USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 581 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 50 HIS HD1 : A 50 HIS ND1 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 36 ASN : amide:sc= 0.502 K(o=-0.72,f=-1.2) USER MOD Set 1.2: A 38 GLN : amide:sc= -1.23! C(o=-0.72!,f=-4.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0583 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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 26 MET CE :methyl 148:sc= -0.926 (180deg=-3.37!) USER MOD Single : A 33 GLN : amide:sc= 0.602 K(o=0.6,f=-0.038) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 54 ASN :FLIP amide:sc= -1.23 F(o=-4.7!,f=-1.2) USER MOD Single : A 57 MET CE :methyl 152:sc= -0.413 (180deg=-1.65) USER MOD Single : A 58 SER OG : rot -73:sc= 1.22 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 64 ASN : amide:sc= -0.0463 X(o=-0.046,f=-0.046) USER MOD Single : A 65 ASN : amide:sc= -1.25 K(o=-1.2,f=-3.4!) USER MOD Single : A 71 GLN : amide:sc= -5.9! C(o=-5.9!,f=-8!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.611 -35.675 26.287 1.00 0.00 N ATOM 2 CA GLY A 1 -13.342 -35.729 25.586 1.00 0.00 C ATOM 3 C GLY A 1 -12.789 -34.351 25.280 1.00 0.00 C ATOM 4 O GLY A 1 -13.484 -33.508 24.713 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.946 -36.642 26.473 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.488 -35.172 27.189 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.309 -35.173 25.703 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.621 -36.281 26.189 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.468 -36.281 24.655 1.00 0.00 H new ATOM 8 N SER A 2 -11.535 -34.121 25.657 1.00 0.00 N ATOM 9 CA SER A 2 -10.891 -32.834 25.425 1.00 0.00 C ATOM 10 C SER A 2 -10.721 -32.573 23.931 1.00 0.00 C ATOM 11 O SER A 2 -10.974 -33.449 23.104 1.00 0.00 O ATOM 12 CB SER A 2 -9.529 -32.788 26.120 1.00 0.00 C ATOM 13 OG SER A 2 -8.600 -33.644 25.478 1.00 0.00 O ATOM 0 H SER A 2 -10.945 -34.810 26.124 1.00 0.00 H new ATOM 0 HA SER A 2 -11.530 -32.056 25.842 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.150 -31.766 26.116 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.639 -33.083 27.163 1.00 0.00 H new ATOM 0 HG SER A 2 -7.737 -33.595 25.940 1.00 0.00 H new ATOM 19 N SER A 3 -10.291 -31.362 23.593 1.00 0.00 N ATOM 20 CA SER A 3 -10.091 -30.983 22.199 1.00 0.00 C ATOM 21 C SER A 3 -8.674 -31.318 21.744 1.00 0.00 C ATOM 22 O SER A 3 -7.770 -31.485 22.561 1.00 0.00 O ATOM 23 CB SER A 3 -10.359 -29.488 22.011 1.00 0.00 C ATOM 24 OG SER A 3 -10.151 -29.098 20.665 1.00 0.00 O ATOM 0 H SER A 3 -10.074 -30.626 24.265 1.00 0.00 H new ATOM 0 HA SER A 3 -10.794 -31.550 21.589 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.383 -29.259 22.305 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.704 -28.913 22.665 1.00 0.00 H new ATOM 0 HG SER A 3 -10.330 -28.139 20.571 1.00 0.00 H new ATOM 30 N GLY A 4 -8.488 -31.413 20.431 1.00 0.00 N ATOM 31 CA GLY A 4 -7.180 -31.728 19.887 1.00 0.00 C ATOM 32 C GLY A 4 -6.180 -30.608 20.098 1.00 0.00 C ATOM 33 O GLY A 4 -6.278 -29.853 21.066 1.00 0.00 O ATOM 0 H GLY A 4 -9.220 -31.277 19.734 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.805 -32.639 20.354 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.273 -31.932 18.820 1.00 0.00 H new ATOM 37 N SER A 5 -5.214 -30.501 19.192 1.00 0.00 N ATOM 38 CA SER A 5 -4.188 -29.469 19.286 1.00 0.00 C ATOM 39 C SER A 5 -4.257 -28.524 18.090 1.00 0.00 C ATOM 40 O SER A 5 -4.630 -28.926 16.988 1.00 0.00 O ATOM 41 CB SER A 5 -2.800 -30.106 19.369 1.00 0.00 C ATOM 42 OG SER A 5 -1.830 -29.162 19.788 1.00 0.00 O ATOM 0 H SER A 5 -5.120 -31.116 18.384 1.00 0.00 H new ATOM 0 HA SER A 5 -4.369 -28.892 20.193 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.822 -30.944 20.066 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.523 -30.509 18.395 1.00 0.00 H new ATOM 0 HG SER A 5 -0.952 -29.594 19.835 1.00 0.00 H new ATOM 48 N SER A 6 -3.892 -27.266 18.316 1.00 0.00 N ATOM 49 CA SER A 6 -3.916 -26.262 17.259 1.00 0.00 C ATOM 50 C SER A 6 -2.682 -25.366 17.333 1.00 0.00 C ATOM 51 O SER A 6 -1.868 -25.486 18.248 1.00 0.00 O ATOM 52 CB SER A 6 -5.184 -25.412 17.362 1.00 0.00 C ATOM 53 OG SER A 6 -6.329 -26.158 16.989 1.00 0.00 O ATOM 0 H SER A 6 -3.576 -26.918 19.221 1.00 0.00 H new ATOM 0 HA SER A 6 -3.911 -26.780 16.300 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.300 -25.048 18.383 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.092 -24.536 16.720 1.00 0.00 H new ATOM 0 HG SER A 6 -7.126 -25.593 17.065 1.00 0.00 H new ATOM 59 N GLY A 7 -2.552 -24.467 16.362 1.00 0.00 N ATOM 60 CA GLY A 7 -1.416 -23.565 16.335 1.00 0.00 C ATOM 61 C GLY A 7 -0.499 -23.823 15.156 1.00 0.00 C ATOM 62 O GLY A 7 0.276 -24.779 15.162 1.00 0.00 O ATOM 0 H GLY A 7 -3.213 -24.348 15.594 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.774 -22.536 16.295 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.851 -23.670 17.261 1.00 0.00 H new ATOM 66 N MET A 8 -0.587 -22.969 14.142 1.00 0.00 N ATOM 67 CA MET A 8 0.243 -23.110 12.950 1.00 0.00 C ATOM 68 C MET A 8 1.279 -21.994 12.874 1.00 0.00 C ATOM 69 O MET A 8 0.932 -20.821 12.737 1.00 0.00 O ATOM 70 CB MET A 8 -0.628 -23.101 11.693 1.00 0.00 C ATOM 71 CG MET A 8 -1.158 -24.473 11.310 1.00 0.00 C ATOM 72 SD MET A 8 0.083 -25.492 10.489 1.00 0.00 S ATOM 73 CE MET A 8 -0.191 -25.045 8.776 1.00 0.00 C ATOM 0 H MET A 8 -1.224 -22.172 14.121 1.00 0.00 H new ATOM 0 HA MET A 8 0.767 -24.064 13.013 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.470 -22.426 11.849 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.048 -22.700 10.862 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.509 -24.986 12.206 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.019 -24.355 10.652 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.504 -25.595 8.141 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.214 -25.293 8.494 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.029 -23.975 8.649 1.00 0.00 H new ATOM 83 N TRP A 9 2.551 -22.366 12.963 1.00 0.00 N ATOM 84 CA TRP A 9 3.637 -21.395 12.904 1.00 0.00 C ATOM 85 C TRP A 9 3.739 -20.776 11.514 1.00 0.00 C ATOM 86 O TRP A 9 3.174 -21.294 10.551 1.00 0.00 O ATOM 87 CB TRP A 9 4.963 -22.059 13.279 1.00 0.00 C ATOM 88 CG TRP A 9 4.944 -22.700 14.634 1.00 0.00 C ATOM 89 CD1 TRP A 9 4.285 -23.842 14.991 1.00 0.00 C ATOM 90 CD2 TRP A 9 5.612 -22.235 15.812 1.00 0.00 C ATOM 91 NE1 TRP A 9 4.504 -24.115 16.320 1.00 0.00 N ATOM 92 CE2 TRP A 9 5.315 -23.145 16.846 1.00 0.00 C ATOM 93 CE3 TRP A 9 6.434 -21.140 16.093 1.00 0.00 C ATOM 94 CZ2 TRP A 9 5.811 -22.990 18.137 1.00 0.00 C ATOM 95 CZ3 TRP A 9 6.924 -20.988 17.376 1.00 0.00 C ATOM 96 CH2 TRP A 9 6.612 -21.909 18.385 1.00 0.00 C ATOM 0 H TRP A 9 2.855 -23.333 13.076 1.00 0.00 H new ATOM 0 HA TRP A 9 3.421 -20.601 13.619 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.207 -22.814 12.531 1.00 0.00 H new ATOM 0 HB3 TRP A 9 5.756 -21.312 13.249 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.681 -24.442 14.327 1.00 0.00 H new ATOM 0 HE1 TRP A 9 4.124 -24.911 16.832 1.00 0.00 H new ATOM 0 HE3 TRP A 9 6.682 -20.426 15.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 5.572 -23.699 18.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 7.559 -20.145 17.605 1.00 0.00 H new ATOM 0 HH2 TRP A 9 7.012 -21.763 19.378 1.00 0.00 H new ATOM 107 N SER A 10 4.464 -19.666 11.417 1.00 0.00 N ATOM 108 CA SER A 10 4.637 -18.975 10.145 1.00 0.00 C ATOM 109 C SER A 10 6.111 -18.917 9.754 1.00 0.00 C ATOM 110 O SER A 10 6.991 -19.194 10.569 1.00 0.00 O ATOM 111 CB SER A 10 4.063 -17.560 10.227 1.00 0.00 C ATOM 112 OG SER A 10 2.668 -17.560 9.977 1.00 0.00 O ATOM 0 H SER A 10 4.941 -19.226 12.204 1.00 0.00 H new ATOM 0 HA SER A 10 4.098 -19.534 9.380 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.259 -17.142 11.214 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.565 -16.918 9.503 1.00 0.00 H new ATOM 0 HG SER A 10 2.325 -16.644 10.037 1.00 0.00 H new ATOM 118 N TRP A 11 6.371 -18.555 8.503 1.00 0.00 N ATOM 119 CA TRP A 11 7.738 -18.460 8.004 1.00 0.00 C ATOM 120 C TRP A 11 8.020 -17.067 7.453 1.00 0.00 C ATOM 121 O TRP A 11 7.194 -16.162 7.573 1.00 0.00 O ATOM 122 CB TRP A 11 7.980 -19.510 6.918 1.00 0.00 C ATOM 123 CG TRP A 11 6.734 -19.901 6.181 1.00 0.00 C ATOM 124 CD1 TRP A 11 6.055 -19.151 5.264 1.00 0.00 C ATOM 125 CD2 TRP A 11 6.020 -21.135 6.302 1.00 0.00 C ATOM 126 NE1 TRP A 11 4.961 -19.845 4.807 1.00 0.00 N ATOM 127 CE2 TRP A 11 4.917 -21.065 5.428 1.00 0.00 C ATOM 128 CE3 TRP A 11 6.204 -22.294 7.062 1.00 0.00 C ATOM 129 CZ2 TRP A 11 4.005 -22.109 5.296 1.00 0.00 C ATOM 130 CZ3 TRP A 11 5.298 -23.329 6.929 1.00 0.00 C ATOM 131 CH2 TRP A 11 4.210 -23.231 6.051 1.00 0.00 C ATOM 0 H TRP A 11 5.654 -18.323 7.816 1.00 0.00 H new ATOM 0 HA TRP A 11 8.417 -18.645 8.837 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.709 -19.124 6.205 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.418 -20.398 7.373 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.337 -18.158 4.945 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.290 -19.507 4.117 1.00 0.00 H new ATOM 0 HE3 TRP A 11 7.039 -22.379 7.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.165 -22.035 4.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.431 -24.229 7.512 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.520 -24.058 5.969 1.00 0.00 H new ATOM 142 N ASP A 12 9.192 -16.900 6.849 1.00 0.00 N ATOM 143 CA ASP A 12 9.582 -15.616 6.278 1.00 0.00 C ATOM 144 C ASP A 12 9.678 -15.704 4.758 1.00 0.00 C ATOM 145 O ASP A 12 10.575 -15.123 4.147 1.00 0.00 O ATOM 146 CB ASP A 12 10.922 -15.162 6.860 1.00 0.00 C ATOM 147 CG ASP A 12 10.782 -14.592 8.258 1.00 0.00 C ATOM 148 OD1 ASP A 12 9.793 -14.932 8.941 1.00 0.00 O ATOM 149 OD2 ASP A 12 11.660 -13.804 8.669 1.00 0.00 O ATOM 0 H ASP A 12 9.888 -17.638 6.742 1.00 0.00 H new ATOM 0 HA ASP A 12 8.816 -14.884 6.534 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.610 -16.007 6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.363 -14.409 6.206 1.00 0.00 H new ATOM 154 N VAL A 13 8.747 -16.435 4.153 1.00 0.00 N ATOM 155 CA VAL A 13 8.726 -16.599 2.704 1.00 0.00 C ATOM 156 C VAL A 13 8.349 -15.295 2.009 1.00 0.00 C ATOM 157 O VAL A 13 8.688 -15.081 0.846 1.00 0.00 O ATOM 158 CB VAL A 13 7.736 -17.699 2.278 1.00 0.00 C ATOM 159 CG1 VAL A 13 8.076 -19.016 2.958 1.00 0.00 C ATOM 160 CG2 VAL A 13 6.307 -17.281 2.592 1.00 0.00 C ATOM 0 H VAL A 13 7.998 -16.923 4.644 1.00 0.00 H new ATOM 0 HA VAL A 13 9.733 -16.890 2.404 1.00 0.00 H new ATOM 0 HB VAL A 13 7.820 -17.841 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.366 -19.781 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.084 -19.320 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.022 -18.892 4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.621 -18.070 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.205 -17.109 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.070 -16.364 2.053 1.00 0.00 H new ATOM 170 N GLU A 14 7.648 -14.427 2.731 1.00 0.00 N ATOM 171 CA GLU A 14 7.225 -13.144 2.183 1.00 0.00 C ATOM 172 C GLU A 14 8.356 -12.121 2.257 1.00 0.00 C ATOM 173 O GLU A 14 8.714 -11.655 3.339 1.00 0.00 O ATOM 174 CB GLU A 14 5.999 -12.621 2.935 1.00 0.00 C ATOM 175 CG GLU A 14 4.699 -13.287 2.517 1.00 0.00 C ATOM 176 CD GLU A 14 3.507 -12.790 3.312 1.00 0.00 C ATOM 177 OE1 GLU A 14 3.500 -12.970 4.547 1.00 0.00 O ATOM 178 OE2 GLU A 14 2.582 -12.219 2.697 1.00 0.00 O ATOM 0 H GLU A 14 7.361 -14.589 3.696 1.00 0.00 H new ATOM 0 HA GLU A 14 6.962 -13.295 1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.147 -12.772 4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.915 -11.546 2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.526 -13.104 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.791 -14.366 2.643 1.00 0.00 H new ATOM 185 N CYS A 15 8.912 -11.778 1.101 1.00 0.00 N ATOM 186 CA CYS A 15 10.003 -10.812 1.035 1.00 0.00 C ATOM 187 C CYS A 15 9.725 -9.750 -0.024 1.00 0.00 C ATOM 188 O CYS A 15 8.713 -9.805 -0.722 1.00 0.00 O ATOM 189 CB CYS A 15 11.323 -11.522 0.728 1.00 0.00 C ATOM 190 SG CYS A 15 12.145 -12.212 2.183 1.00 0.00 S ATOM 0 H CYS A 15 8.626 -12.154 0.197 1.00 0.00 H new ATOM 0 HA CYS A 15 10.080 -10.321 2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 15 11.134 -12.325 0.016 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.998 -10.817 0.242 1.00 0.00 H new ATOM 0 HG CYS A 15 13.250 -12.794 1.822 1.00 0.00 H new ATOM 196 N ASP A 16 10.629 -8.783 -0.136 1.00 0.00 N ATOM 197 CA ASP A 16 10.481 -7.707 -1.109 1.00 0.00 C ATOM 198 C ASP A 16 9.121 -7.031 -0.969 1.00 0.00 C ATOM 199 O ASP A 16 8.369 -6.917 -1.937 1.00 0.00 O ATOM 200 CB ASP A 16 10.651 -8.248 -2.529 1.00 0.00 C ATOM 201 CG ASP A 16 12.108 -8.432 -2.909 1.00 0.00 C ATOM 202 OD1 ASP A 16 12.864 -9.004 -2.096 1.00 0.00 O ATOM 203 OD2 ASP A 16 12.491 -8.003 -4.017 1.00 0.00 O ATOM 0 H ASP A 16 11.472 -8.722 0.435 1.00 0.00 H new ATOM 0 HA ASP A 16 11.257 -6.966 -0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.133 -9.203 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.178 -7.564 -3.234 1.00 0.00 H new ATOM 208 N THR A 17 8.811 -6.583 0.244 1.00 0.00 N ATOM 209 CA THR A 17 7.541 -5.920 0.512 1.00 0.00 C ATOM 210 C THR A 17 7.743 -4.432 0.778 1.00 0.00 C ATOM 211 O THR A 17 8.669 -4.038 1.487 1.00 0.00 O ATOM 212 CB THR A 17 6.821 -6.552 1.719 1.00 0.00 C ATOM 213 OG1 THR A 17 6.192 -7.777 1.327 1.00 0.00 O ATOM 214 CG2 THR A 17 5.780 -5.599 2.287 1.00 0.00 C ATOM 0 H THR A 17 9.422 -6.667 1.056 1.00 0.00 H new ATOM 0 HA THR A 17 6.924 -6.047 -0.378 1.00 0.00 H new ATOM 0 HB THR A 17 7.562 -6.756 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.738 -8.173 2.100 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.285 -6.066 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.267 -4.679 2.611 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.041 -5.368 1.520 1.00 0.00 H new ATOM 222 N CYS A 18 6.870 -3.610 0.205 1.00 0.00 N ATOM 223 CA CYS A 18 6.952 -2.165 0.380 1.00 0.00 C ATOM 224 C CYS A 18 7.093 -1.803 1.855 1.00 0.00 C ATOM 225 O CYS A 18 6.140 -1.913 2.626 1.00 0.00 O ATOM 226 CB CYS A 18 5.711 -1.489 -0.207 1.00 0.00 C ATOM 227 SG CYS A 18 5.714 0.327 -0.059 1.00 0.00 S ATOM 0 H CYS A 18 6.098 -3.920 -0.385 1.00 0.00 H new ATOM 0 HA CYS A 18 7.836 -1.809 -0.149 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.628 -1.757 -1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.826 -1.882 0.292 1.00 0.00 H new ATOM 232 N ALA A 19 8.288 -1.369 2.241 1.00 0.00 N ATOM 233 CA ALA A 19 8.554 -0.988 3.622 1.00 0.00 C ATOM 234 C ALA A 19 7.838 0.310 3.981 1.00 0.00 C ATOM 235 O ALA A 19 7.497 0.541 5.142 1.00 0.00 O ATOM 236 CB ALA A 19 10.051 -0.848 3.853 1.00 0.00 C ATOM 0 H ALA A 19 9.088 -1.272 1.616 1.00 0.00 H new ATOM 0 HA ALA A 19 8.170 -1.776 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.234 -0.563 4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.542 -1.799 3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.451 -0.081 3.190 1.00 0.00 H new ATOM 242 N ILE A 20 7.613 1.153 2.979 1.00 0.00 N ATOM 243 CA ILE A 20 6.937 2.427 3.190 1.00 0.00 C ATOM 244 C ILE A 20 5.620 2.233 3.933 1.00 0.00 C ATOM 245 O ILE A 20 5.333 2.935 4.904 1.00 0.00 O ATOM 246 CB ILE A 20 6.661 3.145 1.856 1.00 0.00 C ATOM 247 CG1 ILE A 20 7.965 3.348 1.081 1.00 0.00 C ATOM 248 CG2 ILE A 20 5.973 4.479 2.105 1.00 0.00 C ATOM 249 CD1 ILE A 20 7.761 3.541 -0.405 1.00 0.00 C ATOM 0 H ILE A 20 7.889 0.977 2.013 1.00 0.00 H new ATOM 0 HA ILE A 20 7.604 3.043 3.793 1.00 0.00 H new ATOM 0 HB ILE A 20 5.997 2.522 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.486 4.217 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.612 2.485 1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.785 4.975 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.027 4.310 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.614 5.109 2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.727 3.679 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.268 2.663 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.140 4.421 -0.576 1.00 0.00 H new ATOM 261 N CYS A 21 4.821 1.277 3.471 1.00 0.00 N ATOM 262 CA CYS A 21 3.534 0.989 4.092 1.00 0.00 C ATOM 263 C CYS A 21 3.503 -0.433 4.646 1.00 0.00 C ATOM 264 O CYS A 21 2.568 -0.816 5.349 1.00 0.00 O ATOM 265 CB CYS A 21 2.403 1.178 3.080 1.00 0.00 C ATOM 266 SG CYS A 21 2.429 -0.015 1.703 1.00 0.00 S ATOM 0 H CYS A 21 5.043 0.688 2.668 1.00 0.00 H new ATOM 0 HA CYS A 21 3.394 1.685 4.919 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.448 1.096 3.599 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.459 2.188 2.673 1.00 0.00 H new ATOM 271 N ARG A 22 4.532 -1.210 4.324 1.00 0.00 N ATOM 272 CA ARG A 22 4.622 -2.589 4.788 1.00 0.00 C ATOM 273 C ARG A 22 3.512 -3.441 4.181 1.00 0.00 C ATOM 274 O ARG A 22 2.945 -4.308 4.847 1.00 0.00 O ATOM 275 CB ARG A 22 4.543 -2.642 6.315 1.00 0.00 C ATOM 276 CG ARG A 22 5.596 -1.793 7.009 1.00 0.00 C ATOM 277 CD ARG A 22 6.986 -2.388 6.846 1.00 0.00 C ATOM 278 NE ARG A 22 7.188 -3.551 7.705 1.00 0.00 N ATOM 279 CZ ARG A 22 8.083 -4.501 7.457 1.00 0.00 C ATOM 280 NH1 ARG A 22 8.855 -4.425 6.381 1.00 0.00 N ATOM 281 NH2 ARG A 22 8.208 -5.530 8.286 1.00 0.00 N ATOM 0 H ARG A 22 5.315 -0.908 3.744 1.00 0.00 H new ATOM 0 HA ARG A 22 5.582 -2.992 4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.554 -2.310 6.631 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.650 -3.677 6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.580 -0.784 6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.357 -1.709 8.069 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.137 -2.675 5.806 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.734 -1.631 7.080 1.00 0.00 H new ATOM 0 HE ARG A 22 6.611 -3.639 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.762 -3.636 5.742 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.541 -5.156 6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.616 -5.592 9.115 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.896 -6.259 8.094 1.00 0.00 H new ATOM 295 N VAL A 23 3.205 -3.188 2.912 1.00 0.00 N ATOM 296 CA VAL A 23 2.163 -3.931 2.215 1.00 0.00 C ATOM 297 C VAL A 23 2.712 -4.603 0.961 1.00 0.00 C ATOM 298 O VAL A 23 3.619 -4.082 0.313 1.00 0.00 O ATOM 299 CB VAL A 23 0.988 -3.016 1.820 1.00 0.00 C ATOM 300 CG1 VAL A 23 -0.137 -3.829 1.199 1.00 0.00 C ATOM 301 CG2 VAL A 23 0.491 -2.238 3.029 1.00 0.00 C ATOM 0 H VAL A 23 3.664 -2.474 2.346 1.00 0.00 H new ATOM 0 HA VAL A 23 1.804 -4.694 2.906 1.00 0.00 H new ATOM 0 HB VAL A 23 1.340 -2.302 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.958 -3.166 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.230 -4.337 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.491 -4.568 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.339 -1.597 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.155 -2.935 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.300 -1.624 3.425 1.00 0.00 H new ATOM 311 N GLN A 24 2.156 -5.763 0.626 1.00 0.00 N ATOM 312 CA GLN A 24 2.591 -6.506 -0.551 1.00 0.00 C ATOM 313 C GLN A 24 2.685 -5.592 -1.768 1.00 0.00 C ATOM 314 O GLN A 24 1.672 -5.241 -2.373 1.00 0.00 O ATOM 315 CB GLN A 24 1.627 -7.659 -0.837 1.00 0.00 C ATOM 316 CG GLN A 24 1.876 -8.887 0.023 1.00 0.00 C ATOM 317 CD GLN A 24 2.946 -9.795 -0.550 1.00 0.00 C ATOM 318 OE1 GLN A 24 2.858 -10.229 -1.699 1.00 0.00 O ATOM 319 NE2 GLN A 24 3.965 -10.087 0.249 1.00 0.00 N ATOM 0 H GLN A 24 1.404 -6.208 1.152 1.00 0.00 H new ATOM 0 HA GLN A 24 3.582 -6.912 -0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.605 -7.315 -0.678 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.709 -7.938 -1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.171 -8.571 1.024 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.947 -9.447 0.127 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.998 -9.705 1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.715 -10.693 -0.082 1.00 0.00 H new ATOM 328 N VAL A 25 3.908 -5.210 -2.122 1.00 0.00 N ATOM 329 CA VAL A 25 4.134 -4.337 -3.268 1.00 0.00 C ATOM 330 C VAL A 25 3.299 -4.775 -4.466 1.00 0.00 C ATOM 331 O VAL A 25 2.905 -3.955 -5.294 1.00 0.00 O ATOM 332 CB VAL A 25 5.620 -4.316 -3.672 1.00 0.00 C ATOM 333 CG1 VAL A 25 6.148 -5.732 -3.842 1.00 0.00 C ATOM 334 CG2 VAL A 25 5.814 -3.509 -4.948 1.00 0.00 C ATOM 0 H VAL A 25 4.757 -5.491 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 25 3.832 -3.334 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 25 6.188 -3.836 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.199 -5.696 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.045 -6.274 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.578 -6.242 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.870 -3.505 -5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.234 -3.958 -5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.477 -2.485 -4.786 1.00 0.00 H new ATOM 344 N MET A 26 3.033 -6.075 -4.551 1.00 0.00 N ATOM 345 CA MET A 26 2.243 -6.622 -5.648 1.00 0.00 C ATOM 346 C MET A 26 0.796 -6.143 -5.568 1.00 0.00 C ATOM 347 O MET A 26 0.166 -5.870 -6.589 1.00 0.00 O ATOM 348 CB MET A 26 2.288 -8.151 -5.624 1.00 0.00 C ATOM 349 CG MET A 26 3.574 -8.730 -6.191 1.00 0.00 C ATOM 350 SD MET A 26 3.455 -9.089 -7.954 1.00 0.00 S ATOM 351 CE MET A 26 3.691 -7.455 -8.649 1.00 0.00 C ATOM 0 H MET A 26 3.353 -6.768 -3.874 1.00 0.00 H new ATOM 0 HA MET A 26 2.673 -6.267 -6.585 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.167 -8.494 -4.596 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.443 -8.540 -6.192 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.390 -8.028 -6.021 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.824 -9.645 -5.654 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.196 -7.538 -9.612 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.722 -6.975 -8.788 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.299 -6.856 -7.971 1.00 0.00 H new ATOM 361 N ASP A 27 0.278 -6.044 -4.349 1.00 0.00 N ATOM 362 CA ASP A 27 -1.094 -5.597 -4.136 1.00 0.00 C ATOM 363 C ASP A 27 -1.132 -4.122 -3.749 1.00 0.00 C ATOM 364 O ASP A 27 -0.091 -3.493 -3.564 1.00 0.00 O ATOM 365 CB ASP A 27 -1.764 -6.439 -3.049 1.00 0.00 C ATOM 366 CG ASP A 27 -1.662 -7.927 -3.323 1.00 0.00 C ATOM 367 OD1 ASP A 27 -2.550 -8.463 -4.019 1.00 0.00 O ATOM 368 OD2 ASP A 27 -0.696 -8.555 -2.842 1.00 0.00 O ATOM 0 H ASP A 27 0.787 -6.267 -3.494 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.640 -5.723 -5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.303 -6.217 -2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.814 -6.158 -2.972 1.00 0.00 H new ATOM 373 N ALA A 28 -2.338 -3.577 -3.631 1.00 0.00 N ATOM 374 CA ALA A 28 -2.511 -2.177 -3.266 1.00 0.00 C ATOM 375 C ALA A 28 -2.176 -1.947 -1.796 1.00 0.00 C ATOM 376 O ALA A 28 -2.312 -2.850 -0.970 1.00 0.00 O ATOM 377 CB ALA A 28 -3.934 -1.726 -3.562 1.00 0.00 C ATOM 0 H ALA A 28 -3.210 -4.084 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.821 -1.583 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.049 -0.678 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.139 -1.844 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.635 -2.332 -2.988 1.00 0.00 H new ATOM 383 N CYS A 29 -1.737 -0.734 -1.477 1.00 0.00 N ATOM 384 CA CYS A 29 -1.382 -0.386 -0.106 1.00 0.00 C ATOM 385 C CYS A 29 -2.632 -0.180 0.744 1.00 0.00 C ATOM 386 O CYS A 29 -3.752 -0.184 0.233 1.00 0.00 O ATOM 387 CB CYS A 29 -0.524 0.881 -0.086 1.00 0.00 C ATOM 388 SG CYS A 29 -1.338 2.342 -0.806 1.00 0.00 S ATOM 0 H CYS A 29 -1.619 0.024 -2.149 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.809 -1.212 0.316 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.248 1.103 0.945 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.401 0.689 -0.630 1.00 0.00 H new ATOM 393 N LEU A 30 -2.432 0.001 2.045 1.00 0.00 N ATOM 394 CA LEU A 30 -3.543 0.210 2.968 1.00 0.00 C ATOM 395 C LEU A 30 -4.248 1.531 2.682 1.00 0.00 C ATOM 396 O LEU A 30 -5.354 1.773 3.164 1.00 0.00 O ATOM 397 CB LEU A 30 -3.041 0.189 4.413 1.00 0.00 C ATOM 398 CG LEU A 30 -2.916 -1.191 5.060 1.00 0.00 C ATOM 399 CD1 LEU A 30 -2.250 -1.083 6.423 1.00 0.00 C ATOM 400 CD2 LEU A 30 -4.283 -1.848 5.183 1.00 0.00 C ATOM 0 H LEU A 30 -1.512 0.007 2.485 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.259 -0.600 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.065 0.673 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.716 0.793 5.020 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.291 -1.815 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.170 -2.075 6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.254 -0.655 6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.848 -0.442 7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.175 -2.829 5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.932 -1.226 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.723 -1.960 4.192 1.00 0.00 H new ATOM 412 N ARG A 31 -3.601 2.383 1.892 1.00 0.00 N ATOM 413 CA ARG A 31 -4.167 3.679 1.541 1.00 0.00 C ATOM 414 C ARG A 31 -4.990 3.584 0.259 1.00 0.00 C ATOM 415 O ARG A 31 -5.934 4.349 0.056 1.00 0.00 O ATOM 416 CB ARG A 31 -3.054 4.715 1.369 1.00 0.00 C ATOM 417 CG ARG A 31 -2.171 4.870 2.596 1.00 0.00 C ATOM 418 CD ARG A 31 -2.957 5.398 3.786 1.00 0.00 C ATOM 419 NE ARG A 31 -3.376 6.784 3.592 1.00 0.00 N ATOM 420 CZ ARG A 31 -3.653 7.614 4.591 1.00 0.00 C ATOM 421 NH1 ARG A 31 -3.555 7.201 5.847 1.00 0.00 N ATOM 422 NH2 ARG A 31 -4.028 8.861 4.335 1.00 0.00 N ATOM 0 H ARG A 31 -2.685 2.198 1.484 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.824 3.992 2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.434 4.431 0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.501 5.680 1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.727 3.907 2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.350 5.550 2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.835 4.773 3.947 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.345 5.326 4.685 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.460 7.133 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.266 6.244 6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.768 7.841 6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.104 9.183 3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.241 9.498 5.103 1.00 0.00 H new ATOM 436 N CYS A 32 -4.625 2.641 -0.603 1.00 0.00 N ATOM 437 CA CYS A 32 -5.328 2.446 -1.865 1.00 0.00 C ATOM 438 C CYS A 32 -6.427 1.398 -1.719 1.00 0.00 C ATOM 439 O CYS A 32 -7.471 1.485 -2.366 1.00 0.00 O ATOM 440 CB CYS A 32 -4.346 2.021 -2.959 1.00 0.00 C ATOM 441 SG CYS A 32 -3.302 3.376 -3.587 1.00 0.00 S ATOM 0 H CYS A 32 -3.846 2.000 -0.450 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.788 3.393 -2.146 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.703 1.232 -2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.907 1.593 -3.790 1.00 0.00 H new ATOM 446 N GLN A 33 -6.185 0.409 -0.864 1.00 0.00 N ATOM 447 CA GLN A 33 -7.154 -0.655 -0.634 1.00 0.00 C ATOM 448 C GLN A 33 -8.409 -0.112 0.043 1.00 0.00 C ATOM 449 O GLN A 33 -9.510 -0.615 -0.175 1.00 0.00 O ATOM 450 CB GLN A 33 -6.536 -1.760 0.224 1.00 0.00 C ATOM 451 CG GLN A 33 -5.509 -2.602 -0.516 1.00 0.00 C ATOM 452 CD GLN A 33 -5.327 -3.976 0.100 1.00 0.00 C ATOM 453 OE1 GLN A 33 -6.265 -4.771 0.159 1.00 0.00 O ATOM 454 NE2 GLN A 33 -4.115 -4.261 0.562 1.00 0.00 N ATOM 0 H GLN A 33 -5.327 0.323 -0.320 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.436 -1.070 -1.602 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.063 -1.309 1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.330 -2.410 0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.816 -2.712 -1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.552 -2.080 -0.520 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.367 -3.571 0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.932 -5.170 0.987 1.00 0.00 H new ATOM 463 N ALA A 34 -8.233 0.917 0.866 1.00 0.00 N ATOM 464 CA ALA A 34 -9.350 1.529 1.573 1.00 0.00 C ATOM 465 C ALA A 34 -10.108 2.496 0.670 1.00 0.00 C ATOM 466 O ALA A 34 -11.332 2.598 0.743 1.00 0.00 O ATOM 467 CB ALA A 34 -8.856 2.246 2.821 1.00 0.00 C ATOM 0 H ALA A 34 -7.327 1.344 1.059 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.037 0.737 1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.701 2.699 3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.366 1.531 3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.146 3.023 2.537 1.00 0.00 H new ATOM 473 N GLU A 35 -9.372 3.205 -0.180 1.00 0.00 N ATOM 474 CA GLU A 35 -9.976 4.165 -1.096 1.00 0.00 C ATOM 475 C GLU A 35 -10.395 3.487 -2.397 1.00 0.00 C ATOM 476 O GLU A 35 -11.057 4.092 -3.240 1.00 0.00 O ATOM 477 CB GLU A 35 -8.998 5.304 -1.394 1.00 0.00 C ATOM 478 CG GLU A 35 -8.900 6.330 -0.278 1.00 0.00 C ATOM 479 CD GLU A 35 -8.359 7.663 -0.756 1.00 0.00 C ATOM 480 OE1 GLU A 35 -8.876 8.183 -1.767 1.00 0.00 O ATOM 481 OE2 GLU A 35 -7.420 8.185 -0.121 1.00 0.00 O ATOM 0 H GLU A 35 -8.357 3.133 -0.253 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.865 4.575 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.009 4.884 -1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.306 5.806 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.887 6.479 0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.255 5.943 0.511 1.00 0.00 H new ATOM 488 N ASN A 36 -10.004 2.226 -2.553 1.00 0.00 N ATOM 489 CA ASN A 36 -10.338 1.465 -3.751 1.00 0.00 C ATOM 490 C ASN A 36 -9.646 2.050 -4.978 1.00 0.00 C ATOM 491 O ASN A 36 -10.251 2.185 -6.042 1.00 0.00 O ATOM 492 CB ASN A 36 -11.853 1.449 -3.966 1.00 0.00 C ATOM 493 CG ASN A 36 -12.321 0.208 -4.700 1.00 0.00 C ATOM 494 OD1 ASN A 36 -12.797 -0.747 -4.087 1.00 0.00 O ATOM 495 ND2 ASN A 36 -12.185 0.216 -6.021 1.00 0.00 N ATOM 0 H ASN A 36 -9.456 1.710 -1.865 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.987 0.443 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.355 1.507 -3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.146 2.334 -4.531 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -12.481 -0.592 -6.569 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -11.785 1.030 -6.488 1.00 0.00 H new ATOM 502 N LYS A 37 -8.372 2.396 -4.823 1.00 0.00 N ATOM 503 CA LYS A 37 -7.595 2.965 -5.918 1.00 0.00 C ATOM 504 C LYS A 37 -6.528 1.985 -6.395 1.00 0.00 C ATOM 505 O LYS A 37 -5.525 2.385 -6.985 1.00 0.00 O ATOM 506 CB LYS A 37 -6.938 4.275 -5.476 1.00 0.00 C ATOM 507 CG LYS A 37 -7.933 5.351 -5.078 1.00 0.00 C ATOM 508 CD LYS A 37 -8.600 5.971 -6.294 1.00 0.00 C ATOM 509 CE LYS A 37 -7.621 6.813 -7.098 1.00 0.00 C ATOM 510 NZ LYS A 37 -8.302 7.569 -8.185 1.00 0.00 N ATOM 0 H LYS A 37 -7.856 2.292 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.274 3.167 -6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.277 4.074 -4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.315 4.651 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.693 4.922 -4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.423 6.127 -4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.009 5.184 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.438 6.591 -5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.112 7.511 -6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.856 6.168 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.601 8.130 -8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.767 6.902 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.015 8.204 -7.772 1.00 0.00 H new ATOM 524 N GLN A 38 -6.754 0.701 -6.137 1.00 0.00 N ATOM 525 CA GLN A 38 -5.811 -0.336 -6.542 1.00 0.00 C ATOM 526 C GLN A 38 -5.378 -0.142 -7.991 1.00 0.00 C ATOM 527 O GLN A 38 -4.192 0.012 -8.279 1.00 0.00 O ATOM 528 CB GLN A 38 -6.437 -1.721 -6.365 1.00 0.00 C ATOM 529 CG GLN A 38 -7.022 -1.951 -4.981 1.00 0.00 C ATOM 530 CD GLN A 38 -8.489 -1.577 -4.898 1.00 0.00 C ATOM 531 OE1 GLN A 38 -9.045 -0.989 -5.826 1.00 0.00 O ATOM 532 NE2 GLN A 38 -9.125 -1.918 -3.784 1.00 0.00 N ATOM 0 H GLN A 38 -7.580 0.354 -5.650 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.930 -0.259 -5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.222 -1.853 -7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.680 -2.481 -6.562 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.902 -3.000 -4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.460 -1.367 -4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.625 -2.405 -3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.114 -1.693 -3.672 1.00 0.00 H new ATOM 541 N GLU A 39 -6.349 -0.152 -8.900 1.00 0.00 N ATOM 542 CA GLU A 39 -6.066 0.022 -10.320 1.00 0.00 C ATOM 543 C GLU A 39 -4.941 1.031 -10.532 1.00 0.00 C ATOM 544 O GLU A 39 -4.172 0.927 -11.487 1.00 0.00 O ATOM 545 CB GLU A 39 -7.324 0.481 -11.061 1.00 0.00 C ATOM 546 CG GLU A 39 -7.206 0.395 -12.573 1.00 0.00 C ATOM 547 CD GLU A 39 -8.457 0.873 -13.284 1.00 0.00 C ATOM 548 OE1 GLU A 39 -8.570 2.093 -13.528 1.00 0.00 O ATOM 549 OE2 GLU A 39 -9.322 0.029 -13.597 1.00 0.00 O ATOM 0 H GLU A 39 -7.337 -0.279 -8.678 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.747 -0.940 -10.721 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.169 -0.126 -10.736 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.545 1.511 -10.780 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.355 0.992 -12.902 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.001 -0.637 -12.860 1.00 0.00 H new ATOM 556 N ASP A 40 -4.853 2.006 -9.634 1.00 0.00 N ATOM 557 CA ASP A 40 -3.822 3.034 -9.721 1.00 0.00 C ATOM 558 C ASP A 40 -2.552 2.592 -9.001 1.00 0.00 C ATOM 559 O ASP A 40 -1.441 2.849 -9.465 1.00 0.00 O ATOM 560 CB ASP A 40 -4.330 4.348 -9.125 1.00 0.00 C ATOM 561 CG ASP A 40 -3.540 5.547 -9.610 1.00 0.00 C ATOM 562 OD1 ASP A 40 -3.709 5.933 -10.786 1.00 0.00 O ATOM 563 OD2 ASP A 40 -2.754 6.101 -8.814 1.00 0.00 O ATOM 0 H ASP A 40 -5.483 2.106 -8.838 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.586 3.189 -10.774 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.380 4.479 -9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.275 4.296 -8.038 1.00 0.00 H new ATOM 568 N CYS A 41 -2.724 1.927 -7.863 1.00 0.00 N ATOM 569 CA CYS A 41 -1.592 1.451 -7.077 1.00 0.00 C ATOM 570 C CYS A 41 -0.765 0.443 -7.870 1.00 0.00 C ATOM 571 O CYS A 41 -0.997 -0.764 -7.795 1.00 0.00 O ATOM 572 CB CYS A 41 -2.081 0.814 -5.775 1.00 0.00 C ATOM 573 SG CYS A 41 -0.850 0.827 -4.432 1.00 0.00 S ATOM 0 H CYS A 41 -3.637 1.706 -7.465 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.960 2.307 -6.840 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.975 1.340 -5.439 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.374 -0.217 -5.975 1.00 0.00 H new ATOM 578 N VAL A 42 0.203 0.947 -8.629 1.00 0.00 N ATOM 579 CA VAL A 42 1.066 0.092 -9.435 1.00 0.00 C ATOM 580 C VAL A 42 2.399 -0.155 -8.739 1.00 0.00 C ATOM 581 O VAL A 42 2.661 0.386 -7.664 1.00 0.00 O ATOM 582 CB VAL A 42 1.330 0.708 -10.822 1.00 0.00 C ATOM 583 CG1 VAL A 42 0.039 0.799 -11.621 1.00 0.00 C ATOM 584 CG2 VAL A 42 1.977 2.078 -10.681 1.00 0.00 C ATOM 0 H VAL A 42 0.409 1.943 -8.702 1.00 0.00 H new ATOM 0 HA VAL A 42 0.544 -0.856 -9.561 1.00 0.00 H new ATOM 0 HB VAL A 42 2.019 0.059 -11.363 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.246 1.237 -12.598 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.379 -0.199 -11.752 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.676 1.425 -11.087 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.157 2.499 -11.670 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.314 2.738 -10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.924 1.980 -10.151 1.00 0.00 H new ATOM 594 N VAL A 43 3.241 -0.976 -9.359 1.00 0.00 N ATOM 595 CA VAL A 43 4.550 -1.294 -8.799 1.00 0.00 C ATOM 596 C VAL A 43 5.656 -0.532 -9.520 1.00 0.00 C ATOM 597 O VAL A 43 5.718 -0.522 -10.750 1.00 0.00 O ATOM 598 CB VAL A 43 4.844 -2.804 -8.882 1.00 0.00 C ATOM 599 CG1 VAL A 43 6.230 -3.109 -8.337 1.00 0.00 C ATOM 600 CG2 VAL A 43 3.782 -3.595 -8.134 1.00 0.00 C ATOM 0 H VAL A 43 3.040 -1.433 -10.249 1.00 0.00 H new ATOM 0 HA VAL A 43 4.528 -0.992 -7.752 1.00 0.00 H new ATOM 0 HB VAL A 43 4.818 -3.105 -9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.420 -4.180 -8.404 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.977 -2.571 -8.921 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.289 -2.795 -7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.005 -4.660 -8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.774 -3.293 -7.087 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.805 -3.400 -8.576 1.00 0.00 H new ATOM 610 N VAL A 44 6.529 0.106 -8.747 1.00 0.00 N ATOM 611 CA VAL A 44 7.634 0.870 -9.311 1.00 0.00 C ATOM 612 C VAL A 44 8.978 0.266 -8.918 1.00 0.00 C ATOM 613 O VAL A 44 9.364 0.295 -7.749 1.00 0.00 O ATOM 614 CB VAL A 44 7.591 2.340 -8.854 1.00 0.00 C ATOM 615 CG1 VAL A 44 7.671 2.431 -7.338 1.00 0.00 C ATOM 616 CG2 VAL A 44 8.716 3.133 -9.504 1.00 0.00 C ATOM 0 H VAL A 44 6.492 0.109 -7.728 1.00 0.00 H new ATOM 0 HA VAL A 44 7.525 0.831 -10.395 1.00 0.00 H new ATOM 0 HB VAL A 44 6.642 2.773 -9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.639 3.477 -7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.828 1.899 -6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.603 1.982 -6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.671 4.170 -9.170 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.676 2.702 -9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.608 3.096 -10.588 1.00 0.00 H new ATOM 626 N TRP A 45 9.685 -0.281 -9.900 1.00 0.00 N ATOM 627 CA TRP A 45 10.986 -0.892 -9.656 1.00 0.00 C ATOM 628 C TRP A 45 12.095 0.153 -9.701 1.00 0.00 C ATOM 629 O TRP A 45 12.036 1.102 -10.481 1.00 0.00 O ATOM 630 CB TRP A 45 11.259 -1.988 -10.687 1.00 0.00 C ATOM 631 CG TRP A 45 10.340 -3.165 -10.561 1.00 0.00 C ATOM 632 CD1 TRP A 45 10.568 -4.311 -9.854 1.00 0.00 C ATOM 633 CD2 TRP A 45 9.048 -3.311 -11.160 1.00 0.00 C ATOM 634 NE1 TRP A 45 9.495 -5.161 -9.977 1.00 0.00 N ATOM 635 CE2 TRP A 45 8.549 -4.570 -10.772 1.00 0.00 C ATOM 636 CE3 TRP A 45 8.262 -2.500 -11.983 1.00 0.00 C ATOM 637 CZ2 TRP A 45 7.302 -5.035 -11.183 1.00 0.00 C ATOM 638 CZ3 TRP A 45 7.025 -2.963 -12.390 1.00 0.00 C ATOM 639 CH2 TRP A 45 6.555 -4.221 -11.989 1.00 0.00 C ATOM 0 H TRP A 45 9.379 -0.314 -10.873 1.00 0.00 H new ATOM 0 HA TRP A 45 10.970 -1.335 -8.660 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.163 -1.567 -11.688 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.289 -2.328 -10.581 1.00 0.00 H new ATOM 0 HD1 TRP A 45 11.460 -4.519 -9.282 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.416 -6.082 -9.546 1.00 0.00 H new ATOM 0 HE3 TRP A 45 8.615 -1.528 -12.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.938 -6.004 -10.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.410 -2.345 -13.028 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.584 -4.554 -12.323 1.00 0.00 H new ATOM 650 N GLY A 46 13.108 -0.028 -8.858 1.00 0.00 N ATOM 651 CA GLY A 46 14.217 0.908 -8.819 1.00 0.00 C ATOM 652 C GLY A 46 15.515 0.289 -9.296 1.00 0.00 C ATOM 653 O GLY A 46 15.633 -0.933 -9.379 1.00 0.00 O ATOM 0 H GLY A 46 13.180 -0.806 -8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.981 1.772 -9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.345 1.273 -7.800 1.00 0.00 H new ATOM 657 N GLU A 47 16.491 1.134 -9.612 1.00 0.00 N ATOM 658 CA GLU A 47 17.787 0.662 -10.086 1.00 0.00 C ATOM 659 C GLU A 47 18.425 -0.284 -9.072 1.00 0.00 C ATOM 660 O GLU A 47 19.228 -1.146 -9.430 1.00 0.00 O ATOM 661 CB GLU A 47 18.719 1.845 -10.354 1.00 0.00 C ATOM 662 CG GLU A 47 18.616 2.392 -11.768 1.00 0.00 C ATOM 663 CD GLU A 47 19.493 1.640 -12.750 1.00 0.00 C ATOM 664 OE1 GLU A 47 19.684 0.420 -12.563 1.00 0.00 O ATOM 665 OE2 GLU A 47 19.988 2.272 -13.707 1.00 0.00 O ATOM 0 H GLU A 47 16.409 2.149 -9.548 1.00 0.00 H new ATOM 0 HA GLU A 47 17.629 0.117 -11.016 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.492 2.643 -9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.747 1.536 -10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.579 2.340 -12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.898 3.445 -11.768 1.00 0.00 H new ATOM 672 N CYS A 48 18.064 -0.114 -7.805 1.00 0.00 N ATOM 673 CA CYS A 48 18.601 -0.950 -6.738 1.00 0.00 C ATOM 674 C CYS A 48 17.896 -2.303 -6.699 1.00 0.00 C ATOM 675 O CYS A 48 18.108 -3.099 -5.786 1.00 0.00 O ATOM 676 CB CYS A 48 18.452 -0.247 -5.387 1.00 0.00 C ATOM 677 SG CYS A 48 16.733 0.169 -4.950 1.00 0.00 S ATOM 0 H CYS A 48 17.401 0.595 -7.492 1.00 0.00 H new ATOM 0 HA CYS A 48 19.659 -1.117 -6.939 1.00 0.00 H new ATOM 0 HB2 CYS A 48 18.869 -0.887 -4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 48 19.044 0.668 -5.398 1.00 0.00 H new ATOM 682 N ASN A 49 17.056 -2.555 -7.698 1.00 0.00 N ATOM 683 CA ASN A 49 16.319 -3.811 -7.779 1.00 0.00 C ATOM 684 C ASN A 49 15.350 -3.949 -6.609 1.00 0.00 C ATOM 685 O ASN A 49 15.280 -4.998 -5.967 1.00 0.00 O ATOM 686 CB ASN A 49 17.288 -4.994 -7.795 1.00 0.00 C ATOM 687 CG ASN A 49 17.695 -5.389 -9.202 1.00 0.00 C ATOM 688 OD1 ASN A 49 18.838 -5.183 -9.611 1.00 0.00 O ATOM 689 ND2 ASN A 49 16.758 -5.960 -9.950 1.00 0.00 N ATOM 0 H ASN A 49 16.869 -1.906 -8.462 1.00 0.00 H new ATOM 0 HA ASN A 49 15.744 -3.808 -8.705 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.178 -4.739 -7.220 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.824 -5.847 -7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.973 -6.247 -10.905 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.824 -6.111 -9.570 1.00 0.00 H new ATOM 696 N HIS A 50 14.603 -2.883 -6.337 1.00 0.00 N ATOM 697 CA HIS A 50 13.637 -2.885 -5.245 1.00 0.00 C ATOM 698 C HIS A 50 12.290 -2.339 -5.710 1.00 0.00 C ATOM 699 O HIS A 50 12.191 -1.190 -6.140 1.00 0.00 O ATOM 700 CB HIS A 50 14.159 -2.056 -4.071 1.00 0.00 C ATOM 701 CG HIS A 50 15.258 -2.727 -3.306 1.00 0.00 C ATOM 702 ND1 HIS A 50 16.121 -2.045 -2.475 1.00 0.00 N ATOM 703 CD2 HIS A 50 15.632 -4.027 -3.249 1.00 0.00 C ATOM 704 CE1 HIS A 50 16.979 -2.896 -1.940 1.00 0.00 C ATOM 705 NE2 HIS A 50 16.703 -4.106 -2.394 1.00 0.00 N ATOM 0 H HIS A 50 14.649 -2.007 -6.858 1.00 0.00 H new ATOM 0 HA HIS A 50 13.498 -3.916 -4.918 1.00 0.00 H new ATOM 0 HB2 HIS A 50 14.520 -1.098 -4.445 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.333 -1.842 -3.392 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.173 -4.849 -3.778 1.00 0.00 H new ATOM 0 HE1 HIS A 50 17.771 -2.645 -1.250 1.00 0.00 H new ATOM 0 HE2 HIS A 50 17.204 -4.960 -2.149 1.00 0.00 H new ATOM 713 N SER A 51 11.257 -3.170 -5.621 1.00 0.00 N ATOM 714 CA SER A 51 9.917 -2.771 -6.036 1.00 0.00 C ATOM 715 C SER A 51 9.204 -2.016 -4.919 1.00 0.00 C ATOM 716 O SER A 51 9.337 -2.353 -3.742 1.00 0.00 O ATOM 717 CB SER A 51 9.099 -3.999 -6.440 1.00 0.00 C ATOM 718 OG SER A 51 9.208 -5.026 -5.470 1.00 0.00 O ATOM 0 H SER A 51 11.322 -4.124 -5.265 1.00 0.00 H new ATOM 0 HA SER A 51 10.012 -2.107 -6.895 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.053 -3.719 -6.562 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.444 -4.368 -7.406 1.00 0.00 H new ATOM 0 HG SER A 51 8.675 -5.799 -5.751 1.00 0.00 H new ATOM 724 N PHE A 52 8.446 -0.991 -5.296 1.00 0.00 N ATOM 725 CA PHE A 52 7.711 -0.186 -4.327 1.00 0.00 C ATOM 726 C PHE A 52 6.360 0.244 -4.891 1.00 0.00 C ATOM 727 O PHE A 52 6.015 -0.084 -6.026 1.00 0.00 O ATOM 728 CB PHE A 52 8.528 1.046 -3.933 1.00 0.00 C ATOM 729 CG PHE A 52 9.731 0.724 -3.094 1.00 0.00 C ATOM 730 CD1 PHE A 52 9.619 0.597 -1.718 1.00 0.00 C ATOM 731 CD2 PHE A 52 10.974 0.548 -3.680 1.00 0.00 C ATOM 732 CE1 PHE A 52 10.725 0.302 -0.944 1.00 0.00 C ATOM 733 CE2 PHE A 52 12.084 0.252 -2.910 1.00 0.00 C ATOM 734 CZ PHE A 52 11.959 0.128 -1.540 1.00 0.00 C ATOM 0 H PHE A 52 8.325 -0.698 -6.266 1.00 0.00 H new ATOM 0 HA PHE A 52 7.537 -0.797 -3.441 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.853 1.561 -4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.887 1.737 -3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.657 0.730 -1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.077 0.643 -4.751 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.625 0.207 0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.047 0.118 -3.379 1.00 0.00 H new ATOM 0 HZ PHE A 52 12.824 -0.104 -0.936 1.00 0.00 H new ATOM 744 N HIS A 53 5.598 0.981 -4.088 1.00 0.00 N ATOM 745 CA HIS A 53 4.284 1.457 -4.505 1.00 0.00 C ATOM 746 C HIS A 53 4.380 2.852 -5.115 1.00 0.00 C ATOM 747 O HIS A 53 4.608 3.834 -4.409 1.00 0.00 O ATOM 748 CB HIS A 53 3.323 1.472 -3.317 1.00 0.00 C ATOM 749 CG HIS A 53 2.837 0.111 -2.921 1.00 0.00 C ATOM 750 ND1 HIS A 53 2.873 -0.353 -1.623 1.00 0.00 N ATOM 751 CD2 HIS A 53 2.302 -0.887 -3.662 1.00 0.00 C ATOM 752 CE1 HIS A 53 2.381 -1.578 -1.583 1.00 0.00 C ATOM 753 NE2 HIS A 53 2.027 -1.926 -2.807 1.00 0.00 N ATOM 0 H HIS A 53 5.868 1.261 -3.145 1.00 0.00 H new ATOM 0 HA HIS A 53 3.901 0.774 -5.263 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.820 1.933 -2.464 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.465 2.098 -3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.124 -0.870 -4.727 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.284 -2.191 -0.699 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.616 -2.821 -3.074 1.00 0.00 H new ATOM 761 N ASN A 54 4.206 2.931 -6.430 1.00 0.00 N ATOM 762 CA ASN A 54 4.275 4.206 -7.135 1.00 0.00 C ATOM 763 C ASN A 54 3.666 5.325 -6.296 1.00 0.00 C ATOM 764 O ASN A 54 4.140 6.461 -6.317 1.00 0.00 O ATOM 765 CB ASN A 54 3.550 4.109 -8.479 1.00 0.00 C ATOM 766 CG ASN A 54 2.060 4.356 -8.351 1.00 0.00 C ATOM 767 OD1 ASN A 54 1.357 3.423 -7.720 1.00 0.00 O flip ATOM 768 ND2 ASN A 54 1.546 5.374 -8.815 1.00 0.00 N flip ATOM 0 H ASN A 54 4.016 2.128 -7.029 1.00 0.00 H new ATOM 0 HA ASN A 54 5.325 4.439 -7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.977 4.833 -9.172 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.716 3.121 -8.908 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.124 6.065 -9.293 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.542 5.526 -8.722 1.00 0.00 H new ATOM 775 N CYS A 55 2.612 4.995 -5.556 1.00 0.00 N ATOM 776 CA CYS A 55 1.937 5.971 -4.709 1.00 0.00 C ATOM 777 C CYS A 55 2.774 6.290 -3.473 1.00 0.00 C ATOM 778 O CYS A 55 2.970 7.455 -3.126 1.00 0.00 O ATOM 779 CB CYS A 55 0.563 5.447 -4.286 1.00 0.00 C ATOM 780 SG CYS A 55 0.620 3.890 -3.342 1.00 0.00 S ATOM 0 H CYS A 55 2.207 4.059 -5.526 1.00 0.00 H new ATOM 0 HA CYS A 55 1.808 6.887 -5.285 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.066 6.207 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.047 5.297 -5.177 1.00 0.00 H new ATOM 785 N CYS A 56 3.264 5.247 -2.813 1.00 0.00 N ATOM 786 CA CYS A 56 4.080 5.413 -1.616 1.00 0.00 C ATOM 787 C CYS A 56 5.370 6.163 -1.936 1.00 0.00 C ATOM 788 O CYS A 56 5.595 7.270 -1.448 1.00 0.00 O ATOM 789 CB CYS A 56 4.408 4.051 -1.002 1.00 0.00 C ATOM 790 SG CYS A 56 2.955 3.152 -0.369 1.00 0.00 S ATOM 0 H CYS A 56 3.110 4.277 -3.087 1.00 0.00 H new ATOM 0 HA CYS A 56 3.508 5.999 -0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.904 3.436 -1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.118 4.193 -0.187 1.00 0.00 H new ATOM 795 N MET A 57 6.214 5.550 -2.760 1.00 0.00 N ATOM 796 CA MET A 57 7.481 6.160 -3.148 1.00 0.00 C ATOM 797 C MET A 57 7.322 7.664 -3.348 1.00 0.00 C ATOM 798 O MET A 57 8.035 8.459 -2.737 1.00 0.00 O ATOM 799 CB MET A 57 8.010 5.516 -4.431 1.00 0.00 C ATOM 800 CG MET A 57 9.120 6.312 -5.098 1.00 0.00 C ATOM 801 SD MET A 57 10.462 6.717 -3.964 1.00 0.00 S ATOM 802 CE MET A 57 10.773 5.117 -3.223 1.00 0.00 C ATOM 0 H MET A 57 6.044 4.632 -3.172 1.00 0.00 H new ATOM 0 HA MET A 57 8.197 5.992 -2.344 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.379 4.517 -4.201 1.00 0.00 H new ATOM 0 HB3 MET A 57 7.186 5.397 -5.135 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.518 5.741 -5.937 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.705 7.233 -5.508 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.815 5.058 -2.909 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.125 4.985 -2.356 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.568 4.333 -3.952 1.00 0.00 H new ATOM 812 N SER A 58 6.384 8.045 -4.209 1.00 0.00 N ATOM 813 CA SER A 58 6.134 9.454 -4.492 1.00 0.00 C ATOM 814 C SER A 58 5.977 10.249 -3.200 1.00 0.00 C ATOM 815 O SER A 58 6.421 11.394 -3.103 1.00 0.00 O ATOM 816 CB SER A 58 4.880 9.608 -5.355 1.00 0.00 C ATOM 817 OG SER A 58 3.705 9.505 -4.570 1.00 0.00 O ATOM 0 H SER A 58 5.785 7.399 -4.722 1.00 0.00 H new ATOM 0 HA SER A 58 6.992 9.847 -5.037 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.899 10.573 -5.861 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.872 8.842 -6.130 1.00 0.00 H new ATOM 0 HG SER A 58 3.570 8.572 -4.304 1.00 0.00 H new ATOM 823 N LEU A 59 5.341 9.634 -2.209 1.00 0.00 N ATOM 824 CA LEU A 59 5.124 10.283 -0.920 1.00 0.00 C ATOM 825 C LEU A 59 6.342 10.122 -0.017 1.00 0.00 C ATOM 826 O LEU A 59 6.584 10.943 0.868 1.00 0.00 O ATOM 827 CB LEU A 59 3.886 9.700 -0.236 1.00 0.00 C ATOM 828 CG LEU A 59 2.592 9.731 -1.049 1.00 0.00 C ATOM 829 CD1 LEU A 59 1.567 8.776 -0.457 1.00 0.00 C ATOM 830 CD2 LEU A 59 2.034 11.145 -1.111 1.00 0.00 C ATOM 0 H LEU A 59 4.967 8.687 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 59 4.966 11.347 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.098 8.665 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.720 10.243 0.694 1.00 0.00 H new ATOM 0 HG LEU A 59 2.816 9.406 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.652 8.811 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.966 7.762 -0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.347 9.069 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.113 11.147 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.825 11.498 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.763 11.804 -1.583 1.00 0.00 H new ATOM 842 N TRP A 60 7.106 9.060 -0.247 1.00 0.00 N ATOM 843 CA TRP A 60 8.301 8.793 0.545 1.00 0.00 C ATOM 844 C TRP A 60 9.406 9.790 0.217 1.00 0.00 C ATOM 845 O TRP A 60 10.021 10.368 1.113 1.00 0.00 O ATOM 846 CB TRP A 60 8.794 7.366 0.295 1.00 0.00 C ATOM 847 CG TRP A 60 10.147 7.095 0.881 1.00 0.00 C ATOM 848 CD1 TRP A 60 11.348 7.160 0.235 1.00 0.00 C ATOM 849 CD2 TRP A 60 10.435 6.712 2.231 1.00 0.00 C ATOM 850 NE1 TRP A 60 12.366 6.842 1.102 1.00 0.00 N ATOM 851 CE2 TRP A 60 11.832 6.564 2.332 1.00 0.00 C ATOM 852 CE3 TRP A 60 9.649 6.483 3.363 1.00 0.00 C ATOM 853 CZ2 TRP A 60 12.457 6.195 3.521 1.00 0.00 C ATOM 854 CZ3 TRP A 60 10.271 6.117 4.542 1.00 0.00 C ATOM 855 CH2 TRP A 60 11.663 5.977 4.614 1.00 0.00 C ATOM 0 H TRP A 60 6.919 8.370 -0.975 1.00 0.00 H new ATOM 0 HA TRP A 60 8.041 8.902 1.598 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.076 6.662 0.716 1.00 0.00 H new ATOM 0 HB3 TRP A 60 8.828 7.184 -0.779 1.00 0.00 H new ATOM 0 HD1 TRP A 60 11.479 7.423 -0.804 1.00 0.00 H new ATOM 0 HE1 TRP A 60 13.358 6.817 0.867 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.575 6.590 3.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 13.530 6.085 3.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 9.673 5.936 5.423 1.00 0.00 H new ATOM 0 HH2 TRP A 60 12.119 5.691 5.551 1.00 0.00 H new ATOM 866 N VAL A 61 9.654 9.990 -1.074 1.00 0.00 N ATOM 867 CA VAL A 61 10.685 10.919 -1.520 1.00 0.00 C ATOM 868 C VAL A 61 10.456 12.312 -0.943 1.00 0.00 C ATOM 869 O VAL A 61 11.393 13.095 -0.791 1.00 0.00 O ATOM 870 CB VAL A 61 10.729 11.013 -3.057 1.00 0.00 C ATOM 871 CG1 VAL A 61 11.301 9.737 -3.654 1.00 0.00 C ATOM 872 CG2 VAL A 61 9.342 11.296 -3.613 1.00 0.00 C ATOM 0 H VAL A 61 9.154 9.521 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 61 11.638 10.531 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 61 11.383 11.840 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.324 9.822 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.313 9.582 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.676 8.890 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.392 11.359 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.664 10.492 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.975 12.240 -3.211 1.00 0.00 H new ATOM 882 N LYS A 62 9.202 12.614 -0.622 1.00 0.00 N ATOM 883 CA LYS A 62 8.848 13.912 -0.060 1.00 0.00 C ATOM 884 C LYS A 62 9.631 14.182 1.222 1.00 0.00 C ATOM 885 O LYS A 62 9.945 15.329 1.537 1.00 0.00 O ATOM 886 CB LYS A 62 7.346 13.975 0.225 1.00 0.00 C ATOM 887 CG LYS A 62 6.489 13.991 -1.029 1.00 0.00 C ATOM 888 CD LYS A 62 5.154 14.674 -0.783 1.00 0.00 C ATOM 889 CE LYS A 62 4.383 14.002 0.342 1.00 0.00 C ATOM 890 NZ LYS A 62 2.925 14.296 0.268 1.00 0.00 N ATOM 0 H LYS A 62 8.414 11.977 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 62 9.106 14.679 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.064 13.118 0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.133 14.869 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.021 14.507 -1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.319 12.969 -1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.321 15.722 -0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.559 14.653 -1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.539 12.924 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.773 14.340 1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.435 13.820 1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.774 15.323 0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.547 13.951 -0.637 1.00 0.00 H new ATOM 904 N GLN A 63 9.943 13.117 1.954 1.00 0.00 N ATOM 905 CA GLN A 63 10.690 13.240 3.200 1.00 0.00 C ATOM 906 C GLN A 63 12.093 12.661 3.054 1.00 0.00 C ATOM 907 O GLN A 63 13.070 13.253 3.512 1.00 0.00 O ATOM 908 CB GLN A 63 9.949 12.532 4.336 1.00 0.00 C ATOM 909 CG GLN A 63 8.556 13.085 4.592 1.00 0.00 C ATOM 910 CD GLN A 63 7.784 12.271 5.611 1.00 0.00 C ATOM 911 OE1 GLN A 63 8.363 11.708 6.540 1.00 0.00 O ATOM 912 NE2 GLN A 63 6.468 12.206 5.443 1.00 0.00 N ATOM 0 H GLN A 63 9.690 12.160 1.706 1.00 0.00 H new ATOM 0 HA GLN A 63 10.778 14.300 3.438 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.872 11.470 4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.537 12.615 5.250 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.636 14.115 4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.000 13.108 3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.030 12.688 4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.896 11.674 6.099 1.00 0.00 H new ATOM 921 N ASN A 64 12.185 11.501 2.412 1.00 0.00 N ATOM 922 CA ASN A 64 13.469 10.841 2.206 1.00 0.00 C ATOM 923 C ASN A 64 13.606 10.355 0.766 1.00 0.00 C ATOM 924 O ASN A 64 13.037 9.332 0.389 1.00 0.00 O ATOM 925 CB ASN A 64 13.621 9.663 3.170 1.00 0.00 C ATOM 926 CG ASN A 64 13.431 10.073 4.618 1.00 0.00 C ATOM 927 OD1 ASN A 64 14.290 10.729 5.207 1.00 0.00 O ATOM 928 ND2 ASN A 64 12.301 9.686 5.199 1.00 0.00 N ATOM 0 H ASN A 64 11.386 10.999 2.025 1.00 0.00 H new ATOM 0 HA ASN A 64 14.258 11.567 2.403 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.894 8.892 2.915 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.610 9.221 3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.118 9.932 6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.617 9.143 4.672 1.00 0.00 H new ATOM 935 N ASN A 65 14.366 11.097 -0.033 1.00 0.00 N ATOM 936 CA ASN A 65 14.579 10.742 -1.431 1.00 0.00 C ATOM 937 C ASN A 65 15.616 9.631 -1.559 1.00 0.00 C ATOM 938 O ASN A 65 16.518 9.703 -2.394 1.00 0.00 O ATOM 939 CB ASN A 65 15.027 11.968 -2.228 1.00 0.00 C ATOM 940 CG ASN A 65 14.024 13.103 -2.157 1.00 0.00 C ATOM 941 OD1 ASN A 65 13.792 13.676 -1.092 1.00 0.00 O ATOM 942 ND2 ASN A 65 13.422 13.433 -3.294 1.00 0.00 N ATOM 0 H ASN A 65 14.844 11.948 0.264 1.00 0.00 H new ATOM 0 HA ASN A 65 13.634 10.380 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 65 15.989 12.313 -1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.178 11.685 -3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.737 14.188 -3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.645 12.931 -4.153 1.00 0.00 H new ATOM 949 N ARG A 66 15.482 8.604 -0.726 1.00 0.00 N ATOM 950 CA ARG A 66 16.408 7.478 -0.745 1.00 0.00 C ATOM 951 C ARG A 66 15.693 6.180 -0.380 1.00 0.00 C ATOM 952 O ARG A 66 14.952 6.122 0.601 1.00 0.00 O ATOM 953 CB ARG A 66 17.565 7.726 0.225 1.00 0.00 C ATOM 954 CG ARG A 66 18.321 9.016 -0.044 1.00 0.00 C ATOM 955 CD ARG A 66 19.139 9.446 1.163 1.00 0.00 C ATOM 956 NE ARG A 66 19.646 10.808 1.024 1.00 0.00 N ATOM 957 CZ ARG A 66 19.976 11.578 2.056 1.00 0.00 C ATOM 958 NH1 ARG A 66 19.852 11.122 3.294 1.00 0.00 N ATOM 959 NH2 ARG A 66 20.430 12.808 1.849 1.00 0.00 N ATOM 0 H ARG A 66 14.741 8.529 -0.029 1.00 0.00 H new ATOM 0 HA ARG A 66 16.804 7.382 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 66 17.176 7.749 1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 66 18.261 6.889 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.980 8.880 -0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.615 9.804 -0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 66 18.524 9.378 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 66 19.975 8.760 1.297 1.00 0.00 H new ATOM 0 HE ARG A 66 19.753 11.189 0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 66 19.503 10.178 3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 66 20.106 11.715 4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 66 20.526 13.163 0.898 1.00 0.00 H new ATOM 0 HH22 ARG A 66 20.683 13.398 2.641 1.00 0.00 H new ATOM 973 N CYS A 67 15.920 5.142 -1.178 1.00 0.00 N ATOM 974 CA CYS A 67 15.298 3.845 -0.941 1.00 0.00 C ATOM 975 C CYS A 67 15.356 3.476 0.538 1.00 0.00 C ATOM 976 O CYS A 67 16.425 3.411 1.146 1.00 0.00 O ATOM 977 CB CYS A 67 15.990 2.765 -1.775 1.00 0.00 C ATOM 978 SG CYS A 67 15.042 1.216 -1.919 1.00 0.00 S ATOM 0 H CYS A 67 16.530 5.174 -1.995 1.00 0.00 H new ATOM 0 HA CYS A 67 14.252 3.911 -1.240 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.178 3.158 -2.774 1.00 0.00 H new ATOM 0 HB3 CYS A 67 16.961 2.544 -1.331 1.00 0.00 H new ATOM 983 N PRO A 68 14.179 3.228 1.132 1.00 0.00 N ATOM 984 CA PRO A 68 14.069 2.860 2.547 1.00 0.00 C ATOM 985 C PRO A 68 14.616 1.465 2.828 1.00 0.00 C ATOM 986 O PRO A 68 14.497 0.953 3.942 1.00 0.00 O ATOM 987 CB PRO A 68 12.561 2.906 2.808 1.00 0.00 C ATOM 988 CG PRO A 68 11.938 2.667 1.477 1.00 0.00 C ATOM 989 CD PRO A 68 12.866 3.287 0.468 1.00 0.00 C ATOM 0 HA PRO A 68 14.648 3.526 3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.261 2.145 3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.260 3.870 3.219 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.814 1.600 1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.947 3.117 1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.865 2.734 -0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.579 4.312 0.235 1.00 0.00 H new ATOM 997 N LEU A 69 15.216 0.854 1.812 1.00 0.00 N ATOM 998 CA LEU A 69 15.782 -0.483 1.950 1.00 0.00 C ATOM 999 C LEU A 69 17.305 -0.441 1.864 1.00 0.00 C ATOM 1000 O LEU A 69 18.000 -1.089 2.646 1.00 0.00 O ATOM 1001 CB LEU A 69 15.224 -1.409 0.868 1.00 0.00 C ATOM 1002 CG LEU A 69 13.758 -1.814 1.022 1.00 0.00 C ATOM 1003 CD1 LEU A 69 13.326 -2.703 -0.134 1.00 0.00 C ATOM 1004 CD2 LEU A 69 13.537 -2.520 2.352 1.00 0.00 C ATOM 0 H LEU A 69 15.323 1.263 0.884 1.00 0.00 H new ATOM 0 HA LEU A 69 15.502 -0.870 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.345 -0.920 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.830 -2.315 0.845 1.00 0.00 H new ATOM 0 HG LEU A 69 13.148 -0.911 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.280 -2.981 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.447 -2.163 -1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.941 -3.603 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.488 -2.801 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.158 -3.415 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.807 -1.850 3.169 1.00 0.00 H new ATOM 1016 N CYS A 70 17.817 0.328 0.908 1.00 0.00 N ATOM 1017 CA CYS A 70 19.257 0.457 0.720 1.00 0.00 C ATOM 1018 C CYS A 70 19.686 1.920 0.796 1.00 0.00 C ATOM 1019 O CYS A 70 20.808 2.266 0.429 1.00 0.00 O ATOM 1020 CB CYS A 70 19.672 -0.138 -0.627 1.00 0.00 C ATOM 1021 SG CYS A 70 18.763 0.542 -2.052 1.00 0.00 S ATOM 0 H CYS A 70 17.256 0.871 0.252 1.00 0.00 H new ATOM 0 HA CYS A 70 19.754 -0.092 1.520 1.00 0.00 H new ATOM 0 HB2 CYS A 70 20.738 0.033 -0.775 1.00 0.00 H new ATOM 0 HB3 CYS A 70 19.524 -1.217 -0.597 1.00 0.00 H new ATOM 1026 N GLN A 71 18.785 2.771 1.275 1.00 0.00 N ATOM 1027 CA GLN A 71 19.071 4.196 1.399 1.00 0.00 C ATOM 1028 C GLN A 71 19.992 4.665 0.277 1.00 0.00 C ATOM 1029 O GLN A 71 20.876 5.493 0.495 1.00 0.00 O ATOM 1030 CB GLN A 71 19.708 4.493 2.757 1.00 0.00 C ATOM 1031 CG GLN A 71 20.678 3.420 3.222 1.00 0.00 C ATOM 1032 CD GLN A 71 19.974 2.166 3.702 1.00 0.00 C ATOM 1033 OE1 GLN A 71 20.322 1.054 3.303 1.00 0.00 O ATOM 1034 NE2 GLN A 71 18.978 2.338 4.562 1.00 0.00 N ATOM 0 H GLN A 71 17.851 2.499 1.583 1.00 0.00 H new ATOM 0 HA GLN A 71 18.129 4.739 1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 71 20.233 5.446 2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 71 18.920 4.606 3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.350 3.164 2.403 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.294 3.817 4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.723 3.278 4.866 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.467 1.530 4.919 1.00 0.00 H new ATOM 1043 N GLN A 72 19.778 4.130 -0.920 1.00 0.00 N ATOM 1044 CA GLN A 72 20.591 4.495 -2.075 1.00 0.00 C ATOM 1045 C GLN A 72 19.820 5.417 -3.014 1.00 0.00 C ATOM 1046 O GLN A 72 18.590 5.389 -3.056 1.00 0.00 O ATOM 1047 CB GLN A 72 21.038 3.240 -2.827 1.00 0.00 C ATOM 1048 CG GLN A 72 22.234 2.546 -2.196 1.00 0.00 C ATOM 1049 CD GLN A 72 23.063 1.778 -3.206 1.00 0.00 C ATOM 1050 OE1 GLN A 72 22.544 0.941 -3.945 1.00 0.00 O ATOM 1051 NE2 GLN A 72 24.360 2.059 -3.243 1.00 0.00 N ATOM 0 H GLN A 72 19.050 3.443 -1.116 1.00 0.00 H new ATOM 0 HA GLN A 72 21.471 5.027 -1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 72 20.205 2.539 -2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.285 3.510 -3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.863 3.289 -1.705 1.00 0.00 H new ATOM 0 HG3 GLN A 72 21.886 1.862 -1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.748 2.760 -2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 72 24.968 1.574 -3.902 1.00 0.00 H new ATOM 1060 N ASP A 73 20.551 6.234 -3.765 1.00 0.00 N ATOM 1061 CA ASP A 73 19.936 7.165 -4.704 1.00 0.00 C ATOM 1062 C ASP A 73 18.804 6.492 -5.473 1.00 0.00 C ATOM 1063 O ASP A 73 19.042 5.767 -6.439 1.00 0.00 O ATOM 1064 CB ASP A 73 20.983 7.703 -5.680 1.00 0.00 C ATOM 1065 CG ASP A 73 20.451 8.840 -6.530 1.00 0.00 C ATOM 1066 OD1 ASP A 73 19.234 8.852 -6.809 1.00 0.00 O ATOM 1067 OD2 ASP A 73 21.252 9.717 -6.918 1.00 0.00 O ATOM 0 H ASP A 73 21.570 6.270 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 73 19.520 7.996 -4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.853 8.047 -5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 73 21.320 6.895 -6.329 1.00 0.00 H new ATOM 1072 N TRP A 74 17.573 6.736 -5.038 1.00 0.00 N ATOM 1073 CA TRP A 74 16.404 6.152 -5.686 1.00 0.00 C ATOM 1074 C TRP A 74 16.320 6.581 -7.146 1.00 0.00 C ATOM 1075 O TRP A 74 16.307 7.774 -7.453 1.00 0.00 O ATOM 1076 CB TRP A 74 15.129 6.561 -4.947 1.00 0.00 C ATOM 1077 CG TRP A 74 13.877 6.049 -5.593 1.00 0.00 C ATOM 1078 CD1 TRP A 74 12.889 6.794 -6.169 1.00 0.00 C ATOM 1079 CD2 TRP A 74 13.481 4.680 -5.726 1.00 0.00 C ATOM 1080 NE1 TRP A 74 11.901 5.970 -6.653 1.00 0.00 N ATOM 1081 CE2 TRP A 74 12.241 4.669 -6.395 1.00 0.00 C ATOM 1082 CE3 TRP A 74 14.053 3.462 -5.349 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 11.565 3.488 -6.691 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 13.381 2.291 -5.643 1.00 0.00 C ATOM 1085 CH2 TRP A 74 12.149 2.310 -6.309 1.00 0.00 C ATOM 0 H TRP A 74 17.358 7.334 -4.240 1.00 0.00 H new ATOM 0 HA TRP A 74 16.504 5.067 -5.651 1.00 0.00 H new ATOM 0 HB2 TRP A 74 15.177 6.192 -3.922 1.00 0.00 H new ATOM 0 HB3 TRP A 74 15.082 7.649 -4.892 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.884 7.872 -6.235 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.052 6.278 -7.127 1.00 0.00 H new ATOM 0 HE3 TRP A 74 15.004 3.436 -4.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.614 3.501 -7.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.813 1.344 -5.354 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.650 1.377 -6.525 1.00 0.00 H new ATOM 1096 N VAL A 75 16.262 5.603 -8.044 1.00 0.00 N ATOM 1097 CA VAL A 75 16.177 5.880 -9.473 1.00 0.00 C ATOM 1098 C VAL A 75 15.108 5.021 -10.137 1.00 0.00 C ATOM 1099 O VAL A 75 15.333 3.847 -10.432 1.00 0.00 O ATOM 1100 CB VAL A 75 17.527 5.633 -10.173 1.00 0.00 C ATOM 1101 CG1 VAL A 75 17.403 5.871 -11.671 1.00 0.00 C ATOM 1102 CG2 VAL A 75 18.608 6.518 -9.572 1.00 0.00 C ATOM 0 H VAL A 75 16.272 4.611 -7.807 1.00 0.00 H new ATOM 0 HA VAL A 75 15.909 6.931 -9.576 1.00 0.00 H new ATOM 0 HB VAL A 75 17.813 4.593 -10.017 1.00 0.00 H new ATOM 0 HG11 VAL A 75 18.366 5.692 -12.149 1.00 0.00 H new ATOM 0 HG12 VAL A 75 16.659 5.191 -12.087 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.094 6.901 -11.851 1.00 0.00 H new ATOM 0 HG21 VAL A 75 19.555 6.330 -10.078 1.00 0.00 H new ATOM 0 HG22 VAL A 75 18.331 7.565 -9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 75 18.713 6.294 -8.511 1.00 0.00 H new ATOM 1112 N VAL A 76 13.941 5.614 -10.371 1.00 0.00 N ATOM 1113 CA VAL A 76 12.836 4.903 -11.003 1.00 0.00 C ATOM 1114 C VAL A 76 13.287 4.212 -12.284 1.00 0.00 C ATOM 1115 O VAL A 76 13.405 4.846 -13.333 1.00 0.00 O ATOM 1116 CB VAL A 76 11.670 5.855 -11.329 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.562 5.112 -12.059 1.00 0.00 C ATOM 1118 CG2 VAL A 76 11.140 6.503 -10.058 1.00 0.00 C ATOM 0 H VAL A 76 13.737 6.584 -10.132 1.00 0.00 H new ATOM 0 HA VAL A 76 12.494 4.152 -10.291 1.00 0.00 H new ATOM 0 HB VAL A 76 12.040 6.643 -11.985 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.747 5.801 -12.281 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.952 4.700 -12.990 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.192 4.302 -11.430 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.317 7.172 -10.307 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.786 5.730 -9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.938 7.071 -9.579 1.00 0.00 H new ATOM 1128 N GLN A 77 13.537 2.910 -12.192 1.00 0.00 N ATOM 1129 CA GLN A 77 13.976 2.133 -13.345 1.00 0.00 C ATOM 1130 C GLN A 77 12.816 1.879 -14.303 1.00 0.00 C ATOM 1131 O GLN A 77 12.891 2.213 -15.486 1.00 0.00 O ATOM 1132 CB GLN A 77 14.579 0.803 -12.891 1.00 0.00 C ATOM 1133 CG GLN A 77 15.023 -0.087 -14.040 1.00 0.00 C ATOM 1134 CD GLN A 77 16.146 -1.028 -13.649 1.00 0.00 C ATOM 1135 OE1 GLN A 77 17.238 -0.979 -14.216 1.00 0.00 O ATOM 1136 NE2 GLN A 77 15.883 -1.892 -12.675 1.00 0.00 N ATOM 0 H GLN A 77 13.443 2.371 -11.331 1.00 0.00 H new ATOM 0 HA GLN A 77 14.738 2.708 -13.870 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.434 1.003 -12.246 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.845 0.267 -12.290 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.172 -0.670 -14.393 1.00 0.00 H new ATOM 0 HG3 GLN A 77 15.350 0.536 -14.872 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.964 -1.898 -12.233 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.600 -2.550 -12.369 1.00 0.00 H new ATOM 1145 N ARG A 78 11.746 1.285 -13.785 1.00 0.00 N ATOM 1146 CA ARG A 78 10.572 0.985 -14.595 1.00 0.00 C ATOM 1147 C ARG A 78 9.314 0.939 -13.732 1.00 0.00 C ATOM 1148 O ARG A 78 9.381 0.661 -12.534 1.00 0.00 O ATOM 1149 CB ARG A 78 10.755 -0.349 -15.321 1.00 0.00 C ATOM 1150 CG ARG A 78 10.808 -1.548 -14.388 1.00 0.00 C ATOM 1151 CD ARG A 78 11.157 -2.823 -15.139 1.00 0.00 C ATOM 1152 NE ARG A 78 12.556 -2.847 -15.558 1.00 0.00 N ATOM 1153 CZ ARG A 78 13.178 -3.941 -15.981 1.00 0.00 C ATOM 1154 NH1 ARG A 78 12.528 -5.096 -16.041 1.00 0.00 N ATOM 1155 NH2 ARG A 78 14.452 -3.882 -16.346 1.00 0.00 N ATOM 0 H ARG A 78 11.668 1.002 -12.808 1.00 0.00 H new ATOM 0 HA ARG A 78 10.457 1.779 -15.333 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.935 -0.484 -16.027 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.675 -0.312 -15.904 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.547 -1.370 -13.607 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.844 -1.668 -13.893 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.954 -3.685 -14.503 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.515 -2.915 -16.015 1.00 0.00 H new ATOM 0 HE ARG A 78 13.084 -1.975 -15.524 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.548 -5.145 -15.762 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.008 -5.935 -16.366 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.955 -2.996 -16.302 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.929 -4.723 -16.671 1.00 0.00 H new ATOM 1169 N ILE A 79 8.170 1.213 -14.349 1.00 0.00 N ATOM 1170 CA ILE A 79 6.897 1.202 -13.638 1.00 0.00 C ATOM 1171 C ILE A 79 5.894 0.277 -14.319 1.00 0.00 C ATOM 1172 O ILE A 79 5.865 0.170 -15.545 1.00 0.00 O ATOM 1173 CB ILE A 79 6.293 2.615 -13.543 1.00 0.00 C ATOM 1174 CG1 ILE A 79 7.261 3.561 -12.829 1.00 0.00 C ATOM 1175 CG2 ILE A 79 4.956 2.572 -12.819 1.00 0.00 C ATOM 1176 CD1 ILE A 79 7.118 5.005 -13.254 1.00 0.00 C ATOM 0 H ILE A 79 8.098 1.445 -15.340 1.00 0.00 H new ATOM 0 HA ILE A 79 7.101 0.835 -12.632 1.00 0.00 H new ATOM 0 HB ILE A 79 6.126 2.991 -14.552 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.099 3.490 -11.753 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.283 3.234 -13.020 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.542 3.578 -12.760 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.267 1.928 -13.365 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.100 2.179 -11.812 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.835 5.618 -12.708 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.309 5.090 -14.324 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.107 5.350 -13.038 1.00 0.00 H new ATOM 1188 N GLY A 80 5.071 -0.390 -13.516 1.00 0.00 N ATOM 1189 CA GLY A 80 4.076 -1.296 -14.059 1.00 0.00 C ATOM 1190 C GLY A 80 3.692 -2.389 -13.082 1.00 0.00 C ATOM 1191 O GLY A 80 4.272 -2.498 -12.001 1.00 0.00 O ATOM 0 H GLY A 80 5.076 -0.319 -12.498 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.186 -0.730 -14.335 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.461 -1.749 -14.973 1.00 0.00 H new ATOM 1195 N LYS A 81 2.712 -3.201 -13.461 1.00 0.00 N ATOM 1196 CA LYS A 81 2.249 -4.292 -12.611 1.00 0.00 C ATOM 1197 C LYS A 81 3.363 -5.308 -12.375 1.00 0.00 C ATOM 1198 O LYS A 81 3.288 -6.071 -11.413 1.00 0.00 O ATOM 1199 CB LYS A 81 1.040 -4.983 -13.245 1.00 0.00 C ATOM 1200 CG LYS A 81 -0.289 -4.359 -12.857 1.00 0.00 C ATOM 1201 CD LYS A 81 -0.745 -4.826 -11.485 1.00 0.00 C ATOM 1202 CE LYS A 81 -2.222 -4.540 -11.261 1.00 0.00 C ATOM 1203 NZ LYS A 81 -2.587 -4.599 -9.818 1.00 0.00 N ATOM 0 H LYS A 81 2.222 -3.125 -14.352 1.00 0.00 H new ATOM 0 HA LYS A 81 1.955 -3.871 -11.650 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.143 -4.954 -14.330 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.038 -6.033 -12.953 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.197 -3.273 -12.861 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.044 -4.617 -13.600 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.561 -5.896 -11.384 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.156 -4.327 -10.715 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.465 -3.554 -11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.820 -5.263 -11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.602 -4.398 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.379 -5.548 -9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.035 -3.892 -9.291 1.00 0.00 H new TER 1217 LYS A 81 HETATM 1218 ZN ZN A 201 3.448 0.845 -0.077 1.00 0.00 ZN HETATM 1219 ZN ZN A 401 -1.159 2.649 -3.046 1.00 0.00 ZN HETATM 1220 ZN ZN A 601 16.785 -0.272 -2.602 1.00 0.00 ZN