USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 519 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 49 THR OG1 : rot 124:sc= 1.24 USER MOD Set 1.2: A 51 HIS : no HE2:sc= -4.29! C(o=-3.1!,f=-7.9!) USER MOD Set 2.1: A 25 ASN : amide:sc= -5.73! C(o=-6.2!,f=-10!) USER MOD Set 2.2: A 69 GLN : amide:sc= -0.515 K(o=-6.2,f=-7.5) USER MOD Single : A 11 GLN : amide:sc= -2.69! C(o=-2.7!,f=-1.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.735 K(o=-0.74,f=-4.5!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0557) USER MOD Single : A 28 GLN : amide:sc=-0.00572 X(o=-0.0057,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.24) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 18:sc= 1.13 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.77) USER MOD Single : A 60 GLN : amide:sc= -0.0533 K(o=-0.053,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -77:sc= 0.979 USER MOD Single : A 73 TYR OH : rot -93:sc= 0.97 USER MOD Single : A 74 SER OG : rot 39:sc= 0.732 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ASP A 10 6.417 -6.670 4.875 1.00 0.00 N ATOM 145 CA ASP A 10 5.447 -5.887 4.130 1.00 0.00 C ATOM 146 C ASP A 10 5.182 -4.573 4.870 1.00 0.00 C ATOM 147 O ASP A 10 5.814 -4.291 5.887 1.00 0.00 O ATOM 148 CB ASP A 10 4.118 -6.633 4.002 1.00 0.00 C ATOM 149 CG ASP A 10 3.791 -7.574 5.164 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.412 -8.657 5.209 1.00 0.00 O ATOM 151 OD2 ASP A 10 2.926 -7.188 5.980 1.00 0.00 O ATOM 0 HA ASP A 10 5.855 -5.703 3.136 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.315 -5.902 3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.130 -7.211 3.078 1.00 0.00 H new ATOM 156 N GLN A 11 4.247 -3.806 4.331 1.00 0.00 N ATOM 157 CA GLN A 11 3.891 -2.529 4.927 1.00 0.00 C ATOM 158 C GLN A 11 2.567 -2.025 4.349 1.00 0.00 C ATOM 159 O GLN A 11 2.324 -2.144 3.148 1.00 0.00 O ATOM 160 CB GLN A 11 5.005 -1.501 4.725 1.00 0.00 C ATOM 161 CG GLN A 11 4.813 -0.297 5.651 1.00 0.00 C ATOM 162 CD GLN A 11 5.409 0.970 5.033 1.00 0.00 C ATOM 163 OE1 GLN A 11 6.603 1.082 4.811 1.00 0.00 O ATOM 164 NE2 GLN A 11 4.511 1.916 4.767 1.00 0.00 N ATOM 0 H GLN A 11 3.725 -4.044 3.488 1.00 0.00 H new ATOM 0 HA GLN A 11 3.765 -2.673 6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.972 -1.964 4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.014 -1.168 3.687 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.751 -0.147 5.843 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.286 -0.494 6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.526 1.758 4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.808 2.799 4.352 1.00 0.00 H new ATOM 173 N VAL A 12 1.746 -1.471 5.228 1.00 0.00 N ATOM 174 CA VAL A 12 0.453 -0.948 4.821 1.00 0.00 C ATOM 175 C VAL A 12 0.562 0.565 4.616 1.00 0.00 C ATOM 176 O VAL A 12 1.553 1.179 5.012 1.00 0.00 O ATOM 177 CB VAL A 12 -0.616 -1.337 5.844 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.978 -1.516 5.172 1.00 0.00 C ATOM 179 CG2 VAL A 12 -0.210 -2.600 6.607 1.00 0.00 C ATOM 0 H VAL A 12 1.951 -1.373 6.222 1.00 0.00 H new ATOM 0 HA VAL A 12 0.147 -1.385 3.870 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.703 -0.524 6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.720 -1.792 5.921 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.274 -0.582 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.912 -2.302 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.987 -2.855 7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.082 -3.424 5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.728 -2.422 7.132 1.00 0.00 H new ATOM 189 N LEU A 13 -0.469 1.122 3.997 1.00 0.00 N ATOM 190 CA LEU A 13 -0.502 2.550 3.735 1.00 0.00 C ATOM 191 C LEU A 13 -1.954 3.002 3.576 1.00 0.00 C ATOM 192 O LEU A 13 -2.786 2.259 3.057 1.00 0.00 O ATOM 193 CB LEU A 13 0.385 2.896 2.537 1.00 0.00 C ATOM 194 CG LEU A 13 -0.289 2.836 1.165 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.602 4.241 0.647 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.557 2.034 0.174 1.00 0.00 C ATOM 0 H LEU A 13 -1.288 0.609 3.669 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.087 3.101 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.781 3.901 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.236 2.215 2.532 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.240 2.314 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.081 4.170 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.272 4.745 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.323 4.810 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.056 2.006 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.533 2.506 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.686 1.017 0.545 1.00 0.00 H new ATOM 208 N GLU A 14 -2.215 4.218 4.031 1.00 0.00 N ATOM 209 CA GLU A 14 -3.554 4.779 3.945 1.00 0.00 C ATOM 210 C GLU A 14 -3.666 5.701 2.730 1.00 0.00 C ATOM 211 O GLU A 14 -2.908 6.662 2.603 1.00 0.00 O ATOM 212 CB GLU A 14 -3.922 5.519 5.233 1.00 0.00 C ATOM 213 CG GLU A 14 -2.720 6.285 5.787 1.00 0.00 C ATOM 214 CD GLU A 14 -3.171 7.513 6.580 1.00 0.00 C ATOM 215 OE1 GLU A 14 -3.738 8.425 5.941 1.00 0.00 O ATOM 216 OE2 GLU A 14 -2.939 7.513 7.808 1.00 0.00 O ATOM 0 H GLU A 14 -1.523 4.831 4.461 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.263 3.961 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.741 6.212 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.278 4.806 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.131 5.630 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.072 6.595 4.967 1.00 0.00 H new ATOM 223 N ILE A 15 -4.619 5.378 1.868 1.00 0.00 N ATOM 224 CA ILE A 15 -4.840 6.167 0.667 1.00 0.00 C ATOM 225 C ILE A 15 -6.181 6.895 0.781 1.00 0.00 C ATOM 226 O ILE A 15 -7.122 6.380 1.384 1.00 0.00 O ATOM 227 CB ILE A 15 -4.721 5.288 -0.579 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.388 4.538 -0.597 1.00 0.00 C ATOM 229 CG2 ILE A 15 -4.931 6.112 -1.852 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.512 3.216 -1.357 1.00 0.00 C ATOM 0 H ILE A 15 -5.247 4.581 1.977 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.070 6.931 0.565 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.511 4.538 -0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.624 5.159 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.062 4.345 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.841 5.464 -2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.924 6.562 -1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.178 6.898 -1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.550 2.703 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.260 2.587 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.815 3.414 -2.385 1.00 0.00 H new ATOM 242 N VAL A 16 -6.226 8.080 0.191 1.00 0.00 N ATOM 243 CA VAL A 16 -7.436 8.885 0.218 1.00 0.00 C ATOM 244 C VAL A 16 -7.800 9.298 -1.209 1.00 0.00 C ATOM 245 O VAL A 16 -7.311 10.310 -1.708 1.00 0.00 O ATOM 246 CB VAL A 16 -7.250 10.078 1.158 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.249 11.190 0.835 1.00 0.00 C ATOM 248 CG2 VAL A 16 -7.365 9.645 2.622 1.00 0.00 C ATOM 0 H VAL A 16 -5.444 8.503 -0.309 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.272 8.306 0.612 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.246 10.474 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.096 12.026 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.100 11.527 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.265 10.811 0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.229 10.511 3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.350 9.212 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.598 8.903 2.843 1.00 0.00 H new ATOM 258 N PRO A 17 -8.677 8.473 -1.840 1.00 0.00 N ATOM 259 CA PRO A 17 -9.112 8.744 -3.200 1.00 0.00 C ATOM 260 C PRO A 17 -10.118 9.897 -3.235 1.00 0.00 C ATOM 261 O PRO A 17 -10.424 10.490 -2.202 1.00 0.00 O ATOM 262 CB PRO A 17 -9.698 7.431 -3.694 1.00 0.00 C ATOM 263 CG PRO A 17 -9.992 6.611 -2.449 1.00 0.00 C ATOM 264 CD PRO A 17 -9.276 7.266 -1.279 1.00 0.00 C ATOM 0 HA PRO A 17 -8.296 9.070 -3.845 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.606 7.602 -4.273 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.997 6.912 -4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.065 6.569 -2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.650 5.584 -2.579 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.970 7.506 -0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.517 6.606 -0.859 1.00 0.00 H new ATOM 272 N SER A 18 -10.604 10.180 -4.435 1.00 0.00 N ATOM 273 CA SER A 18 -11.568 11.251 -4.618 1.00 0.00 C ATOM 274 C SER A 18 -12.442 10.965 -5.840 1.00 0.00 C ATOM 275 O SER A 18 -13.662 11.116 -5.784 1.00 0.00 O ATOM 276 CB SER A 18 -10.867 12.603 -4.771 1.00 0.00 C ATOM 277 OG SER A 18 -11.788 13.690 -4.726 1.00 0.00 O ATOM 0 H SER A 18 -10.348 9.686 -5.290 1.00 0.00 H new ATOM 0 HA SER A 18 -12.199 11.298 -3.731 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.129 12.720 -3.978 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.325 12.626 -5.717 1.00 0.00 H new ATOM 0 HG SER A 18 -11.302 14.535 -4.826 1.00 0.00 H new ATOM 283 N ASN A 19 -11.785 10.558 -6.916 1.00 0.00 N ATOM 284 CA ASN A 19 -12.487 10.249 -8.150 1.00 0.00 C ATOM 285 C ASN A 19 -12.488 8.735 -8.366 1.00 0.00 C ATOM 286 O ASN A 19 -12.187 7.973 -7.449 1.00 0.00 O ATOM 287 CB ASN A 19 -11.798 10.899 -9.353 1.00 0.00 C ATOM 288 CG ASN A 19 -11.299 12.302 -9.007 1.00 0.00 C ATOM 289 OD1 ASN A 19 -11.684 12.900 -8.015 1.00 0.00 O ATOM 290 ND2 ASN A 19 -10.423 12.795 -9.878 1.00 0.00 N ATOM 0 H ASN A 19 -10.773 10.435 -6.959 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.503 10.634 -8.065 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.960 10.280 -9.675 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.494 10.953 -10.190 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.031 13.726 -9.736 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.143 12.242 -10.688 1.00 0.00 H new ATOM 297 N GLU A 20 -12.829 8.344 -9.585 1.00 0.00 N ATOM 298 CA GLU A 20 -12.874 6.934 -9.933 1.00 0.00 C ATOM 299 C GLU A 20 -11.584 6.522 -10.646 1.00 0.00 C ATOM 300 O GLU A 20 -11.142 5.380 -10.526 1.00 0.00 O ATOM 301 CB GLU A 20 -14.100 6.619 -10.794 1.00 0.00 C ATOM 302 CG GLU A 20 -15.384 6.692 -9.966 1.00 0.00 C ATOM 303 CD GLU A 20 -16.097 8.029 -10.176 1.00 0.00 C ATOM 304 OE1 GLU A 20 -16.910 8.097 -11.124 1.00 0.00 O ATOM 305 OE2 GLU A 20 -15.814 8.954 -9.384 1.00 0.00 O ATOM 0 H GLU A 20 -13.077 8.979 -10.344 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.959 6.356 -9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.157 7.324 -11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.999 5.624 -11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.048 5.874 -10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.147 6.564 -8.910 1.00 0.00 H new ATOM 312 N GLU A 21 -11.016 7.475 -11.370 1.00 0.00 N ATOM 313 CA GLU A 21 -9.786 7.226 -12.101 1.00 0.00 C ATOM 314 C GLU A 21 -8.668 6.821 -11.138 1.00 0.00 C ATOM 315 O GLU A 21 -7.994 5.815 -11.351 1.00 0.00 O ATOM 316 CB GLU A 21 -9.381 8.448 -12.928 1.00 0.00 C ATOM 317 CG GLU A 21 -7.895 8.398 -13.290 1.00 0.00 C ATOM 318 CD GLU A 21 -7.599 9.275 -14.507 1.00 0.00 C ATOM 319 OE1 GLU A 21 -8.421 10.179 -14.770 1.00 0.00 O ATOM 320 OE2 GLU A 21 -6.556 9.022 -15.149 1.00 0.00 O ATOM 0 H GLU A 21 -11.385 8.421 -11.466 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.959 6.402 -12.793 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.979 8.490 -13.838 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.591 9.358 -12.366 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.299 8.734 -12.442 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.602 7.369 -13.499 1.00 0.00 H new ATOM 327 N GLN A 22 -8.506 7.627 -10.098 1.00 0.00 N ATOM 328 CA GLN A 22 -7.482 7.365 -9.102 1.00 0.00 C ATOM 329 C GLN A 22 -7.727 6.011 -8.431 1.00 0.00 C ATOM 330 O GLN A 22 -6.786 5.262 -8.177 1.00 0.00 O ATOM 331 CB GLN A 22 -7.426 8.488 -8.065 1.00 0.00 C ATOM 332 CG GLN A 22 -6.449 9.585 -8.495 1.00 0.00 C ATOM 333 CD GLN A 22 -7.020 10.973 -8.205 1.00 0.00 C ATOM 334 OE1 GLN A 22 -7.499 11.672 -9.084 1.00 0.00 O ATOM 335 NE2 GLN A 22 -6.944 11.334 -6.927 1.00 0.00 N ATOM 0 H GLN A 22 -9.067 8.461 -9.924 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.515 7.330 -9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.420 8.914 -7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.121 8.082 -7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.502 9.460 -7.969 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.237 9.491 -9.560 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.531 10.701 -6.242 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.299 12.244 -6.632 1.00 0.00 H new ATOM 344 N ILE A 23 -8.996 5.741 -8.164 1.00 0.00 N ATOM 345 CA ILE A 23 -9.377 4.491 -7.528 1.00 0.00 C ATOM 346 C ILE A 23 -9.183 3.340 -8.519 1.00 0.00 C ATOM 347 O ILE A 23 -8.699 2.272 -8.147 1.00 0.00 O ATOM 348 CB ILE A 23 -10.796 4.586 -6.965 1.00 0.00 C ATOM 349 CG1 ILE A 23 -10.809 5.340 -5.635 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.433 3.201 -6.846 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.242 5.602 -5.166 1.00 0.00 C ATOM 0 H ILE A 23 -9.774 6.366 -8.376 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.734 4.287 -6.672 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.403 5.160 -7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.276 4.762 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.280 6.287 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.441 3.298 -6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.479 2.736 -7.831 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.834 2.581 -6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.222 6.140 -4.218 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.765 6.201 -5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.761 4.653 -5.034 1.00 0.00 H new ATOM 363 N LYS A 24 -9.573 3.597 -9.758 1.00 0.00 N ATOM 364 CA LYS A 24 -9.449 2.597 -10.804 1.00 0.00 C ATOM 365 C LYS A 24 -7.968 2.300 -11.046 1.00 0.00 C ATOM 366 O LYS A 24 -7.625 1.293 -11.665 1.00 0.00 O ATOM 367 CB LYS A 24 -10.201 3.039 -12.061 1.00 0.00 C ATOM 368 CG LYS A 24 -9.597 2.402 -13.314 1.00 0.00 C ATOM 369 CD LYS A 24 -10.465 2.680 -14.543 1.00 0.00 C ATOM 370 CE LYS A 24 -9.698 3.500 -15.582 1.00 0.00 C ATOM 371 NZ LYS A 24 -8.605 2.695 -16.174 1.00 0.00 N ATOM 0 H LYS A 24 -9.975 4.484 -10.061 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.916 1.662 -10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.251 2.760 -11.977 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.165 4.125 -12.147 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.593 2.793 -13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.500 1.326 -13.169 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.788 1.738 -14.985 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.365 3.217 -14.243 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.378 3.833 -16.366 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.287 4.395 -15.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.250 3.168 -17.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.832 2.599 -15.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.965 1.752 -16.424 1.00 0.00 H new ATOM 385 N ASN A 25 -7.127 3.194 -10.546 1.00 0.00 N ATOM 386 CA ASN A 25 -5.691 3.041 -10.701 1.00 0.00 C ATOM 387 C ASN A 25 -5.209 1.888 -9.818 1.00 0.00 C ATOM 388 O ASN A 25 -4.366 1.094 -10.233 1.00 0.00 O ATOM 389 CB ASN A 25 -4.953 4.308 -10.268 1.00 0.00 C ATOM 390 CG ASN A 25 -3.650 4.478 -11.053 1.00 0.00 C ATOM 391 OD1 ASN A 25 -2.566 4.557 -10.499 1.00 0.00 O ATOM 392 ND2 ASN A 25 -3.816 4.531 -12.373 1.00 0.00 N ATOM 0 H ASN A 25 -7.414 4.028 -10.033 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.483 2.845 -11.753 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.592 5.177 -10.424 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.736 4.260 -9.201 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.008 4.644 -12.985 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.752 4.459 -12.773 1.00 0.00 H new ATOM 399 N LEU A 26 -5.763 1.832 -8.616 1.00 0.00 N ATOM 400 CA LEU A 26 -5.400 0.791 -7.671 1.00 0.00 C ATOM 401 C LEU A 26 -5.839 -0.568 -8.222 1.00 0.00 C ATOM 402 O LEU A 26 -5.088 -1.541 -8.155 1.00 0.00 O ATOM 403 CB LEU A 26 -5.966 1.103 -6.284 1.00 0.00 C ATOM 404 CG LEU A 26 -5.059 1.912 -5.356 1.00 0.00 C ATOM 405 CD1 LEU A 26 -5.719 2.125 -3.992 1.00 0.00 C ATOM 406 CD2 LEU A 26 -3.680 1.261 -5.231 1.00 0.00 C ATOM 0 H LEU A 26 -6.462 2.492 -8.275 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.318 0.752 -7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.902 1.647 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.208 0.161 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.910 2.897 -5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.053 2.703 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.657 2.665 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.919 1.158 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.055 1.857 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.788 0.256 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.213 1.206 -6.214 1.00 0.00 H new ATOM 418 N LEU A 27 -7.051 -0.590 -8.755 1.00 0.00 N ATOM 419 CA LEU A 27 -7.598 -1.813 -9.319 1.00 0.00 C ATOM 420 C LEU A 27 -6.603 -2.397 -10.323 1.00 0.00 C ATOM 421 O LEU A 27 -6.192 -3.549 -10.197 1.00 0.00 O ATOM 422 CB LEU A 27 -8.987 -1.558 -9.907 1.00 0.00 C ATOM 423 CG LEU A 27 -10.161 -1.678 -8.931 1.00 0.00 C ATOM 424 CD1 LEU A 27 -10.987 -0.391 -8.906 1.00 0.00 C ATOM 425 CD2 LEU A 27 -11.019 -2.904 -9.256 1.00 0.00 C ATOM 0 H LEU A 27 -7.670 0.219 -8.809 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.740 -2.561 -8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.999 -0.557 -10.338 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.148 -2.259 -10.726 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.759 -1.821 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.814 -0.503 -8.205 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.356 0.440 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.381 -0.192 -9.903 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.846 -2.967 -8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.413 -2.814 -10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.409 -3.805 -9.183 1.00 0.00 H new ATOM 437 N GLN A 28 -6.244 -1.575 -11.299 1.00 0.00 N ATOM 438 CA GLN A 28 -5.305 -1.994 -12.324 1.00 0.00 C ATOM 439 C GLN A 28 -4.020 -2.522 -11.683 1.00 0.00 C ATOM 440 O GLN A 28 -3.420 -3.475 -12.179 1.00 0.00 O ATOM 441 CB GLN A 28 -5.005 -0.850 -13.294 1.00 0.00 C ATOM 442 CG GLN A 28 -4.723 -1.383 -14.701 1.00 0.00 C ATOM 443 CD GLN A 28 -3.316 -1.000 -15.161 1.00 0.00 C ATOM 444 OE1 GLN A 28 -3.006 0.155 -15.401 1.00 0.00 O ATOM 445 NE2 GLN A 28 -2.483 -2.031 -15.271 1.00 0.00 N ATOM 0 H GLN A 28 -6.588 -0.620 -11.401 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.760 -2.802 -12.897 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.851 -0.163 -13.324 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.146 -0.282 -12.937 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.830 -2.468 -14.711 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.459 -0.984 -15.399 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.807 -2.974 -15.054 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.520 -1.879 -15.572 1.00 0.00 H new ATOM 454 N LEU A 29 -3.634 -1.878 -10.591 1.00 0.00 N ATOM 455 CA LEU A 29 -2.431 -2.270 -9.877 1.00 0.00 C ATOM 456 C LEU A 29 -2.646 -3.644 -9.238 1.00 0.00 C ATOM 457 O LEU A 29 -1.966 -4.608 -9.587 1.00 0.00 O ATOM 458 CB LEU A 29 -2.022 -1.185 -8.879 1.00 0.00 C ATOM 459 CG LEU A 29 -1.042 -1.614 -7.785 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.319 -1.979 -8.380 1.00 0.00 C ATOM 461 CD2 LEU A 29 -0.926 -0.541 -6.701 1.00 0.00 C ATOM 0 H LEU A 29 -4.133 -1.087 -10.184 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.593 -2.367 -10.568 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.578 -0.358 -9.433 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.923 -0.800 -8.401 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.435 -2.512 -7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.996 -2.280 -7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.199 -2.803 -9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.733 -1.115 -8.900 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.223 -0.871 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.569 0.388 -7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.903 -0.374 -6.248 1.00 0.00 H new ATOM 473 N GLU A 30 -3.594 -3.689 -8.315 1.00 0.00 N ATOM 474 CA GLU A 30 -3.909 -4.929 -7.624 1.00 0.00 C ATOM 475 C GLU A 30 -4.224 -6.033 -8.635 1.00 0.00 C ATOM 476 O GLU A 30 -4.138 -7.218 -8.312 1.00 0.00 O ATOM 477 CB GLU A 30 -5.067 -4.733 -6.646 1.00 0.00 C ATOM 478 CG GLU A 30 -4.943 -5.681 -5.451 1.00 0.00 C ATOM 479 CD GLU A 30 -5.731 -6.970 -5.691 1.00 0.00 C ATOM 480 OE1 GLU A 30 -6.949 -6.853 -5.943 1.00 0.00 O ATOM 481 OE2 GLU A 30 -5.096 -8.045 -5.616 1.00 0.00 O ATOM 0 H GLU A 30 -4.155 -2.887 -8.029 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.037 -5.232 -7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.081 -3.701 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.013 -4.909 -7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.893 -5.919 -5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.311 -5.188 -4.551 1.00 0.00 H new ATOM 488 N ALA A 31 -4.584 -5.607 -9.837 1.00 0.00 N ATOM 489 CA ALA A 31 -4.913 -6.545 -10.896 1.00 0.00 C ATOM 490 C ALA A 31 -3.642 -7.274 -11.339 1.00 0.00 C ATOM 491 O ALA A 31 -3.680 -8.463 -11.648 1.00 0.00 O ATOM 492 CB ALA A 31 -5.589 -5.799 -12.047 1.00 0.00 C ATOM 0 H ALA A 31 -4.655 -4.624 -10.101 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.616 -7.297 -10.538 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.836 -6.503 -12.842 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.501 -5.324 -11.687 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.912 -5.037 -12.434 1.00 0.00 H new ATOM 498 N GLN A 32 -2.547 -6.528 -11.358 1.00 0.00 N ATOM 499 CA GLN A 32 -1.267 -7.088 -11.759 1.00 0.00 C ATOM 500 C GLN A 32 -0.905 -8.277 -10.867 1.00 0.00 C ATOM 501 O GLN A 32 -0.191 -8.122 -9.878 1.00 0.00 O ATOM 502 CB GLN A 32 -0.169 -6.023 -11.725 1.00 0.00 C ATOM 503 CG GLN A 32 -0.055 -5.308 -13.073 1.00 0.00 C ATOM 504 CD GLN A 32 0.527 -6.239 -14.139 1.00 0.00 C ATOM 505 OE1 GLN A 32 1.709 -6.540 -14.157 1.00 0.00 O ATOM 506 NE2 GLN A 32 -0.365 -6.676 -15.023 1.00 0.00 N ATOM 0 H GLN A 32 -2.520 -5.541 -11.102 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.353 -7.443 -12.786 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.386 -5.297 -10.942 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.785 -6.487 -11.474 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.038 -4.958 -13.388 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.578 -4.427 -12.969 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.340 -6.385 -14.950 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.074 -7.302 -15.774 1.00 0.00 H new ATOM 584 N LEU A 37 -1.347 -7.668 -4.007 1.00 0.00 N ATOM 585 CA LEU A 37 -1.810 -6.617 -3.116 1.00 0.00 C ATOM 586 C LEU A 37 -3.274 -6.872 -2.752 1.00 0.00 C ATOM 587 O LEU A 37 -4.028 -7.430 -3.549 1.00 0.00 O ATOM 588 CB LEU A 37 -1.561 -5.241 -3.735 1.00 0.00 C ATOM 589 CG LEU A 37 -0.350 -5.133 -4.664 1.00 0.00 C ATOM 590 CD1 LEU A 37 -0.781 -5.174 -6.132 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.477 -3.886 -4.343 1.00 0.00 C ATOM 0 HA LEU A 37 -1.243 -6.629 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.450 -4.950 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.441 -4.518 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 37 0.292 -5.997 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.098 -5.096 -6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.294 -6.114 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.454 -4.342 -6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.332 -3.833 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.141 -2.997 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.830 -3.939 -3.313 1.00 0.00 H new ATOM 603 N ASP A 38 -3.634 -6.451 -1.549 1.00 0.00 N ATOM 604 CA ASP A 38 -4.995 -6.626 -1.070 1.00 0.00 C ATOM 605 C ASP A 38 -5.446 -5.352 -0.353 1.00 0.00 C ATOM 606 O ASP A 38 -4.782 -4.886 0.571 1.00 0.00 O ATOM 607 CB ASP A 38 -5.084 -7.785 -0.076 1.00 0.00 C ATOM 608 CG ASP A 38 -6.459 -8.451 0.020 1.00 0.00 C ATOM 609 OD1 ASP A 38 -6.686 -9.398 -0.764 1.00 0.00 O ATOM 610 OD2 ASP A 38 -7.250 -7.999 0.874 1.00 0.00 O ATOM 0 H ASP A 38 -3.007 -5.989 -0.891 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.631 -6.839 -1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.350 -8.541 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.805 -7.419 0.912 1.00 0.00 H new ATOM 615 N PHE A 39 -6.575 -4.825 -0.806 1.00 0.00 N ATOM 616 CA PHE A 39 -7.123 -3.615 -0.218 1.00 0.00 C ATOM 617 C PHE A 39 -8.015 -3.942 0.982 1.00 0.00 C ATOM 618 O PHE A 39 -8.860 -4.833 0.908 1.00 0.00 O ATOM 619 CB PHE A 39 -7.972 -2.938 -1.298 1.00 0.00 C ATOM 620 CG PHE A 39 -7.197 -2.592 -2.572 1.00 0.00 C ATOM 621 CD1 PHE A 39 -6.050 -1.867 -2.493 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.656 -3.010 -3.782 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.331 -1.544 -3.675 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.938 -2.687 -4.963 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.790 -1.962 -4.885 1.00 0.00 C ATOM 0 H PHE A 39 -7.124 -5.214 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.314 -2.972 0.129 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.803 -3.594 -1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.403 -2.025 -0.888 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.685 -1.536 -1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.566 -3.588 -3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.420 -0.967 -3.613 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.304 -3.017 -5.924 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.243 -1.718 -5.784 1.00 0.00 H new ATOM 635 N TRP A 40 -7.794 -3.204 2.060 1.00 0.00 N ATOM 636 CA TRP A 40 -8.566 -3.405 3.275 1.00 0.00 C ATOM 637 C TRP A 40 -9.924 -2.727 3.089 1.00 0.00 C ATOM 638 O TRP A 40 -10.957 -3.395 3.065 1.00 0.00 O ATOM 639 CB TRP A 40 -7.804 -2.893 4.498 1.00 0.00 C ATOM 640 CG TRP A 40 -6.699 -3.832 4.983 1.00 0.00 C ATOM 641 CD1 TRP A 40 -6.212 -4.919 4.368 1.00 0.00 C ATOM 642 CD2 TRP A 40 -5.955 -3.723 6.215 1.00 0.00 C ATOM 643 NE1 TRP A 40 -5.214 -5.516 5.111 1.00 0.00 N ATOM 644 CE2 TRP A 40 -5.052 -4.766 6.270 1.00 0.00 C ATOM 645 CE3 TRP A 40 -6.042 -2.774 7.250 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -4.169 -4.960 7.338 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -5.153 -2.982 8.310 1.00 0.00 C ATOM 648 CH2 TRP A 40 -4.239 -4.027 8.380 1.00 0.00 C ATOM 0 H TRP A 40 -7.092 -2.466 2.118 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.730 -4.467 3.458 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.364 -1.925 4.260 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.511 -2.731 5.312 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.557 -5.282 3.411 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.691 -6.354 4.856 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.740 -1.950 7.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.472 -5.784 7.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.179 -2.281 9.132 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.585 -4.119 9.235 1.00 0.00 H new ATOM 659 N LYS A 41 -9.880 -1.409 2.961 1.00 0.00 N ATOM 660 CA LYS A 41 -11.095 -0.634 2.779 1.00 0.00 C ATOM 661 C LYS A 41 -11.408 -0.529 1.285 1.00 0.00 C ATOM 662 O LYS A 41 -10.725 0.186 0.552 1.00 0.00 O ATOM 663 CB LYS A 41 -10.977 0.721 3.479 1.00 0.00 C ATOM 664 CG LYS A 41 -11.409 0.622 4.944 1.00 0.00 C ATOM 665 CD LYS A 41 -12.117 1.901 5.395 1.00 0.00 C ATOM 666 CE LYS A 41 -13.592 1.634 5.695 1.00 0.00 C ATOM 667 NZ LYS A 41 -14.444 2.130 4.592 1.00 0.00 N ATOM 0 H LYS A 41 -9.022 -0.858 2.980 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.941 -1.136 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.947 1.075 3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.595 1.456 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.075 -0.231 5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.537 0.444 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.627 2.298 6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.032 2.661 4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.753 0.565 5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.874 2.123 6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.443 1.940 4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.303 3.154 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.186 1.645 3.709 1.00 0.00 H new ATOM 681 N SER A 42 -12.441 -1.251 0.877 1.00 0.00 N ATOM 682 CA SER A 42 -12.852 -1.248 -0.516 1.00 0.00 C ATOM 683 C SER A 42 -12.785 0.174 -1.080 1.00 0.00 C ATOM 684 O SER A 42 -13.677 0.984 -0.835 1.00 0.00 O ATOM 685 CB SER A 42 -14.264 -1.815 -0.676 1.00 0.00 C ATOM 686 OG SER A 42 -15.255 -0.936 -0.149 1.00 0.00 O ATOM 0 H SER A 42 -13.006 -1.842 1.487 1.00 0.00 H new ATOM 0 HA SER A 42 -12.167 -1.886 -1.074 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.465 -1.996 -1.732 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.327 -2.778 -0.170 1.00 0.00 H new ATOM 0 HG SER A 42 -14.874 -0.039 -0.044 1.00 0.00 H new ATOM 692 N PRO A 43 -11.691 0.439 -1.842 1.00 0.00 N ATOM 693 CA PRO A 43 -11.496 1.748 -2.441 1.00 0.00 C ATOM 694 C PRO A 43 -12.422 1.945 -3.641 1.00 0.00 C ATOM 695 O PRO A 43 -12.377 2.982 -4.301 1.00 0.00 O ATOM 696 CB PRO A 43 -10.023 1.795 -2.814 1.00 0.00 C ATOM 697 CG PRO A 43 -9.554 0.349 -2.837 1.00 0.00 C ATOM 698 CD PRO A 43 -10.614 -0.498 -2.153 1.00 0.00 C ATOM 0 HA PRO A 43 -11.748 2.563 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.881 2.267 -3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.455 2.379 -2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.402 0.014 -3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.597 0.250 -2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.962 -1.300 -2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.224 -0.968 -1.250 1.00 0.00 H new ATOM 706 N THR A 44 -13.242 0.934 -3.889 1.00 0.00 N ATOM 707 CA THR A 44 -14.179 0.984 -4.998 1.00 0.00 C ATOM 708 C THR A 44 -14.768 2.388 -5.137 1.00 0.00 C ATOM 709 O THR A 44 -14.612 3.031 -6.174 1.00 0.00 O ATOM 710 CB THR A 44 -15.236 -0.099 -4.773 1.00 0.00 C ATOM 711 OG1 THR A 44 -14.701 -1.248 -5.426 1.00 0.00 O ATOM 712 CG2 THR A 44 -16.536 0.186 -5.528 1.00 0.00 C ATOM 0 H THR A 44 -13.277 0.075 -3.340 1.00 0.00 H new ATOM 0 HA THR A 44 -13.680 0.780 -5.946 1.00 0.00 H new ATOM 0 HB THR A 44 -15.446 -0.185 -3.707 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.323 -1.999 -5.328 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.252 -0.613 -5.334 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.952 1.136 -5.191 1.00 0.00 H new ATOM 0 HG23 THR A 44 -16.332 0.238 -6.597 1.00 0.00 H new ATOM 720 N THR A 45 -15.432 2.824 -4.077 1.00 0.00 N ATOM 721 CA THR A 45 -16.046 4.141 -4.067 1.00 0.00 C ATOM 722 C THR A 45 -15.164 5.134 -3.308 1.00 0.00 C ATOM 723 O THR A 45 -14.349 4.738 -2.477 1.00 0.00 O ATOM 724 CB THR A 45 -17.452 4.004 -3.479 1.00 0.00 C ATOM 725 OG1 THR A 45 -17.231 3.880 -2.077 1.00 0.00 O ATOM 726 CG2 THR A 45 -18.123 2.686 -3.868 1.00 0.00 C ATOM 0 H THR A 45 -15.558 2.288 -3.218 1.00 0.00 H new ATOM 0 HA THR A 45 -16.139 4.542 -5.076 1.00 0.00 H new ATOM 0 HB THR A 45 -18.069 4.838 -3.814 1.00 0.00 H new ATOM 0 HG1 THR A 45 -18.091 3.788 -1.617 1.00 0.00 H new ATOM 0 HG21 THR A 45 -19.118 2.640 -3.425 1.00 0.00 H new ATOM 0 HG22 THR A 45 -18.206 2.626 -4.953 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.524 1.851 -3.503 1.00 0.00 H new ATOM 734 N PRO A 46 -15.362 6.441 -3.630 1.00 0.00 N ATOM 735 CA PRO A 46 -14.594 7.495 -2.987 1.00 0.00 C ATOM 736 C PRO A 46 -15.084 7.737 -1.558 1.00 0.00 C ATOM 737 O PRO A 46 -15.902 6.977 -1.042 1.00 0.00 O ATOM 738 CB PRO A 46 -14.762 8.708 -3.886 1.00 0.00 C ATOM 739 CG PRO A 46 -15.986 8.426 -4.743 1.00 0.00 C ATOM 740 CD PRO A 46 -16.317 6.948 -4.609 1.00 0.00 C ATOM 0 HA PRO A 46 -13.540 7.240 -2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.898 9.615 -3.297 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.878 8.860 -4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.828 9.037 -4.419 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.790 8.681 -5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.344 6.801 -4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -16.217 6.432 -5.564 1.00 0.00 H new ATOM 748 N GLY A 47 -14.562 8.797 -0.960 1.00 0.00 N ATOM 749 CA GLY A 47 -14.936 9.149 0.400 1.00 0.00 C ATOM 750 C GLY A 47 -14.549 8.038 1.379 1.00 0.00 C ATOM 751 O GLY A 47 -14.981 8.043 2.530 1.00 0.00 O ATOM 0 H GLY A 47 -13.883 9.424 -1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.445 10.079 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -16.010 9.326 0.451 1.00 0.00 H new ATOM 755 N GLU A 48 -13.740 7.112 0.885 1.00 0.00 N ATOM 756 CA GLU A 48 -13.292 5.998 1.702 1.00 0.00 C ATOM 757 C GLU A 48 -11.801 5.738 1.474 1.00 0.00 C ATOM 758 O GLU A 48 -11.359 5.599 0.334 1.00 0.00 O ATOM 759 CB GLU A 48 -14.117 4.741 1.417 1.00 0.00 C ATOM 760 CG GLU A 48 -13.577 3.997 0.193 1.00 0.00 C ATOM 761 CD GLU A 48 -12.510 2.979 0.597 1.00 0.00 C ATOM 762 OE1 GLU A 48 -12.891 1.989 1.259 1.00 0.00 O ATOM 763 OE2 GLU A 48 -11.336 3.213 0.235 1.00 0.00 O ATOM 0 H GLU A 48 -13.384 7.111 -0.071 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.440 6.260 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.096 4.083 2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.159 5.015 1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.395 3.489 -0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.154 4.711 -0.514 1.00 0.00 H new ATOM 770 N THR A 49 -11.067 5.681 2.576 1.00 0.00 N ATOM 771 CA THR A 49 -9.636 5.442 2.510 1.00 0.00 C ATOM 772 C THR A 49 -9.355 3.954 2.291 1.00 0.00 C ATOM 773 O THR A 49 -10.184 3.106 2.616 1.00 0.00 O ATOM 774 CB THR A 49 -9.004 5.998 3.787 1.00 0.00 C ATOM 775 OG1 THR A 49 -9.408 5.083 4.802 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.625 7.329 4.216 1.00 0.00 C ATOM 0 H THR A 49 -11.437 5.796 3.519 1.00 0.00 H new ATOM 0 HA THR A 49 -9.188 5.955 1.659 1.00 0.00 H new ATOM 0 HB THR A 49 -7.933 6.130 3.634 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.616 4.726 5.255 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.140 7.680 5.127 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.487 8.066 3.425 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.690 7.190 4.402 1.00 0.00 H new ATOM 784 N ALA A 50 -8.180 3.681 1.740 1.00 0.00 N ATOM 785 CA ALA A 50 -7.778 2.310 1.475 1.00 0.00 C ATOM 786 C ALA A 50 -6.558 1.965 2.331 1.00 0.00 C ATOM 787 O ALA A 50 -5.811 2.853 2.739 1.00 0.00 O ATOM 788 CB ALA A 50 -7.508 2.138 -0.021 1.00 0.00 C ATOM 0 H ALA A 50 -7.494 4.386 1.470 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.575 1.618 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.206 1.110 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.414 2.366 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.711 2.816 -0.327 1.00 0.00 H new ATOM 794 N HIS A 51 -6.394 0.674 2.578 1.00 0.00 N ATOM 795 CA HIS A 51 -5.277 0.201 3.378 1.00 0.00 C ATOM 796 C HIS A 51 -4.846 -1.184 2.890 1.00 0.00 C ATOM 797 O HIS A 51 -5.401 -2.195 3.317 1.00 0.00 O ATOM 798 CB HIS A 51 -5.628 0.223 4.868 1.00 0.00 C ATOM 799 CG HIS A 51 -6.645 1.274 5.244 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.905 0.961 5.723 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.575 2.635 5.207 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.556 2.090 5.960 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.730 3.127 5.638 1.00 0.00 N ATOM 0 H HIS A 51 -7.016 -0.059 2.238 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.427 0.872 3.255 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.010 -0.757 5.155 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.717 0.391 5.443 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -8.271 0.020 5.869 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.724 3.215 4.882 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.563 2.175 6.341 1.00 0.00 H new ATOM 812 N VAL A 52 -3.862 -1.183 2.004 1.00 0.00 N ATOM 813 CA VAL A 52 -3.350 -2.427 1.455 1.00 0.00 C ATOM 814 C VAL A 52 -1.946 -2.685 2.006 1.00 0.00 C ATOM 815 O VAL A 52 -1.171 -1.750 2.200 1.00 0.00 O ATOM 816 CB VAL A 52 -3.394 -2.381 -0.074 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.218 -0.948 -0.584 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.341 -3.311 -0.682 1.00 0.00 C ATOM 0 H VAL A 52 -3.406 -0.341 1.653 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.977 -3.265 1.760 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.376 -2.733 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.253 -0.943 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.019 -0.321 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.256 -0.558 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.394 -3.259 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.349 -3.003 -0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.529 -4.335 -0.358 1.00 0.00 H new ATOM 828 N ARG A 53 -1.661 -3.957 2.240 1.00 0.00 N ATOM 829 CA ARG A 53 -0.364 -4.349 2.765 1.00 0.00 C ATOM 830 C ARG A 53 0.618 -4.602 1.619 1.00 0.00 C ATOM 831 O ARG A 53 0.812 -5.744 1.205 1.00 0.00 O ATOM 832 CB ARG A 53 -0.475 -5.611 3.621 1.00 0.00 C ATOM 833 CG ARG A 53 -1.712 -5.558 4.519 1.00 0.00 C ATOM 834 CD ARG A 53 -2.020 -6.935 5.111 1.00 0.00 C ATOM 835 NE ARG A 53 -3.169 -7.544 4.406 1.00 0.00 N ATOM 836 CZ ARG A 53 -3.840 -8.616 4.848 1.00 0.00 C ATOM 837 NH1 ARG A 53 -3.480 -9.205 5.997 1.00 0.00 N ATOM 838 NH2 ARG A 53 -4.870 -9.100 4.142 1.00 0.00 N ATOM 0 H ARG A 53 -2.306 -4.730 2.076 1.00 0.00 H new ATOM 0 HA ARG A 53 0.002 -3.533 3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.527 -6.488 2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.420 -5.718 4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.551 -4.840 5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.568 -5.206 3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.146 -7.581 5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.243 -6.841 6.174 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.469 -7.121 3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.695 -8.837 6.535 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.991 -10.021 6.334 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.144 -8.652 3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.381 -9.916 4.479 1.00 0.00 H new ATOM 852 N VAL A 54 1.210 -3.519 1.138 1.00 0.00 N ATOM 853 CA VAL A 54 2.166 -3.610 0.047 1.00 0.00 C ATOM 854 C VAL A 54 3.549 -3.940 0.614 1.00 0.00 C ATOM 855 O VAL A 54 3.893 -3.506 1.712 1.00 0.00 O ATOM 856 CB VAL A 54 2.148 -2.320 -0.774 1.00 0.00 C ATOM 857 CG1 VAL A 54 3.164 -1.312 -0.232 1.00 0.00 C ATOM 858 CG2 VAL A 54 2.398 -2.609 -2.255 1.00 0.00 C ATOM 0 H VAL A 54 1.046 -2.573 1.484 1.00 0.00 H new ATOM 0 HA VAL A 54 1.893 -4.416 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 54 1.156 -1.878 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.131 -0.403 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.921 -1.071 0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.164 -1.742 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.380 -1.675 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.371 -3.085 -2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.621 -3.274 -2.632 1.00 0.00 H new ATOM 868 N PRO A 55 4.323 -4.725 -0.181 1.00 0.00 N ATOM 869 CA PRO A 55 5.661 -5.118 0.229 1.00 0.00 C ATOM 870 C PRO A 55 6.641 -3.952 0.091 1.00 0.00 C ATOM 871 O PRO A 55 6.621 -3.234 -0.908 1.00 0.00 O ATOM 872 CB PRO A 55 6.014 -6.299 -0.660 1.00 0.00 C ATOM 873 CG PRO A 55 5.061 -6.231 -1.842 1.00 0.00 C ATOM 874 CD PRO A 55 3.948 -5.258 -1.488 1.00 0.00 C ATOM 0 HA PRO A 55 5.713 -5.399 1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.051 -6.242 -0.991 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.902 -7.240 -0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.587 -5.900 -2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.651 -7.217 -2.059 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.865 -4.464 -2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.981 -5.760 -1.448 1.00 0.00 H new ATOM 882 N PHE A 56 7.475 -3.798 1.109 1.00 0.00 N ATOM 883 CA PHE A 56 8.462 -2.731 1.115 1.00 0.00 C ATOM 884 C PHE A 56 9.244 -2.702 -0.200 1.00 0.00 C ATOM 885 O PHE A 56 9.535 -1.630 -0.730 1.00 0.00 O ATOM 886 CB PHE A 56 9.428 -3.021 2.264 1.00 0.00 C ATOM 887 CG PHE A 56 10.169 -1.786 2.780 1.00 0.00 C ATOM 888 CD1 PHE A 56 11.282 -1.342 2.136 1.00 0.00 C ATOM 889 CD2 PHE A 56 9.717 -1.133 3.884 1.00 0.00 C ATOM 890 CE1 PHE A 56 11.969 -0.196 2.615 1.00 0.00 C ATOM 891 CE2 PHE A 56 10.405 0.012 4.363 1.00 0.00 C ATOM 892 CZ PHE A 56 11.516 0.457 3.718 1.00 0.00 C ATOM 0 H PHE A 56 7.488 -4.395 1.936 1.00 0.00 H new ATOM 0 HA PHE A 56 7.968 -1.767 1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.873 -3.469 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.159 -3.759 1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.643 -1.861 1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.834 -1.486 4.396 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.852 0.157 2.103 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.046 0.530 5.240 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.039 1.329 4.082 1.00 0.00 H new ATOM 902 N VAL A 57 9.562 -3.891 -0.689 1.00 0.00 N ATOM 903 CA VAL A 57 10.305 -4.015 -1.931 1.00 0.00 C ATOM 904 C VAL A 57 9.449 -3.493 -3.087 1.00 0.00 C ATOM 905 O VAL A 57 9.970 -3.168 -4.153 1.00 0.00 O ATOM 906 CB VAL A 57 10.757 -5.463 -2.129 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.618 -6.439 -1.825 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.302 -5.679 -3.542 1.00 0.00 C ATOM 0 H VAL A 57 9.319 -4.778 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 57 11.210 -3.408 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 57 11.565 -5.661 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.966 -7.461 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.296 -6.312 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.780 -6.240 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.616 -6.716 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.523 -5.453 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.155 -5.021 -3.707 1.00 0.00 H new ATOM 918 N ASN A 58 8.149 -3.429 -2.837 1.00 0.00 N ATOM 919 CA ASN A 58 7.216 -2.951 -3.843 1.00 0.00 C ATOM 920 C ASN A 58 6.510 -1.697 -3.324 1.00 0.00 C ATOM 921 O ASN A 58 5.527 -1.246 -3.910 1.00 0.00 O ATOM 922 CB ASN A 58 6.147 -4.003 -4.146 1.00 0.00 C ATOM 923 CG ASN A 58 5.459 -3.717 -5.482 1.00 0.00 C ATOM 924 OD1 ASN A 58 4.285 -3.393 -5.547 1.00 0.00 O ATOM 925 ND2 ASN A 58 6.254 -3.855 -6.540 1.00 0.00 N ATOM 0 H ASN A 58 7.720 -3.700 -1.952 1.00 0.00 H new ATOM 0 HA ASN A 58 7.780 -2.737 -4.751 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.603 -4.993 -4.172 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.406 -4.014 -3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.889 -3.687 -7.478 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.228 -4.129 -6.414 1.00 0.00 H new ATOM 932 N VAL A 59 7.041 -1.169 -2.230 1.00 0.00 N ATOM 933 CA VAL A 59 6.473 0.025 -1.626 1.00 0.00 C ATOM 934 C VAL A 59 6.873 1.248 -2.453 1.00 0.00 C ATOM 935 O VAL A 59 6.101 2.199 -2.574 1.00 0.00 O ATOM 936 CB VAL A 59 6.906 0.126 -0.162 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.030 1.587 0.273 1.00 0.00 C ATOM 938 CG2 VAL A 59 5.942 -0.638 0.749 1.00 0.00 C ATOM 0 H VAL A 59 7.857 -1.545 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 59 5.384 -0.026 -1.627 1.00 0.00 H new ATOM 0 HB VAL A 59 7.889 -0.335 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.339 1.631 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.773 2.089 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.067 2.084 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.273 -0.550 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.940 -0.219 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.926 -1.689 0.461 1.00 0.00 H new ATOM 948 N GLN A 60 8.078 1.186 -3.001 1.00 0.00 N ATOM 949 CA GLN A 60 8.588 2.277 -3.812 1.00 0.00 C ATOM 950 C GLN A 60 7.786 2.395 -5.109 1.00 0.00 C ATOM 951 O GLN A 60 7.081 3.381 -5.321 1.00 0.00 O ATOM 952 CB GLN A 60 10.078 2.092 -4.105 1.00 0.00 C ATOM 953 CG GLN A 60 10.745 3.431 -4.426 1.00 0.00 C ATOM 954 CD GLN A 60 11.327 4.071 -3.164 1.00 0.00 C ATOM 955 OE1 GLN A 60 11.045 3.669 -2.048 1.00 0.00 O ATOM 956 NE2 GLN A 60 12.152 5.087 -3.404 1.00 0.00 N ATOM 0 H GLN A 60 8.716 0.396 -2.899 1.00 0.00 H new ATOM 0 HA GLN A 60 8.473 3.204 -3.251 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.567 1.635 -3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.205 1.408 -4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.537 3.280 -5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.017 4.105 -4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.344 5.372 -4.364 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.592 5.581 -2.628 1.00 0.00 H new ATOM 965 N ALA A 61 7.919 1.375 -5.945 1.00 0.00 N ATOM 966 CA ALA A 61 7.213 1.352 -7.215 1.00 0.00 C ATOM 967 C ALA A 61 5.770 1.810 -7.001 1.00 0.00 C ATOM 968 O ALA A 61 5.195 2.481 -7.857 1.00 0.00 O ATOM 969 CB ALA A 61 7.297 -0.052 -7.819 1.00 0.00 C ATOM 0 H ALA A 61 8.505 0.559 -5.768 1.00 0.00 H new ATOM 0 HA ALA A 61 7.674 2.040 -7.923 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.768 -0.070 -8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.342 -0.317 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.841 -0.769 -7.137 1.00 0.00 H new ATOM 975 N VAL A 62 5.225 1.430 -5.855 1.00 0.00 N ATOM 976 CA VAL A 62 3.860 1.794 -5.517 1.00 0.00 C ATOM 977 C VAL A 62 3.804 3.283 -5.173 1.00 0.00 C ATOM 978 O VAL A 62 2.908 3.995 -5.623 1.00 0.00 O ATOM 979 CB VAL A 62 3.343 0.899 -4.389 1.00 0.00 C ATOM 980 CG1 VAL A 62 2.017 1.425 -3.836 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.206 -0.550 -4.857 1.00 0.00 C ATOM 0 H VAL A 62 5.705 0.873 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 62 3.200 1.633 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 62 4.075 0.921 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.671 0.771 -3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.160 2.432 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.274 1.447 -4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.837 -1.164 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.505 -0.599 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.179 -0.922 -5.179 1.00 0.00 H new ATOM 991 N LYS A 63 4.774 3.711 -4.377 1.00 0.00 N ATOM 992 CA LYS A 63 4.845 5.103 -3.968 1.00 0.00 C ATOM 993 C LYS A 63 4.899 5.994 -5.210 1.00 0.00 C ATOM 994 O LYS A 63 4.331 7.084 -5.221 1.00 0.00 O ATOM 995 CB LYS A 63 6.016 5.318 -3.005 1.00 0.00 C ATOM 996 CG LYS A 63 5.700 6.426 -1.998 1.00 0.00 C ATOM 997 CD LYS A 63 6.984 7.010 -1.406 1.00 0.00 C ATOM 998 CE LYS A 63 6.802 7.346 0.076 1.00 0.00 C ATOM 999 NZ LYS A 63 8.049 7.913 0.636 1.00 0.00 N ATOM 0 H LYS A 63 5.516 3.118 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 63 3.949 5.384 -3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.231 4.390 -2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.912 5.578 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.129 7.215 -2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.075 6.029 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.800 6.297 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.265 7.909 -1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.986 8.058 0.196 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.524 6.448 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.908 8.135 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.819 7.221 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.297 8.782 0.121 1.00 0.00 H new ATOM 1013 N VAL A 64 5.587 5.496 -6.227 1.00 0.00 N ATOM 1014 CA VAL A 64 5.723 6.234 -7.472 1.00 0.00 C ATOM 1015 C VAL A 64 4.392 6.201 -8.226 1.00 0.00 C ATOM 1016 O VAL A 64 4.030 7.167 -8.894 1.00 0.00 O ATOM 1017 CB VAL A 64 6.888 5.672 -8.289 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.760 6.059 -9.763 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.231 6.129 -7.716 1.00 0.00 C ATOM 0 H VAL A 64 6.056 4.590 -6.215 1.00 0.00 H new ATOM 0 HA VAL A 64 5.958 7.280 -7.273 1.00 0.00 H new ATOM 0 HB VAL A 64 6.849 4.585 -8.224 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.600 5.647 -10.322 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.828 5.661 -10.164 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.760 7.145 -9.855 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.042 5.715 -8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.284 7.218 -7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.325 5.780 -6.688 1.00 0.00 H new ATOM 1029 N PHE A 65 3.701 5.077 -8.094 1.00 0.00 N ATOM 1030 CA PHE A 65 2.418 4.907 -8.754 1.00 0.00 C ATOM 1031 C PHE A 65 1.399 5.926 -8.245 1.00 0.00 C ATOM 1032 O PHE A 65 0.797 6.654 -9.032 1.00 0.00 O ATOM 1033 CB PHE A 65 1.927 3.498 -8.417 1.00 0.00 C ATOM 1034 CG PHE A 65 0.720 3.046 -9.242 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.749 3.141 -10.598 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.382 2.549 -8.619 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.370 2.722 -11.363 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.502 2.130 -9.384 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.473 2.225 -10.741 1.00 0.00 C ATOM 0 H PHE A 65 4.006 4.276 -7.540 1.00 0.00 H new ATOM 0 HA PHE A 65 2.530 5.053 -9.828 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.744 2.793 -8.571 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.667 3.458 -7.359 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.624 3.536 -11.093 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.405 2.473 -7.542 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.346 2.798 -12.440 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.377 1.736 -8.889 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.325 1.906 -11.324 1.00 0.00 H new ATOM 1049 N LEU A 66 1.234 5.945 -6.930 1.00 0.00 N ATOM 1050 CA LEU A 66 0.298 6.864 -6.305 1.00 0.00 C ATOM 1051 C LEU A 66 0.526 8.272 -6.858 1.00 0.00 C ATOM 1052 O LEU A 66 -0.395 8.890 -7.390 1.00 0.00 O ATOM 1053 CB LEU A 66 0.397 6.776 -4.782 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.237 5.542 -4.137 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.706 4.918 -3.106 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.603 5.877 -3.537 1.00 0.00 C ATOM 0 H LEU A 66 1.733 5.338 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.728 6.589 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.451 6.805 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.070 7.664 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.403 4.796 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.232 4.043 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.633 4.620 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.925 5.647 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.031 4.982 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.487 6.648 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.266 6.240 -4.322 1.00 0.00 H new ATOM 1068 N GLU A 67 1.757 8.738 -6.711 1.00 0.00 N ATOM 1069 CA GLU A 67 2.118 10.062 -7.189 1.00 0.00 C ATOM 1070 C GLU A 67 1.793 10.196 -8.679 1.00 0.00 C ATOM 1071 O GLU A 67 1.243 11.208 -9.108 1.00 0.00 O ATOM 1072 CB GLU A 67 3.596 10.357 -6.922 1.00 0.00 C ATOM 1073 CG GLU A 67 3.783 11.025 -5.558 1.00 0.00 C ATOM 1074 CD GLU A 67 4.182 12.494 -5.718 1.00 0.00 C ATOM 1075 OE1 GLU A 67 5.179 12.737 -6.431 1.00 0.00 O ATOM 1076 OE2 GLU A 67 3.481 13.340 -5.122 1.00 0.00 O ATOM 0 H GLU A 67 2.517 8.223 -6.268 1.00 0.00 H new ATOM 0 HA GLU A 67 1.529 10.798 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.168 9.430 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.989 11.005 -7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.858 10.956 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.549 10.496 -4.992 1.00 0.00 H new ATOM 1083 N SER A 68 2.148 9.160 -9.424 1.00 0.00 N ATOM 1084 CA SER A 68 1.901 9.149 -10.856 1.00 0.00 C ATOM 1085 C SER A 68 0.415 9.386 -11.133 1.00 0.00 C ATOM 1086 O SER A 68 0.061 10.142 -12.035 1.00 0.00 O ATOM 1087 CB SER A 68 2.354 7.830 -11.484 1.00 0.00 C ATOM 1088 OG SER A 68 1.313 6.858 -11.492 1.00 0.00 O ATOM 0 H SER A 68 2.605 8.322 -9.063 1.00 0.00 H new ATOM 0 HA SER A 68 2.481 9.953 -11.308 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.689 8.011 -12.505 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.210 7.441 -10.932 1.00 0.00 H new ATOM 0 HG SER A 68 1.216 6.475 -10.595 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.414 8.724 -10.339 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.854 8.853 -10.487 1.00 0.00 C ATOM 1096 C GLN A 69 -2.350 10.113 -9.775 1.00 0.00 C ATOM 1097 O GLN A 69 -3.553 10.291 -9.588 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.572 7.608 -9.962 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.263 7.381 -8.481 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.141 6.269 -7.903 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -2.666 5.305 -7.323 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -4.445 6.455 -8.091 1.00 0.00 N ATOM 0 H GLN A 69 -0.116 8.097 -9.592 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.084 8.945 -11.548 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.648 7.719 -10.100 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.265 6.736 -10.539 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.212 7.119 -8.361 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.427 8.305 -7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.776 7.284 -8.585 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.114 5.769 -7.741 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.398 10.954 -9.398 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.724 12.193 -8.711 1.00 0.00 C ATOM 1113 C GLY A 70 -2.706 11.943 -7.565 1.00 0.00 C ATOM 1114 O GLY A 70 -3.747 12.594 -7.482 1.00 0.00 O ATOM 0 H GLY A 70 -0.402 10.802 -9.555 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.813 12.647 -8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.157 12.902 -9.417 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.340 10.998 -6.711 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.176 10.655 -5.573 1.00 0.00 C ATOM 1120 C ILE A 71 -2.480 11.095 -4.283 1.00 0.00 C ATOM 1121 O ILE A 71 -1.352 11.583 -4.317 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.534 9.167 -5.602 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.739 8.877 -4.707 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.324 8.305 -5.233 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.548 7.694 -5.243 1.00 0.00 C ATOM 0 H ILE A 71 -1.477 10.460 -6.784 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.125 11.189 -5.622 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.818 8.903 -6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.400 8.661 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.375 9.761 -4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.605 7.252 -5.261 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.519 8.485 -5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.986 8.563 -4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.399 7.509 -4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.906 7.923 -6.247 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.916 6.806 -5.276 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.182 10.906 -3.176 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.646 11.278 -1.878 1.00 0.00 C ATOM 1139 C ALA A 72 -2.791 10.098 -0.914 1.00 0.00 C ATOM 1140 O ALA A 72 -3.899 9.619 -0.676 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.359 12.534 -1.372 1.00 0.00 C ATOM 0 H ALA A 72 -4.117 10.500 -3.151 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.585 11.514 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.957 12.813 -0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.202 13.350 -2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.427 12.334 -1.280 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.656 9.665 -0.386 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.643 8.550 0.546 1.00 0.00 C ATOM 1149 C TYR A 73 -0.820 8.886 1.791 1.00 0.00 C ATOM 1150 O TYR A 73 -0.437 10.037 1.996 1.00 0.00 O ATOM 1151 CB TYR A 73 -0.975 7.389 -0.194 1.00 0.00 C ATOM 1152 CG TYR A 73 0.243 7.799 -1.023 1.00 0.00 C ATOM 1153 CD1 TYR A 73 0.082 8.594 -2.140 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.504 7.373 -0.655 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.230 8.978 -2.920 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.651 7.758 -1.435 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.457 8.542 -2.529 1.00 0.00 C ATOM 1158 OH TYR A 73 3.541 8.907 -3.266 1.00 0.00 O ATOM 0 H TYR A 73 -0.739 10.066 -0.585 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.655 8.311 0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.670 6.636 0.533 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.708 6.920 -0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.904 8.928 -2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.630 6.751 0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.119 9.599 -3.797 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.643 7.432 -1.158 1.00 0.00 H new ATOM 0 HH TYR A 73 3.732 8.214 -3.933 1.00 0.00 H new ATOM 1168 N SER A 74 -0.569 7.860 2.591 1.00 0.00 N ATOM 1169 CA SER A 74 0.202 8.033 3.811 1.00 0.00 C ATOM 1170 C SER A 74 0.669 6.671 4.332 1.00 0.00 C ATOM 1171 O SER A 74 0.177 5.633 3.892 1.00 0.00 O ATOM 1172 CB SER A 74 -0.615 8.758 4.882 1.00 0.00 C ATOM 1173 OG SER A 74 -0.445 10.172 4.815 1.00 0.00 O ATOM 0 H SER A 74 -0.886 6.906 2.418 1.00 0.00 H new ATOM 0 HA SER A 74 1.073 8.646 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.670 8.513 4.761 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.317 8.403 5.868 1.00 0.00 H new ATOM 0 HG SER A 74 -0.402 10.452 3.877 1.00 0.00 H new ATOM 1179 N ILE A 75 1.613 6.720 5.260 1.00 0.00 N ATOM 1180 CA ILE A 75 2.152 5.504 5.844 1.00 0.00 C ATOM 1181 C ILE A 75 1.481 5.254 7.196 1.00 0.00 C ATOM 1182 O ILE A 75 1.430 6.145 8.042 1.00 0.00 O ATOM 1183 CB ILE A 75 3.678 5.577 5.919 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.289 5.721 4.524 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.247 4.373 6.673 1.00 0.00 C ATOM 1186 CD1 ILE A 75 5.516 6.633 4.554 1.00 0.00 C ATOM 0 H ILE A 75 2.019 7.583 5.622 1.00 0.00 H new ATOM 0 HA ILE A 75 1.928 4.645 5.212 1.00 0.00 H new ATOM 0 HB ILE A 75 3.951 6.469 6.483 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.571 4.739 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.546 6.128 3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.334 4.449 6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.847 4.357 7.687 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.966 3.455 6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.931 6.718 3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.226 7.621 4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.267 6.211 5.222 1.00 0.00 H new ATOM 1198 N MET A 76 0.984 4.036 7.357 1.00 0.00 N ATOM 1199 CA MET A 76 0.319 3.656 8.592 1.00 0.00 C ATOM 1200 C MET A 76 1.284 2.939 9.537 1.00 0.00 C ATOM 1201 O MET A 76 1.627 3.463 10.595 1.00 0.00 O ATOM 1202 CB MET A 76 -0.863 2.738 8.274 1.00 0.00 C ATOM 1203 CG MET A 76 -1.804 2.620 9.475 1.00 0.00 C ATOM 1204 SD MET A 76 -3.217 3.689 9.249 1.00 0.00 S ATOM 1205 CE MET A 76 -3.274 4.470 10.854 1.00 0.00 C ATOM 0 H MET A 76 1.029 3.300 6.653 1.00 0.00 H new ATOM 0 HA MET A 76 -0.035 4.561 9.085 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.410 3.128 7.416 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.496 1.750 7.996 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.133 1.587 9.590 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.276 2.890 10.390 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.105 5.174 10.887 1.00 0.00 H new ATOM 0 HE2 MET A 76 -3.412 3.710 11.624 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.340 5.002 11.033 1.00 0.00 H new ATOM 1215 N ILE A 77 1.695 1.750 9.120 1.00 0.00 N ATOM 1216 CA ILE A 77 2.614 0.955 9.916 1.00 0.00 C ATOM 1217 C ILE A 77 3.918 0.760 9.140 1.00 0.00 C ATOM 1218 O ILE A 77 3.901 0.609 7.919 1.00 0.00 O ATOM 1219 CB ILE A 77 1.954 -0.356 10.346 1.00 0.00 C ATOM 1220 CG1 ILE A 77 2.903 -1.192 11.208 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.444 -1.138 9.134 1.00 0.00 C ATOM 1222 CD1 ILE A 77 3.334 -0.418 12.456 1.00 0.00 C ATOM 0 H ILE A 77 1.408 1.318 8.241 1.00 0.00 H new ATOM 0 HA ILE A 77 2.867 1.477 10.839 1.00 0.00 H new ATOM 0 HB ILE A 77 1.087 -0.114 10.962 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.411 -2.119 11.502 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.782 -1.468 10.625 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.979 -2.066 9.469 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.710 -0.538 8.596 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.279 -1.369 8.472 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.008 -1.034 13.052 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.847 0.497 12.158 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.455 -0.165 13.049 1.00 0.00 H new ATOM 1234 N GLU A 78 5.017 0.772 9.880 1.00 0.00 N ATOM 1235 CA GLU A 78 6.327 0.600 9.276 1.00 0.00 C ATOM 1236 C GLU A 78 7.185 -0.339 10.127 1.00 0.00 C ATOM 1237 O GLU A 78 6.675 -1.294 10.711 1.00 0.00 O ATOM 1238 CB GLU A 78 7.023 1.949 9.078 1.00 0.00 C ATOM 1239 CG GLU A 78 7.958 1.910 7.869 1.00 0.00 C ATOM 1240 CD GLU A 78 9.183 2.799 8.095 1.00 0.00 C ATOM 1241 OE1 GLU A 78 8.971 3.974 8.468 1.00 0.00 O ATOM 1242 OE2 GLU A 78 10.304 2.284 7.890 1.00 0.00 O ATOM 0 H GLU A 78 5.027 0.898 10.892 1.00 0.00 H new ATOM 0 HA GLU A 78 6.194 0.149 8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.276 2.731 8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.590 2.205 9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.277 0.884 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.422 2.242 6.980 1.00 0.00 H new