USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 544 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 NoAdj-H: A 64 HIS HD1 : A 64 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 26 ASN :FLIP amide:sc= -7.27! C(o=-9.3!,f=-7.8!) USER MOD Set 1.2: A 57 CYS SG : rot 178:sc= -0.516 USER MOD Set 2.1: A 8 GLN : amide:sc= -0.166 K(o=-2.1,f=-3.7!) USER MOD Set 2.2: A 10 MET CE :methyl -165:sc= -1.95! (180deg=-2.15!) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0523 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.717 K(o=-0.72,f=-4.3!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.000744 X(o=-0.00074,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.667 X(o=-0.67,f=-0.64) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -2.2 K(o=-2.2,f=-7.2!) USER MOD Single : A 38 HIS : no HD1:sc= -2.54 X(o=-2.5,f=-2.8) USER MOD Single : A 40 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.53) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -95:sc= 1.12 USER MOD Single : A 59 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.0047) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0435 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.465 3.335 -27.029 1.00 0.00 N ATOM 2 CA GLY A 1 11.930 2.368 -26.051 1.00 0.00 C ATOM 3 C GLY A 1 11.527 2.735 -24.637 1.00 0.00 C ATOM 4 O GLY A 1 10.572 3.483 -24.430 1.00 0.00 O ATOM 0 H1 GLY A 1 11.103 2.835 -27.866 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.705 3.911 -26.614 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.254 3.953 -27.309 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.528 1.385 -26.297 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.016 2.292 -26.108 1.00 0.00 H new ATOM 8 N SER A 2 12.256 2.206 -23.659 1.00 0.00 N ATOM 9 CA SER A 2 11.966 2.478 -22.256 1.00 0.00 C ATOM 10 C SER A 2 13.218 2.952 -21.525 1.00 0.00 C ATOM 11 O SER A 2 14.306 2.410 -21.718 1.00 0.00 O ATOM 12 CB SER A 2 11.409 1.225 -21.577 1.00 0.00 C ATOM 13 OG SER A 2 10.981 1.509 -20.256 1.00 0.00 O ATOM 0 H SER A 2 13.052 1.587 -23.813 1.00 0.00 H new ATOM 0 HA SER A 2 11.218 3.270 -22.211 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.573 0.834 -22.157 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.174 0.448 -21.556 1.00 0.00 H new ATOM 0 HG SER A 2 10.628 0.693 -19.844 1.00 0.00 H new ATOM 19 N SER A 3 13.055 3.968 -20.683 1.00 0.00 N ATOM 20 CA SER A 3 14.172 4.519 -19.925 1.00 0.00 C ATOM 21 C SER A 3 14.335 3.793 -18.593 1.00 0.00 C ATOM 22 O SER A 3 13.370 3.611 -17.851 1.00 0.00 O ATOM 23 CB SER A 3 13.961 6.015 -19.681 1.00 0.00 C ATOM 24 OG SER A 3 14.265 6.768 -20.843 1.00 0.00 O ATOM 0 H SER A 3 12.160 4.426 -20.509 1.00 0.00 H new ATOM 0 HA SER A 3 15.081 4.378 -20.510 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.928 6.197 -19.386 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.591 6.345 -18.855 1.00 0.00 H new ATOM 0 HG SER A 3 14.121 7.720 -20.663 1.00 0.00 H new ATOM 30 N GLY A 4 15.564 3.382 -18.296 1.00 0.00 N ATOM 31 CA GLY A 4 15.832 2.680 -17.055 1.00 0.00 C ATOM 32 C GLY A 4 17.164 3.070 -16.445 1.00 0.00 C ATOM 33 O GLY A 4 17.560 4.234 -16.494 1.00 0.00 O ATOM 0 H GLY A 4 16.379 3.523 -18.893 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.034 2.890 -16.343 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.821 1.606 -17.239 1.00 0.00 H new ATOM 37 N SER A 5 17.856 2.094 -15.866 1.00 0.00 N ATOM 38 CA SER A 5 19.149 2.341 -15.239 1.00 0.00 C ATOM 39 C SER A 5 20.256 2.411 -16.286 1.00 0.00 C ATOM 40 O SER A 5 20.759 1.384 -16.742 1.00 0.00 O ATOM 41 CB SER A 5 19.463 1.245 -14.219 1.00 0.00 C ATOM 42 OG SER A 5 20.745 1.434 -13.646 1.00 0.00 O ATOM 0 H SER A 5 17.543 1.125 -15.818 1.00 0.00 H new ATOM 0 HA SER A 5 19.098 3.301 -14.725 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.707 1.247 -13.434 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.418 0.269 -14.703 1.00 0.00 H new ATOM 0 HG SER A 5 20.921 0.722 -12.996 1.00 0.00 H new ATOM 48 N SER A 6 20.631 3.629 -16.662 1.00 0.00 N ATOM 49 CA SER A 6 21.676 3.834 -17.658 1.00 0.00 C ATOM 50 C SER A 6 22.982 4.261 -16.995 1.00 0.00 C ATOM 51 O SER A 6 24.069 3.950 -17.481 1.00 0.00 O ATOM 52 CB SER A 6 21.240 4.888 -18.677 1.00 0.00 C ATOM 53 OG SER A 6 21.213 6.180 -18.095 1.00 0.00 O ATOM 0 H SER A 6 20.227 4.489 -16.292 1.00 0.00 H new ATOM 0 HA SER A 6 21.842 2.888 -18.173 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.924 4.882 -19.526 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.251 4.639 -19.062 1.00 0.00 H new ATOM 0 HG SER A 6 20.933 6.836 -18.767 1.00 0.00 H new ATOM 59 N GLY A 7 22.867 4.977 -15.881 1.00 0.00 N ATOM 60 CA GLY A 7 24.045 5.437 -15.168 1.00 0.00 C ATOM 61 C GLY A 7 23.755 5.760 -13.716 1.00 0.00 C ATOM 62 O GLY A 7 22.682 5.439 -13.205 1.00 0.00 O ATOM 0 H GLY A 7 21.979 5.247 -15.459 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.819 4.671 -15.219 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.442 6.324 -15.662 1.00 0.00 H new ATOM 66 N GLN A 8 24.713 6.395 -13.050 1.00 0.00 N ATOM 67 CA GLN A 8 24.556 6.759 -11.647 1.00 0.00 C ATOM 68 C GLN A 8 24.580 8.274 -11.472 1.00 0.00 C ATOM 69 O GLN A 8 25.493 8.948 -11.948 1.00 0.00 O ATOM 70 CB GLN A 8 25.660 6.119 -10.805 1.00 0.00 C ATOM 71 CG GLN A 8 27.028 6.749 -11.014 1.00 0.00 C ATOM 72 CD GLN A 8 28.161 5.846 -10.568 1.00 0.00 C ATOM 73 OE1 GLN A 8 28.023 4.622 -10.547 1.00 0.00 O ATOM 74 NE2 GLN A 8 29.290 6.445 -10.208 1.00 0.00 N ATOM 0 H GLN A 8 25.606 6.668 -13.459 1.00 0.00 H new ATOM 0 HA GLN A 8 23.589 6.387 -11.308 1.00 0.00 H new ATOM 0 HB2 GLN A 8 25.392 6.195 -9.751 1.00 0.00 H new ATOM 0 HB3 GLN A 8 25.718 5.057 -11.044 1.00 0.00 H new ATOM 0 HG2 GLN A 8 27.155 6.991 -12.069 1.00 0.00 H new ATOM 0 HG3 GLN A 8 27.079 7.688 -10.464 1.00 0.00 H new ATOM 0 HE21 GLN A 8 29.361 7.462 -10.241 1.00 0.00 H new ATOM 0 HE22 GLN A 8 30.087 5.888 -9.899 1.00 0.00 H new ATOM 83 N GLN A 9 23.571 8.802 -10.786 1.00 0.00 N ATOM 84 CA GLN A 9 23.477 10.238 -10.550 1.00 0.00 C ATOM 85 C GLN A 9 24.277 10.639 -9.315 1.00 0.00 C ATOM 86 O GLN A 9 24.510 9.825 -8.422 1.00 0.00 O ATOM 87 CB GLN A 9 22.015 10.654 -10.383 1.00 0.00 C ATOM 88 CG GLN A 9 21.777 12.140 -10.595 1.00 0.00 C ATOM 89 CD GLN A 9 21.888 12.547 -12.051 1.00 0.00 C ATOM 90 OE1 GLN A 9 22.520 11.858 -12.854 1.00 0.00 O ATOM 91 NE2 GLN A 9 21.273 13.670 -12.401 1.00 0.00 N ATOM 0 H GLN A 9 22.808 8.257 -10.384 1.00 0.00 H new ATOM 0 HA GLN A 9 23.896 10.752 -11.415 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.403 10.092 -11.089 1.00 0.00 H new ATOM 0 HB3 GLN A 9 21.680 10.380 -9.383 1.00 0.00 H new ATOM 0 HG2 GLN A 9 20.787 12.402 -10.223 1.00 0.00 H new ATOM 0 HG3 GLN A 9 22.499 12.707 -10.007 1.00 0.00 H new ATOM 0 HE21 GLN A 9 20.761 14.210 -11.703 1.00 0.00 H new ATOM 0 HE22 GLN A 9 21.313 13.993 -13.368 1.00 0.00 H new ATOM 100 N MET A 10 24.695 11.900 -9.271 1.00 0.00 N ATOM 101 CA MET A 10 25.468 12.410 -8.144 1.00 0.00 C ATOM 102 C MET A 10 24.601 13.278 -7.238 1.00 0.00 C ATOM 103 O MET A 10 24.540 14.496 -7.405 1.00 0.00 O ATOM 104 CB MET A 10 26.669 13.214 -8.644 1.00 0.00 C ATOM 105 CG MET A 10 27.723 12.366 -9.337 1.00 0.00 C ATOM 106 SD MET A 10 28.307 11.005 -8.308 1.00 0.00 S ATOM 107 CE MET A 10 28.110 9.623 -9.430 1.00 0.00 C ATOM 0 H MET A 10 24.512 12.587 -10.002 1.00 0.00 H new ATOM 0 HA MET A 10 25.826 11.558 -7.566 1.00 0.00 H new ATOM 0 HB2 MET A 10 26.320 13.981 -9.335 1.00 0.00 H new ATOM 0 HB3 MET A 10 27.127 13.730 -7.800 1.00 0.00 H new ATOM 0 HG2 MET A 10 27.310 11.965 -10.263 1.00 0.00 H new ATOM 0 HG3 MET A 10 28.568 12.997 -9.612 1.00 0.00 H new ATOM 0 HE1 MET A 10 28.171 8.689 -8.871 1.00 0.00 H new ATOM 0 HE2 MET A 10 27.139 9.689 -9.922 1.00 0.00 H new ATOM 0 HE3 MET A 10 28.900 9.649 -10.181 1.00 0.00 H new ATOM 117 N GLN A 11 23.932 12.644 -6.280 1.00 0.00 N ATOM 118 CA GLN A 11 23.068 13.360 -5.350 1.00 0.00 C ATOM 119 C GLN A 11 22.667 12.466 -4.181 1.00 0.00 C ATOM 120 O GLN A 11 22.512 11.256 -4.338 1.00 0.00 O ATOM 121 CB GLN A 11 21.819 13.870 -6.070 1.00 0.00 C ATOM 122 CG GLN A 11 21.065 14.940 -5.297 1.00 0.00 C ATOM 123 CD GLN A 11 19.727 15.279 -5.924 1.00 0.00 C ATOM 124 OE1 GLN A 11 19.642 16.120 -6.819 1.00 0.00 O ATOM 125 NE2 GLN A 11 18.671 14.623 -5.456 1.00 0.00 N ATOM 0 H GLN A 11 23.972 11.636 -6.128 1.00 0.00 H new ATOM 0 HA GLN A 11 23.625 14.211 -4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 11 22.108 14.271 -7.041 1.00 0.00 H new ATOM 0 HB3 GLN A 11 21.150 13.030 -6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 11 20.907 14.600 -4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 11 21.675 15.842 -5.242 1.00 0.00 H new ATOM 0 HE21 GLN A 11 18.787 13.934 -4.713 1.00 0.00 H new ATOM 0 HE22 GLN A 11 17.744 14.808 -5.840 1.00 0.00 H new ATOM 134 N ALA A 12 22.502 13.071 -3.009 1.00 0.00 N ATOM 135 CA ALA A 12 22.117 12.330 -1.815 1.00 0.00 C ATOM 136 C ALA A 12 20.882 12.942 -1.162 1.00 0.00 C ATOM 137 O ALA A 12 20.987 13.883 -0.376 1.00 0.00 O ATOM 138 CB ALA A 12 23.272 12.286 -0.826 1.00 0.00 C ATOM 0 H ALA A 12 22.629 14.072 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 12 21.870 11.311 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 12 22.970 11.729 0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 12 24.128 11.795 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 12 23.546 13.302 -0.541 1.00 0.00 H new ATOM 144 N GLU A 13 19.714 12.403 -1.495 1.00 0.00 N ATOM 145 CA GLU A 13 18.459 12.899 -0.942 1.00 0.00 C ATOM 146 C GLU A 13 18.295 12.463 0.512 1.00 0.00 C ATOM 147 O GLU A 13 18.832 11.436 0.927 1.00 0.00 O ATOM 148 CB GLU A 13 17.276 12.398 -1.772 1.00 0.00 C ATOM 149 CG GLU A 13 16.769 11.031 -1.346 1.00 0.00 C ATOM 150 CD GLU A 13 16.091 10.282 -2.477 1.00 0.00 C ATOM 151 OE1 GLU A 13 14.895 10.542 -2.728 1.00 0.00 O ATOM 152 OE2 GLU A 13 16.755 9.435 -3.111 1.00 0.00 O ATOM 0 H GLU A 13 19.610 11.623 -2.144 1.00 0.00 H new ATOM 0 HA GLU A 13 18.482 13.988 -0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.461 13.118 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 13 17.571 12.356 -2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.604 10.438 -0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 13 16.067 11.149 -0.521 1.00 0.00 H new ATOM 159 N SER A 14 17.550 13.252 1.280 1.00 0.00 N ATOM 160 CA SER A 14 17.319 12.951 2.687 1.00 0.00 C ATOM 161 C SER A 14 15.926 13.399 3.117 1.00 0.00 C ATOM 162 O SER A 14 15.301 14.234 2.464 1.00 0.00 O ATOM 163 CB SER A 14 18.377 13.631 3.557 1.00 0.00 C ATOM 164 OG SER A 14 18.455 13.024 4.835 1.00 0.00 O ATOM 0 H SER A 14 17.096 14.104 0.951 1.00 0.00 H new ATOM 0 HA SER A 14 17.391 11.871 2.818 1.00 0.00 H new ATOM 0 HB2 SER A 14 19.348 13.575 3.065 1.00 0.00 H new ATOM 0 HB3 SER A 14 18.136 14.688 3.667 1.00 0.00 H new ATOM 0 HG SER A 14 19.140 13.476 5.371 1.00 0.00 H new ATOM 170 N GLY A 15 15.444 12.838 4.222 1.00 0.00 N ATOM 171 CA GLY A 15 14.128 13.191 4.721 1.00 0.00 C ATOM 172 C GLY A 15 13.028 12.357 4.096 1.00 0.00 C ATOM 173 O GLY A 15 12.770 12.454 2.896 1.00 0.00 O ATOM 0 H GLY A 15 15.942 12.145 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 15 14.107 13.063 5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 15 13.938 14.246 4.521 1.00 0.00 H new ATOM 177 N PHE A 16 12.377 11.533 4.911 1.00 0.00 N ATOM 178 CA PHE A 16 11.300 10.675 4.430 1.00 0.00 C ATOM 179 C PHE A 16 10.208 10.530 5.487 1.00 0.00 C ATOM 180 O PHE A 16 10.326 11.055 6.594 1.00 0.00 O ATOM 181 CB PHE A 16 11.846 9.297 4.052 1.00 0.00 C ATOM 182 CG PHE A 16 12.543 9.273 2.722 1.00 0.00 C ATOM 183 CD1 PHE A 16 13.795 9.848 2.571 1.00 0.00 C ATOM 184 CD2 PHE A 16 11.947 8.675 1.624 1.00 0.00 C ATOM 185 CE1 PHE A 16 14.439 9.827 1.348 1.00 0.00 C ATOM 186 CE2 PHE A 16 12.587 8.651 0.399 1.00 0.00 C ATOM 187 CZ PHE A 16 13.834 9.228 0.261 1.00 0.00 C ATOM 0 H PHE A 16 12.576 11.441 5.907 1.00 0.00 H new ATOM 0 HA PHE A 16 10.866 11.140 3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 16 12.541 8.966 4.824 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.024 8.581 4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 16 14.273 10.318 3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.972 8.223 1.726 1.00 0.00 H new ATOM 0 HE1 PHE A 16 15.414 10.279 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 16 12.112 8.181 -0.450 1.00 0.00 H new ATOM 0 HZ PHE A 16 14.335 9.211 -0.696 1.00 0.00 H new ATOM 197 N VAL A 17 9.145 9.814 5.136 1.00 0.00 N ATOM 198 CA VAL A 17 8.032 9.598 6.052 1.00 0.00 C ATOM 199 C VAL A 17 8.050 8.181 6.615 1.00 0.00 C ATOM 200 O VAL A 17 8.343 7.223 5.900 1.00 0.00 O ATOM 201 CB VAL A 17 6.678 9.846 5.360 1.00 0.00 C ATOM 202 CG1 VAL A 17 5.529 9.558 6.315 1.00 0.00 C ATOM 203 CG2 VAL A 17 6.602 11.272 4.836 1.00 0.00 C ATOM 0 H VAL A 17 9.031 9.373 4.223 1.00 0.00 H new ATOM 0 HA VAL A 17 8.151 10.312 6.867 1.00 0.00 H new ATOM 0 HB VAL A 17 6.593 9.166 4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.581 9.739 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.576 8.518 6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.606 10.211 7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.639 11.430 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.709 11.971 5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.403 11.438 4.116 1.00 0.00 H new ATOM 213 N GLN A 18 7.734 8.057 7.900 1.00 0.00 N ATOM 214 CA GLN A 18 7.715 6.756 8.559 1.00 0.00 C ATOM 215 C GLN A 18 6.308 6.407 9.033 1.00 0.00 C ATOM 216 O GLN A 18 5.857 6.880 10.077 1.00 0.00 O ATOM 217 CB GLN A 18 8.681 6.747 9.745 1.00 0.00 C ATOM 218 CG GLN A 18 8.642 8.022 10.572 1.00 0.00 C ATOM 219 CD GLN A 18 9.078 7.800 12.007 1.00 0.00 C ATOM 220 OE1 GLN A 18 10.145 8.254 12.421 1.00 0.00 O ATOM 221 NE2 GLN A 18 8.252 7.098 12.775 1.00 0.00 N ATOM 0 H GLN A 18 7.488 8.840 8.505 1.00 0.00 H new ATOM 0 HA GLN A 18 8.032 6.006 7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.445 5.899 10.388 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.695 6.594 9.376 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.288 8.769 10.111 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.630 8.426 10.562 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.378 6.741 12.390 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.492 6.916 13.750 1.00 0.00 H new ATOM 230 N HIS A 19 5.617 5.576 8.258 1.00 0.00 N ATOM 231 CA HIS A 19 4.260 5.163 8.598 1.00 0.00 C ATOM 232 C HIS A 19 4.276 4.068 9.660 1.00 0.00 C ATOM 233 O HIS A 19 4.768 2.965 9.422 1.00 0.00 O ATOM 234 CB HIS A 19 3.526 4.670 7.351 1.00 0.00 C ATOM 235 CG HIS A 19 3.586 5.629 6.202 1.00 0.00 C ATOM 236 ND1 HIS A 19 2.644 6.615 5.994 1.00 0.00 N ATOM 237 CD2 HIS A 19 4.484 5.751 5.196 1.00 0.00 C ATOM 238 CE1 HIS A 19 2.959 7.300 4.910 1.00 0.00 C ATOM 239 NE2 HIS A 19 4.072 6.796 4.407 1.00 0.00 N ATOM 0 H HIS A 19 5.975 5.176 7.391 1.00 0.00 H new ATOM 0 HA HIS A 19 3.734 6.028 9.001 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.954 3.717 7.041 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.482 4.484 7.604 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.361 5.140 5.043 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.402 8.131 4.504 1.00 0.00 H new ATOM 0 HE2 HIS A 19 4.548 7.129 3.569 1.00 0.00 H new ATOM 247 N VAL A 20 3.735 4.380 10.833 1.00 0.00 N ATOM 248 CA VAL A 20 3.686 3.422 11.932 1.00 0.00 C ATOM 249 C VAL A 20 2.368 2.656 11.935 1.00 0.00 C ATOM 250 O VAL A 20 1.304 3.231 11.711 1.00 0.00 O ATOM 251 CB VAL A 20 3.866 4.120 13.293 1.00 0.00 C ATOM 252 CG1 VAL A 20 3.879 3.098 14.420 1.00 0.00 C ATOM 253 CG2 VAL A 20 5.139 4.952 13.301 1.00 0.00 C ATOM 0 H VAL A 20 3.324 5.289 11.047 1.00 0.00 H new ATOM 0 HA VAL A 20 4.508 2.723 11.780 1.00 0.00 H new ATOM 0 HB VAL A 20 3.021 4.790 13.453 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.007 3.610 15.374 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.936 2.551 14.426 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.703 2.400 14.269 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.250 5.438 14.270 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.997 4.305 13.119 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.083 5.710 12.520 1.00 0.00 H new ATOM 263 N GLY A 21 2.447 1.354 12.193 1.00 0.00 N ATOM 264 CA GLY A 21 1.253 0.530 12.222 1.00 0.00 C ATOM 265 C GLY A 21 1.032 -0.215 10.920 1.00 0.00 C ATOM 266 O GLY A 21 0.507 -1.329 10.916 1.00 0.00 O ATOM 0 H GLY A 21 3.316 0.855 12.382 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.330 -0.187 13.039 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.387 1.158 12.430 1.00 0.00 H new ATOM 270 N PHE A 22 1.430 0.401 9.812 1.00 0.00 N ATOM 271 CA PHE A 22 1.270 -0.210 8.498 1.00 0.00 C ATOM 272 C PHE A 22 2.494 -1.045 8.134 1.00 0.00 C ATOM 273 O PHE A 22 3.624 -0.558 8.164 1.00 0.00 O ATOM 274 CB PHE A 22 1.039 0.867 7.436 1.00 0.00 C ATOM 275 CG PHE A 22 -0.049 1.839 7.795 1.00 0.00 C ATOM 276 CD1 PHE A 22 0.241 2.996 8.499 1.00 0.00 C ATOM 277 CD2 PHE A 22 -1.363 1.595 7.426 1.00 0.00 C ATOM 278 CE1 PHE A 22 -0.758 3.891 8.831 1.00 0.00 C ATOM 279 CE2 PHE A 22 -2.366 2.487 7.755 1.00 0.00 C ATOM 280 CZ PHE A 22 -2.063 3.637 8.457 1.00 0.00 C ATOM 0 H PHE A 22 1.866 1.323 9.798 1.00 0.00 H new ATOM 0 HA PHE A 22 0.401 -0.867 8.534 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.968 1.415 7.278 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.788 0.386 6.491 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.260 3.201 8.792 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.605 0.698 6.875 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.519 4.788 9.382 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.386 2.285 7.463 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.845 4.336 8.713 1.00 0.00 H new ATOM 290 N LYS A 23 2.260 -2.307 7.790 1.00 0.00 N ATOM 291 CA LYS A 23 3.342 -3.212 7.418 1.00 0.00 C ATOM 292 C LYS A 23 3.130 -3.765 6.012 1.00 0.00 C ATOM 293 O LYS A 23 2.010 -4.104 5.630 1.00 0.00 O ATOM 294 CB LYS A 23 3.437 -4.364 8.421 1.00 0.00 C ATOM 295 CG LYS A 23 4.423 -5.445 8.013 1.00 0.00 C ATOM 296 CD LYS A 23 3.968 -6.819 8.479 1.00 0.00 C ATOM 297 CE LYS A 23 5.136 -7.787 8.583 1.00 0.00 C ATOM 298 NZ LYS A 23 4.820 -8.945 9.464 1.00 0.00 N ATOM 0 H LYS A 23 1.331 -2.727 7.761 1.00 0.00 H new ATOM 0 HA LYS A 23 4.275 -2.648 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.729 -3.966 9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.450 -4.811 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.535 -5.446 6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.403 -5.223 8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.479 -6.732 9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.228 -7.214 7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.398 -8.148 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.009 -7.262 8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.641 -9.581 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.595 -8.603 10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.003 -9.461 9.080 1.00 0.00 H new ATOM 312 N CYS A 24 4.213 -3.854 5.248 1.00 0.00 N ATOM 313 CA CYS A 24 4.147 -4.366 3.884 1.00 0.00 C ATOM 314 C CYS A 24 3.698 -5.824 3.873 1.00 0.00 C ATOM 315 O CYS A 24 4.162 -6.634 4.676 1.00 0.00 O ATOM 316 CB CYS A 24 5.510 -4.235 3.201 1.00 0.00 C ATOM 317 SG CYS A 24 5.508 -4.708 1.442 1.00 0.00 S ATOM 0 H CYS A 24 5.147 -3.578 5.550 1.00 0.00 H new ATOM 0 HA CYS A 24 3.415 -3.774 3.335 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.851 -3.203 3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.232 -4.855 3.732 1.00 0.00 H new ATOM 322 N ASP A 25 2.793 -6.152 2.957 1.00 0.00 N ATOM 323 CA ASP A 25 2.282 -7.512 2.839 1.00 0.00 C ATOM 324 C ASP A 25 3.124 -8.326 1.861 1.00 0.00 C ATOM 325 O ASP A 25 3.017 -9.550 1.804 1.00 0.00 O ATOM 326 CB ASP A 25 0.822 -7.494 2.381 1.00 0.00 C ATOM 327 CG ASP A 25 -0.148 -7.436 3.545 1.00 0.00 C ATOM 328 OD1 ASP A 25 -0.401 -6.323 4.052 1.00 0.00 O ATOM 329 OD2 ASP A 25 -0.655 -8.504 3.947 1.00 0.00 O ATOM 0 H ASP A 25 2.398 -5.494 2.285 1.00 0.00 H new ATOM 0 HA ASP A 25 2.341 -7.982 3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.658 -6.634 1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.619 -8.385 1.787 1.00 0.00 H new ATOM 334 N ASN A 26 3.960 -7.636 1.091 1.00 0.00 N ATOM 335 CA ASN A 26 4.819 -8.295 0.114 1.00 0.00 C ATOM 336 C ASN A 26 6.053 -8.888 0.787 1.00 0.00 C ATOM 337 O ASN A 26 6.276 -10.098 0.743 1.00 0.00 O ATOM 338 CB ASN A 26 5.243 -7.305 -0.973 1.00 0.00 C ATOM 339 CG ASN A 26 6.167 -7.933 -1.998 1.00 0.00 C ATOM 340 OD1 ASN A 26 7.384 -8.257 -1.577 1.00 0.00 O flip ATOM 341 ND2 ASN A 26 5.791 -8.124 -3.155 1.00 0.00 N flip ATOM 0 H ASN A 26 4.061 -6.622 1.125 1.00 0.00 H new ATOM 0 HA ASN A 26 4.252 -9.106 -0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.356 -6.919 -1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.743 -6.454 -0.511 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.846 -7.859 -3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.424 -8.547 -3.834 1.00 0.00 H new ATOM 348 N CYS A 27 6.851 -8.028 1.409 1.00 0.00 N ATOM 349 CA CYS A 27 8.063 -8.464 2.092 1.00 0.00 C ATOM 350 C CYS A 27 7.837 -8.554 3.598 1.00 0.00 C ATOM 351 O CYS A 27 8.195 -9.546 4.233 1.00 0.00 O ATOM 352 CB CYS A 27 9.216 -7.503 1.795 1.00 0.00 C ATOM 353 SG CYS A 27 8.891 -5.779 2.287 1.00 0.00 S ATOM 0 H CYS A 27 6.680 -7.023 1.454 1.00 0.00 H new ATOM 0 HA CYS A 27 8.321 -9.456 1.721 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.110 -7.854 2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.432 -7.530 0.727 1.00 0.00 H new ATOM 358 N GLY A 28 7.238 -7.511 4.165 1.00 0.00 N ATOM 359 CA GLY A 28 6.973 -7.492 5.592 1.00 0.00 C ATOM 360 C GLY A 28 7.731 -6.391 6.307 1.00 0.00 C ATOM 361 O GLY A 28 7.975 -6.479 7.511 1.00 0.00 O ATOM 0 H GLY A 28 6.931 -6.679 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.904 -7.360 5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.246 -8.456 6.022 1.00 0.00 H new ATOM 365 N ILE A 29 8.106 -5.354 5.566 1.00 0.00 N ATOM 366 CA ILE A 29 8.841 -4.233 6.137 1.00 0.00 C ATOM 367 C ILE A 29 7.921 -3.332 6.955 1.00 0.00 C ATOM 368 O ILE A 29 6.928 -2.816 6.444 1.00 0.00 O ATOM 369 CB ILE A 29 9.525 -3.392 5.043 1.00 0.00 C ATOM 370 CG1 ILE A 29 10.269 -2.210 5.669 1.00 0.00 C ATOM 371 CG2 ILE A 29 8.499 -2.904 4.032 1.00 0.00 C ATOM 372 CD1 ILE A 29 11.482 -1.773 4.877 1.00 0.00 C ATOM 0 H ILE A 29 7.913 -5.267 4.568 1.00 0.00 H new ATOM 0 HA ILE A 29 9.605 -4.656 6.789 1.00 0.00 H new ATOM 0 HB ILE A 29 10.249 -4.018 4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.583 -1.368 5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.582 -2.481 6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.997 -2.311 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.010 -3.760 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.753 -2.290 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 29 11.960 -0.932 5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 29 12.187 -2.601 4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.174 -1.471 3.876 1.00 0.00 H new ATOM 384 N GLU A 30 8.261 -3.147 8.227 1.00 0.00 N ATOM 385 CA GLU A 30 7.466 -2.307 9.115 1.00 0.00 C ATOM 386 C GLU A 30 8.333 -1.706 10.217 1.00 0.00 C ATOM 387 O GLU A 30 9.192 -2.371 10.798 1.00 0.00 O ATOM 388 CB GLU A 30 6.325 -3.117 9.733 1.00 0.00 C ATOM 389 CG GLU A 30 5.637 -2.414 10.891 1.00 0.00 C ATOM 390 CD GLU A 30 5.008 -3.384 11.872 1.00 0.00 C ATOM 391 OE1 GLU A 30 4.434 -4.397 11.421 1.00 0.00 O ATOM 392 OE2 GLU A 30 5.092 -3.130 13.092 1.00 0.00 O ATOM 0 H GLU A 30 9.081 -3.567 8.665 1.00 0.00 H new ATOM 0 HA GLU A 30 7.046 -1.494 8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.587 -3.336 8.962 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.716 -4.073 10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.362 -1.792 11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.868 -1.748 10.501 1.00 0.00 H new ATOM 399 N PRO A 31 8.106 -0.418 10.513 1.00 0.00 N ATOM 400 CA PRO A 31 7.087 0.383 9.828 1.00 0.00 C ATOM 401 C PRO A 31 7.460 0.680 8.380 1.00 0.00 C ATOM 402 O PRO A 31 8.627 0.586 7.998 1.00 0.00 O ATOM 403 CB PRO A 31 7.044 1.677 10.645 1.00 0.00 C ATOM 404 CG PRO A 31 8.391 1.771 11.275 1.00 0.00 C ATOM 405 CD PRO A 31 8.826 0.356 11.538 1.00 0.00 C ATOM 0 HA PRO A 31 6.130 -0.135 9.774 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.843 2.540 10.010 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.256 1.644 11.398 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.095 2.279 10.616 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.349 2.345 12.201 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.906 0.243 11.442 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.560 0.034 12.545 1.00 0.00 H new ATOM 413 N ILE A 32 6.462 1.039 7.578 1.00 0.00 N ATOM 414 CA ILE A 32 6.687 1.351 6.172 1.00 0.00 C ATOM 415 C ILE A 32 7.126 2.801 5.994 1.00 0.00 C ATOM 416 O ILE A 32 6.404 3.727 6.362 1.00 0.00 O ATOM 417 CB ILE A 32 5.421 1.103 5.331 1.00 0.00 C ATOM 418 CG1 ILE A 32 4.991 -0.362 5.437 1.00 0.00 C ATOM 419 CG2 ILE A 32 5.666 1.486 3.879 1.00 0.00 C ATOM 420 CD1 ILE A 32 3.587 -0.617 4.936 1.00 0.00 C ATOM 0 H ILE A 32 5.491 1.121 7.878 1.00 0.00 H new ATOM 0 HA ILE A 32 7.480 0.688 5.825 1.00 0.00 H new ATOM 0 HB ILE A 32 4.616 1.727 5.719 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.688 -0.979 4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.060 -0.678 6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.762 1.305 3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.930 2.542 3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.482 0.886 3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.350 -1.676 5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.880 -0.027 5.519 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.518 -0.332 3.886 1.00 0.00 H new ATOM 432 N GLN A 33 8.313 2.988 5.427 1.00 0.00 N ATOM 433 CA GLN A 33 8.848 4.326 5.199 1.00 0.00 C ATOM 434 C GLN A 33 8.731 4.715 3.729 1.00 0.00 C ATOM 435 O GLN A 33 8.747 3.859 2.846 1.00 0.00 O ATOM 436 CB GLN A 33 10.310 4.396 5.643 1.00 0.00 C ATOM 437 CG GLN A 33 11.211 3.401 4.929 1.00 0.00 C ATOM 438 CD GLN A 33 11.201 2.033 5.581 1.00 0.00 C ATOM 439 OE1 GLN A 33 10.840 1.036 4.955 1.00 0.00 O ATOM 440 NE2 GLN A 33 11.599 1.977 6.847 1.00 0.00 N ATOM 0 H GLN A 33 8.923 2.231 5.117 1.00 0.00 H new ATOM 0 HA GLN A 33 8.262 5.030 5.790 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.686 5.404 5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.364 4.217 6.717 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.891 3.307 3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.231 3.785 4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.890 2.828 7.328 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.614 1.083 7.338 1.00 0.00 H new ATOM 449 N GLY A 34 8.612 6.015 3.474 1.00 0.00 N ATOM 450 CA GLY A 34 8.493 6.495 2.109 1.00 0.00 C ATOM 451 C GLY A 34 7.052 6.579 1.647 1.00 0.00 C ATOM 452 O GLY A 34 6.251 7.319 2.220 1.00 0.00 O ATOM 0 H GLY A 34 8.596 6.744 4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.954 7.480 2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.046 5.831 1.444 1.00 0.00 H new ATOM 456 N VAL A 35 6.720 5.821 0.607 1.00 0.00 N ATOM 457 CA VAL A 35 5.366 5.813 0.068 1.00 0.00 C ATOM 458 C VAL A 35 4.669 4.487 0.352 1.00 0.00 C ATOM 459 O VAL A 35 5.194 3.419 0.040 1.00 0.00 O ATOM 460 CB VAL A 35 5.365 6.066 -1.451 1.00 0.00 C ATOM 461 CG1 VAL A 35 3.964 5.900 -2.020 1.00 0.00 C ATOM 462 CG2 VAL A 35 5.915 7.450 -1.761 1.00 0.00 C ATOM 0 H VAL A 35 7.371 5.204 0.121 1.00 0.00 H new ATOM 0 HA VAL A 35 4.824 6.618 0.563 1.00 0.00 H new ATOM 0 HB VAL A 35 6.013 5.328 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.984 6.083 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.612 4.886 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.291 6.612 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.907 7.612 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.296 8.205 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.937 7.527 -1.390 1.00 0.00 H new ATOM 472 N ARG A 36 3.482 4.564 0.946 1.00 0.00 N ATOM 473 CA ARG A 36 2.713 3.370 1.273 1.00 0.00 C ATOM 474 C ARG A 36 1.659 3.093 0.205 1.00 0.00 C ATOM 475 O ARG A 36 0.627 3.762 0.149 1.00 0.00 O ATOM 476 CB ARG A 36 2.041 3.529 2.638 1.00 0.00 C ATOM 477 CG ARG A 36 1.028 2.439 2.949 1.00 0.00 C ATOM 478 CD ARG A 36 0.791 2.308 4.445 1.00 0.00 C ATOM 479 NE ARG A 36 0.295 3.551 5.031 1.00 0.00 N ATOM 480 CZ ARG A 36 -0.980 3.922 4.996 1.00 0.00 C ATOM 481 NH1 ARG A 36 -1.883 3.151 4.405 1.00 0.00 N ATOM 482 NH2 ARG A 36 -1.354 5.068 5.552 1.00 0.00 N ATOM 0 H ARG A 36 3.033 5.441 1.210 1.00 0.00 H new ATOM 0 HA ARG A 36 3.400 2.524 1.309 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.808 3.532 3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.543 4.498 2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.086 2.663 2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.382 1.488 2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.074 1.508 4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.721 2.022 4.936 1.00 0.00 H new ATOM 0 HE ARG A 36 0.964 4.167 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.599 2.270 3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.861 3.439 4.380 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.662 5.664 6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.333 5.352 5.525 1.00 0.00 H new ATOM 496 N TRP A 37 1.927 2.104 -0.640 1.00 0.00 N ATOM 497 CA TRP A 37 1.002 1.739 -1.707 1.00 0.00 C ATOM 498 C TRP A 37 -0.215 1.010 -1.147 1.00 0.00 C ATOM 499 O TRP A 37 -0.160 -0.190 -0.876 1.00 0.00 O ATOM 500 CB TRP A 37 1.706 0.861 -2.743 1.00 0.00 C ATOM 501 CG TRP A 37 2.687 1.613 -3.591 1.00 0.00 C ATOM 502 CD1 TRP A 37 4.019 1.785 -3.346 1.00 0.00 C ATOM 503 CD2 TRP A 37 2.411 2.296 -4.819 1.00 0.00 C ATOM 504 NE1 TRP A 37 4.588 2.534 -4.348 1.00 0.00 N ATOM 505 CE2 TRP A 37 3.623 2.859 -5.264 1.00 0.00 C ATOM 506 CE3 TRP A 37 1.258 2.485 -5.586 1.00 0.00 C ATOM 507 CZ2 TRP A 37 3.712 3.598 -6.441 1.00 0.00 C ATOM 508 CZ3 TRP A 37 1.349 3.219 -6.754 1.00 0.00 C ATOM 509 CH2 TRP A 37 2.568 3.767 -7.172 1.00 0.00 C ATOM 0 H TRP A 37 2.777 1.541 -0.607 1.00 0.00 H new ATOM 0 HA TRP A 37 0.663 2.656 -2.189 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.226 0.052 -2.230 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.957 0.401 -3.388 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.548 1.391 -2.491 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.570 2.804 -4.401 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.314 2.065 -5.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.651 4.023 -6.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.465 3.372 -7.355 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.606 4.335 -8.090 1.00 0.00 H new ATOM 520 N HIS A 38 -1.311 1.742 -0.977 1.00 0.00 N ATOM 521 CA HIS A 38 -2.542 1.163 -0.450 1.00 0.00 C ATOM 522 C HIS A 38 -3.468 0.731 -1.582 1.00 0.00 C ATOM 523 O HIS A 38 -3.855 1.541 -2.425 1.00 0.00 O ATOM 524 CB HIS A 38 -3.257 2.168 0.454 1.00 0.00 C ATOM 525 CG HIS A 38 -4.744 1.992 0.487 1.00 0.00 C ATOM 526 ND1 HIS A 38 -5.371 1.026 1.245 1.00 0.00 N ATOM 527 CD2 HIS A 38 -5.729 2.667 -0.149 1.00 0.00 C ATOM 528 CE1 HIS A 38 -6.677 1.113 1.072 1.00 0.00 C ATOM 529 NE2 HIS A 38 -6.921 2.102 0.231 1.00 0.00 N ATOM 0 H HIS A 38 -1.372 2.736 -1.196 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.278 0.282 0.135 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.866 2.075 1.467 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.026 3.178 0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.601 3.496 -0.829 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.420 0.483 1.539 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.845 2.398 -0.085 1.00 0.00 H new ATOM 537 N CYS A 39 -3.819 -0.550 -1.597 1.00 0.00 N ATOM 538 CA CYS A 39 -4.699 -1.091 -2.626 1.00 0.00 C ATOM 539 C CYS A 39 -6.007 -0.307 -2.691 1.00 0.00 C ATOM 540 O CYS A 39 -6.511 0.161 -1.671 1.00 0.00 O ATOM 541 CB CYS A 39 -4.990 -2.568 -2.354 1.00 0.00 C ATOM 542 SG CYS A 39 -5.865 -3.416 -3.708 1.00 0.00 S ATOM 0 H CYS A 39 -3.507 -1.234 -0.907 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.192 -0.999 -3.587 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.049 -3.084 -2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.586 -2.648 -1.445 1.00 0.00 H new ATOM 547 N GLN A 40 -6.549 -0.170 -3.897 1.00 0.00 N ATOM 548 CA GLN A 40 -7.798 0.556 -4.094 1.00 0.00 C ATOM 549 C GLN A 40 -8.972 -0.406 -4.234 1.00 0.00 C ATOM 550 O GLN A 40 -10.052 -0.166 -3.695 1.00 0.00 O ATOM 551 CB GLN A 40 -7.703 1.447 -5.334 1.00 0.00 C ATOM 552 CG GLN A 40 -6.385 2.196 -5.446 1.00 0.00 C ATOM 553 CD GLN A 40 -6.377 3.197 -6.585 1.00 0.00 C ATOM 554 OE1 GLN A 40 -6.743 2.872 -7.715 1.00 0.00 O ATOM 555 NE2 GLN A 40 -5.958 4.423 -6.293 1.00 0.00 N ATOM 0 H GLN A 40 -6.143 -0.552 -4.751 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.968 1.181 -3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.839 0.832 -6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.521 2.168 -5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.186 2.716 -4.509 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.576 1.480 -5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.664 4.649 -5.343 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.930 5.139 -7.019 1.00 0.00 H new ATOM 564 N ASP A 41 -8.753 -1.497 -4.961 1.00 0.00 N ATOM 565 CA ASP A 41 -9.793 -2.497 -5.171 1.00 0.00 C ATOM 566 C ASP A 41 -10.223 -3.121 -3.847 1.00 0.00 C ATOM 567 O ASP A 41 -11.403 -3.107 -3.496 1.00 0.00 O ATOM 568 CB ASP A 41 -9.299 -3.585 -6.125 1.00 0.00 C ATOM 569 CG ASP A 41 -10.401 -4.545 -6.530 1.00 0.00 C ATOM 570 OD1 ASP A 41 -11.341 -4.740 -5.731 1.00 0.00 O ATOM 571 OD2 ASP A 41 -10.323 -5.100 -7.645 1.00 0.00 O ATOM 0 H ASP A 41 -7.865 -1.711 -5.414 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.656 -2.000 -5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.881 -3.119 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -8.492 -4.143 -5.649 1.00 0.00 H new ATOM 576 N CYS A 42 -9.258 -3.668 -3.116 1.00 0.00 N ATOM 577 CA CYS A 42 -9.535 -4.299 -1.831 1.00 0.00 C ATOM 578 C CYS A 42 -10.482 -3.441 -0.997 1.00 0.00 C ATOM 579 O CYS A 42 -10.532 -2.218 -1.130 1.00 0.00 O ATOM 580 CB CYS A 42 -8.233 -4.534 -1.063 1.00 0.00 C ATOM 581 SG CYS A 42 -7.313 -6.014 -1.595 1.00 0.00 S ATOM 0 H CYS A 42 -8.276 -3.687 -3.392 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.015 -5.259 -2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.592 -3.660 -1.179 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.461 -4.623 -0.001 1.00 0.00 H new ATOM 586 N PRO A 43 -11.252 -4.096 -0.115 1.00 0.00 N ATOM 587 CA PRO A 43 -12.211 -3.413 0.758 1.00 0.00 C ATOM 588 C PRO A 43 -11.524 -2.576 1.832 1.00 0.00 C ATOM 589 O PRO A 43 -10.322 -2.696 2.072 1.00 0.00 O ATOM 590 CB PRO A 43 -12.992 -4.565 1.397 1.00 0.00 C ATOM 591 CG PRO A 43 -12.060 -5.726 1.350 1.00 0.00 C ATOM 592 CD PRO A 43 -11.245 -5.553 0.097 1.00 0.00 C ATOM 0 HA PRO A 43 -12.835 -2.710 0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.279 -4.329 2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -13.911 -4.772 0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.420 -5.748 2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.610 -6.667 1.331 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.232 -5.936 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.687 -6.084 -0.746 1.00 0.00 H new ATOM 600 N PRO A 44 -12.302 -1.708 2.495 1.00 0.00 N ATOM 601 CA PRO A 44 -11.789 -0.834 3.555 1.00 0.00 C ATOM 602 C PRO A 44 -11.413 -1.609 4.813 1.00 0.00 C ATOM 603 O PRO A 44 -10.873 -1.043 5.763 1.00 0.00 O ATOM 604 CB PRO A 44 -12.962 0.108 3.837 1.00 0.00 C ATOM 605 CG PRO A 44 -14.171 -0.658 3.423 1.00 0.00 C ATOM 606 CD PRO A 44 -13.743 -1.512 2.261 1.00 0.00 C ATOM 0 HA PRO A 44 -10.876 -0.321 3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.007 0.379 4.892 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.869 1.036 3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.543 -1.273 4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.980 0.014 3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.280 -2.461 2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.932 -1.018 1.308 1.00 0.00 H new ATOM 614 N GLU A 45 -11.702 -2.907 4.812 1.00 0.00 N ATOM 615 CA GLU A 45 -11.394 -3.758 5.955 1.00 0.00 C ATOM 616 C GLU A 45 -10.186 -4.644 5.664 1.00 0.00 C ATOM 617 O GLU A 45 -9.409 -4.966 6.561 1.00 0.00 O ATOM 618 CB GLU A 45 -12.602 -4.626 6.313 1.00 0.00 C ATOM 619 CG GLU A 45 -13.034 -5.560 5.196 1.00 0.00 C ATOM 620 CD GLU A 45 -12.298 -6.886 5.227 1.00 0.00 C ATOM 621 OE1 GLU A 45 -11.404 -7.047 6.084 1.00 0.00 O ATOM 622 OE2 GLU A 45 -12.616 -7.761 4.394 1.00 0.00 O ATOM 0 H GLU A 45 -12.148 -3.391 4.033 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.155 -3.114 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.364 -5.217 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.438 -3.979 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.106 -5.742 5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.862 -5.075 4.235 1.00 0.00 H new ATOM 629 N MET A 46 -10.037 -5.035 4.402 1.00 0.00 N ATOM 630 CA MET A 46 -8.925 -5.884 3.992 1.00 0.00 C ATOM 631 C MET A 46 -7.915 -5.094 3.165 1.00 0.00 C ATOM 632 O MET A 46 -7.203 -5.657 2.333 1.00 0.00 O ATOM 633 CB MET A 46 -9.437 -7.079 3.186 1.00 0.00 C ATOM 634 CG MET A 46 -8.423 -8.205 3.058 1.00 0.00 C ATOM 635 SD MET A 46 -8.388 -9.276 4.508 1.00 0.00 S ATOM 636 CE MET A 46 -7.444 -10.663 3.882 1.00 0.00 C ATOM 0 H MET A 46 -10.672 -4.777 3.647 1.00 0.00 H new ATOM 0 HA MET A 46 -8.428 -6.248 4.891 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.340 -7.466 3.659 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.719 -6.740 2.189 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.657 -8.801 2.176 1.00 0.00 H new ATOM 0 HG3 MET A 46 -7.432 -7.780 2.901 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.336 -11.413 4.666 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.963 -11.101 3.029 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.458 -10.320 3.570 1.00 0.00 H new ATOM 646 N SER A 47 -7.858 -3.787 3.400 1.00 0.00 N ATOM 647 CA SER A 47 -6.938 -2.919 2.673 1.00 0.00 C ATOM 648 C SER A 47 -5.497 -3.387 2.850 1.00 0.00 C ATOM 649 O SER A 47 -5.062 -3.693 3.961 1.00 0.00 O ATOM 650 CB SER A 47 -7.080 -1.474 3.155 1.00 0.00 C ATOM 651 OG SER A 47 -6.803 -1.368 4.540 1.00 0.00 O ATOM 0 H SER A 47 -8.438 -3.306 4.088 1.00 0.00 H new ATOM 0 HA SER A 47 -7.190 -2.968 1.614 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.400 -0.832 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.091 -1.119 2.955 1.00 0.00 H new ATOM 0 HG SER A 47 -6.899 -0.434 4.822 1.00 0.00 H new ATOM 657 N LEU A 48 -4.759 -3.440 1.746 1.00 0.00 N ATOM 658 CA LEU A 48 -3.366 -3.870 1.776 1.00 0.00 C ATOM 659 C LEU A 48 -2.425 -2.677 1.647 1.00 0.00 C ATOM 660 O LEU A 48 -2.839 -1.587 1.252 1.00 0.00 O ATOM 661 CB LEU A 48 -3.096 -4.871 0.652 1.00 0.00 C ATOM 662 CG LEU A 48 -3.588 -6.299 0.893 1.00 0.00 C ATOM 663 CD1 LEU A 48 -3.070 -7.232 -0.191 1.00 0.00 C ATOM 664 CD2 LEU A 48 -3.157 -6.787 2.268 1.00 0.00 C ATOM 0 H LEU A 48 -5.103 -3.190 0.819 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.181 -4.353 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.561 -4.497 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.021 -4.904 0.472 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.677 -6.298 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.430 -8.243 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.428 -6.894 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.980 -7.228 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.516 -7.805 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.069 -6.772 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.577 -6.135 3.034 1.00 0.00 H new ATOM 676 N ASP A 49 -1.157 -2.892 1.980 1.00 0.00 N ATOM 677 CA ASP A 49 -0.155 -1.835 1.898 1.00 0.00 C ATOM 678 C ASP A 49 1.184 -2.391 1.423 1.00 0.00 C ATOM 679 O ASP A 49 1.709 -3.346 1.996 1.00 0.00 O ATOM 680 CB ASP A 49 0.014 -1.156 3.258 1.00 0.00 C ATOM 681 CG ASP A 49 -1.294 -1.046 4.016 1.00 0.00 C ATOM 682 OD1 ASP A 49 -2.290 -0.590 3.418 1.00 0.00 O ATOM 683 OD2 ASP A 49 -1.322 -1.415 5.209 1.00 0.00 O ATOM 0 H ASP A 49 -0.798 -3.788 2.309 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.499 -1.097 1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.731 -1.719 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.432 -0.160 3.114 1.00 0.00 H new ATOM 688 N PHE A 50 1.730 -1.788 0.373 1.00 0.00 N ATOM 689 CA PHE A 50 3.007 -2.224 -0.181 1.00 0.00 C ATOM 690 C PHE A 50 4.023 -1.086 -0.166 1.00 0.00 C ATOM 691 O PHE A 50 3.713 0.044 -0.545 1.00 0.00 O ATOM 692 CB PHE A 50 2.819 -2.736 -1.610 1.00 0.00 C ATOM 693 CG PHE A 50 1.738 -3.770 -1.739 1.00 0.00 C ATOM 694 CD1 PHE A 50 0.421 -3.393 -1.948 1.00 0.00 C ATOM 695 CD2 PHE A 50 2.037 -5.120 -1.650 1.00 0.00 C ATOM 696 CE1 PHE A 50 -0.577 -4.342 -2.068 1.00 0.00 C ATOM 697 CE2 PHE A 50 1.044 -6.074 -1.769 1.00 0.00 C ATOM 698 CZ PHE A 50 -0.265 -5.684 -1.977 1.00 0.00 C ATOM 0 H PHE A 50 1.308 -0.996 -0.112 1.00 0.00 H new ATOM 0 HA PHE A 50 3.387 -3.035 0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.585 -1.894 -2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.760 -3.159 -1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.171 -2.345 -2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.058 -5.431 -1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.599 -4.034 -2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.291 -7.123 -1.699 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.043 -6.428 -2.068 1.00 0.00 H new ATOM 708 N CYS A 51 5.239 -1.392 0.275 1.00 0.00 N ATOM 709 CA CYS A 51 6.302 -0.396 0.341 1.00 0.00 C ATOM 710 C CYS A 51 6.831 -0.072 -1.053 1.00 0.00 C ATOM 711 O CYS A 51 6.884 -0.939 -1.926 1.00 0.00 O ATOM 712 CB CYS A 51 7.444 -0.897 1.227 1.00 0.00 C ATOM 713 SG CYS A 51 8.293 -2.374 0.583 1.00 0.00 S ATOM 0 H CYS A 51 5.513 -2.322 0.592 1.00 0.00 H new ATOM 0 HA CYS A 51 5.887 0.514 0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.173 -0.096 1.348 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.049 -1.121 2.218 1.00 0.00 H new ATOM 718 N ASP A 52 7.220 1.182 -1.255 1.00 0.00 N ATOM 719 CA ASP A 52 7.746 1.622 -2.542 1.00 0.00 C ATOM 720 C ASP A 52 8.564 0.516 -3.201 1.00 0.00 C ATOM 721 O ASP A 52 8.551 0.364 -4.423 1.00 0.00 O ATOM 722 CB ASP A 52 8.608 2.873 -2.365 1.00 0.00 C ATOM 723 CG ASP A 52 9.666 3.005 -3.442 1.00 0.00 C ATOM 724 OD1 ASP A 52 9.337 3.503 -4.539 1.00 0.00 O ATOM 725 OD2 ASP A 52 10.823 2.610 -3.189 1.00 0.00 O ATOM 0 H ASP A 52 7.181 1.912 -0.544 1.00 0.00 H new ATOM 0 HA ASP A 52 6.902 1.861 -3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.969 3.756 -2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.090 2.843 -1.388 1.00 0.00 H new ATOM 730 N SER A 53 9.277 -0.254 -2.385 1.00 0.00 N ATOM 731 CA SER A 53 10.105 -1.343 -2.889 1.00 0.00 C ATOM 732 C SER A 53 9.245 -2.422 -3.541 1.00 0.00 C ATOM 733 O SER A 53 9.548 -2.895 -4.637 1.00 0.00 O ATOM 734 CB SER A 53 10.931 -1.951 -1.754 1.00 0.00 C ATOM 735 OG SER A 53 12.189 -1.308 -1.638 1.00 0.00 O ATOM 0 H SER A 53 9.298 -0.143 -1.371 1.00 0.00 H new ATOM 0 HA SER A 53 10.779 -0.935 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.385 -1.862 -0.815 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.078 -3.015 -1.937 1.00 0.00 H new ATOM 0 HG SER A 53 12.697 -1.713 -0.905 1.00 0.00 H new ATOM 741 N CYS A 54 8.171 -2.806 -2.860 1.00 0.00 N ATOM 742 CA CYS A 54 7.266 -3.829 -3.370 1.00 0.00 C ATOM 743 C CYS A 54 6.096 -3.196 -4.117 1.00 0.00 C ATOM 744 O CYS A 54 5.031 -3.800 -4.249 1.00 0.00 O ATOM 745 CB CYS A 54 6.745 -4.697 -2.224 1.00 0.00 C ATOM 746 SG CYS A 54 8.054 -5.513 -1.254 1.00 0.00 S ATOM 0 H CYS A 54 7.906 -2.424 -1.952 1.00 0.00 H new ATOM 0 HA CYS A 54 7.822 -4.456 -4.067 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.146 -4.077 -1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.082 -5.459 -2.632 1.00 0.00 H new ATOM 751 N SER A 55 6.301 -1.976 -4.602 1.00 0.00 N ATOM 752 CA SER A 55 5.262 -1.259 -5.332 1.00 0.00 C ATOM 753 C SER A 55 5.026 -1.889 -6.702 1.00 0.00 C ATOM 754 O SER A 55 3.894 -1.952 -7.182 1.00 0.00 O ATOM 755 CB SER A 55 5.646 0.213 -5.495 1.00 0.00 C ATOM 756 OG SER A 55 6.708 0.363 -6.422 1.00 0.00 O ATOM 0 H SER A 55 7.177 -1.463 -4.503 1.00 0.00 H new ATOM 0 HA SER A 55 4.338 -1.325 -4.757 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.780 0.783 -5.833 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.941 0.624 -4.530 1.00 0.00 H new ATOM 0 HG SER A 55 7.561 0.397 -5.940 1.00 0.00 H new ATOM 762 N ASP A 56 6.103 -2.354 -7.325 1.00 0.00 N ATOM 763 CA ASP A 56 6.016 -2.981 -8.638 1.00 0.00 C ATOM 764 C ASP A 56 5.883 -4.495 -8.510 1.00 0.00 C ATOM 765 O ASP A 56 6.069 -5.229 -9.482 1.00 0.00 O ATOM 766 CB ASP A 56 7.247 -2.634 -9.476 1.00 0.00 C ATOM 767 CG ASP A 56 8.534 -3.131 -8.848 1.00 0.00 C ATOM 768 OD1 ASP A 56 8.905 -4.297 -9.098 1.00 0.00 O ATOM 769 OD2 ASP A 56 9.171 -2.354 -8.106 1.00 0.00 O ATOM 0 H ASP A 56 7.047 -2.308 -6.941 1.00 0.00 H new ATOM 0 HA ASP A 56 5.126 -2.597 -9.138 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.140 -3.068 -10.470 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.303 -1.553 -9.604 1.00 0.00 H new ATOM 774 N CYS A 57 5.562 -4.956 -7.307 1.00 0.00 N ATOM 775 CA CYS A 57 5.406 -6.384 -7.051 1.00 0.00 C ATOM 776 C CYS A 57 3.962 -6.821 -7.270 1.00 0.00 C ATOM 777 O CYS A 57 3.039 -6.007 -7.210 1.00 0.00 O ATOM 778 CB CYS A 57 5.842 -6.717 -5.623 1.00 0.00 C ATOM 779 SG CYS A 57 7.631 -6.874 -5.414 1.00 0.00 S ATOM 0 H CYS A 57 5.404 -4.362 -6.493 1.00 0.00 H new ATOM 0 HA CYS A 57 6.040 -6.926 -7.753 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.476 -5.940 -4.952 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.368 -7.650 -5.318 1.00 0.00 H new ATOM 0 HG CYS A 57 7.903 -7.112 -4.165 1.00 0.00 H new ATOM 785 N LEU A 58 3.773 -8.111 -7.527 1.00 0.00 N ATOM 786 CA LEU A 58 2.440 -8.657 -7.758 1.00 0.00 C ATOM 787 C LEU A 58 2.084 -9.692 -6.696 1.00 0.00 C ATOM 788 O LEU A 58 2.754 -10.718 -6.564 1.00 0.00 O ATOM 789 CB LEU A 58 2.360 -9.289 -9.149 1.00 0.00 C ATOM 790 CG LEU A 58 0.990 -9.250 -9.826 1.00 0.00 C ATOM 791 CD1 LEU A 58 0.562 -7.813 -10.082 1.00 0.00 C ATOM 792 CD2 LEU A 58 1.015 -10.040 -11.126 1.00 0.00 C ATOM 0 H LEU A 58 4.525 -8.798 -7.581 1.00 0.00 H new ATOM 0 HA LEU A 58 1.723 -7.838 -7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.078 -8.785 -9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.676 -10.329 -9.072 1.00 0.00 H new ATOM 0 HG LEU A 58 0.263 -9.711 -9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.415 -7.805 -10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.504 -7.277 -9.135 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.291 -7.326 -10.730 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.031 -10.001 -11.594 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.755 -9.608 -11.800 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.277 -11.077 -10.916 1.00 0.00 H new ATOM 804 N HIS A 59 1.025 -9.418 -5.941 1.00 0.00 N ATOM 805 CA HIS A 59 0.578 -10.328 -4.891 1.00 0.00 C ATOM 806 C HIS A 59 -0.909 -10.636 -5.036 1.00 0.00 C ATOM 807 O HIS A 59 -1.723 -9.733 -5.226 1.00 0.00 O ATOM 808 CB HIS A 59 0.854 -9.725 -3.514 1.00 0.00 C ATOM 809 CG HIS A 59 0.960 -10.746 -2.423 1.00 0.00 C ATOM 810 ND1 HIS A 59 2.015 -11.628 -2.317 1.00 0.00 N ATOM 811 CD2 HIS A 59 0.135 -11.023 -1.386 1.00 0.00 C ATOM 812 CE1 HIS A 59 1.834 -12.403 -1.263 1.00 0.00 C ATOM 813 NE2 HIS A 59 0.700 -12.056 -0.681 1.00 0.00 N ATOM 0 H HIS A 59 0.460 -8.574 -6.036 1.00 0.00 H new ATOM 0 HA HIS A 59 1.135 -11.260 -4.990 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.781 -9.153 -3.556 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.057 -9.023 -3.267 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.795 -10.524 -1.156 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.500 -13.187 -0.933 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.308 -12.486 0.157 1.00 0.00 H new ATOM 821 N GLU A 60 -1.255 -11.916 -4.947 1.00 0.00 N ATOM 822 CA GLU A 60 -2.644 -12.342 -5.070 1.00 0.00 C ATOM 823 C GLU A 60 -3.075 -13.151 -3.850 1.00 0.00 C ATOM 824 O GLU A 60 -2.515 -14.209 -3.562 1.00 0.00 O ATOM 825 CB GLU A 60 -2.835 -13.174 -6.341 1.00 0.00 C ATOM 826 CG GLU A 60 -2.862 -12.344 -7.613 1.00 0.00 C ATOM 827 CD GLU A 60 -3.729 -12.960 -8.693 1.00 0.00 C ATOM 828 OE1 GLU A 60 -3.302 -13.969 -9.293 1.00 0.00 O ATOM 829 OE2 GLU A 60 -4.835 -12.434 -8.939 1.00 0.00 O ATOM 0 H GLU A 60 -0.593 -12.676 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.267 -11.450 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.029 -13.905 -6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.767 -13.733 -6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.231 -11.345 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.845 -12.230 -7.989 1.00 0.00 H new ATOM 836 N THR A 61 -4.075 -12.645 -3.135 1.00 0.00 N ATOM 837 CA THR A 61 -4.581 -13.318 -1.945 1.00 0.00 C ATOM 838 C THR A 61 -6.063 -13.644 -2.087 1.00 0.00 C ATOM 839 O THR A 61 -6.658 -13.428 -3.143 1.00 0.00 O ATOM 840 CB THR A 61 -4.374 -12.459 -0.684 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.298 -11.364 -0.679 1.00 0.00 O ATOM 842 CG2 THR A 61 -2.950 -11.927 -0.618 1.00 0.00 C ATOM 0 H THR A 61 -4.551 -11.771 -3.359 1.00 0.00 H new ATOM 0 HA THR A 61 -4.016 -14.245 -1.841 1.00 0.00 H new ATOM 0 HB THR A 61 -4.551 -13.088 0.189 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.161 -10.824 0.127 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.828 -11.323 0.281 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.250 -12.762 -0.592 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.750 -11.314 -1.496 1.00 0.00 H new ATOM 850 N ASP A 62 -6.654 -14.165 -1.017 1.00 0.00 N ATOM 851 CA ASP A 62 -8.069 -14.520 -1.022 1.00 0.00 C ATOM 852 C ASP A 62 -8.906 -13.407 -1.646 1.00 0.00 C ATOM 853 O ASP A 62 -9.809 -13.669 -2.441 1.00 0.00 O ATOM 854 CB ASP A 62 -8.551 -14.800 0.402 1.00 0.00 C ATOM 855 CG ASP A 62 -8.026 -16.116 0.942 1.00 0.00 C ATOM 856 OD1 ASP A 62 -8.069 -17.121 0.202 1.00 0.00 O ATOM 857 OD2 ASP A 62 -7.571 -16.141 2.105 1.00 0.00 O ATOM 0 H ASP A 62 -6.176 -14.351 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.190 -15.422 -1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.232 -13.989 1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.641 -14.813 0.418 1.00 0.00 H new ATOM 862 N ILE A 63 -8.601 -12.167 -1.279 1.00 0.00 N ATOM 863 CA ILE A 63 -9.325 -11.016 -1.802 1.00 0.00 C ATOM 864 C ILE A 63 -8.475 -10.240 -2.802 1.00 0.00 C ATOM 865 O ILE A 63 -8.904 -9.975 -3.926 1.00 0.00 O ATOM 866 CB ILE A 63 -9.765 -10.066 -0.673 1.00 0.00 C ATOM 867 CG1 ILE A 63 -10.594 -10.824 0.366 1.00 0.00 C ATOM 868 CG2 ILE A 63 -10.557 -8.898 -1.241 1.00 0.00 C ATOM 869 CD1 ILE A 63 -11.164 -9.934 1.449 1.00 0.00 C ATOM 0 H ILE A 63 -7.857 -11.934 -0.621 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.211 -11.403 -2.305 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.875 -9.671 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -11.412 -11.338 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.971 -11.591 0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.861 -8.236 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.936 -8.346 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.443 -9.274 -1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.740 -10.538 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.350 -9.439 1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.813 -9.183 0.999 1.00 0.00 H new ATOM 881 N HIS A 64 -7.265 -9.878 -2.387 1.00 0.00 N ATOM 882 CA HIS A 64 -6.352 -9.134 -3.247 1.00 0.00 C ATOM 883 C HIS A 64 -6.041 -9.919 -4.518 1.00 0.00 C ATOM 884 O HIS A 64 -6.019 -11.150 -4.510 1.00 0.00 O ATOM 885 CB HIS A 64 -5.056 -8.818 -2.499 1.00 0.00 C ATOM 886 CG HIS A 64 -4.154 -7.875 -3.235 1.00 0.00 C ATOM 887 ND1 HIS A 64 -4.583 -6.669 -3.747 1.00 0.00 N ATOM 888 CD2 HIS A 64 -2.839 -7.967 -3.542 1.00 0.00 C ATOM 889 CE1 HIS A 64 -3.571 -6.060 -4.339 1.00 0.00 C ATOM 890 NE2 HIS A 64 -2.501 -6.827 -4.229 1.00 0.00 N ATOM 0 H HIS A 64 -6.894 -10.088 -1.460 1.00 0.00 H new ATOM 0 HA HIS A 64 -6.838 -8.199 -3.528 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.302 -8.389 -1.528 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.519 -9.748 -2.310 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.179 -8.785 -3.293 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.612 -5.099 -4.829 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -1.574 -6.608 -4.595 1.00 0.00 H new ATOM 898 N LYS A 65 -5.801 -9.200 -5.608 1.00 0.00 N ATOM 899 CA LYS A 65 -5.490 -9.828 -6.887 1.00 0.00 C ATOM 900 C LYS A 65 -4.518 -8.971 -7.692 1.00 0.00 C ATOM 901 O LYS A 65 -4.140 -7.880 -7.267 1.00 0.00 O ATOM 902 CB LYS A 65 -6.772 -10.056 -7.691 1.00 0.00 C ATOM 903 CG LYS A 65 -7.775 -10.958 -6.992 1.00 0.00 C ATOM 904 CD LYS A 65 -7.302 -12.401 -6.963 1.00 0.00 C ATOM 905 CE LYS A 65 -8.183 -13.258 -6.067 1.00 0.00 C ATOM 906 NZ LYS A 65 -8.236 -14.673 -6.530 1.00 0.00 N ATOM 0 H LYS A 65 -5.816 -8.180 -5.632 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.018 -10.790 -6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.241 -9.093 -7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.513 -10.493 -8.656 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.934 -10.606 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.736 -10.899 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.306 -12.807 -7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.272 -12.440 -6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.804 -13.224 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.191 -12.845 -6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.846 -15.224 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.621 -14.708 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.277 -15.076 -6.525 1.00 0.00 H new ATOM 920 N GLU A 66 -4.120 -9.472 -8.858 1.00 0.00 N ATOM 921 CA GLU A 66 -3.193 -8.751 -9.722 1.00 0.00 C ATOM 922 C GLU A 66 -3.883 -7.565 -10.390 1.00 0.00 C ATOM 923 O GLU A 66 -3.289 -6.499 -10.552 1.00 0.00 O ATOM 924 CB GLU A 66 -2.620 -9.688 -10.787 1.00 0.00 C ATOM 925 CG GLU A 66 -3.678 -10.310 -11.682 1.00 0.00 C ATOM 926 CD GLU A 66 -3.132 -11.444 -12.529 1.00 0.00 C ATOM 927 OE1 GLU A 66 -2.166 -11.207 -13.284 1.00 0.00 O ATOM 928 OE2 GLU A 66 -3.670 -12.567 -12.437 1.00 0.00 O ATOM 0 H GLU A 66 -4.425 -10.373 -9.225 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.378 -8.374 -9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.914 -9.134 -11.405 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.059 -10.483 -10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.496 -10.683 -11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.094 -9.542 -12.334 1.00 0.00 H new ATOM 935 N ASP A 67 -5.139 -7.759 -10.775 1.00 0.00 N ATOM 936 CA ASP A 67 -5.911 -6.706 -11.426 1.00 0.00 C ATOM 937 C ASP A 67 -6.095 -5.513 -10.493 1.00 0.00 C ATOM 938 O ASP A 67 -6.136 -4.365 -10.938 1.00 0.00 O ATOM 939 CB ASP A 67 -7.275 -7.241 -11.865 1.00 0.00 C ATOM 940 CG ASP A 67 -7.173 -8.586 -12.557 1.00 0.00 C ATOM 941 OD1 ASP A 67 -6.408 -8.693 -13.538 1.00 0.00 O ATOM 942 OD2 ASP A 67 -7.859 -9.533 -12.117 1.00 0.00 O ATOM 0 H ASP A 67 -5.645 -8.636 -10.648 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.359 -6.375 -12.306 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.924 -7.332 -10.994 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.744 -6.524 -12.538 1.00 0.00 H new ATOM 947 N HIS A 68 -6.206 -5.791 -9.198 1.00 0.00 N ATOM 948 CA HIS A 68 -6.386 -4.740 -8.203 1.00 0.00 C ATOM 949 C HIS A 68 -5.388 -3.608 -8.422 1.00 0.00 C ATOM 950 O HIS A 68 -4.287 -3.828 -8.926 1.00 0.00 O ATOM 951 CB HIS A 68 -6.228 -5.311 -6.793 1.00 0.00 C ATOM 952 CG HIS A 68 -7.380 -6.164 -6.360 1.00 0.00 C ATOM 953 ND1 HIS A 68 -7.803 -6.247 -5.050 1.00 0.00 N ATOM 954 CD2 HIS A 68 -8.200 -6.973 -7.071 1.00 0.00 C ATOM 955 CE1 HIS A 68 -8.833 -7.072 -4.974 1.00 0.00 C ATOM 956 NE2 HIS A 68 -9.094 -7.525 -6.187 1.00 0.00 N ATOM 0 H HIS A 68 -6.174 -6.735 -8.813 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.393 -4.338 -8.313 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.313 -5.901 -6.749 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.110 -4.488 -6.088 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.159 -7.151 -8.135 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.370 -7.331 -4.073 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.839 -8.179 -6.428 1.00 0.00 H new ATOM 964 N GLN A 69 -5.780 -2.397 -8.039 1.00 0.00 N ATOM 965 CA GLN A 69 -4.919 -1.231 -8.195 1.00 0.00 C ATOM 966 C GLN A 69 -4.284 -0.841 -6.865 1.00 0.00 C ATOM 967 O GLN A 69 -4.715 -1.293 -5.803 1.00 0.00 O ATOM 968 CB GLN A 69 -5.717 -0.053 -8.758 1.00 0.00 C ATOM 969 CG GLN A 69 -5.743 -0.006 -10.277 1.00 0.00 C ATOM 970 CD GLN A 69 -4.487 0.606 -10.864 1.00 0.00 C ATOM 971 OE1 GLN A 69 -3.461 -0.062 -10.998 1.00 0.00 O ATOM 972 NE2 GLN A 69 -4.560 1.884 -11.217 1.00 0.00 N ATOM 0 H GLN A 69 -6.688 -2.198 -7.619 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.124 -1.489 -8.894 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.740 -0.108 -8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.291 0.877 -8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.866 -1.017 -10.666 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.610 0.569 -10.604 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.431 2.400 -11.088 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.746 2.350 -11.617 1.00 0.00 H new ATOM 981 N LEU A 70 -3.258 0.000 -6.928 1.00 0.00 N ATOM 982 CA LEU A 70 -2.562 0.451 -5.728 1.00 0.00 C ATOM 983 C LEU A 70 -2.547 1.974 -5.647 1.00 0.00 C ATOM 984 O LEU A 70 -2.522 2.658 -6.670 1.00 0.00 O ATOM 985 CB LEU A 70 -1.130 -0.087 -5.712 1.00 0.00 C ATOM 986 CG LEU A 70 -0.984 -1.608 -5.751 1.00 0.00 C ATOM 987 CD1 LEU A 70 0.484 -2.002 -5.803 1.00 0.00 C ATOM 988 CD2 LEU A 70 -1.665 -2.241 -4.546 1.00 0.00 C ATOM 0 H LEU A 70 -2.889 0.384 -7.798 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.098 0.065 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.597 0.331 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.634 0.283 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.471 -1.977 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.568 -3.088 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.943 -1.580 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.995 -1.621 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.551 -3.324 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.208 -1.865 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.725 -1.987 -4.552 1.00 0.00 H new ATOM 1000 N GLU A 71 -2.560 2.497 -4.425 1.00 0.00 N ATOM 1001 CA GLU A 71 -2.546 3.940 -4.213 1.00 0.00 C ATOM 1002 C GLU A 71 -1.260 4.374 -3.515 1.00 0.00 C ATOM 1003 O GLU A 71 -1.011 4.045 -2.355 1.00 0.00 O ATOM 1004 CB GLU A 71 -3.758 4.367 -3.383 1.00 0.00 C ATOM 1005 CG GLU A 71 -3.859 5.870 -3.181 1.00 0.00 C ATOM 1006 CD GLU A 71 -5.291 6.343 -3.023 1.00 0.00 C ATOM 1007 OE1 GLU A 71 -6.029 5.741 -2.216 1.00 0.00 O ATOM 1008 OE2 GLU A 71 -5.673 7.315 -3.708 1.00 0.00 O ATOM 0 H GLU A 71 -2.580 1.944 -3.568 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.592 4.426 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.666 4.013 -3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.710 3.880 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.287 6.153 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.404 6.378 -4.031 1.00 0.00 H new ATOM 1015 N PRO A 72 -0.422 5.131 -4.239 1.00 0.00 N ATOM 1016 CA PRO A 72 0.853 5.628 -3.711 1.00 0.00 C ATOM 1017 C PRO A 72 0.660 6.694 -2.637 1.00 0.00 C ATOM 1018 O PRO A 72 0.405 7.858 -2.945 1.00 0.00 O ATOM 1019 CB PRO A 72 1.538 6.226 -4.942 1.00 0.00 C ATOM 1020 CG PRO A 72 0.421 6.588 -5.858 1.00 0.00 C ATOM 1021 CD PRO A 72 -0.654 5.562 -5.628 1.00 0.00 C ATOM 0 HA PRO A 72 1.429 4.839 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.133 7.100 -4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.214 5.508 -5.407 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.053 7.592 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.751 6.581 -6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.649 5.987 -5.756 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.571 4.729 -6.326 1.00 0.00 H new ATOM 1029 N ILE A 73 0.783 6.288 -1.378 1.00 0.00 N ATOM 1030 CA ILE A 73 0.624 7.210 -0.260 1.00 0.00 C ATOM 1031 C ILE A 73 1.966 7.799 0.162 1.00 0.00 C ATOM 1032 O ILE A 73 2.722 7.176 0.907 1.00 0.00 O ATOM 1033 CB ILE A 73 -0.024 6.516 0.953 1.00 0.00 C ATOM 1034 CG1 ILE A 73 -1.328 5.831 0.540 1.00 0.00 C ATOM 1035 CG2 ILE A 73 -0.277 7.523 2.065 1.00 0.00 C ATOM 1036 CD1 ILE A 73 -1.978 5.045 1.657 1.00 0.00 C ATOM 0 H ILE A 73 0.992 5.327 -1.106 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.030 8.012 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 73 0.661 5.755 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.028 6.586 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.128 5.161 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.735 7.018 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.668 7.969 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.946 8.304 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.897 4.587 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.296 4.267 1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.210 5.714 2.486 1.00 0.00 H new ATOM 1048 N TYR A 74 2.253 9.004 -0.318 1.00 0.00 N ATOM 1049 CA TYR A 74 3.504 9.678 0.008 1.00 0.00 C ATOM 1050 C TYR A 74 3.576 10.000 1.498 1.00 0.00 C ATOM 1051 O TYR A 74 4.516 9.602 2.186 1.00 0.00 O ATOM 1052 CB TYR A 74 3.645 10.962 -0.810 1.00 0.00 C ATOM 1053 CG TYR A 74 4.003 10.720 -2.259 1.00 0.00 C ATOM 1054 CD1 TYR A 74 3.293 9.805 -3.027 1.00 0.00 C ATOM 1055 CD2 TYR A 74 5.051 11.406 -2.861 1.00 0.00 C ATOM 1056 CE1 TYR A 74 3.617 9.580 -4.351 1.00 0.00 C ATOM 1057 CE2 TYR A 74 5.380 11.189 -4.184 1.00 0.00 C ATOM 1058 CZ TYR A 74 4.661 10.275 -4.925 1.00 0.00 C ATOM 1059 OH TYR A 74 4.987 10.054 -6.244 1.00 0.00 O ATOM 0 H TYR A 74 1.636 9.534 -0.934 1.00 0.00 H new ATOM 0 HA TYR A 74 4.325 9.006 -0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.708 11.517 -0.764 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.411 11.590 -0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.474 9.260 -2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.618 12.121 -2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.056 8.864 -4.933 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.196 11.732 -4.636 1.00 0.00 H new ATOM 0 HH TYR A 74 5.744 10.624 -6.494 1.00 0.00 H new ATOM 1069 N ARG A 75 2.576 10.725 1.989 1.00 0.00 N ATOM 1070 CA ARG A 75 2.525 11.102 3.396 1.00 0.00 C ATOM 1071 C ARG A 75 1.396 10.369 4.115 1.00 0.00 C ATOM 1072 O ARG A 75 0.443 9.908 3.487 1.00 0.00 O ATOM 1073 CB ARG A 75 2.334 12.614 3.534 1.00 0.00 C ATOM 1074 CG ARG A 75 3.364 13.430 2.769 1.00 0.00 C ATOM 1075 CD ARG A 75 4.574 13.750 3.633 1.00 0.00 C ATOM 1076 NE ARG A 75 5.412 14.786 3.038 1.00 0.00 N ATOM 1077 CZ ARG A 75 6.360 14.539 2.141 1.00 0.00 C ATOM 1078 NH1 ARG A 75 6.588 13.297 1.737 1.00 0.00 N ATOM 1079 NH2 ARG A 75 7.082 15.536 1.645 1.00 0.00 N ATOM 0 H ARG A 75 1.790 11.063 1.433 1.00 0.00 H new ATOM 0 HA ARG A 75 3.471 10.818 3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.337 12.880 3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.381 12.883 4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.683 12.879 1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.909 14.357 2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.240 14.075 4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.165 12.846 3.779 1.00 0.00 H new ATOM 0 HE ARG A 75 5.262 15.753 3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.035 12.528 2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.317 13.110 1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.909 16.493 1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.810 15.345 0.956 1.00 0.00 H new ATOM 1093 N SER A 76 1.512 10.264 5.435 1.00 0.00 N ATOM 1094 CA SER A 76 0.504 9.582 6.239 1.00 0.00 C ATOM 1095 C SER A 76 -0.792 10.386 6.279 1.00 0.00 C ATOM 1096 O SER A 76 -0.773 11.616 6.303 1.00 0.00 O ATOM 1097 CB SER A 76 1.022 9.357 7.661 1.00 0.00 C ATOM 1098 OG SER A 76 1.333 10.587 8.291 1.00 0.00 O ATOM 0 H SER A 76 2.294 10.642 5.970 1.00 0.00 H new ATOM 0 HA SER A 76 0.299 8.616 5.778 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.271 8.825 8.245 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.910 8.725 7.632 1.00 0.00 H new ATOM 0 HG SER A 76 1.660 10.416 9.199 1.00 0.00 H new ATOM 1104 N SER A 77 -1.919 9.680 6.287 1.00 0.00 N ATOM 1105 CA SER A 77 -3.226 10.326 6.321 1.00 0.00 C ATOM 1106 C SER A 77 -3.883 10.151 7.687 1.00 0.00 C ATOM 1107 O SER A 77 -3.694 9.135 8.354 1.00 0.00 O ATOM 1108 CB SER A 77 -4.131 9.750 5.230 1.00 0.00 C ATOM 1109 OG SER A 77 -4.550 8.436 5.555 1.00 0.00 O ATOM 0 H SER A 77 -1.953 8.661 6.270 1.00 0.00 H new ATOM 0 HA SER A 77 -3.083 11.391 6.140 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.003 10.391 5.100 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.598 9.740 4.279 1.00 0.00 H new ATOM 0 HG SER A 77 -5.128 8.092 4.843 1.00 0.00 H new ATOM 1115 N GLY A 78 -4.656 11.152 8.097 1.00 0.00 N ATOM 1116 CA GLY A 78 -5.329 11.091 9.381 1.00 0.00 C ATOM 1117 C GLY A 78 -5.423 12.448 10.052 1.00 0.00 C ATOM 1118 O GLY A 78 -6.004 13.391 9.515 1.00 0.00 O ATOM 0 H GLY A 78 -4.828 12.004 7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.332 10.687 9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.795 10.402 10.035 1.00 0.00 H new ATOM 1122 N PRO A 79 -4.841 12.558 11.255 1.00 0.00 N ATOM 1123 CA PRO A 79 -4.849 13.804 12.027 1.00 0.00 C ATOM 1124 C PRO A 79 -3.973 14.882 11.396 1.00 0.00 C ATOM 1125 O PRO A 79 -2.750 14.750 11.345 1.00 0.00 O ATOM 1126 CB PRO A 79 -4.284 13.384 13.386 1.00 0.00 C ATOM 1127 CG PRO A 79 -3.452 12.183 13.095 1.00 0.00 C ATOM 1128 CD PRO A 79 -4.131 11.475 11.956 1.00 0.00 C ATOM 0 HA PRO A 79 -5.845 14.243 12.082 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.687 14.181 13.830 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.082 13.152 14.092 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.435 12.469 12.826 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.381 11.536 13.970 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.411 10.979 11.305 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.819 10.708 12.312 1.00 0.00 H new ATOM 1136 N SER A 80 -4.607 15.948 10.918 1.00 0.00 N ATOM 1137 CA SER A 80 -3.885 17.047 10.287 1.00 0.00 C ATOM 1138 C SER A 80 -4.407 18.393 10.781 1.00 0.00 C ATOM 1139 O SER A 80 -5.540 18.498 11.249 1.00 0.00 O ATOM 1140 CB SER A 80 -4.015 16.964 8.765 1.00 0.00 C ATOM 1141 OG SER A 80 -2.898 17.556 8.125 1.00 0.00 O ATOM 0 H SER A 80 -5.618 16.074 10.956 1.00 0.00 H new ATOM 0 HA SER A 80 -2.833 16.962 10.559 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.102 15.921 8.461 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.929 17.466 8.447 1.00 0.00 H new ATOM 0 HG SER A 80 -3.004 17.489 7.153 1.00 0.00 H new ATOM 1147 N SER A 81 -3.570 19.421 10.672 1.00 0.00 N ATOM 1148 CA SER A 81 -3.944 20.760 11.110 1.00 0.00 C ATOM 1149 C SER A 81 -4.292 21.645 9.917 1.00 0.00 C ATOM 1150 O SER A 81 -3.593 21.645 8.905 1.00 0.00 O ATOM 1151 CB SER A 81 -2.807 21.393 11.914 1.00 0.00 C ATOM 1152 OG SER A 81 -1.715 21.730 11.075 1.00 0.00 O ATOM 0 H SER A 81 -2.629 19.351 10.284 1.00 0.00 H new ATOM 0 HA SER A 81 -4.825 20.674 11.746 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.170 22.287 12.421 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.475 20.701 12.688 1.00 0.00 H new ATOM 0 HG SER A 81 -1.002 22.134 11.612 1.00 0.00 H new ATOM 1158 N GLY A 82 -5.380 22.399 10.044 1.00 0.00 N ATOM 1159 CA GLY A 82 -5.803 23.278 8.969 1.00 0.00 C ATOM 1160 C GLY A 82 -6.386 22.518 7.794 1.00 0.00 C ATOM 1161 O GLY A 82 -7.328 21.751 7.985 1.00 0.00 O ATOM 0 H GLY A 82 -5.976 22.417 10.872 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.546 23.980 9.349 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.951 23.868 8.630 1.00 0.00 H new TER 1165 GLY A 82 HETATM 1166 ZN ZN A 201 7.687 -4.519 0.847 1.00 0.00 ZN HETATM 1167 ZN ZN A 401 -6.366 -5.655 -3.714 1.00 0.00 ZN