USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 565 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 21 CYS SG : rot 101:sc= -1.05! USER MOD Set 1.2: A 67 CYS SG : rot 180:sc= 1.1 USER MOD Single : A 7 SER OG : rot 180:sc= 0.231 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.703 K(o=0.7,f=-5.5!) USER MOD Single : A 17 SER OG : rot -21:sc= 1.19 USER MOD Single : A 18 ASN : amide:sc= -0.0308 K(o=-0.031,f=-1.4!) USER MOD Single : A 22 GLN : amide:sc= 1.37 K(o=1.4,f=-7.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.356 USER MOD Single : A 31 THR OG1 : rot -75:sc= 0.726 USER MOD Single : A 32 GLN : amide:sc= 0.369 K(o=0.37,f=-0.54) USER MOD Single : A 34 LYS NZ :NH3+ -142:sc= 0.0208 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 76:sc= 0.136 USER MOD Single : A 43 THR OG1 : rot 74:sc= 0.854 USER MOD Single : A 46 HIS : no HE2:sc= 0.196 K(o=0.2,f=-4.2!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.0085) USER MOD Single : A 59 SER OG : rot 100:sc= 0.694 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0324 USER MOD ----------------------------------------------------------------- ATOM 55 N LEU A 6 5.244 -14.018 -4.741 1.00 0.00 N ATOM 56 CA LEU A 6 5.435 -13.148 -3.586 1.00 0.00 C ATOM 57 C LEU A 6 4.132 -12.955 -2.821 1.00 0.00 C ATOM 58 O LEU A 6 3.047 -13.089 -3.383 1.00 0.00 O ATOM 59 CB LEU A 6 5.999 -11.793 -4.031 1.00 0.00 C ATOM 60 CG LEU A 6 7.339 -11.857 -4.777 1.00 0.00 C ATOM 61 CD1 LEU A 6 7.742 -10.464 -5.241 1.00 0.00 C ATOM 62 CD2 LEU A 6 8.402 -12.450 -3.865 1.00 0.00 C ATOM 0 HA LEU A 6 6.150 -13.626 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.266 -11.306 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.121 -11.161 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 6 7.237 -12.494 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.694 -10.518 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.978 -10.068 -5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.843 -9.808 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.353 -12.495 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.510 -11.825 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.105 -13.455 -3.566 1.00 0.00 H new ATOM 74 N SER A 7 4.249 -12.640 -1.536 1.00 0.00 N ATOM 75 CA SER A 7 3.081 -12.420 -0.691 1.00 0.00 C ATOM 76 C SER A 7 2.413 -11.088 -1.012 1.00 0.00 C ATOM 77 O SER A 7 2.998 -10.233 -1.676 1.00 0.00 O ATOM 78 CB SER A 7 3.475 -12.474 0.771 1.00 0.00 C ATOM 79 OG SER A 7 4.205 -11.344 1.162 1.00 0.00 O ATOM 0 H SER A 7 5.142 -12.531 -1.056 1.00 0.00 H new ATOM 0 HA SER A 7 2.362 -13.214 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.578 -12.556 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.069 -13.370 0.953 1.00 0.00 H new ATOM 0 HG SER A 7 4.438 -11.417 2.111 1.00 0.00 H new ATOM 85 N LEU A 8 1.184 -10.919 -0.535 1.00 0.00 N ATOM 86 CA LEU A 8 0.455 -9.670 -0.724 1.00 0.00 C ATOM 87 C LEU A 8 1.190 -8.500 -0.082 1.00 0.00 C ATOM 88 O LEU A 8 1.313 -7.431 -0.678 1.00 0.00 O ATOM 89 CB LEU A 8 -0.961 -9.791 -0.147 1.00 0.00 C ATOM 90 CG LEU A 8 -1.789 -8.500 -0.172 1.00 0.00 C ATOM 91 CD1 LEU A 8 -1.870 -7.958 -1.592 1.00 0.00 C ATOM 92 CD2 LEU A 8 -3.179 -8.775 0.382 1.00 0.00 C ATOM 0 H LEU A 8 0.672 -11.631 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 8 0.387 -9.477 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.498 -10.559 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.888 -10.137 0.884 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.307 -7.748 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.460 -7.041 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.866 -7.746 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.343 -8.698 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.766 -7.857 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.671 -9.532 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.097 -9.133 1.408 1.00 0.00 H new ATOM 104 N THR A 9 1.681 -8.712 1.135 1.00 0.00 N ATOM 105 CA THR A 9 2.451 -7.693 1.839 1.00 0.00 C ATOM 106 C THR A 9 3.694 -7.301 1.050 1.00 0.00 C ATOM 107 O THR A 9 3.996 -6.118 0.900 1.00 0.00 O ATOM 108 CB THR A 9 2.873 -8.171 3.240 1.00 0.00 C ATOM 109 OG1 THR A 9 1.705 -8.430 4.030 1.00 0.00 O ATOM 110 CG2 THR A 9 3.724 -7.117 3.929 1.00 0.00 C ATOM 0 H THR A 9 1.559 -9.581 1.654 1.00 0.00 H new ATOM 0 HA THR A 9 1.801 -6.824 1.944 1.00 0.00 H new ATOM 0 HB THR A 9 3.459 -9.084 3.136 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.974 -8.736 4.921 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.013 -7.472 4.918 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.619 -6.927 3.336 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.152 -6.195 4.028 1.00 0.00 H new ATOM 118 N GLN A 10 4.411 -8.302 0.550 1.00 0.00 N ATOM 119 CA GLN A 10 5.633 -8.062 -0.208 1.00 0.00 C ATOM 120 C GLN A 10 5.351 -7.259 -1.471 1.00 0.00 C ATOM 121 O GLN A 10 6.082 -6.324 -1.800 1.00 0.00 O ATOM 122 CB GLN A 10 6.302 -9.390 -0.578 1.00 0.00 C ATOM 123 CG GLN A 10 7.019 -10.069 0.576 1.00 0.00 C ATOM 124 CD GLN A 10 7.435 -11.489 0.245 1.00 0.00 C ATOM 125 OE1 GLN A 10 6.959 -12.078 -0.731 1.00 0.00 O ATOM 126 NE2 GLN A 10 8.323 -12.050 1.056 1.00 0.00 N ATOM 0 H GLN A 10 4.167 -9.287 0.656 1.00 0.00 H new ATOM 0 HA GLN A 10 6.307 -7.483 0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.544 -10.069 -0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.017 -9.212 -1.381 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.902 -9.488 0.844 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.367 -10.079 1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.690 -11.526 1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.639 -13.005 0.885 1.00 0.00 H new ATOM 135 N LEU A 11 4.288 -7.628 -2.176 1.00 0.00 N ATOM 136 CA LEU A 11 3.917 -6.954 -3.415 1.00 0.00 C ATOM 137 C LEU A 11 3.537 -5.502 -3.159 1.00 0.00 C ATOM 138 O LEU A 11 3.890 -4.612 -3.931 1.00 0.00 O ATOM 139 CB LEU A 11 2.763 -7.696 -4.097 1.00 0.00 C ATOM 140 CG LEU A 11 3.129 -9.058 -4.704 1.00 0.00 C ATOM 141 CD1 LEU A 11 1.870 -9.772 -5.182 1.00 0.00 C ATOM 142 CD2 LEU A 11 4.103 -8.856 -5.854 1.00 0.00 C ATOM 0 H LEU A 11 3.666 -8.392 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 11 4.783 -6.962 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.966 -7.843 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.360 -7.061 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 11 3.606 -9.678 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.140 -10.737 -5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.196 -9.925 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.372 -9.165 -5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.363 -9.823 -6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.640 -8.231 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.006 -8.369 -5.485 1.00 0.00 H new ATOM 154 N ILE A 12 2.813 -5.269 -2.067 1.00 0.00 N ATOM 155 CA ILE A 12 2.447 -3.916 -1.668 1.00 0.00 C ATOM 156 C ILE A 12 3.682 -3.069 -1.394 1.00 0.00 C ATOM 157 O ILE A 12 3.774 -1.925 -1.842 1.00 0.00 O ATOM 158 CB ILE A 12 1.552 -3.921 -0.415 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.175 -4.504 -0.744 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.417 -2.514 0.148 1.00 0.00 C ATOM 161 CD1 ILE A 12 -0.655 -4.838 0.475 1.00 0.00 C ATOM 0 H ILE A 12 2.469 -6.000 -1.444 1.00 0.00 H new ATOM 0 HA ILE A 12 1.891 -3.483 -2.499 1.00 0.00 H new ATOM 0 HB ILE A 12 2.020 -4.550 0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.373 -3.791 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.306 -5.407 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.781 -2.536 1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.402 -2.134 0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.971 -1.863 -0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.616 -5.246 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.129 -5.575 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.819 -3.934 1.062 1.00 0.00 H new ATOM 173 N LEU A 13 4.630 -3.634 -0.656 1.00 0.00 N ATOM 174 CA LEU A 13 5.852 -2.922 -0.298 1.00 0.00 C ATOM 175 C LEU A 13 6.680 -2.595 -1.535 1.00 0.00 C ATOM 176 O LEU A 13 7.276 -1.522 -1.628 1.00 0.00 O ATOM 177 CB LEU A 13 6.678 -3.749 0.693 1.00 0.00 C ATOM 178 CG LEU A 13 6.044 -3.930 2.079 1.00 0.00 C ATOM 179 CD1 LEU A 13 6.865 -4.911 2.905 1.00 0.00 C ATOM 180 CD2 LEU A 13 5.955 -2.581 2.777 1.00 0.00 C ATOM 0 H LEU A 13 4.576 -4.586 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 13 5.569 -1.982 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.856 -4.734 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.652 -3.274 0.815 1.00 0.00 H new ATOM 0 HG LEU A 13 5.038 -4.335 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.407 -5.033 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.898 -5.875 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.879 -4.528 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.505 -2.710 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.955 -2.162 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.341 -1.904 2.183 1.00 0.00 H new ATOM 192 N ILE A 14 6.712 -3.526 -2.482 1.00 0.00 N ATOM 193 CA ILE A 14 7.471 -3.341 -3.713 1.00 0.00 C ATOM 194 C ILE A 14 6.909 -2.190 -4.538 1.00 0.00 C ATOM 195 O ILE A 14 7.652 -1.327 -5.007 1.00 0.00 O ATOM 196 CB ILE A 14 7.479 -4.619 -4.571 1.00 0.00 C ATOM 197 CG1 ILE A 14 8.310 -5.711 -3.893 1.00 0.00 C ATOM 198 CG2 ILE A 14 8.017 -4.323 -5.962 1.00 0.00 C ATOM 199 CD1 ILE A 14 8.128 -7.083 -4.501 1.00 0.00 C ATOM 0 H ILE A 14 6.220 -4.418 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 14 8.494 -3.108 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 14 6.454 -4.977 -4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 14 9.364 -5.438 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.044 -5.754 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 14 8.016 -5.238 -6.555 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.386 -3.577 -6.445 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.035 -3.942 -5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.749 -7.803 -3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.082 -7.379 -4.425 1.00 0.00 H new ATOM 0 HD13 ILE A 14 8.422 -7.058 -5.550 1.00 0.00 H new ATOM 211 N ARG A 15 5.592 -2.183 -4.713 1.00 0.00 N ATOM 212 CA ARG A 15 4.930 -1.158 -5.512 1.00 0.00 C ATOM 213 C ARG A 15 5.063 0.216 -4.865 1.00 0.00 C ATOM 214 O ARG A 15 5.270 1.217 -5.550 1.00 0.00 O ATOM 215 CB ARG A 15 3.475 -1.501 -5.796 1.00 0.00 C ATOM 216 CG ARG A 15 2.715 -0.453 -6.593 1.00 0.00 C ATOM 217 CD ARG A 15 3.255 -0.208 -7.954 1.00 0.00 C ATOM 218 NE ARG A 15 2.587 0.858 -8.684 1.00 0.00 N ATOM 219 CZ ARG A 15 2.948 1.291 -9.908 1.00 0.00 C ATOM 220 NH1 ARG A 15 3.990 0.778 -10.527 1.00 0.00 N ATOM 221 NH2 ARG A 15 2.241 2.259 -10.461 1.00 0.00 N ATOM 0 H ARG A 15 4.961 -2.877 -4.312 1.00 0.00 H new ATOM 0 HA ARG A 15 5.439 -1.125 -6.475 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.439 -2.446 -6.338 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.962 -1.658 -4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.674 -0.764 -6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.723 0.485 -6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.315 0.033 -7.873 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.181 -1.129 -8.532 1.00 0.00 H new ATOM 0 HE ARG A 15 1.789 1.310 -8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.537 0.042 -10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.251 1.116 -11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.446 2.658 -9.963 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.490 2.608 -11.387 1.00 0.00 H new ATOM 235 N LEU A 16 4.942 0.255 -3.543 1.00 0.00 N ATOM 236 CA LEU A 16 5.006 1.511 -2.804 1.00 0.00 C ATOM 237 C LEU A 16 6.442 2.001 -2.675 1.00 0.00 C ATOM 238 O LEU A 16 6.684 3.176 -2.399 1.00 0.00 O ATOM 239 CB LEU A 16 4.371 1.344 -1.419 1.00 0.00 C ATOM 240 CG LEU A 16 2.853 1.124 -1.417 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.362 0.880 0.003 1.00 0.00 C ATOM 242 CD2 LEU A 16 2.163 2.335 -2.025 1.00 0.00 C ATOM 0 H LEU A 16 4.799 -0.570 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 16 4.445 2.261 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.845 0.499 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.594 2.231 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 16 2.613 0.246 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.283 0.725 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.852 -0.004 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.599 1.744 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.084 2.178 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.402 3.222 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.508 2.474 -3.050 1.00 0.00 H new ATOM 254 N SER A 17 7.392 1.095 -2.874 1.00 0.00 N ATOM 255 CA SER A 17 8.804 1.453 -2.878 1.00 0.00 C ATOM 256 C SER A 17 9.270 1.846 -4.274 1.00 0.00 C ATOM 257 O SER A 17 10.282 2.529 -4.434 1.00 0.00 O ATOM 258 CB SER A 17 9.637 0.302 -2.349 1.00 0.00 C ATOM 259 OG SER A 17 9.633 -0.796 -3.220 1.00 0.00 O ATOM 0 H SER A 17 7.209 0.105 -3.035 1.00 0.00 H new ATOM 0 HA SER A 17 8.936 2.316 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.662 0.638 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.253 -0.006 -1.377 1.00 0.00 H new ATOM 0 HG SER A 17 8.852 -0.743 -3.809 1.00 0.00 H new ATOM 265 N ASN A 18 8.525 1.410 -5.285 1.00 0.00 N ATOM 266 CA ASN A 18 8.834 1.752 -6.668 1.00 0.00 C ATOM 267 C ASN A 18 8.198 3.079 -7.062 1.00 0.00 C ATOM 268 O ASN A 18 8.518 3.645 -8.107 1.00 0.00 O ATOM 269 CB ASN A 18 8.396 0.656 -7.623 1.00 0.00 C ATOM 270 CG ASN A 18 9.264 -0.571 -7.572 1.00 0.00 C ATOM 271 OD1 ASN A 18 10.428 -0.517 -7.162 1.00 0.00 O ATOM 272 ND2 ASN A 18 8.729 -1.660 -8.065 1.00 0.00 N ATOM 0 H ASN A 18 7.702 0.818 -5.172 1.00 0.00 H new ATOM 0 HA ASN A 18 9.917 1.853 -6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.369 0.374 -7.392 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.397 1.050 -8.639 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.279 -2.517 -8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.762 -1.651 -8.390 1.00 0.00 H new ATOM 279 N ARG A 19 7.296 3.570 -6.221 1.00 0.00 N ATOM 280 CA ARG A 19 6.640 4.851 -6.460 1.00 0.00 C ATOM 281 C ARG A 19 6.595 5.692 -5.191 1.00 0.00 C ATOM 282 O ARG A 19 7.004 5.242 -4.122 1.00 0.00 O ATOM 283 CB ARG A 19 5.255 4.682 -7.066 1.00 0.00 C ATOM 284 CG ARG A 19 5.233 4.030 -8.440 1.00 0.00 C ATOM 285 CD ARG A 19 5.788 4.875 -9.529 1.00 0.00 C ATOM 286 NE ARG A 19 5.661 4.303 -10.859 1.00 0.00 N ATOM 287 CZ ARG A 19 6.570 3.495 -11.435 1.00 0.00 C ATOM 288 NH1 ARG A 19 7.693 3.191 -10.821 1.00 0.00 N ATOM 289 NH2 ARG A 19 6.318 3.034 -12.649 1.00 0.00 N ATOM 0 H ARG A 19 7.001 3.100 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 19 7.241 5.387 -7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.647 4.084 -6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.783 5.662 -7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.797 3.099 -8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.204 3.768 -8.688 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.285 5.842 -9.514 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.843 5.061 -9.326 1.00 0.00 H new ATOM 0 HE ARG A 19 4.823 4.530 -11.394 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.886 3.569 -9.894 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.371 2.577 -11.272 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.453 3.293 -13.123 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.989 2.420 -13.111 1.00 0.00 H new ATOM 303 N GLY A 20 6.097 6.918 -5.317 1.00 0.00 N ATOM 304 CA GLY A 20 5.966 7.814 -4.174 1.00 0.00 C ATOM 305 C GLY A 20 4.741 7.464 -3.340 1.00 0.00 C ATOM 306 O GLY A 20 4.804 7.435 -2.110 1.00 0.00 O ATOM 0 H GLY A 20 5.777 7.314 -6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.861 7.752 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.890 8.844 -4.522 1.00 0.00 H new ATOM 310 N CYS A 21 3.627 7.198 -4.013 1.00 0.00 N ATOM 311 CA CYS A 21 2.360 6.956 -3.335 1.00 0.00 C ATOM 312 C CYS A 21 1.337 6.337 -4.279 1.00 0.00 C ATOM 313 O CYS A 21 1.177 6.785 -5.415 1.00 0.00 O ATOM 314 CB CYS A 21 1.927 8.361 -2.918 1.00 0.00 C ATOM 315 SG CYS A 21 0.397 8.419 -1.953 1.00 0.00 S ATOM 0 H CYS A 21 3.576 7.145 -5.030 1.00 0.00 H new ATOM 0 HA CYS A 21 2.448 6.259 -2.502 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.727 8.816 -2.334 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.800 8.969 -3.814 1.00 0.00 H new ATOM 0 HG CYS A 21 0.684 8.558 -0.693 1.00 0.00 H new ATOM 321 N GLN A 22 0.647 5.307 -3.803 1.00 0.00 N ATOM 322 CA GLN A 22 -0.357 4.621 -4.607 1.00 0.00 C ATOM 323 C GLN A 22 -1.668 4.474 -3.845 1.00 0.00 C ATOM 324 O GLN A 22 -1.696 4.562 -2.619 1.00 0.00 O ATOM 325 CB GLN A 22 0.151 3.240 -5.033 1.00 0.00 C ATOM 326 CG GLN A 22 1.271 3.277 -6.057 1.00 0.00 C ATOM 327 CD GLN A 22 0.785 3.696 -7.433 1.00 0.00 C ATOM 328 OE1 GLN A 22 0.553 2.856 -8.307 1.00 0.00 O ATOM 329 NE2 GLN A 22 0.630 5.000 -7.632 1.00 0.00 N ATOM 0 H GLN A 22 0.765 4.928 -2.863 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.540 5.226 -5.495 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.499 2.705 -4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.682 2.669 -5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.043 3.969 -5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.732 2.292 -6.122 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.834 5.658 -6.880 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.307 5.343 -8.537 1.00 0.00 H new ATOM 338 N THR A 23 -2.753 4.253 -4.580 1.00 0.00 N ATOM 339 CA THR A 23 -4.074 4.129 -3.979 1.00 0.00 C ATOM 340 C THR A 23 -4.432 2.669 -3.732 1.00 0.00 C ATOM 341 O THR A 23 -3.713 1.764 -4.152 1.00 0.00 O ATOM 342 CB THR A 23 -5.159 4.772 -4.861 1.00 0.00 C ATOM 343 OG1 THR A 23 -5.302 4.019 -6.073 1.00 0.00 O ATOM 344 CG2 THR A 23 -4.788 6.207 -5.202 1.00 0.00 C ATOM 0 H THR A 23 -2.742 4.156 -5.595 1.00 0.00 H new ATOM 0 HA THR A 23 -4.036 4.656 -3.026 1.00 0.00 H new ATOM 0 HB THR A 23 -6.100 4.771 -4.311 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.994 4.429 -6.633 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.567 6.646 -5.826 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.690 6.786 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.841 6.220 -5.741 1.00 0.00 H new ATOM 352 N LEU A 24 -5.550 2.448 -3.048 1.00 0.00 N ATOM 353 CA LEU A 24 -6.093 1.104 -2.881 1.00 0.00 C ATOM 354 C LEU A 24 -6.335 0.437 -4.228 1.00 0.00 C ATOM 355 O LEU A 24 -6.023 -0.739 -4.414 1.00 0.00 O ATOM 356 CB LEU A 24 -7.394 1.155 -2.070 1.00 0.00 C ATOM 357 CG LEU A 24 -8.064 -0.203 -1.823 1.00 0.00 C ATOM 358 CD1 LEU A 24 -7.160 -1.084 -0.972 1.00 0.00 C ATOM 359 CD2 LEU A 24 -9.408 0.010 -1.145 1.00 0.00 C ATOM 0 H LEU A 24 -6.098 3.182 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.360 0.508 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.185 1.619 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.101 1.802 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.229 -0.707 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.644 -2.046 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.213 -1.241 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.974 -0.597 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.884 -0.955 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.259 0.519 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.046 0.618 -1.786 1.00 0.00 H new ATOM 371 N GLU A 25 -6.892 1.193 -5.166 1.00 0.00 N ATOM 372 CA GLU A 25 -7.256 0.654 -6.471 1.00 0.00 C ATOM 373 C GLU A 25 -6.019 0.345 -7.304 1.00 0.00 C ATOM 374 O GLU A 25 -5.975 -0.657 -8.019 1.00 0.00 O ATOM 375 CB GLU A 25 -8.164 1.631 -7.221 1.00 0.00 C ATOM 376 CG GLU A 25 -9.558 1.776 -6.629 1.00 0.00 C ATOM 377 CD GLU A 25 -10.358 2.818 -7.361 1.00 0.00 C ATOM 378 OE1 GLU A 25 -9.819 3.442 -8.243 1.00 0.00 O ATOM 379 OE2 GLU A 25 -11.537 2.915 -7.115 1.00 0.00 O ATOM 0 H GLU A 25 -7.102 2.184 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.798 -0.277 -6.307 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.687 2.611 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.255 1.302 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.076 0.818 -6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.482 2.047 -5.576 1.00 0.00 H new ATOM 386 N GLU A 26 -5.015 1.209 -7.206 1.00 0.00 N ATOM 387 CA GLU A 26 -3.751 0.995 -7.900 1.00 0.00 C ATOM 388 C GLU A 26 -3.018 -0.221 -7.350 1.00 0.00 C ATOM 389 O GLU A 26 -2.419 -0.989 -8.102 1.00 0.00 O ATOM 390 CB GLU A 26 -2.863 2.238 -7.790 1.00 0.00 C ATOM 391 CG GLU A 26 -3.329 3.420 -8.629 1.00 0.00 C ATOM 392 CD GLU A 26 -2.476 4.633 -8.385 1.00 0.00 C ATOM 393 OE1 GLU A 26 -2.363 5.040 -7.254 1.00 0.00 O ATOM 394 OE2 GLU A 26 -1.847 5.087 -9.312 1.00 0.00 O ATOM 0 H GLU A 26 -5.052 2.065 -6.652 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.975 0.810 -8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.817 2.545 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.849 1.973 -8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.294 3.155 -9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.368 3.650 -8.392 1.00 0.00 H new ATOM 401 N LEU A 27 -3.070 -0.391 -6.033 1.00 0.00 N ATOM 402 CA LEU A 27 -2.466 -1.549 -5.385 1.00 0.00 C ATOM 403 C LEU A 27 -3.257 -2.817 -5.675 1.00 0.00 C ATOM 404 O LEU A 27 -2.700 -3.914 -5.710 1.00 0.00 O ATOM 405 CB LEU A 27 -2.363 -1.318 -3.872 1.00 0.00 C ATOM 406 CG LEU A 27 -1.360 -0.240 -3.443 1.00 0.00 C ATOM 407 CD1 LEU A 27 -1.484 0.025 -1.949 1.00 0.00 C ATOM 408 CD2 LEU A 27 0.050 -0.686 -3.798 1.00 0.00 C ATOM 0 H LEU A 27 -3.525 0.260 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.463 -1.679 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.349 -1.046 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.087 -2.259 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.576 0.688 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.767 0.792 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.494 0.366 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.279 -0.893 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.762 0.081 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.277 -1.619 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.123 -0.840 -4.875 1.00 0.00 H new ATOM 420 N GLU A 28 -4.561 -2.661 -5.882 1.00 0.00 N ATOM 421 CA GLU A 28 -5.408 -3.770 -6.301 1.00 0.00 C ATOM 422 C GLU A 28 -5.025 -4.262 -7.691 1.00 0.00 C ATOM 423 O GLU A 28 -4.905 -5.465 -7.922 1.00 0.00 O ATOM 424 CB GLU A 28 -6.882 -3.357 -6.277 1.00 0.00 C ATOM 425 CG GLU A 28 -7.852 -4.468 -6.655 1.00 0.00 C ATOM 426 CD GLU A 28 -9.266 -3.959 -6.722 1.00 0.00 C ATOM 427 OE1 GLU A 28 -9.463 -2.784 -6.526 1.00 0.00 O ATOM 428 OE2 GLU A 28 -10.133 -4.721 -7.077 1.00 0.00 O ATOM 0 H GLU A 28 -5.054 -1.775 -5.766 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.258 -4.588 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.130 -2.999 -5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.023 -2.520 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.568 -4.889 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.788 -5.274 -5.924 1.00 0.00 H new ATOM 435 N GLU A 29 -4.834 -3.325 -8.613 1.00 0.00 N ATOM 436 CA GLU A 29 -4.508 -3.664 -9.993 1.00 0.00 C ATOM 437 C GLU A 29 -3.093 -4.216 -10.105 1.00 0.00 C ATOM 438 O GLU A 29 -2.751 -4.881 -11.083 1.00 0.00 O ATOM 439 CB GLU A 29 -4.666 -2.437 -10.897 1.00 0.00 C ATOM 440 CG GLU A 29 -6.107 -1.997 -11.113 1.00 0.00 C ATOM 441 CD GLU A 29 -6.175 -0.731 -11.918 1.00 0.00 C ATOM 442 OE1 GLU A 29 -5.141 -0.210 -12.261 1.00 0.00 O ATOM 443 OE2 GLU A 29 -7.259 -0.344 -12.290 1.00 0.00 O ATOM 0 H GLU A 29 -4.899 -2.324 -8.429 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.203 -4.438 -10.319 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.107 -1.608 -10.464 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.216 -2.654 -11.866 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.658 -2.786 -11.625 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.591 -1.844 -10.149 1.00 0.00 H new ATOM 450 N PHE A 30 -2.273 -3.936 -9.097 1.00 0.00 N ATOM 451 CA PHE A 30 -0.910 -4.456 -9.051 1.00 0.00 C ATOM 452 C PHE A 30 -0.882 -5.878 -8.503 1.00 0.00 C ATOM 453 O PHE A 30 -0.419 -6.802 -9.172 1.00 0.00 O ATOM 454 CB PHE A 30 -0.021 -3.547 -8.202 1.00 0.00 C ATOM 455 CG PHE A 30 1.413 -3.991 -8.138 1.00 0.00 C ATOM 456 CD1 PHE A 30 2.293 -3.694 -9.169 1.00 0.00 C ATOM 457 CD2 PHE A 30 1.885 -4.707 -7.049 1.00 0.00 C ATOM 458 CE1 PHE A 30 3.612 -4.103 -9.111 1.00 0.00 C ATOM 459 CE2 PHE A 30 3.203 -5.114 -6.988 1.00 0.00 C ATOM 460 CZ PHE A 30 4.067 -4.812 -8.021 1.00 0.00 C ATOM 0 H PHE A 30 -2.528 -3.352 -8.301 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.525 -4.477 -10.070 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.061 -2.535 -8.606 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.424 -3.503 -7.190 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.944 -3.137 -10.026 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.214 -4.949 -6.238 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.286 -3.867 -9.921 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.558 -5.669 -6.132 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.098 -5.131 -7.975 1.00 0.00 H new ATOM 470 N THR A 31 -1.378 -6.046 -7.282 1.00 0.00 N ATOM 471 CA THR A 31 -1.218 -7.300 -6.557 1.00 0.00 C ATOM 472 C THR A 31 -2.133 -8.381 -7.117 1.00 0.00 C ATOM 473 O THR A 31 -1.880 -9.574 -6.943 1.00 0.00 O ATOM 474 CB THR A 31 -1.507 -7.125 -5.055 1.00 0.00 C ATOM 475 OG1 THR A 31 -2.887 -6.781 -4.867 1.00 0.00 O ATOM 476 CG2 THR A 31 -0.632 -6.029 -4.467 1.00 0.00 C ATOM 0 H THR A 31 -1.895 -5.328 -6.774 1.00 0.00 H new ATOM 0 HA THR A 31 -0.180 -7.606 -6.685 1.00 0.00 H new ATOM 0 HB THR A 31 -1.287 -8.064 -4.547 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.027 -5.844 -5.116 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.850 -5.920 -3.405 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.418 -6.293 -4.596 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.835 -5.088 -4.978 1.00 0.00 H new ATOM 484 N GLN A 32 -3.200 -7.958 -7.788 1.00 0.00 N ATOM 485 CA GLN A 32 -4.221 -8.883 -8.265 1.00 0.00 C ATOM 486 C GLN A 32 -5.032 -9.452 -7.107 1.00 0.00 C ATOM 487 O GLN A 32 -5.807 -10.392 -7.282 1.00 0.00 O ATOM 488 CB GLN A 32 -3.583 -10.025 -9.058 1.00 0.00 C ATOM 489 CG GLN A 32 -2.539 -9.576 -10.065 1.00 0.00 C ATOM 490 CD GLN A 32 -3.080 -8.552 -11.043 1.00 0.00 C ATOM 491 OE1 GLN A 32 -4.109 -8.772 -11.688 1.00 0.00 O ATOM 492 NE2 GLN A 32 -2.388 -7.424 -11.163 1.00 0.00 N ATOM 0 H GLN A 32 -3.380 -6.980 -8.014 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.893 -8.326 -8.918 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.122 -10.724 -8.360 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.367 -10.570 -9.583 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.686 -9.152 -9.535 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.174 -10.443 -10.616 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.542 -7.283 -10.610 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.702 -6.699 -11.808 1.00 0.00 H new ATOM 501 N ALA A 33 -4.849 -8.875 -5.923 1.00 0.00 N ATOM 502 CA ALA A 33 -5.521 -9.359 -4.725 1.00 0.00 C ATOM 503 C ALA A 33 -6.929 -8.787 -4.611 1.00 0.00 C ATOM 504 O ALA A 33 -7.204 -7.692 -5.101 1.00 0.00 O ATOM 505 CB ALA A 33 -4.706 -9.017 -3.485 1.00 0.00 C ATOM 0 H ALA A 33 -4.240 -8.071 -5.769 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.606 -10.443 -4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.221 -9.385 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.724 -9.485 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.589 -7.936 -3.414 1.00 0.00 H new ATOM 511 N LYS A 34 -7.817 -9.535 -3.965 1.00 0.00 N ATOM 512 CA LYS A 34 -9.171 -9.062 -3.705 1.00 0.00 C ATOM 513 C LYS A 34 -9.163 -7.817 -2.828 1.00 0.00 C ATOM 514 O LYS A 34 -8.463 -7.765 -1.816 1.00 0.00 O ATOM 515 CB LYS A 34 -10.005 -10.163 -3.048 1.00 0.00 C ATOM 516 CG LYS A 34 -11.480 -9.822 -2.885 1.00 0.00 C ATOM 517 CD LYS A 34 -12.263 -11.001 -2.327 1.00 0.00 C ATOM 518 CE LYS A 34 -13.747 -10.684 -2.227 1.00 0.00 C ATOM 519 NZ LYS A 34 -14.522 -11.820 -1.656 1.00 0.00 N ATOM 0 H LYS A 34 -7.623 -10.472 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.621 -8.799 -4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.918 -11.072 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.585 -10.384 -2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.586 -8.965 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.896 -9.530 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.118 -11.872 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.878 -11.262 -1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.888 -9.800 -1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.134 -10.442 -3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.438 -11.895 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.989 -12.703 -1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.682 -11.656 -0.641 1.00 0.00 H new ATOM 533 N ARG A 35 -9.942 -6.816 -3.221 1.00 0.00 N ATOM 534 CA ARG A 35 -9.976 -5.545 -2.509 1.00 0.00 C ATOM 535 C ARG A 35 -10.246 -5.753 -1.024 1.00 0.00 C ATOM 536 O ARG A 35 -9.669 -5.071 -0.176 1.00 0.00 O ATOM 537 CB ARG A 35 -10.966 -4.568 -3.123 1.00 0.00 C ATOM 538 CG ARG A 35 -10.951 -3.174 -2.516 1.00 0.00 C ATOM 539 CD ARG A 35 -11.810 -2.189 -3.222 1.00 0.00 C ATOM 540 NE ARG A 35 -11.495 -2.014 -4.631 1.00 0.00 N ATOM 541 CZ ARG A 35 -12.302 -1.414 -5.527 1.00 0.00 C ATOM 542 NH1 ARG A 35 -13.486 -0.964 -5.177 1.00 0.00 N ATOM 543 NH2 ARG A 35 -11.881 -1.311 -6.775 1.00 0.00 N ATOM 0 H ARG A 35 -10.560 -6.861 -4.031 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.988 -5.096 -2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.759 -4.486 -4.190 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.970 -4.981 -3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.273 -3.240 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.925 -2.805 -2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.850 -2.502 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.723 -1.225 -2.721 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.599 -2.371 -4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.806 -1.067 -4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.085 -0.512 -5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.967 -1.681 -7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.470 -0.862 -7.476 1.00 0.00 H new ATOM 557 N GLU A 36 -11.127 -6.698 -0.716 1.00 0.00 N ATOM 558 CA GLU A 36 -11.502 -6.975 0.665 1.00 0.00 C ATOM 559 C GLU A 36 -10.273 -7.235 1.529 1.00 0.00 C ATOM 560 O GLU A 36 -10.117 -6.645 2.598 1.00 0.00 O ATOM 561 CB GLU A 36 -12.455 -8.170 0.734 1.00 0.00 C ATOM 562 CG GLU A 36 -12.912 -8.531 2.140 1.00 0.00 C ATOM 563 CD GLU A 36 -13.873 -9.687 2.123 1.00 0.00 C ATOM 564 OE1 GLU A 36 -14.185 -10.159 1.057 1.00 0.00 O ATOM 565 OE2 GLU A 36 -14.208 -10.170 3.178 1.00 0.00 O ATOM 0 H GLU A 36 -11.595 -7.286 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.012 -6.093 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.332 -7.955 0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.964 -9.037 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.046 -8.784 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.388 -7.667 2.603 1.00 0.00 H new ATOM 572 N VAL A 37 -9.402 -8.121 1.057 1.00 0.00 N ATOM 573 CA VAL A 37 -8.250 -8.553 1.838 1.00 0.00 C ATOM 574 C VAL A 37 -7.066 -7.617 1.636 1.00 0.00 C ATOM 575 O VAL A 37 -6.162 -7.553 2.468 1.00 0.00 O ATOM 576 CB VAL A 37 -7.826 -9.988 1.475 1.00 0.00 C ATOM 577 CG1 VAL A 37 -8.989 -10.950 1.664 1.00 0.00 C ATOM 578 CG2 VAL A 37 -7.314 -10.046 0.044 1.00 0.00 C ATOM 0 H VAL A 37 -9.473 -8.554 0.136 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.554 -8.529 2.885 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.018 -10.288 2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.672 -11.960 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.313 -10.929 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.816 -10.652 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.019 -11.068 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.102 -9.727 -0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.453 -9.385 -0.062 1.00 0.00 H new ATOM 588 N LEU A 38 -7.075 -6.890 0.522 1.00 0.00 N ATOM 589 CA LEU A 38 -6.057 -5.883 0.256 1.00 0.00 C ATOM 590 C LEU A 38 -6.119 -4.752 1.275 1.00 0.00 C ATOM 591 O LEU A 38 -5.103 -4.364 1.849 1.00 0.00 O ATOM 592 CB LEU A 38 -6.217 -5.331 -1.166 1.00 0.00 C ATOM 593 CG LEU A 38 -5.283 -4.167 -1.523 1.00 0.00 C ATOM 594 CD1 LEU A 38 -3.833 -4.627 -1.473 1.00 0.00 C ATOM 595 CD2 LEU A 38 -5.633 -3.640 -2.906 1.00 0.00 C ATOM 0 H LEU A 38 -7.778 -6.981 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.080 -6.358 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.048 -6.142 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.248 -5.002 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.411 -3.363 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.178 -3.794 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.598 -4.980 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.684 -5.437 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.969 -2.813 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.515 -4.437 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.666 -3.291 -2.912 1.00 0.00 H new ATOM 607 N LEU A 39 -7.320 -4.227 1.494 1.00 0.00 N ATOM 608 CA LEU A 39 -7.514 -3.121 2.424 1.00 0.00 C ATOM 609 C LEU A 39 -7.177 -3.536 3.851 1.00 0.00 C ATOM 610 O LEU A 39 -6.650 -2.741 4.630 1.00 0.00 O ATOM 611 CB LEU A 39 -8.958 -2.608 2.345 1.00 0.00 C ATOM 612 CG LEU A 39 -9.262 -1.378 3.210 1.00 0.00 C ATOM 613 CD1 LEU A 39 -8.356 -0.222 2.809 1.00 0.00 C ATOM 614 CD2 LEU A 39 -10.725 -0.997 3.054 1.00 0.00 C ATOM 0 H LEU A 39 -8.174 -4.550 1.040 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.836 -2.316 2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.185 -2.367 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.630 -3.414 2.639 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.071 -1.612 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.579 0.647 3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.314 -0.510 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.525 0.026 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.941 -0.123 3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.931 -0.766 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.354 -1.829 3.372 1.00 0.00 H new ATOM 626 N VAL A 40 -7.483 -4.783 4.188 1.00 0.00 N ATOM 627 CA VAL A 40 -7.165 -5.323 5.505 1.00 0.00 C ATOM 628 C VAL A 40 -5.660 -5.363 5.734 1.00 0.00 C ATOM 629 O VAL A 40 -5.173 -4.974 6.796 1.00 0.00 O ATOM 630 CB VAL A 40 -7.741 -6.740 5.689 1.00 0.00 C ATOM 631 CG1 VAL A 40 -7.205 -7.369 6.967 1.00 0.00 C ATOM 632 CG2 VAL A 40 -9.260 -6.698 5.715 1.00 0.00 C ATOM 0 H VAL A 40 -7.952 -5.441 3.566 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.623 -4.658 6.237 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.428 -7.352 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.621 -8.370 7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.118 -7.432 6.913 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.491 -6.756 7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.650 -7.708 5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.593 -6.071 6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.629 -6.285 4.776 1.00 0.00 H new ATOM 642 N THR A 41 -4.926 -5.835 4.732 1.00 0.00 N ATOM 643 CA THR A 41 -3.471 -5.891 4.808 1.00 0.00 C ATOM 644 C THR A 41 -2.871 -4.496 4.937 1.00 0.00 C ATOM 645 O THR A 41 -1.937 -4.280 5.708 1.00 0.00 O ATOM 646 CB THR A 41 -2.867 -6.586 3.573 1.00 0.00 C ATOM 647 OG1 THR A 41 -3.322 -7.944 3.516 1.00 0.00 O ATOM 648 CG2 THR A 41 -1.347 -6.567 3.641 1.00 0.00 C ATOM 0 H THR A 41 -5.316 -6.185 3.857 1.00 0.00 H new ATOM 0 HA THR A 41 -3.226 -6.472 5.697 1.00 0.00 H new ATOM 0 HB THR A 41 -3.188 -6.050 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.251 -7.965 3.204 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.937 -7.062 2.761 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.997 -5.535 3.673 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.016 -7.090 4.538 1.00 0.00 H new ATOM 656 N LEU A 42 -3.415 -3.552 4.176 1.00 0.00 N ATOM 657 CA LEU A 42 -2.956 -2.169 4.228 1.00 0.00 C ATOM 658 C LEU A 42 -3.237 -1.545 5.588 1.00 0.00 C ATOM 659 O LEU A 42 -2.430 -0.774 6.107 1.00 0.00 O ATOM 660 CB LEU A 42 -3.623 -1.349 3.115 1.00 0.00 C ATOM 661 CG LEU A 42 -3.185 -1.706 1.690 1.00 0.00 C ATOM 662 CD1 LEU A 42 -4.059 -0.976 0.678 1.00 0.00 C ATOM 663 CD2 LEU A 42 -1.720 -1.338 1.500 1.00 0.00 C ATOM 0 H LEU A 42 -4.174 -3.720 3.516 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.877 -2.164 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.703 -1.477 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.414 -0.293 3.288 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.301 -2.778 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.741 -1.235 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.099 -1.269 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.963 0.100 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.409 -1.592 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.590 -0.268 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.110 -1.890 2.215 1.00 0.00 H new ATOM 675 N THR A 43 -4.387 -1.883 6.162 1.00 0.00 N ATOM 676 CA THR A 43 -4.743 -1.419 7.498 1.00 0.00 C ATOM 677 C THR A 43 -3.794 -1.985 8.548 1.00 0.00 C ATOM 678 O THR A 43 -3.388 -1.283 9.474 1.00 0.00 O ATOM 679 CB THR A 43 -6.188 -1.803 7.865 1.00 0.00 C ATOM 680 OG1 THR A 43 -7.098 -1.167 6.959 1.00 0.00 O ATOM 681 CG2 THR A 43 -6.508 -1.373 9.288 1.00 0.00 C ATOM 0 H THR A 43 -5.089 -2.478 5.722 1.00 0.00 H new ATOM 0 HA THR A 43 -4.660 -0.332 7.485 1.00 0.00 H new ATOM 0 HB THR A 43 -6.291 -2.886 7.793 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.055 -1.611 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.533 -1.652 9.531 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.824 -1.866 9.979 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.396 -0.292 9.375 1.00 0.00 H new ATOM 689 N ARG A 44 -3.446 -3.258 8.397 1.00 0.00 N ATOM 690 CA ARG A 44 -2.522 -3.912 9.317 1.00 0.00 C ATOM 691 C ARG A 44 -1.132 -3.295 9.233 1.00 0.00 C ATOM 692 O ARG A 44 -0.456 -3.126 10.249 1.00 0.00 O ATOM 693 CB ARG A 44 -2.476 -5.420 9.106 1.00 0.00 C ATOM 694 CG ARG A 44 -3.709 -6.170 9.582 1.00 0.00 C ATOM 695 CD ARG A 44 -3.686 -7.627 9.298 1.00 0.00 C ATOM 696 NE ARG A 44 -4.845 -8.355 9.788 1.00 0.00 N ATOM 697 CZ ARG A 44 -5.055 -9.674 9.605 1.00 0.00 C ATOM 698 NH1 ARG A 44 -4.209 -10.404 8.912 1.00 0.00 N ATOM 699 NH2 ARG A 44 -6.147 -10.211 10.121 1.00 0.00 N ATOM 0 H ARG A 44 -3.789 -3.858 7.647 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.900 -3.745 10.325 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.335 -5.620 8.044 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.604 -5.818 9.624 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.817 -6.023 10.657 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.590 -5.734 9.111 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.610 -7.773 8.221 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.788 -8.057 9.742 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.549 -7.831 10.307 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.379 -9.973 8.504 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.382 -11.401 8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.804 -9.630 10.641 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.333 -11.207 9.999 1.00 0.00 H new ATOM 713 N LEU A 45 -0.710 -2.960 8.020 1.00 0.00 N ATOM 714 CA LEU A 45 0.559 -2.272 7.813 1.00 0.00 C ATOM 715 C LEU A 45 0.540 -0.881 8.432 1.00 0.00 C ATOM 716 O LEU A 45 1.536 -0.431 8.999 1.00 0.00 O ATOM 717 CB LEU A 45 0.875 -2.185 6.314 1.00 0.00 C ATOM 718 CG LEU A 45 1.246 -3.515 5.646 1.00 0.00 C ATOM 719 CD1 LEU A 45 1.352 -3.329 4.137 1.00 0.00 C ATOM 720 CD2 LEU A 45 2.560 -4.022 6.220 1.00 0.00 C ATOM 0 H LEU A 45 -1.229 -3.154 7.163 1.00 0.00 H new ATOM 0 HA LEU A 45 1.341 -2.848 8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.009 -1.768 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.698 -1.484 6.173 1.00 0.00 H new ATOM 0 HG LEU A 45 0.468 -4.252 5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.616 -4.278 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.395 -2.986 3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.121 -2.590 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.824 -4.967 5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.346 -3.290 6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.454 -4.173 7.294 1.00 0.00 H new ATOM 732 N HIS A 46 -0.597 -0.204 8.324 1.00 0.00 N ATOM 733 CA HIS A 46 -0.763 1.117 8.912 1.00 0.00 C ATOM 734 C HIS A 46 -0.657 1.062 10.431 1.00 0.00 C ATOM 735 O HIS A 46 -0.036 1.924 11.052 1.00 0.00 O ATOM 736 CB HIS A 46 -2.107 1.730 8.504 1.00 0.00 C ATOM 737 CG HIS A 46 -2.335 3.104 9.051 1.00 0.00 C ATOM 738 ND1 HIS A 46 -1.483 4.158 8.792 1.00 0.00 N ATOM 739 CD2 HIS A 46 -3.314 3.598 9.844 1.00 0.00 C ATOM 740 CE1 HIS A 46 -1.932 5.241 9.402 1.00 0.00 C ATOM 741 NE2 HIS A 46 -3.040 4.927 10.047 1.00 0.00 N ATOM 0 H HIS A 46 -1.420 -0.551 7.832 1.00 0.00 H new ATOM 0 HA HIS A 46 0.041 1.748 8.533 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.163 1.768 7.416 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.911 1.076 8.842 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -0.640 4.109 8.220 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.154 3.049 10.243 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.471 6.217 9.377 1.00 0.00 H new ATOM 749 N GLN A 47 -1.267 0.041 11.024 1.00 0.00 N ATOM 750 CA GLN A 47 -1.184 -0.169 12.464 1.00 0.00 C ATOM 751 C GLN A 47 0.240 -0.501 12.890 1.00 0.00 C ATOM 752 O GLN A 47 0.661 -0.166 13.998 1.00 0.00 O ATOM 753 CB GLN A 47 -2.129 -1.294 12.898 1.00 0.00 C ATOM 754 CG GLN A 47 -3.601 -0.930 12.832 1.00 0.00 C ATOM 755 CD GLN A 47 -4.503 -2.102 13.167 1.00 0.00 C ATOM 756 OE1 GLN A 47 -4.033 -3.218 13.406 1.00 0.00 O ATOM 757 NE2 GLN A 47 -5.808 -1.858 13.180 1.00 0.00 N ATOM 0 H GLN A 47 -1.825 -0.654 10.528 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.484 0.759 12.952 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.953 -2.165 12.267 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.884 -1.586 13.919 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.801 -0.112 13.524 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.838 -0.567 11.832 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.154 -0.920 12.976 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.465 -2.608 13.394 1.00 0.00 H new ATOM 766 N ARG A 48 0.978 -1.163 12.006 1.00 0.00 N ATOM 767 CA ARG A 48 2.379 -1.479 12.261 1.00 0.00 C ATOM 768 C ARG A 48 3.248 -0.231 12.184 1.00 0.00 C ATOM 769 O ARG A 48 4.307 -0.161 12.806 1.00 0.00 O ATOM 770 CB ARG A 48 2.896 -2.575 11.339 1.00 0.00 C ATOM 771 CG ARG A 48 2.359 -3.966 11.638 1.00 0.00 C ATOM 772 CD ARG A 48 2.754 -5.000 10.647 1.00 0.00 C ATOM 773 NE ARG A 48 2.220 -6.326 10.914 1.00 0.00 N ATOM 774 CZ ARG A 48 2.296 -7.367 10.063 1.00 0.00 C ATOM 775 NH1 ARG A 48 2.848 -7.233 8.876 1.00 0.00 N ATOM 776 NH2 ARG A 48 1.782 -8.523 10.442 1.00 0.00 N ATOM 0 H ARG A 48 0.629 -1.492 11.106 1.00 0.00 H new ATOM 0 HA ARG A 48 2.440 -1.866 13.278 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.642 -2.316 10.311 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.984 -2.600 11.401 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.707 -4.273 12.624 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.271 -3.921 11.684 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.425 -4.682 9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.842 -5.060 10.617 1.00 0.00 H new ATOM 0 HE ARG A 48 1.755 -6.478 11.809 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.226 -6.330 8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.898 -8.032 8.243 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.342 -8.610 11.358 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.825 -9.329 9.818 1.00 0.00 H new ATOM 790 N GLY A 49 2.794 0.754 11.416 1.00 0.00 N ATOM 791 CA GLY A 49 3.563 1.974 11.200 1.00 0.00 C ATOM 792 C GLY A 49 4.372 1.896 9.913 1.00 0.00 C ATOM 793 O GLY A 49 5.331 2.645 9.724 1.00 0.00 O ATOM 0 H GLY A 49 1.896 0.731 10.932 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.888 2.829 11.157 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.233 2.139 12.044 1.00 0.00 H new ATOM 797 N VAL A 50 3.982 0.983 9.030 1.00 0.00 N ATOM 798 CA VAL A 50 4.699 0.773 7.778 1.00 0.00 C ATOM 799 C VAL A 50 4.263 1.776 6.718 1.00 0.00 C ATOM 800 O VAL A 50 5.094 2.391 6.051 1.00 0.00 O ATOM 801 CB VAL A 50 4.488 -0.654 7.239 1.00 0.00 C ATOM 802 CG1 VAL A 50 5.167 -0.819 5.887 1.00 0.00 C ATOM 803 CG2 VAL A 50 5.017 -1.682 8.227 1.00 0.00 C ATOM 0 H VAL A 50 3.172 0.376 9.159 1.00 0.00 H new ATOM 0 HA VAL A 50 5.758 0.917 7.995 1.00 0.00 H new ATOM 0 HB VAL A 50 3.418 -0.818 7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.008 -1.833 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.744 -0.107 5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.236 -0.635 5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.859 -2.684 7.829 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.083 -1.519 8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.489 -1.581 9.175 1.00 0.00 H new ATOM 813 N ILE A 51 2.952 1.935 6.566 1.00 0.00 N ATOM 814 CA ILE A 51 2.402 2.901 5.622 1.00 0.00 C ATOM 815 C ILE A 51 1.449 3.868 6.315 1.00 0.00 C ATOM 816 O ILE A 51 0.951 3.588 7.406 1.00 0.00 O ATOM 817 CB ILE A 51 1.662 2.204 4.467 1.00 0.00 C ATOM 818 CG1 ILE A 51 0.478 1.394 5.002 1.00 0.00 C ATOM 819 CG2 ILE A 51 2.614 1.311 3.688 1.00 0.00 C ATOM 820 CD1 ILE A 51 -0.411 0.826 3.921 1.00 0.00 C ATOM 0 H ILE A 51 2.250 1.407 7.085 1.00 0.00 H new ATOM 0 HA ILE A 51 3.246 3.458 5.215 1.00 0.00 H new ATOM 0 HB ILE A 51 1.278 2.968 3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.857 0.576 5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.120 2.030 5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.074 0.826 2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.424 1.914 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.027 0.552 4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.227 0.266 4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.820 1.639 3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.172 0.163 3.282 1.00 0.00 H new ATOM 832 N TYR A 52 1.199 5.005 5.676 1.00 0.00 N ATOM 833 CA TYR A 52 0.269 5.994 6.207 1.00 0.00 C ATOM 834 C TYR A 52 -0.743 6.422 5.152 1.00 0.00 C ATOM 835 O TYR A 52 -0.399 6.593 3.982 1.00 0.00 O ATOM 836 CB TYR A 52 1.028 7.214 6.733 1.00 0.00 C ATOM 837 CG TYR A 52 1.872 6.932 7.955 1.00 0.00 C ATOM 838 CD1 TYR A 52 3.153 6.415 7.835 1.00 0.00 C ATOM 839 CD2 TYR A 52 1.385 7.185 9.229 1.00 0.00 C ATOM 840 CE1 TYR A 52 3.929 6.155 8.948 1.00 0.00 C ATOM 841 CE2 TYR A 52 2.151 6.929 10.350 1.00 0.00 C ATOM 842 CZ TYR A 52 3.422 6.413 10.205 1.00 0.00 C ATOM 843 OH TYR A 52 4.189 6.159 11.319 1.00 0.00 O ATOM 0 H TYR A 52 1.628 5.265 4.788 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.274 5.532 7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.670 7.599 5.941 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.311 8.000 6.972 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.552 6.212 6.852 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.390 7.589 9.347 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.925 5.753 8.835 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.757 7.132 11.335 1.00 0.00 H new ATOM 0 HH TYR A 52 3.684 6.397 12.125 1.00 0.00 H new ATOM 853 N ARG A 53 -1.992 6.593 5.571 1.00 0.00 N ATOM 854 CA ARG A 53 -3.066 6.945 4.653 1.00 0.00 C ATOM 855 C ARG A 53 -3.372 8.437 4.705 1.00 0.00 C ATOM 856 O ARG A 53 -3.557 9.004 5.783 1.00 0.00 O ATOM 857 CB ARG A 53 -4.317 6.112 4.888 1.00 0.00 C ATOM 858 CG ARG A 53 -5.444 6.354 3.895 1.00 0.00 C ATOM 859 CD ARG A 53 -6.587 5.415 4.024 1.00 0.00 C ATOM 860 NE ARG A 53 -7.293 5.497 5.292 1.00 0.00 N ATOM 861 CZ ARG A 53 -8.264 4.647 5.684 1.00 0.00 C ATOM 862 NH1 ARG A 53 -8.672 3.676 4.898 1.00 0.00 N ATOM 863 NH2 ARG A 53 -8.813 4.832 6.872 1.00 0.00 N ATOM 0 H ARG A 53 -2.285 6.493 6.543 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.715 6.712 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.045 5.057 4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.688 6.315 5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.810 7.373 4.021 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.043 6.282 2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.293 5.608 3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.221 4.397 3.891 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.036 6.250 5.930 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.253 3.556 3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.407 3.042 5.210 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.500 5.601 7.464 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.550 4.206 7.196 1.00 0.00 H new ATOM 877 N LYS A 54 -3.423 9.067 3.536 1.00 0.00 N ATOM 878 CA LYS A 54 -3.802 10.472 3.440 1.00 0.00 C ATOM 879 C LYS A 54 -4.990 10.658 2.505 1.00 0.00 C ATOM 880 O LYS A 54 -5.255 9.817 1.646 1.00 0.00 O ATOM 881 CB LYS A 54 -2.618 11.314 2.963 1.00 0.00 C ATOM 882 CG LYS A 54 -1.451 11.369 3.939 1.00 0.00 C ATOM 883 CD LYS A 54 -0.350 12.288 3.432 1.00 0.00 C ATOM 884 CE LYS A 54 0.804 12.369 4.422 1.00 0.00 C ATOM 885 NZ LYS A 54 1.866 13.303 3.964 1.00 0.00 N ATOM 0 H LYS A 54 -3.207 8.627 2.642 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.096 10.808 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.263 10.914 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.964 12.330 2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.802 11.719 4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.051 10.366 4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.017 11.924 2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.756 13.285 3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.428 12.695 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.231 11.376 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.632 13.329 4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.244 12.978 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.466 14.257 3.854 1.00 0.00 H new ATOM 899 N TRP A 55 -5.702 11.767 2.675 1.00 0.00 N ATOM 900 CA TRP A 55 -6.904 12.033 1.896 1.00 0.00 C ATOM 901 C TRP A 55 -6.706 13.220 0.963 1.00 0.00 C ATOM 902 O TRP A 55 -6.329 14.308 1.398 1.00 0.00 O ATOM 903 CB TRP A 55 -8.095 12.286 2.822 1.00 0.00 C ATOM 904 CG TRP A 55 -8.620 11.046 3.477 1.00 0.00 C ATOM 905 CD1 TRP A 55 -9.679 10.293 3.066 1.00 0.00 C ATOM 906 CD2 TRP A 55 -8.109 10.411 4.656 1.00 0.00 C ATOM 907 NE1 TRP A 55 -9.863 9.230 3.916 1.00 0.00 N ATOM 908 CE2 TRP A 55 -8.908 9.280 4.902 1.00 0.00 C ATOM 909 CE3 TRP A 55 -7.051 10.692 5.530 1.00 0.00 C ATOM 910 CZ2 TRP A 55 -8.688 8.434 5.977 1.00 0.00 C ATOM 911 CZ3 TRP A 55 -6.829 9.842 6.606 1.00 0.00 C ATOM 912 CH2 TRP A 55 -7.625 8.746 6.823 1.00 0.00 C ATOM 0 H TRP A 55 -5.466 12.497 3.347 1.00 0.00 H new ATOM 0 HA TRP A 55 -7.108 11.152 1.287 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -7.800 12.997 3.594 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.897 12.752 2.249 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -10.286 10.502 2.197 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -10.590 8.520 3.829 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.420 11.554 5.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -9.313 7.571 6.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.014 10.048 7.285 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.423 8.109 7.671 1.00 0.00 H new ATOM 923 N ARG A 56 -6.964 13.005 -0.324 1.00 0.00 N ATOM 924 CA ARG A 56 -6.938 14.087 -1.302 1.00 0.00 C ATOM 925 C ARG A 56 -8.342 14.420 -1.791 1.00 0.00 C ATOM 926 O ARG A 56 -9.069 13.545 -2.263 1.00 0.00 O ATOM 927 CB ARG A 56 -5.999 13.790 -2.460 1.00 0.00 C ATOM 928 CG ARG A 56 -5.918 14.883 -3.514 1.00 0.00 C ATOM 929 CD ARG A 56 -4.963 14.602 -4.616 1.00 0.00 C ATOM 930 NE ARG A 56 -4.886 15.643 -5.628 1.00 0.00 N ATOM 931 CZ ARG A 56 -4.169 15.555 -6.765 1.00 0.00 C ATOM 932 NH1 ARG A 56 -3.435 14.495 -7.022 1.00 0.00 N ATOM 933 NH2 ARG A 56 -4.202 16.575 -7.605 1.00 0.00 N ATOM 0 H ARG A 56 -7.194 12.091 -0.714 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.543 14.968 -0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.999 13.614 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.319 12.865 -2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.910 15.035 -3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.632 15.817 -3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.971 14.453 -4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.248 13.666 -5.097 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.413 16.501 -5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.403 13.723 -6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.898 14.444 -7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.760 17.400 -7.384 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.669 16.537 -8.474 1.00 0.00 H new ATOM 947 N HIS A 57 -8.717 15.690 -1.679 1.00 0.00 N ATOM 948 CA HIS A 57 -10.044 16.135 -2.083 1.00 0.00 C ATOM 949 C HIS A 57 -10.052 16.592 -3.537 1.00 0.00 C ATOM 950 O HIS A 57 -9.214 17.392 -3.950 1.00 0.00 O ATOM 951 CB HIS A 57 -10.537 17.268 -1.176 1.00 0.00 C ATOM 952 CG HIS A 57 -10.689 16.866 0.259 1.00 0.00 C ATOM 953 ND1 HIS A 57 -11.235 17.700 1.210 1.00 0.00 N ATOM 954 CD2 HIS A 57 -10.366 15.719 0.903 1.00 0.00 C ATOM 955 CE1 HIS A 57 -11.242 17.083 2.380 1.00 0.00 C ATOM 956 NE2 HIS A 57 -10.721 15.882 2.220 1.00 0.00 N ATOM 0 H HIS A 57 -8.119 16.430 -1.311 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.720 15.286 -1.985 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.838 18.102 -1.239 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.497 17.628 -1.547 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.914 14.842 0.464 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.611 17.493 3.308 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.601 15.186 2.956 1.00 0.00 H new ATOM 964 N PHE A 58 -11.005 16.079 -4.308 1.00 0.00 N ATOM 965 CA PHE A 58 -11.104 16.408 -5.724 1.00 0.00 C ATOM 966 C PHE A 58 -12.528 16.226 -6.232 1.00 0.00 C ATOM 967 O PHE A 58 -13.118 15.155 -6.092 1.00 0.00 O ATOM 968 CB PHE A 58 -10.141 15.545 -6.541 1.00 0.00 C ATOM 969 CG PHE A 58 -10.187 15.818 -8.018 1.00 0.00 C ATOM 970 CD1 PHE A 58 -9.609 16.963 -8.545 1.00 0.00 C ATOM 971 CD2 PHE A 58 -10.810 14.930 -8.882 1.00 0.00 C ATOM 972 CE1 PHE A 58 -9.651 17.214 -9.904 1.00 0.00 C ATOM 973 CE2 PHE A 58 -10.854 15.179 -10.241 1.00 0.00 C ATOM 974 CZ PHE A 58 -10.274 16.322 -10.752 1.00 0.00 C ATOM 0 H PHE A 58 -11.720 15.433 -3.975 1.00 0.00 H new ATOM 0 HA PHE A 58 -10.830 17.456 -5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.125 15.711 -6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.373 14.494 -6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.121 17.666 -7.887 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -11.266 14.034 -8.489 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -9.196 18.109 -10.302 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -11.342 14.479 -10.903 1.00 0.00 H new ATOM 0 HZ PHE A 58 -10.308 16.518 -11.814 1.00 0.00 H new ATOM 984 N SER A 59 -13.079 17.281 -6.825 1.00 0.00 N ATOM 985 CA SER A 59 -14.441 17.246 -7.344 1.00 0.00 C ATOM 986 C SER A 59 -15.430 16.827 -6.265 1.00 0.00 C ATOM 987 O SER A 59 -16.416 16.144 -6.543 1.00 0.00 O ATOM 988 CB SER A 59 -14.523 16.305 -8.530 1.00 0.00 C ATOM 989 OG SER A 59 -13.696 16.714 -9.586 1.00 0.00 O ATOM 0 H SER A 59 -12.601 18.172 -6.958 1.00 0.00 H new ATOM 0 HA SER A 59 -14.707 18.252 -7.670 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.239 15.301 -8.216 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.554 16.250 -8.878 1.00 0.00 H new ATOM 0 HG SER A 59 -12.866 16.194 -9.572 1.00 0.00 H new ATOM 995 N GLY A 60 -15.163 17.241 -5.031 1.00 0.00 N ATOM 996 CA GLY A 60 -16.075 16.986 -3.922 1.00 0.00 C ATOM 997 C GLY A 60 -16.020 15.528 -3.488 1.00 0.00 C ATOM 998 O GLY A 60 -16.968 15.010 -2.896 1.00 0.00 O ATOM 0 H GLY A 60 -14.321 17.756 -4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.817 17.629 -3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.092 17.242 -4.218 1.00 0.00 H new ATOM 1002 N ARG A 61 -14.905 14.869 -3.783 1.00 0.00 N ATOM 1003 CA ARG A 61 -14.731 13.463 -3.439 1.00 0.00 C ATOM 1004 C ARG A 61 -13.419 13.236 -2.698 1.00 0.00 C ATOM 1005 O ARG A 61 -12.418 13.895 -2.975 1.00 0.00 O ATOM 1006 CB ARG A 61 -14.850 12.554 -4.653 1.00 0.00 C ATOM 1007 CG ARG A 61 -16.215 12.557 -5.322 1.00 0.00 C ATOM 1008 CD ARG A 61 -16.302 11.712 -6.541 1.00 0.00 C ATOM 1009 NE ARG A 61 -17.604 11.717 -7.187 1.00 0.00 N ATOM 1010 CZ ARG A 61 -17.888 11.081 -8.340 1.00 0.00 C ATOM 1011 NH1 ARG A 61 -16.961 10.418 -8.995 1.00 0.00 N ATOM 1012 NH2 ARG A 61 -19.122 11.159 -8.809 1.00 0.00 N ATOM 0 H ARG A 61 -14.107 15.287 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.546 13.195 -2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.101 12.852 -5.387 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.612 11.534 -4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.959 12.214 -4.603 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.475 13.582 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.554 12.052 -7.257 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.046 10.686 -6.276 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.355 12.239 -6.736 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.009 10.379 -8.632 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.194 9.942 -9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.828 11.690 -8.300 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.367 10.688 -9.680 1.00 0.00 H new ATOM 1026 N LYS A 62 -13.431 12.299 -1.757 1.00 0.00 N ATOM 1027 CA LYS A 62 -12.265 12.038 -0.921 1.00 0.00 C ATOM 1028 C LYS A 62 -11.525 10.789 -1.383 1.00 0.00 C ATOM 1029 O LYS A 62 -12.011 9.671 -1.218 1.00 0.00 O ATOM 1030 CB LYS A 62 -12.679 11.891 0.544 1.00 0.00 C ATOM 1031 CG LYS A 62 -13.256 13.157 1.165 1.00 0.00 C ATOM 1032 CD LYS A 62 -13.616 12.941 2.627 1.00 0.00 C ATOM 1033 CE LYS A 62 -14.143 14.219 3.262 1.00 0.00 C ATOM 1034 NZ LYS A 62 -14.445 14.039 4.709 1.00 0.00 N ATOM 0 H LYS A 62 -14.236 11.707 -1.554 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.590 12.889 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.418 11.093 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.811 11.579 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.532 13.968 1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.143 13.464 0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.368 12.156 2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.738 12.597 3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.407 15.014 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.045 14.538 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.801 14.933 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.166 13.298 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.579 13.760 5.212 1.00 0.00 H new ATOM 1048 N TYR A 63 -10.345 10.988 -1.963 1.00 0.00 N ATOM 1049 CA TYR A 63 -9.545 9.879 -2.469 1.00 0.00 C ATOM 1050 C TYR A 63 -8.494 9.451 -1.453 1.00 0.00 C ATOM 1051 O TYR A 63 -7.845 10.288 -0.825 1.00 0.00 O ATOM 1052 CB TYR A 63 -8.872 10.265 -3.788 1.00 0.00 C ATOM 1053 CG TYR A 63 -9.839 10.475 -4.932 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -10.432 11.711 -5.145 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -10.156 9.437 -5.796 1.00 0.00 C ATOM 1056 CE1 TYR A 63 -11.317 11.909 -6.187 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -11.039 9.623 -6.842 1.00 0.00 C ATOM 1058 CZ TYR A 63 -11.618 10.861 -7.034 1.00 0.00 C ATOM 1059 OH TYR A 63 -12.497 11.052 -8.076 1.00 0.00 O ATOM 0 H TYR A 63 -9.922 11.907 -2.094 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.214 9.036 -2.644 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.298 11.180 -3.638 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.162 9.485 -4.064 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.198 12.533 -4.485 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.705 8.467 -5.648 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.771 12.877 -6.338 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.275 8.804 -7.506 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.598 10.215 -8.576 1.00 0.00 H new ATOM 1069 N ARG A 64 -8.330 8.142 -1.295 1.00 0.00 N ATOM 1070 CA ARG A 64 -7.425 7.598 -0.289 1.00 0.00 C ATOM 1071 C ARG A 64 -6.096 7.186 -0.910 1.00 0.00 C ATOM 1072 O ARG A 64 -6.058 6.376 -1.837 1.00 0.00 O ATOM 1073 CB ARG A 64 -8.054 6.453 0.492 1.00 0.00 C ATOM 1074 CG ARG A 64 -9.252 6.843 1.344 1.00 0.00 C ATOM 1075 CD ARG A 64 -9.981 5.693 1.938 1.00 0.00 C ATOM 1076 NE ARG A 64 -11.165 6.058 2.697 1.00 0.00 N ATOM 1077 CZ ARG A 64 -11.994 5.177 3.292 1.00 0.00 C ATOM 1078 NH1 ARG A 64 -11.794 3.882 3.189 1.00 0.00 N ATOM 1079 NH2 ARG A 64 -13.029 5.649 3.964 1.00 0.00 N ATOM 0 H ARG A 64 -8.813 7.437 -1.852 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.227 8.395 0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.363 5.679 -0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.295 6.012 1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.914 7.498 2.147 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.945 7.421 0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.273 5.012 1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.301 5.146 2.591 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.384 7.050 2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.001 3.529 2.652 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.431 3.230 3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.183 6.656 4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.674 5.007 4.425 1.00 0.00 H new ATOM 1093 N GLU A 65 -5.009 7.748 -0.393 1.00 0.00 N ATOM 1094 CA GLU A 65 -3.680 7.479 -0.929 1.00 0.00 C ATOM 1095 C GLU A 65 -2.747 6.947 0.152 1.00 0.00 C ATOM 1096 O GLU A 65 -2.709 7.471 1.265 1.00 0.00 O ATOM 1097 CB GLU A 65 -3.089 8.742 -1.559 1.00 0.00 C ATOM 1098 CG GLU A 65 -3.884 9.288 -2.737 1.00 0.00 C ATOM 1099 CD GLU A 65 -3.218 10.498 -3.331 1.00 0.00 C ATOM 1100 OE1 GLU A 65 -2.172 10.871 -2.855 1.00 0.00 O ATOM 1101 OE2 GLU A 65 -3.695 10.983 -4.329 1.00 0.00 O ATOM 0 H GLU A 65 -5.022 8.393 0.397 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.781 6.714 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.018 9.516 -0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.073 8.527 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.986 8.515 -3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.891 9.548 -2.410 1.00 0.00 H new ATOM 1108 N TYR A 66 -1.995 5.904 -0.182 1.00 0.00 N ATOM 1109 CA TYR A 66 -1.125 5.245 0.784 1.00 0.00 C ATOM 1110 C TYR A 66 0.342 5.544 0.499 1.00 0.00 C ATOM 1111 O TYR A 66 0.804 5.402 -0.633 1.00 0.00 O ATOM 1112 CB TYR A 66 -1.364 3.733 0.776 1.00 0.00 C ATOM 1113 CG TYR A 66 -2.757 3.331 1.205 1.00 0.00 C ATOM 1114 CD1 TYR A 66 -3.788 3.237 0.281 1.00 0.00 C ATOM 1115 CD2 TYR A 66 -3.039 3.044 2.532 1.00 0.00 C ATOM 1116 CE1 TYR A 66 -5.063 2.871 0.666 1.00 0.00 C ATOM 1117 CE2 TYR A 66 -4.309 2.676 2.929 1.00 0.00 C ATOM 1118 CZ TYR A 66 -5.320 2.590 1.992 1.00 0.00 C ATOM 1119 OH TYR A 66 -6.588 2.224 2.383 1.00 0.00 O ATOM 0 H TYR A 66 -1.971 5.496 -1.117 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.367 5.637 1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.179 3.351 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.639 3.257 1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.590 3.454 -0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.251 3.110 3.268 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.854 2.805 -0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.511 2.456 3.967 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.598 2.060 3.349 1.00 0.00 H new ATOM 1129 N CYS A 67 1.067 5.959 1.530 1.00 0.00 N ATOM 1130 CA CYS A 67 2.490 6.249 1.399 1.00 0.00 C ATOM 1131 C CYS A 67 3.327 5.303 2.252 1.00 0.00 C ATOM 1132 O CYS A 67 2.918 4.913 3.345 1.00 0.00 O ATOM 1133 CB CYS A 67 2.592 7.680 1.925 1.00 0.00 C ATOM 1134 SG CYS A 67 1.566 8.879 1.040 1.00 0.00 S ATOM 0 H CYS A 67 0.693 6.103 2.468 1.00 0.00 H new ATOM 0 HA CYS A 67 2.859 6.129 0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 67 2.311 7.688 2.978 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.632 8.001 1.870 1.00 0.00 H new ATOM 0 HG CYS A 67 1.725 10.058 1.565 1.00 0.00 H new ATOM 1140 N LEU A 68 4.501 4.939 1.745 1.00 0.00 N ATOM 1141 CA LEU A 68 5.366 3.985 2.426 1.00 0.00 C ATOM 1142 C LEU A 68 6.525 4.690 3.121 1.00 0.00 C ATOM 1143 O LEU A 68 7.256 5.460 2.500 1.00 0.00 O ATOM 1144 CB LEU A 68 5.893 2.944 1.431 1.00 0.00 C ATOM 1145 CG LEU A 68 6.821 1.879 2.031 1.00 0.00 C ATOM 1146 CD1 LEU A 68 6.039 0.979 2.977 1.00 0.00 C ATOM 1147 CD2 LEU A 68 7.451 1.065 0.910 1.00 0.00 C ATOM 0 H LEU A 68 4.874 5.292 0.864 1.00 0.00 H new ATOM 0 HA LEU A 68 4.776 3.478 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.042 2.443 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.428 3.463 0.636 1.00 0.00 H new ATOM 0 HG LEU A 68 7.613 2.365 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.706 0.226 3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.615 1.579 3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.236 0.486 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.110 0.309 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.668 0.578 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.027 1.724 0.261 1.00 0.00 H new