1.073 4.862 1.00 1.00 H new ATOM 682 N ARG A 47 8.218 -1.849 7.034 1.00 1.00 N ATOM 683 CA ARG A 47 9.485 -1.857 7.756 1.00 1.00 C ATOM 684 C ARG A 47 10.515 -2.737 7.043 1.00 1.00 C ATOM 685 O ARG A 47 11.718 -2.589 7.259 1.00 1.00 O ATOM 686 CB ARG A 47 9.258 -2.362 9.192 1.00 1.00 C ATOM 687 CG ARG A 47 8.454 -1.309 10.026 1.00 1.00 C ATOM 688 CD ARG A 47 9.414 -0.443 10.854 1.00 1.00 C ATOM 689 NE ARG A 47 10.315 0.264 9.946 1.00 1.00 N ATOM 690 CZ ARG A 47 11.556 0.604 10.290 1.00 1.00 C ATOM 691 NH1 ARG A 47 12.014 0.328 11.481 1.00 1.00 N ATOM 692 NH2 ARG A 47 12.314 1.211 9.424 1.00 1.00 N ATOM 0 H ARG A 47 7.442 -2.284 7.533 1.00 1.00 H new ATOM 0 HA ARG A 47 9.874 -0.839 7.788 1.00 1.00 H new ATOM 0 HB2 ARG A 47 8.715 -3.307 9.169 1.00 1.00 H new ATOM 0 HB3 ARG A 47 10.218 -2.557 9.671 1.00 1.00 H new ATOM 0 HG2 ARG A 47 7.867 -0.678 9.359 1.00 1.00 H new ATOM 0 HG3 ARG A 47 7.750 -1.817 10.685 1.00 1.00 H new ATOM 0 HD2 ARG A 47 8.853 0.269 11.459 1.00 1.00 H new ATOM 0 HD3 ARG A 47 9.985 -1.066 11.543 1.00 1.00 H new ATOM 0 HE ARG A 47 9.981 0.506 9.013 1.00 1.00 H new ATOM 0 HH11 ARG A 47 11.420 -0.152 12.157 1.00 1.00 H new ATOM 0 HH12 ARG A 47 12.966 0.592 11.735 1.00 1.00 H new ATOM 0 HH21 ARG A 47 11.956 1.422 8.492 1.00 1.00 H new ATOM 0 HH22 ARG A 47 13.266 1.476 9.677 1.00 1.00 H new ATOM 706 N GLU A 48 10.043 -3.653 6.201 1.00 1.00 N ATOM 707 CA GLU A 48 10.950 -4.543 5.479 1.00 1.00 C ATOM 708 C GLU A 48 11.868 -3.725 4.575 1.00 1.00 C ATOM 709 O GLU A 48 13.092 -3.815 4.668 1.00 1.00 O ATOM 710 CB GLU A 48 10.148 -5.543 4.623 1.00 1.00 C ATOM 711 CG GLU A 48 11.070 -6.645 4.078 1.00 1.00 C ATOM 712 CD GLU A 48 11.527 -7.571 5.203 1.00 1.00 C ATOM 713 OE1 GLU A 48 11.015 -7.437 6.303 1.00 1.00 O ATOM 714 OE2 GLU A 48 12.377 -8.404 4.945 1.00 1.00 O ATOM 0 H GLU A 48 9.053 -3.798 6.003 1.00 1.00 H new ATOM 0 HA GLU A 48 11.549 -5.094 6.205 1.00 1.00 H new ATOM 0 HB2 GLU A 48 9.354 -5.988 5.222 1.00 1.00 H new ATOM 0 HB3 GLU A 48 9.668 -5.020 3.796 1.00 1.00 H new ATOM 0 HG2 GLU A 48 10.545 -7.221 3.316 1.00 1.00 H new ATOM 0 HG3 GLU A 48 11.938 -6.195 3.596 1.00 1.00 H new ATOM 721 N LYS A 49 11.259 -2.925 3.696 1.00 1.00 N ATOM 722 CA LYS A 49 12.010 -2.088 2.758 1.00 1.00 C ATOM 723 C LYS A 49 12.287 -0.714 3.355 1.00 1.00 C ATOM 724 O LYS A 49 12.190 -0.523 4.568 1.00 1.00 O ATOM 725 CB LYS A 49 11.227 -1.946 1.447 1.00 1.00 C ATOM 726 CG LYS A 49 11.034 -3.350 0.780 1.00 1.00 C ATOM 727 CD LYS A 49 9.564 -3.751 0.824 1.00 1.00 C ATOM 728 CE LYS A 49 9.394 -5.166 0.274 1.00 1.00 C ATOM 729 NZ LYS A 49 10.095 -6.137 1.161 1.00 1.00 N ATOM 0 H LYS A 49 10.246 -2.840 3.615 1.00 1.00 H new ATOM 0 HA LYS A 49 12.967 -2.569 2.556 1.00 1.00 H new ATOM 0 HB2 LYS A 49 10.256 -1.491 1.642 1.00 1.00 H new ATOM 0 HB3 LYS A 49 11.760 -1.282 0.766 1.00 1.00 H new ATOM 0 HG2 LYS A 49 11.381 -3.322 -0.253 1.00 1.00 H new ATOM 0 HG3 LYS A 49 11.638 -4.094 1.299 1.00 1.00 H new ATOM 0 HD2 LYS A 49 9.196 -3.703 1.849 1.00 1.00 H new ATOM 0 HD3 LYS A 49 8.969 -3.050 0.238 1.00 1.00 H new ATOM 0 HE2 LYS A 49 8.335 -5.417 0.209 1.00 1.00 H new ATOM 0 HE3 LYS A 49 9.798 -5.225 -0.737 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 10.755 -6.709 0.596 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 10.623 -5.620 1.893 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 9.397 -6.761 1.614 1.00 1.00 H new ATOM 743 N GLN A 50 12.652 0.244 2.496 1.00 1.00 N ATOM 744 CA GLN A 50 12.965 1.606 2.946 1.00 1.00 C ATOM 745 C GLN A 50 12.445 2.649 1.962 1.00 1.00 C ATOM 746 O GLN A 50 11.712 2.325 1.026 1.00 1.00 O ATOM 747 CB GLN A 50 14.480 1.760 3.120 1.00 1.00 C ATOM 748 CG GLN A 50 15.198 1.445 1.804 1.00 1.00 C ATOM 749 CD GLN A 50 16.709 1.508 2.007 1.00 1.00 C ATOM 750 OE1 GLN A 50 17.277 2.597 2.111 1.00 1.00 O ATOM 751 NE2 GLN A 50 17.402 0.402 2.068 1.00 1.00 N ATOM 0 H GLN A 50 12.738 0.103 1.489 1.00 1.00 H new ATOM 0 HA GLN A 50 12.469 1.770 3.903 1.00 1.00 H new ATOM 0 HB2 GLN A 50 14.716 2.776 3.437 1.00 1.00 H new ATOM 0 HB3 GLN A 50 14.833 1.091 3.905 1.00 1.00 H new ATOM 0 HG2 GLN A 50 14.911 0.454 1.451 1.00 1.00 H new ATOM 0 HG3 GLN A 50 14.896 2.157 1.036 1.00 1.00 H new ATOM 0 HE21 GLN A 50 16.932 -0.499 1.982 1.00 1.00 H new ATOM 0 HE22 GLN A 50 18.412 0.440 2.202 1.00 1.00 H new ATOM 760 N ALA A 51 12.825 3.903 2.186 1.00 1.00 N ATOM 761 CA ALA A 51 12.390 4.993 1.323 1.00 1.00 C ATOM 762 C ALA A 51 12.979 4.824 -0.074 1.00 1.00 C ATOM 763 O ALA A 51 14.164 4.533 -0.224 1.00 1.00 O ATOM 764 CB ALA A 51 12.847 6.336 1.920 1.00 1.00 C ATOM 0 H ALA A 51 13.431 4.188 2.955 1.00 1.00 H new ATOM 0 HA ALA A 51 11.302 4.978 1.252 1.00 1.00 H new ATOM 0 HB1 ALA A 51 12.521 7.151 1.274 1.00 1.00 H new ATOM 0 HB2 ALA A 51 12.410 6.461 2.911 1.00 1.00 H new ATOM 0 HB3 ALA A 51 13.934 6.348 1.999 1.00 1.00 H new ATOM 770 N GLY A 52 12.140 5.009 -1.098 1.00 1.00 N ATOM 771 CA GLY A 52 12.582 4.880 -2.489 1.00 1.00 C ATOM 772 C GLY A 52 12.281 3.486 -3.029 1.00 1.00 C ATOM 773 O GLY A 52 12.555 3.193 -4.193 1.00 1.00 O ATOM 0 H GLY A 52 11.154 5.248 -0.990 1.00 1.00 H new ATOM 0 HA2 GLY A 52 12.082 5.628 -3.104 1.00 1.00 H new ATOM 0 HA3 GLY A 52 13.652 5.076 -2.554 1.00 1.00 H new ATOM 777 N ASP A 53 11.716 2.624 -2.181 1.00 1.00 N ATOM 778 CA ASP A 53 11.383 1.256 -2.589 1.00 1.00 C ATOM 779 C ASP A 53 10.086 1.223 -3.387 1.00 1.00 C ATOM 780 O ASP A 53 9.290 2.155 -3.332 1.00 1.00 O ATOM 781 CB ASP A 53 11.241 0.372 -1.355 1.00 1.00 C ATOM 782 CG ASP A 53 11.051 -1.082 -1.774 1.00 1.00 C ATOM 783 OD1 ASP A 53 11.932 -1.606 -2.437 1.00 1.00 O ATOM 784 OD2 ASP A 53 10.033 -1.650 -1.424 1.00 1.00 O ATOM 0 H ASP A 53 11.480 2.846 -1.214 1.00 1.00 H new ATOM 0 HA ASP A 53 12.188 0.884 -3.222 1.00 1.00 H new ATOM 0 HB2 ASP A 53 12.127 0.465 -0.727 1.00 1.00 H new ATOM 0 HB3 ASP A 53 10.391 0.701 -0.758 1.00 1.00 H new ATOM 789 N ARG A 54 9.880 0.127 -4.120 1.00 1.00 N ATOM 790 CA ARG A 54 8.678 -0.058 -4.942 1.00 1.00 C ATOM 791 C ARG A 54 8.035 -1.394 -4.598 1.00 1.00 C ATOM 792 O ARG A 54 8.672 -2.442 -4.702 1.00 1.00 O ATOM 793 CB ARG A 54 9.065 -0.052 -6.423 1.00 1.00 C ATOM 794 CG ARG A 54 7.809 -0.100 -7.296 1.00 1.00 C ATOM 795 CD ARG A 54 8.204 -0.125 -8.775 1.00 1.00 C ATOM 796 NE ARG A 54 8.869 -1.383 -9.086 1.00 1.00 N ATOM 797 CZ ARG A 54 9.337 -1.637 -10.304 1.00 1.00 C ATOM 798 NH1 ARG A 54 9.203 -0.753 -11.259 1.00 1.00 N ATOM 799 NH2 ARG A 54 9.927 -2.774 -10.546 1.00 1.00 N ATOM 0 H ARG A 54 10.535 -0.653 -4.162 1.00 1.00 H new ATOM 0 HA ARG A 54 7.975 0.752 -4.745 1.00 1.00 H new ATOM 0 HB2 ARG A 54 9.642 0.844 -6.652 1.00 1.00 H new ATOM 0 HB3 ARG A 54 9.703 -0.908 -6.643 1.00 1.00 H new ATOM 0 HG2 ARG A 54 7.220 -0.984 -7.053 1.00 1.00 H new ATOM 0 HG3 ARG A 54 7.181 0.767 -7.093 1.00 1.00 H new ATOM 0 HD2 ARG A 54 7.319 -0.007 -9.400 1.00 1.00 H new ATOM 0 HD3 ARG A 54 8.866 0.712 -8.999 1.00 1.00 H new ATOM 0 HE ARG A 54 8.978 -2.084 -8.353 1.00 1.00 H new ATOM 0 HH11 ARG A 54 8.738 0.135 -11.070 1.00 1.00 H new ATOM 0 HH12 ARG A 54 9.564 -0.952 -12.192 1.00 1.00 H new ATOM 0 HH21 ARG A 54 10.028 -3.465 -9.802 1.00 1.00 H new ATOM 0 HH22 ARG A 54 10.288 -2.973 -11.479 1.00 1.00 H new ATOM 813 N VAL A 55 6.773 -1.340 -4.185 1.00 1.00 N ATOM 814 CA VAL A 55 6.020 -2.548 -3.809 1.00 1.00 C ATOM 815 C VAL A 55 4.731 -2.682 -4.622 1.00 1.00 C ATOM 816 O VAL A 55 3.954 -1.741 -4.771 1.00 1.00 O ATOM 817 CB VAL A 55 5.700 -2.523 -2.306 1.00 1.00 C ATOM 818 CG1 VAL A 55 6.991 -2.703 -1.504 1.00 1.00 C ATOM 819 CG2 VAL A 55 5.069 -1.185 -1.934 1.00 1.00 C ATOM 0 H VAL A 55 6.242 -0.473 -4.099 1.00 1.00 H new ATOM 0 HA VAL A 55 6.644 -3.414 -4.030 1.00 1.00 H new ATOM 0 HB VAL A 55 5.006 -3.332 -2.077 1.00 1.00 H new ATOM 0 HG11 VAL A 55 6.763 -2.685 -0.438 1.00 1.00 H new ATOM 0 HG12 VAL A 55 7.449 -3.658 -1.761 1.00 1.00 H new ATOM 0 HG13 VAL A 55 7.682 -1.894 -1.741 1.00 1.00 H new ATOM 0 HG21 VAL A 55 4.844 -1.173 -0.868 1.00 1.00 H new ATOM 0 HG22 VAL A 55 5.763 -0.378 -2.168 1.00 1.00 H new ATOM 0 HG23 VAL A 55 4.148 -1.047 -2.501 1.00 1.00 H new ATOM 829 N ARG A 56 4.528 -3.889 -5.132 1.00 1.00 N ATOM 830 CA ARG A 56 3.348 -4.216 -5.931 1.00 1.00 C ATOM 831 C ARG A 56 2.198 -4.554 -5.000 1.00 1.00 C ATOM 832 O ARG A 56 2.270 -5.515 -4.237 1.00 1.00 O ATOM 833 CB ARG A 56 3.653 -5.415 -6.843 1.00 1.00 C ATOM 834 CG ARG A 56 4.991 -5.198 -7.566 1.00 1.00 C ATOM 835 CD ARG A 56 4.940 -3.916 -8.411 1.00 1.00 C ATOM 836 NE ARG A 56 3.672 -3.835 -9.128 1.00 1.00 N ATOM 837 CZ ARG A 56 3.442 -4.553 -10.223 1.00 1.00 C ATOM 838 NH1 ARG A 56 4.361 -5.362 -10.683 1.00 1.00 N ATOM 839 NH2 ARG A 56 2.295 -4.454 -10.832 1.00 1.00 N ATOM 0 H ARG A 56 5.173 -4.669 -5.006 1.00 1.00 H new ATOM 0 HA ARG A 56 3.076 -3.362 -6.552 1.00 1.00 H new ATOM 0 HB2 ARG A 56 3.693 -6.330 -6.253 1.00 1.00 H new ATOM 0 HB3 ARG A 56 2.852 -5.541 -7.572 1.00 1.00 H new ATOM 0 HG2 ARG A 56 5.799 -5.129 -6.837 1.00 1.00 H new ATOM 0 HG3 ARG A 56 5.210 -6.054 -8.205 1.00 1.00 H new ATOM 0 HD2 ARG A 56 5.059 -3.043 -7.769 1.00 1.00 H new ATOM 0 HD3 ARG A 56 5.768 -3.906 -9.120 1.00 1.00 H new ATOM 0 HE ARG A 56 2.943 -3.212 -8.780 1.00 1.00 H new ATOM 0 HH11 ARG A 56 5.256 -5.443 -10.201 1.00 1.00 H new ATOM 0 HH12 ARG A 56 4.182 -5.912 -11.523 1.00 1.00 H new ATOM 0 HH21 ARG A 56 1.577 -3.827 -10.469 1.00 1.00 H new ATOM 0 HH22 ARG A 56 2.115 -5.003 -11.672 1.00 1.00 H new ATOM 853 N VAL A 57 1.146 -3.736 -5.050 1.00 1.00 N ATOM 854 CA VAL A 57 -0.024 -3.934 -4.177 1.00 1.00 C ATOM 855 C VAL A 57 -1.215 -4.458 -4.972 1.00 1.00 C ATOM 856 O VAL A 57 -1.562 -3.912 -6.003 1.00 1.00 O ATOM 857 CB VAL A 57 -0.392 -2.601 -3.503 1.00 1.00 C ATOM 858 CG1 VAL A 57 -1.718 -2.745 -2.724 1.00 1.00 C ATOM 859 CG2 VAL A 57 0.734 -2.200 -2.540 1.00 1.00 C ATOM 0 H VAL A 57 1.075 -2.935 -5.678 1.00 1.00 H new ATOM 0 HA VAL A 57 0.230 -4.673 -3.417 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.518 -1.833 -4.266 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.967 -1.795 -2.252 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.515 -3.029 -3.411 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.609 -3.513 -1.958 1.00 1.00 H new ATOM 0 HG21 VAL A 57 0.481 -1.256 -2.058 1.00 1.00 H new ATOM 0 HG22 VAL A 57 0.857 -2.973 -1.782 1.00 1.00 H new ATOM 0 HG23 VAL A 57 1.665 -2.086 -3.096 1.00 1.00 H new ATOM 869 N THR A 58 -1.847 -5.517 -4.462 1.00 1.00 N ATOM 870 CA THR A 58 -3.018 -6.116 -5.120 1.00 1.00 C ATOM 871 C THR A 58 -4.297 -5.668 -4.418 1.00 1.00 C ATOM 872 O THR A 58 -4.380 -5.704 -3.190 1.00 1.00 O ATOM 873 CB THR A 58 -2.917 -7.647 -5.054 1.00 1.00 C ATOM 874 OG1 THR A 58 -1.648 -8.055 -5.542 1.00 1.00 O ATOM 875 CG2 THR A 58 -4.016 -8.276 -5.910 1.00 1.00 C ATOM 0 H THR A 58 -1.570 -5.980 -3.596 1.00 1.00 H new ATOM 0 HA THR A 58 -3.044 -5.792 -6.160 1.00 1.00 H new ATOM 0 HB THR A 58 -3.036 -7.972 -4.021 1.00 1.00 H new ATOM 0 HG1 THR A 58 -1.580 -9.032 -5.500 1.00 1.00 H new ATOM 0 HG21 THR A 58 -3.940 -9.362 -5.860 1.00 1.00 H new ATOM 0 HG22 THR A 58 -4.991 -7.963 -5.537 1.00 1.00 H new ATOM 0 HG23 THR A 58 -3.902 -7.952 -6.944 1.00 1.00 H new ATOM 883 N PHE A 59 -5.299 -5.250 -5.197 1.00 1.00 N ATOM 884 CA PHE A 59 -6.578 -4.810 -4.619 1.00 1.00 C ATOM 885 C PHE A 59 -7.726 -5.144 -5.571 1.00 1.00 C ATOM 886 O PHE A 59 -7.519 -5.216 -6.781 1.00 1.00 O ATOM 887 CB PHE A 59 -6.549 -3.296 -4.356 1.00 1.00 C ATOM 888 CG PHE A 59 -6.644 -2.520 -5.665 1.00 1.00 C ATOM 889 CD1 PHE A 59 -7.907 -2.198 -6.195 1.00 1.00 C ATOM 890 CD2 PHE A 59 -5.485 -2.113 -6.339 1.00 1.00 C ATOM 891 CE1 PHE A 59 -8.004 -1.475 -7.384 1.00 1.00 C ATOM 892 CE2 PHE A 59 -5.589 -1.392 -7.535 1.00 1.00 C ATOM 893 CZ PHE A 59 -6.847 -1.072 -8.055 1.00 1.00 C ATOM 0 H PHE A 59 -5.254 -5.206 -6.215 1.00 1.00 H new ATOM 0 HA PHE A 59 -6.731 -5.332 -3.675 1.00 1.00 H new ATOM 0 HB2 PHE A 59 -7.376 -3.019 -3.703 1.00 1.00 H new ATOM 0 HB3 PHE A 59 -5.629 -3.030 -3.836 1.00 1.00 H new ATOM 0 HD1 PHE A 59 -8.803 -2.511 -5.680 1.00 1.00 H new ATOM 0 HD2 PHE A 59 -4.512 -2.355 -5.937 1.00 1.00 H new ATOM 0 HE1 PHE A 59 -8.975 -1.226 -7.786 1.00 1.00 H new ATOM 0 HE2 PHE A 59 -4.696 -1.082 -8.057 1.00 1.00 H new ATOM 0 HZ PHE A 59 -6.924 -0.513 -8.976 1.00 1.00 H new ATOM 903 N ILE A 60 -8.935 -5.354 -5.027 1.00 1.00 N ATOM 904 CA ILE A 60 -10.114 -5.692 -5.840 1.00 1.00 C ATOM 905 C ILE A 60 -11.099 -4.528 -5.869 1.00 1.00 C ATOM 906 O ILE A 60 -11.357 -3.880 -4.853 1.00 1.00 O ATOM 907 CB ILE A 60 -10.796 -6.974 -5.269 1.00 1.00 C ATOM 908 CG1 ILE A 60 -10.148 -8.226 -5.898 1.00 1.00 C ATOM 909 CG2 ILE A 60 -12.310 -6.991 -5.580 1.00 1.00 C ATOM 910 CD1 ILE A 60 -8.626 -8.219 -5.669 1.00 1.00 C ATOM 0 H ILE A 60 -9.122 -5.296 -4.026 1.00 1.00 H new ATOM 0 HA ILE A 60 -9.793 -5.887 -6.863 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.660 -6.974 -4.188 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -10.583 -9.125 -5.462 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -10.361 -8.255 -6.967 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -12.756 -7.897 -5.169 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.783 -6.118 -5.131 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -12.460 -6.970 -6.659 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -8.186 -9.109 -6.119 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.193 -7.329 -6.127 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.419 -8.214 -4.599 1.00 1.00 H new ATOM 922 N ARG A 61 -11.667 -4.303 -7.055 1.00 1.00 N ATOM 923 CA ARG A 61 -12.658 -3.252 -7.255 1.00 1.00 C ATOM 924 C ARG A 61 -13.743 -3.725 -8.240 1.00 1.00 C ATOM 925 O ARG A 61 -13.458 -4.075 -9.381 1.00 1.00 O ATOM 926 CB ARG A 61 -11.950 -1.995 -7.770 1.00 1.00 C ATOM 927 CG ARG A 61 -12.977 -0.897 -8.053 1.00 1.00 C ATOM 928 CD ARG A 61 -12.268 0.407 -8.407 1.00 1.00 C ATOM 929 NE ARG A 61 -13.271 1.431 -8.666 1.00 1.00 N ATOM 930 CZ ARG A 61 -12.970 2.582 -9.255 1.00 1.00 C ATOM 931 NH1 ARG A 61 -11.743 2.842 -9.618 1.00 1.00 N ATOM 932 NH2 ARG A 61 -13.913 3.455 -9.469 1.00 1.00 N ATOM 0 H ARG A 61 -11.454 -4.841 -7.895 1.00 1.00 H new ATOM 0 HA ARG A 61 -13.150 -3.019 -6.311 1.00 1.00 H new ATOM 0 HB2 ARG A 61 -11.227 -1.647 -7.033 1.00 1.00 H new ATOM 0 HB3 ARG A 61 -11.393 -2.227 -8.678 1.00 1.00 H new ATOM 0 HG2 ARG A 61 -13.628 -1.200 -8.873 1.00 1.00 H new ATOM 0 HG3 ARG A 61 -13.612 -0.749 -7.180 1.00 1.00 H new ATOM 0 HD2 ARG A 61 -11.616 0.716 -7.590 1.00 1.00 H new ATOM 0 HD3 ARG A 61 -11.636 0.267 -9.284 1.00 1.00 H new ATOM 0 HE ARG A 61 -14.236 1.258 -8.386 1.00 1.00 H new ATOM 0 HH11 ARG A 61 -11.006 2.158 -9.450 1.00 1.00 H new ATOM 0 HH12 ARG A 61 -11.522 3.729 -10.070 1.00 1.00 H new ATOM 0 HH21 ARG A 61 -14.871 3.251 -9.185 1.00 1.00 H new ATOM 0 HH22 ARG A 61 -13.693 4.343 -9.921 1.00 1.00 H new ATOM 946 N ASP A 62 -14.989 -3.711 -7.773 1.00 1.00 N ATOM 947 CA ASP A 62 -16.132 -4.117 -8.600 1.00 1.00 C ATOM 948 C ASP A 62 -15.896 -5.492 -9.215 1.00 1.00 C ATOM 949 O ASP A 62 -16.223 -5.706 -10.378 1.00 1.00 O ATOM 950 CB ASP A 62 -16.362 -3.098 -9.731 1.00 1.00 C ATOM 951 CG ASP A 62 -16.875 -1.778 -9.169 1.00 1.00 C ATOM 952 OD1 ASP A 62 -17.214 -1.744 -7.997 1.00 1.00 O ATOM 953 OD2 ASP A 62 -16.929 -0.818 -9.922 1.00 1.00 O ATOM 0 H ASP A 62 -15.237 -3.423 -6.826 1.00 1.00 H new ATOM 0 HA ASP A 62 -17.011 -4.158 -7.956 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -15.431 -2.931 -10.272 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -17.080 -3.498 -10.447 1.00 1.00 H new ATOM 958 N ARG A 63 -15.330 -6.410 -8.433 1.00 1.00 N ATOM 959 CA ARG A 63 -15.046 -7.766 -8.891 1.00 1.00 C ATOM 960 C ARG A 63 -13.929 -7.779 -9.932 1.00 1.00 C ATOM 961 O ARG A 63 -13.711 -8.789 -10.601 1.00 1.00 O ATOM 962 CB ARG A 63 -16.301 -8.430 -9.467 1.00 1.00 C ATOM 963 CG ARG A 63 -17.412 -8.450 -8.416 1.00 1.00 C ATOM 964 CD ARG A 63 -18.688 -9.018 -9.043 1.00 1.00 C ATOM 965 NE ARG A 63 -18.481 -10.417 -9.394 1.00 1.00 N ATOM 966 CZ ARG A 63 -19.386 -11.098 -10.090 1.00 1.00 C ATOM 967 NH1 ARG A 63 -20.492 -10.519 -10.473 1.00 1.00 N ATOM 968 NH2 ARG A 63 -19.165 -12.347 -10.392 1.00 1.00 N ATOM 0 H ARG A 63 -15.056 -6.234 -7.466 1.00 1.00 H new ATOM 0 HA ARG A 63 -14.716 -8.335 -8.022 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.636 -7.888 -10.352 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -16.071 -9.447 -9.784 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -17.111 -9.057 -7.562 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -17.594 -7.442 -8.042 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -19.520 -8.927 -8.344 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -18.954 -8.446 -9.932 1.00 1.00 H new ATOM 0 HE ARG A 63 -17.623 -10.884 -9.099 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -20.664 -9.541 -10.238 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -21.184 -11.044 -11.007 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -18.300 -12.798 -10.094 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -19.857 -12.873 -10.926 1.00 1.00 H new ATOM 982 N LYS A 64 -13.212 -6.652 -10.057 1.00 1.00 N ATOM 983 CA LYS A 64 -12.094 -6.534 -11.007 1.00 1.00 C ATOM 984 C LYS A 64 -10.780 -6.363 -10.245 1.00 1.00 C ATOM 985 O LYS A 64 -10.534 -5.320 -9.643 1.00 1.00 O ATOM 986 CB LYS A 64 -12.300 -5.324 -11.934 1.00 1.00 C ATOM 987 CG LYS A 64 -13.696 -5.371 -12.563 1.00 1.00 C ATOM 988 CD LYS A 64 -13.806 -4.324 -13.681 1.00 1.00 C ATOM 989 CE LYS A 64 -13.556 -2.904 -13.131 1.00 1.00 C ATOM 990 NZ LYS A 64 -12.090 -2.647 -13.066 1.00 1.00 N ATOM 0 H LYS A 64 -13.386 -5.808 -9.512 1.00 1.00 H new ATOM 0 HA LYS A 64 -12.056 -7.443 -11.608 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -12.178 -4.399 -11.370 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -11.541 -5.322 -12.716 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -13.889 -6.366 -12.965 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -14.453 -5.183 -11.802 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -13.083 -4.547 -14.466 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -14.796 -4.374 -14.135 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -14.037 -2.165 -13.771 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -13.998 -2.803 -12.140 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -11.801 -2.532 -12.073 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -11.578 -3.450 -13.485 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -11.866 -1.780 -13.594 1.00 1.00 H new ATOM 1004 N GLN A 65 -9.946 -7.400 -10.269 1.00 1.00 N ATOM 1005 CA GLN A 65 -8.660 -7.369 -9.578 1.00 1.00 C ATOM 1006 C GLN A 65 -7.631 -6.556 -10.359 1.00 1.00 C ATOM 1007 O GLN A 65 -7.458 -6.736 -11.562 1.00 1.00 O ATOM 1008 CB GLN A 65 -8.148 -8.800 -9.368 1.00 1.00 C ATOM 1009 CG GLN A 65 -7.969 -9.498 -10.722 1.00 1.00 C ATOM 1010 CD GLN A 65 -7.668 -10.977 -10.512 1.00 1.00 C ATOM 1011 OE1 GLN A 65 -7.736 -11.471 -9.387 1.00 1.00 O ATOM 1012 NE2 GLN A 65 -7.339 -11.715 -11.536 1.00 1.00 N ATOM 0 H GLN A 65 -10.138 -8.273 -10.760 1.00 1.00 H new ATOM 0 HA GLN A 65 -8.805 -6.888 -8.611 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -7.199 -8.780 -8.832 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -8.851 -9.360 -8.751 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -8.872 -9.384 -11.321 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -7.157 -9.029 -11.277 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -7.284 -11.301 -12.466 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -7.137 -12.706 -11.406 1.00 1.00 H new ATOM 1021 N HIS A 66 -6.948 -5.650 -9.657 1.00 1.00 N ATOM 1022 CA HIS A 66 -5.917 -4.801 -10.277 1.00 1.00 C ATOM 1023 C HIS A 66 -4.781 -4.510 -9.294 1.00 1.00 C ATOM 1024 O HIS A 66 -5.001 -4.361 -8.093 1.00 1.00 O ATOM 1025 CB HIS A 66 -6.521 -3.474 -10.742 1.00 1.00 C ATOM 1026 CG HIS A 66 -7.545 -3.722 -11.810 1.00 1.00 C ATOM 1027 ND1 HIS A 66 -7.202 -3.984 -13.128 1.00 1.00 N ATOM 1028 CD2 HIS A 66 -8.910 -3.739 -11.766 1.00 1.00 C ATOM 1029 CE1 HIS A 66 -8.346 -4.144 -13.818 1.00 1.00 C ATOM 1030 NE2 HIS A 66 -9.419 -4.005 -13.036 1.00 1.00 N ATOM 0 H HIS A 66 -7.086 -5.482 -8.661 1.00 1.00 H new ATOM 0 HA HIS A 66 -5.519 -5.344 -11.134 1.00 1.00 H new ATOM 0 HB2 HIS A 66 -6.981 -2.959 -9.899 1.00 1.00 H new ATOM 0 HB3 HIS A 66 -5.736 -2.822 -11.124 1.00 1.00 H new ATOM 0 HD1 HIS A 66 -6.256 -4.044 -13.505 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -9.505 -3.572 -10.881 1.00 1.00 H new ATOM 0 HE1 HIS A 66 -8.391 -4.359 -14.876 1.00 1.00 H new ATOM 1039 N GLU A 67 -3.564 -4.439 -9.830 1.00 1.00 N ATOM 1040 CA GLU A 67 -2.365 -4.169 -9.040 1.00 1.00 C ATOM 1041 C GLU A 67 -2.086 -2.668 -8.980 1.00 1.00 C ATOM 1042 O GLU A 67 -2.213 -1.961 -9.977 1.00 1.00 O ATOM 1043 CB GLU A 67 -1.154 -4.877 -9.663 1.00 1.00 C ATOM 1044 CG GLU A 67 -1.343 -6.398 -9.588 1.00 1.00 C ATOM 1045 CD GLU A 67 -2.439 -6.845 -10.554 1.00 1.00 C ATOM 1046 OE1 GLU A 67 -2.726 -6.105 -11.480 1.00 1.00 O ATOM 1047 OE2 GLU A 67 -2.971 -7.925 -10.355 1.00 1.00 O ATOM 0 H GLU A 67 -3.382 -4.567 -10.825 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.533 -4.543 -8.030 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.035 -4.567 -10.701 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.243 -4.589 -9.138 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -0.407 -6.900 -9.832 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -1.605 -6.689 -8.571 1.00 1.00 H new ATOM 1054 N ALA A 68 -1.720 -2.197 -7.788 1.00 1.00 N ATOM 1055 CA ALA A 68 -1.428 -0.773 -7.549 1.00 1.00 C ATOM 1056 C ALA A 68 0.068 -0.571 -7.308 1.00 1.00 C ATOM 1057 O ALA A 68 0.646 -1.122 -6.373 1.00 1.00 O ATOM 1058 CB ALA A 68 -2.233 -0.271 -6.321 1.00 1.00 C ATOM 0 H ALA A 68 -1.616 -2.784 -6.960 1.00 1.00 H new ATOM 0 HA ALA A 68 -1.721 -0.201 -8.430 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -2.014 0.783 -6.148 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -3.299 -0.393 -6.510 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -1.952 -0.849 -5.441 1.00 1.00 H new ATOM 1064 N GLU A 69 0.675 0.237 -8.166 1.00 1.00 N ATOM 1065 CA GLU A 69 2.102 0.539 -8.060 1.00 1.00 C ATOM 1066 C GLU A 69 2.328 1.618 -7.007 1.00 1.00 C ATOM 1067 O GLU A 69 2.108 2.802 -7.259 1.00 1.00 O ATOM 1068 CB GLU A 69 2.639 1.029 -9.411 1.00 1.00 C ATOM 1069 CG GLU A 69 2.597 -0.114 -10.426 1.00 1.00 C ATOM 1070 CD GLU A 69 3.070 0.377 -11.795 1.00 1.00 C ATOM 1071 OE1 GLU A 69 3.489 1.521 -11.887 1.00 1.00 O ATOM 1072 OE2 GLU A 69 3.011 -0.403 -12.731 1.00 1.00 O ATOM 0 H GLU A 69 0.204 0.697 -8.945 1.00 1.00 H new ATOM 0 HA GLU A 69 2.630 -0.369 -7.770 1.00 1.00 H new ATOM 0 HB2 GLU A 69 2.042 1.868 -9.768 1.00 1.00 H new ATOM 0 HB3 GLU A 69 3.661 1.391 -9.298 1.00 1.00 H new ATOM 0 HG2 GLU A 69 3.230 -0.934 -10.087 1.00 1.00 H new ATOM 0 HG3 GLU A 69 1.582 -0.505 -10.502 1.00 1.00 H new ATOM 1079 N LEU A 70 2.763 1.194 -5.819 1.00 1.00 N ATOM 1080 CA LEU A 70 3.013 2.116 -4.705 1.00 1.00 C ATOM 1081 C LEU A 70 4.500 2.217 -4.406 1.00 1.00 C ATOM 1082 O LEU A 70 5.223 1.224 -4.463 1.00 1.00 O ATOM 1083 CB LEU A 70 2.270 1.627 -3.464 1.00 1.00 C ATOM 1084 CG LEU A 70 2.544 2.570 -2.244 1.00 1.00 C ATOM 1085 CD1 LEU A 70 1.239 2.853 -1.487 1.00 1.00 C ATOM 1086 CD2 LEU A 70 3.546 1.913 -1.283 1.00 1.00 C ATOM 0 H LEU A 70 2.951 0.215 -5.601 1.00 1.00 H new ATOM 0 HA LEU A 70 2.653 3.106 -4.986 1.00 1.00 H new ATOM 0 HB2 LEU A 70 1.200 1.589 -3.667 1.00 1.00 H new ATOM 0 HB3 LEU A 70 2.585 0.612 -3.223 1.00 1.00 H new ATOM 0 HG LEU A 70 2.957 3.506 -2.620 1.00 1.00 H new ATOM 0 HD11 LEU A 70 1.444 3.510 -0.641 1.00 1.00 H new ATOM 0 HD12 LEU A 70 0.527 3.335 -2.157 1.00 1.00 H new ATOM 0 HD13 LEU A 70 0.818 1.915 -1.124 1.00 1.00 H new ATOM 0 HD21 LEU A 70 3.729 2.577 -0.438 1.00 1.00 H new ATOM 0 HD22 LEU A 70 3.138 0.970 -0.921 1.00 1.00 H new ATOM 0 HD23 LEU A 70 4.483 1.725 -1.807 1.00 1.00 H new ATOM 1098 N VAL A 71 4.950 3.436 -4.091 1.00 1.00 N ATOM 1099 CA VAL A 71 6.372 3.698 -3.785 1.00 1.00 C ATOM 1100 C VAL A 71 6.526 4.253 -2.364 1.00 1.00 C ATOM 1101 O VAL A 71 5.817 5.164 -1.953 1.00 1.00 O ATOM 1102 CB VAL A 71 6.949 4.707 -4.789 1.00 1.00 C ATOM 1103 CG1 VAL A 71 8.472 4.820 -4.605 1.00 1.00 C ATOM 1104 CG2 VAL A 71 6.647 4.238 -6.214 1.00 1.00 C ATOM 0 H VAL A 71 4.354 4.262 -4.040 1.00 1.00 H new ATOM 0 HA VAL A 71 6.916 2.756 -3.859 1.00 1.00 H new ATOM 0 HB VAL A 71 6.492 5.681 -4.616 1.00 1.00 H new ATOM 0 HG11 VAL A 71 8.873 5.538 -5.321 1.00 1.00 H new ATOM 0 HG12 VAL A 71 8.692 5.157 -3.592 1.00 1.00 H new ATOM 0 HG13 VAL A 71 8.932 3.846 -4.772 1.00 1.00 H new ATOM 0 HG21 VAL A 71 7.056 4.954 -6.927 1.00 1.00 H new ATOM 0 HG22 VAL A 71 7.101 3.261 -6.379 1.00 1.00 H new ATOM 0 HG23 VAL A 71 5.568 4.165 -6.352 1.00 1.00 H new ATOM 1114 N LEU A 72 7.461 3.675 -1.621 1.00 1.00 N ATOM 1115 CA LEU A 72 7.700 4.091 -0.247 1.00 1.00 C ATOM 1116 C LEU A 72 8.229 5.509 -0.203 1.00 1.00 C ATOM 1117 O LEU A 72 9.264 5.811 -0.798 1.00 1.00 O ATOM 1118 CB LEU A 72 8.706 3.122 0.407 1.00 1.00 C ATOM 1119 CG LEU A 72 8.017 1.788 0.779 1.00 1.00 C ATOM 1120 CD1 LEU A 72 6.948 1.998 1.884 1.00 1.00 C ATOM 1121 CD2 LEU A 72 7.363 1.173 -0.477 1.00 1.00 C ATOM 0 H LEU A 72 8.064 2.919 -1.946 1.00 1.00 H new ATOM 0 HA LEU A 72 6.760 4.066 0.304 1.00 1.00 H new ATOM 0 HB2 LEU A 72 9.533 2.932 -0.277 1.00 1.00 H new ATOM 0 HB3 LEU A 72 9.131 3.579 1.301 1.00 1.00 H new ATOM 0 HG LEU A 72 8.775 1.107 1.167 1.00 1.00 H new ATOM 0 HD11 LEU A 72 6.481 1.043 2.124 1.00 1.00 H new ATOM 0 HD12 LEU A 72 7.423 2.405 2.777 1.00 1.00 H new ATOM 0 HD13 LEU A 72 6.188 2.694 1.528 1.00 1.00 H new ATOM 0 HD21 LEU A 72 6.878 0.233 -0.212 1.00 1.00 H new ATOM 0 HD22 LEU A 72 6.621 1.864 -0.876 1.00 1.00 H new ATOM 0 HD23 LEU A 72 8.128 0.987 -1.231 1.00 1.00 H new ATOM 1133 N LYS A 73 7.503 6.385 0.512 1.00 1.00 N ATOM 1134 CA LYS A 73 7.896 7.788 0.638 1.00 1.00 C ATOM 1135 C LYS A 73 7.837 8.247 2.116 1.00 1.00 C ATOM 1136 O LYS A 73 6.794 8.117 2.761 1.00 1.00 O ATOM 1137 CB LYS A 73 6.959 8.651 -0.208 1.00 1.00 C ATOM 1138 CG LYS A 73 7.479 10.092 -0.242 1.00 1.00 C ATOM 1139 CD LYS A 73 6.607 10.922 -1.184 1.00 1.00 C ATOM 1140 CE LYS A 73 7.126 12.361 -1.234 1.00 1.00 C ATOM 1141 NZ LYS A 73 6.983 12.987 0.110 1.00 1.00 N ATOM 0 H LYS A 73 6.645 6.142 1.008 1.00 1.00 H new ATOM 0 HA LYS A 73 8.922 7.898 0.287 1.00 1.00 H new ATOM 0 HB2 LYS A 73 6.896 8.252 -1.221 1.00 1.00 H new ATOM 0 HB3 LYS A 73 5.952 8.627 0.207 1.00 1.00 H new ATOM 0 HG2 LYS A 73 7.462 10.521 0.760 1.00 1.00 H new ATOM 0 HG3 LYS A 73 8.516 10.109 -0.578 1.00 1.00 H new ATOM 0 HD2 LYS A 73 6.618 10.487 -2.183 1.00 1.00 H new ATOM 0 HD3 LYS A 73 5.572 10.910 -0.842 1.00 1.00 H new ATOM 0 HE2 LYS A 73 8.171 12.371 -1.543 1.00 1.00 H new ATOM 0 HE3 LYS A 73 6.569 12.934 -1.975 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 7.023 14.022 0.017 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 6.071 12.711 0.526 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 7.756 12.665 0.727 1.00 1.00 H new