USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=16 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 Single : A 9 HIS : no HE2:sc= -2.57! C(o=-2.6!,f=-4.7!) USER MOD Single : A 11 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.578 F(o=-2.9!,f=-0.58) USER MOD Single : A 24 ASN : amide:sc= -0.392 K(o=-0.39,f=-1.8!) USER MOD Single : A 26 HIS : no HD1:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 29 TYR OH : rot -22:sc= 1.44 USER MOD Single : A 33 GLN : amide:sc= -1.01 K(o=-1,f=-1.6!) USER MOD Single : A 34 ASN :FLIP amide:sc= -2.53! C(o=-4.4!,f=-2.5!) USER MOD Single : A 37 SER OG : rot -30:sc= 0.0144 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.746 USER MOD Single : A 42 HIS : no HD1:sc= 0.151 K(o=0.15,f=-2.4) USER MOD Single : A 45 MET CE :methyl 140:sc= -1.14 (180deg=-2.58) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -106:sc= 0.721 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 67 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.22) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 83:sc= 1.2 USER MOD Single : A 77 GLN : amide:sc=-0.00259 K(o=-0.0026,f=-0.8) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0279) USER MOD Single : A 79 HIS :FLIP no HE2:sc= 0.238 F(o=-1.7,f=0.24) USER MOD Single : A 95 TYR OH : rot -116:sc= 0.13 USER MOD Single : A 98 MET CE :methyl -128:sc= -0.783 (180deg=-3.01!) 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 -7.017 9.828 -2.931 1.00 0.00 N ATOM 63 CA PHE A 5 -5.834 9.655 -2.062 1.00 0.00 C ATOM 64 C PHE A 5 -5.820 10.674 -0.908 1.00 0.00 C ATOM 65 O PHE A 5 -6.155 11.851 -1.091 1.00 0.00 O ATOM 66 CB PHE A 5 -4.536 9.783 -2.902 1.00 0.00 C ATOM 67 CG PHE A 5 -3.241 9.660 -2.101 1.00 0.00 C ATOM 68 CD1 PHE A 5 -2.817 8.420 -1.626 1.00 0.00 C ATOM 69 CD2 PHE A 5 -2.468 10.784 -1.801 1.00 0.00 C ATOM 70 CE1 PHE A 5 -1.660 8.309 -0.884 1.00 0.00 C ATOM 71 CE2 PHE A 5 -1.314 10.669 -1.064 1.00 0.00 C ATOM 72 CZ PHE A 5 -0.912 9.436 -0.603 1.00 0.00 C ATOM 0 HA PHE A 5 -5.886 8.659 -1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.543 9.015 -3.675 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.542 10.747 -3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.401 7.537 -1.841 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.781 11.756 -2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.339 7.343 -0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.722 11.546 -0.846 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.008 9.349 -0.019 1.00 0.00 H new ATOM 82 N GLU A 6 -5.387 10.190 0.262 1.00 0.00 N ATOM 83 CA GLU A 6 -5.118 10.990 1.466 1.00 0.00 C ATOM 84 C GLU A 6 -3.807 10.460 2.108 1.00 0.00 C ATOM 85 O GLU A 6 -3.443 9.299 1.873 1.00 0.00 O ATOM 86 CB GLU A 6 -6.320 10.901 2.450 1.00 0.00 C ATOM 87 CG GLU A 6 -6.653 9.472 2.925 1.00 0.00 C ATOM 88 CD GLU A 6 -7.846 9.407 3.888 1.00 0.00 C ATOM 89 OE1 GLU A 6 -8.997 9.302 3.418 1.00 0.00 O ATOM 90 OE2 GLU A 6 -7.640 9.456 5.118 1.00 0.00 O ATOM 0 H GLU A 6 -5.208 9.196 0.403 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.994 12.043 1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.106 11.519 3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.201 11.324 1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.864 8.849 2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.777 9.048 3.416 1.00 0.00 H new ATOM 97 N PRO A 7 -3.049 11.289 2.892 1.00 0.00 N ATOM 98 CA PRO A 7 -1.815 10.826 3.573 1.00 0.00 C ATOM 99 C PRO A 7 -2.109 9.710 4.607 1.00 0.00 C ATOM 100 O PRO A 7 -2.564 9.991 5.720 1.00 0.00 O ATOM 101 CB PRO A 7 -1.252 12.113 4.250 1.00 0.00 C ATOM 102 CG PRO A 7 -1.927 13.249 3.534 1.00 0.00 C ATOM 103 CD PRO A 7 -3.295 12.733 3.149 1.00 0.00 C ATOM 0 HA PRO A 7 -1.103 10.376 2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.475 12.129 5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.168 12.171 4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.006 14.126 4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.359 13.549 2.653 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.022 12.883 3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.683 13.240 2.265 1.00 0.00 H new ATOM 111 N GLY A 8 -1.875 8.440 4.214 1.00 0.00 N ATOM 112 CA GLY A 8 -2.118 7.274 5.084 1.00 0.00 C ATOM 113 C GLY A 8 -3.032 6.223 4.455 1.00 0.00 C ATOM 114 O GLY A 8 -3.038 5.062 4.900 1.00 0.00 O ATOM 0 H GLY A 8 -1.515 8.197 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.163 6.811 5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.560 7.615 6.020 1.00 0.00 H new ATOM 118 N HIS A 9 -3.799 6.614 3.411 1.00 0.00 N ATOM 119 CA HIS A 9 -4.849 5.746 2.820 1.00 0.00 C ATOM 120 C HIS A 9 -5.192 6.165 1.371 1.00 0.00 C ATOM 121 O HIS A 9 -5.077 7.327 1.010 1.00 0.00 O ATOM 122 CB HIS A 9 -6.107 5.801 3.726 1.00 0.00 C ATOM 123 CG HIS A 9 -7.213 4.847 3.361 1.00 0.00 C ATOM 124 ND1 HIS A 9 -8.485 5.261 3.053 1.00 0.00 N ATOM 125 CD2 HIS A 9 -7.247 3.494 3.317 1.00 0.00 C ATOM 126 CE1 HIS A 9 -9.243 4.212 2.843 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.520 3.127 3.000 1.00 0.00 N ATOM 0 H HIS A 9 -3.712 7.524 2.959 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.475 4.723 2.768 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.802 5.600 4.753 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.505 6.816 3.704 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -8.792 6.232 2.996 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.417 2.828 3.500 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -10.291 4.236 2.583 1.00 0.00 H new ATOM 136 N LEU A 10 -5.625 5.196 0.553 1.00 0.00 N ATOM 137 CA LEU A 10 -6.015 5.390 -0.857 1.00 0.00 C ATOM 138 C LEU A 10 -7.339 4.641 -1.106 1.00 0.00 C ATOM 139 O LEU A 10 -7.644 3.664 -0.416 1.00 0.00 O ATOM 140 CB LEU A 10 -4.892 4.856 -1.805 1.00 0.00 C ATOM 141 CG LEU A 10 -5.209 4.836 -3.344 1.00 0.00 C ATOM 142 CD1 LEU A 10 -5.504 6.250 -3.892 1.00 0.00 C ATOM 143 CD2 LEU A 10 -4.071 4.161 -4.140 1.00 0.00 C ATOM 0 H LEU A 10 -5.717 4.227 0.859 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.152 6.451 -1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.001 5.464 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.643 3.841 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.114 4.242 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.718 6.189 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.366 6.669 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.637 6.891 -3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.319 4.162 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.142 4.710 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.947 3.134 -3.798 1.00 0.00 H new ATOM 155 N HIS A 11 -8.152 5.151 -2.039 1.00 0.00 N ATOM 156 CA HIS A 11 -9.393 4.495 -2.483 1.00 0.00 C ATOM 157 C HIS A 11 -9.345 4.298 -4.019 1.00 0.00 C ATOM 158 O HIS A 11 -8.882 5.177 -4.746 1.00 0.00 O ATOM 159 CB HIS A 11 -10.613 5.364 -2.051 1.00 0.00 C ATOM 160 CG HIS A 11 -11.963 4.667 -2.051 1.00 0.00 C ATOM 161 ND1 HIS A 11 -12.867 4.787 -1.015 1.00 0.00 N ATOM 162 CD2 HIS A 11 -12.581 3.883 -2.975 1.00 0.00 C ATOM 163 CE1 HIS A 11 -13.961 4.117 -1.306 1.00 0.00 C ATOM 164 NE2 HIS A 11 -13.810 3.558 -2.485 1.00 0.00 N ATOM 0 H HIS A 11 -7.968 6.036 -2.512 1.00 0.00 H new ATOM 0 HA HIS A 11 -9.495 3.513 -2.020 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -10.424 5.746 -1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -10.672 6.227 -2.715 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -12.171 3.574 -3.925 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.837 4.039 -0.680 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -14.501 2.975 -2.957 1.00 0.00 H new ATOM 173 N LEU A 12 -9.825 3.129 -4.480 1.00 0.00 N ATOM 174 CA LEU A 12 -9.950 2.751 -5.905 1.00 0.00 C ATOM 175 C LEU A 12 -11.422 2.371 -6.127 1.00 0.00 C ATOM 176 O LEU A 12 -11.960 1.564 -5.361 1.00 0.00 O ATOM 177 CB LEU A 12 -9.040 1.533 -6.250 1.00 0.00 C ATOM 178 CG LEU A 12 -7.503 1.685 -5.987 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.751 0.355 -6.291 1.00 0.00 C ATOM 180 CD2 LEU A 12 -6.908 2.863 -6.805 1.00 0.00 C ATOM 0 H LEU A 12 -10.149 2.394 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.640 3.578 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.396 0.674 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.180 1.296 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.366 1.913 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.686 0.487 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.139 -0.437 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.902 0.082 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.840 2.944 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.063 2.682 -7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.403 3.791 -6.519 1.00 0.00 H new ATOM 192 N VAL A 13 -12.087 2.958 -7.138 1.00 0.00 N ATOM 193 CA VAL A 13 -13.534 2.733 -7.356 1.00 0.00 C ATOM 194 C VAL A 13 -13.933 2.833 -8.855 1.00 0.00 C ATOM 195 O VAL A 13 -14.171 3.914 -9.415 1.00 0.00 O ATOM 196 CB VAL A 13 -14.405 3.683 -6.430 1.00 0.00 C ATOM 197 CG1 VAL A 13 -13.945 5.155 -6.524 1.00 0.00 C ATOM 198 CG2 VAL A 13 -15.927 3.534 -6.723 1.00 0.00 C ATOM 0 H VAL A 13 -11.653 3.587 -7.814 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.751 1.706 -7.062 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.243 3.363 -5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.566 5.773 -5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.904 5.232 -6.210 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.039 5.501 -7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.490 4.200 -6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -16.124 3.794 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.233 2.504 -6.542 1.00 0.00 H new ATOM 307 N GLN A 21 -18.984 -3.639 -14.660 1.00 0.00 N ATOM 308 CA GLN A 21 -17.777 -3.902 -13.871 1.00 0.00 C ATOM 309 C GLN A 21 -17.620 -2.937 -12.677 1.00 0.00 C ATOM 310 O GLN A 21 -17.326 -1.739 -12.816 1.00 0.00 O ATOM 311 CB GLN A 21 -16.495 -3.918 -14.714 1.00 0.00 C ATOM 312 CG GLN A 21 -15.262 -4.353 -13.892 1.00 0.00 C ATOM 313 CD GLN A 21 -15.477 -5.696 -13.171 1.00 0.00 C ATOM 314 OE1 GLN A 21 -15.061 -5.776 -11.931 1.00 0.00 O flip ATOM 315 NE2 GLN A 21 -16.096 -6.620 -13.699 1.00 0.00 N flip ATOM 0 HA GLN A 21 -17.921 -4.907 -13.474 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.625 -4.596 -15.557 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -16.322 -2.925 -15.128 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.399 -4.433 -14.553 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -15.030 -3.583 -13.157 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -16.411 -6.536 -14.666 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -16.294 -7.469 -13.170 1.00 0.00 H new ATOM 324 N ASP A 22 -17.854 -3.531 -11.521 1.00 0.00 N ATOM 325 CA ASP A 22 -17.674 -2.946 -10.196 1.00 0.00 C ATOM 326 C ASP A 22 -16.345 -3.425 -9.556 1.00 0.00 C ATOM 327 O ASP A 22 -16.173 -4.625 -9.286 1.00 0.00 O ATOM 328 CB ASP A 22 -18.901 -3.384 -9.347 1.00 0.00 C ATOM 329 CG ASP A 22 -18.831 -2.996 -7.862 1.00 0.00 C ATOM 330 OD1 ASP A 22 -18.188 -3.735 -7.076 1.00 0.00 O ATOM 331 OD2 ASP A 22 -19.415 -1.955 -7.469 1.00 0.00 O ATOM 0 H ASP A 22 -18.195 -4.491 -11.474 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.613 -1.859 -10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -19.800 -2.945 -9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.008 -4.466 -9.420 1.00 0.00 H new ATOM 336 N ILE A 23 -15.386 -2.492 -9.367 1.00 0.00 N ATOM 337 CA ILE A 23 -14.217 -2.707 -8.462 1.00 0.00 C ATOM 338 C ILE A 23 -14.248 -1.625 -7.379 1.00 0.00 C ATOM 339 O ILE A 23 -14.462 -0.443 -7.672 1.00 0.00 O ATOM 340 CB ILE A 23 -12.778 -2.779 -9.202 1.00 0.00 C ATOM 341 CG1 ILE A 23 -11.990 -1.410 -9.303 1.00 0.00 C ATOM 342 CG2 ILE A 23 -12.943 -3.370 -10.612 1.00 0.00 C ATOM 343 CD1 ILE A 23 -11.063 -1.066 -8.149 1.00 0.00 C ATOM 0 H ILE A 23 -15.391 -1.581 -9.825 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.323 -3.700 -8.024 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.170 -3.420 -8.563 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.400 -1.424 -10.220 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.718 -0.606 -9.405 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.971 -3.415 -11.104 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.360 -4.374 -10.539 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.615 -2.740 -11.194 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.585 -0.105 -8.340 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.638 -1.007 -7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.300 -1.838 -8.052 1.00 0.00 H new ATOM 355 N ASN A 24 -14.084 -2.051 -6.123 1.00 0.00 N ATOM 356 CA ASN A 24 -13.971 -1.146 -4.962 1.00 0.00 C ATOM 357 C ASN A 24 -12.900 -1.702 -4.030 1.00 0.00 C ATOM 358 O ASN A 24 -13.023 -2.827 -3.534 1.00 0.00 O ATOM 359 CB ASN A 24 -15.311 -0.998 -4.209 1.00 0.00 C ATOM 360 CG ASN A 24 -16.430 -0.429 -5.074 1.00 0.00 C ATOM 361 OD1 ASN A 24 -16.641 0.776 -5.130 1.00 0.00 O ATOM 362 ND2 ASN A 24 -17.136 -1.288 -5.778 1.00 0.00 N ATOM 0 H ASN A 24 -14.025 -3.039 -5.876 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.698 -0.151 -5.315 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -15.615 -1.973 -3.829 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.164 -0.350 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.881 -0.955 -6.390 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -16.938 -2.286 -5.712 1.00 0.00 H new ATOM 369 N ILE A 25 -11.851 -0.903 -3.805 1.00 0.00 N ATOM 370 CA ILE A 25 -10.623 -1.315 -3.111 1.00 0.00 C ATOM 371 C ILE A 25 -10.135 -0.122 -2.276 1.00 0.00 C ATOM 372 O ILE A 25 -10.421 1.029 -2.606 1.00 0.00 O ATOM 373 CB ILE A 25 -9.478 -1.746 -4.121 1.00 0.00 C ATOM 374 CG1 ILE A 25 -9.975 -2.838 -5.120 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.216 -2.248 -3.373 1.00 0.00 C ATOM 376 CD1 ILE A 25 -8.955 -3.278 -6.153 1.00 0.00 C ATOM 0 H ILE A 25 -11.831 0.071 -4.107 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.848 -2.181 -2.488 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.210 -0.855 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.292 -3.712 -4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.855 -2.459 -5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.454 -2.534 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.830 -1.452 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.476 -3.111 -2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.396 -4.038 -6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.653 -2.421 -6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.082 -3.692 -5.649 1.00 0.00 H new ATOM 388 N HIS A 26 -9.446 -0.406 -1.179 1.00 0.00 N ATOM 389 CA HIS A 26 -8.757 0.598 -0.358 1.00 0.00 C ATOM 390 C HIS A 26 -7.302 0.139 -0.210 1.00 0.00 C ATOM 391 O HIS A 26 -7.051 -1.066 -0.172 1.00 0.00 O ATOM 392 CB HIS A 26 -9.406 0.722 1.048 1.00 0.00 C ATOM 393 CG HIS A 26 -10.901 0.923 1.105 1.00 0.00 C ATOM 394 ND1 HIS A 26 -11.669 0.435 2.137 1.00 0.00 N ATOM 395 CD2 HIS A 26 -11.765 1.550 0.276 1.00 0.00 C ATOM 396 CE1 HIS A 26 -12.924 0.742 1.940 1.00 0.00 C ATOM 397 NE2 HIS A 26 -13.014 1.420 0.820 1.00 0.00 N ATOM 0 H HIS A 26 -9.344 -1.356 -0.823 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.824 1.575 -0.837 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.165 -0.179 1.611 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -8.933 1.557 1.565 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.516 2.059 -0.644 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.747 0.482 2.589 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -13.876 1.790 0.420 1.00 0.00 H new ATOM 406 N ILE A 27 -6.348 1.078 -0.140 1.00 0.00 N ATOM 407 CA ILE A 27 -4.941 0.767 0.159 1.00 0.00 C ATOM 408 C ILE A 27 -4.507 1.628 1.353 1.00 0.00 C ATOM 409 O ILE A 27 -4.325 2.840 1.233 1.00 0.00 O ATOM 410 CB ILE A 27 -3.985 1.021 -1.077 1.00 0.00 C ATOM 411 CG1 ILE A 27 -4.429 0.165 -2.318 1.00 0.00 C ATOM 412 CG2 ILE A 27 -2.495 0.734 -0.708 1.00 0.00 C ATOM 413 CD1 ILE A 27 -3.570 0.341 -3.565 1.00 0.00 C ATOM 0 H ILE A 27 -6.528 2.071 -0.288 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.862 -0.295 0.393 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.065 2.074 -1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.421 -0.888 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.459 0.420 -2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.863 0.917 -1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.189 1.389 0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.391 -0.305 -0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.956 -0.290 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.597 1.384 -3.881 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.542 0.056 -3.342 1.00 0.00 H new ATOM 425 N ARG A 28 -4.373 0.981 2.501 1.00 0.00 N ATOM 426 CA ARG A 28 -3.882 1.592 3.739 1.00 0.00 C ATOM 427 C ARG A 28 -2.404 1.270 3.863 1.00 0.00 C ATOM 428 O ARG A 28 -2.003 0.124 3.656 1.00 0.00 O ATOM 429 CB ARG A 28 -4.679 1.031 4.946 1.00 0.00 C ATOM 430 CG ARG A 28 -4.227 1.500 6.348 1.00 0.00 C ATOM 431 CD ARG A 28 -5.161 0.969 7.452 1.00 0.00 C ATOM 432 NE ARG A 28 -4.752 1.403 8.802 1.00 0.00 N ATOM 433 CZ ARG A 28 -5.584 1.793 9.786 1.00 0.00 C ATOM 434 NH1 ARG A 28 -6.894 1.830 9.606 1.00 0.00 N ATOM 435 NH2 ARG A 28 -5.087 2.144 10.962 1.00 0.00 N ATOM 0 H ARG A 28 -4.607 -0.006 2.606 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.018 2.673 3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.727 1.300 4.818 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.623 -0.057 4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.209 1.158 6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.208 2.589 6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.178 1.311 7.257 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.178 -0.120 7.415 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.753 1.408 9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.293 1.560 8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.505 2.129 10.366 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.079 2.118 11.118 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.712 2.440 11.712 1.00 0.00 H new ATOM 449 N TYR A 29 -1.601 2.279 4.165 1.00 0.00 N ATOM 450 CA TYR A 29 -0.167 2.118 4.393 1.00 0.00 C ATOM 451 C TYR A 29 0.191 2.922 5.644 1.00 0.00 C ATOM 452 O TYR A 29 -0.154 4.105 5.750 1.00 0.00 O ATOM 453 CB TYR A 29 0.650 2.566 3.142 1.00 0.00 C ATOM 454 CG TYR A 29 0.520 4.051 2.771 1.00 0.00 C ATOM 455 CD1 TYR A 29 -0.586 4.533 2.060 1.00 0.00 C ATOM 456 CD2 TYR A 29 1.489 4.977 3.170 1.00 0.00 C ATOM 457 CE1 TYR A 29 -0.712 5.875 1.765 1.00 0.00 C ATOM 458 CE2 TYR A 29 1.357 6.315 2.886 1.00 0.00 C ATOM 459 CZ TYR A 29 0.262 6.758 2.180 1.00 0.00 C ATOM 460 OH TYR A 29 0.125 8.099 1.919 1.00 0.00 O ATOM 0 H TYR A 29 -1.926 3.241 4.260 1.00 0.00 H new ATOM 0 HA TYR A 29 0.087 1.070 4.552 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.703 2.343 3.317 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.334 1.966 2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.352 3.844 1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.358 4.634 3.712 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.569 6.232 1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.110 7.016 3.216 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.488 8.225 1.165 1.00 0.00 H new ATOM 470 N GLU A 30 0.811 2.260 6.618 1.00 0.00 N ATOM 471 CA GLU A 30 1.259 2.890 7.861 1.00 0.00 C ATOM 472 C GLU A 30 2.729 2.555 8.047 1.00 0.00 C ATOM 473 O GLU A 30 3.080 1.379 8.213 1.00 0.00 O ATOM 474 CB GLU A 30 0.420 2.402 9.073 1.00 0.00 C ATOM 475 CG GLU A 30 -1.092 2.686 8.951 1.00 0.00 C ATOM 476 CD GLU A 30 -1.882 2.285 10.198 1.00 0.00 C ATOM 477 OE1 GLU A 30 -2.137 1.081 10.388 1.00 0.00 O ATOM 478 OE2 GLU A 30 -2.279 3.164 10.987 1.00 0.00 O ATOM 0 H GLU A 30 1.019 1.263 6.568 1.00 0.00 H new ATOM 0 HA GLU A 30 1.123 3.970 7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.568 1.329 9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.796 2.880 9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.241 3.749 8.760 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.488 2.149 8.089 1.00 0.00 H new ATOM 485 N VAL A 31 3.590 3.582 8.012 1.00 0.00 N ATOM 486 CA VAL A 31 5.025 3.392 8.168 1.00 0.00 C ATOM 487 C VAL A 31 5.328 3.418 9.664 1.00 0.00 C ATOM 488 O VAL A 31 5.127 4.442 10.325 1.00 0.00 O ATOM 489 CB VAL A 31 5.852 4.500 7.420 1.00 0.00 C ATOM 490 CG1 VAL A 31 7.380 4.244 7.525 1.00 0.00 C ATOM 491 CG2 VAL A 31 5.406 4.616 5.940 1.00 0.00 C ATOM 0 H VAL A 31 3.309 4.553 7.876 1.00 0.00 H new ATOM 0 HA VAL A 31 5.317 2.440 7.725 1.00 0.00 H new ATOM 0 HB VAL A 31 5.648 5.451 7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.918 5.031 6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.678 4.243 8.574 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.619 3.278 7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.992 5.389 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.563 3.662 5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.349 4.879 5.898 1.00 0.00 H new ATOM 501 N ARG A 32 5.789 2.288 10.180 1.00 0.00 N ATOM 502 CA ARG A 32 6.121 2.117 11.598 1.00 0.00 C ATOM 503 C ARG A 32 7.562 1.624 11.695 1.00 0.00 C ATOM 504 O ARG A 32 8.136 1.162 10.703 1.00 0.00 O ATOM 505 CB ARG A 32 5.153 1.102 12.264 1.00 0.00 C ATOM 506 CG ARG A 32 5.296 0.999 13.804 1.00 0.00 C ATOM 507 CD ARG A 32 4.584 -0.214 14.390 1.00 0.00 C ATOM 508 NE ARG A 32 4.639 -0.226 15.866 1.00 0.00 N ATOM 509 CZ ARG A 32 3.790 0.422 16.691 1.00 0.00 C ATOM 510 NH1 ARG A 32 2.811 1.179 16.213 1.00 0.00 N ATOM 511 NH2 ARG A 32 3.935 0.317 18.003 1.00 0.00 N ATOM 0 H ARG A 32 5.947 1.449 9.622 1.00 0.00 H new ATOM 0 HA ARG A 32 6.017 3.067 12.122 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.128 1.385 12.024 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.322 0.117 11.829 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.354 0.952 14.062 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.896 1.904 14.262 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.543 -0.216 14.066 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.040 -1.125 14.002 1.00 0.00 H new ATOM 0 HE ARG A 32 5.384 -0.772 16.300 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.690 1.279 15.205 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.180 1.661 16.853 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.688 -0.253 18.389 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.294 0.806 18.628 1.00 0.00 H new ATOM 525 N GLN A 33 8.157 1.727 12.884 1.00 0.00 N ATOM 526 CA GLN A 33 9.511 1.256 13.139 1.00 0.00 C ATOM 527 C GLN A 33 9.434 0.063 14.112 1.00 0.00 C ATOM 528 O GLN A 33 9.018 0.219 15.261 1.00 0.00 O ATOM 529 CB GLN A 33 10.381 2.407 13.726 1.00 0.00 C ATOM 530 CG GLN A 33 10.308 3.761 12.977 1.00 0.00 C ATOM 531 CD GLN A 33 10.788 3.710 11.524 1.00 0.00 C ATOM 532 OE1 GLN A 33 11.977 3.828 11.253 1.00 0.00 O ATOM 533 NE2 GLN A 33 9.867 3.591 10.578 1.00 0.00 N ATOM 0 H GLN A 33 7.707 2.143 13.699 1.00 0.00 H new ATOM 0 HA GLN A 33 9.981 0.934 12.210 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.082 2.570 14.761 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.420 2.079 13.742 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.277 4.116 12.994 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.906 4.494 13.518 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.884 3.494 10.833 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.141 3.596 9.596 1.00 0.00 H new ATOM 542 N ASN A 34 9.782 -1.134 13.620 1.00 0.00 N ATOM 543 CA ASN A 34 9.941 -2.344 14.459 1.00 0.00 C ATOM 544 C ASN A 34 11.419 -2.514 14.839 1.00 0.00 C ATOM 545 O ASN A 34 12.297 -2.203 14.044 1.00 0.00 O ATOM 546 CB ASN A 34 9.387 -3.630 13.751 1.00 0.00 C ATOM 547 CG ASN A 34 10.126 -4.146 12.493 1.00 0.00 C ATOM 548 OD1 ASN A 34 10.832 -3.305 11.760 1.00 0.00 O flip ATOM 549 ND2 ASN A 34 10.064 -5.332 12.182 1.00 0.00 N flip ATOM 0 H ASN A 34 9.963 -1.297 12.630 1.00 0.00 H new ATOM 0 HA ASN A 34 9.350 -2.211 15.365 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.376 -4.436 14.485 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.351 -3.437 13.473 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.518 -5.980 12.750 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.558 -5.669 11.356 1.00 0.00 H new ATOM 556 N ALA A 35 11.681 -3.001 16.059 1.00 0.00 N ATOM 557 CA ALA A 35 13.054 -3.252 16.552 1.00 0.00 C ATOM 558 C ALA A 35 13.728 -4.409 15.781 1.00 0.00 C ATOM 559 O ALA A 35 14.958 -4.539 15.781 1.00 0.00 O ATOM 560 CB ALA A 35 13.019 -3.540 18.061 1.00 0.00 C ATOM 0 H ALA A 35 10.954 -3.234 16.735 1.00 0.00 H new ATOM 0 HA ALA A 35 13.653 -2.358 16.377 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.032 -3.724 18.420 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.599 -2.682 18.586 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.402 -4.418 18.250 1.00 0.00 H new ATOM 566 N GLU A 36 12.893 -5.227 15.124 1.00 0.00 N ATOM 567 CA GLU A 36 13.311 -6.398 14.342 1.00 0.00 C ATOM 568 C GLU A 36 14.103 -5.997 13.068 1.00 0.00 C ATOM 569 O GLU A 36 15.214 -6.488 12.847 1.00 0.00 O ATOM 570 CB GLU A 36 12.041 -7.215 13.982 1.00 0.00 C ATOM 571 CG GLU A 36 12.280 -8.479 13.134 1.00 0.00 C ATOM 572 CD GLU A 36 10.975 -9.227 12.804 1.00 0.00 C ATOM 573 OE1 GLU A 36 10.471 -9.980 13.666 1.00 0.00 O ATOM 574 OE2 GLU A 36 10.434 -9.053 11.691 1.00 0.00 O ATOM 0 H GLU A 36 11.882 -5.088 15.122 1.00 0.00 H new ATOM 0 HA GLU A 36 13.991 -7.005 14.939 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.545 -7.509 14.907 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.352 -6.564 13.444 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.779 -8.200 12.206 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.953 -9.149 13.669 1.00 0.00 H new ATOM 581 N SER A 37 13.534 -5.090 12.252 1.00 0.00 N ATOM 582 CA SER A 37 14.102 -4.734 10.923 1.00 0.00 C ATOM 583 C SER A 37 14.385 -3.223 10.792 1.00 0.00 C ATOM 584 O SER A 37 15.108 -2.795 9.884 1.00 0.00 O ATOM 585 CB SER A 37 13.127 -5.199 9.816 1.00 0.00 C ATOM 586 OG SER A 37 13.647 -4.975 8.515 1.00 0.00 O ATOM 0 H SER A 37 12.679 -4.585 12.484 1.00 0.00 H new ATOM 0 HA SER A 37 15.060 -5.242 10.816 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.915 -6.261 9.943 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.180 -4.670 9.923 1.00 0.00 H new ATOM 0 HG SER A 37 14.232 -4.189 8.527 1.00 0.00 H new ATOM 592 N GLY A 38 13.828 -2.427 11.711 1.00 0.00 N ATOM 593 CA GLY A 38 13.925 -0.967 11.653 1.00 0.00 C ATOM 594 C GLY A 38 12.680 -0.361 11.028 1.00 0.00 C ATOM 595 O GLY A 38 11.571 -0.619 11.485 1.00 0.00 O ATOM 0 H GLY A 38 13.300 -2.776 12.511 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.062 -0.568 12.658 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.803 -0.680 11.074 1.00 0.00 H new ATOM 599 N ALA A 39 12.860 0.457 9.991 1.00 0.00 N ATOM 600 CA ALA A 39 11.745 1.022 9.220 1.00 0.00 C ATOM 601 C ALA A 39 11.025 -0.078 8.413 1.00 0.00 C ATOM 602 O ALA A 39 11.683 -0.932 7.816 1.00 0.00 O ATOM 603 CB ALA A 39 12.249 2.138 8.290 1.00 0.00 C ATOM 0 H ALA A 39 13.780 0.748 9.660 1.00 0.00 H new ATOM 0 HA ALA A 39 11.027 1.453 9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.411 2.547 7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.706 2.929 8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.988 1.730 7.600 1.00 0.00 H new ATOM 609 N TYR A 40 9.685 -0.070 8.454 1.00 0.00 N ATOM 610 CA TYR A 40 8.835 -0.913 7.584 1.00 0.00 C ATOM 611 C TYR A 40 7.489 -0.217 7.368 1.00 0.00 C ATOM 612 O TYR A 40 7.187 0.786 8.018 1.00 0.00 O ATOM 613 CB TYR A 40 8.628 -2.351 8.168 1.00 0.00 C ATOM 614 CG TYR A 40 7.610 -2.473 9.321 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.901 -1.969 10.589 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.357 -3.094 9.140 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.998 -2.079 11.626 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.455 -3.196 10.181 1.00 0.00 C ATOM 619 CZ TYR A 40 5.781 -2.690 11.419 1.00 0.00 C ATOM 620 OH TYR A 40 4.893 -2.800 12.465 1.00 0.00 O ATOM 0 H TYR A 40 9.153 0.522 9.092 1.00 0.00 H new ATOM 0 HA TYR A 40 9.345 -1.037 6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.310 -3.008 7.358 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.591 -2.721 8.520 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.850 -1.484 10.762 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.098 -3.496 8.172 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.245 -1.686 12.601 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.498 -3.671 10.024 1.00 0.00 H new ATOM 0 HH TYR A 40 4.081 -3.254 12.158 1.00 0.00 H new ATOM 630 N VAL A 41 6.679 -0.761 6.450 1.00 0.00 N ATOM 631 CA VAL A 41 5.324 -0.265 6.187 1.00 0.00 C ATOM 632 C VAL A 41 4.339 -1.447 6.271 1.00 0.00 C ATOM 633 O VAL A 41 4.504 -2.455 5.567 1.00 0.00 O ATOM 634 CB VAL A 41 5.197 0.432 4.775 1.00 0.00 C ATOM 635 CG1 VAL A 41 3.892 1.259 4.682 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.432 1.303 4.436 1.00 0.00 C ATOM 0 H VAL A 41 6.945 -1.557 5.870 1.00 0.00 H new ATOM 0 HA VAL A 41 5.092 0.490 6.938 1.00 0.00 H new ATOM 0 HB VAL A 41 5.155 -0.362 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.828 1.729 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.034 0.602 4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.894 2.029 5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.297 1.760 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.544 2.084 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.325 0.679 4.425 1.00 0.00 H new ATOM 646 N HIS A 42 3.350 -1.333 7.167 1.00 0.00 N ATOM 647 CA HIS A 42 2.245 -2.292 7.281 1.00 0.00 C ATOM 648 C HIS A 42 1.102 -1.843 6.356 1.00 0.00 C ATOM 649 O HIS A 42 0.584 -0.728 6.511 1.00 0.00 O ATOM 650 CB HIS A 42 1.766 -2.371 8.761 1.00 0.00 C ATOM 651 CG HIS A 42 0.568 -3.272 9.004 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.661 -4.536 9.548 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.752 -3.077 8.773 1.00 0.00 C ATOM 654 CE1 HIS A 42 -0.542 -5.070 9.627 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.410 -4.204 9.167 1.00 0.00 N ATOM 0 H HIS A 42 3.294 -0.567 7.838 1.00 0.00 H new ATOM 0 HA HIS A 42 2.576 -3.286 6.980 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.595 -2.721 9.376 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.519 -1.365 9.101 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.202 -2.190 8.353 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.772 -6.054 10.007 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.418 -4.350 9.112 1.00 0.00 H new ATOM 664 N PHE A 43 0.708 -2.702 5.406 1.00 0.00 N ATOM 665 CA PHE A 43 -0.379 -2.417 4.457 1.00 0.00 C ATOM 666 C PHE A 43 -1.629 -3.249 4.800 1.00 0.00 C ATOM 667 O PHE A 43 -1.517 -4.437 5.136 1.00 0.00 O ATOM 668 CB PHE A 43 0.070 -2.743 3.006 1.00 0.00 C ATOM 669 CG PHE A 43 1.372 -2.057 2.579 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.360 -0.779 2.028 1.00 0.00 C ATOM 671 CD2 PHE A 43 2.608 -2.700 2.717 1.00 0.00 C ATOM 672 CE1 PHE A 43 2.535 -0.171 1.637 1.00 0.00 C ATOM 673 CE2 PHE A 43 3.774 -2.090 2.326 1.00 0.00 C ATOM 674 CZ PHE A 43 3.739 -0.830 1.785 1.00 0.00 C ATOM 0 H PHE A 43 1.136 -3.618 5.273 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.622 -1.357 4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.193 -3.822 2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.723 -2.450 2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.422 -0.258 1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.645 -3.694 3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.513 0.823 1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.718 -2.602 2.444 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.656 -0.352 1.474 1.00 0.00 H new ATOM 684 N ASP A 44 -2.811 -2.609 4.721 1.00 0.00 N ATOM 685 CA ASP A 44 -4.128 -3.283 4.808 1.00 0.00 C ATOM 686 C ASP A 44 -4.956 -2.873 3.580 1.00 0.00 C ATOM 687 O ASP A 44 -5.161 -1.686 3.354 1.00 0.00 O ATOM 688 CB ASP A 44 -4.914 -2.868 6.088 1.00 0.00 C ATOM 689 CG ASP A 44 -4.202 -3.197 7.408 1.00 0.00 C ATOM 690 OD1 ASP A 44 -4.045 -4.389 7.734 1.00 0.00 O ATOM 691 OD2 ASP A 44 -3.817 -2.260 8.143 1.00 0.00 O ATOM 0 H ASP A 44 -2.883 -1.600 4.594 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.960 -4.359 4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.104 -1.795 6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.884 -3.364 6.080 1.00 0.00 H new ATOM 696 N MET A 45 -5.428 -3.838 2.783 1.00 0.00 N ATOM 697 CA MET A 45 -6.285 -3.561 1.612 1.00 0.00 C ATOM 698 C MET A 45 -7.652 -4.240 1.777 1.00 0.00 C ATOM 699 O MET A 45 -7.718 -5.440 2.048 1.00 0.00 O ATOM 700 CB MET A 45 -5.579 -4.033 0.308 1.00 0.00 C ATOM 701 CG MET A 45 -4.342 -3.195 -0.073 1.00 0.00 C ATOM 702 SD MET A 45 -3.567 -3.710 -1.621 1.00 0.00 S ATOM 703 CE MET A 45 -4.942 -3.665 -2.771 1.00 0.00 C ATOM 0 H MET A 45 -5.232 -4.829 2.925 1.00 0.00 H new ATOM 0 HA MET A 45 -6.450 -2.486 1.540 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.278 -5.074 0.426 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.295 -4.000 -0.513 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.634 -2.148 -0.154 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.608 -3.260 0.730 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.605 -3.260 -3.725 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.324 -4.675 -2.920 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.733 -3.033 -2.367 1.00 0.00 H new ATOM 713 N ASP A 46 -8.738 -3.467 1.572 1.00 0.00 N ATOM 714 CA ASP A 46 -10.126 -3.938 1.795 1.00 0.00 C ATOM 715 C ASP A 46 -11.111 -3.172 0.897 1.00 0.00 C ATOM 716 O ASP A 46 -10.793 -2.107 0.403 1.00 0.00 O ATOM 717 CB ASP A 46 -10.528 -3.774 3.295 1.00 0.00 C ATOM 718 CG ASP A 46 -10.701 -2.301 3.732 1.00 0.00 C ATOM 719 OD1 ASP A 46 -9.700 -1.561 3.753 1.00 0.00 O ATOM 720 OD2 ASP A 46 -11.834 -1.871 4.040 1.00 0.00 O ATOM 0 H ASP A 46 -8.681 -2.501 1.248 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.170 -4.996 1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.461 -4.309 3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.768 -4.243 3.920 1.00 0.00 H new ATOM 725 N GLY A 47 -12.295 -3.742 0.677 1.00 0.00 N ATOM 726 CA GLY A 47 -13.372 -3.077 -0.079 1.00 0.00 C ATOM 727 C GLY A 47 -14.405 -4.091 -0.506 1.00 0.00 C ATOM 728 O GLY A 47 -14.631 -5.055 0.229 1.00 0.00 O ATOM 0 H GLY A 47 -12.541 -4.673 1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.838 -2.308 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.958 -2.577 -0.954 1.00 0.00 H new ATOM 732 N GLU A 48 -15.046 -3.897 -1.678 1.00 0.00 N ATOM 733 CA GLU A 48 -15.949 -4.909 -2.249 1.00 0.00 C ATOM 734 C GLU A 48 -15.937 -4.877 -3.800 1.00 0.00 C ATOM 735 O GLU A 48 -16.453 -3.959 -4.438 1.00 0.00 O ATOM 736 CB GLU A 48 -17.400 -4.772 -1.690 1.00 0.00 C ATOM 737 CG GLU A 48 -18.077 -3.381 -1.827 1.00 0.00 C ATOM 738 CD GLU A 48 -17.575 -2.320 -0.825 1.00 0.00 C ATOM 739 OE1 GLU A 48 -18.096 -2.258 0.307 1.00 0.00 O ATOM 740 OE2 GLU A 48 -16.665 -1.534 -1.164 1.00 0.00 O ATOM 0 H GLU A 48 -14.953 -3.052 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.572 -5.883 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.028 -5.506 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.383 -5.039 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.915 -3.011 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -19.153 -3.501 -1.700 1.00 0.00 H new ATOM 747 N ILE A 49 -15.320 -5.920 -4.375 1.00 0.00 N ATOM 748 CA ILE A 49 -15.276 -6.119 -5.848 1.00 0.00 C ATOM 749 C ILE A 49 -16.346 -7.112 -6.287 1.00 0.00 C ATOM 750 O ILE A 49 -16.388 -8.230 -5.772 1.00 0.00 O ATOM 751 CB ILE A 49 -13.870 -6.652 -6.336 1.00 0.00 C ATOM 752 CG1 ILE A 49 -12.724 -5.670 -5.940 1.00 0.00 C ATOM 753 CG2 ILE A 49 -13.864 -6.910 -7.875 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.327 -6.145 -6.318 1.00 0.00 C ATOM 0 H ILE A 49 -14.839 -6.648 -3.846 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.456 -5.143 -6.298 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.691 -7.602 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -12.908 -4.707 -6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.759 -5.506 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.883 -7.276 -8.179 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.621 -7.654 -8.122 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.083 -5.981 -8.401 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.593 -5.402 -6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.118 -7.093 -5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.269 -6.281 -7.398 1.00 0.00 H new ATOM 766 N ASP A 50 -17.202 -6.673 -7.243 1.00 0.00 N ATOM 767 CA ASP A 50 -18.282 -7.495 -7.846 1.00 0.00 C ATOM 768 C ASP A 50 -19.388 -7.793 -6.798 1.00 0.00 C ATOM 769 O ASP A 50 -20.247 -8.657 -6.990 1.00 0.00 O ATOM 770 CB ASP A 50 -17.674 -8.799 -8.480 1.00 0.00 C ATOM 771 CG ASP A 50 -18.634 -9.574 -9.398 1.00 0.00 C ATOM 772 OD1 ASP A 50 -18.930 -9.078 -10.502 1.00 0.00 O ATOM 773 OD2 ASP A 50 -19.094 -10.679 -9.025 1.00 0.00 O ATOM 0 H ASP A 50 -17.162 -5.727 -7.622 1.00 0.00 H new ATOM 0 HA ASP A 50 -18.760 -6.938 -8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -16.785 -8.529 -9.051 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.348 -9.460 -7.677 1.00 0.00 H new ATOM 778 N GLY A 51 -19.379 -7.011 -5.700 1.00 0.00 N ATOM 779 CA GLY A 51 -20.262 -7.229 -4.552 1.00 0.00 C ATOM 780 C GLY A 51 -19.572 -7.936 -3.394 1.00 0.00 C ATOM 781 O GLY A 51 -20.105 -7.940 -2.283 1.00 0.00 O ATOM 0 H GLY A 51 -18.756 -6.211 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.644 -6.268 -4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.122 -7.819 -4.869 1.00 0.00 H new ATOM 785 N LYS A 52 -18.394 -8.544 -3.655 1.00 0.00 N ATOM 786 CA LYS A 52 -17.666 -9.377 -2.679 1.00 0.00 C ATOM 787 C LYS A 52 -16.801 -8.545 -1.714 1.00 0.00 C ATOM 788 O LYS A 52 -15.771 -8.006 -2.142 1.00 0.00 O ATOM 789 CB LYS A 52 -16.760 -10.390 -3.420 1.00 0.00 C ATOM 790 CG LYS A 52 -17.497 -11.339 -4.388 1.00 0.00 C ATOM 791 CD LYS A 52 -16.520 -12.308 -5.090 1.00 0.00 C ATOM 792 CE LYS A 52 -17.216 -13.271 -6.067 1.00 0.00 C ATOM 793 NZ LYS A 52 -16.240 -14.168 -6.746 1.00 0.00 N ATOM 0 H LYS A 52 -17.921 -8.469 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.419 -9.896 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.006 -9.838 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.231 -10.990 -2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.245 -11.911 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -18.030 -10.753 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.772 -11.729 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.989 -12.888 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.947 -13.872 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.764 -12.698 -6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.746 -14.802 -7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.557 -13.595 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.735 -14.733 -6.034 1.00 0.00 H new ATOM 807 N PRO A 53 -17.182 -8.456 -0.392 1.00 0.00 N ATOM 808 CA PRO A 53 -16.361 -7.765 0.621 1.00 0.00 C ATOM 809 C PRO A 53 -15.089 -8.578 0.935 1.00 0.00 C ATOM 810 O PRO A 53 -15.142 -9.814 1.052 1.00 0.00 O ATOM 811 CB PRO A 53 -17.305 -7.660 1.845 1.00 0.00 C ATOM 812 CG PRO A 53 -18.229 -8.834 1.708 1.00 0.00 C ATOM 813 CD PRO A 53 -18.423 -9.028 0.214 1.00 0.00 C ATOM 0 HA PRO A 53 -16.002 -6.788 0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.748 -7.701 2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.855 -6.719 1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.801 -9.725 2.167 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.180 -8.645 2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.541 -10.082 -0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.315 -8.513 -0.142 1.00 0.00 H new ATOM 821 N PHE A 54 -13.952 -7.888 1.074 1.00 0.00 N ATOM 822 CA PHE A 54 -12.644 -8.543 1.243 1.00 0.00 C ATOM 823 C PHE A 54 -11.744 -7.727 2.166 1.00 0.00 C ATOM 824 O PHE A 54 -11.925 -6.517 2.307 1.00 0.00 O ATOM 825 CB PHE A 54 -11.952 -8.786 -0.131 1.00 0.00 C ATOM 826 CG PHE A 54 -11.449 -7.537 -0.873 1.00 0.00 C ATOM 827 CD1 PHE A 54 -12.291 -6.815 -1.714 1.00 0.00 C ATOM 828 CD2 PHE A 54 -10.124 -7.098 -0.735 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.831 -5.700 -2.387 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.669 -5.983 -1.408 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.525 -5.284 -2.234 1.00 0.00 C ATOM 0 H PHE A 54 -13.908 -6.869 1.073 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.816 -9.515 1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.105 -9.454 0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.655 -9.309 -0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.316 -7.130 -1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.449 -7.642 -0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.497 -5.151 -3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.646 -5.658 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.172 -4.410 -2.761 1.00 0.00 H new ATOM 841 N SER A 55 -10.781 -8.418 2.788 1.00 0.00 N ATOM 842 CA SER A 55 -9.736 -7.806 3.611 1.00 0.00 C ATOM 843 C SER A 55 -8.470 -8.681 3.545 1.00 0.00 C ATOM 844 O SER A 55 -8.538 -9.904 3.729 1.00 0.00 O ATOM 845 CB SER A 55 -10.233 -7.622 5.068 1.00 0.00 C ATOM 846 OG SER A 55 -10.778 -8.828 5.593 1.00 0.00 O ATOM 0 H SER A 55 -10.707 -9.434 2.731 1.00 0.00 H new ATOM 0 HA SER A 55 -9.493 -6.815 3.228 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.405 -7.292 5.696 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.989 -6.837 5.099 1.00 0.00 H new ATOM 0 HG SER A 55 -11.080 -8.677 6.513 1.00 0.00 H new ATOM 852 N ASP A 56 -7.331 -8.037 3.262 1.00 0.00 N ATOM 853 CA ASP A 56 -6.025 -8.700 3.080 1.00 0.00 C ATOM 854 C ASP A 56 -4.939 -7.762 3.640 1.00 0.00 C ATOM 855 O ASP A 56 -5.166 -6.554 3.753 1.00 0.00 O ATOM 856 CB ASP A 56 -5.794 -9.007 1.558 1.00 0.00 C ATOM 857 CG ASP A 56 -4.751 -10.118 1.278 1.00 0.00 C ATOM 858 OD1 ASP A 56 -3.598 -10.020 1.738 1.00 0.00 O ATOM 859 OD2 ASP A 56 -5.087 -11.101 0.584 1.00 0.00 O ATOM 0 H ASP A 56 -7.286 -7.024 3.150 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.989 -9.651 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.745 -9.297 1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.474 -8.092 1.060 1.00 0.00 H new ATOM 864 N SER A 57 -3.775 -8.314 4.007 1.00 0.00 N ATOM 865 CA SER A 57 -2.661 -7.532 4.576 1.00 0.00 C ATOM 866 C SER A 57 -1.306 -8.074 4.094 1.00 0.00 C ATOM 867 O SER A 57 -1.124 -9.288 3.951 1.00 0.00 O ATOM 868 CB SER A 57 -2.720 -7.552 6.124 1.00 0.00 C ATOM 869 OG SER A 57 -3.960 -7.052 6.600 1.00 0.00 O ATOM 0 H SER A 57 -3.576 -9.311 3.920 1.00 0.00 H new ATOM 0 HA SER A 57 -2.763 -6.503 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.575 -8.571 6.482 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.904 -6.953 6.529 1.00 0.00 H new ATOM 0 HG SER A 57 -3.831 -6.153 6.968 1.00 0.00 H new ATOM 875 N PHE A 58 -0.367 -7.154 3.837 1.00 0.00 N ATOM 876 CA PHE A 58 1.042 -7.476 3.552 1.00 0.00 C ATOM 877 C PHE A 58 1.936 -6.440 4.225 1.00 0.00 C ATOM 878 O PHE A 58 1.549 -5.285 4.369 1.00 0.00 O ATOM 879 CB PHE A 58 1.325 -7.575 2.020 1.00 0.00 C ATOM 880 CG PHE A 58 0.938 -6.356 1.162 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.391 -6.135 0.795 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.904 -5.450 0.695 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.743 -5.058 0.003 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.547 -4.372 -0.106 1.00 0.00 C ATOM 885 CZ PHE A 58 0.225 -4.180 -0.447 1.00 0.00 C ATOM 0 H PHE A 58 -0.564 -6.153 3.820 1.00 0.00 H new ATOM 0 HA PHE A 58 1.265 -8.461 3.961 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.390 -7.763 1.883 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.795 -8.445 1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.156 -6.817 1.135 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.940 -5.593 0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.778 -4.902 -0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.303 -3.687 -0.460 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.055 -3.341 -1.067 1.00 0.00 H new ATOM 895 N GLU A 59 3.116 -6.873 4.673 1.00 0.00 N ATOM 896 CA GLU A 59 4.091 -6.008 5.358 1.00 0.00 C ATOM 897 C GLU A 59 5.426 -6.115 4.650 1.00 0.00 C ATOM 898 O GLU A 59 5.913 -7.223 4.397 1.00 0.00 O ATOM 899 CB GLU A 59 4.228 -6.408 6.846 1.00 0.00 C ATOM 900 CG GLU A 59 2.952 -6.165 7.669 1.00 0.00 C ATOM 901 CD GLU A 59 3.014 -6.775 9.069 1.00 0.00 C ATOM 902 OE1 GLU A 59 2.738 -7.985 9.212 1.00 0.00 O ATOM 903 OE2 GLU A 59 3.325 -6.049 10.031 1.00 0.00 O ATOM 0 H GLU A 59 3.428 -7.839 4.572 1.00 0.00 H new ATOM 0 HA GLU A 59 3.744 -4.975 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.494 -7.463 6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.049 -5.846 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.781 -5.092 7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.098 -6.582 7.135 1.00 0.00 H new ATOM 910 N LEU A 60 6.009 -4.959 4.329 1.00 0.00 N ATOM 911 CA LEU A 60 7.271 -4.871 3.601 1.00 0.00 C ATOM 912 C LEU A 60 8.240 -4.007 4.411 1.00 0.00 C ATOM 913 O LEU A 60 7.918 -2.852 4.714 1.00 0.00 O ATOM 914 CB LEU A 60 7.017 -4.275 2.189 1.00 0.00 C ATOM 915 CG LEU A 60 6.088 -5.124 1.259 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.802 -4.401 -0.077 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.684 -6.532 1.012 1.00 0.00 C ATOM 0 H LEU A 60 5.613 -4.051 4.570 1.00 0.00 H new ATOM 0 HA LEU A 60 7.711 -5.860 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.578 -3.284 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.978 -4.142 1.691 1.00 0.00 H new ATOM 0 HG LEU A 60 5.135 -5.245 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.154 -5.022 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.310 -3.449 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.740 -4.221 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.018 -7.100 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.660 -6.436 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.794 -7.052 1.963 1.00 0.00 H new ATOM 929 N PRO A 61 9.442 -4.553 4.794 1.00 0.00 N ATOM 930 CA PRO A 61 10.521 -3.755 5.431 1.00 0.00 C ATOM 931 C PRO A 61 11.061 -2.688 4.468 1.00 0.00 C ATOM 932 O PRO A 61 10.798 -2.764 3.281 1.00 0.00 O ATOM 933 CB PRO A 61 11.597 -4.823 5.773 1.00 0.00 C ATOM 934 CG PRO A 61 11.344 -5.934 4.805 1.00 0.00 C ATOM 935 CD PRO A 61 9.844 -5.983 4.651 1.00 0.00 C ATOM 0 HA PRO A 61 10.188 -3.200 6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.604 -4.421 5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.503 -5.165 6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.833 -5.744 3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.734 -6.881 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.551 -6.389 3.683 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.381 -6.610 5.413 1.00 0.00 H new ATOM 943 N ARG A 62 11.794 -1.687 4.998 1.00 0.00 N ATOM 944 CA ARG A 62 12.474 -0.637 4.185 1.00 0.00 C ATOM 945 C ARG A 62 13.289 -1.258 3.016 1.00 0.00 C ATOM 946 O ARG A 62 13.405 -0.665 1.938 1.00 0.00 O ATOM 947 CB ARG A 62 13.393 0.224 5.097 1.00 0.00 C ATOM 948 CG ARG A 62 14.219 1.300 4.355 1.00 0.00 C ATOM 949 CD ARG A 62 15.144 2.104 5.279 1.00 0.00 C ATOM 950 NE ARG A 62 16.133 2.870 4.494 1.00 0.00 N ATOM 951 CZ ARG A 62 16.885 3.883 4.945 1.00 0.00 C ATOM 952 NH1 ARG A 62 16.697 4.403 6.149 1.00 0.00 N ATOM 953 NH2 ARG A 62 17.805 4.396 4.156 1.00 0.00 N ATOM 0 H ARG A 62 11.936 -1.577 6.002 1.00 0.00 H new ATOM 0 HA ARG A 62 11.708 0.001 3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.777 0.715 5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.078 -0.438 5.627 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.819 0.818 3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.538 1.985 3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.552 2.785 5.890 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.659 1.429 5.962 1.00 0.00 H new ATOM 0 HE ARG A 62 16.255 2.603 3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.966 4.032 6.756 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.283 5.174 6.469 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.937 4.022 3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.386 5.168 4.484 1.00 0.00 H new ATOM 967 N ASP A 63 13.788 -2.485 3.264 1.00 0.00 N ATOM 968 CA ASP A 63 14.514 -3.309 2.285 1.00 0.00 C ATOM 969 C ASP A 63 13.681 -3.593 1.004 1.00 0.00 C ATOM 970 O ASP A 63 14.220 -3.546 -0.106 1.00 0.00 O ATOM 971 CB ASP A 63 14.929 -4.637 2.969 1.00 0.00 C ATOM 972 CG ASP A 63 15.666 -5.624 2.043 1.00 0.00 C ATOM 973 OD1 ASP A 63 16.798 -5.318 1.606 1.00 0.00 O ATOM 974 OD2 ASP A 63 15.127 -6.717 1.764 1.00 0.00 O ATOM 0 H ASP A 63 13.694 -2.939 4.173 1.00 0.00 H new ATOM 0 HA ASP A 63 15.394 -2.755 1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.570 -4.409 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.037 -5.124 3.363 1.00 0.00 H new ATOM 979 N THR A 64 12.371 -3.867 1.165 1.00 0.00 N ATOM 980 CA THR A 64 11.472 -4.266 0.052 1.00 0.00 C ATOM 981 C THR A 64 10.195 -3.399 0.005 1.00 0.00 C ATOM 982 O THR A 64 9.238 -3.746 -0.703 1.00 0.00 O ATOM 983 CB THR A 64 11.074 -5.775 0.175 1.00 0.00 C ATOM 984 OG1 THR A 64 10.522 -6.017 1.474 1.00 0.00 O ATOM 985 CG2 THR A 64 12.267 -6.716 -0.065 1.00 0.00 C ATOM 0 H THR A 64 11.902 -3.819 2.069 1.00 0.00 H new ATOM 0 HA THR A 64 12.025 -4.110 -0.874 1.00 0.00 H new ATOM 0 HB THR A 64 10.334 -5.985 -0.597 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.271 -6.961 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.939 -7.751 0.031 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.663 -6.553 -1.067 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.045 -6.512 0.671 1.00 0.00 H new ATOM 993 N ALA A 65 10.196 -2.262 0.734 1.00 0.00 N ATOM 994 CA ALA A 65 9.037 -1.340 0.816 1.00 0.00 C ATOM 995 C ALA A 65 8.711 -0.719 -0.546 1.00 0.00 C ATOM 996 O ALA A 65 7.575 -0.382 -0.818 1.00 0.00 O ATOM 997 CB ALA A 65 9.290 -0.243 1.858 1.00 0.00 C ATOM 0 H ALA A 65 10.999 -1.955 1.283 1.00 0.00 H new ATOM 0 HA ALA A 65 8.173 -1.927 1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.428 0.422 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.447 -0.699 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.175 0.328 1.578 1.00 0.00 H new ATOM 1003 N PHE A 66 9.748 -0.569 -1.375 1.00 0.00 N ATOM 1004 CA PHE A 66 9.650 -0.018 -2.745 1.00 0.00 C ATOM 1005 C PHE A 66 8.943 -0.959 -3.751 1.00 0.00 C ATOM 1006 O PHE A 66 8.744 -0.594 -4.918 1.00 0.00 O ATOM 1007 CB PHE A 66 11.070 0.355 -3.219 1.00 0.00 C ATOM 1008 CG PHE A 66 11.741 1.340 -2.264 1.00 0.00 C ATOM 1009 CD1 PHE A 66 11.315 2.657 -2.221 1.00 0.00 C ATOM 1010 CD2 PHE A 66 12.757 0.943 -1.387 1.00 0.00 C ATOM 1011 CE1 PHE A 66 11.879 3.552 -1.355 1.00 0.00 C ATOM 1012 CE2 PHE A 66 13.322 1.847 -0.509 1.00 0.00 C ATOM 1013 CZ PHE A 66 12.882 3.155 -0.497 1.00 0.00 C ATOM 0 H PHE A 66 10.699 -0.829 -1.116 1.00 0.00 H new ATOM 0 HA PHE A 66 9.015 0.867 -2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.677 -0.547 -3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 66 11.018 0.792 -4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 66 10.525 2.982 -2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 66 13.102 -0.080 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 66 11.537 4.576 -1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 66 14.105 1.532 0.165 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.323 3.867 0.184 1.00 0.00 H new ATOM 1023 N ASN A 67 8.534 -2.145 -3.277 1.00 0.00 N ATOM 1024 CA ASN A 67 7.721 -3.107 -4.050 1.00 0.00 C ATOM 1025 C ASN A 67 6.230 -2.945 -3.703 1.00 0.00 C ATOM 1026 O ASN A 67 5.394 -3.721 -4.188 1.00 0.00 O ATOM 1027 CB ASN A 67 8.167 -4.561 -3.722 1.00 0.00 C ATOM 1028 CG ASN A 67 9.639 -4.856 -4.008 1.00 0.00 C ATOM 1029 OD1 ASN A 67 10.253 -4.267 -4.896 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.211 -5.784 -3.254 1.00 0.00 N ATOM 0 H ASN A 67 8.759 -2.471 -2.337 1.00 0.00 H new ATOM 0 HA ASN A 67 7.867 -2.910 -5.112 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.969 -4.759 -2.669 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.553 -5.254 -4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.190 -6.029 -3.402 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.672 -6.253 -2.526 1.00 0.00 H new ATOM 1037 N PHE A 68 5.917 -1.914 -2.874 1.00 0.00 N ATOM 1038 CA PHE A 68 4.598 -1.708 -2.258 1.00 0.00 C ATOM 1039 C PHE A 68 3.469 -1.692 -3.287 1.00 0.00 C ATOM 1040 O PHE A 68 2.485 -2.398 -3.124 1.00 0.00 O ATOM 1041 CB PHE A 68 4.583 -0.394 -1.421 1.00 0.00 C ATOM 1042 CG PHE A 68 4.671 0.908 -2.224 1.00 0.00 C ATOM 1043 CD1 PHE A 68 5.881 1.352 -2.771 1.00 0.00 C ATOM 1044 CD2 PHE A 68 3.529 1.670 -2.451 1.00 0.00 C ATOM 1045 CE1 PHE A 68 5.941 2.513 -3.512 1.00 0.00 C ATOM 1046 CE2 PHE A 68 3.593 2.831 -3.191 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.798 3.253 -3.724 1.00 0.00 C ATOM 0 H PHE A 68 6.593 -1.195 -2.617 1.00 0.00 H new ATOM 0 HA PHE A 68 4.421 -2.557 -1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.668 -0.373 -0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.416 -0.423 -0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.781 0.776 -2.610 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.582 1.348 -2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.883 2.842 -3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.699 3.414 -3.355 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.843 4.162 -4.306 1.00 0.00 H new ATOM 1057 N ALA A 69 3.649 -0.891 -4.352 1.00 0.00 N ATOM 1058 CA ALA A 69 2.610 -0.626 -5.353 1.00 0.00 C ATOM 1059 C ALA A 69 2.425 -1.817 -6.277 1.00 0.00 C ATOM 1060 O ALA A 69 1.322 -2.046 -6.764 1.00 0.00 O ATOM 1061 CB ALA A 69 2.955 0.630 -6.147 1.00 0.00 C ATOM 0 H ALA A 69 4.527 -0.408 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 69 1.666 -0.462 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.177 0.818 -6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.024 1.481 -5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.911 0.490 -6.652 1.00 0.00 H new ATOM 1067 N SER A 70 3.509 -2.575 -6.488 1.00 0.00 N ATOM 1068 CA SER A 70 3.519 -3.715 -7.405 1.00 0.00 C ATOM 1069 C SER A 70 2.696 -4.861 -6.796 1.00 0.00 C ATOM 1070 O SER A 70 1.874 -5.479 -7.479 1.00 0.00 O ATOM 1071 CB SER A 70 4.980 -4.153 -7.659 1.00 0.00 C ATOM 1072 OG SER A 70 5.783 -3.051 -8.051 1.00 0.00 O ATOM 0 H SER A 70 4.403 -2.412 -6.025 1.00 0.00 H new ATOM 0 HA SER A 70 3.072 -3.437 -8.359 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.390 -4.603 -6.755 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.004 -4.918 -8.435 1.00 0.00 H new ATOM 0 HG SER A 70 6.702 -3.354 -8.204 1.00 0.00 H new ATOM 1078 N ASP A 71 2.932 -5.115 -5.491 1.00 0.00 N ATOM 1079 CA ASP A 71 2.196 -6.131 -4.724 1.00 0.00 C ATOM 1080 C ASP A 71 0.756 -5.656 -4.420 1.00 0.00 C ATOM 1081 O ASP A 71 -0.169 -6.455 -4.467 1.00 0.00 O ATOM 1082 CB ASP A 71 2.954 -6.488 -3.423 1.00 0.00 C ATOM 1083 CG ASP A 71 2.370 -7.733 -2.721 1.00 0.00 C ATOM 1084 OD1 ASP A 71 2.701 -8.866 -3.130 1.00 0.00 O ATOM 1085 OD2 ASP A 71 1.570 -7.594 -1.787 1.00 0.00 O ATOM 0 H ASP A 71 3.637 -4.620 -4.945 1.00 0.00 H new ATOM 0 HA ASP A 71 2.126 -7.034 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.004 -6.665 -3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.917 -5.639 -2.740 1.00 0.00 H new ATOM 1090 N ALA A 72 0.604 -4.365 -4.066 1.00 0.00 N ATOM 1091 CA ALA A 72 -0.723 -3.691 -3.959 1.00 0.00 C ATOM 1092 C ALA A 72 -1.590 -3.892 -5.223 1.00 0.00 C ATOM 1093 O ALA A 72 -2.796 -4.124 -5.129 1.00 0.00 O ATOM 1094 CB ALA A 72 -0.551 -2.192 -3.664 1.00 0.00 C ATOM 0 H ALA A 72 1.390 -3.754 -3.845 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.248 -4.160 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.531 -1.721 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.016 -2.065 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.016 -1.725 -4.469 1.00 0.00 H new ATOM 1100 N THR A 73 -0.947 -3.815 -6.399 1.00 0.00 N ATOM 1101 CA THR A 73 -1.616 -4.075 -7.686 1.00 0.00 C ATOM 1102 C THR A 73 -1.920 -5.580 -7.819 1.00 0.00 C ATOM 1103 O THR A 73 -3.020 -5.959 -8.199 1.00 0.00 O ATOM 1104 CB THR A 73 -0.754 -3.565 -8.893 1.00 0.00 C ATOM 1105 OG1 THR A 73 -0.553 -2.148 -8.760 1.00 0.00 O ATOM 1106 CG2 THR A 73 -1.401 -3.845 -10.268 1.00 0.00 C ATOM 0 H THR A 73 0.040 -3.574 -6.486 1.00 0.00 H new ATOM 0 HA THR A 73 -2.555 -3.522 -7.706 1.00 0.00 H new ATOM 0 HB THR A 73 0.189 -4.111 -8.861 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.198 -1.980 -8.153 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.753 -3.467 -11.059 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.538 -4.919 -10.394 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.369 -3.347 -10.323 1.00 0.00 H new ATOM 1114 N ARG A 74 -0.938 -6.419 -7.440 1.00 0.00 N ATOM 1115 CA ARG A 74 -1.022 -7.894 -7.511 1.00 0.00 C ATOM 1116 C ARG A 74 -2.246 -8.433 -6.747 1.00 0.00 C ATOM 1117 O ARG A 74 -3.058 -9.159 -7.318 1.00 0.00 O ATOM 1118 CB ARG A 74 0.303 -8.485 -6.949 1.00 0.00 C ATOM 1119 CG ARG A 74 0.373 -10.021 -6.797 1.00 0.00 C ATOM 1120 CD ARG A 74 1.677 -10.459 -6.099 1.00 0.00 C ATOM 1121 NE ARG A 74 1.748 -11.913 -5.863 1.00 0.00 N ATOM 1122 CZ ARG A 74 2.286 -12.491 -4.768 1.00 0.00 C ATOM 1123 NH1 ARG A 74 2.680 -11.755 -3.732 1.00 0.00 N ATOM 1124 NH2 ARG A 74 2.396 -13.807 -4.702 1.00 0.00 N ATOM 0 H ARG A 74 -0.048 -6.087 -7.069 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.152 -8.201 -8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.118 -8.171 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.486 -8.038 -5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.484 -10.371 -6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.310 -10.489 -7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.528 -10.154 -6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.764 -9.938 -5.146 1.00 0.00 H new ATOM 0 HE ARG A 74 1.362 -12.527 -6.580 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.577 -10.741 -3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.085 -12.205 -2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.074 -14.385 -5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.802 -14.244 -3.875 1.00 0.00 H new ATOM 1138 N VAL A 75 -2.375 -8.038 -5.469 1.00 0.00 N ATOM 1139 CA VAL A 75 -3.465 -8.489 -4.584 1.00 0.00 C ATOM 1140 C VAL A 75 -4.818 -7.895 -5.013 1.00 0.00 C ATOM 1141 O VAL A 75 -5.849 -8.565 -4.899 1.00 0.00 O ATOM 1142 CB VAL A 75 -3.147 -8.199 -3.067 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -2.940 -6.705 -2.787 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -4.224 -8.796 -2.128 1.00 0.00 C ATOM 0 H VAL A 75 -1.724 -7.395 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.541 -9.571 -4.687 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.203 -8.700 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.724 -6.560 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.105 -6.336 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.844 -6.157 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.967 -8.574 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.194 -8.359 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.269 -9.876 -2.267 1.00 0.00 H new ATOM 1154 N ALA A 76 -4.796 -6.667 -5.569 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.004 -6.017 -6.118 1.00 0.00 C ATOM 1156 C ALA A 76 -6.582 -6.850 -7.284 1.00 0.00 C ATOM 1157 O ALA A 76 -7.802 -6.981 -7.440 1.00 0.00 O ATOM 1158 CB ALA A 76 -5.651 -4.600 -6.596 1.00 0.00 C ATOM 0 H ALA A 76 -3.950 -6.103 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.762 -5.953 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.542 -4.120 -7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.274 -4.016 -5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.886 -4.657 -7.370 1.00 0.00 H new ATOM 1164 N GLN A 77 -5.656 -7.427 -8.065 1.00 0.00 N ATOM 1165 CA GLN A 77 -5.967 -8.273 -9.228 1.00 0.00 C ATOM 1166 C GLN A 77 -6.429 -9.685 -8.819 1.00 0.00 C ATOM 1167 O GLN A 77 -7.344 -10.238 -9.449 1.00 0.00 O ATOM 1168 CB GLN A 77 -4.742 -8.355 -10.173 1.00 0.00 C ATOM 1169 CG GLN A 77 -4.316 -6.998 -10.772 1.00 0.00 C ATOM 1170 CD GLN A 77 -3.020 -7.059 -11.581 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -2.175 -7.914 -11.355 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -2.827 -6.115 -12.482 1.00 0.00 N ATOM 0 H GLN A 77 -4.655 -7.317 -7.904 1.00 0.00 H new ATOM 0 HA GLN A 77 -6.798 -7.806 -9.756 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.901 -8.778 -9.624 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.970 -9.044 -10.987 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.116 -6.627 -11.413 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.195 -6.277 -9.964 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.549 -5.415 -12.650 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.955 -6.085 -13.011 1.00 0.00 H new ATOM 1181 N LYS A 78 -5.778 -10.271 -7.781 1.00 0.00 N ATOM 1182 CA LYS A 78 -6.118 -11.614 -7.236 1.00 0.00 C ATOM 1183 C LYS A 78 -7.610 -11.739 -6.866 1.00 0.00 C ATOM 1184 O LYS A 78 -8.219 -12.794 -7.056 1.00 0.00 O ATOM 1185 CB LYS A 78 -5.249 -11.925 -5.984 1.00 0.00 C ATOM 1186 CG LYS A 78 -3.734 -12.081 -6.270 1.00 0.00 C ATOM 1187 CD LYS A 78 -2.884 -12.268 -4.983 1.00 0.00 C ATOM 1188 CE LYS A 78 -3.245 -13.548 -4.206 1.00 0.00 C ATOM 1189 NZ LYS A 78 -2.991 -14.782 -4.997 1.00 0.00 N ATOM 0 H LYS A 78 -5.000 -9.825 -7.296 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.908 -12.336 -8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.387 -11.126 -5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.614 -12.843 -5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.581 -12.938 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.380 -11.201 -6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.828 -12.298 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.023 -11.404 -4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.666 -13.585 -3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.296 -13.512 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.169 -15.617 -4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.624 -14.802 -5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.002 -14.790 -5.319 1.00 0.00 H new ATOM 1203 N HIS A 79 -8.185 -10.635 -6.367 1.00 0.00 N ATOM 1204 CA HIS A 79 -9.608 -10.563 -5.969 1.00 0.00 C ATOM 1205 C HIS A 79 -10.570 -10.371 -7.171 1.00 0.00 C ATOM 1206 O HIS A 79 -11.695 -9.888 -6.976 1.00 0.00 O ATOM 1207 CB HIS A 79 -9.793 -9.444 -4.899 1.00 0.00 C ATOM 1208 CG HIS A 79 -9.242 -9.815 -3.540 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -7.984 -9.783 -3.037 1.00 0.00 N flip ATOM 1210 CD2 HIS A 79 -10.026 -10.329 -2.532 1.00 0.00 C flip ATOM 1211 CE1 HIS A 79 -8.032 -10.276 -1.759 1.00 0.00 C flip ATOM 1212 NE2 HIS A 79 -9.275 -10.591 -1.479 1.00 0.00 N flip ATOM 0 H HIS A 79 -7.678 -9.761 -6.226 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.879 -11.525 -5.535 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.302 -8.535 -5.246 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.854 -9.216 -4.802 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.151 -9.451 -3.523 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.092 -10.493 -2.593 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.188 -10.387 -1.094 1.00 0.00 H new ATOM 1221 N GLY A 80 -10.143 -10.802 -8.392 1.00 0.00 N ATOM 1222 CA GLY A 80 -10.989 -10.789 -9.592 1.00 0.00 C ATOM 1223 C GLY A 80 -11.534 -9.422 -9.951 1.00 0.00 C ATOM 1224 O GLY A 80 -12.755 -9.234 -10.000 1.00 0.00 O ATOM 0 H GLY A 80 -9.204 -11.164 -8.558 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.412 -11.171 -10.434 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.824 -11.473 -9.442 1.00 0.00 H new ATOM 1228 N LEU A 81 -10.627 -8.465 -10.196 1.00 0.00 N ATOM 1229 CA LEU A 81 -11.012 -7.061 -10.434 1.00 0.00 C ATOM 1230 C LEU A 81 -11.575 -6.858 -11.857 1.00 0.00 C ATOM 1231 O LEU A 81 -12.400 -5.980 -12.049 1.00 0.00 O ATOM 1232 CB LEU A 81 -9.818 -6.083 -10.146 1.00 0.00 C ATOM 1233 CG LEU A 81 -8.762 -5.818 -11.283 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -7.665 -4.846 -10.792 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -8.134 -7.126 -11.829 1.00 0.00 C ATOM 0 H LEU A 81 -9.622 -8.635 -10.235 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.811 -6.821 -9.732 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.242 -5.121 -9.859 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.280 -6.466 -9.279 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.297 -5.356 -12.112 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.945 -4.676 -11.592 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.120 -3.898 -10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.155 -5.278 -9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.413 -6.885 -12.610 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.629 -7.653 -11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.918 -7.761 -12.242 1.00 0.00 H new ATOM 1466 N TYR A 95 2.779 6.469 -8.945 1.00 0.00 N ATOM 1467 CA TYR A 95 3.764 5.544 -8.373 1.00 0.00 C ATOM 1468 C TYR A 95 4.890 6.336 -7.716 1.00 0.00 C ATOM 1469 O TYR A 95 5.138 6.162 -6.536 1.00 0.00 O ATOM 1470 CB TYR A 95 4.338 4.591 -9.461 1.00 0.00 C ATOM 1471 CG TYR A 95 5.447 3.634 -8.960 1.00 0.00 C ATOM 1472 CD1 TYR A 95 5.143 2.555 -8.134 1.00 0.00 C ATOM 1473 CD2 TYR A 95 6.796 3.821 -9.302 1.00 0.00 C ATOM 1474 CE1 TYR A 95 6.123 1.695 -7.677 1.00 0.00 C ATOM 1475 CE2 TYR A 95 7.779 2.960 -8.846 1.00 0.00 C ATOM 1476 CZ TYR A 95 7.434 1.900 -8.034 1.00 0.00 C ATOM 1477 OH TYR A 95 8.405 1.032 -7.579 1.00 0.00 O ATOM 0 HA TYR A 95 3.267 4.931 -7.622 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.522 3.997 -9.872 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.737 5.192 -10.278 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.117 2.386 -7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.072 4.653 -9.933 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.859 0.863 -7.040 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.811 3.117 -9.125 1.00 0.00 H new ATOM 0 HH TYR A 95 9.031 1.515 -7.000 1.00 0.00 H new ATOM 1487 N ASP A 96 5.534 7.225 -8.501 1.00 0.00 N ATOM 1488 CA ASP A 96 6.652 8.081 -8.045 1.00 0.00 C ATOM 1489 C ASP A 96 6.259 8.952 -6.834 1.00 0.00 C ATOM 1490 O ASP A 96 7.061 9.139 -5.925 1.00 0.00 O ATOM 1491 CB ASP A 96 7.140 8.972 -9.221 1.00 0.00 C ATOM 1492 CG ASP A 96 8.264 9.966 -8.841 1.00 0.00 C ATOM 1493 OD1 ASP A 96 9.451 9.581 -8.870 1.00 0.00 O ATOM 1494 OD2 ASP A 96 7.963 11.140 -8.520 1.00 0.00 O ATOM 0 H ASP A 96 5.290 7.371 -9.481 1.00 0.00 H new ATOM 0 HA ASP A 96 7.463 7.429 -7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.496 8.329 -10.026 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.292 9.533 -9.613 1.00 0.00 H new ATOM 1499 N ALA A 97 5.023 9.476 -6.836 1.00 0.00 N ATOM 1500 CA ALA A 97 4.537 10.373 -5.775 1.00 0.00 C ATOM 1501 C ALA A 97 4.472 9.638 -4.425 1.00 0.00 C ATOM 1502 O ALA A 97 4.988 10.127 -3.414 1.00 0.00 O ATOM 1503 CB ALA A 97 3.161 10.942 -6.166 1.00 0.00 C ATOM 0 H ALA A 97 4.337 9.292 -7.568 1.00 0.00 H new ATOM 0 HA ALA A 97 5.236 11.201 -5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.804 11.606 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.250 11.500 -7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.453 10.124 -6.299 1.00 0.00 H new ATOM 1509 N MET A 98 3.828 8.459 -4.434 1.00 0.00 N ATOM 1510 CA MET A 98 3.692 7.601 -3.238 1.00 0.00 C ATOM 1511 C MET A 98 5.043 6.956 -2.842 1.00 0.00 C ATOM 1512 O MET A 98 5.305 6.740 -1.664 1.00 0.00 O ATOM 1513 CB MET A 98 2.591 6.532 -3.494 1.00 0.00 C ATOM 1514 CG MET A 98 2.020 5.865 -2.229 1.00 0.00 C ATOM 1515 SD MET A 98 0.700 4.675 -2.580 1.00 0.00 S ATOM 1516 CE MET A 98 -0.517 5.697 -3.422 1.00 0.00 C ATOM 0 H MET A 98 3.386 8.071 -5.268 1.00 0.00 H new ATOM 0 HA MET A 98 3.389 8.218 -2.392 1.00 0.00 H new ATOM 0 HB2 MET A 98 1.772 7.000 -4.040 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.003 5.757 -4.140 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.826 5.357 -1.699 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.636 6.637 -1.562 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.488 5.575 -2.943 1.00 0.00 H new ATOM 0 HE2 MET A 98 -0.214 6.743 -3.368 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.587 5.393 -4.466 1.00 0.00 H new ATOM 1526 N PHE A 99 5.888 6.693 -3.852 1.00 0.00 N ATOM 1527 CA PHE A 99 7.225 6.062 -3.696 1.00 0.00 C ATOM 1528 C PHE A 99 8.155 6.959 -2.869 1.00 0.00 C ATOM 1529 O PHE A 99 8.690 6.546 -1.834 1.00 0.00 O ATOM 1530 CB PHE A 99 7.812 5.819 -5.120 1.00 0.00 C ATOM 1531 CG PHE A 99 9.173 5.117 -5.222 1.00 0.00 C ATOM 1532 CD1 PHE A 99 10.370 5.831 -5.120 1.00 0.00 C ATOM 1533 CD2 PHE A 99 9.250 3.746 -5.471 1.00 0.00 C ATOM 1534 CE1 PHE A 99 11.589 5.200 -5.257 1.00 0.00 C ATOM 1535 CE2 PHE A 99 10.471 3.115 -5.606 1.00 0.00 C ATOM 1536 CZ PHE A 99 11.641 3.841 -5.499 1.00 0.00 C ATOM 0 H PHE A 99 5.664 6.914 -4.822 1.00 0.00 H new ATOM 0 HA PHE A 99 7.133 5.115 -3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.089 5.231 -5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.895 6.785 -5.617 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.340 6.894 -4.931 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.341 3.170 -5.559 1.00 0.00 H new ATOM 0 HE1 PHE A 99 12.503 5.769 -5.175 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.511 2.053 -5.795 1.00 0.00 H new ATOM 0 HZ PHE A 99 12.595 3.347 -5.604 1.00 0.00 H new ATOM 1546 N GLU A 100 8.312 8.199 -3.349 1.00 0.00 N ATOM 1547 CA GLU A 100 9.195 9.202 -2.748 1.00 0.00 C ATOM 1548 C GLU A 100 8.680 9.708 -1.398 1.00 0.00 C ATOM 1549 O GLU A 100 9.475 10.139 -0.549 1.00 0.00 O ATOM 1550 CB GLU A 100 9.382 10.366 -3.733 1.00 0.00 C ATOM 1551 CG GLU A 100 10.032 9.975 -5.085 1.00 0.00 C ATOM 1552 CD GLU A 100 11.565 9.849 -5.039 1.00 0.00 C ATOM 1553 OE1 GLU A 100 12.091 9.094 -4.211 1.00 0.00 O ATOM 1554 OE2 GLU A 100 12.255 10.519 -5.839 1.00 0.00 O ATOM 0 H GLU A 100 7.822 8.537 -4.177 1.00 0.00 H new ATOM 0 HA GLU A 100 10.156 8.727 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.409 10.816 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.997 11.130 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 100 9.611 9.025 -5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.763 10.721 -5.833 1.00 0.00 H new ATOM 1561 N ASP A 101 7.355 9.679 -1.219 1.00 0.00 N ATOM 1562 CA ASP A 101 6.729 10.044 0.058 1.00 0.00 C ATOM 1563 C ASP A 101 7.076 8.990 1.127 1.00 0.00 C ATOM 1564 O ASP A 101 7.488 9.338 2.239 1.00 0.00 O ATOM 1565 CB ASP A 101 5.196 10.174 -0.112 1.00 0.00 C ATOM 1566 CG ASP A 101 4.465 10.648 1.163 1.00 0.00 C ATOM 1567 OD1 ASP A 101 4.224 9.821 2.069 1.00 0.00 O ATOM 1568 OD2 ASP A 101 4.116 11.842 1.258 1.00 0.00 O ATOM 0 H ASP A 101 6.693 9.406 -1.945 1.00 0.00 H new ATOM 0 HA ASP A 101 7.115 11.010 0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.988 10.875 -0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.790 9.209 -0.414 1.00 0.00 H new ATOM 1573 N ILE A 102 6.881 7.698 0.775 1.00 0.00 N ATOM 1574 CA ILE A 102 7.170 6.569 1.678 1.00 0.00 C ATOM 1575 C ILE A 102 8.663 6.529 2.072 1.00 0.00 C ATOM 1576 O ILE A 102 8.957 6.336 3.241 1.00 0.00 O ATOM 1577 CB ILE A 102 6.688 5.184 1.067 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.120 5.112 1.057 1.00 0.00 C ATOM 1579 CG2 ILE A 102 7.292 3.956 1.812 1.00 0.00 C ATOM 1580 CD1 ILE A 102 4.517 3.825 0.496 1.00 0.00 C ATOM 0 H ILE A 102 6.522 7.414 -0.136 1.00 0.00 H new ATOM 0 HA ILE A 102 6.596 6.731 2.590 1.00 0.00 H new ATOM 0 HB ILE A 102 7.056 5.139 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.763 5.243 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.740 5.952 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.929 3.037 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.380 3.989 1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.991 3.982 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.429 3.885 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.834 3.696 -0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.857 2.976 1.089 1.00 0.00 H new ATOM 1592 N ARG A 103 9.592 6.752 1.109 1.00 0.00 N ATOM 1593 CA ARG A 103 11.055 6.728 1.390 1.00 0.00 C ATOM 1594 C ARG A 103 11.470 7.877 2.323 1.00 0.00 C ATOM 1595 O ARG A 103 12.409 7.735 3.120 1.00 0.00 O ATOM 1596 CB ARG A 103 11.897 6.689 0.080 1.00 0.00 C ATOM 1597 CG ARG A 103 11.899 7.926 -0.850 1.00 0.00 C ATOM 1598 CD ARG A 103 12.911 9.023 -0.464 1.00 0.00 C ATOM 1599 NE ARG A 103 13.217 9.890 -1.612 1.00 0.00 N ATOM 1600 CZ ARG A 103 14.380 10.524 -1.820 1.00 0.00 C ATOM 1601 NH1 ARG A 103 15.297 10.613 -0.861 1.00 0.00 N ATOM 1602 NH2 ARG A 103 14.609 11.088 -2.996 1.00 0.00 N ATOM 0 H ARG A 103 9.359 6.950 0.136 1.00 0.00 H new ATOM 0 HA ARG A 103 11.270 5.801 1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.931 6.486 0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.553 5.837 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.111 7.598 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.899 8.360 -0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.508 9.623 0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.829 8.563 -0.097 1.00 0.00 H new ATOM 0 HE ARG A 103 12.483 10.020 -2.308 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.122 10.195 0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.176 11.100 -1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.904 11.037 -3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.490 11.573 -3.166 1.00 0.00 H new ATOM 1616 N ALA A 104 10.748 9.007 2.221 1.00 0.00 N ATOM 1617 CA ALA A 104 10.953 10.164 3.100 1.00 0.00 C ATOM 1618 C ALA A 104 10.550 9.811 4.547 1.00 0.00 C ATOM 1619 O ALA A 104 11.242 10.172 5.505 1.00 0.00 O ATOM 1620 CB ALA A 104 10.151 11.369 2.583 1.00 0.00 C ATOM 0 H ALA A 104 10.010 9.140 1.529 1.00 0.00 H new ATOM 0 HA ALA A 104 12.010 10.431 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.310 12.222 3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.483 11.622 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.090 11.119 2.563 1.00 0.00 H new ATOM 1626 N LYS A 105 9.409 9.110 4.675 1.00 0.00 N ATOM 1627 CA LYS A 105 8.881 8.629 5.965 1.00 0.00 C ATOM 1628 C LYS A 105 9.698 7.442 6.545 1.00 0.00 C ATOM 1629 O LYS A 105 9.741 7.263 7.767 1.00 0.00 O ATOM 1630 CB LYS A 105 7.380 8.258 5.803 1.00 0.00 C ATOM 1631 CG LYS A 105 6.579 8.012 7.114 1.00 0.00 C ATOM 1632 CD LYS A 105 6.192 9.292 7.912 1.00 0.00 C ATOM 1633 CE LYS A 105 7.341 9.912 8.733 1.00 0.00 C ATOM 1634 NZ LYS A 105 6.877 11.075 9.529 1.00 0.00 N ATOM 0 H LYS A 105 8.822 8.859 3.879 1.00 0.00 H new ATOM 0 HA LYS A 105 8.978 9.438 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.889 9.058 5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.315 7.359 5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.667 7.470 6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.168 7.364 7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.818 10.040 7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.372 9.049 8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.761 9.158 9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.141 10.225 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.675 11.467 10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.499 11.804 8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.131 10.770 10.187 1.00 0.00 H new ATOM 1648 N LEU A 106 10.324 6.629 5.662 1.00 0.00 N ATOM 1649 CA LEU A 106 11.236 5.529 6.068 1.00 0.00 C ATOM 1650 C LEU A 106 12.478 6.092 6.783 1.00 0.00 C ATOM 1651 O LEU A 106 13.007 5.471 7.708 1.00 0.00 O ATOM 1652 CB LEU A 106 11.662 4.662 4.843 1.00 0.00 C ATOM 1653 CG LEU A 106 10.550 3.763 4.200 1.00 0.00 C ATOM 1654 CD1 LEU A 106 11.046 3.095 2.894 1.00 0.00 C ATOM 1655 CD2 LEU A 106 10.036 2.697 5.198 1.00 0.00 C ATOM 0 H LEU A 106 10.213 6.715 4.652 1.00 0.00 H new ATOM 0 HA LEU A 106 10.693 4.887 6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.050 5.328 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.485 4.018 5.151 1.00 0.00 H new ATOM 0 HG LEU A 106 9.715 4.417 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.250 2.479 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.326 3.865 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.912 2.470 3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.266 2.092 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.863 2.057 5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.616 3.191 6.074 1.00 0.00 H new ATOM 1667 N HIS A 107 12.921 7.284 6.343 1.00 0.00 N ATOM 1668 CA HIS A 107 14.017 8.045 6.985 1.00 0.00 C ATOM 1669 C HIS A 107 13.598 8.584 8.382 1.00 0.00 C ATOM 1670 O HIS A 107 14.461 8.962 9.180 1.00 0.00 O ATOM 1671 CB HIS A 107 14.430 9.212 6.046 1.00 0.00 C ATOM 1672 CG HIS A 107 15.721 9.917 6.399 1.00 0.00 C ATOM 1673 ND1 HIS A 107 16.936 9.563 5.857 1.00 0.00 N ATOM 1674 CD2 HIS A 107 15.978 10.963 7.221 1.00 0.00 C ATOM 1675 CE1 HIS A 107 17.876 10.354 6.327 1.00 0.00 C ATOM 1676 NE2 HIS A 107 17.320 11.208 7.157 1.00 0.00 N ATOM 0 H HIS A 107 12.528 7.752 5.527 1.00 0.00 H new ATOM 0 HA HIS A 107 14.865 7.379 7.144 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.516 8.823 5.031 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.626 9.948 6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.256 11.503 7.816 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.925 10.309 6.074 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.813 11.938 7.672 1.00 0.00 H new ATOM 1685 N ALA A 108 12.260 8.623 8.626 1.00 0.00 N ATOM 1686 CA ALA A 108 11.600 9.175 9.840 1.00 0.00 C ATOM 1687 C ALA A 108 11.490 10.699 9.717 1.00 0.00 C ATOM 1688 O ALA A 108 10.384 11.257 9.733 1.00 0.00 O ATOM 1689 CB ALA A 108 12.261 8.748 11.172 1.00 0.00 C ATOM 0 H ALA A 108 11.585 8.256 7.955 1.00 0.00 H new ATOM 0 HA ALA A 108 10.601 8.741 9.884 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.719 9.193 12.006 1.00 0.00 H new ATOM 0 HB2 ALA A 108 12.234 7.662 11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 108 13.297 9.088 11.190 1.00 0.00 H new ATOM 1727 N GLY A 111 13.036 12.834 4.296 1.00 0.00 N ATOM 1728 CA GLY A 111 14.113 12.814 3.306 1.00 0.00 C ATOM 1729 C GLY A 111 13.539 12.820 1.898 1.00 0.00 C ATOM 1730 O GLY A 111 13.592 11.811 1.186 1.00 0.00 O ATOM 0 HA2 GLY A 111 14.760 13.680 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.731 11.928 3.450 1.00 0.00 H new ATOM 1734 N GLU A 112 12.960 13.972 1.527 1.00 0.00 N ATOM 1735 CA GLU A 112 12.165 14.143 0.295 1.00 0.00 C ATOM 1736 C GLU A 112 13.048 14.203 -0.982 1.00 0.00 C ATOM 1737 O GLU A 112 14.250 14.479 -0.884 1.00 0.00 O ATOM 1738 CB GLU A 112 11.312 15.431 0.438 1.00 0.00 C ATOM 1739 CG GLU A 112 10.242 15.360 1.546 1.00 0.00 C ATOM 1740 CD GLU A 112 9.430 16.657 1.668 1.00 0.00 C ATOM 1741 OE1 GLU A 112 8.643 16.963 0.748 1.00 0.00 O ATOM 1742 OE2 GLU A 112 9.577 17.383 2.674 1.00 0.00 O ATOM 0 H GLU A 112 13.030 14.826 2.081 1.00 0.00 H new ATOM 0 HA GLU A 112 11.521 13.272 0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.975 16.272 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 112 10.821 15.636 -0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.566 14.531 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.725 15.148 2.500 1.00 0.00 H new ATOM 1749 N PRO A 113 12.456 13.927 -2.201 1.00 0.00 N ATOM 1750 CA PRO A 113 13.188 13.984 -3.494 1.00 0.00 C ATOM 1751 C PRO A 113 13.799 15.371 -3.802 1.00 0.00 C ATOM 1752 O PRO A 113 13.111 16.273 -4.297 1.00 0.00 O ATOM 1753 CB PRO A 113 12.111 13.586 -4.542 1.00 0.00 C ATOM 1754 CG PRO A 113 10.803 13.834 -3.859 1.00 0.00 C ATOM 1755 CD PRO A 113 11.046 13.489 -2.413 1.00 0.00 C ATOM 0 HA PRO A 113 14.055 13.323 -3.490 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.203 14.183 -5.450 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.212 12.541 -4.836 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.491 14.872 -3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.012 13.216 -4.285 1.00 0.00 H new ATOM 0 HD2 PRO A 113 10.356 14.012 -1.751 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.921 12.423 -2.225 1.00 0.00 H new ATOM 1763 N VAL A 114 15.094 15.521 -3.470 1.00 0.00 N ATOM 1764 CA VAL A 114 15.887 16.718 -3.794 1.00 0.00 C ATOM 1765 C VAL A 114 17.386 16.434 -3.547 1.00 0.00 C ATOM 1766 O VAL A 114 17.757 15.812 -2.544 1.00 0.00 O ATOM 1767 CB VAL A 114 15.405 18.001 -2.993 1.00 0.00 C ATOM 1768 CG1 VAL A 114 15.572 17.843 -1.461 1.00 0.00 C ATOM 1769 CG2 VAL A 114 16.096 19.287 -3.511 1.00 0.00 C ATOM 0 H VAL A 114 15.622 14.809 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 114 15.735 16.943 -4.850 1.00 0.00 H new ATOM 0 HB VAL A 114 14.336 18.101 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.227 18.749 -0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 114 14.983 16.993 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.623 17.676 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 114 15.742 20.145 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.175 19.193 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 114 15.857 19.429 -4.565 1.00 0.00 H new ATOM 1779 N ASP A 115 18.235 16.877 -4.491 1.00 0.00 N ATOM 1780 CA ASP A 115 19.696 16.616 -4.484 1.00 0.00 C ATOM 1781 C ASP A 115 20.470 17.935 -4.627 1.00 0.00 C ATOM 1782 O ASP A 115 21.500 18.001 -5.317 1.00 0.00 O ATOM 1783 CB ASP A 115 20.064 15.623 -5.624 1.00 0.00 C ATOM 1784 CG ASP A 115 19.454 14.228 -5.438 1.00 0.00 C ATOM 1785 OD1 ASP A 115 20.087 13.368 -4.796 1.00 0.00 O ATOM 1786 OD2 ASP A 115 18.339 13.985 -5.938 1.00 0.00 O ATOM 0 H ASP A 115 17.929 17.432 -5.290 1.00 0.00 H new ATOM 0 HA ASP A 115 19.975 16.162 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 115 19.728 16.034 -6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 115 21.149 15.532 -5.681 1.00 0.00 H new ATOM 1791 N LEU A 116 19.993 18.969 -3.912 1.00 0.00 N ATOM 1792 CA LEU A 116 20.577 20.326 -3.942 1.00 0.00 C ATOM 1793 C LEU A 116 22.044 20.338 -3.449 1.00 0.00 C ATOM 1794 O LEU A 116 22.876 21.072 -3.988 1.00 0.00 O ATOM 1795 CB LEU A 116 19.669 21.317 -3.136 1.00 0.00 C ATOM 1796 CG LEU A 116 19.316 20.958 -1.635 1.00 0.00 C ATOM 1797 CD1 LEU A 116 20.416 21.399 -0.636 1.00 0.00 C ATOM 1798 CD2 LEU A 116 17.951 21.552 -1.219 1.00 0.00 C ATOM 0 H LEU A 116 19.187 18.888 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 116 20.609 20.664 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 116 20.156 22.292 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.731 21.427 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 116 19.256 19.870 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 116 20.118 21.127 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.354 20.902 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 116 20.551 22.479 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.739 21.287 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.981 22.637 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.168 21.151 -1.863 1.00 0.00 H new ATOM 1810 N GLU A 117 22.342 19.483 -2.454 1.00 0.00 N ATOM 1811 CA GLU A 117 23.667 19.408 -1.801 1.00 0.00 C ATOM 1812 C GLU A 117 24.584 18.374 -2.496 1.00 0.00 C ATOM 1813 O GLU A 117 25.783 18.298 -2.201 1.00 0.00 O ATOM 1814 CB GLU A 117 23.461 19.057 -0.298 1.00 0.00 C ATOM 1815 CG GLU A 117 24.737 19.053 0.573 1.00 0.00 C ATOM 1816 CD GLU A 117 24.456 18.727 2.047 1.00 0.00 C ATOM 1817 OE1 GLU A 117 24.320 17.531 2.391 1.00 0.00 O ATOM 1818 OE2 GLU A 117 24.360 19.665 2.867 1.00 0.00 O ATOM 0 H GLU A 117 21.667 18.819 -2.076 1.00 0.00 H new ATOM 0 HA GLU A 117 24.166 20.374 -1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 117 22.755 19.770 0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 117 22.998 18.072 -0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 117 25.441 18.323 0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 117 25.218 20.029 0.508 1.00 0.00 H new ATOM 1825 N ARG A 118 24.033 17.615 -3.470 1.00 0.00 N ATOM 1826 CA ARG A 118 24.775 16.510 -4.127 1.00 0.00 C ATOM 1827 C ARG A 118 25.796 17.042 -5.177 1.00 0.00 C ATOM 1828 O ARG A 118 26.447 16.255 -5.876 1.00 0.00 O ATOM 1829 CB ARG A 118 23.778 15.497 -4.767 1.00 0.00 C ATOM 1830 CG ARG A 118 24.366 14.085 -5.033 1.00 0.00 C ATOM 1831 CD ARG A 118 23.411 13.171 -5.818 1.00 0.00 C ATOM 1832 NE ARG A 118 23.176 13.660 -7.190 1.00 0.00 N ATOM 1833 CZ ARG A 118 22.155 13.296 -7.977 1.00 0.00 C ATOM 1834 NH1 ARG A 118 21.210 12.472 -7.541 1.00 0.00 N ATOM 1835 NH2 ARG A 118 22.080 13.779 -9.204 1.00 0.00 N ATOM 0 H ARG A 118 23.083 17.745 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 118 25.352 15.990 -3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 118 22.913 15.397 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 118 23.418 15.909 -5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 118 25.300 14.185 -5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 118 24.609 13.614 -4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 118 23.826 12.164 -5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 118 22.460 13.103 -5.290 1.00 0.00 H new ATOM 0 HE ARG A 118 23.845 14.329 -7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 118 21.253 12.104 -6.591 1.00 0.00 H new ATOM 0 HH12 ARG A 118 20.441 12.207 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 118 22.795 14.422 -9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 118 21.307 13.509 -9.812 1.00 0.00 H new ATOM 1849 N ILE A 119 25.942 18.379 -5.269 1.00 0.00 N ATOM 1850 CA ILE A 119 26.914 19.028 -6.163 1.00 0.00 C ATOM 1851 C ILE A 119 28.333 18.938 -5.558 1.00 0.00 C ATOM 1852 O ILE A 119 29.217 18.281 -6.116 1.00 0.00 O ATOM 1853 CB ILE A 119 26.518 20.534 -6.429 1.00 0.00 C ATOM 1854 CG1 ILE A 119 25.053 20.639 -6.987 1.00 0.00 C ATOM 1855 CG2 ILE A 119 27.528 21.239 -7.374 1.00 0.00 C ATOM 1856 CD1 ILE A 119 24.804 19.907 -8.304 1.00 0.00 C ATOM 0 H ILE A 119 25.387 19.038 -4.723 1.00 0.00 H new ATOM 0 HA ILE A 119 26.906 18.505 -7.119 1.00 0.00 H new ATOM 0 HB ILE A 119 26.556 21.054 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 119 24.367 20.247 -6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 119 24.808 21.692 -7.123 1.00 0.00 H new ATOM 0 HG21 ILE A 119 27.219 22.272 -7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 119 28.521 21.221 -6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 119 27.554 20.719 -8.331 1.00 0.00 H new ATOM 0 HD11 ILE A 119 23.765 20.041 -8.604 1.00 0.00 H new ATOM 0 HD12 ILE A 119 25.459 20.313 -9.075 1.00 0.00 H new ATOM 0 HD13 ILE A 119 25.011 18.845 -8.174 1.00 0.00 H new ATOM 1868 N ILE A 120 28.523 19.603 -4.406 1.00 0.00 N ATOM 1869 CA ILE A 120 29.802 19.632 -3.675 1.00 0.00 C ATOM 1870 C ILE A 120 29.660 18.795 -2.393 1.00 0.00 C ATOM 1871 O ILE A 120 28.996 19.214 -1.432 1.00 0.00 O ATOM 1872 CB ILE A 120 30.232 21.112 -3.320 1.00 0.00 C ATOM 1873 CG1 ILE A 120 30.434 21.958 -4.624 1.00 0.00 C ATOM 1874 CG2 ILE A 120 31.513 21.133 -2.441 1.00 0.00 C ATOM 1875 CD1 ILE A 120 30.835 23.412 -4.395 1.00 0.00 C ATOM 0 H ILE A 120 27.786 20.141 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 120 30.581 19.211 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 120 29.427 21.564 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 120 31.198 21.478 -5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 120 29.508 21.939 -5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 120 31.782 22.165 -2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 120 31.326 20.595 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 120 32.331 20.654 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 120 30.951 23.913 -5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 120 30.062 23.915 -3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 120 31.779 23.448 -3.851 1.00 0.00 H new ATOM 1887 N ARG A 121 30.268 17.602 -2.402 1.00 0.00 N ATOM 1888 CA ARG A 121 30.281 16.684 -1.251 1.00 0.00 C ATOM 1889 C ARG A 121 31.727 16.257 -0.948 1.00 0.00 C ATOM 1890 O ARG A 121 32.149 15.144 -1.288 1.00 0.00 O ATOM 1891 CB ARG A 121 29.359 15.450 -1.500 1.00 0.00 C ATOM 1892 CG ARG A 121 27.857 15.778 -1.601 1.00 0.00 C ATOM 1893 CD ARG A 121 26.990 14.521 -1.778 1.00 0.00 C ATOM 1894 NE ARG A 121 27.084 13.598 -0.623 1.00 0.00 N ATOM 1895 CZ ARG A 121 27.541 12.335 -0.655 1.00 0.00 C ATOM 1896 NH1 ARG A 121 27.988 11.799 -1.784 1.00 0.00 N ATOM 1897 NH2 ARG A 121 27.559 11.614 0.455 1.00 0.00 N ATOM 0 H ARG A 121 30.769 17.242 -3.214 1.00 0.00 H new ATOM 0 HA ARG A 121 29.883 17.205 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 121 29.673 14.960 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 121 29.507 14.734 -0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 121 27.543 16.308 -0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 121 27.691 16.451 -2.442 1.00 0.00 H new ATOM 0 HD2 ARG A 121 25.951 14.818 -1.918 1.00 0.00 H new ATOM 0 HD3 ARG A 121 27.297 13.997 -2.683 1.00 0.00 H new ATOM 0 HE ARG A 121 26.773 13.955 0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 121 27.988 12.347 -2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 121 28.332 10.839 -1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 121 27.227 12.018 1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 121 27.905 10.655 0.435 1.00 0.00 H new