USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 729 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 34 ASN : amide:sc= -4.68! C(o=-4.7!,f=-2.3!) USER MOD Set 1.2: A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HE2:sc= -0.0275 K(o=-0.027,f=-3.4!) USER MOD Single : A 11 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.14) USER MOD Single : A 21 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.55) USER MOD Single : A 24 ASN : amide:sc= -2.05 K(o=-2.1,f=-6.3!) USER MOD Single : A 26 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.54) USER MOD Single : A 29 TYR OH : rot -51:sc= 1.26 USER MOD Single : A 33 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.59) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.34 USER MOD Single : A 42 HIS : no HD1:sc= -0.0522 K(o=-0.052,f=-3.1) USER MOD Single : A 45 MET CE :methyl 179:sc= -1.05 (180deg=-1.07) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -51:sc= 0.698 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 67 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.4!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 90:sc= 0.743 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc=-0.00209 (180deg=-0.0832) USER MOD Single : A 79 HIS : no HE2:sc= -0.386 K(o=-0.39,f=-2.4!) USER MOD Single : A 95 TYR OH : rot 28:sc= 0.279 USER MOD Single : A 98 MET CE :methyl -156:sc= 0 (180deg=-0.555) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -4.762 10.776 -2.789 1.00 0.00 N ATOM 63 CA PHE A 5 -3.498 10.391 -2.149 1.00 0.00 C ATOM 64 C PHE A 5 -3.161 11.402 -1.041 1.00 0.00 C ATOM 65 O PHE A 5 -3.279 12.618 -1.240 1.00 0.00 O ATOM 66 CB PHE A 5 -2.338 10.310 -3.180 1.00 0.00 C ATOM 67 CG PHE A 5 -1.004 9.914 -2.542 1.00 0.00 C ATOM 68 CD1 PHE A 5 -0.852 8.654 -1.959 1.00 0.00 C ATOM 69 CD2 PHE A 5 0.070 10.803 -2.480 1.00 0.00 C ATOM 70 CE1 PHE A 5 0.323 8.301 -1.343 1.00 0.00 C ATOM 71 CE2 PHE A 5 1.252 10.440 -1.866 1.00 0.00 C ATOM 72 CZ PHE A 5 1.375 9.192 -1.296 1.00 0.00 C ATOM 0 HA PHE A 5 -3.618 9.398 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.595 9.586 -3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.227 11.276 -3.672 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.669 7.949 -1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.025 11.786 -2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.424 7.324 -0.894 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.079 11.134 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.298 8.910 -0.811 1.00 0.00 H new ATOM 82 N GLU A 6 -2.759 10.873 0.117 1.00 0.00 N ATOM 83 CA GLU A 6 -2.310 11.653 1.278 1.00 0.00 C ATOM 84 C GLU A 6 -1.195 10.858 2.007 1.00 0.00 C ATOM 85 O GLU A 6 -1.130 9.629 1.860 1.00 0.00 O ATOM 86 CB GLU A 6 -3.519 11.917 2.225 1.00 0.00 C ATOM 87 CG GLU A 6 -4.165 10.634 2.780 1.00 0.00 C ATOM 88 CD GLU A 6 -5.402 10.878 3.654 1.00 0.00 C ATOM 89 OE1 GLU A 6 -5.240 11.268 4.831 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.538 10.647 3.181 1.00 0.00 O ATOM 0 H GLU A 6 -2.735 9.866 0.280 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.910 12.616 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.187 12.536 3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.274 12.488 1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.445 9.992 1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.423 10.091 3.365 1.00 0.00 H new ATOM 97 N PRO A 7 -0.279 11.538 2.766 1.00 0.00 N ATOM 98 CA PRO A 7 0.709 10.851 3.634 1.00 0.00 C ATOM 99 C PRO A 7 0.040 9.892 4.652 1.00 0.00 C ATOM 100 O PRO A 7 -0.645 10.338 5.584 1.00 0.00 O ATOM 101 CB PRO A 7 1.436 12.016 4.351 1.00 0.00 C ATOM 102 CG PRO A 7 1.282 13.181 3.421 1.00 0.00 C ATOM 103 CD PRO A 7 -0.082 13.012 2.784 1.00 0.00 C ATOM 0 HA PRO A 7 1.382 10.212 3.062 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.991 12.223 5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.486 11.782 4.524 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.349 14.126 3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.069 13.188 2.667 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.859 13.513 3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.110 13.433 1.779 1.00 0.00 H new ATOM 111 N GLY A 8 0.208 8.582 4.428 1.00 0.00 N ATOM 112 CA GLY A 8 -0.319 7.532 5.315 1.00 0.00 C ATOM 113 C GLY A 8 -1.420 6.687 4.668 1.00 0.00 C ATOM 114 O GLY A 8 -1.614 5.521 5.049 1.00 0.00 O ATOM 0 H GLY A 8 0.716 8.217 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.499 6.879 5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.711 7.995 6.221 1.00 0.00 H new ATOM 118 N HIS A 9 -2.134 7.255 3.670 1.00 0.00 N ATOM 119 CA HIS A 9 -3.342 6.620 3.093 1.00 0.00 C ATOM 120 C HIS A 9 -3.519 6.956 1.594 1.00 0.00 C ATOM 121 O HIS A 9 -3.264 8.068 1.151 1.00 0.00 O ATOM 122 CB HIS A 9 -4.582 7.075 3.914 1.00 0.00 C ATOM 123 CG HIS A 9 -5.924 6.660 3.359 1.00 0.00 C ATOM 124 ND1 HIS A 9 -6.892 7.565 2.986 1.00 0.00 N ATOM 125 CD2 HIS A 9 -6.460 5.435 3.144 1.00 0.00 C ATOM 126 CE1 HIS A 9 -7.958 6.919 2.573 1.00 0.00 C ATOM 127 NE2 HIS A 9 -7.729 5.622 2.655 1.00 0.00 N ATOM 0 H HIS A 9 -1.895 8.152 3.247 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.231 5.537 3.153 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.490 6.680 4.926 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -4.563 8.162 3.994 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -6.796 8.580 3.024 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.978 4.486 3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.873 7.375 2.223 1.00 0.00 H new ATOM 136 N LEU A 10 -3.976 5.955 0.833 1.00 0.00 N ATOM 137 CA LEU A 10 -4.394 6.095 -0.570 1.00 0.00 C ATOM 138 C LEU A 10 -5.834 5.565 -0.702 1.00 0.00 C ATOM 139 O LEU A 10 -6.190 4.579 -0.059 1.00 0.00 O ATOM 140 CB LEU A 10 -3.424 5.297 -1.488 1.00 0.00 C ATOM 141 CG LEU A 10 -3.777 5.255 -3.013 1.00 0.00 C ATOM 142 CD1 LEU A 10 -3.822 6.673 -3.630 1.00 0.00 C ATOM 143 CD2 LEU A 10 -2.792 4.342 -3.782 1.00 0.00 C ATOM 0 H LEU A 10 -4.068 5.001 1.183 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.364 7.141 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.426 5.723 -1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.374 4.272 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.777 4.831 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.070 6.601 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.579 7.268 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.849 7.150 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.058 4.329 -4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.777 4.723 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.846 3.330 -3.382 1.00 0.00 H new ATOM 155 N HIS A 11 -6.677 6.248 -1.493 1.00 0.00 N ATOM 156 CA HIS A 11 -8.045 5.797 -1.807 1.00 0.00 C ATOM 157 C HIS A 11 -8.237 5.819 -3.336 1.00 0.00 C ATOM 158 O HIS A 11 -8.145 6.883 -3.965 1.00 0.00 O ATOM 159 CB HIS A 11 -9.082 6.715 -1.091 1.00 0.00 C ATOM 160 CG HIS A 11 -10.532 6.323 -1.274 1.00 0.00 C ATOM 161 ND1 HIS A 11 -11.555 7.242 -1.361 1.00 0.00 N ATOM 162 CD2 HIS A 11 -11.128 5.106 -1.334 1.00 0.00 C ATOM 163 CE1 HIS A 11 -12.707 6.610 -1.473 1.00 0.00 C ATOM 164 NE2 HIS A 11 -12.476 5.314 -1.459 1.00 0.00 N ATOM 0 H HIS A 11 -6.429 7.133 -1.935 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.200 4.779 -1.449 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -8.858 6.724 -0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -8.950 7.735 -1.453 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -10.631 4.148 -1.291 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -13.677 7.077 -1.561 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -13.185 4.584 -1.530 1.00 0.00 H new ATOM 173 N LEU A 12 -8.487 4.635 -3.923 1.00 0.00 N ATOM 174 CA LEU A 12 -8.678 4.463 -5.371 1.00 0.00 C ATOM 175 C LEU A 12 -10.072 3.867 -5.653 1.00 0.00 C ATOM 176 O LEU A 12 -10.351 2.712 -5.325 1.00 0.00 O ATOM 177 CB LEU A 12 -7.549 3.569 -6.011 1.00 0.00 C ATOM 178 CG LEU A 12 -7.200 2.191 -5.328 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.463 1.237 -6.304 1.00 0.00 C ATOM 180 CD2 LEU A 12 -6.365 2.381 -4.035 1.00 0.00 C ATOM 0 H LEU A 12 -8.563 3.763 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.610 5.447 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.834 3.364 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.636 4.163 -6.044 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.151 1.734 -5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.240 0.299 -5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.097 1.040 -7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.534 1.701 -6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.147 1.407 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.431 2.888 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.930 2.981 -3.322 1.00 0.00 H new ATOM 192 N VAL A 13 -10.953 4.692 -6.232 1.00 0.00 N ATOM 193 CA VAL A 13 -12.247 4.259 -6.809 1.00 0.00 C ATOM 194 C VAL A 13 -12.205 4.567 -8.310 1.00 0.00 C ATOM 195 O VAL A 13 -11.261 5.239 -8.771 1.00 0.00 O ATOM 196 CB VAL A 13 -13.488 4.981 -6.137 1.00 0.00 C ATOM 197 CG1 VAL A 13 -13.475 4.813 -4.603 1.00 0.00 C ATOM 198 CG2 VAL A 13 -13.572 6.476 -6.521 1.00 0.00 C ATOM 0 H VAL A 13 -10.791 5.695 -6.318 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.380 3.193 -6.623 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.381 4.493 -6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.339 5.320 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.515 3.753 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.561 5.247 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.438 6.928 -6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.666 6.987 -6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.672 6.569 -7.602 1.00 0.00 H new ATOM 307 N GLN A 21 -17.467 0.013 -13.497 1.00 0.00 N ATOM 308 CA GLN A 21 -17.311 -1.115 -12.578 1.00 0.00 C ATOM 309 C GLN A 21 -17.121 -0.570 -11.155 1.00 0.00 C ATOM 310 O GLN A 21 -16.530 0.506 -10.973 1.00 0.00 O ATOM 311 CB GLN A 21 -16.090 -1.966 -13.021 1.00 0.00 C ATOM 312 CG GLN A 21 -15.871 -3.273 -12.234 1.00 0.00 C ATOM 313 CD GLN A 21 -14.647 -4.056 -12.715 1.00 0.00 C ATOM 314 OE1 GLN A 21 -14.278 -4.015 -13.886 1.00 0.00 O ATOM 315 NE2 GLN A 21 -14.012 -4.776 -11.818 1.00 0.00 N ATOM 0 HA GLN A 21 -18.196 -1.751 -12.593 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.205 -2.213 -14.076 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.192 -1.355 -12.933 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.755 -3.039 -11.176 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.758 -3.900 -12.326 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.340 -4.792 -10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.191 -5.319 -12.087 1.00 0.00 H new ATOM 324 N ASP A 22 -17.603 -1.331 -10.157 1.00 0.00 N ATOM 325 CA ASP A 22 -17.637 -0.900 -8.751 1.00 0.00 C ATOM 326 C ASP A 22 -16.323 -1.284 -8.038 1.00 0.00 C ATOM 327 O ASP A 22 -16.315 -2.056 -7.078 1.00 0.00 O ATOM 328 CB ASP A 22 -18.887 -1.521 -8.053 1.00 0.00 C ATOM 329 CG ASP A 22 -19.137 -0.981 -6.626 1.00 0.00 C ATOM 330 OD1 ASP A 22 -19.638 0.158 -6.493 1.00 0.00 O ATOM 331 OD2 ASP A 22 -18.829 -1.682 -5.634 1.00 0.00 O ATOM 0 H ASP A 22 -17.981 -2.267 -10.305 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.722 0.185 -8.697 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -19.768 -1.326 -8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -18.765 -2.603 -8.006 1.00 0.00 H new ATOM 336 N ILE A 23 -15.195 -0.776 -8.554 1.00 0.00 N ATOM 337 CA ILE A 23 -13.892 -0.945 -7.896 1.00 0.00 C ATOM 338 C ILE A 23 -13.684 0.234 -6.935 1.00 0.00 C ATOM 339 O ILE A 23 -13.767 1.405 -7.329 1.00 0.00 O ATOM 340 CB ILE A 23 -12.695 -1.135 -8.921 1.00 0.00 C ATOM 341 CG1 ILE A 23 -12.401 0.128 -9.824 1.00 0.00 C ATOM 342 CG2 ILE A 23 -12.955 -2.384 -9.791 1.00 0.00 C ATOM 343 CD1 ILE A 23 -11.271 1.030 -9.324 1.00 0.00 C ATOM 0 H ILE A 23 -15.159 -0.245 -9.424 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.896 -1.874 -7.327 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.794 -1.270 -8.323 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.156 -0.212 -10.830 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.312 0.721 -9.901 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.133 -2.515 -10.495 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.029 -3.264 -9.152 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.887 -2.256 -10.341 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.145 1.868 -10.009 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.518 1.406 -8.331 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.344 0.459 -9.275 1.00 0.00 H new ATOM 355 N ASN A 24 -13.498 -0.097 -5.655 1.00 0.00 N ATOM 356 CA ASN A 24 -13.301 0.882 -4.583 1.00 0.00 C ATOM 357 C ASN A 24 -12.433 0.242 -3.493 1.00 0.00 C ATOM 358 O ASN A 24 -12.812 -0.749 -2.857 1.00 0.00 O ATOM 359 CB ASN A 24 -14.661 1.407 -4.033 1.00 0.00 C ATOM 360 CG ASN A 24 -15.614 0.314 -3.569 1.00 0.00 C ATOM 361 OD1 ASN A 24 -15.634 -0.047 -2.394 1.00 0.00 O ATOM 362 ND2 ASN A 24 -16.398 -0.229 -4.495 1.00 0.00 N ATOM 0 H ASN A 24 -13.480 -1.064 -5.330 1.00 0.00 H new ATOM 0 HA ASN A 24 -12.784 1.759 -4.972 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.466 2.081 -3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.151 1.994 -4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.047 -0.974 -4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -16.351 0.099 -5.460 1.00 0.00 H new ATOM 369 N ILE A 25 -11.250 0.828 -3.300 1.00 0.00 N ATOM 370 CA ILE A 25 -10.165 0.256 -2.495 1.00 0.00 C ATOM 371 C ILE A 25 -9.540 1.378 -1.673 1.00 0.00 C ATOM 372 O ILE A 25 -9.452 2.514 -2.147 1.00 0.00 O ATOM 373 CB ILE A 25 -9.035 -0.379 -3.404 1.00 0.00 C ATOM 374 CG1 ILE A 25 -9.637 -1.303 -4.511 1.00 0.00 C ATOM 375 CG2 ILE A 25 -7.985 -1.139 -2.549 1.00 0.00 C ATOM 376 CD1 ILE A 25 -8.633 -1.898 -5.475 1.00 0.00 C ATOM 0 H ILE A 25 -11.013 1.733 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.581 -0.529 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.524 0.442 -3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.177 -2.117 -4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.368 -0.730 -5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.222 -1.564 -3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.518 -0.448 -1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.476 -1.940 -1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.152 -2.522 -6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.108 -1.096 -5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.915 -2.505 -4.924 1.00 0.00 H new ATOM 388 N HIS A 26 -9.104 1.069 -0.455 1.00 0.00 N ATOM 389 CA HIS A 26 -8.307 1.990 0.363 1.00 0.00 C ATOM 390 C HIS A 26 -7.096 1.240 0.937 1.00 0.00 C ATOM 391 O HIS A 26 -7.241 0.169 1.540 1.00 0.00 O ATOM 392 CB HIS A 26 -9.173 2.643 1.465 1.00 0.00 C ATOM 393 CG HIS A 26 -9.937 1.685 2.338 1.00 0.00 C ATOM 394 ND1 HIS A 26 -9.367 1.016 3.391 1.00 0.00 N ATOM 395 CD2 HIS A 26 -11.235 1.294 2.311 1.00 0.00 C ATOM 396 CE1 HIS A 26 -10.268 0.270 3.970 1.00 0.00 C ATOM 397 NE2 HIS A 26 -11.409 0.418 3.341 1.00 0.00 N ATOM 0 H HIS A 26 -9.291 0.174 -0.003 1.00 0.00 H new ATOM 0 HA HIS A 26 -7.937 2.805 -0.259 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.527 3.250 2.099 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.883 3.321 0.991 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.988 1.616 1.607 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -10.101 -0.365 4.827 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -12.284 -0.047 3.583 1.00 0.00 H new ATOM 406 N ILE A 27 -5.903 1.812 0.711 1.00 0.00 N ATOM 407 CA ILE A 27 -4.621 1.235 1.110 1.00 0.00 C ATOM 408 C ILE A 27 -4.037 2.078 2.258 1.00 0.00 C ATOM 409 O ILE A 27 -3.882 3.298 2.124 1.00 0.00 O ATOM 410 CB ILE A 27 -3.609 1.177 -0.106 1.00 0.00 C ATOM 411 CG1 ILE A 27 -4.244 0.400 -1.320 1.00 0.00 C ATOM 412 CG2 ILE A 27 -2.253 0.539 0.316 1.00 0.00 C ATOM 413 CD1 ILE A 27 -3.363 0.289 -2.562 1.00 0.00 C ATOM 0 H ILE A 27 -5.807 2.709 0.235 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.781 0.210 1.444 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.407 2.200 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.504 -0.606 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.174 0.895 -1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.580 0.514 -0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.804 1.132 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.424 -0.477 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.894 -0.263 -3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.123 1.287 -2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.442 -0.236 -2.309 1.00 0.00 H new ATOM 425 N ARG A 28 -3.754 1.427 3.387 1.00 0.00 N ATOM 426 CA ARG A 28 -3.109 2.052 4.556 1.00 0.00 C ATOM 427 C ARG A 28 -1.688 1.512 4.690 1.00 0.00 C ATOM 428 O ARG A 28 -1.504 0.317 4.890 1.00 0.00 O ATOM 429 CB ARG A 28 -3.932 1.758 5.850 1.00 0.00 C ATOM 430 CG ARG A 28 -5.025 2.800 6.170 1.00 0.00 C ATOM 431 CD ARG A 28 -4.432 4.148 6.633 1.00 0.00 C ATOM 432 NE ARG A 28 -3.635 4.006 7.870 1.00 0.00 N ATOM 433 CZ ARG A 28 -2.774 4.915 8.364 1.00 0.00 C ATOM 434 NH1 ARG A 28 -2.572 6.080 7.756 1.00 0.00 N ATOM 435 NH2 ARG A 28 -2.130 4.654 9.488 1.00 0.00 N ATOM 0 H ARG A 28 -3.966 0.439 3.523 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.072 3.133 4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.400 0.779 5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.246 1.700 6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.640 2.961 5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.681 2.408 6.947 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.804 4.559 5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.239 4.861 6.802 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.748 3.140 8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.075 6.301 6.896 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.914 6.753 8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.288 3.770 9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.475 5.336 9.871 1.00 0.00 H new ATOM 449 N TYR A 29 -0.691 2.393 4.582 1.00 0.00 N ATOM 450 CA TYR A 29 0.719 2.030 4.766 1.00 0.00 C ATOM 451 C TYR A 29 1.221 2.691 6.053 1.00 0.00 C ATOM 452 O TYR A 29 1.152 3.916 6.204 1.00 0.00 O ATOM 453 CB TYR A 29 1.568 2.410 3.519 1.00 0.00 C ATOM 454 CG TYR A 29 1.441 3.862 3.018 1.00 0.00 C ATOM 455 CD1 TYR A 29 0.397 4.241 2.167 1.00 0.00 C ATOM 456 CD2 TYR A 29 2.373 4.842 3.373 1.00 0.00 C ATOM 457 CE1 TYR A 29 0.286 5.536 1.704 1.00 0.00 C ATOM 458 CE2 TYR A 29 2.259 6.136 2.911 1.00 0.00 C ATOM 459 CZ TYR A 29 1.220 6.474 2.074 1.00 0.00 C ATOM 460 OH TYR A 29 1.095 7.761 1.633 1.00 0.00 O ATOM 0 H TYR A 29 -0.837 3.379 4.365 1.00 0.00 H new ATOM 0 HA TYR A 29 0.821 0.950 4.867 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.616 2.219 3.749 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.293 1.742 2.703 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.336 3.506 1.867 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.197 4.581 4.021 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.531 5.811 1.054 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.983 6.882 3.205 1.00 0.00 H new ATOM 0 HH TYR A 29 0.978 7.763 0.660 1.00 0.00 H new ATOM 470 N GLU A 30 1.662 1.853 7.005 1.00 0.00 N ATOM 471 CA GLU A 30 2.072 2.281 8.348 1.00 0.00 C ATOM 472 C GLU A 30 3.523 1.852 8.597 1.00 0.00 C ATOM 473 O GLU A 30 3.814 0.651 8.667 1.00 0.00 O ATOM 474 CB GLU A 30 1.147 1.633 9.422 1.00 0.00 C ATOM 475 CG GLU A 30 -0.366 1.810 9.179 1.00 0.00 C ATOM 476 CD GLU A 30 -1.224 1.288 10.346 1.00 0.00 C ATOM 477 OE1 GLU A 30 -1.165 0.078 10.648 1.00 0.00 O ATOM 478 OE2 GLU A 30 -1.982 2.079 10.949 1.00 0.00 O ATOM 0 H GLU A 30 1.744 0.847 6.860 1.00 0.00 H new ATOM 0 HA GLU A 30 1.991 3.366 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.368 0.567 9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.394 2.057 10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.582 2.866 9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.646 1.286 8.265 1.00 0.00 H new ATOM 485 N VAL A 31 4.425 2.828 8.727 1.00 0.00 N ATOM 486 CA VAL A 31 5.839 2.567 9.030 1.00 0.00 C ATOM 487 C VAL A 31 6.025 2.295 10.533 1.00 0.00 C ATOM 488 O VAL A 31 5.681 3.132 11.378 1.00 0.00 O ATOM 489 CB VAL A 31 6.744 3.759 8.559 1.00 0.00 C ATOM 490 CG1 VAL A 31 8.249 3.484 8.824 1.00 0.00 C ATOM 491 CG2 VAL A 31 6.483 4.056 7.067 1.00 0.00 C ATOM 0 H VAL A 31 4.200 3.818 8.626 1.00 0.00 H new ATOM 0 HA VAL A 31 6.148 1.678 8.480 1.00 0.00 H new ATOM 0 HB VAL A 31 6.480 4.639 9.145 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.840 4.334 8.483 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.409 3.336 9.892 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.556 2.589 8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.114 4.885 6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.715 3.171 6.474 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.435 4.322 6.927 1.00 0.00 H new ATOM 501 N ARG A 32 6.566 1.115 10.835 1.00 0.00 N ATOM 502 CA ARG A 32 6.794 0.627 12.205 1.00 0.00 C ATOM 503 C ARG A 32 8.152 -0.102 12.234 1.00 0.00 C ATOM 504 O ARG A 32 8.697 -0.444 11.183 1.00 0.00 O ATOM 505 CB ARG A 32 5.641 -0.331 12.607 1.00 0.00 C ATOM 506 CG ARG A 32 5.657 -0.823 14.081 1.00 0.00 C ATOM 507 CD ARG A 32 4.892 -2.138 14.262 1.00 0.00 C ATOM 508 NE ARG A 32 4.906 -2.631 15.651 1.00 0.00 N ATOM 509 CZ ARG A 32 5.008 -3.926 16.016 1.00 0.00 C ATOM 510 NH1 ARG A 32 5.215 -4.872 15.104 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.910 -4.264 17.294 1.00 0.00 N ATOM 0 H ARG A 32 6.867 0.452 10.120 1.00 0.00 H new ATOM 0 HA ARG A 32 6.812 1.453 12.916 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.693 0.174 12.422 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.672 -1.202 11.952 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.689 -0.957 14.406 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.218 -0.058 14.722 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.859 -1.997 13.944 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.326 -2.896 13.610 1.00 0.00 H new ATOM 0 HE ARG A 32 4.833 -1.938 16.396 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.298 -4.621 14.119 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.291 -5.848 15.390 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.757 -3.545 18.001 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.987 -5.243 17.570 1.00 0.00 H new ATOM 525 N GLN A 33 8.713 -0.313 13.433 1.00 0.00 N ATOM 526 CA GLN A 33 9.990 -1.022 13.602 1.00 0.00 C ATOM 527 C GLN A 33 9.745 -2.390 14.290 1.00 0.00 C ATOM 528 O GLN A 33 9.240 -2.443 15.413 1.00 0.00 O ATOM 529 CB GLN A 33 10.990 -0.161 14.435 1.00 0.00 C ATOM 530 CG GLN A 33 11.165 1.316 13.983 1.00 0.00 C ATOM 531 CD GLN A 33 11.735 1.491 12.569 1.00 0.00 C ATOM 532 OE1 GLN A 33 12.951 1.525 12.375 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.866 1.654 11.582 1.00 0.00 N ATOM 0 H GLN A 33 8.297 0.001 14.310 1.00 0.00 H new ATOM 0 HA GLN A 33 10.429 -1.195 12.620 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.662 -0.165 15.474 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.966 -0.646 14.407 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.197 1.814 14.034 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.822 1.823 14.690 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.865 1.621 11.773 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.198 1.813 10.631 1.00 0.00 H new ATOM 542 N ASN A 34 10.068 -3.486 13.581 1.00 0.00 N ATOM 543 CA ASN A 34 10.063 -4.870 14.137 1.00 0.00 C ATOM 544 C ASN A 34 11.504 -5.319 14.440 1.00 0.00 C ATOM 545 O ASN A 34 12.436 -4.939 13.734 1.00 0.00 O ATOM 546 CB ASN A 34 9.370 -5.899 13.181 1.00 0.00 C ATOM 547 CG ASN A 34 10.102 -6.229 11.856 1.00 0.00 C ATOM 548 OD1 ASN A 34 10.030 -7.357 11.375 1.00 0.00 O ATOM 549 ND2 ASN A 34 10.788 -5.281 11.232 1.00 0.00 N ATOM 0 H ASN A 34 10.343 -3.447 12.600 1.00 0.00 H new ATOM 0 HA ASN A 34 9.481 -4.846 15.058 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.227 -6.830 13.730 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.378 -5.519 12.935 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.257 -5.488 10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.846 -4.345 11.634 1.00 0.00 H new ATOM 556 N ALA A 35 11.674 -6.141 15.482 1.00 0.00 N ATOM 557 CA ALA A 35 12.996 -6.642 15.914 1.00 0.00 C ATOM 558 C ALA A 35 13.583 -7.655 14.901 1.00 0.00 C ATOM 559 O ALA A 35 14.798 -7.885 14.873 1.00 0.00 O ATOM 560 CB ALA A 35 12.877 -7.267 17.315 1.00 0.00 C ATOM 0 H ALA A 35 10.901 -6.482 16.054 1.00 0.00 H new ATOM 0 HA ALA A 35 13.687 -5.800 15.956 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.852 -7.636 17.633 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.526 -6.514 18.021 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.168 -8.094 17.285 1.00 0.00 H new ATOM 566 N GLU A 36 12.697 -8.240 14.073 1.00 0.00 N ATOM 567 CA GLU A 36 13.059 -9.245 13.063 1.00 0.00 C ATOM 568 C GLU A 36 13.862 -8.623 11.906 1.00 0.00 C ATOM 569 O GLU A 36 14.965 -9.083 11.590 1.00 0.00 O ATOM 570 CB GLU A 36 11.769 -9.932 12.526 1.00 0.00 C ATOM 571 CG GLU A 36 12.000 -11.035 11.468 1.00 0.00 C ATOM 572 CD GLU A 36 12.867 -12.200 11.982 1.00 0.00 C ATOM 573 OE1 GLU A 36 12.376 -13.001 12.806 1.00 0.00 O ATOM 574 OE2 GLU A 36 14.043 -12.321 11.574 1.00 0.00 O ATOM 0 H GLU A 36 11.700 -8.024 14.089 1.00 0.00 H new ATOM 0 HA GLU A 36 13.698 -9.991 13.536 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.231 -10.367 13.368 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.123 -9.168 12.095 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.035 -11.425 11.143 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.477 -10.595 10.592 1.00 0.00 H new ATOM 581 N SER A 37 13.313 -7.561 11.292 1.00 0.00 N ATOM 582 CA SER A 37 13.857 -6.982 10.040 1.00 0.00 C ATOM 583 C SER A 37 14.294 -5.514 10.209 1.00 0.00 C ATOM 584 O SER A 37 14.771 -4.904 9.250 1.00 0.00 O ATOM 585 CB SER A 37 12.782 -7.097 8.930 1.00 0.00 C ATOM 586 OG SER A 37 12.264 -8.415 8.848 1.00 0.00 O ATOM 0 H SER A 37 12.485 -7.079 11.642 1.00 0.00 H new ATOM 0 HA SER A 37 14.751 -7.543 9.767 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.971 -6.397 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.215 -6.814 7.971 1.00 0.00 H new ATOM 0 HG SER A 37 11.587 -8.457 8.141 1.00 0.00 H new ATOM 592 N GLY A 38 14.153 -4.962 11.427 1.00 0.00 N ATOM 593 CA GLY A 38 14.441 -3.542 11.677 1.00 0.00 C ATOM 594 C GLY A 38 13.247 -2.672 11.307 1.00 0.00 C ATOM 595 O GLY A 38 12.171 -2.834 11.872 1.00 0.00 O ATOM 0 H GLY A 38 13.842 -5.477 12.250 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.690 -3.397 12.728 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.312 -3.236 11.098 1.00 0.00 H new ATOM 599 N ALA A 39 13.431 -1.757 10.357 1.00 0.00 N ATOM 600 CA ALA A 39 12.329 -0.963 9.791 1.00 0.00 C ATOM 601 C ALA A 39 11.479 -1.822 8.846 1.00 0.00 C ATOM 602 O ALA A 39 12.019 -2.704 8.161 1.00 0.00 O ATOM 603 CB ALA A 39 12.884 0.256 9.043 1.00 0.00 C ATOM 0 H ALA A 39 14.343 -1.541 9.955 1.00 0.00 H new ATOM 0 HA ALA A 39 11.696 -0.616 10.608 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.059 0.835 8.629 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.454 0.878 9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.534 -0.078 8.235 1.00 0.00 H new ATOM 609 N TYR A 40 10.157 -1.574 8.829 1.00 0.00 N ATOM 610 CA TYR A 40 9.242 -2.194 7.849 1.00 0.00 C ATOM 611 C TYR A 40 7.959 -1.361 7.709 1.00 0.00 C ATOM 612 O TYR A 40 7.725 -0.427 8.485 1.00 0.00 O ATOM 613 CB TYR A 40 8.913 -3.675 8.226 1.00 0.00 C ATOM 614 CG TYR A 40 7.833 -3.898 9.300 1.00 0.00 C ATOM 615 CD1 TYR A 40 8.017 -3.479 10.616 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.631 -4.551 8.989 1.00 0.00 C ATOM 617 CE1 TYR A 40 7.055 -3.708 11.578 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.669 -4.771 9.950 1.00 0.00 C ATOM 619 CZ TYR A 40 5.885 -4.347 11.240 1.00 0.00 C ATOM 620 OH TYR A 40 4.937 -4.590 12.205 1.00 0.00 O ATOM 0 H TYR A 40 9.695 -0.945 9.486 1.00 0.00 H new ATOM 0 HA TYR A 40 9.748 -2.211 6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.602 -4.194 7.320 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.833 -4.151 8.566 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.928 -2.966 10.888 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.457 -4.887 7.978 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.221 -3.386 12.595 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.749 -5.274 9.691 1.00 0.00 H new ATOM 0 HH TYR A 40 4.170 -5.048 11.802 1.00 0.00 H new ATOM 630 N VAL A 41 7.141 -1.699 6.701 1.00 0.00 N ATOM 631 CA VAL A 41 5.827 -1.075 6.488 1.00 0.00 C ATOM 632 C VAL A 41 4.742 -2.166 6.479 1.00 0.00 C ATOM 633 O VAL A 41 4.895 -3.209 5.829 1.00 0.00 O ATOM 634 CB VAL A 41 5.758 -0.260 5.139 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.451 0.564 5.051 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.988 0.653 4.953 1.00 0.00 C ATOM 0 H VAL A 41 7.372 -2.413 6.010 1.00 0.00 H new ATOM 0 HA VAL A 41 5.662 -0.372 7.304 1.00 0.00 H new ATOM 0 HB VAL A 41 5.762 -0.988 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.431 1.115 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.594 -0.108 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.406 1.266 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.899 1.196 4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.042 1.364 5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.893 0.046 4.938 1.00 0.00 H new ATOM 646 N HIS A 42 3.660 -1.916 7.214 1.00 0.00 N ATOM 647 CA HIS A 42 2.461 -2.757 7.223 1.00 0.00 C ATOM 648 C HIS A 42 1.435 -2.145 6.258 1.00 0.00 C ATOM 649 O HIS A 42 1.183 -0.941 6.306 1.00 0.00 O ATOM 650 CB HIS A 42 1.896 -2.848 8.665 1.00 0.00 C ATOM 651 CG HIS A 42 0.467 -3.336 8.762 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.095 -4.646 8.576 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.681 -2.663 9.004 1.00 0.00 C ATOM 654 CE1 HIS A 42 -1.210 -4.751 8.698 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.700 -3.566 8.962 1.00 0.00 N ATOM 0 H HIS A 42 3.589 -1.108 7.832 1.00 0.00 H new ATOM 0 HA HIS A 42 2.698 -3.770 6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.532 -3.515 9.247 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.960 -1.863 9.127 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.773 -1.604 9.195 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.782 -5.662 8.597 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.686 -3.353 9.112 1.00 0.00 H new ATOM 664 N PHE A 43 0.834 -2.979 5.401 1.00 0.00 N ATOM 665 CA PHE A 43 -0.136 -2.519 4.384 1.00 0.00 C ATOM 666 C PHE A 43 -1.502 -3.181 4.622 1.00 0.00 C ATOM 667 O PHE A 43 -1.569 -4.382 4.894 1.00 0.00 O ATOM 668 CB PHE A 43 0.362 -2.833 2.953 1.00 0.00 C ATOM 669 CG PHE A 43 1.723 -2.224 2.590 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.817 -0.941 2.051 1.00 0.00 C ATOM 671 CD2 PHE A 43 2.905 -2.950 2.761 1.00 0.00 C ATOM 672 CE1 PHE A 43 3.042 -0.407 1.691 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.125 -2.413 2.407 1.00 0.00 C ATOM 674 CZ PHE A 43 4.196 -1.144 1.871 1.00 0.00 C ATOM 0 H PHE A 43 1.000 -3.985 5.387 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.238 -1.438 4.478 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.422 -3.915 2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.381 -2.475 2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.920 -0.355 1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.862 -3.946 3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.095 0.586 1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.028 -2.988 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.153 -0.727 1.592 1.00 0.00 H new ATOM 684 N ASP A 44 -2.573 -2.377 4.548 1.00 0.00 N ATOM 685 CA ASP A 44 -3.974 -2.843 4.610 1.00 0.00 C ATOM 686 C ASP A 44 -4.658 -2.540 3.275 1.00 0.00 C ATOM 687 O ASP A 44 -4.436 -1.476 2.701 1.00 0.00 O ATOM 688 CB ASP A 44 -4.759 -2.116 5.735 1.00 0.00 C ATOM 689 CG ASP A 44 -4.161 -2.325 7.130 1.00 0.00 C ATOM 690 OD1 ASP A 44 -4.379 -3.407 7.720 1.00 0.00 O ATOM 691 OD2 ASP A 44 -3.474 -1.415 7.649 1.00 0.00 O ATOM 0 H ASP A 44 -2.493 -1.366 4.441 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.969 -3.913 4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.787 -1.049 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.790 -2.469 5.734 1.00 0.00 H new ATOM 696 N MET A 45 -5.481 -3.477 2.787 1.00 0.00 N ATOM 697 CA MET A 45 -6.378 -3.249 1.639 1.00 0.00 C ATOM 698 C MET A 45 -7.757 -3.830 1.983 1.00 0.00 C ATOM 699 O MET A 45 -7.860 -4.988 2.356 1.00 0.00 O ATOM 700 CB MET A 45 -5.815 -3.899 0.336 1.00 0.00 C ATOM 701 CG MET A 45 -4.475 -3.305 -0.146 1.00 0.00 C ATOM 702 SD MET A 45 -3.899 -3.989 -1.716 1.00 0.00 S ATOM 703 CE MET A 45 -5.203 -3.496 -2.844 1.00 0.00 C ATOM 0 H MET A 45 -5.546 -4.418 3.176 1.00 0.00 H new ATOM 0 HA MET A 45 -6.458 -2.179 1.450 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.685 -4.968 0.505 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.553 -3.790 -0.458 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.582 -2.225 -0.248 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.716 -3.479 0.616 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.963 -3.839 -3.850 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.147 -3.939 -2.525 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.293 -2.410 -2.843 1.00 0.00 H new ATOM 713 N ASP A 46 -8.806 -3.022 1.817 1.00 0.00 N ATOM 714 CA ASP A 46 -10.197 -3.393 2.176 1.00 0.00 C ATOM 715 C ASP A 46 -11.171 -2.501 1.394 1.00 0.00 C ATOM 716 O ASP A 46 -10.786 -1.429 0.898 1.00 0.00 O ATOM 717 CB ASP A 46 -10.416 -3.299 3.733 1.00 0.00 C ATOM 718 CG ASP A 46 -11.894 -3.146 4.195 1.00 0.00 C ATOM 719 OD1 ASP A 46 -12.693 -4.081 4.015 1.00 0.00 O ATOM 720 OD2 ASP A 46 -12.268 -2.071 4.717 1.00 0.00 O ATOM 0 H ASP A 46 -8.725 -2.083 1.428 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.388 -4.430 1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.000 -4.194 4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.846 -2.451 4.112 1.00 0.00 H new ATOM 725 N GLY A 47 -12.406 -2.983 1.247 1.00 0.00 N ATOM 726 CA GLY A 47 -13.482 -2.247 0.605 1.00 0.00 C ATOM 727 C GLY A 47 -14.466 -3.211 -0.011 1.00 0.00 C ATOM 728 O GLY A 47 -14.934 -4.127 0.673 1.00 0.00 O ATOM 0 H GLY A 47 -12.685 -3.907 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.987 -1.614 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.076 -1.588 -0.162 1.00 0.00 H new ATOM 732 N GLU A 48 -14.744 -3.033 -1.306 1.00 0.00 N ATOM 733 CA GLU A 48 -15.573 -3.952 -2.100 1.00 0.00 C ATOM 734 C GLU A 48 -15.256 -3.737 -3.576 1.00 0.00 C ATOM 735 O GLU A 48 -14.689 -2.702 -3.947 1.00 0.00 O ATOM 736 CB GLU A 48 -17.084 -3.784 -1.779 1.00 0.00 C ATOM 737 CG GLU A 48 -17.679 -2.403 -2.086 1.00 0.00 C ATOM 738 CD GLU A 48 -19.059 -2.186 -1.454 1.00 0.00 C ATOM 739 OE1 GLU A 48 -19.118 -1.881 -0.243 1.00 0.00 O ATOM 740 OE2 GLU A 48 -20.079 -2.318 -2.153 1.00 0.00 O ATOM 0 H GLU A 48 -14.396 -2.237 -1.841 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.336 -4.983 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -17.642 -4.533 -2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.238 -3.999 -0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.997 -1.633 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.758 -2.280 -3.166 1.00 0.00 H new ATOM 747 N ILE A 49 -15.639 -4.694 -4.441 1.00 0.00 N ATOM 748 CA ILE A 49 -15.146 -4.749 -5.829 1.00 0.00 C ATOM 749 C ILE A 49 -16.228 -5.564 -6.563 1.00 0.00 C ATOM 750 O ILE A 49 -16.347 -6.772 -6.296 1.00 0.00 O ATOM 751 CB ILE A 49 -13.701 -5.376 -6.052 1.00 0.00 C ATOM 752 CG1 ILE A 49 -12.558 -4.464 -5.473 1.00 0.00 C ATOM 753 CG2 ILE A 49 -13.455 -5.619 -7.562 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.134 -4.965 -5.698 1.00 0.00 C ATOM 0 H ILE A 49 -16.290 -5.442 -4.202 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.999 -3.735 -6.201 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.675 -6.322 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.649 -3.473 -5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.718 -4.349 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.463 -6.048 -7.705 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.207 -6.307 -7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.521 -4.672 -8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.427 -4.261 -5.259 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.013 -5.941 -5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.943 -5.051 -6.768 1.00 0.00 H new ATOM 766 N ASP A 50 -17.041 -4.888 -7.406 1.00 0.00 N ATOM 767 CA ASP A 50 -18.306 -5.438 -7.959 1.00 0.00 C ATOM 768 C ASP A 50 -19.307 -5.649 -6.786 1.00 0.00 C ATOM 769 O ASP A 50 -20.045 -6.630 -6.720 1.00 0.00 O ATOM 770 CB ASP A 50 -18.044 -6.741 -8.793 1.00 0.00 C ATOM 771 CG ASP A 50 -19.279 -7.307 -9.522 1.00 0.00 C ATOM 772 OD1 ASP A 50 -19.708 -6.710 -10.526 1.00 0.00 O ATOM 773 OD2 ASP A 50 -19.839 -8.342 -9.085 1.00 0.00 O ATOM 0 H ASP A 50 -16.840 -3.940 -7.725 1.00 0.00 H new ATOM 0 HA ASP A 50 -18.750 -4.733 -8.662 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.269 -6.533 -9.531 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.651 -7.508 -8.126 1.00 0.00 H new ATOM 778 N GLY A 51 -19.299 -4.689 -5.840 1.00 0.00 N ATOM 779 CA GLY A 51 -20.164 -4.734 -4.649 1.00 0.00 C ATOM 780 C GLY A 51 -19.750 -5.729 -3.561 1.00 0.00 C ATOM 781 O GLY A 51 -20.210 -5.612 -2.420 1.00 0.00 O ATOM 0 H GLY A 51 -18.697 -3.867 -5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.197 -3.737 -4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.178 -4.975 -4.969 1.00 0.00 H new ATOM 785 N LYS A 52 -18.900 -6.714 -3.897 1.00 0.00 N ATOM 786 CA LYS A 52 -18.529 -7.812 -2.989 1.00 0.00 C ATOM 787 C LYS A 52 -17.316 -7.409 -2.133 1.00 0.00 C ATOM 788 O LYS A 52 -16.272 -7.060 -2.693 1.00 0.00 O ATOM 789 CB LYS A 52 -18.206 -9.071 -3.823 1.00 0.00 C ATOM 790 CG LYS A 52 -19.365 -9.558 -4.726 1.00 0.00 C ATOM 791 CD LYS A 52 -20.654 -9.907 -3.931 1.00 0.00 C ATOM 792 CE LYS A 52 -21.796 -10.391 -4.847 1.00 0.00 C ATOM 793 NZ LYS A 52 -23.037 -10.707 -4.088 1.00 0.00 N ATOM 0 H LYS A 52 -18.449 -6.771 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.361 -8.027 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.337 -8.864 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.926 -9.878 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -19.596 -8.785 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -19.039 -10.437 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -20.427 -10.681 -3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.984 -9.029 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -22.013 -9.623 -5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -21.471 -11.278 -5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -23.775 -11.028 -4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -22.839 -11.459 -3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -23.365 -9.856 -3.589 1.00 0.00 H new ATOM 807 N PRO A 53 -17.431 -7.449 -0.763 1.00 0.00 N ATOM 808 CA PRO A 53 -16.376 -6.942 0.147 1.00 0.00 C ATOM 809 C PRO A 53 -15.123 -7.842 0.196 1.00 0.00 C ATOM 810 O PRO A 53 -15.202 -9.054 -0.043 1.00 0.00 O ATOM 811 CB PRO A 53 -17.096 -6.872 1.516 1.00 0.00 C ATOM 812 CG PRO A 53 -18.133 -7.953 1.449 1.00 0.00 C ATOM 813 CD PRO A 53 -18.588 -8.005 -0.001 1.00 0.00 C ATOM 0 HA PRO A 53 -15.978 -5.982 -0.183 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.401 -7.039 2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.551 -5.895 1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.719 -8.911 1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -18.969 -7.734 2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.817 -9.025 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.490 -7.414 -0.158 1.00 0.00 H new ATOM 821 N PHE A 54 -13.973 -7.222 0.502 1.00 0.00 N ATOM 822 CA PHE A 54 -12.684 -7.922 0.674 1.00 0.00 C ATOM 823 C PHE A 54 -11.884 -7.224 1.782 1.00 0.00 C ATOM 824 O PHE A 54 -12.001 -6.008 1.948 1.00 0.00 O ATOM 825 CB PHE A 54 -11.870 -7.952 -0.661 1.00 0.00 C ATOM 826 CG PHE A 54 -11.256 -6.611 -1.099 1.00 0.00 C ATOM 827 CD1 PHE A 54 -12.050 -5.593 -1.614 1.00 0.00 C ATOM 828 CD2 PHE A 54 -9.880 -6.380 -0.983 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.497 -4.386 -1.992 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.328 -5.175 -1.367 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.138 -4.178 -1.870 1.00 0.00 C ATOM 0 H PHE A 54 -13.908 -6.213 0.639 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.876 -8.957 0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.067 -8.682 -0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.525 -8.308 -1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.114 -5.748 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.241 -7.156 -0.587 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.129 -3.603 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.264 -5.013 -1.274 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.708 -3.233 -2.169 1.00 0.00 H new ATOM 841 N SER A 55 -11.096 -7.993 2.548 1.00 0.00 N ATOM 842 CA SER A 55 -10.199 -7.451 3.586 1.00 0.00 C ATOM 843 C SER A 55 -8.922 -8.305 3.655 1.00 0.00 C ATOM 844 O SER A 55 -8.974 -9.497 3.992 1.00 0.00 O ATOM 845 CB SER A 55 -10.906 -7.421 4.958 1.00 0.00 C ATOM 846 OG SER A 55 -12.097 -6.662 4.927 1.00 0.00 O ATOM 0 H SER A 55 -11.061 -9.009 2.467 1.00 0.00 H new ATOM 0 HA SER A 55 -9.932 -6.427 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.134 -8.440 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.230 -7.003 5.704 1.00 0.00 H new ATOM 0 HG SER A 55 -11.916 -5.785 4.529 1.00 0.00 H new ATOM 852 N ASP A 56 -7.793 -7.686 3.299 1.00 0.00 N ATOM 853 CA ASP A 56 -6.463 -8.320 3.234 1.00 0.00 C ATOM 854 C ASP A 56 -5.439 -7.404 3.923 1.00 0.00 C ATOM 855 O ASP A 56 -5.684 -6.199 4.088 1.00 0.00 O ATOM 856 CB ASP A 56 -6.035 -8.538 1.750 1.00 0.00 C ATOM 857 CG ASP A 56 -6.987 -9.446 0.949 1.00 0.00 C ATOM 858 OD1 ASP A 56 -8.098 -8.991 0.593 1.00 0.00 O ATOM 859 OD2 ASP A 56 -6.627 -10.611 0.648 1.00 0.00 O ATOM 0 H ASP A 56 -7.773 -6.700 3.039 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.505 -9.287 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.972 -7.569 1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.035 -8.971 1.731 1.00 0.00 H new ATOM 864 N SER A 57 -4.297 -7.981 4.316 1.00 0.00 N ATOM 865 CA SER A 57 -3.155 -7.222 4.842 1.00 0.00 C ATOM 866 C SER A 57 -1.849 -7.974 4.557 1.00 0.00 C ATOM 867 O SER A 57 -1.787 -9.200 4.705 1.00 0.00 O ATOM 868 CB SER A 57 -3.329 -6.938 6.359 1.00 0.00 C ATOM 869 OG SER A 57 -3.508 -8.125 7.118 1.00 0.00 O ATOM 0 H SER A 57 -4.138 -8.988 4.278 1.00 0.00 H new ATOM 0 HA SER A 57 -3.110 -6.258 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.454 -6.403 6.728 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.188 -6.283 6.507 1.00 0.00 H new ATOM 0 HG SER A 57 -3.611 -7.895 8.065 1.00 0.00 H new ATOM 875 N PHE A 58 -0.824 -7.229 4.112 1.00 0.00 N ATOM 876 CA PHE A 58 0.522 -7.759 3.826 1.00 0.00 C ATOM 877 C PHE A 58 1.581 -6.800 4.381 1.00 0.00 C ATOM 878 O PHE A 58 1.411 -5.585 4.326 1.00 0.00 O ATOM 879 CB PHE A 58 0.718 -7.986 2.300 1.00 0.00 C ATOM 880 CG PHE A 58 0.458 -6.763 1.397 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.835 -6.445 0.985 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.511 -5.956 0.940 1.00 0.00 C ATOM 883 CE1 PHE A 58 -1.075 -5.364 0.158 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.268 -4.875 0.106 1.00 0.00 C ATOM 885 CZ PHE A 58 -0.024 -4.582 -0.286 1.00 0.00 C ATOM 0 H PHE A 58 -0.907 -6.227 3.938 1.00 0.00 H new ATOM 0 HA PHE A 58 0.632 -8.726 4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.740 -8.327 2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.057 -8.793 1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.663 -7.053 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.524 -6.180 1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.086 -5.129 -0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.089 -4.262 -0.237 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.213 -3.743 -0.939 1.00 0.00 H new ATOM 895 N GLU A 59 2.667 -7.356 4.934 1.00 0.00 N ATOM 896 CA GLU A 59 3.759 -6.573 5.539 1.00 0.00 C ATOM 897 C GLU A 59 5.038 -6.791 4.724 1.00 0.00 C ATOM 898 O GLU A 59 5.456 -7.936 4.522 1.00 0.00 O ATOM 899 CB GLU A 59 4.009 -6.983 7.024 1.00 0.00 C ATOM 900 CG GLU A 59 2.834 -6.742 8.004 1.00 0.00 C ATOM 901 CD GLU A 59 1.657 -7.726 7.844 1.00 0.00 C ATOM 902 OE1 GLU A 59 1.820 -8.916 8.168 1.00 0.00 O ATOM 903 OE2 GLU A 59 0.558 -7.311 7.417 1.00 0.00 O ATOM 0 H GLU A 59 2.816 -8.364 4.976 1.00 0.00 H new ATOM 0 HA GLU A 59 3.474 -5.521 5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.265 -8.042 7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.878 -6.436 7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.210 -6.807 9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.464 -5.726 7.865 1.00 0.00 H new ATOM 910 N LEU A 60 5.653 -5.699 4.257 1.00 0.00 N ATOM 911 CA LEU A 60 6.927 -5.739 3.523 1.00 0.00 C ATOM 912 C LEU A 60 8.008 -5.026 4.349 1.00 0.00 C ATOM 913 O LEU A 60 7.798 -3.875 4.749 1.00 0.00 O ATOM 914 CB LEU A 60 6.771 -5.074 2.129 1.00 0.00 C ATOM 915 CG LEU A 60 5.836 -5.824 1.121 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.588 -4.985 -0.154 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.413 -7.218 0.762 1.00 0.00 C ATOM 0 H LEU A 60 5.281 -4.757 4.377 1.00 0.00 H new ATOM 0 HA LEU A 60 7.223 -6.776 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.387 -4.064 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.759 -4.980 1.679 1.00 0.00 H new ATOM 0 HG LEU A 60 4.874 -5.970 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.935 -5.536 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.115 -4.041 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.538 -4.785 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.745 -7.719 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.395 -7.099 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.504 -7.818 1.667 1.00 0.00 H new ATOM 929 N PRO A 61 9.172 -5.704 4.640 1.00 0.00 N ATOM 930 CA PRO A 61 10.339 -5.059 5.295 1.00 0.00 C ATOM 931 C PRO A 61 10.898 -3.899 4.449 1.00 0.00 C ATOM 932 O PRO A 61 10.667 -3.871 3.253 1.00 0.00 O ATOM 933 CB PRO A 61 11.356 -6.225 5.449 1.00 0.00 C ATOM 934 CG PRO A 61 10.941 -7.233 4.426 1.00 0.00 C ATOM 935 CD PRO A 61 9.434 -7.149 4.381 1.00 0.00 C ATOM 0 HA PRO A 61 10.091 -4.597 6.250 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.377 -5.884 5.277 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.326 -6.646 6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.378 -7.010 3.453 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.272 -8.234 4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.041 -7.464 3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.971 -7.785 5.136 1.00 0.00 H new ATOM 943 N ARG A 62 11.601 -2.947 5.107 1.00 0.00 N ATOM 944 CA ARG A 62 12.271 -1.777 4.460 1.00 0.00 C ATOM 945 C ARG A 62 12.987 -2.150 3.140 1.00 0.00 C ATOM 946 O ARG A 62 12.836 -1.466 2.115 1.00 0.00 O ATOM 947 CB ARG A 62 13.300 -1.169 5.459 1.00 0.00 C ATOM 948 CG ARG A 62 14.317 -0.171 4.848 1.00 0.00 C ATOM 949 CD ARG A 62 15.434 0.220 5.828 1.00 0.00 C ATOM 950 NE ARG A 62 16.549 0.910 5.153 1.00 0.00 N ATOM 951 CZ ARG A 62 17.498 1.631 5.773 1.00 0.00 C ATOM 952 NH1 ARG A 62 17.408 1.923 7.070 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.533 2.076 5.080 1.00 0.00 N ATOM 0 H ARG A 62 11.725 -2.964 6.119 1.00 0.00 H new ATOM 0 HA ARG A 62 11.498 -1.052 4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.752 -0.662 6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.853 -1.985 5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.761 -0.613 3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.789 0.728 4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.025 0.867 6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.810 -0.675 6.324 1.00 0.00 H new ATOM 0 HE ARG A 62 16.604 0.834 4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.607 1.598 7.612 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.140 2.472 7.521 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.606 1.871 4.083 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.258 2.624 5.542 1.00 0.00 H new ATOM 967 N ASP A 63 13.714 -3.274 3.193 1.00 0.00 N ATOM 968 CA ASP A 63 14.530 -3.799 2.085 1.00 0.00 C ATOM 969 C ASP A 63 13.684 -4.122 0.826 1.00 0.00 C ATOM 970 O ASP A 63 14.188 -4.075 -0.300 1.00 0.00 O ATOM 971 CB ASP A 63 15.283 -5.055 2.596 1.00 0.00 C ATOM 972 CG ASP A 63 16.208 -5.710 1.555 1.00 0.00 C ATOM 973 OD1 ASP A 63 17.234 -5.097 1.189 1.00 0.00 O ATOM 974 OD2 ASP A 63 15.909 -6.829 1.086 1.00 0.00 O ATOM 0 H ASP A 63 13.753 -3.859 4.027 1.00 0.00 H new ATOM 0 HA ASP A 63 15.240 -3.034 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.876 -4.778 3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.552 -5.792 2.929 1.00 0.00 H new ATOM 979 N THR A 64 12.383 -4.403 1.025 1.00 0.00 N ATOM 980 CA THR A 64 11.446 -4.778 -0.056 1.00 0.00 C ATOM 981 C THR A 64 10.134 -3.958 0.046 1.00 0.00 C ATOM 982 O THR A 64 9.120 -4.333 -0.549 1.00 0.00 O ATOM 983 CB THR A 64 11.122 -6.317 -0.006 1.00 0.00 C ATOM 984 OG1 THR A 64 10.563 -6.662 1.273 1.00 0.00 O ATOM 985 CG2 THR A 64 12.365 -7.193 -0.261 1.00 0.00 C ATOM 0 H THR A 64 11.947 -4.377 1.947 1.00 0.00 H new ATOM 0 HA THR A 64 11.927 -4.553 -1.008 1.00 0.00 H new ATOM 0 HB THR A 64 10.405 -6.513 -0.803 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.363 -7.621 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.084 -8.245 -0.215 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.772 -6.969 -1.247 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.119 -6.985 0.499 1.00 0.00 H new ATOM 993 N ALA A 65 10.166 -2.831 0.792 1.00 0.00 N ATOM 994 CA ALA A 65 8.961 -2.007 1.059 1.00 0.00 C ATOM 995 C ALA A 65 8.462 -1.316 -0.213 1.00 0.00 C ATOM 996 O ALA A 65 7.264 -1.302 -0.494 1.00 0.00 O ATOM 997 CB ALA A 65 9.246 -0.971 2.158 1.00 0.00 C ATOM 0 H ALA A 65 11.017 -2.468 1.223 1.00 0.00 H new ATOM 0 HA ALA A 65 8.173 -2.676 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.350 -0.377 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.533 -1.484 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.057 -0.316 1.839 1.00 0.00 H new ATOM 1003 N PHE A 66 9.421 -0.759 -0.972 1.00 0.00 N ATOM 1004 CA PHE A 66 9.165 -0.052 -2.249 1.00 0.00 C ATOM 1005 C PHE A 66 8.732 -1.010 -3.385 1.00 0.00 C ATOM 1006 O PHE A 66 8.343 -0.555 -4.466 1.00 0.00 O ATOM 1007 CB PHE A 66 10.419 0.764 -2.646 1.00 0.00 C ATOM 1008 CG PHE A 66 10.908 1.686 -1.521 1.00 0.00 C ATOM 1009 CD1 PHE A 66 10.164 2.805 -1.136 1.00 0.00 C ATOM 1010 CD2 PHE A 66 12.088 1.410 -0.826 1.00 0.00 C ATOM 1011 CE1 PHE A 66 10.592 3.620 -0.105 1.00 0.00 C ATOM 1012 CE2 PHE A 66 12.510 2.224 0.209 1.00 0.00 C ATOM 1013 CZ PHE A 66 11.762 3.328 0.568 1.00 0.00 C ATOM 0 H PHE A 66 10.408 -0.785 -0.718 1.00 0.00 H new ATOM 0 HA PHE A 66 8.326 0.627 -2.095 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.220 0.079 -2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.193 1.363 -3.528 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.243 3.036 -1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 66 12.679 0.549 -1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.011 4.486 0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.424 1.996 0.737 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.092 3.964 1.376 1.00 0.00 H new ATOM 1023 N ASN A 67 8.742 -2.333 -3.106 1.00 0.00 N ATOM 1024 CA ASN A 67 8.198 -3.371 -4.010 1.00 0.00 C ATOM 1025 C ASN A 67 6.652 -3.460 -3.905 1.00 0.00 C ATOM 1026 O ASN A 67 6.030 -4.312 -4.558 1.00 0.00 O ATOM 1027 CB ASN A 67 8.822 -4.758 -3.676 1.00 0.00 C ATOM 1028 CG ASN A 67 10.352 -4.826 -3.817 1.00 0.00 C ATOM 1029 OD1 ASN A 67 11.066 -3.843 -3.613 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.871 -5.992 -4.155 1.00 0.00 N ATOM 0 H ASN A 67 9.130 -2.712 -2.242 1.00 0.00 H new ATOM 0 HA ASN A 67 8.458 -3.089 -5.030 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.553 -5.026 -2.654 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.377 -5.508 -4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.881 -6.092 -4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.261 -6.793 -4.319 1.00 0.00 H new ATOM 1037 N PHE A 68 6.043 -2.546 -3.110 1.00 0.00 N ATOM 1038 CA PHE A 68 4.599 -2.539 -2.800 1.00 0.00 C ATOM 1039 C PHE A 68 3.717 -2.318 -4.039 1.00 0.00 C ATOM 1040 O PHE A 68 2.540 -2.651 -4.004 1.00 0.00 O ATOM 1041 CB PHE A 68 4.274 -1.443 -1.740 1.00 0.00 C ATOM 1042 CG PHE A 68 4.369 0.004 -2.264 1.00 0.00 C ATOM 1043 CD1 PHE A 68 5.600 0.645 -2.386 1.00 0.00 C ATOM 1044 CD2 PHE A 68 3.227 0.706 -2.655 1.00 0.00 C ATOM 1045 CE1 PHE A 68 5.693 1.930 -2.879 1.00 0.00 C ATOM 1046 CE2 PHE A 68 3.321 1.992 -3.148 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.554 2.606 -3.261 1.00 0.00 C ATOM 0 H PHE A 68 6.552 -1.784 -2.662 1.00 0.00 H new ATOM 0 HA PHE A 68 4.369 -3.529 -2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.267 -1.612 -1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.957 -1.556 -0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.499 0.126 -2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.258 0.237 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.658 2.406 -2.966 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.428 2.520 -3.447 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.625 3.612 -3.647 1.00 0.00 H new ATOM 1057 N ALA A 69 4.283 -1.771 -5.137 1.00 0.00 N ATOM 1058 CA ALA A 69 3.478 -1.280 -6.272 1.00 0.00 C ATOM 1059 C ALA A 69 2.952 -2.464 -7.090 1.00 0.00 C ATOM 1060 O ALA A 69 1.784 -2.496 -7.493 1.00 0.00 O ATOM 1061 CB ALA A 69 4.309 -0.335 -7.144 1.00 0.00 C ATOM 0 H ALA A 69 5.290 -1.660 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 69 2.624 -0.721 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.702 0.019 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.638 0.516 -6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.179 -0.866 -7.529 1.00 0.00 H new ATOM 1067 N SER A 70 3.843 -3.451 -7.294 1.00 0.00 N ATOM 1068 CA SER A 70 3.528 -4.675 -8.034 1.00 0.00 C ATOM 1069 C SER A 70 2.587 -5.573 -7.209 1.00 0.00 C ATOM 1070 O SER A 70 1.659 -6.173 -7.758 1.00 0.00 O ATOM 1071 CB SER A 70 4.828 -5.432 -8.386 1.00 0.00 C ATOM 1072 OG SER A 70 5.695 -4.629 -9.179 1.00 0.00 O ATOM 0 H SER A 70 4.802 -3.417 -6.948 1.00 0.00 H new ATOM 0 HA SER A 70 3.020 -4.405 -8.960 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.339 -5.727 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.584 -6.348 -8.924 1.00 0.00 H new ATOM 0 HG SER A 70 6.510 -5.133 -9.385 1.00 0.00 H new ATOM 1078 N ASP A 71 2.830 -5.631 -5.881 1.00 0.00 N ATOM 1079 CA ASP A 71 2.088 -6.528 -4.970 1.00 0.00 C ATOM 1080 C ASP A 71 0.663 -6.004 -4.703 1.00 0.00 C ATOM 1081 O ASP A 71 -0.285 -6.762 -4.801 1.00 0.00 O ATOM 1082 CB ASP A 71 2.847 -6.737 -3.635 1.00 0.00 C ATOM 1083 CG ASP A 71 2.197 -7.832 -2.752 1.00 0.00 C ATOM 1084 OD1 ASP A 71 2.467 -9.032 -2.976 1.00 0.00 O ATOM 1085 OD2 ASP A 71 1.413 -7.508 -1.849 1.00 0.00 O ATOM 0 H ASP A 71 3.538 -5.064 -5.415 1.00 0.00 H new ATOM 0 HA ASP A 71 2.008 -7.494 -5.468 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.881 -7.011 -3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.873 -5.797 -3.084 1.00 0.00 H new ATOM 1090 N ALA A 72 0.540 -4.712 -4.349 1.00 0.00 N ATOM 1091 CA ALA A 72 -0.767 -4.058 -4.067 1.00 0.00 C ATOM 1092 C ALA A 72 -1.738 -4.145 -5.262 1.00 0.00 C ATOM 1093 O ALA A 72 -2.932 -4.410 -5.081 1.00 0.00 O ATOM 1094 CB ALA A 72 -0.564 -2.593 -3.645 1.00 0.00 C ATOM 0 H ALA A 72 1.339 -4.086 -4.248 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.222 -4.605 -3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.532 -2.135 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.049 -2.555 -2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.065 -2.049 -4.447 1.00 0.00 H new ATOM 1100 N THR A 73 -1.216 -3.930 -6.485 1.00 0.00 N ATOM 1101 CA THR A 73 -2.003 -4.080 -7.724 1.00 0.00 C ATOM 1102 C THR A 73 -2.392 -5.564 -7.936 1.00 0.00 C ATOM 1103 O THR A 73 -3.529 -5.859 -8.296 1.00 0.00 O ATOM 1104 CB THR A 73 -1.222 -3.544 -8.964 1.00 0.00 C ATOM 1105 OG1 THR A 73 -0.815 -2.184 -8.729 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.053 -3.610 -10.268 1.00 0.00 C ATOM 0 H THR A 73 -0.248 -3.650 -6.641 1.00 0.00 H new ATOM 0 HA THR A 73 -2.910 -3.485 -7.618 1.00 0.00 H new ATOM 0 HB THR A 73 -0.353 -4.188 -9.097 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.068 -2.176 -8.304 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.460 -3.225 -11.097 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.331 -4.644 -10.470 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.954 -3.008 -10.156 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.419 -6.472 -7.704 1.00 0.00 N ATOM 1115 CA ARG A 74 -1.638 -7.943 -7.683 1.00 0.00 C ATOM 1116 C ARG A 74 -2.787 -8.338 -6.725 1.00 0.00 C ATOM 1117 O ARG A 74 -3.596 -9.209 -7.053 1.00 0.00 O ATOM 1118 CB ARG A 74 -0.321 -8.660 -7.284 1.00 0.00 C ATOM 1119 CG ARG A 74 -0.386 -10.202 -7.186 1.00 0.00 C ATOM 1120 CD ARG A 74 0.893 -10.797 -6.562 1.00 0.00 C ATOM 1121 NE ARG A 74 2.108 -10.422 -7.320 1.00 0.00 N ATOM 1122 CZ ARG A 74 3.288 -10.061 -6.789 1.00 0.00 C ATOM 1123 NH1 ARG A 74 3.441 -9.936 -5.482 1.00 0.00 N ATOM 1124 NH2 ARG A 74 4.309 -9.799 -7.585 1.00 0.00 N ATOM 0 H ARG A 74 -0.451 -6.207 -7.524 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.932 -8.258 -8.684 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.447 -8.395 -8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.004 -8.269 -6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.250 -10.491 -6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.533 -10.622 -8.181 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.988 -10.452 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.808 -11.883 -6.528 1.00 0.00 H new ATOM 0 HE ARG A 74 2.043 -10.439 -8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.655 -10.115 -4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.345 -9.661 -5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.199 -9.871 -8.596 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.208 -9.524 -7.188 1.00 0.00 H new ATOM 1138 N VAL A 75 -2.869 -7.650 -5.571 1.00 0.00 N ATOM 1139 CA VAL A 75 -3.915 -7.888 -4.557 1.00 0.00 C ATOM 1140 C VAL A 75 -5.266 -7.380 -5.083 1.00 0.00 C ATOM 1141 O VAL A 75 -6.287 -8.045 -4.927 1.00 0.00 O ATOM 1142 CB VAL A 75 -3.564 -7.191 -3.180 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -4.721 -7.293 -2.150 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -2.265 -7.771 -2.580 1.00 0.00 C ATOM 0 H VAL A 75 -2.212 -6.913 -5.315 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.974 -8.961 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.413 -6.134 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.428 -6.799 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.611 -6.810 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.938 -8.342 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.047 -7.274 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.389 -8.840 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.440 -7.609 -3.273 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.245 -6.234 -5.783 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.465 -5.546 -6.240 1.00 0.00 C ATOM 1156 C ALA A 76 -7.152 -6.360 -7.350 1.00 0.00 C ATOM 1157 O ALA A 76 -8.357 -6.637 -7.294 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.108 -4.134 -6.731 1.00 0.00 C ATOM 0 H ALA A 76 -4.383 -5.758 -6.048 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.164 -5.458 -5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.012 -3.627 -7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.658 -3.568 -5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.401 -4.204 -7.558 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.337 -6.748 -8.343 1.00 0.00 N ATOM 1165 CA GLN A 77 -6.775 -7.534 -9.514 1.00 0.00 C ATOM 1166 C GLN A 77 -7.132 -8.980 -9.132 1.00 0.00 C ATOM 1167 O GLN A 77 -7.915 -9.626 -9.830 1.00 0.00 O ATOM 1168 CB GLN A 77 -5.719 -7.489 -10.642 1.00 0.00 C ATOM 1169 CG GLN A 77 -4.402 -8.219 -10.329 1.00 0.00 C ATOM 1170 CD GLN A 77 -3.355 -8.045 -11.425 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -2.557 -7.110 -11.390 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -3.360 -8.930 -12.414 1.00 0.00 N ATOM 0 H GLN A 77 -5.342 -6.523 -8.358 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.686 -7.072 -9.894 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.153 -7.924 -11.543 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.494 -6.447 -10.867 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.000 -7.846 -9.387 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.604 -9.281 -10.191 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.036 -9.694 -12.412 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.688 -8.846 -13.177 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.554 -9.473 -8.017 1.00 0.00 N ATOM 1182 CA LYS A 78 -6.906 -10.786 -7.430 1.00 0.00 C ATOM 1183 C LYS A 78 -8.396 -10.826 -7.020 1.00 0.00 C ATOM 1184 O LYS A 78 -9.039 -11.882 -7.075 1.00 0.00 O ATOM 1185 CB LYS A 78 -5.996 -11.075 -6.209 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.252 -12.426 -5.497 1.00 0.00 C ATOM 1187 CD LYS A 78 -5.255 -12.699 -4.341 1.00 0.00 C ATOM 1188 CE LYS A 78 -3.798 -12.841 -4.829 1.00 0.00 C ATOM 1189 NZ LYS A 78 -3.631 -13.970 -5.783 1.00 0.00 N ATOM 0 H LYS A 78 -5.831 -8.974 -7.498 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.747 -11.559 -8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.957 -11.047 -6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.123 -10.271 -5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.268 -12.436 -5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.185 -13.233 -6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.313 -11.886 -3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.550 -13.610 -3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.486 -11.913 -5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.143 -12.993 -3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.620 -14.113 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.029 -14.837 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.127 -13.751 -6.670 1.00 0.00 H new ATOM 1203 N HIS A 79 -8.944 -9.651 -6.651 1.00 0.00 N ATOM 1204 CA HIS A 79 -10.360 -9.508 -6.251 1.00 0.00 C ATOM 1205 C HIS A 79 -11.202 -8.960 -7.410 1.00 0.00 C ATOM 1206 O HIS A 79 -12.368 -8.621 -7.206 1.00 0.00 O ATOM 1207 CB HIS A 79 -10.483 -8.589 -5.013 1.00 0.00 C ATOM 1208 CG HIS A 79 -9.672 -9.060 -3.840 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -8.483 -8.477 -3.483 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -9.852 -10.090 -2.976 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -7.966 -9.122 -2.470 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -8.775 -10.099 -2.134 1.00 0.00 N ATOM 0 H HIS A 79 -8.420 -8.776 -6.622 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.741 -10.496 -5.990 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -10.166 -7.582 -5.284 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.531 -8.525 -4.719 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.066 -7.665 -3.938 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.688 -10.774 -2.957 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.028 -8.889 -1.989 1.00 0.00 H new ATOM 1221 N GLY A 80 -10.620 -8.905 -8.632 1.00 0.00 N ATOM 1222 CA GLY A 80 -11.360 -8.519 -9.830 1.00 0.00 C ATOM 1223 C GLY A 80 -11.364 -7.028 -10.096 1.00 0.00 C ATOM 1224 O GLY A 80 -12.407 -6.473 -10.421 1.00 0.00 O ATOM 0 H GLY A 80 -9.639 -9.126 -8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.930 -9.030 -10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.390 -8.864 -9.736 1.00 0.00 H new ATOM 1228 N LEU A 81 -10.197 -6.376 -9.949 1.00 0.00 N ATOM 1229 CA LEU A 81 -10.012 -4.959 -10.340 1.00 0.00 C ATOM 1230 C LEU A 81 -10.388 -4.778 -11.821 1.00 0.00 C ATOM 1231 O LEU A 81 -11.222 -3.938 -12.173 1.00 0.00 O ATOM 1232 CB LEU A 81 -8.537 -4.546 -10.119 1.00 0.00 C ATOM 1233 CG LEU A 81 -8.181 -3.050 -10.330 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -8.889 -2.171 -9.277 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -6.647 -2.855 -10.294 1.00 0.00 C ATOM 0 H LEU A 81 -9.359 -6.808 -9.560 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.656 -4.328 -9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.258 -4.819 -9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.916 -5.139 -10.790 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.535 -2.737 -11.312 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.628 -1.126 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.968 -2.294 -9.367 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.572 -2.472 -8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.411 -1.801 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.261 -3.180 -9.328 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.186 -3.446 -11.086 1.00 0.00 H new ATOM 1466 N TYR A 95 3.222 6.282 -8.670 1.00 0.00 N ATOM 1467 CA TYR A 95 4.157 5.495 -7.869 1.00 0.00 C ATOM 1468 C TYR A 95 5.335 6.353 -7.400 1.00 0.00 C ATOM 1469 O TYR A 95 5.756 6.195 -6.277 1.00 0.00 O ATOM 1470 CB TYR A 95 4.681 4.262 -8.670 1.00 0.00 C ATOM 1471 CG TYR A 95 5.906 3.567 -8.033 1.00 0.00 C ATOM 1472 CD1 TYR A 95 5.806 2.901 -6.810 1.00 0.00 C ATOM 1473 CD2 TYR A 95 7.169 3.623 -8.633 1.00 0.00 C ATOM 1474 CE1 TYR A 95 6.910 2.314 -6.223 1.00 0.00 C ATOM 1475 CE2 TYR A 95 8.271 3.042 -8.043 1.00 0.00 C ATOM 1476 CZ TYR A 95 8.136 2.389 -6.840 1.00 0.00 C ATOM 1477 OH TYR A 95 9.232 1.812 -6.244 1.00 0.00 O ATOM 0 HA TYR A 95 3.617 5.136 -6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.874 3.535 -8.766 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.943 4.582 -9.678 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.848 2.844 -6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.283 4.132 -9.579 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.810 1.797 -5.280 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.237 3.099 -8.523 1.00 0.00 H new ATOM 0 HH TYR A 95 8.943 1.058 -5.688 1.00 0.00 H new ATOM 1487 N ASP A 96 5.869 7.227 -8.277 1.00 0.00 N ATOM 1488 CA ASP A 96 7.029 8.090 -7.949 1.00 0.00 C ATOM 1489 C ASP A 96 6.773 8.997 -6.724 1.00 0.00 C ATOM 1490 O ASP A 96 7.666 9.179 -5.898 1.00 0.00 O ATOM 1491 CB ASP A 96 7.423 8.945 -9.179 1.00 0.00 C ATOM 1492 CG ASP A 96 7.915 8.083 -10.352 1.00 0.00 C ATOM 1493 OD1 ASP A 96 9.120 7.748 -10.390 1.00 0.00 O ATOM 1494 OD2 ASP A 96 7.097 7.715 -11.225 1.00 0.00 O ATOM 0 H ASP A 96 5.515 7.356 -9.225 1.00 0.00 H new ATOM 0 HA ASP A 96 7.854 7.428 -7.684 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.564 9.535 -9.499 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.205 9.649 -8.895 1.00 0.00 H new ATOM 1499 N ALA A 97 5.553 9.556 -6.612 1.00 0.00 N ATOM 1500 CA ALA A 97 5.187 10.450 -5.483 1.00 0.00 C ATOM 1501 C ALA A 97 4.995 9.655 -4.187 1.00 0.00 C ATOM 1502 O ALA A 97 5.482 10.056 -3.129 1.00 0.00 O ATOM 1503 CB ALA A 97 3.930 11.266 -5.809 1.00 0.00 C ATOM 0 H ALA A 97 4.801 9.408 -7.285 1.00 0.00 H new ATOM 0 HA ALA A 97 6.013 11.146 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.686 11.911 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.112 11.878 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.097 10.590 -6.002 1.00 0.00 H new ATOM 1509 N MET A 98 4.268 8.530 -4.291 1.00 0.00 N ATOM 1510 CA MET A 98 4.045 7.593 -3.166 1.00 0.00 C ATOM 1511 C MET A 98 5.374 6.958 -2.685 1.00 0.00 C ATOM 1512 O MET A 98 5.544 6.682 -1.506 1.00 0.00 O ATOM 1513 CB MET A 98 3.024 6.509 -3.607 1.00 0.00 C ATOM 1514 CG MET A 98 2.466 5.627 -2.476 1.00 0.00 C ATOM 1515 SD MET A 98 1.095 4.584 -3.035 1.00 0.00 S ATOM 1516 CE MET A 98 0.551 3.813 -1.509 1.00 0.00 C ATOM 0 H MET A 98 3.815 8.240 -5.158 1.00 0.00 H new ATOM 0 HA MET A 98 3.639 8.143 -2.317 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.189 7.002 -4.105 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.501 5.864 -4.346 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.263 4.996 -2.083 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.127 6.261 -1.657 1.00 0.00 H new ATOM 0 HE1 MET A 98 0.042 2.876 -1.736 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.414 3.613 -0.875 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.135 4.481 -0.988 1.00 0.00 H new ATOM 1526 N PHE A 99 6.280 6.736 -3.644 1.00 0.00 N ATOM 1527 CA PHE A 99 7.670 6.298 -3.398 1.00 0.00 C ATOM 1528 C PHE A 99 8.385 7.316 -2.503 1.00 0.00 C ATOM 1529 O PHE A 99 8.965 6.944 -1.477 1.00 0.00 O ATOM 1530 CB PHE A 99 8.440 6.122 -4.741 1.00 0.00 C ATOM 1531 CG PHE A 99 9.922 5.738 -4.599 1.00 0.00 C ATOM 1532 CD1 PHE A 99 10.306 4.405 -4.457 1.00 0.00 C ATOM 1533 CD2 PHE A 99 10.930 6.712 -4.596 1.00 0.00 C ATOM 1534 CE1 PHE A 99 11.640 4.058 -4.321 1.00 0.00 C ATOM 1535 CE2 PHE A 99 12.259 6.360 -4.455 1.00 0.00 C ATOM 1536 CZ PHE A 99 12.614 5.033 -4.319 1.00 0.00 C ATOM 0 H PHE A 99 6.069 6.857 -4.635 1.00 0.00 H new ATOM 0 HA PHE A 99 7.647 5.333 -2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.938 5.356 -5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.375 7.053 -5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.552 3.632 -4.453 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.664 7.753 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.918 3.020 -4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 99 13.021 7.125 -4.451 1.00 0.00 H new ATOM 0 HZ PHE A 99 13.653 4.759 -4.211 1.00 0.00 H new ATOM 1546 N GLU A 100 8.309 8.609 -2.903 1.00 0.00 N ATOM 1547 CA GLU A 100 8.967 9.706 -2.176 1.00 0.00 C ATOM 1548 C GLU A 100 8.294 9.963 -0.818 1.00 0.00 C ATOM 1549 O GLU A 100 8.937 10.474 0.105 1.00 0.00 O ATOM 1550 CB GLU A 100 9.047 11.015 -2.990 1.00 0.00 C ATOM 1551 CG GLU A 100 9.857 10.915 -4.303 1.00 0.00 C ATOM 1552 CD GLU A 100 10.198 12.288 -4.912 1.00 0.00 C ATOM 1553 OE1 GLU A 100 9.398 12.820 -5.698 1.00 0.00 O ATOM 1554 OE2 GLU A 100 11.272 12.848 -4.594 1.00 0.00 O ATOM 0 H GLU A 100 7.794 8.912 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 100 9.991 9.374 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.034 11.340 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.491 11.789 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.781 10.370 -4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.289 10.334 -5.029 1.00 0.00 H new ATOM 1561 N ASP A 101 7.002 9.631 -0.721 1.00 0.00 N ATOM 1562 CA ASP A 101 6.247 9.757 0.531 1.00 0.00 C ATOM 1563 C ASP A 101 6.718 8.690 1.533 1.00 0.00 C ATOM 1564 O ASP A 101 7.126 9.022 2.633 1.00 0.00 O ATOM 1565 CB ASP A 101 4.727 9.625 0.265 1.00 0.00 C ATOM 1566 CG ASP A 101 3.869 10.040 1.475 1.00 0.00 C ATOM 1567 OD1 ASP A 101 3.599 9.199 2.361 1.00 0.00 O ATOM 1568 OD2 ASP A 101 3.478 11.223 1.544 1.00 0.00 O ATOM 0 H ASP A 101 6.453 9.270 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 101 6.430 10.744 0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.458 10.241 -0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.498 8.593 0.000 1.00 0.00 H new ATOM 1573 N ILE A 102 6.668 7.413 1.113 1.00 0.00 N ATOM 1574 CA ILE A 102 7.082 6.257 1.943 1.00 0.00 C ATOM 1575 C ILE A 102 8.574 6.346 2.364 1.00 0.00 C ATOM 1576 O ILE A 102 8.891 6.059 3.511 1.00 0.00 O ATOM 1577 CB ILE A 102 6.774 4.887 1.210 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.226 4.731 0.995 1.00 0.00 C ATOM 1579 CG2 ILE A 102 7.351 3.659 1.970 1.00 0.00 C ATOM 1580 CD1 ILE A 102 4.778 3.441 0.323 1.00 0.00 C ATOM 0 H ILE A 102 6.338 7.148 0.185 1.00 0.00 H new ATOM 0 HA ILE A 102 6.490 6.291 2.857 1.00 0.00 H new ATOM 0 HB ILE A 102 7.273 4.916 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.734 4.803 1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.875 5.571 0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.111 2.747 1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.433 3.758 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.914 3.610 2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.692 3.440 0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.231 3.369 -0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.089 2.589 0.927 1.00 0.00 H new ATOM 1592 N ARG A 103 9.469 6.778 1.440 1.00 0.00 N ATOM 1593 CA ARG A 103 10.918 6.958 1.770 1.00 0.00 C ATOM 1594 C ARG A 103 11.096 8.047 2.853 1.00 0.00 C ATOM 1595 O ARG A 103 12.041 8.006 3.653 1.00 0.00 O ATOM 1596 CB ARG A 103 11.809 7.190 0.502 1.00 0.00 C ATOM 1597 CG ARG A 103 11.614 8.495 -0.289 1.00 0.00 C ATOM 1598 CD ARG A 103 12.284 9.733 0.326 1.00 0.00 C ATOM 1599 NE ARG A 103 13.748 9.604 0.395 1.00 0.00 N ATOM 1600 CZ ARG A 103 14.536 10.190 1.312 1.00 0.00 C ATOM 1601 NH1 ARG A 103 14.016 10.909 2.306 1.00 0.00 N ATOM 1602 NH2 ARG A 103 15.845 10.036 1.237 1.00 0.00 N ATOM 0 H ARG A 103 9.226 7.006 0.476 1.00 0.00 H new ATOM 0 HA ARG A 103 11.282 6.021 2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.852 7.141 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.641 6.357 -0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.003 8.353 -1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.546 8.688 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.027 10.612 -0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.889 9.896 1.329 1.00 0.00 H new ATOM 0 HE ARG A 103 14.201 9.023 -0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.005 11.021 2.379 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.629 11.347 2.994 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.250 9.476 0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.451 10.477 1.929 1.00 0.00 H new ATOM 1616 N ALA A 104 10.168 9.019 2.842 1.00 0.00 N ATOM 1617 CA ALA A 104 10.142 10.137 3.788 1.00 0.00 C ATOM 1618 C ALA A 104 9.633 9.680 5.173 1.00 0.00 C ATOM 1619 O ALA A 104 10.184 10.073 6.207 1.00 0.00 O ATOM 1620 CB ALA A 104 9.280 11.273 3.219 1.00 0.00 C ATOM 0 H ALA A 104 9.406 9.046 2.164 1.00 0.00 H new ATOM 0 HA ALA A 104 11.157 10.508 3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.262 12.104 3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.701 11.610 2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.264 10.913 3.057 1.00 0.00 H new ATOM 1626 N LYS A 105 8.535 8.892 5.179 1.00 0.00 N ATOM 1627 CA LYS A 105 7.984 8.256 6.395 1.00 0.00 C ATOM 1628 C LYS A 105 9.012 7.320 7.077 1.00 0.00 C ATOM 1629 O LYS A 105 9.095 7.273 8.308 1.00 0.00 O ATOM 1630 CB LYS A 105 6.700 7.455 6.034 1.00 0.00 C ATOM 1631 CG LYS A 105 5.576 8.248 5.313 1.00 0.00 C ATOM 1632 CD LYS A 105 5.068 9.471 6.106 1.00 0.00 C ATOM 1633 CE LYS A 105 4.433 9.096 7.455 1.00 0.00 C ATOM 1634 NZ LYS A 105 3.966 10.297 8.190 1.00 0.00 N ATOM 0 H LYS A 105 8.004 8.679 4.335 1.00 0.00 H new ATOM 0 HA LYS A 105 7.741 9.049 7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.987 6.615 5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.288 7.036 6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.945 8.583 4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.738 7.578 5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.899 10.154 6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.335 10.008 5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.593 8.421 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.159 8.556 8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.543 10.008 9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.772 10.929 8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.255 10.798 7.620 1.00 0.00 H new ATOM 1648 N LEU A 106 9.767 6.569 6.250 1.00 0.00 N ATOM 1649 CA LEU A 106 10.883 5.707 6.713 1.00 0.00 C ATOM 1650 C LEU A 106 12.004 6.529 7.393 1.00 0.00 C ATOM 1651 O LEU A 106 12.721 6.015 8.255 1.00 0.00 O ATOM 1652 CB LEU A 106 11.471 4.855 5.532 1.00 0.00 C ATOM 1653 CG LEU A 106 10.913 3.403 5.360 1.00 0.00 C ATOM 1654 CD1 LEU A 106 9.406 3.398 5.071 1.00 0.00 C ATOM 1655 CD2 LEU A 106 11.683 2.637 4.260 1.00 0.00 C ATOM 0 H LEU A 106 9.623 6.540 5.241 1.00 0.00 H new ATOM 0 HA LEU A 106 10.469 5.028 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.297 5.398 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.551 4.790 5.666 1.00 0.00 H new ATOM 0 HG LEU A 106 11.066 2.888 6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.060 2.370 4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.875 3.871 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.210 3.949 4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.274 1.631 4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.582 3.164 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.737 2.575 4.530 1.00 0.00 H new ATOM 1667 N HIS A 107 12.146 7.800 6.985 1.00 0.00 N ATOM 1668 CA HIS A 107 13.128 8.735 7.578 1.00 0.00 C ATOM 1669 C HIS A 107 12.630 9.278 8.943 1.00 0.00 C ATOM 1670 O HIS A 107 13.420 9.853 9.698 1.00 0.00 O ATOM 1671 CB HIS A 107 13.420 9.894 6.584 1.00 0.00 C ATOM 1672 CG HIS A 107 14.582 10.785 6.964 1.00 0.00 C ATOM 1673 ND1 HIS A 107 15.895 10.463 6.692 1.00 0.00 N ATOM 1674 CD2 HIS A 107 14.624 11.980 7.605 1.00 0.00 C ATOM 1675 CE1 HIS A 107 16.687 11.412 7.152 1.00 0.00 C ATOM 1676 NE2 HIS A 107 15.940 12.342 7.706 1.00 0.00 N ATOM 0 H HIS A 107 11.587 8.212 6.237 1.00 0.00 H new ATOM 0 HA HIS A 107 14.056 8.195 7.765 1.00 0.00 H new ATOM 0 HB2 HIS A 107 13.615 9.468 5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.525 10.509 6.493 1.00 0.00 H new ATOM 0 HD2 HIS A 107 13.776 12.542 7.968 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.765 11.423 7.085 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.286 13.197 8.142 1.00 0.00 H new ATOM 1685 N ALA A 108 11.306 9.125 9.203 1.00 0.00 N ATOM 1686 CA ALA A 108 10.600 9.556 10.440 1.00 0.00 C ATOM 1687 C ALA A 108 10.190 11.033 10.336 1.00 0.00 C ATOM 1688 O ALA A 108 9.050 11.393 10.644 1.00 0.00 O ATOM 1689 CB ALA A 108 11.376 9.271 11.749 1.00 0.00 C ATOM 0 H ALA A 108 10.677 8.682 8.533 1.00 0.00 H new ATOM 0 HA ALA A 108 9.704 8.939 10.508 1.00 0.00 H new ATOM 0 HB1 ALA A 108 10.791 9.616 12.601 1.00 0.00 H new ATOM 0 HB2 ALA A 108 11.554 8.199 11.841 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.331 9.797 11.728 1.00 0.00 H new ATOM 1727 N GLY A 111 10.205 14.359 4.212 1.00 0.00 N ATOM 1728 CA GLY A 111 10.563 15.309 3.163 1.00 0.00 C ATOM 1729 C GLY A 111 9.571 15.227 2.020 1.00 0.00 C ATOM 1730 O GLY A 111 9.788 14.477 1.060 1.00 0.00 O ATOM 0 HA2 GLY A 111 10.578 16.321 3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 111 11.568 15.097 2.798 1.00 0.00 H new ATOM 1734 N GLU A 112 8.456 15.960 2.157 1.00 0.00 N ATOM 1735 CA GLU A 112 7.365 15.976 1.167 1.00 0.00 C ATOM 1736 C GLU A 112 7.856 16.523 -0.207 1.00 0.00 C ATOM 1737 O GLU A 112 8.505 17.578 -0.258 1.00 0.00 O ATOM 1738 CB GLU A 112 6.138 16.792 1.698 1.00 0.00 C ATOM 1739 CG GLU A 112 6.336 18.324 1.900 1.00 0.00 C ATOM 1740 CD GLU A 112 7.396 18.716 2.958 1.00 0.00 C ATOM 1741 OE1 GLU A 112 7.276 18.280 4.123 1.00 0.00 O ATOM 1742 OE2 GLU A 112 8.360 19.444 2.628 1.00 0.00 O ATOM 0 H GLU A 112 8.283 16.562 2.962 1.00 0.00 H new ATOM 0 HA GLU A 112 7.040 14.947 1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 112 5.310 16.647 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 112 5.834 16.362 2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.618 18.767 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.380 18.763 2.186 1.00 0.00 H new ATOM 1749 N PRO A 113 7.612 15.781 -1.342 1.00 0.00 N ATOM 1750 CA PRO A 113 7.992 16.255 -2.693 1.00 0.00 C ATOM 1751 C PRO A 113 7.182 17.502 -3.125 1.00 0.00 C ATOM 1752 O PRO A 113 5.984 17.408 -3.407 1.00 0.00 O ATOM 1753 CB PRO A 113 7.709 15.027 -3.607 1.00 0.00 C ATOM 1754 CG PRO A 113 6.689 14.219 -2.860 1.00 0.00 C ATOM 1755 CD PRO A 113 7.010 14.415 -1.392 1.00 0.00 C ATOM 0 HA PRO A 113 9.030 16.583 -2.743 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.331 15.338 -4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.616 14.450 -3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 113 5.678 14.556 -3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 113 6.744 13.166 -3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 113 6.115 14.349 -0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.705 13.657 -1.029 1.00 0.00 H new ATOM 1763 N VAL A 114 7.844 18.673 -3.121 1.00 0.00 N ATOM 1764 CA VAL A 114 7.249 19.937 -3.606 1.00 0.00 C ATOM 1765 C VAL A 114 7.284 19.954 -5.150 1.00 0.00 C ATOM 1766 O VAL A 114 8.191 19.364 -5.759 1.00 0.00 O ATOM 1767 CB VAL A 114 7.985 21.200 -2.996 1.00 0.00 C ATOM 1768 CG1 VAL A 114 9.455 21.324 -3.480 1.00 0.00 C ATOM 1769 CG2 VAL A 114 7.191 22.508 -3.262 1.00 0.00 C ATOM 0 H VAL A 114 8.802 18.773 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 114 6.213 19.991 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 114 8.021 21.045 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 114 9.912 22.206 -3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.012 20.436 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.474 21.417 -4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 114 7.726 23.353 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 114 7.085 22.657 -4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 114 6.203 22.433 -2.807 1.00 0.00 H new ATOM 1779 N ASP A 115 6.298 20.612 -5.785 1.00 0.00 N ATOM 1780 CA ASP A 115 6.112 20.550 -7.257 1.00 0.00 C ATOM 1781 C ASP A 115 6.100 21.947 -7.908 1.00 0.00 C ATOM 1782 O ASP A 115 5.679 22.077 -9.062 1.00 0.00 O ATOM 1783 CB ASP A 115 4.804 19.768 -7.586 1.00 0.00 C ATOM 1784 CG ASP A 115 3.524 20.522 -7.181 1.00 0.00 C ATOM 1785 OD1 ASP A 115 3.274 20.681 -5.969 1.00 0.00 O ATOM 1786 OD2 ASP A 115 2.759 20.955 -8.067 1.00 0.00 O ATOM 0 H ASP A 115 5.613 21.196 -5.306 1.00 0.00 H new ATOM 0 HA ASP A 115 6.966 20.021 -7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.772 19.561 -8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 115 4.827 18.805 -7.076 1.00 0.00 H new ATOM 1791 N LEU A 116 6.615 22.975 -7.195 1.00 0.00 N ATOM 1792 CA LEU A 116 6.626 24.372 -7.700 1.00 0.00 C ATOM 1793 C LEU A 116 7.454 24.500 -9.001 1.00 0.00 C ATOM 1794 O LEU A 116 7.097 25.270 -9.898 1.00 0.00 O ATOM 1795 CB LEU A 116 7.101 25.370 -6.586 1.00 0.00 C ATOM 1796 CG LEU A 116 8.565 25.219 -6.009 1.00 0.00 C ATOM 1797 CD1 LEU A 116 9.636 25.927 -6.887 1.00 0.00 C ATOM 1798 CD2 LEU A 116 8.649 25.731 -4.546 1.00 0.00 C ATOM 0 H LEU A 116 7.028 22.866 -6.269 1.00 0.00 H new ATOM 0 HA LEU A 116 5.603 24.645 -7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.005 26.380 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 116 6.406 25.289 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 116 8.787 24.152 -6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 116 10.621 25.789 -6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 116 9.628 25.497 -7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 116 9.411 26.992 -6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.668 25.614 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.370 26.784 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.968 25.155 -3.919 1.00 0.00 H new ATOM 1810 N GLU A 117 8.557 23.726 -9.087 1.00 0.00 N ATOM 1811 CA GLU A 117 9.416 23.671 -10.288 1.00 0.00 C ATOM 1812 C GLU A 117 8.830 22.703 -11.331 1.00 0.00 C ATOM 1813 O GLU A 117 9.022 22.887 -12.536 1.00 0.00 O ATOM 1814 CB GLU A 117 10.852 23.223 -9.907 1.00 0.00 C ATOM 1815 CG GLU A 117 11.857 23.215 -11.082 1.00 0.00 C ATOM 1816 CD GLU A 117 13.237 22.658 -10.704 1.00 0.00 C ATOM 1817 OE1 GLU A 117 13.997 23.355 -9.998 1.00 0.00 O ATOM 1818 OE2 GLU A 117 13.574 21.527 -11.112 1.00 0.00 O ATOM 0 H GLU A 117 8.876 23.124 -8.328 1.00 0.00 H new ATOM 0 HA GLU A 117 9.458 24.671 -10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.230 23.884 -9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 117 10.805 22.221 -9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.445 22.621 -11.898 1.00 0.00 H new ATOM 0 HG3 GLU A 117 11.975 24.232 -11.456 1.00 0.00 H new ATOM 1825 N ARG A 118 8.122 21.667 -10.848 1.00 0.00 N ATOM 1826 CA ARG A 118 7.517 20.621 -11.706 1.00 0.00 C ATOM 1827 C ARG A 118 6.397 21.201 -12.592 1.00 0.00 C ATOM 1828 O ARG A 118 6.121 20.681 -13.679 1.00 0.00 O ATOM 1829 CB ARG A 118 6.973 19.466 -10.825 1.00 0.00 C ATOM 1830 CG ARG A 118 6.524 18.210 -11.603 1.00 0.00 C ATOM 1831 CD ARG A 118 5.904 17.139 -10.692 1.00 0.00 C ATOM 1832 NE ARG A 118 5.666 15.875 -11.417 1.00 0.00 N ATOM 1833 CZ ARG A 118 4.608 15.069 -11.260 1.00 0.00 C ATOM 1834 NH1 ARG A 118 3.551 15.452 -10.548 1.00 0.00 N ATOM 1835 NH2 ARG A 118 4.592 13.898 -11.862 1.00 0.00 N ATOM 0 H ARG A 118 7.950 21.527 -9.852 1.00 0.00 H new ATOM 0 HA ARG A 118 8.291 20.231 -12.367 1.00 0.00 H new ATOM 0 HB2 ARG A 118 7.746 19.177 -10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.128 19.838 -10.245 1.00 0.00 H new ATOM 0 HG2 ARG A 118 5.798 18.499 -12.364 1.00 0.00 H new ATOM 0 HG3 ARG A 118 7.381 17.785 -12.125 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.566 16.954 -9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 118 4.962 17.508 -10.286 1.00 0.00 H new ATOM 0 HE ARG A 118 6.370 15.590 -12.098 1.00 0.00 H new ATOM 0 HH11 ARG A 118 3.537 16.373 -10.111 1.00 0.00 H new ATOM 0 HH12 ARG A 118 2.754 14.824 -10.440 1.00 0.00 H new ATOM 0 HH21 ARG A 118 5.381 13.612 -12.442 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.791 13.277 -11.749 1.00 0.00 H new ATOM 1849 N ILE A 119 5.751 22.270 -12.098 1.00 0.00 N ATOM 1850 CA ILE A 119 4.753 23.035 -12.864 1.00 0.00 C ATOM 1851 C ILE A 119 5.450 23.853 -13.968 1.00 0.00 C ATOM 1852 O ILE A 119 4.872 24.083 -15.032 1.00 0.00 O ATOM 1853 CB ILE A 119 3.904 23.972 -11.914 1.00 0.00 C ATOM 1854 CG1 ILE A 119 3.165 23.121 -10.825 1.00 0.00 C ATOM 1855 CG2 ILE A 119 2.895 24.857 -12.707 1.00 0.00 C ATOM 1856 CD1 ILE A 119 2.208 22.065 -11.367 1.00 0.00 C ATOM 0 H ILE A 119 5.906 22.628 -11.156 1.00 0.00 H new ATOM 0 HA ILE A 119 4.064 22.333 -13.334 1.00 0.00 H new ATOM 0 HB ILE A 119 4.599 24.650 -11.419 1.00 0.00 H new ATOM 0 HG12 ILE A 119 3.912 22.627 -10.204 1.00 0.00 H new ATOM 0 HG13 ILE A 119 2.607 23.796 -10.176 1.00 0.00 H new ATOM 0 HG21 ILE A 119 2.335 25.483 -12.012 1.00 0.00 H new ATOM 0 HG22 ILE A 119 3.439 25.490 -13.408 1.00 0.00 H new ATOM 0 HG23 ILE A 119 2.204 24.218 -13.257 1.00 0.00 H new ATOM 0 HD11 ILE A 119 1.747 21.531 -10.536 1.00 0.00 H new ATOM 0 HD12 ILE A 119 1.433 22.548 -11.962 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.759 21.361 -11.990 1.00 0.00 H new ATOM 1868 N ILE A 120 6.708 24.266 -13.708 1.00 0.00 N ATOM 1869 CA ILE A 120 7.526 25.011 -14.680 1.00 0.00 C ATOM 1870 C ILE A 120 8.069 24.039 -15.755 1.00 0.00 C ATOM 1871 O ILE A 120 9.198 23.536 -15.665 1.00 0.00 O ATOM 1872 CB ILE A 120 8.707 25.796 -13.980 1.00 0.00 C ATOM 1873 CG1 ILE A 120 8.172 26.663 -12.788 1.00 0.00 C ATOM 1874 CG2 ILE A 120 9.475 26.682 -15.004 1.00 0.00 C ATOM 1875 CD1 ILE A 120 9.251 27.364 -11.968 1.00 0.00 C ATOM 0 H ILE A 120 7.181 24.092 -12.821 1.00 0.00 H new ATOM 0 HA ILE A 120 6.891 25.757 -15.158 1.00 0.00 H new ATOM 0 HB ILE A 120 9.406 25.061 -13.580 1.00 0.00 H new ATOM 0 HG12 ILE A 120 7.490 27.416 -13.183 1.00 0.00 H new ATOM 0 HG13 ILE A 120 7.591 26.023 -12.125 1.00 0.00 H new ATOM 0 HG21 ILE A 120 10.281 27.210 -14.495 1.00 0.00 H new ATOM 0 HG22 ILE A 120 9.893 26.052 -15.789 1.00 0.00 H new ATOM 0 HG23 ILE A 120 8.789 27.405 -15.446 1.00 0.00 H new ATOM 0 HD11 ILE A 120 8.784 27.938 -11.168 1.00 0.00 H new ATOM 0 HD12 ILE A 120 9.921 26.620 -11.537 1.00 0.00 H new ATOM 0 HD13 ILE A 120 9.819 28.035 -12.612 1.00 0.00 H new ATOM 1887 N ARG A 121 7.201 23.722 -16.725 1.00 0.00 N ATOM 1888 CA ARG A 121 7.556 22.974 -17.937 1.00 0.00 C ATOM 1889 C ARG A 121 7.239 23.874 -19.134 1.00 0.00 C ATOM 1890 O ARG A 121 6.077 23.949 -19.569 1.00 0.00 O ATOM 1891 CB ARG A 121 6.760 21.643 -18.034 1.00 0.00 C ATOM 1892 CG ARG A 121 6.999 20.653 -16.876 1.00 0.00 C ATOM 1893 CD ARG A 121 6.256 19.320 -17.085 1.00 0.00 C ATOM 1894 NE ARG A 121 6.665 18.663 -18.343 1.00 0.00 N ATOM 1895 CZ ARG A 121 5.903 17.858 -19.099 1.00 0.00 C ATOM 1896 NH1 ARG A 121 4.666 17.545 -18.744 1.00 0.00 N ATOM 1897 NH2 ARG A 121 6.400 17.370 -20.229 1.00 0.00 N ATOM 0 H ARG A 121 6.216 23.983 -16.688 1.00 0.00 H new ATOM 0 HA ARG A 121 8.613 22.709 -17.916 1.00 0.00 H new ATOM 0 HB2 ARG A 121 5.696 21.876 -18.079 1.00 0.00 H new ATOM 0 HB3 ARG A 121 7.018 21.151 -18.972 1.00 0.00 H new ATOM 0 HG2 ARG A 121 8.068 20.460 -16.780 1.00 0.00 H new ATOM 0 HG3 ARG A 121 6.672 21.106 -15.940 1.00 0.00 H new ATOM 0 HD2 ARG A 121 6.456 18.655 -16.245 1.00 0.00 H new ATOM 0 HD3 ARG A 121 5.181 19.500 -17.100 1.00 0.00 H new ATOM 0 HE ARG A 121 7.616 18.838 -18.668 1.00 0.00 H new ATOM 0 HH11 ARG A 121 4.274 17.918 -17.880 1.00 0.00 H new ATOM 0 HH12 ARG A 121 4.106 16.931 -19.335 1.00 0.00 H new ATOM 0 HH21 ARG A 121 7.350 17.608 -20.513 1.00 0.00 H new ATOM 0 HH22 ARG A 121 5.832 16.757 -20.813 1.00 0.00 H new