USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot 105:sc= 1.13 USER MOD Set 1.2: A 75 MET CE :methyl 180:sc= -0.0645 (180deg=0) USER MOD Set 2.1: A 17 SER OG : rot -143:sc= 0.0531 USER MOD Set 2.2: A 47 HIS : no HE2:sc= 0.436 K(o=0.49,f=-5.2!) USER MOD Set 3.1: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 12 TYR OH : rot -142:sc= 1.15 USER MOD Set 3.3: A 48 GLN : amide:sc= 0.0762 K(o=1.2,f=-1.7) USER MOD Single : A 1 LYS N :NH3+ 133:sc= 0.00825 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -178:sc= 0.294 (180deg=0.291) USER MOD Single : A 3 THR OG1 : rot -27:sc= 0.28 USER MOD Single : A 5 GLN : amide:sc= 0.813 K(o=0.81,f=-3.6!) USER MOD Single : A 9 ASN : amide:sc= 1.31 K(o=1.3,f=-0.18) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 2.01 (180deg=1.81) USER MOD Single : A 14 SER OG : rot 180:sc= 0.11 USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0.573 (180deg=0.554) USER MOD Single : A 22 LYS NZ :NH3+ 157:sc= 1.4 (180deg=0.771) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= 1.34 (180deg=1.15) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= 1.11 (180deg=0.411) USER MOD Single : A 38 ASN : amide:sc= 2.13 K(o=2.1,f=-5.1!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0515 K(o=-0.052,f=-8!) USER MOD Single : A 60 LYS NZ :NH3+ -173:sc=-0.00192 (180deg=-0.0749) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0886) USER MOD Single : A 66 SER OG : rot -43:sc= 0.131 USER MOD Single : A 74 ASN : amide:sc= 0.454 K(o=0.45,f=-1.3) USER MOD Single : A 79 TYR OH : rot 14:sc= 1.23 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 84 ASN :FLIP amide:sc= 1.07 F(o=-0.68,f=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.268 12.043 -16.267 1.00 0.00 N ATOM 2 CA LYS A 1 0.700 11.976 -14.909 1.00 0.00 C ATOM 3 C LYS A 1 1.478 10.965 -14.063 1.00 0.00 C ATOM 4 O LYS A 1 1.789 9.874 -14.540 1.00 0.00 O ATOM 5 CB LYS A 1 -0.793 11.616 -14.972 1.00 0.00 C ATOM 6 CG LYS A 1 -1.467 11.560 -13.591 1.00 0.00 C ATOM 7 CD LYS A 1 -2.977 11.333 -13.748 1.00 0.00 C ATOM 8 CE LYS A 1 -3.693 11.248 -12.393 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.355 10.016 -11.656 1.00 0.00 N ATOM 0 H1 LYS A 1 0.500 11.998 -16.967 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.789 12.936 -16.382 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.916 11.243 -16.412 1.00 0.00 H new ATOM 0 HA LYS A 1 0.789 12.954 -14.437 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -1.310 12.349 -15.591 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.906 10.649 -15.462 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -1.031 10.757 -12.997 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -1.286 12.490 -13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.406 12.146 -14.334 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.149 10.413 -14.306 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.426 12.115 -11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.771 11.290 -12.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.888 9.988 -10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.602 9.187 -12.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.336 10.003 -11.451 1.00 0.00 H new ATOM 25 N ALA A 2 1.765 11.330 -12.805 1.00 0.00 N ATOM 26 CA ALA A 2 2.301 10.412 -11.810 1.00 0.00 C ATOM 27 C ALA A 2 1.376 9.196 -11.776 1.00 0.00 C ATOM 28 O ALA A 2 0.253 9.281 -11.280 1.00 0.00 O ATOM 29 CB ALA A 2 2.371 11.104 -10.449 1.00 0.00 C ATOM 0 H ALA A 2 1.628 12.278 -12.455 1.00 0.00 H new ATOM 0 HA ALA A 2 3.314 10.098 -12.061 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.773 10.412 -9.709 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.019 11.978 -10.518 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.371 11.417 -10.148 1.00 0.00 H new ATOM 35 N THR A 3 1.842 8.093 -12.357 1.00 0.00 N ATOM 36 CA THR A 3 1.063 6.907 -12.657 1.00 0.00 C ATOM 37 C THR A 3 0.732 6.057 -11.425 1.00 0.00 C ATOM 38 O THR A 3 1.078 4.881 -11.349 1.00 0.00 O ATOM 39 CB THR A 3 1.813 6.151 -13.766 1.00 0.00 C ATOM 40 OG1 THR A 3 2.507 7.085 -14.585 1.00 0.00 O ATOM 41 CG2 THR A 3 0.860 5.331 -14.639 1.00 0.00 C ATOM 0 H THR A 3 2.817 8.003 -12.642 1.00 0.00 H new ATOM 0 HA THR A 3 0.071 7.187 -13.012 1.00 0.00 H new ATOM 0 HB THR A 3 2.512 5.464 -13.289 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.047 7.950 -14.557 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.429 4.812 -15.410 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.337 4.601 -14.021 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.134 5.995 -15.108 1.00 0.00 H new ATOM 49 N MET A 4 0.034 6.672 -10.470 1.00 0.00 N ATOM 50 CA MET A 4 -0.597 6.066 -9.310 1.00 0.00 C ATOM 51 C MET A 4 -1.873 6.891 -9.092 1.00 0.00 C ATOM 52 O MET A 4 -2.216 7.716 -9.942 1.00 0.00 O ATOM 53 CB MET A 4 0.333 6.075 -8.085 1.00 0.00 C ATOM 54 CG MET A 4 1.726 5.492 -8.348 1.00 0.00 C ATOM 55 SD MET A 4 2.769 5.413 -6.871 1.00 0.00 S ATOM 56 CE MET A 4 4.347 4.945 -7.614 1.00 0.00 C ATOM 0 H MET A 4 -0.113 7.681 -10.494 1.00 0.00 H new ATOM 0 HA MET A 4 -0.825 5.011 -9.464 1.00 0.00 H new ATOM 0 HB2 MET A 4 0.442 7.101 -7.733 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.139 5.510 -7.281 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.619 4.489 -8.761 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.227 6.096 -9.104 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.103 4.854 -6.834 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.238 3.990 -8.128 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.653 5.709 -8.329 1.00 0.00 H new ATOM 66 N GLN A 5 -2.581 6.704 -7.977 1.00 0.00 N ATOM 67 CA GLN A 5 -3.900 7.299 -7.753 1.00 0.00 C ATOM 68 C GLN A 5 -3.859 8.800 -7.390 1.00 0.00 C ATOM 69 O GLN A 5 -4.521 9.244 -6.456 1.00 0.00 O ATOM 70 CB GLN A 5 -4.723 6.410 -6.797 1.00 0.00 C ATOM 71 CG GLN A 5 -4.332 6.385 -5.307 1.00 0.00 C ATOM 72 CD GLN A 5 -2.874 6.028 -5.031 1.00 0.00 C ATOM 73 OE1 GLN A 5 -2.316 5.144 -5.676 1.00 0.00 O ATOM 74 NE2 GLN A 5 -2.225 6.728 -4.110 1.00 0.00 N ATOM 0 H GLN A 5 -2.253 6.132 -7.199 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.434 7.314 -8.703 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.764 6.726 -6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.676 5.387 -7.171 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.539 7.364 -4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.970 5.668 -4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.711 7.457 -3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.240 6.537 -3.924 1.00 0.00 H new ATOM 83 N CYS A 6 -3.110 9.603 -8.152 1.00 0.00 N ATOM 84 CA CYS A 6 -3.114 11.062 -8.063 1.00 0.00 C ATOM 85 C CYS A 6 -4.389 11.602 -8.707 1.00 0.00 C ATOM 86 O CYS A 6 -5.148 10.856 -9.325 1.00 0.00 O ATOM 87 CB CYS A 6 -1.879 11.658 -8.756 1.00 0.00 C ATOM 88 SG CYS A 6 -0.360 11.678 -7.783 1.00 0.00 S ATOM 0 H CYS A 6 -2.471 9.247 -8.863 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.082 11.351 -7.012 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.694 11.096 -9.671 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.111 12.681 -9.052 1.00 0.00 H new ATOM 93 N GLY A 7 -4.644 12.906 -8.582 1.00 0.00 N ATOM 94 CA GLY A 7 -5.774 13.549 -9.242 1.00 0.00 C ATOM 95 C GLY A 7 -7.054 13.377 -8.427 1.00 0.00 C ATOM 96 O GLY A 7 -7.799 14.337 -8.243 1.00 0.00 O ATOM 0 H GLY A 7 -4.074 13.540 -8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.565 14.610 -9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.911 13.122 -10.235 1.00 0.00 H new ATOM 100 N GLU A 8 -7.287 12.170 -7.901 1.00 0.00 N ATOM 101 CA GLU A 8 -8.350 11.858 -6.952 1.00 0.00 C ATOM 102 C GLU A 8 -8.068 12.547 -5.608 1.00 0.00 C ATOM 103 O GLU A 8 -7.808 11.882 -4.609 1.00 0.00 O ATOM 104 CB GLU A 8 -8.426 10.332 -6.790 1.00 0.00 C ATOM 105 CG GLU A 8 -8.728 9.621 -8.117 1.00 0.00 C ATOM 106 CD GLU A 8 -8.767 8.107 -7.937 1.00 0.00 C ATOM 107 OE1 GLU A 8 -9.745 7.634 -7.319 1.00 0.00 O ATOM 108 OE2 GLU A 8 -7.819 7.452 -8.421 1.00 0.00 O ATOM 0 H GLU A 8 -6.717 11.357 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.309 12.226 -7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.482 9.964 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.199 10.084 -6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.684 9.968 -8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.968 9.883 -8.854 1.00 0.00 H new ATOM 115 N ASN A 9 -8.088 13.886 -5.598 1.00 0.00 N ATOM 116 CA ASN A 9 -7.644 14.740 -4.501 1.00 0.00 C ATOM 117 C ASN A 9 -6.390 14.187 -3.816 1.00 0.00 C ATOM 118 O ASN A 9 -6.319 14.074 -2.589 1.00 0.00 O ATOM 119 CB ASN A 9 -8.794 15.175 -3.576 1.00 0.00 C ATOM 120 CG ASN A 9 -9.564 14.038 -2.916 1.00 0.00 C ATOM 121 OD1 ASN A 9 -10.755 13.869 -3.154 1.00 0.00 O ATOM 122 ND2 ASN A 9 -8.912 13.276 -2.051 1.00 0.00 N ATOM 0 H ASN A 9 -8.431 14.424 -6.394 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.311 15.687 -4.925 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.387 15.818 -2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.494 15.779 -4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.401 12.525 -1.563 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.921 13.440 -1.873 1.00 0.00 H new ATOM 129 N GLU A 10 -5.386 13.888 -4.649 1.00 0.00 N ATOM 130 CA GLU A 10 -4.077 13.371 -4.289 1.00 0.00 C ATOM 131 C GLU A 10 -3.040 13.965 -5.247 1.00 0.00 C ATOM 132 O GLU A 10 -3.360 14.186 -6.417 1.00 0.00 O ATOM 133 CB GLU A 10 -4.073 11.840 -4.415 1.00 0.00 C ATOM 134 CG GLU A 10 -4.703 11.150 -3.208 1.00 0.00 C ATOM 135 CD GLU A 10 -4.749 9.636 -3.355 1.00 0.00 C ATOM 136 OE1 GLU A 10 -3.653 9.034 -3.300 1.00 0.00 O ATOM 137 OE2 GLU A 10 -5.873 9.107 -3.483 1.00 0.00 O ATOM 0 H GLU A 10 -5.481 14.012 -5.657 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.839 13.643 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.614 11.552 -5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.047 11.492 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.138 11.407 -2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.715 11.528 -3.066 1.00 0.00 H new ATOM 144 N LYS A 11 -1.811 14.181 -4.767 1.00 0.00 N ATOM 145 CA LYS A 11 -0.663 14.608 -5.559 1.00 0.00 C ATOM 146 C LYS A 11 0.561 13.777 -5.171 1.00 0.00 C ATOM 147 O LYS A 11 0.590 13.186 -4.094 1.00 0.00 O ATOM 148 CB LYS A 11 -0.411 16.121 -5.432 1.00 0.00 C ATOM 149 CG LYS A 11 0.292 16.594 -4.146 1.00 0.00 C ATOM 150 CD LYS A 11 -0.622 16.634 -2.917 1.00 0.00 C ATOM 151 CE LYS A 11 0.172 17.144 -1.707 1.00 0.00 C ATOM 152 NZ LYS A 11 -0.702 17.391 -0.549 1.00 0.00 N ATOM 0 H LYS A 11 -1.585 14.058 -3.780 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.875 14.432 -6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.187 16.440 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.370 16.634 -5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.133 15.933 -3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.703 17.590 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.476 17.285 -3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.019 15.639 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.935 16.414 -1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.692 18.064 -1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.121 17.503 0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.253 18.258 -0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.350 16.587 -0.425 1.00 0.00 H new ATOM 166 N TYR A 12 1.566 13.709 -6.046 1.00 0.00 N ATOM 167 CA TYR A 12 2.723 12.845 -5.860 1.00 0.00 C ATOM 168 C TYR A 12 3.661 13.404 -4.788 1.00 0.00 C ATOM 169 O TYR A 12 3.929 14.604 -4.787 1.00 0.00 O ATOM 170 CB TYR A 12 3.425 12.661 -7.207 1.00 0.00 C ATOM 171 CG TYR A 12 4.355 11.468 -7.284 1.00 0.00 C ATOM 172 CD1 TYR A 12 3.826 10.167 -7.189 1.00 0.00 C ATOM 173 CD2 TYR A 12 5.705 11.646 -7.638 1.00 0.00 C ATOM 174 CE1 TYR A 12 4.621 9.056 -7.510 1.00 0.00 C ATOM 175 CE2 TYR A 12 6.503 10.531 -7.945 1.00 0.00 C ATOM 176 CZ TYR A 12 5.948 9.241 -7.928 1.00 0.00 C ATOM 177 OH TYR A 12 6.716 8.152 -8.211 1.00 0.00 O ATOM 0 H TYR A 12 1.596 14.256 -6.906 1.00 0.00 H new ATOM 0 HA TYR A 12 2.400 11.868 -5.502 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.667 12.563 -7.985 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.995 13.563 -7.429 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.805 10.023 -6.868 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.128 12.639 -7.674 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.212 8.059 -7.435 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.545 10.666 -8.194 1.00 0.00 H new ATOM 0 HH TYR A 12 7.633 8.309 -7.902 1.00 0.00 H new ATOM 187 N ASP A 13 4.158 12.550 -3.886 1.00 0.00 N ATOM 188 CA ASP A 13 5.087 12.946 -2.836 1.00 0.00 C ATOM 189 C ASP A 13 5.988 11.770 -2.455 1.00 0.00 C ATOM 190 O ASP A 13 5.624 10.606 -2.625 1.00 0.00 O ATOM 191 CB ASP A 13 4.298 13.442 -1.617 1.00 0.00 C ATOM 192 CG ASP A 13 5.180 14.007 -0.504 1.00 0.00 C ATOM 193 OD1 ASP A 13 6.299 14.465 -0.827 1.00 0.00 O ATOM 194 OD2 ASP A 13 4.704 13.989 0.651 1.00 0.00 O ATOM 0 H ASP A 13 3.921 11.558 -3.869 1.00 0.00 H new ATOM 0 HA ASP A 13 5.721 13.754 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.596 14.211 -1.938 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.707 12.618 -1.217 1.00 0.00 H new ATOM 199 N SER A 14 7.176 12.081 -1.941 1.00 0.00 N ATOM 200 CA SER A 14 8.106 11.132 -1.366 1.00 0.00 C ATOM 201 C SER A 14 7.626 10.725 0.031 1.00 0.00 C ATOM 202 O SER A 14 7.159 11.577 0.781 1.00 0.00 O ATOM 203 CB SER A 14 9.469 11.819 -1.292 1.00 0.00 C ATOM 204 OG SER A 14 9.292 13.138 -0.805 1.00 0.00 O ATOM 0 H SER A 14 7.524 13.040 -1.916 1.00 0.00 H new ATOM 0 HA SER A 14 8.175 10.229 -1.972 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.137 11.261 -0.636 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.935 11.840 -2.277 1.00 0.00 H new ATOM 0 HG SER A 14 10.162 13.587 -0.752 1.00 0.00 H new ATOM 210 N CYS A 15 7.789 9.446 0.380 1.00 0.00 N ATOM 211 CA CYS A 15 7.387 8.859 1.655 1.00 0.00 C ATOM 212 C CYS A 15 5.863 8.811 1.781 1.00 0.00 C ATOM 213 O CYS A 15 5.258 9.672 2.413 1.00 0.00 O ATOM 214 CB CYS A 15 8.042 9.537 2.871 1.00 0.00 C ATOM 215 SG CYS A 15 8.412 8.419 4.254 1.00 0.00 S ATOM 0 H CYS A 15 8.222 8.766 -0.245 1.00 0.00 H new ATOM 0 HA CYS A 15 7.760 7.835 1.656 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.968 10.014 2.549 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.383 10.329 3.228 1.00 0.00 H new ATOM 220 N GLY A 16 5.233 7.801 1.179 1.00 0.00 N ATOM 221 CA GLY A 16 3.792 7.651 1.216 1.00 0.00 C ATOM 222 C GLY A 16 3.355 6.255 1.618 1.00 0.00 C ATOM 223 O GLY A 16 3.450 5.926 2.799 1.00 0.00 O ATOM 0 H GLY A 16 5.713 7.069 0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.374 8.373 1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.382 7.886 0.234 1.00 0.00 H new ATOM 227 N SER A 17 2.783 5.482 0.689 1.00 0.00 N ATOM 228 CA SER A 17 2.091 4.219 0.960 1.00 0.00 C ATOM 229 C SER A 17 0.746 4.561 1.621 1.00 0.00 C ATOM 230 O SER A 17 -0.314 4.213 1.109 1.00 0.00 O ATOM 231 CB SER A 17 2.969 3.237 1.748 1.00 0.00 C ATOM 232 OG SER A 17 4.237 3.150 1.123 1.00 0.00 O ATOM 0 H SER A 17 2.789 5.726 -0.301 1.00 0.00 H new ATOM 0 HA SER A 17 1.885 3.678 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.079 3.574 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.498 2.255 1.783 1.00 0.00 H new ATOM 0 HG SER A 17 4.565 2.228 1.176 1.00 0.00 H new ATOM 238 N LYS A 18 0.814 5.289 2.737 1.00 0.00 N ATOM 239 CA LYS A 18 -0.235 5.986 3.476 1.00 0.00 C ATOM 240 C LYS A 18 0.384 6.593 4.732 1.00 0.00 C ATOM 241 O LYS A 18 -0.166 6.490 5.826 1.00 0.00 O ATOM 242 CB LYS A 18 -1.520 5.173 3.712 1.00 0.00 C ATOM 243 CG LYS A 18 -1.328 3.809 4.383 1.00 0.00 C ATOM 244 CD LYS A 18 -2.713 3.231 4.709 1.00 0.00 C ATOM 245 CE LYS A 18 -2.636 1.792 5.228 1.00 0.00 C ATOM 246 NZ LYS A 18 -2.334 0.842 4.143 1.00 0.00 N ATOM 0 H LYS A 18 1.715 5.418 3.197 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.619 6.793 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.197 5.767 4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.012 5.019 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.781 3.135 3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.737 3.914 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.199 3.859 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.336 3.259 3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.868 1.723 5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.582 1.522 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.205 -0.110 4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.121 0.830 3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.462 1.135 3.658 1.00 0.00 H new ATOM 260 N GLU A 19 1.549 7.220 4.525 1.00 0.00 N ATOM 261 CA GLU A 19 2.377 7.874 5.520 1.00 0.00 C ATOM 262 C GLU A 19 1.510 8.629 6.526 1.00 0.00 C ATOM 263 O GLU A 19 0.674 9.457 6.154 1.00 0.00 O ATOM 264 CB GLU A 19 3.419 8.740 4.794 1.00 0.00 C ATOM 265 CG GLU A 19 4.343 9.632 5.638 1.00 0.00 C ATOM 266 CD GLU A 19 4.663 9.108 7.033 1.00 0.00 C ATOM 267 OE1 GLU A 19 5.314 8.047 7.119 1.00 0.00 O ATOM 268 OE2 GLU A 19 4.217 9.774 7.993 1.00 0.00 O ATOM 0 H GLU A 19 1.956 7.282 3.592 1.00 0.00 H new ATOM 0 HA GLU A 19 2.928 7.148 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.049 8.076 4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.886 9.383 4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.279 9.771 5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.882 10.615 5.735 1.00 0.00 H new ATOM 275 N CYS A 20 1.742 8.308 7.803 1.00 0.00 N ATOM 276 CA CYS A 20 1.007 8.775 8.971 1.00 0.00 C ATOM 277 C CYS A 20 0.756 10.275 8.918 1.00 0.00 C ATOM 278 O CYS A 20 -0.270 10.735 9.413 1.00 0.00 O ATOM 279 CB CYS A 20 1.671 8.306 10.271 1.00 0.00 C ATOM 280 SG CYS A 20 2.030 6.530 10.295 1.00 0.00 S ATOM 0 H CYS A 20 2.498 7.674 8.059 1.00 0.00 H new ATOM 0 HA CYS A 20 0.019 8.315 8.956 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.599 8.859 10.416 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.020 8.549 11.111 1.00 0.00 H new ATOM 285 N ASP A 21 1.659 11.009 8.259 1.00 0.00 N ATOM 286 CA ASP A 21 1.524 12.405 7.874 1.00 0.00 C ATOM 287 C ASP A 21 0.061 12.744 7.575 1.00 0.00 C ATOM 288 O ASP A 21 -0.548 13.571 8.253 1.00 0.00 O ATOM 289 CB ASP A 21 2.357 12.628 6.599 1.00 0.00 C ATOM 290 CG ASP A 21 2.221 14.055 6.074 1.00 0.00 C ATOM 291 OD1 ASP A 21 2.255 14.980 6.914 1.00 0.00 O ATOM 292 OD2 ASP A 21 2.086 14.194 4.839 1.00 0.00 O ATOM 0 H ASP A 21 2.553 10.615 7.966 1.00 0.00 H new ATOM 0 HA ASP A 21 1.869 13.042 8.688 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.406 12.416 6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.038 11.926 5.829 1.00 0.00 H new ATOM 297 N LYS A 22 -0.479 12.112 6.530 1.00 0.00 N ATOM 298 CA LYS A 22 -1.863 12.273 6.122 1.00 0.00 C ATOM 299 C LYS A 22 -2.799 11.210 6.691 1.00 0.00 C ATOM 300 O LYS A 22 -3.973 11.224 6.333 1.00 0.00 O ATOM 301 CB LYS A 22 -1.962 12.396 4.594 1.00 0.00 C ATOM 302 CG LYS A 22 -1.402 13.720 4.056 1.00 0.00 C ATOM 303 CD LYS A 22 -2.029 14.936 4.759 1.00 0.00 C ATOM 304 CE LYS A 22 -1.934 16.212 3.920 1.00 0.00 C ATOM 305 NZ LYS A 22 -2.837 16.155 2.759 1.00 0.00 N ATOM 0 H LYS A 22 0.046 11.467 5.940 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.217 13.207 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.424 11.568 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.006 12.303 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.321 13.739 4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.589 13.784 2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.076 14.726 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.530 15.096 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.185 17.075 4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.908 16.351 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.054 17.121 2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.378 15.631 1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.719 15.673 3.028 1.00 0.00 H new ATOM 319 N LYS A 23 -2.373 10.300 7.570 1.00 0.00 N ATOM 320 CA LYS A 23 -3.277 9.319 8.133 1.00 0.00 C ATOM 321 C LYS A 23 -4.013 9.968 9.310 1.00 0.00 C ATOM 322 O LYS A 23 -3.815 9.627 10.475 1.00 0.00 O ATOM 323 CB LYS A 23 -2.537 8.014 8.456 1.00 0.00 C ATOM 324 CG LYS A 23 -3.446 6.789 8.305 1.00 0.00 C ATOM 325 CD LYS A 23 -4.770 7.003 9.044 1.00 0.00 C ATOM 326 CE LYS A 23 -5.618 5.727 9.090 1.00 0.00 C ATOM 327 NZ LYS A 23 -5.850 5.177 7.744 1.00 0.00 N ATOM 0 H LYS A 23 -1.411 10.229 7.900 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.039 9.014 7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.677 7.911 7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.152 8.057 9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.640 6.602 7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.943 5.906 8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.567 7.339 10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.335 7.795 8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.118 4.980 9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.575 5.943 9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.585 4.443 7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.161 5.938 7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.968 4.761 7.382 1.00 0.00 H new ATOM 341 N CYS A 24 -4.899 10.897 8.950 1.00 0.00 N ATOM 342 CA CYS A 24 -5.856 11.575 9.808 1.00 0.00 C ATOM 343 C CYS A 24 -5.228 12.189 11.059 1.00 0.00 C ATOM 344 O CYS A 24 -5.196 11.567 12.113 1.00 0.00 O ATOM 345 CB CYS A 24 -7.007 10.633 10.151 1.00 0.00 C ATOM 346 SG CYS A 24 -8.361 11.479 10.986 1.00 0.00 S ATOM 0 H CYS A 24 -4.967 11.214 7.983 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.248 12.422 9.245 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.380 10.171 9.237 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.637 9.829 10.787 1.00 0.00 H new ATOM 351 N LYS A 25 -4.745 13.430 10.959 1.00 0.00 N ATOM 352 CA LYS A 25 -4.292 14.157 12.135 1.00 0.00 C ATOM 353 C LYS A 25 -5.480 14.354 13.085 1.00 0.00 C ATOM 354 O LYS A 25 -6.441 15.050 12.761 1.00 0.00 O ATOM 355 CB LYS A 25 -3.632 15.481 11.725 1.00 0.00 C ATOM 356 CG LYS A 25 -2.234 15.242 11.132 1.00 0.00 C ATOM 357 CD LYS A 25 -1.191 15.025 12.243 1.00 0.00 C ATOM 358 CE LYS A 25 0.190 14.674 11.677 1.00 0.00 C ATOM 359 NZ LYS A 25 0.190 13.364 11.002 1.00 0.00 N ATOM 0 H LYS A 25 -4.660 13.944 10.082 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.530 13.586 12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.258 15.992 10.994 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.555 16.137 12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.258 14.372 10.476 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.945 16.096 10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.115 15.927 12.850 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.526 14.225 12.903 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.500 15.446 10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.922 14.666 12.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.141 12.946 11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.492 12.733 11.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.079 13.487 10.005 1.00 0.00 H new ATOM 373 N TYR A 26 -5.420 13.705 14.248 1.00 0.00 N ATOM 374 CA TYR A 26 -6.536 13.600 15.170 1.00 0.00 C ATOM 375 C TYR A 26 -6.728 14.909 15.939 1.00 0.00 C ATOM 376 O TYR A 26 -6.296 15.044 17.085 1.00 0.00 O ATOM 377 CB TYR A 26 -6.322 12.390 16.089 1.00 0.00 C ATOM 378 CG TYR A 26 -6.122 11.080 15.342 1.00 0.00 C ATOM 379 CD1 TYR A 26 -7.192 10.504 14.632 1.00 0.00 C ATOM 380 CD2 TYR A 26 -4.832 10.532 15.208 1.00 0.00 C ATOM 381 CE1 TYR A 26 -6.951 9.461 13.722 1.00 0.00 C ATOM 382 CE2 TYR A 26 -4.584 9.518 14.271 1.00 0.00 C ATOM 383 CZ TYR A 26 -5.633 9.046 13.469 1.00 0.00 C ATOM 384 OH TYR A 26 -5.344 8.329 12.349 1.00 0.00 O ATOM 0 H TYR A 26 -4.578 13.232 14.575 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.462 13.435 14.619 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.453 12.574 16.720 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.182 12.292 16.752 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.198 10.864 14.787 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.028 10.895 15.831 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.776 8.980 13.219 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.592 9.104 14.168 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.896 8.907 11.697 1.00 0.00 H new ATOM 394 N ASP A 27 -7.381 15.884 15.298 1.00 0.00 N ATOM 395 CA ASP A 27 -7.835 17.099 15.968 1.00 0.00 C ATOM 396 C ASP A 27 -8.608 16.678 17.221 1.00 0.00 C ATOM 397 O ASP A 27 -9.488 15.831 17.127 1.00 0.00 O ATOM 398 CB ASP A 27 -8.721 17.918 15.024 1.00 0.00 C ATOM 399 CG ASP A 27 -9.293 19.151 15.721 1.00 0.00 C ATOM 400 OD1 ASP A 27 -8.548 19.745 16.532 1.00 0.00 O ATOM 401 OD2 ASP A 27 -10.463 19.478 15.432 1.00 0.00 O ATOM 0 H ASP A 27 -7.607 15.850 14.304 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.989 17.726 16.249 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.140 18.227 14.155 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.537 17.295 14.657 1.00 0.00 H new ATOM 406 N GLY A 28 -8.266 17.231 18.388 1.00 0.00 N ATOM 407 CA GLY A 28 -8.752 16.754 19.677 1.00 0.00 C ATOM 408 C GLY A 28 -7.654 15.949 20.386 1.00 0.00 C ATOM 409 O GLY A 28 -7.877 15.429 21.474 1.00 0.00 O ATOM 0 H GLY A 28 -7.637 18.031 18.461 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.053 17.599 20.297 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.636 16.132 19.534 1.00 0.00 H new ATOM 413 N VAL A 29 -6.471 15.854 19.766 1.00 0.00 N ATOM 414 CA VAL A 29 -5.231 15.334 20.317 1.00 0.00 C ATOM 415 C VAL A 29 -5.095 13.824 20.144 1.00 0.00 C ATOM 416 O VAL A 29 -6.057 13.052 20.127 1.00 0.00 O ATOM 417 CB VAL A 29 -4.902 15.895 21.724 1.00 0.00 C ATOM 418 CG1 VAL A 29 -3.646 15.279 22.357 1.00 0.00 C ATOM 419 CG2 VAL A 29 -4.667 17.408 21.621 1.00 0.00 C ATOM 0 H VAL A 29 -6.356 16.162 18.800 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.420 15.731 19.707 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.754 15.645 22.356 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.480 15.721 23.340 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.782 14.203 22.461 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.784 15.476 21.720 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.435 17.808 22.608 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.833 17.602 20.946 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.565 17.890 21.236 1.00 0.00 H new ATOM 429 N GLU A 30 -3.828 13.466 19.957 1.00 0.00 N ATOM 430 CA GLU A 30 -3.232 12.165 19.802 1.00 0.00 C ATOM 431 C GLU A 30 -1.885 12.280 20.507 1.00 0.00 C ATOM 432 O GLU A 30 -1.344 13.380 20.638 1.00 0.00 O ATOM 433 CB GLU A 30 -3.021 11.862 18.311 1.00 0.00 C ATOM 434 CG GLU A 30 -2.585 13.109 17.513 1.00 0.00 C ATOM 435 CD GLU A 30 -2.088 12.780 16.109 1.00 0.00 C ATOM 436 OE1 GLU A 30 -0.967 12.237 16.019 1.00 0.00 O ATOM 437 OE2 GLU A 30 -2.836 13.083 15.153 1.00 0.00 O ATOM 0 H GLU A 30 -3.109 14.188 19.906 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.851 11.367 20.211 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.266 11.084 18.205 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.946 11.469 17.889 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.426 13.799 17.441 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.795 13.624 18.060 1.00 0.00 H new ATOM 444 N GLU A 31 -1.335 11.156 20.946 1.00 0.00 N ATOM 445 CA GLU A 31 -0.028 11.114 21.576 1.00 0.00 C ATOM 446 C GLU A 31 1.055 11.331 20.512 1.00 0.00 C ATOM 447 O GLU A 31 1.706 10.391 20.054 1.00 0.00 O ATOM 448 CB GLU A 31 0.152 9.804 22.354 1.00 0.00 C ATOM 449 CG GLU A 31 -0.731 9.708 23.610 1.00 0.00 C ATOM 450 CD GLU A 31 -2.231 9.684 23.318 1.00 0.00 C ATOM 451 OE1 GLU A 31 -2.603 9.079 22.288 1.00 0.00 O ATOM 452 OE2 GLU A 31 -2.973 10.293 24.118 1.00 0.00 O ATOM 0 H GLU A 31 -1.787 10.245 20.873 1.00 0.00 H new ATOM 0 HA GLU A 31 0.063 11.918 22.306 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.075 8.966 21.695 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.197 9.705 22.646 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.464 8.806 24.160 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.512 10.555 24.261 1.00 0.00 H new ATOM 459 N GLU A 32 1.262 12.601 20.147 1.00 0.00 N ATOM 460 CA GLU A 32 2.323 13.044 19.247 1.00 0.00 C ATOM 461 C GLU A 32 3.726 12.738 19.792 1.00 0.00 C ATOM 462 O GLU A 32 4.703 12.885 19.060 1.00 0.00 O ATOM 463 CB GLU A 32 2.175 14.541 18.941 1.00 0.00 C ATOM 464 CG GLU A 32 0.823 14.857 18.289 1.00 0.00 C ATOM 465 CD GLU A 32 0.769 16.273 17.723 1.00 0.00 C ATOM 466 OE1 GLU A 32 1.248 17.188 18.427 1.00 0.00 O ATOM 467 OE2 GLU A 32 0.244 16.414 16.596 1.00 0.00 O ATOM 0 H GLU A 32 0.678 13.367 20.481 1.00 0.00 H new ATOM 0 HA GLU A 32 2.215 12.478 18.322 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.276 15.113 19.864 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.981 14.858 18.279 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.632 14.141 17.490 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.029 14.732 19.025 1.00 0.00 H new ATOM 474 N ASP A 33 3.827 12.317 21.058 1.00 0.00 N ATOM 475 CA ASP A 33 5.021 11.819 21.732 1.00 0.00 C ATOM 476 C ASP A 33 5.721 10.751 20.885 1.00 0.00 C ATOM 477 O ASP A 33 5.471 9.560 21.047 1.00 0.00 O ATOM 478 CB ASP A 33 4.617 11.237 23.098 1.00 0.00 C ATOM 479 CG ASP A 33 3.834 12.228 23.950 1.00 0.00 C ATOM 480 OD1 ASP A 33 2.643 12.430 23.616 1.00 0.00 O ATOM 481 OD2 ASP A 33 4.435 12.773 24.901 1.00 0.00 O ATOM 0 H ASP A 33 3.017 12.317 21.678 1.00 0.00 H new ATOM 0 HA ASP A 33 5.721 12.642 21.875 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.015 10.342 22.943 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.513 10.929 23.637 1.00 0.00 H new ATOM 486 N ASP A 34 6.574 11.192 19.957 1.00 0.00 N ATOM 487 CA ASP A 34 7.193 10.354 18.935 1.00 0.00 C ATOM 488 C ASP A 34 6.109 9.647 18.113 1.00 0.00 C ATOM 489 O ASP A 34 6.241 8.470 17.787 1.00 0.00 O ATOM 490 CB ASP A 34 8.208 9.374 19.544 1.00 0.00 C ATOM 491 CG ASP A 34 9.315 10.099 20.301 1.00 0.00 C ATOM 492 OD1 ASP A 34 10.230 10.605 19.616 1.00 0.00 O ATOM 493 OD2 ASP A 34 9.224 10.142 21.547 1.00 0.00 O ATOM 0 H ASP A 34 6.859 12.170 19.897 1.00 0.00 H new ATOM 0 HA ASP A 34 7.763 10.989 18.257 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.693 8.691 20.220 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.647 8.767 18.752 1.00 0.00 H new ATOM 498 N GLU A 35 5.053 10.399 17.776 1.00 0.00 N ATOM 499 CA GLU A 35 3.862 9.964 17.059 1.00 0.00 C ATOM 500 C GLU A 35 3.467 8.514 17.359 1.00 0.00 C ATOM 501 O GLU A 35 3.564 7.646 16.493 1.00 0.00 O ATOM 502 CB GLU A 35 3.972 10.286 15.557 1.00 0.00 C ATOM 503 CG GLU A 35 5.263 9.794 14.889 1.00 0.00 C ATOM 504 CD GLU A 35 5.219 10.033 13.382 1.00 0.00 C ATOM 505 OE1 GLU A 35 4.600 9.198 12.686 1.00 0.00 O ATOM 506 OE2 GLU A 35 5.795 11.055 12.951 1.00 0.00 O ATOM 0 H GLU A 35 5.012 11.390 18.015 1.00 0.00 H new ATOM 0 HA GLU A 35 3.023 10.546 17.441 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.120 9.843 15.041 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.899 11.365 15.424 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.120 10.312 15.319 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.399 8.731 15.089 1.00 0.00 H new ATOM 513 N GLU A 36 2.925 8.263 18.556 1.00 0.00 N ATOM 514 CA GLU A 36 2.461 6.932 18.929 1.00 0.00 C ATOM 515 C GLU A 36 1.500 6.304 17.903 1.00 0.00 C ATOM 516 O GLU A 36 1.605 5.099 17.675 1.00 0.00 O ATOM 517 CB GLU A 36 1.869 6.911 20.341 1.00 0.00 C ATOM 518 CG GLU A 36 2.878 7.392 21.396 1.00 0.00 C ATOM 519 CD GLU A 36 2.349 7.277 22.824 1.00 0.00 C ATOM 520 OE1 GLU A 36 1.311 6.603 23.008 1.00 0.00 O ATOM 521 OE2 GLU A 36 2.987 7.882 23.712 1.00 0.00 O ATOM 0 H GLU A 36 2.799 8.969 19.281 1.00 0.00 H new ATOM 0 HA GLU A 36 3.350 6.301 18.929 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.983 7.545 20.372 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.546 5.899 20.584 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.795 6.809 21.306 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.139 8.431 21.194 1.00 0.00 H new ATOM 528 N PRO A 37 0.592 7.057 17.246 1.00 0.00 N ATOM 529 CA PRO A 37 -0.221 6.526 16.157 1.00 0.00 C ATOM 530 C PRO A 37 0.574 5.764 15.088 1.00 0.00 C ATOM 531 O PRO A 37 0.019 4.877 14.444 1.00 0.00 O ATOM 532 CB PRO A 37 -0.960 7.725 15.561 1.00 0.00 C ATOM 533 CG PRO A 37 -1.102 8.659 16.759 1.00 0.00 C ATOM 534 CD PRO A 37 0.213 8.442 17.505 1.00 0.00 C ATOM 0 HA PRO A 37 -0.905 5.773 16.550 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.395 8.187 14.751 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.929 7.441 15.152 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.228 9.697 16.452 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.965 8.402 17.374 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.981 9.130 17.152 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.091 8.621 18.573 1.00 0.00 H new ATOM 542 N ASN A 38 1.864 6.066 14.903 1.00 0.00 N ATOM 543 CA ASN A 38 2.729 5.337 13.979 1.00 0.00 C ATOM 544 C ASN A 38 2.791 3.841 14.302 1.00 0.00 C ATOM 545 O ASN A 38 3.066 3.038 13.418 1.00 0.00 O ATOM 546 CB ASN A 38 4.129 5.960 13.953 1.00 0.00 C ATOM 547 CG ASN A 38 4.881 5.617 12.667 1.00 0.00 C ATOM 548 OD1 ASN A 38 5.287 4.480 12.444 1.00 0.00 O ATOM 549 ND2 ASN A 38 5.093 6.603 11.800 1.00 0.00 N ATOM 0 H ASN A 38 2.336 6.826 15.393 1.00 0.00 H new ATOM 0 HA ASN A 38 2.293 5.423 12.984 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.046 7.043 14.048 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.699 5.607 14.812 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.600 6.420 10.934 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.749 7.542 12.001 1.00 0.00 H new ATOM 556 N VAL A 39 2.539 3.439 15.552 1.00 0.00 N ATOM 557 CA VAL A 39 2.501 2.026 15.914 1.00 0.00 C ATOM 558 C VAL A 39 1.436 1.278 15.088 1.00 0.00 C ATOM 559 O VAL A 39 1.811 0.408 14.306 1.00 0.00 O ATOM 560 CB VAL A 39 2.409 1.841 17.443 1.00 0.00 C ATOM 561 CG1 VAL A 39 2.285 0.358 17.817 1.00 0.00 C ATOM 562 CG2 VAL A 39 3.664 2.411 18.121 1.00 0.00 C ATOM 0 H VAL A 39 2.359 4.076 16.328 1.00 0.00 H new ATOM 0 HA VAL A 39 3.445 1.553 15.644 1.00 0.00 H new ATOM 0 HB VAL A 39 1.520 2.372 17.785 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.222 0.260 18.901 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.386 -0.058 17.362 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.159 -0.183 17.454 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.588 2.275 19.200 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.546 1.889 17.751 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.749 3.474 17.894 1.00 0.00 H new ATOM 572 N PRO A 40 0.128 1.575 15.206 1.00 0.00 N ATOM 573 CA PRO A 40 -0.878 0.986 14.330 1.00 0.00 C ATOM 574 C PRO A 40 -0.731 1.457 12.876 1.00 0.00 C ATOM 575 O PRO A 40 -0.965 0.680 11.951 1.00 0.00 O ATOM 576 CB PRO A 40 -2.235 1.368 14.931 1.00 0.00 C ATOM 577 CG PRO A 40 -1.937 2.634 15.732 1.00 0.00 C ATOM 578 CD PRO A 40 -0.510 2.392 16.226 1.00 0.00 C ATOM 0 HA PRO A 40 -0.765 -0.097 14.278 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.978 1.551 14.155 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.628 0.575 15.568 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.005 3.529 15.114 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.635 2.764 16.559 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.022 3.334 16.362 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.511 1.884 17.190 1.00 0.00 H new ATOM 586 N CYS A 41 -0.352 2.718 12.645 1.00 0.00 N ATOM 587 CA CYS A 41 -0.117 3.236 11.299 1.00 0.00 C ATOM 588 C CYS A 41 1.223 2.708 10.755 1.00 0.00 C ATOM 589 O CYS A 41 2.210 3.432 10.649 1.00 0.00 O ATOM 590 CB CYS A 41 -0.257 4.766 11.306 1.00 0.00 C ATOM 591 SG CYS A 41 0.223 5.607 9.787 1.00 0.00 S ATOM 0 H CYS A 41 -0.201 3.404 13.385 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.871 2.872 10.601 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.295 5.015 11.524 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.345 5.163 12.124 1.00 0.00 H new ATOM 596 N LEU A 42 1.243 1.413 10.411 1.00 0.00 N ATOM 597 CA LEU A 42 2.430 0.629 10.056 1.00 0.00 C ATOM 598 C LEU A 42 3.025 0.992 8.680 1.00 0.00 C ATOM 599 O LEU A 42 3.291 0.116 7.858 1.00 0.00 O ATOM 600 CB LEU A 42 2.075 -0.872 10.094 1.00 0.00 C ATOM 601 CG LEU A 42 1.735 -1.429 11.486 1.00 0.00 C ATOM 602 CD1 LEU A 42 0.996 -2.764 11.337 1.00 0.00 C ATOM 603 CD2 LEU A 42 2.998 -1.654 12.324 1.00 0.00 C ATOM 0 H LEU A 42 0.388 0.858 10.371 1.00 0.00 H new ATOM 0 HA LEU A 42 3.199 0.867 10.791 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.225 -1.045 9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.914 -1.438 9.689 1.00 0.00 H new ATOM 0 HG LEU A 42 1.106 -0.698 11.994 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.755 -3.159 12.324 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.076 -2.610 10.773 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.631 -3.474 10.807 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.721 -2.048 13.302 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.649 -2.366 11.817 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.524 -0.708 12.450 1.00 0.00 H new ATOM 615 N VAL A 43 3.315 2.264 8.412 1.00 0.00 N ATOM 616 CA VAL A 43 3.771 2.734 7.099 1.00 0.00 C ATOM 617 C VAL A 43 5.261 2.457 6.865 1.00 0.00 C ATOM 618 O VAL A 43 5.925 3.246 6.205 1.00 0.00 O ATOM 619 CB VAL A 43 3.440 4.235 6.935 1.00 0.00 C ATOM 620 CG1 VAL A 43 1.922 4.420 7.029 1.00 0.00 C ATOM 621 CG2 VAL A 43 4.157 5.083 7.999 1.00 0.00 C ATOM 0 H VAL A 43 3.240 3.008 9.106 1.00 0.00 H new ATOM 0 HA VAL A 43 3.235 2.170 6.336 1.00 0.00 H new ATOM 0 HB VAL A 43 3.792 4.574 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.676 5.476 6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.436 3.847 6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.572 4.069 8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.904 6.134 7.858 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.841 4.764 8.992 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.235 4.953 7.902 1.00 0.00 H new ATOM 631 N ARG A 44 5.808 1.341 7.364 1.00 0.00 N ATOM 632 CA ARG A 44 7.250 1.089 7.305 1.00 0.00 C ATOM 633 C ARG A 44 7.758 1.074 5.859 1.00 0.00 C ATOM 634 O ARG A 44 8.885 1.481 5.592 1.00 0.00 O ATOM 635 CB ARG A 44 7.644 -0.206 8.037 1.00 0.00 C ATOM 636 CG ARG A 44 7.574 -0.082 9.567 1.00 0.00 C ATOM 637 CD ARG A 44 6.216 -0.515 10.124 1.00 0.00 C ATOM 638 NE ARG A 44 6.032 -0.089 11.516 1.00 0.00 N ATOM 639 CZ ARG A 44 5.603 1.128 11.886 1.00 0.00 C ATOM 640 NH1 ARG A 44 5.569 2.143 11.018 1.00 0.00 N ATOM 641 NH2 ARG A 44 5.166 1.325 13.131 1.00 0.00 N ATOM 0 H ARG A 44 5.271 0.599 7.813 1.00 0.00 H new ATOM 0 HA ARG A 44 7.733 1.916 7.825 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.986 -1.013 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.657 -0.485 7.748 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.359 -0.692 10.015 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.769 0.951 9.855 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.421 -0.095 9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.128 -1.600 10.062 1.00 0.00 H new ATOM 0 HE ARG A 44 6.244 -0.763 12.252 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.872 2.001 10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.240 3.060 11.319 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.159 0.553 13.797 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.839 2.248 13.417 1.00 0.00 H new ATOM 655 N VAL A 45 6.913 0.625 4.930 1.00 0.00 N ATOM 656 CA VAL A 45 7.168 0.703 3.497 1.00 0.00 C ATOM 657 C VAL A 45 7.550 2.120 3.043 1.00 0.00 C ATOM 658 O VAL A 45 8.422 2.253 2.189 1.00 0.00 O ATOM 659 CB VAL A 45 5.951 0.174 2.708 1.00 0.00 C ATOM 660 CG1 VAL A 45 5.962 -1.358 2.676 1.00 0.00 C ATOM 661 CG2 VAL A 45 4.600 0.645 3.269 1.00 0.00 C ATOM 0 H VAL A 45 6.019 0.191 5.159 1.00 0.00 H new ATOM 0 HA VAL A 45 8.029 0.069 3.284 1.00 0.00 H new ATOM 0 HB VAL A 45 6.049 0.586 1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.098 -1.716 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.876 -1.705 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.920 -1.744 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.792 0.234 2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.494 0.302 4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.555 1.734 3.243 1.00 0.00 H new ATOM 671 N CYS A 46 6.879 3.143 3.593 1.00 0.00 N ATOM 672 CA CYS A 46 6.886 4.557 3.207 1.00 0.00 C ATOM 673 C CYS A 46 7.526 4.839 1.850 1.00 0.00 C ATOM 674 O CYS A 46 8.495 5.591 1.762 1.00 0.00 O ATOM 675 CB CYS A 46 7.511 5.436 4.301 1.00 0.00 C ATOM 676 SG CYS A 46 6.801 7.102 4.385 1.00 0.00 S ATOM 0 H CYS A 46 6.263 2.985 4.391 1.00 0.00 H new ATOM 0 HA CYS A 46 5.835 4.823 3.096 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.383 4.946 5.266 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.583 5.515 4.123 1.00 0.00 H new ATOM 681 N HIS A 47 6.996 4.256 0.772 1.00 0.00 N ATOM 682 CA HIS A 47 7.568 4.504 -0.543 1.00 0.00 C ATOM 683 C HIS A 47 6.872 5.726 -1.132 1.00 0.00 C ATOM 684 O HIS A 47 5.709 5.991 -0.827 1.00 0.00 O ATOM 685 CB HIS A 47 7.501 3.264 -1.446 1.00 0.00 C ATOM 686 CG HIS A 47 6.103 2.845 -1.798 1.00 0.00 C ATOM 687 ND1 HIS A 47 5.211 3.598 -2.522 1.00 0.00 N ATOM 688 CD2 HIS A 47 5.415 1.804 -1.240 1.00 0.00 C ATOM 689 CE1 HIS A 47 3.999 3.060 -2.352 1.00 0.00 C ATOM 690 NE2 HIS A 47 4.062 1.982 -1.550 1.00 0.00 N ATOM 0 H HIS A 47 6.194 3.626 0.785 1.00 0.00 H new ATOM 0 HA HIS A 47 8.634 4.715 -0.458 1.00 0.00 H new ATOM 0 HB2 HIS A 47 8.052 3.465 -2.365 1.00 0.00 H new ATOM 0 HB3 HIS A 47 8.004 2.435 -0.947 1.00 0.00 H new ATOM 0 HD1 HIS A 47 5.433 4.418 -3.086 1.00 0.00 H new ATOM 0 HD2 HIS A 47 5.838 0.993 -0.665 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.092 3.440 -2.798 1.00 0.00 H new ATOM 698 N GLN A 48 7.585 6.479 -1.967 1.00 0.00 N ATOM 699 CA GLN A 48 7.026 7.551 -2.778 1.00 0.00 C ATOM 700 C GLN A 48 5.691 7.130 -3.409 1.00 0.00 C ATOM 701 O GLN A 48 5.578 6.011 -3.910 1.00 0.00 O ATOM 702 CB GLN A 48 8.070 7.923 -3.835 1.00 0.00 C ATOM 703 CG GLN A 48 7.471 8.749 -4.969 1.00 0.00 C ATOM 704 CD GLN A 48 8.572 9.367 -5.821 1.00 0.00 C ATOM 705 OE1 GLN A 48 8.950 8.821 -6.854 1.00 0.00 O ATOM 706 NE2 GLN A 48 9.087 10.521 -5.407 1.00 0.00 N ATOM 0 H GLN A 48 8.589 6.356 -2.099 1.00 0.00 H new ATOM 0 HA GLN A 48 6.803 8.422 -2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.877 8.485 -3.365 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.511 7.014 -4.243 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.835 8.118 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.837 9.535 -4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.751 10.949 -4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.818 10.978 -5.952 1.00 0.00 H new ATOM 715 N ASP A 49 4.680 8.004 -3.367 1.00 0.00 N ATOM 716 CA ASP A 49 3.320 7.666 -3.763 1.00 0.00 C ATOM 717 C ASP A 49 2.500 8.943 -3.934 1.00 0.00 C ATOM 718 O ASP A 49 2.921 10.027 -3.537 1.00 0.00 O ATOM 719 CB ASP A 49 2.700 6.772 -2.670 1.00 0.00 C ATOM 720 CG ASP A 49 1.278 6.275 -2.940 1.00 0.00 C ATOM 721 OD1 ASP A 49 0.899 6.163 -4.126 1.00 0.00 O ATOM 722 OD2 ASP A 49 0.584 6.013 -1.935 1.00 0.00 O ATOM 0 H ASP A 49 4.789 8.969 -3.055 1.00 0.00 H new ATOM 0 HA ASP A 49 3.326 7.132 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.346 5.906 -2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.698 7.327 -1.732 1.00 0.00 H new ATOM 727 N CYS A 50 1.321 8.801 -4.530 1.00 0.00 N ATOM 728 CA CYS A 50 0.304 9.833 -4.585 1.00 0.00 C ATOM 729 C CYS A 50 -0.308 9.895 -3.185 1.00 0.00 C ATOM 730 O CYS A 50 -0.836 8.891 -2.715 1.00 0.00 O ATOM 731 CB CYS A 50 -0.705 9.476 -5.680 1.00 0.00 C ATOM 732 SG CYS A 50 -0.045 9.678 -7.353 1.00 0.00 S ATOM 0 H CYS A 50 1.043 7.939 -5.000 1.00 0.00 H new ATOM 0 HA CYS A 50 0.693 10.817 -4.844 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.027 8.443 -5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.590 10.102 -5.568 1.00 0.00 H new ATOM 737 N VAL A 51 -0.167 11.035 -2.499 1.00 0.00 N ATOM 738 CA VAL A 51 -0.646 11.282 -1.142 1.00 0.00 C ATOM 739 C VAL A 51 -1.713 12.379 -1.190 1.00 0.00 C ATOM 740 O VAL A 51 -1.778 13.133 -2.159 1.00 0.00 O ATOM 741 CB VAL A 51 0.539 11.619 -0.216 1.00 0.00 C ATOM 742 CG1 VAL A 51 1.064 13.045 -0.435 1.00 0.00 C ATOM 743 CG2 VAL A 51 0.179 11.429 1.263 1.00 0.00 C ATOM 0 H VAL A 51 0.307 11.846 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.112 10.390 -0.723 1.00 0.00 H new ATOM 0 HB VAL A 51 1.330 10.918 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.898 13.233 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.400 13.155 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.267 13.761 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.041 11.677 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.654 12.083 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.107 10.392 1.438 1.00 0.00 H new ATOM 753 N CYS A 52 -2.576 12.443 -0.172 1.00 0.00 N ATOM 754 CA CYS A 52 -3.764 13.290 -0.186 1.00 0.00 C ATOM 755 C CYS A 52 -3.444 14.766 -0.396 1.00 0.00 C ATOM 756 O CYS A 52 -2.442 15.273 0.104 1.00 0.00 O ATOM 757 CB CYS A 52 -4.574 13.132 1.099 1.00 0.00 C ATOM 758 SG CYS A 52 -5.051 11.465 1.577 1.00 0.00 S ATOM 0 H CYS A 52 -2.466 11.905 0.687 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.354 12.951 -1.038 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.997 13.565 1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.482 13.727 1.000 1.00 0.00 H new ATOM 763 N GLU A 53 -4.344 15.453 -1.103 1.00 0.00 N ATOM 764 CA GLU A 53 -4.361 16.899 -1.252 1.00 0.00 C ATOM 765 C GLU A 53 -4.428 17.567 0.125 1.00 0.00 C ATOM 766 O GLU A 53 -4.996 17.011 1.063 1.00 0.00 O ATOM 767 CB GLU A 53 -5.577 17.261 -2.115 1.00 0.00 C ATOM 768 CG GLU A 53 -5.748 18.759 -2.392 1.00 0.00 C ATOM 769 CD GLU A 53 -6.981 19.014 -3.254 1.00 0.00 C ATOM 770 OE1 GLU A 53 -7.068 18.371 -4.323 1.00 0.00 O ATOM 771 OE2 GLU A 53 -7.819 19.836 -2.826 1.00 0.00 O ATOM 0 H GLU A 53 -5.106 14.995 -1.603 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.452 17.255 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.497 16.737 -3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.477 16.892 -1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.839 19.299 -1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.861 19.144 -2.895 1.00 0.00 H new ATOM 778 N GLU A 54 -3.858 18.766 0.247 1.00 0.00 N ATOM 779 CA GLU A 54 -3.906 19.576 1.456 1.00 0.00 C ATOM 780 C GLU A 54 -5.336 19.625 2.012 1.00 0.00 C ATOM 781 O GLU A 54 -6.266 19.964 1.284 1.00 0.00 O ATOM 782 CB GLU A 54 -3.392 20.996 1.166 1.00 0.00 C ATOM 783 CG GLU A 54 -1.958 21.037 0.606 1.00 0.00 C ATOM 784 CD GLU A 54 -1.912 20.980 -0.921 1.00 0.00 C ATOM 785 OE1 GLU A 54 -2.001 19.850 -1.452 1.00 0.00 O ATOM 786 OE2 GLU A 54 -1.804 22.065 -1.529 1.00 0.00 O ATOM 0 H GLU A 54 -3.339 19.208 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.261 19.120 2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.063 21.477 0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.430 21.581 2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.467 21.949 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.391 20.200 1.013 1.00 0.00 H new ATOM 793 N GLY A 55 -5.515 19.257 3.285 1.00 0.00 N ATOM 794 CA GLY A 55 -6.820 19.236 3.939 1.00 0.00 C ATOM 795 C GLY A 55 -7.493 17.863 3.875 1.00 0.00 C ATOM 796 O GLY A 55 -8.379 17.582 4.686 1.00 0.00 O ATOM 0 H GLY A 55 -4.750 18.964 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.703 19.530 4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.469 19.976 3.470 1.00 0.00 H new ATOM 800 N PHE A 56 -7.075 17.007 2.937 1.00 0.00 N ATOM 801 CA PHE A 56 -7.553 15.641 2.800 1.00 0.00 C ATOM 802 C PHE A 56 -6.577 14.694 3.497 1.00 0.00 C ATOM 803 O PHE A 56 -5.388 14.995 3.606 1.00 0.00 O ATOM 804 CB PHE A 56 -7.748 15.277 1.321 1.00 0.00 C ATOM 805 CG PHE A 56 -8.847 16.040 0.605 1.00 0.00 C ATOM 806 CD1 PHE A 56 -8.667 17.393 0.259 1.00 0.00 C ATOM 807 CD2 PHE A 56 -9.998 15.360 0.166 1.00 0.00 C ATOM 808 CE1 PHE A 56 -9.655 18.071 -0.476 1.00 0.00 C ATOM 809 CE2 PHE A 56 -10.977 16.033 -0.582 1.00 0.00 C ATOM 810 CZ PHE A 56 -10.813 17.393 -0.893 1.00 0.00 C ATOM 0 H PHE A 56 -6.377 17.258 2.237 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.528 15.545 3.279 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.808 15.447 0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.964 14.211 1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.768 17.911 0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -10.129 14.315 0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.524 19.115 -0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.857 15.505 -0.919 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.575 17.916 -1.451 1.00 0.00 H new ATOM 820 N TYR A 57 -7.092 13.569 3.995 1.00 0.00 N ATOM 821 CA TYR A 57 -6.382 12.626 4.846 1.00 0.00 C ATOM 822 C TYR A 57 -6.748 11.200 4.444 1.00 0.00 C ATOM 823 O TYR A 57 -7.890 10.947 4.060 1.00 0.00 O ATOM 824 CB TYR A 57 -6.768 12.881 6.306 1.00 0.00 C ATOM 825 CG TYR A 57 -6.176 14.154 6.875 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.807 15.386 6.631 1.00 0.00 C ATOM 827 CD2 TYR A 57 -4.939 14.125 7.542 1.00 0.00 C ATOM 828 CE1 TYR A 57 -6.202 16.586 7.036 1.00 0.00 C ATOM 829 CE2 TYR A 57 -4.322 15.325 7.931 1.00 0.00 C ATOM 830 CZ TYR A 57 -4.953 16.555 7.680 1.00 0.00 C ATOM 831 OH TYR A 57 -4.350 17.714 8.067 1.00 0.00 O ATOM 0 H TYR A 57 -8.053 13.283 3.807 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.306 12.758 4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.854 12.929 6.383 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.442 12.036 6.912 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.763 15.409 6.129 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.463 13.179 7.755 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.694 17.530 6.853 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.361 15.302 8.424 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.494 17.509 8.498 1.00 0.00 H new ATOM 841 N ARG A 58 -5.770 10.289 4.536 1.00 0.00 N ATOM 842 CA ARG A 58 -5.844 8.876 4.187 1.00 0.00 C ATOM 843 C ARG A 58 -6.768 8.151 5.173 1.00 0.00 C ATOM 844 O ARG A 58 -6.299 7.311 5.941 1.00 0.00 O ATOM 845 CB ARG A 58 -4.429 8.243 4.251 1.00 0.00 C ATOM 846 CG ARG A 58 -3.302 8.957 3.493 1.00 0.00 C ATOM 847 CD ARG A 58 -3.385 8.757 1.976 1.00 0.00 C ATOM 848 NE ARG A 58 -2.707 7.540 1.519 1.00 0.00 N ATOM 849 CZ ARG A 58 -2.188 7.417 0.287 1.00 0.00 C ATOM 850 NH1 ARG A 58 -2.485 8.314 -0.652 1.00 0.00 N ATOM 851 NH2 ARG A 58 -1.382 6.400 -0.019 1.00 0.00 N ATOM 0 H ARG A 58 -4.845 10.544 4.881 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.238 8.779 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.138 8.173 5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.498 7.224 3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.339 10.023 3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.340 8.589 3.851 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.433 8.716 1.678 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.945 9.620 1.477 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.626 6.754 2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.106 9.093 -0.435 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.091 8.222 -1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.152 5.701 0.688 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.996 6.321 -0.960 1.00 0.00 H new ATOM 865 N ASN A 59 -8.068 8.456 5.190 1.00 0.00 N ATOM 866 CA ASN A 59 -8.969 7.760 6.101 1.00 0.00 C ATOM 867 C ASN A 59 -8.980 6.265 5.757 1.00 0.00 C ATOM 868 O ASN A 59 -8.789 5.901 4.595 1.00 0.00 O ATOM 869 CB ASN A 59 -10.367 8.392 6.063 1.00 0.00 C ATOM 870 CG ASN A 59 -11.304 7.798 7.111 1.00 0.00 C ATOM 871 OD1 ASN A 59 -10.867 7.105 8.023 1.00 0.00 O ATOM 872 ND2 ASN A 59 -12.604 8.053 7.006 1.00 0.00 N ATOM 0 H ASN A 59 -8.508 9.161 4.599 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.616 7.860 7.127 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.281 9.467 6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.799 8.252 5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.256 7.670 7.691 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.950 8.632 6.241 1.00 0.00 H new ATOM 879 N LYS A 60 -9.171 5.412 6.768 1.00 0.00 N ATOM 880 CA LYS A 60 -9.225 3.955 6.704 1.00 0.00 C ATOM 881 C LYS A 60 -8.000 3.329 6.022 1.00 0.00 C ATOM 882 O LYS A 60 -7.132 2.770 6.689 1.00 0.00 O ATOM 883 CB LYS A 60 -10.551 3.473 6.086 1.00 0.00 C ATOM 884 CG LYS A 60 -11.751 4.241 6.649 1.00 0.00 C ATOM 885 CD LYS A 60 -13.070 3.530 6.327 1.00 0.00 C ATOM 886 CE LYS A 60 -14.275 4.385 6.739 1.00 0.00 C ATOM 887 NZ LYS A 60 -14.286 4.668 8.186 1.00 0.00 N ATOM 0 H LYS A 60 -9.301 5.751 7.721 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.192 3.598 7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.515 3.598 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.677 2.408 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.645 4.344 7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.768 5.248 6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.120 3.317 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.106 2.572 6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.258 5.324 6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.195 3.870 6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.175 5.145 8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.209 3.776 8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.482 5.283 8.426 1.00 0.00 H new ATOM 901 N ASP A 61 -7.942 3.419 4.695 1.00 0.00 N ATOM 902 CA ASP A 61 -6.900 2.882 3.839 1.00 0.00 C ATOM 903 C ASP A 61 -6.907 3.686 2.541 1.00 0.00 C ATOM 904 O ASP A 61 -7.683 3.385 1.637 1.00 0.00 O ATOM 905 CB ASP A 61 -7.176 1.402 3.553 1.00 0.00 C ATOM 906 CG ASP A 61 -6.125 0.802 2.621 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.941 1.177 2.775 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.522 -0.033 1.781 1.00 0.00 O ATOM 0 H ASP A 61 -8.667 3.899 4.162 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.926 2.957 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.191 0.847 4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.164 1.296 3.104 1.00 0.00 H new ATOM 913 N ASP A 62 -6.067 4.721 2.467 1.00 0.00 N ATOM 914 CA ASP A 62 -6.028 5.689 1.374 1.00 0.00 C ATOM 915 C ASP A 62 -7.423 6.125 0.898 1.00 0.00 C ATOM 916 O ASP A 62 -7.666 6.278 -0.297 1.00 0.00 O ATOM 917 CB ASP A 62 -5.153 5.156 0.224 1.00 0.00 C ATOM 918 CG ASP A 62 -4.927 6.172 -0.901 1.00 0.00 C ATOM 919 OD1 ASP A 62 -5.142 7.380 -0.655 1.00 0.00 O ATOM 920 OD2 ASP A 62 -4.525 5.718 -1.994 1.00 0.00 O ATOM 0 H ASP A 62 -5.374 4.912 3.191 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.569 6.599 1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.187 4.851 0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.620 4.264 -0.193 1.00 0.00 H new ATOM 925 N LYS A 63 -8.355 6.359 1.826 1.00 0.00 N ATOM 926 CA LYS A 63 -9.605 7.000 1.466 1.00 0.00 C ATOM 927 C LYS A 63 -9.323 8.486 1.665 1.00 0.00 C ATOM 928 O LYS A 63 -9.562 9.010 2.751 1.00 0.00 O ATOM 929 CB LYS A 63 -10.783 6.488 2.314 1.00 0.00 C ATOM 930 CG LYS A 63 -10.908 4.958 2.346 1.00 0.00 C ATOM 931 CD LYS A 63 -11.226 4.365 0.968 1.00 0.00 C ATOM 932 CE LYS A 63 -11.245 2.832 1.005 1.00 0.00 C ATOM 933 NZ LYS A 63 -12.279 2.309 1.915 1.00 0.00 N ATOM 0 H LYS A 63 -8.264 6.116 2.812 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.914 6.781 0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.670 6.855 3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.709 6.910 1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.977 4.528 2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.692 4.675 3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.193 4.733 0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.483 4.703 0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.421 2.448 -0.000 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.268 2.466 1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.347 1.277 1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.025 2.538 2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.196 2.742 1.684 1.00 0.00 H new ATOM 947 N CYS A 64 -8.719 9.147 0.668 1.00 0.00 N ATOM 948 CA CYS A 64 -8.356 10.556 0.799 1.00 0.00 C ATOM 949 C CYS A 64 -9.614 11.404 0.894 1.00 0.00 C ATOM 950 O CYS A 64 -10.213 11.734 -0.127 1.00 0.00 O ATOM 951 CB CYS A 64 -7.441 11.064 -0.319 1.00 0.00 C ATOM 952 SG CYS A 64 -5.726 10.538 -0.163 1.00 0.00 S ATOM 0 H CYS A 64 -8.475 8.729 -0.230 1.00 0.00 H new ATOM 0 HA CYS A 64 -7.776 10.647 1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.830 10.719 -1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.475 12.153 -0.335 1.00 0.00 H new ATOM 957 N VAL A 65 -10.001 11.762 2.117 1.00 0.00 N ATOM 958 CA VAL A 65 -11.202 12.529 2.415 1.00 0.00 C ATOM 959 C VAL A 65 -10.812 13.737 3.255 1.00 0.00 C ATOM 960 O VAL A 65 -9.868 13.657 4.040 1.00 0.00 O ATOM 961 CB VAL A 65 -12.222 11.655 3.162 1.00 0.00 C ATOM 962 CG1 VAL A 65 -12.723 10.507 2.277 1.00 0.00 C ATOM 963 CG2 VAL A 65 -11.642 11.107 4.473 1.00 0.00 C ATOM 0 H VAL A 65 -9.468 11.517 2.952 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.667 12.865 1.488 1.00 0.00 H new ATOM 0 HB VAL A 65 -13.071 12.292 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.443 9.907 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -13.202 10.916 1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.881 9.882 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.391 10.494 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.762 10.501 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.360 11.937 5.121 1.00 0.00 H new ATOM 973 N SER A 66 -11.528 14.850 3.095 1.00 0.00 N ATOM 974 CA SER A 66 -11.372 16.040 3.911 1.00 0.00 C ATOM 975 C SER A 66 -11.366 15.663 5.398 1.00 0.00 C ATOM 976 O SER A 66 -12.206 14.860 5.809 1.00 0.00 O ATOM 977 CB SER A 66 -12.521 16.988 3.559 1.00 0.00 C ATOM 978 OG SER A 66 -12.711 16.965 2.153 1.00 0.00 O ATOM 0 H SER A 66 -12.246 14.945 2.377 1.00 0.00 H new ATOM 0 HA SER A 66 -10.422 16.536 3.714 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.434 16.682 4.069 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.293 18.000 3.894 1.00 0.00 H new ATOM 0 HG SER A 66 -11.840 16.988 1.705 1.00 0.00 H new ATOM 984 N ALA A 67 -10.428 16.228 6.177 1.00 0.00 N ATOM 985 CA ALA A 67 -10.202 15.951 7.603 1.00 0.00 C ATOM 986 C ALA A 67 -11.485 15.560 8.330 1.00 0.00 C ATOM 987 O ALA A 67 -11.585 14.488 8.917 1.00 0.00 O ATOM 988 CB ALA A 67 -9.586 17.186 8.272 1.00 0.00 C ATOM 0 H ALA A 67 -9.777 16.923 5.811 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.520 15.103 7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.418 16.981 9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.636 17.423 7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.265 18.032 8.170 1.00 0.00 H new ATOM 994 N GLU A 68 -12.467 16.452 8.222 1.00 0.00 N ATOM 995 CA GLU A 68 -13.863 16.319 8.605 1.00 0.00 C ATOM 996 C GLU A 68 -14.335 14.858 8.704 1.00 0.00 C ATOM 997 O GLU A 68 -14.799 14.427 9.756 1.00 0.00 O ATOM 998 CB GLU A 68 -14.711 17.103 7.586 1.00 0.00 C ATOM 999 CG GLU A 68 -14.127 18.486 7.235 1.00 0.00 C ATOM 1000 CD GLU A 68 -15.099 19.278 6.368 1.00 0.00 C ATOM 1001 OE1 GLU A 68 -15.006 19.116 5.132 1.00 0.00 O ATOM 1002 OE2 GLU A 68 -15.917 20.017 6.955 1.00 0.00 O ATOM 0 H GLU A 68 -12.283 17.374 7.825 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.983 16.726 9.609 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.804 16.514 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.717 17.233 7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.914 19.039 8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.180 18.363 6.709 1.00 0.00 H new ATOM 1009 N ASP A 69 -14.226 14.101 7.606 1.00 0.00 N ATOM 1010 CA ASP A 69 -14.651 12.706 7.560 1.00 0.00 C ATOM 1011 C ASP A 69 -13.663 11.818 8.311 1.00 0.00 C ATOM 1012 O ASP A 69 -14.062 10.941 9.074 1.00 0.00 O ATOM 1013 CB ASP A 69 -14.764 12.235 6.107 1.00 0.00 C ATOM 1014 CG ASP A 69 -15.302 10.808 6.038 1.00 0.00 C ATOM 1015 OD1 ASP A 69 -16.545 10.671 6.048 1.00 0.00 O ATOM 1016 OD2 ASP A 69 -14.467 9.879 5.979 1.00 0.00 O ATOM 0 H ASP A 69 -13.840 14.443 6.726 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.627 12.631 8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.423 12.904 5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.786 12.283 5.628 1.00 0.00 H new ATOM 1021 N CYS A 70 -12.367 12.042 8.079 1.00 0.00 N ATOM 1022 CA CYS A 70 -11.290 11.290 8.710 1.00 0.00 C ATOM 1023 C CYS A 70 -11.490 11.225 10.221 1.00 0.00 C ATOM 1024 O CYS A 70 -11.338 10.153 10.803 1.00 0.00 O ATOM 1025 CB CYS A 70 -9.911 11.847 8.314 1.00 0.00 C ATOM 1026 SG CYS A 70 -9.008 12.834 9.543 1.00 0.00 S ATOM 0 H CYS A 70 -12.036 12.763 7.437 1.00 0.00 H new ATOM 0 HA CYS A 70 -11.322 10.265 8.342 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.279 11.005 8.031 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.042 12.461 7.423 1.00 0.00 H new ATOM 1031 N GLU A 71 -11.897 12.341 10.840 1.00 0.00 N ATOM 1032 CA GLU A 71 -12.141 12.408 12.275 1.00 0.00 C ATOM 1033 C GLU A 71 -13.031 11.263 12.786 1.00 0.00 C ATOM 1034 O GLU A 71 -12.892 10.850 13.933 1.00 0.00 O ATOM 1035 CB GLU A 71 -12.749 13.760 12.683 1.00 0.00 C ATOM 1036 CG GLU A 71 -11.995 15.014 12.209 1.00 0.00 C ATOM 1037 CD GLU A 71 -10.482 14.972 12.419 1.00 0.00 C ATOM 1038 OE1 GLU A 71 -10.059 14.577 13.527 1.00 0.00 O ATOM 1039 OE2 GLU A 71 -9.771 15.371 11.472 1.00 0.00 O ATOM 0 H GLU A 71 -12.065 13.221 10.353 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.163 12.301 12.744 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.768 13.807 12.299 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.816 13.791 13.770 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.196 15.162 11.148 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.396 15.881 12.733 1.00 0.00 H new ATOM 1046 N LEU A 72 -13.948 10.743 11.961 1.00 0.00 N ATOM 1047 CA LEU A 72 -14.786 9.615 12.351 1.00 0.00 C ATOM 1048 C LEU A 72 -13.928 8.409 12.753 1.00 0.00 C ATOM 1049 O LEU A 72 -14.233 7.725 13.730 1.00 0.00 O ATOM 1050 CB LEU A 72 -15.744 9.238 11.211 1.00 0.00 C ATOM 1051 CG LEU A 72 -16.704 10.370 10.800 1.00 0.00 C ATOM 1052 CD1 LEU A 72 -17.447 9.959 9.524 1.00 0.00 C ATOM 1053 CD2 LEU A 72 -17.724 10.684 11.901 1.00 0.00 C ATOM 0 H LEU A 72 -14.125 11.090 11.018 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.377 9.914 13.217 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.158 8.939 10.342 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.330 8.371 11.514 1.00 0.00 H new ATOM 0 HG LEU A 72 -16.111 11.269 10.629 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -18.129 10.756 9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.727 9.781 8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -18.014 9.047 9.711 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.381 11.488 11.570 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -18.317 9.794 12.112 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -17.200 10.993 12.805 1.00 0.00 H new ATOM 1065 N ASP A 73 -12.841 8.146 12.022 1.00 0.00 N ATOM 1066 CA ASP A 73 -11.915 7.058 12.311 1.00 0.00 C ATOM 1067 C ASP A 73 -10.980 7.480 13.447 1.00 0.00 C ATOM 1068 O ASP A 73 -9.767 7.568 13.269 1.00 0.00 O ATOM 1069 CB ASP A 73 -11.155 6.703 11.024 1.00 0.00 C ATOM 1070 CG ASP A 73 -10.174 5.544 11.180 1.00 0.00 C ATOM 1071 OD1 ASP A 73 -10.384 4.728 12.105 1.00 0.00 O ATOM 1072 OD2 ASP A 73 -9.247 5.473 10.342 1.00 0.00 O ATOM 0 H ASP A 73 -12.580 8.693 11.202 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.446 6.165 12.643 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.876 6.452 10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.610 7.583 10.682 1.00 0.00 H new ATOM 1077 N ASN A 74 -11.552 7.774 14.617 1.00 0.00 N ATOM 1078 CA ASN A 74 -10.819 8.375 15.724 1.00 0.00 C ATOM 1079 C ASN A 74 -9.784 7.408 16.305 1.00 0.00 C ATOM 1080 O ASN A 74 -8.645 7.802 16.543 1.00 0.00 O ATOM 1081 CB ASN A 74 -11.781 8.922 16.788 1.00 0.00 C ATOM 1082 CG ASN A 74 -12.201 7.884 17.826 1.00 0.00 C ATOM 1083 OD1 ASN A 74 -12.763 6.848 17.480 1.00 0.00 O ATOM 1084 ND2 ASN A 74 -11.894 8.116 19.098 1.00 0.00 N ATOM 0 H ASN A 74 -12.537 7.601 14.820 1.00 0.00 H new ATOM 0 HA ASN A 74 -10.258 9.226 15.337 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.307 9.761 17.297 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.672 9.311 16.295 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.125 7.426 19.812 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.427 8.984 19.360 1.00 0.00 H new ATOM 1091 N MET A 75 -10.197 6.154 16.537 1.00 0.00 N ATOM 1092 CA MET A 75 -9.422 5.106 17.177 1.00 0.00 C ATOM 1093 C MET A 75 -8.730 5.646 18.423 1.00 0.00 C ATOM 1094 O MET A 75 -7.508 5.746 18.494 1.00 0.00 O ATOM 1095 CB MET A 75 -8.531 4.330 16.193 1.00 0.00 C ATOM 1096 CG MET A 75 -7.610 5.176 15.310 1.00 0.00 C ATOM 1097 SD MET A 75 -6.507 4.181 14.275 1.00 0.00 S ATOM 1098 CE MET A 75 -5.744 5.485 13.296 1.00 0.00 C ATOM 0 H MET A 75 -11.128 5.837 16.266 1.00 0.00 H new ATOM 0 HA MET A 75 -10.100 4.331 17.534 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.916 3.633 16.763 1.00 0.00 H new ATOM 0 HB3 MET A 75 -9.173 3.732 15.546 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.217 5.817 14.671 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.012 5.831 15.943 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.030 5.046 12.599 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.514 6.019 12.739 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.226 6.180 13.957 1.00 0.00 H new ATOM 1108 N ASP A 76 -9.560 6.004 19.408 1.00 0.00 N ATOM 1109 CA ASP A 76 -9.187 6.406 20.759 1.00 0.00 C ATOM 1110 C ASP A 76 -8.698 7.849 20.820 1.00 0.00 C ATOM 1111 O ASP A 76 -9.086 8.580 21.729 1.00 0.00 O ATOM 1112 CB ASP A 76 -8.178 5.436 21.373 1.00 0.00 C ATOM 1113 CG ASP A 76 -7.918 5.772 22.838 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -7.037 6.628 23.080 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -8.611 5.173 23.688 1.00 0.00 O ATOM 0 H ASP A 76 -10.571 6.020 19.270 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.092 6.361 21.364 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.553 4.416 21.291 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.242 5.477 20.815 1.00 0.00 H new ATOM 1120 N PHE A 77 -7.875 8.267 19.858 1.00 0.00 N ATOM 1121 CA PHE A 77 -7.508 9.668 19.693 1.00 0.00 C ATOM 1122 C PHE A 77 -8.766 10.526 19.494 1.00 0.00 C ATOM 1123 O PHE A 77 -9.861 9.991 19.332 1.00 0.00 O ATOM 1124 CB PHE A 77 -6.549 9.805 18.507 1.00 0.00 C ATOM 1125 CG PHE A 77 -5.440 8.767 18.461 1.00 0.00 C ATOM 1126 CD1 PHE A 77 -4.640 8.533 19.596 1.00 0.00 C ATOM 1127 CD2 PHE A 77 -5.332 7.909 17.349 1.00 0.00 C ATOM 1128 CE1 PHE A 77 -3.745 7.449 19.619 1.00 0.00 C ATOM 1129 CE2 PHE A 77 -4.434 6.828 17.371 1.00 0.00 C ATOM 1130 CZ PHE A 77 -3.648 6.591 18.511 1.00 0.00 C ATOM 0 H PHE A 77 -7.446 7.643 19.174 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.003 10.023 20.591 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -7.124 9.743 17.583 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.098 10.797 18.535 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.714 9.188 20.451 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.942 8.083 16.475 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.131 7.276 20.490 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.348 6.180 16.512 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.970 5.750 18.535 1.00 0.00 H new ATOM 1140 N ILE A 78 -8.613 11.854 19.489 1.00 0.00 N ATOM 1141 CA ILE A 78 -9.731 12.797 19.508 1.00 0.00 C ATOM 1142 C ILE A 78 -10.363 12.769 20.899 1.00 0.00 C ATOM 1143 O ILE A 78 -11.465 12.266 21.109 1.00 0.00 O ATOM 1144 CB ILE A 78 -10.758 12.594 18.369 1.00 0.00 C ATOM 1145 CG1 ILE A 78 -10.016 12.486 17.025 1.00 0.00 C ATOM 1146 CG2 ILE A 78 -11.798 13.730 18.363 1.00 0.00 C ATOM 1147 CD1 ILE A 78 -10.954 12.480 15.823 1.00 0.00 C ATOM 0 H ILE A 78 -7.699 12.307 19.471 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.338 13.793 19.306 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.305 11.666 18.533 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.321 13.321 16.932 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -9.420 11.573 17.018 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.510 13.567 17.554 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.328 13.743 19.316 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.293 14.685 18.215 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.370 12.402 14.906 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.632 11.630 15.895 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.532 13.404 15.808 1.00 0.00 H new ATOM 1159 N TYR A 79 -9.635 13.329 21.860 1.00 0.00 N ATOM 1160 CA TYR A 79 -10.138 13.601 23.191 1.00 0.00 C ATOM 1161 C TYR A 79 -10.923 14.918 23.107 1.00 0.00 C ATOM 1162 O TYR A 79 -10.793 15.644 22.117 1.00 0.00 O ATOM 1163 CB TYR A 79 -8.926 13.670 24.133 1.00 0.00 C ATOM 1164 CG TYR A 79 -8.011 12.462 24.008 1.00 0.00 C ATOM 1165 CD1 TYR A 79 -8.513 11.177 24.287 1.00 0.00 C ATOM 1166 CD2 TYR A 79 -6.741 12.596 23.416 1.00 0.00 C ATOM 1167 CE1 TYR A 79 -7.741 10.040 24.003 1.00 0.00 C ATOM 1168 CE2 TYR A 79 -5.983 11.453 23.103 1.00 0.00 C ATOM 1169 CZ TYR A 79 -6.491 10.173 23.377 1.00 0.00 C ATOM 1170 OH TYR A 79 -5.809 9.071 22.957 1.00 0.00 O ATOM 0 H TYR A 79 -8.663 13.609 21.728 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.809 12.834 23.578 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.357 14.575 23.919 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.276 13.750 25.162 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.496 11.066 24.721 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.348 13.579 23.202 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.109 9.060 24.267 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.008 11.560 22.651 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.408 8.295 22.959 1.00 0.00 H new ATOM 1180 N PRO A 80 -11.753 15.266 24.103 1.00 0.00 N ATOM 1181 CA PRO A 80 -12.400 16.568 24.144 1.00 0.00 C ATOM 1182 C PRO A 80 -11.330 17.655 24.305 1.00 0.00 C ATOM 1183 O PRO A 80 -10.978 18.042 25.420 1.00 0.00 O ATOM 1184 CB PRO A 80 -13.391 16.502 25.312 1.00 0.00 C ATOM 1185 CG PRO A 80 -12.790 15.435 26.226 1.00 0.00 C ATOM 1186 CD PRO A 80 -12.154 14.455 25.240 1.00 0.00 C ATOM 0 HA PRO A 80 -12.940 16.818 23.231 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.479 17.463 25.819 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -14.391 16.227 24.976 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.052 15.857 26.908 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.552 14.953 26.839 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.297 13.949 25.685 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.861 13.681 24.942 1.00 0.00 H new ATOM 1194 N GLY A 81 -10.763 18.103 23.179 1.00 0.00 N ATOM 1195 CA GLY A 81 -9.685 19.076 23.136 1.00 0.00 C ATOM 1196 C GLY A 81 -8.365 18.409 23.508 1.00 0.00 C ATOM 1197 O GLY A 81 -7.424 18.392 22.719 1.00 0.00 O ATOM 0 H GLY A 81 -11.054 17.786 22.254 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.615 19.509 22.138 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.895 19.894 23.825 1.00 0.00 H new ATOM 1201 N THR A 82 -8.292 17.880 24.729 1.00 0.00 N ATOM 1202 CA THR A 82 -7.117 17.219 25.287 1.00 0.00 C ATOM 1203 C THR A 82 -7.501 16.279 26.438 1.00 0.00 C ATOM 1204 O THR A 82 -6.813 15.289 26.679 1.00 0.00 O ATOM 1205 CB THR A 82 -6.091 18.269 25.760 1.00 0.00 C ATOM 1206 OG1 THR A 82 -5.887 19.271 24.784 1.00 0.00 O ATOM 1207 CG2 THR A 82 -4.729 17.645 26.073 1.00 0.00 C ATOM 0 H THR A 82 -9.078 17.902 25.378 1.00 0.00 H new ATOM 0 HA THR A 82 -6.663 16.613 24.503 1.00 0.00 H new ATOM 0 HB THR A 82 -6.513 18.703 26.666 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.233 19.922 25.115 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.040 18.422 26.402 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.842 16.902 26.863 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.334 17.165 25.177 1.00 0.00 H new ATOM 1215 N ARG A 83 -8.572 16.590 27.181 1.00 0.00 N ATOM 1216 CA ARG A 83 -8.909 15.901 28.421 1.00 0.00 C ATOM 1217 C ARG A 83 -9.419 14.478 28.156 1.00 0.00 C ATOM 1218 O ARG A 83 -10.618 14.217 28.213 1.00 0.00 O ATOM 1219 CB ARG A 83 -9.918 16.752 29.207 1.00 0.00 C ATOM 1220 CG ARG A 83 -10.159 16.207 30.623 1.00 0.00 C ATOM 1221 CD ARG A 83 -11.236 17.018 31.355 1.00 0.00 C ATOM 1222 NE ARG A 83 -12.507 17.052 30.614 1.00 0.00 N ATOM 1223 CZ ARG A 83 -13.363 16.028 30.482 1.00 0.00 C ATOM 1224 NH1 ARG A 83 -13.124 14.856 31.080 1.00 0.00 N ATOM 1225 NH2 ARG A 83 -14.466 16.187 29.743 1.00 0.00 N ATOM 0 H ARG A 83 -9.228 17.331 26.932 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.011 15.783 29.027 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.554 17.777 29.271 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.864 16.783 28.666 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.463 15.162 30.566 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.229 16.238 31.190 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.404 16.587 32.342 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.880 18.037 31.508 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.759 17.931 30.161 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.283 14.733 31.644 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.783 14.085 30.972 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.650 17.080 29.286 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.124 15.415 29.636 1.00 0.00 H new ATOM 1239 N ASN A 84 -8.501 13.546 27.895 1.00 0.00 N ATOM 1240 CA ASN A 84 -8.783 12.117 27.831 1.00 0.00 C ATOM 1241 C ASN A 84 -9.610 11.689 29.054 1.00 0.00 C ATOM 1242 O ASN A 84 -9.080 11.740 30.166 1.00 0.00 O ATOM 1243 CB ASN A 84 -7.456 11.343 27.784 1.00 0.00 C ATOM 1244 CG ASN A 84 -7.664 9.838 27.946 1.00 0.00 C ATOM 1245 OD1 ASN A 84 -7.879 9.379 29.176 1.00 0.00 O flip ATOM 1246 ND2 ASN A 84 -7.638 9.090 26.977 1.00 0.00 N flip ATOM 0 H ASN A 84 -7.522 13.771 27.719 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.359 11.897 26.932 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.955 11.540 26.836 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.797 11.705 28.573 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.471 9.469 26.045 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.783 8.088 27.102 1.00 0.00 H new ATOM 1253 N PRO A 85 -10.870 11.252 28.893 1.00 0.00 N ATOM 1254 CA PRO A 85 -11.717 10.897 30.018 1.00 0.00 C ATOM 1255 C PRO A 85 -11.231 9.606 30.684 1.00 0.00 C ATOM 1256 O PRO A 85 -10.788 8.701 29.942 1.00 0.00 O ATOM 1257 CB PRO A 85 -13.125 10.752 29.433 1.00 0.00 C ATOM 1258 CG PRO A 85 -12.862 10.313 27.993 1.00 0.00 C ATOM 1259 CD PRO A 85 -11.574 11.056 27.635 1.00 0.00 C ATOM 1260 OXT PRO A 85 -11.325 9.543 31.929 1.00 0.00 O ATOM 0 HA PRO A 85 -11.697 11.652 30.804 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -13.713 10.014 29.978 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -13.676 11.691 29.473 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -12.739 9.233 27.917 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.683 10.588 27.331 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.971 10.479 26.935 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.793 12.010 27.156 1.00 0.00 H new TER 1268 PRO A 85