USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 389 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 2 GLN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Set 1.2: A 16 THR OG1 : rot 180:sc= -1.14 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.869 K(o=-1.3,f=-2.5) USER MOD Set 2.2: A 14 SER OG : rot 180:sc= -0.403 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.0881 (180deg=0.00856) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00216) USER MOD Single : A 5 THR OG1 : rot -92:sc= 0.594 USER MOD Single : A 7 SER OG : rot 180:sc=-0.00528 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc=-0.00129 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.91 F(o=-3.6!,f=-1.9) USER MOD Single : A 26 LYS NZ :NH3+ -115:sc= -0.416 (180deg=-2.36!) USER MOD Single : A 28 SER OG : rot -1:sc= 0.931 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 180:sc= 0.0857 USER MOD Single : A 62 THR OG1 : rot 61:sc= 0.171 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.793 USER MOD Single : A 65 ASN :FLIP amide:sc= 0.7 F(o=-0.69,f=0.7) USER MOD Single : A 67 ASN : amide:sc= -13.7! C(o=-14!,f=-16!) USER MOD Single : A 68 HIS : no HD1:sc= -0.62 X(o=-0.62,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.214 11.103 -3.950 1.00 0.00 N ATOM 2 CA MET A 1 9.528 11.144 -2.493 1.00 0.00 C ATOM 3 C MET A 1 10.032 9.777 -2.039 1.00 0.00 C ATOM 4 O MET A 1 10.317 8.904 -2.836 1.00 0.00 O ATOM 5 CB MET A 1 8.263 11.490 -1.703 1.00 0.00 C ATOM 6 CG MET A 1 8.017 12.998 -1.767 1.00 0.00 C ATOM 7 SD MET A 1 6.627 13.429 -0.691 1.00 0.00 S ATOM 8 CE MET A 1 7.425 14.806 0.171 1.00 0.00 C ATOM 0 H1 MET A 1 9.726 11.866 -4.437 1.00 0.00 H new ATOM 0 H2 MET A 1 9.506 10.185 -4.342 1.00 0.00 H new ATOM 0 H3 MET A 1 8.191 11.229 -4.088 1.00 0.00 H new ATOM 0 HA MET A 1 10.293 11.899 -2.316 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.407 10.954 -2.113 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.371 11.172 -0.666 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.912 13.537 -1.456 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.804 13.299 -2.793 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.733 15.230 0.898 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.316 14.446 0.686 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.708 15.572 -0.551 1.00 0.00 H new ATOM 20 N GLN A 2 10.130 9.576 -0.758 1.00 0.00 N ATOM 21 CA GLN A 2 10.592 8.271 -0.249 1.00 0.00 C ATOM 22 C GLN A 2 9.495 7.691 0.629 1.00 0.00 C ATOM 23 O GLN A 2 9.204 8.201 1.691 1.00 0.00 O ATOM 24 CB GLN A 2 11.880 8.423 0.572 1.00 0.00 C ATOM 25 CG GLN A 2 12.550 9.759 0.256 1.00 0.00 C ATOM 26 CD GLN A 2 13.548 10.107 1.363 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.423 9.323 1.674 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.452 11.255 1.974 1.00 0.00 N ATOM 0 H GLN A 2 9.907 10.267 -0.042 1.00 0.00 H new ATOM 0 HA GLN A 2 10.806 7.611 -1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.651 8.365 1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.562 7.603 0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 2 13.062 9.702 -0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.798 10.543 0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.717 11.912 1.712 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.112 11.496 2.714 1.00 0.00 H new ATOM 37 N CYS A 3 8.880 6.636 0.199 1.00 0.00 N ATOM 38 CA CYS A 3 7.800 6.038 1.022 1.00 0.00 C ATOM 39 C CYS A 3 8.069 4.531 1.173 1.00 0.00 C ATOM 40 O CYS A 3 9.041 4.018 0.665 1.00 0.00 O ATOM 41 CB CYS A 3 6.422 6.301 0.363 1.00 0.00 C ATOM 42 SG CYS A 3 5.917 4.898 -0.663 1.00 0.00 S ATOM 0 H CYS A 3 9.075 6.161 -0.682 1.00 0.00 H new ATOM 0 HA CYS A 3 7.785 6.495 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.674 6.480 1.135 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.473 7.203 -0.247 1.00 0.00 H new ATOM 47 N LYS A 4 7.222 3.817 1.862 1.00 0.00 N ATOM 48 CA LYS A 4 7.456 2.351 2.019 1.00 0.00 C ATOM 49 C LYS A 4 6.318 1.570 1.352 1.00 0.00 C ATOM 50 O LYS A 4 5.195 1.569 1.815 1.00 0.00 O ATOM 51 CB LYS A 4 7.527 1.995 3.506 1.00 0.00 C ATOM 52 CG LYS A 4 8.925 1.464 3.830 1.00 0.00 C ATOM 53 CD LYS A 4 9.033 1.170 5.327 1.00 0.00 C ATOM 54 CE LYS A 4 10.499 1.261 5.761 1.00 0.00 C ATOM 55 NZ LYS A 4 10.595 2.049 7.023 1.00 0.00 N ATOM 0 H LYS A 4 6.385 4.179 2.320 1.00 0.00 H new ATOM 0 HA LYS A 4 8.399 2.086 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.309 2.873 4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.775 1.245 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.122 0.558 3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.679 2.196 3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.430 1.881 5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.640 0.177 5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.908 0.262 5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.093 1.734 4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.592 2.126 7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.205 3.001 6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.055 1.571 7.773 1.00 0.00 H new ATOM 69 N THR A 5 6.601 0.905 0.262 1.00 0.00 N ATOM 70 CA THR A 5 5.537 0.125 -0.436 1.00 0.00 C ATOM 71 C THR A 5 6.121 -1.195 -0.944 1.00 0.00 C ATOM 72 O THR A 5 5.840 -1.627 -2.044 1.00 0.00 O ATOM 73 CB THR A 5 5.005 0.933 -1.622 1.00 0.00 C ATOM 74 OG1 THR A 5 6.010 1.832 -2.070 1.00 0.00 O ATOM 75 CG2 THR A 5 3.766 1.719 -1.190 1.00 0.00 C ATOM 0 H THR A 5 7.522 0.869 -0.174 1.00 0.00 H new ATOM 0 HA THR A 5 4.724 -0.080 0.260 1.00 0.00 H new ATOM 0 HB THR A 5 4.737 0.256 -2.434 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.907 2.692 -1.612 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.387 2.294 -2.035 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.997 1.027 -0.849 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.030 2.397 -0.378 1.00 0.00 H new ATOM 83 N CYS A 6 6.935 -1.840 -0.154 1.00 0.00 N ATOM 84 CA CYS A 6 7.536 -3.129 -0.599 1.00 0.00 C ATOM 85 C CYS A 6 6.435 -4.154 -0.845 1.00 0.00 C ATOM 86 O CYS A 6 5.322 -4.013 -0.383 1.00 0.00 O ATOM 87 CB CYS A 6 8.485 -3.665 0.472 1.00 0.00 C ATOM 88 SG CYS A 6 7.636 -3.732 2.072 1.00 0.00 S ATOM 0 H CYS A 6 7.209 -1.531 0.778 1.00 0.00 H new ATOM 0 HA CYS A 6 8.091 -2.955 -1.521 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.836 -4.659 0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 6 9.365 -3.025 0.544 1.00 0.00 H new ATOM 93 N SER A 7 6.749 -5.190 -1.567 1.00 0.00 N ATOM 94 CA SER A 7 5.730 -6.243 -1.851 1.00 0.00 C ATOM 95 C SER A 7 5.286 -6.882 -0.538 1.00 0.00 C ATOM 96 O SER A 7 4.167 -7.336 -0.401 1.00 0.00 O ATOM 97 CB SER A 7 6.341 -7.313 -2.757 1.00 0.00 C ATOM 98 OG SER A 7 6.986 -8.294 -1.956 1.00 0.00 O ATOM 0 H SER A 7 7.669 -5.356 -1.975 1.00 0.00 H new ATOM 0 HA SER A 7 4.870 -5.794 -2.349 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.565 -7.777 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.056 -6.860 -3.443 1.00 0.00 H new ATOM 0 HG SER A 7 7.377 -8.982 -2.534 1.00 0.00 H new ATOM 104 N PHE A 8 6.156 -6.917 0.432 1.00 0.00 N ATOM 105 CA PHE A 8 5.787 -7.522 1.740 1.00 0.00 C ATOM 106 C PHE A 8 4.932 -6.531 2.529 1.00 0.00 C ATOM 107 O PHE A 8 4.781 -5.386 2.151 1.00 0.00 O ATOM 108 CB PHE A 8 7.059 -7.837 2.529 1.00 0.00 C ATOM 109 CG PHE A 8 7.565 -9.206 2.143 1.00 0.00 C ATOM 110 CD1 PHE A 8 6.822 -10.345 2.475 1.00 0.00 C ATOM 111 CD2 PHE A 8 8.777 -9.338 1.453 1.00 0.00 C ATOM 112 CE1 PHE A 8 7.289 -11.615 2.117 1.00 0.00 C ATOM 113 CE2 PHE A 8 9.245 -10.609 1.096 1.00 0.00 C ATOM 114 CZ PHE A 8 8.500 -11.747 1.428 1.00 0.00 C ATOM 0 H PHE A 8 7.107 -6.552 0.375 1.00 0.00 H new ATOM 0 HA PHE A 8 5.224 -8.441 1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 8 7.821 -7.085 2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.854 -7.802 3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.888 -10.244 3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 8 9.351 -8.460 1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.715 -12.493 2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.180 -10.711 0.565 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.860 -12.727 1.152 1.00 0.00 H new ATOM 124 N TYR A 9 4.379 -6.959 3.628 1.00 0.00 N ATOM 125 CA TYR A 9 3.542 -6.034 4.450 1.00 0.00 C ATOM 126 C TYR A 9 4.418 -5.445 5.553 1.00 0.00 C ATOM 127 O TYR A 9 3.958 -5.140 6.635 1.00 0.00 O ATOM 128 CB TYR A 9 2.359 -6.786 5.085 1.00 0.00 C ATOM 129 CG TYR A 9 2.406 -8.253 4.727 1.00 0.00 C ATOM 130 CD1 TYR A 9 1.951 -8.682 3.475 1.00 0.00 C ATOM 131 CD2 TYR A 9 2.907 -9.184 5.646 1.00 0.00 C ATOM 132 CE1 TYR A 9 1.994 -10.041 3.141 1.00 0.00 C ATOM 133 CE2 TYR A 9 2.950 -10.543 5.312 1.00 0.00 C ATOM 134 CZ TYR A 9 2.494 -10.972 4.060 1.00 0.00 C ATOM 135 OH TYR A 9 2.538 -12.310 3.729 1.00 0.00 O ATOM 0 H TYR A 9 4.468 -7.907 3.995 1.00 0.00 H new ATOM 0 HA TYR A 9 3.143 -5.246 3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.387 -6.670 6.168 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.420 -6.353 4.742 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.566 -7.964 2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.260 -8.854 6.612 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.642 -10.371 2.175 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.335 -11.261 6.021 1.00 0.00 H new ATOM 0 HH TYR A 9 2.913 -12.820 4.477 1.00 0.00 H new ATOM 145 N THR A 10 5.683 -5.295 5.282 1.00 0.00 N ATOM 146 CA THR A 10 6.611 -4.741 6.304 1.00 0.00 C ATOM 147 C THR A 10 8.011 -4.650 5.698 1.00 0.00 C ATOM 148 O THR A 10 8.713 -5.635 5.584 1.00 0.00 O ATOM 149 CB THR A 10 6.638 -5.673 7.520 1.00 0.00 C ATOM 150 OG1 THR A 10 7.897 -5.566 8.169 1.00 0.00 O ATOM 151 CG2 THR A 10 6.417 -7.115 7.061 1.00 0.00 C ATOM 0 H THR A 10 6.117 -5.534 4.390 1.00 0.00 H new ATOM 0 HA THR A 10 6.278 -3.751 6.616 1.00 0.00 H new ATOM 0 HB THR A 10 5.848 -5.390 8.215 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.915 -6.160 8.948 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.436 -7.779 7.925 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.450 -7.194 6.564 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.207 -7.401 6.366 1.00 0.00 H new ATOM 159 N CYS A 11 8.418 -3.479 5.295 1.00 0.00 N ATOM 160 CA CYS A 11 9.768 -3.334 4.680 1.00 0.00 C ATOM 161 C CYS A 11 10.794 -2.978 5.761 1.00 0.00 C ATOM 162 O CYS A 11 10.767 -1.887 6.295 1.00 0.00 O ATOM 163 CB CYS A 11 9.754 -2.214 3.628 1.00 0.00 C ATOM 164 SG CYS A 11 8.083 -1.977 2.970 1.00 0.00 S ATOM 0 H CYS A 11 7.876 -2.618 5.364 1.00 0.00 H new ATOM 0 HA CYS A 11 10.036 -4.278 4.206 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.110 -1.285 4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.438 -2.461 2.817 1.00 0.00 H new ATOM 169 N PRO A 12 11.684 -3.898 6.043 1.00 0.00 N ATOM 170 CA PRO A 12 12.741 -3.686 7.043 1.00 0.00 C ATOM 171 C PRO A 12 13.819 -2.778 6.451 1.00 0.00 C ATOM 172 O PRO A 12 14.587 -2.159 7.160 1.00 0.00 O ATOM 173 CB PRO A 12 13.284 -5.093 7.306 1.00 0.00 C ATOM 174 CG PRO A 12 12.911 -5.938 6.065 1.00 0.00 C ATOM 175 CD PRO A 12 11.724 -5.224 5.393 1.00 0.00 C ATOM 0 HA PRO A 12 12.393 -3.207 7.958 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.364 -5.072 7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.847 -5.516 8.211 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.755 -6.016 5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.640 -6.954 6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.870 -5.136 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.793 -5.770 5.545 1.00 0.00 H new ATOM 183 N ASN A 13 13.865 -2.688 5.151 1.00 0.00 N ATOM 184 CA ASN A 13 14.876 -1.812 4.498 1.00 0.00 C ATOM 185 C ASN A 13 14.228 -0.458 4.184 1.00 0.00 C ATOM 186 O ASN A 13 13.964 0.327 5.075 1.00 0.00 O ATOM 187 CB ASN A 13 15.373 -2.474 3.209 1.00 0.00 C ATOM 188 CG ASN A 13 16.409 -1.572 2.538 1.00 0.00 C ATOM 189 OD1 ASN A 13 17.093 -0.816 3.200 1.00 0.00 O ATOM 190 ND2 ASN A 13 16.557 -1.618 1.242 1.00 0.00 N ATOM 0 H ASN A 13 13.244 -3.185 4.512 1.00 0.00 H new ATOM 0 HA ASN A 13 15.727 -1.661 5.163 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.812 -3.446 3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.537 -2.651 2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 13 17.246 -1.020 0.786 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.984 -2.252 0.685 1.00 0.00 H new ATOM 197 N SER A 14 13.959 -0.168 2.937 1.00 0.00 N ATOM 198 CA SER A 14 13.322 1.137 2.606 1.00 0.00 C ATOM 199 C SER A 14 13.129 1.250 1.091 1.00 0.00 C ATOM 200 O SER A 14 13.893 0.708 0.317 1.00 0.00 O ATOM 201 CB SER A 14 14.218 2.276 3.091 1.00 0.00 C ATOM 202 OG SER A 14 15.553 1.803 3.211 1.00 0.00 O ATOM 0 H SER A 14 14.152 -0.775 2.140 1.00 0.00 H new ATOM 0 HA SER A 14 12.351 1.199 3.098 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.177 3.110 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.864 2.649 4.052 1.00 0.00 H new ATOM 0 HG SER A 14 16.131 2.531 3.521 1.00 0.00 H new ATOM 208 N GLU A 15 12.121 1.960 0.664 1.00 0.00 N ATOM 209 CA GLU A 15 11.891 2.118 -0.799 1.00 0.00 C ATOM 210 C GLU A 15 11.625 3.588 -1.116 1.00 0.00 C ATOM 211 O GLU A 15 10.502 4.057 -1.091 1.00 0.00 O ATOM 212 CB GLU A 15 10.696 1.273 -1.237 1.00 0.00 C ATOM 213 CG GLU A 15 11.035 0.590 -2.563 1.00 0.00 C ATOM 214 CD GLU A 15 9.825 0.645 -3.495 1.00 0.00 C ATOM 215 OE1 GLU A 15 8.806 1.177 -3.084 1.00 0.00 O ATOM 216 OE2 GLU A 15 9.936 0.154 -4.607 1.00 0.00 O ATOM 0 H GLU A 15 11.448 2.437 1.264 1.00 0.00 H new ATOM 0 HA GLU A 15 12.777 1.783 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.462 0.527 -0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.812 1.900 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.888 1.083 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.323 -0.446 -2.386 1.00 0.00 H new ATOM 223 N THR A 16 12.655 4.323 -1.406 1.00 0.00 N ATOM 224 CA THR A 16 12.473 5.764 -1.714 1.00 0.00 C ATOM 225 C THR A 16 11.809 5.927 -3.085 1.00 0.00 C ATOM 226 O THR A 16 12.441 5.756 -4.109 1.00 0.00 O ATOM 227 CB THR A 16 13.839 6.456 -1.725 1.00 0.00 C ATOM 228 OG1 THR A 16 14.337 6.538 -0.397 1.00 0.00 O ATOM 229 CG2 THR A 16 13.696 7.864 -2.307 1.00 0.00 C ATOM 0 H THR A 16 13.618 3.988 -1.443 1.00 0.00 H new ATOM 0 HA THR A 16 11.836 6.216 -0.953 1.00 0.00 H new ATOM 0 HB THR A 16 14.533 5.881 -2.339 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.212 6.979 -0.402 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.669 8.355 -2.314 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.315 7.799 -3.326 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.002 8.442 -1.696 1.00 0.00 H new ATOM 237 N CYS A 17 10.546 6.272 -3.120 1.00 0.00 N ATOM 238 CA CYS A 17 9.868 6.463 -4.435 1.00 0.00 C ATOM 239 C CYS A 17 10.792 7.303 -5.319 1.00 0.00 C ATOM 240 O CYS A 17 11.713 7.921 -4.826 1.00 0.00 O ATOM 241 CB CYS A 17 8.525 7.179 -4.220 1.00 0.00 C ATOM 242 SG CYS A 17 7.602 6.360 -2.889 1.00 0.00 S ATOM 0 H CYS A 17 9.960 6.428 -2.300 1.00 0.00 H new ATOM 0 HA CYS A 17 9.668 5.505 -4.914 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.696 8.225 -3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.943 7.165 -5.141 1.00 0.00 H new ATOM 247 N PRO A 18 10.539 7.287 -6.598 1.00 0.00 N ATOM 248 CA PRO A 18 11.364 8.029 -7.565 1.00 0.00 C ATOM 249 C PRO A 18 11.110 9.535 -7.455 1.00 0.00 C ATOM 250 O PRO A 18 10.314 9.981 -6.654 1.00 0.00 O ATOM 251 CB PRO A 18 10.923 7.465 -8.918 1.00 0.00 C ATOM 252 CG PRO A 18 9.525 6.845 -8.703 1.00 0.00 C ATOM 253 CD PRO A 18 9.409 6.547 -7.198 1.00 0.00 C ATOM 0 HA PRO A 18 12.435 7.912 -7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.886 8.251 -9.672 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.629 6.715 -9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.742 7.532 -9.024 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.410 5.933 -9.289 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.453 6.884 -6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.480 5.478 -6.996 1.00 0.00 H new ATOM 261 N ASP A 19 11.801 10.324 -8.239 1.00 0.00 N ATOM 262 CA ASP A 19 11.617 11.803 -8.162 1.00 0.00 C ATOM 263 C ASP A 19 10.420 12.230 -9.004 1.00 0.00 C ATOM 264 O ASP A 19 10.551 12.910 -10.003 1.00 0.00 O ATOM 265 CB ASP A 19 12.863 12.508 -8.672 1.00 0.00 C ATOM 266 CG ASP A 19 13.387 11.796 -9.920 1.00 0.00 C ATOM 267 OD1 ASP A 19 12.906 12.104 -10.999 1.00 0.00 O ATOM 268 OD2 ASP A 19 14.259 10.955 -9.778 1.00 0.00 O ATOM 0 H ASP A 19 12.483 10.007 -8.928 1.00 0.00 H new ATOM 0 HA ASP A 19 11.442 12.077 -7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.634 13.548 -8.905 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.630 12.516 -7.898 1.00 0.00 H new ATOM 273 N GLY A 20 9.260 11.843 -8.593 1.00 0.00 N ATOM 274 CA GLY A 20 8.025 12.218 -9.333 1.00 0.00 C ATOM 275 C GLY A 20 6.826 12.035 -8.409 1.00 0.00 C ATOM 276 O GLY A 20 5.904 12.828 -8.399 1.00 0.00 O ATOM 0 H GLY A 20 9.104 11.272 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.087 13.252 -9.671 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.915 11.598 -10.222 1.00 0.00 H new ATOM 280 N LYS A 21 6.834 10.988 -7.630 1.00 0.00 N ATOM 281 CA LYS A 21 5.704 10.737 -6.704 1.00 0.00 C ATOM 282 C LYS A 21 5.850 11.604 -5.469 1.00 0.00 C ATOM 283 O LYS A 21 6.682 12.486 -5.402 1.00 0.00 O ATOM 284 CB LYS A 21 5.699 9.269 -6.278 1.00 0.00 C ATOM 285 CG LYS A 21 4.274 8.711 -6.311 1.00 0.00 C ATOM 286 CD LYS A 21 3.636 8.990 -7.672 1.00 0.00 C ATOM 287 CE LYS A 21 3.593 7.700 -8.492 1.00 0.00 C ATOM 288 NZ LYS A 21 2.534 7.809 -9.533 1.00 0.00 N ATOM 0 H LYS A 21 7.581 10.294 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 21 4.771 10.976 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.340 8.688 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.111 9.173 -5.273 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.290 7.638 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.678 9.166 -5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.628 9.382 -7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.207 9.752 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.561 7.522 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.392 6.849 -7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.504 6.932 -10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.612 7.960 -9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.745 8.611 -10.160 1.00 0.00 H new ATOM 302 N ASN A 22 5.034 11.359 -4.491 1.00 0.00 N ATOM 303 CA ASN A 22 5.106 12.182 -3.249 1.00 0.00 C ATOM 304 C ASN A 22 4.481 11.452 -2.056 1.00 0.00 C ATOM 305 O ASN A 22 4.285 12.041 -1.012 1.00 0.00 O ATOM 306 CB ASN A 22 4.332 13.482 -3.473 1.00 0.00 C ATOM 307 CG ASN A 22 5.265 14.542 -4.062 1.00 0.00 C ATOM 308 OD1 ASN A 22 5.468 14.567 -5.352 1.00 0.00 O flip ATOM 309 ND2 ASN A 22 5.813 15.355 -3.343 1.00 0.00 N flip ATOM 0 H ASN A 22 4.321 10.629 -4.492 1.00 0.00 H new ATOM 0 HA ASN A 22 6.156 12.377 -3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.494 13.306 -4.147 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.914 13.835 -2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.654 15.334 -2.336 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.432 16.058 -3.747 1.00 0.00 H new ATOM 316 N ILE A 23 4.131 10.202 -2.182 1.00 0.00 N ATOM 317 CA ILE A 23 3.493 9.526 -1.020 1.00 0.00 C ATOM 318 C ILE A 23 3.563 8.004 -1.162 1.00 0.00 C ATOM 319 O ILE A 23 4.003 7.464 -2.156 1.00 0.00 O ATOM 320 CB ILE A 23 2.010 9.979 -0.982 1.00 0.00 C ATOM 321 CG1 ILE A 23 1.775 10.906 0.208 1.00 0.00 C ATOM 322 CG2 ILE A 23 1.039 8.786 -0.867 1.00 0.00 C ATOM 323 CD1 ILE A 23 0.270 11.134 0.352 1.00 0.00 C ATOM 0 H ILE A 23 4.255 9.631 -3.018 1.00 0.00 H new ATOM 0 HA ILE A 23 4.014 9.795 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 23 1.815 10.498 -1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.181 10.465 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.290 11.855 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.013 9.153 -0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.169 8.127 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.248 8.234 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.081 11.795 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.118 11.591 -0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.228 10.179 0.519 1.00 0.00 H new ATOM 335 N CYS A 24 3.032 7.334 -0.182 1.00 0.00 N ATOM 336 CA CYS A 24 2.924 5.863 -0.223 1.00 0.00 C ATOM 337 C CYS A 24 1.440 5.551 -0.241 1.00 0.00 C ATOM 338 O CYS A 24 0.664 6.265 0.355 1.00 0.00 O ATOM 339 CB CYS A 24 3.500 5.250 1.037 1.00 0.00 C ATOM 340 SG CYS A 24 4.648 3.940 0.566 1.00 0.00 S ATOM 0 H CYS A 24 2.660 7.762 0.666 1.00 0.00 H new ATOM 0 HA CYS A 24 3.459 5.469 -1.087 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.014 6.009 1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.702 4.848 1.661 1.00 0.00 H new ATOM 345 N VAL A 25 1.029 4.500 -0.884 1.00 0.00 N ATOM 346 CA VAL A 25 -0.420 4.166 -0.880 1.00 0.00 C ATOM 347 C VAL A 25 -0.593 2.678 -1.190 1.00 0.00 C ATOM 348 O VAL A 25 -0.675 2.254 -2.327 1.00 0.00 O ATOM 349 CB VAL A 25 -1.201 5.044 -1.878 1.00 0.00 C ATOM 350 CG1 VAL A 25 -0.688 6.482 -1.829 1.00 0.00 C ATOM 351 CG2 VAL A 25 -1.052 4.518 -3.300 1.00 0.00 C ATOM 0 H VAL A 25 1.626 3.861 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.831 4.373 0.108 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.253 5.014 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.247 7.092 -2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.820 6.881 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.370 6.500 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.612 5.155 -3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.001 4.522 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.438 3.500 -3.354 1.00 0.00 H new ATOM 361 N LYS A 26 -0.658 1.878 -0.167 1.00 0.00 N ATOM 362 CA LYS A 26 -0.845 0.416 -0.372 1.00 0.00 C ATOM 363 C LYS A 26 -2.334 0.130 -0.219 1.00 0.00 C ATOM 364 O LYS A 26 -3.053 0.913 0.354 1.00 0.00 O ATOM 365 CB LYS A 26 -0.044 -0.391 0.665 1.00 0.00 C ATOM 366 CG LYS A 26 0.362 0.500 1.840 1.00 0.00 C ATOM 367 CD LYS A 26 1.284 -0.278 2.778 1.00 0.00 C ATOM 368 CE LYS A 26 0.445 -1.124 3.738 1.00 0.00 C ATOM 369 NZ LYS A 26 0.128 -2.431 3.099 1.00 0.00 N ATOM 0 H LYS A 26 -0.590 2.173 0.807 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.487 0.123 -1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.643 -1.227 1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.845 -0.814 0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.868 1.393 1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.524 0.834 2.379 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.950 -0.919 2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.913 0.412 3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.989 -1.284 4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.475 -0.599 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.898 -2.503 2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.620 -2.499 2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.440 -3.205 3.719 1.00 0.00 H new ATOM 383 N ARG A 27 -2.810 -0.963 -0.731 1.00 0.00 N ATOM 384 CA ARG A 27 -4.263 -1.257 -0.610 1.00 0.00 C ATOM 385 C ARG A 27 -4.496 -2.751 -0.704 1.00 0.00 C ATOM 386 O ARG A 27 -3.877 -3.450 -1.494 1.00 0.00 O ATOM 387 CB ARG A 27 -5.032 -0.547 -1.731 1.00 0.00 C ATOM 388 CG ARG A 27 -4.512 0.883 -1.891 1.00 0.00 C ATOM 389 CD ARG A 27 -5.319 1.603 -2.975 1.00 0.00 C ATOM 390 NE ARG A 27 -5.260 0.818 -4.241 1.00 0.00 N ATOM 391 CZ ARG A 27 -4.441 1.176 -5.191 1.00 0.00 C ATOM 392 NH1 ARG A 27 -3.256 1.635 -4.894 1.00 0.00 N ATOM 393 NH2 ARG A 27 -4.809 1.080 -6.440 1.00 0.00 N ATOM 0 H ARG A 27 -2.261 -1.665 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.618 -0.897 0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.915 -1.093 -2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.097 -0.533 -1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.594 1.419 -0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.455 0.869 -2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.354 1.720 -2.655 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.920 2.604 -3.136 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.859 0.002 -4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.970 1.714 -3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.616 1.915 -5.638 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.737 0.725 -6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.169 1.360 -7.183 1.00 0.00 H new ATOM 407 N SER A 28 -5.405 -3.228 0.097 1.00 0.00 N ATOM 408 CA SER A 28 -5.740 -4.667 0.101 1.00 0.00 C ATOM 409 C SER A 28 -7.241 -4.785 -0.063 1.00 0.00 C ATOM 410 O SER A 28 -7.996 -4.594 0.869 1.00 0.00 O ATOM 411 CB SER A 28 -5.309 -5.291 1.429 1.00 0.00 C ATOM 412 OG SER A 28 -6.170 -4.835 2.463 1.00 0.00 O ATOM 0 H SER A 28 -5.937 -2.665 0.760 1.00 0.00 H new ATOM 0 HA SER A 28 -5.225 -5.187 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.346 -6.378 1.362 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.277 -5.020 1.653 1.00 0.00 H new ATOM 0 HG SER A 28 -6.832 -4.217 2.089 1.00 0.00 H new ATOM 418 N TRP A 29 -7.692 -5.070 -1.246 1.00 0.00 N ATOM 419 CA TRP A 29 -9.152 -5.161 -1.445 1.00 0.00 C ATOM 420 C TRP A 29 -9.579 -6.595 -1.681 1.00 0.00 C ATOM 421 O TRP A 29 -8.828 -7.418 -2.165 1.00 0.00 O ATOM 422 CB TRP A 29 -9.584 -4.314 -2.629 1.00 0.00 C ATOM 423 CG TRP A 29 -8.756 -4.602 -3.839 1.00 0.00 C ATOM 424 CD1 TRP A 29 -9.188 -5.282 -4.927 1.00 0.00 C ATOM 425 CD2 TRP A 29 -7.381 -4.216 -4.119 1.00 0.00 C ATOM 426 NE1 TRP A 29 -8.174 -5.326 -5.861 1.00 0.00 N ATOM 427 CE2 TRP A 29 -7.040 -4.683 -5.411 1.00 0.00 C ATOM 428 CE3 TRP A 29 -6.407 -3.511 -3.390 1.00 0.00 C ATOM 429 CZ2 TRP A 29 -5.783 -4.455 -5.962 1.00 0.00 C ATOM 430 CZ3 TRP A 29 -5.138 -3.282 -3.940 1.00 0.00 C ATOM 431 CH2 TRP A 29 -4.827 -3.749 -5.227 1.00 0.00 C ATOM 0 H TRP A 29 -7.119 -5.241 -2.072 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.630 -4.790 -0.538 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -10.634 -4.506 -2.851 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.500 -3.258 -2.372 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.168 -5.719 -5.045 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.253 -5.778 -6.772 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -6.638 -3.144 -2.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.548 -4.821 -6.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.395 -2.743 -3.370 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -3.850 -3.563 -5.648 1.00 0.00 H new ATOM 442 N THR A 30 -10.798 -6.887 -1.355 1.00 0.00 N ATOM 443 CA THR A 30 -11.313 -8.252 -1.569 1.00 0.00 C ATOM 444 C THR A 30 -11.858 -8.336 -2.985 1.00 0.00 C ATOM 445 O THR A 30 -12.622 -7.495 -3.415 1.00 0.00 O ATOM 446 CB THR A 30 -12.423 -8.552 -0.566 1.00 0.00 C ATOM 447 OG1 THR A 30 -12.810 -7.350 0.085 1.00 0.00 O ATOM 448 CG2 THR A 30 -11.900 -9.550 0.461 1.00 0.00 C ATOM 0 H THR A 30 -11.464 -6.231 -0.946 1.00 0.00 H new ATOM 0 HA THR A 30 -10.515 -8.981 -1.429 1.00 0.00 H new ATOM 0 HB THR A 30 -13.287 -8.972 -1.080 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.524 -7.542 0.728 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.685 -9.773 1.184 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.600 -10.468 -0.044 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.041 -9.123 0.978 1.00 0.00 H new ATOM 568 N ARG A 39 -7.001 -10.819 -0.606 1.00 0.00 N ATOM 569 CA ARG A 39 -6.981 -9.334 -0.553 1.00 0.00 C ATOM 570 C ARG A 39 -5.731 -8.827 -1.274 1.00 0.00 C ATOM 571 O ARG A 39 -4.620 -9.021 -0.824 1.00 0.00 O ATOM 572 CB ARG A 39 -6.959 -8.874 0.907 1.00 0.00 C ATOM 573 CG ARG A 39 -8.344 -8.353 1.296 1.00 0.00 C ATOM 574 CD ARG A 39 -8.656 -8.760 2.738 1.00 0.00 C ATOM 575 NE ARG A 39 -9.522 -9.973 2.735 1.00 0.00 N ATOM 576 CZ ARG A 39 -9.962 -10.462 3.861 1.00 0.00 C ATOM 577 NH1 ARG A 39 -9.193 -10.466 4.916 1.00 0.00 N ATOM 578 NH2 ARG A 39 -11.171 -10.946 3.934 1.00 0.00 N ATOM 0 HA ARG A 39 -7.871 -8.934 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.674 -9.702 1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.213 -8.091 1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.377 -7.268 1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.099 -8.757 0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.731 -8.962 3.279 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.157 -7.943 3.257 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.770 -10.420 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.248 -10.087 4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.537 -10.849 5.797 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.773 -10.942 3.110 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.515 -11.328 4.815 1.00 0.00 H new ATOM 592 N GLU A 40 -5.906 -8.179 -2.390 1.00 0.00 N ATOM 593 CA GLU A 40 -4.727 -7.662 -3.141 1.00 0.00 C ATOM 594 C GLU A 40 -4.133 -6.480 -2.375 1.00 0.00 C ATOM 595 O GLU A 40 -4.556 -5.358 -2.547 1.00 0.00 O ATOM 596 CB GLU A 40 -5.164 -7.189 -4.531 1.00 0.00 C ATOM 597 CG GLU A 40 -6.142 -8.192 -5.152 1.00 0.00 C ATOM 598 CD GLU A 40 -5.444 -9.541 -5.334 1.00 0.00 C ATOM 599 OE1 GLU A 40 -4.892 -10.037 -4.366 1.00 0.00 O ATOM 600 OE2 GLU A 40 -5.472 -10.054 -6.442 1.00 0.00 O ATOM 0 H GLU A 40 -6.812 -7.984 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.986 -8.454 -3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.636 -6.209 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.292 -7.075 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.017 -8.307 -4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.497 -7.822 -6.114 1.00 0.00 H new ATOM 607 N ILE A 41 -3.157 -6.731 -1.532 1.00 0.00 N ATOM 608 CA ILE A 41 -2.524 -5.627 -0.727 1.00 0.00 C ATOM 609 C ILE A 41 -1.506 -4.838 -1.572 1.00 0.00 C ATOM 610 O ILE A 41 -0.524 -4.336 -1.069 1.00 0.00 O ATOM 611 CB ILE A 41 -1.806 -6.240 0.485 1.00 0.00 C ATOM 612 CG1 ILE A 41 -0.778 -7.287 0.024 1.00 0.00 C ATOM 613 CG2 ILE A 41 -2.833 -6.915 1.395 1.00 0.00 C ATOM 614 CD1 ILE A 41 0.429 -6.589 -0.595 1.00 0.00 C ATOM 0 H ILE A 41 -2.767 -7.659 -1.364 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.307 -4.942 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.290 -5.447 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.462 -7.897 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.232 -7.961 -0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.326 -7.351 2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.558 -6.176 1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.349 -7.700 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.154 -7.335 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.107 -5.998 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.889 -5.934 0.145 1.00 0.00 H new ATOM 626 N ARG A 42 -1.741 -4.736 -2.843 1.00 0.00 N ATOM 627 CA ARG A 42 -0.800 -4.011 -3.763 1.00 0.00 C ATOM 628 C ARG A 42 -0.154 -2.813 -3.067 1.00 0.00 C ATOM 629 O ARG A 42 -0.673 -2.280 -2.117 1.00 0.00 O ATOM 630 CB ARG A 42 -1.568 -3.528 -4.993 1.00 0.00 C ATOM 631 CG ARG A 42 -0.580 -3.114 -6.085 1.00 0.00 C ATOM 632 CD ARG A 42 -1.087 -3.603 -7.443 1.00 0.00 C ATOM 633 NE ARG A 42 -0.387 -4.869 -7.807 1.00 0.00 N ATOM 634 CZ ARG A 42 -1.078 -5.936 -8.109 1.00 0.00 C ATOM 635 NH1 ARG A 42 -2.058 -5.859 -8.966 1.00 0.00 N ATOM 636 NH2 ARG A 42 -0.783 -7.081 -7.558 1.00 0.00 N ATOM 0 H ARG A 42 -2.561 -5.130 -3.304 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.010 -4.702 -4.057 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.221 -4.320 -5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.207 -2.685 -4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.467 -2.030 -6.096 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.404 -3.535 -5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.164 -3.768 -7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.909 -2.844 -8.205 1.00 0.00 H new ATOM 0 HE ARG A 42 0.632 -4.902 -7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.286 -4.965 -9.401 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.597 -6.693 -9.201 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.013 -7.143 -6.892 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.322 -7.914 -7.793 1.00 0.00 H new ATOM 650 N ARG A 43 0.985 -2.381 -3.533 1.00 0.00 N ATOM 651 CA ARG A 43 1.652 -1.214 -2.890 1.00 0.00 C ATOM 652 C ARG A 43 2.271 -0.323 -3.964 1.00 0.00 C ATOM 653 O ARG A 43 2.926 -0.794 -4.873 1.00 0.00 O ATOM 654 CB ARG A 43 2.751 -1.698 -1.944 1.00 0.00 C ATOM 655 CG ARG A 43 2.197 -2.791 -1.033 1.00 0.00 C ATOM 656 CD ARG A 43 2.812 -4.136 -1.421 1.00 0.00 C ATOM 657 NE ARG A 43 1.987 -4.784 -2.478 1.00 0.00 N ATOM 658 CZ ARG A 43 2.568 -5.423 -3.458 1.00 0.00 C ATOM 659 NH1 ARG A 43 3.633 -4.922 -4.023 1.00 0.00 N ATOM 660 NH2 ARG A 43 2.085 -6.563 -3.871 1.00 0.00 N ATOM 0 H ARG A 43 1.481 -2.784 -4.328 1.00 0.00 H new ATOM 0 HA ARG A 43 0.911 -0.649 -2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.595 -2.081 -2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.123 -0.866 -1.346 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.424 -2.562 0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.111 -2.836 -1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.830 -3.990 -1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.873 -4.784 -0.547 1.00 0.00 H new ATOM 0 HE ARG A 43 0.969 -4.729 -2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.011 -4.032 -3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.087 -5.421 -4.788 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.254 -6.955 -3.429 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.539 -7.062 -4.636 1.00 0.00 H new ATOM 674 N GLU A 44 2.070 0.960 -3.866 1.00 0.00 N ATOM 675 CA GLU A 44 2.650 1.879 -4.884 1.00 0.00 C ATOM 676 C GLU A 44 2.734 3.295 -4.315 1.00 0.00 C ATOM 677 O GLU A 44 2.003 3.661 -3.417 1.00 0.00 O ATOM 678 CB GLU A 44 1.759 1.888 -6.128 1.00 0.00 C ATOM 679 CG GLU A 44 1.713 0.486 -6.736 1.00 0.00 C ATOM 680 CD GLU A 44 1.106 0.557 -8.139 1.00 0.00 C ATOM 681 OE1 GLU A 44 1.547 1.393 -8.912 1.00 0.00 O ATOM 682 OE2 GLU A 44 0.213 -0.225 -8.417 1.00 0.00 O ATOM 0 H GLU A 44 1.531 1.412 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 44 3.650 1.535 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.753 2.214 -5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.144 2.600 -6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.718 0.066 -6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.120 -0.176 -6.105 1.00 0.00 H new ATOM 689 N CYS A 45 3.614 4.102 -4.845 1.00 0.00 N ATOM 690 CA CYS A 45 3.734 5.500 -4.351 1.00 0.00 C ATOM 691 C CYS A 45 2.699 6.356 -5.075 1.00 0.00 C ATOM 692 O CYS A 45 2.337 6.084 -6.202 1.00 0.00 O ATOM 693 CB CYS A 45 5.139 6.048 -4.646 1.00 0.00 C ATOM 694 SG CYS A 45 6.396 5.031 -3.825 1.00 0.00 S ATOM 0 H CYS A 45 4.254 3.851 -5.599 1.00 0.00 H new ATOM 0 HA CYS A 45 3.567 5.524 -3.274 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.315 6.057 -5.722 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.214 7.079 -4.302 1.00 0.00 H new ATOM 699 N ALA A 46 2.217 7.385 -4.443 1.00 0.00 N ATOM 700 CA ALA A 46 1.209 8.251 -5.100 1.00 0.00 C ATOM 701 C ALA A 46 1.266 9.644 -4.484 1.00 0.00 C ATOM 702 O ALA A 46 2.239 10.029 -3.868 1.00 0.00 O ATOM 703 CB ALA A 46 -0.188 7.664 -4.873 1.00 0.00 C ATOM 0 H ALA A 46 2.479 7.663 -3.497 1.00 0.00 H new ATOM 0 HA ALA A 46 1.418 8.308 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.932 8.298 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.235 6.662 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.392 7.614 -3.803 1.00 0.00 H new ATOM 709 N ALA A 47 0.215 10.386 -4.637 1.00 0.00 N ATOM 710 CA ALA A 47 0.153 11.750 -4.055 1.00 0.00 C ATOM 711 C ALA A 47 -1.237 11.908 -3.460 1.00 0.00 C ATOM 712 O ALA A 47 -1.794 12.986 -3.396 1.00 0.00 O ATOM 713 CB ALA A 47 0.365 12.786 -5.154 1.00 0.00 C ATOM 0 H ALA A 47 -0.620 10.102 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 47 0.924 11.893 -3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.319 13.787 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.341 12.633 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.413 12.679 -5.910 1.00 0.00 H new ATOM 719 N THR A 48 -1.810 10.811 -3.061 1.00 0.00 N ATOM 720 CA THR A 48 -3.184 10.834 -2.504 1.00 0.00 C ATOM 721 C THR A 48 -3.224 10.264 -1.094 1.00 0.00 C ATOM 722 O THR A 48 -2.234 10.165 -0.396 1.00 0.00 O ATOM 723 CB THR A 48 -4.078 9.944 -3.361 1.00 0.00 C ATOM 724 OG1 THR A 48 -3.388 9.582 -4.549 1.00 0.00 O ATOM 725 CG2 THR A 48 -5.364 10.689 -3.718 1.00 0.00 C ATOM 0 H THR A 48 -1.378 9.888 -3.098 1.00 0.00 H new ATOM 0 HA THR A 48 -3.519 11.871 -2.492 1.00 0.00 H new ATOM 0 HB THR A 48 -4.332 9.044 -2.801 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.962 9.009 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.998 10.048 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.894 10.958 -2.804 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.118 11.593 -4.274 1.00 0.00 H new ATOM 830 N LEU A 56 -11.197 -2.416 0.488 1.00 0.00 N ATOM 831 CA LEU A 56 -10.068 -1.757 -0.203 1.00 0.00 C ATOM 832 C LEU A 56 -9.426 -0.861 0.853 1.00 0.00 C ATOM 833 O LEU A 56 -9.850 0.256 1.077 1.00 0.00 O ATOM 834 CB LEU A 56 -10.546 -0.913 -1.375 1.00 0.00 C ATOM 835 CG LEU A 56 -9.328 -0.237 -1.995 1.00 0.00 C ATOM 836 CD1 LEU A 56 -8.400 -1.296 -2.593 1.00 0.00 C ATOM 837 CD2 LEU A 56 -9.774 0.737 -3.088 1.00 0.00 C ATOM 0 HA LEU A 56 -9.375 -2.491 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.053 -1.536 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.266 -0.167 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.793 0.315 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.530 -0.810 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.074 -1.979 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.933 -1.855 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.899 1.217 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.316 0.193 -3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.425 1.496 -2.655 1.00 0.00 H new ATOM 849 N THR A 57 -8.452 -1.366 1.553 1.00 0.00 N ATOM 850 CA THR A 57 -7.834 -0.572 2.654 1.00 0.00 C ATOM 851 C THR A 57 -6.575 0.146 2.178 1.00 0.00 C ATOM 852 O THR A 57 -5.526 -0.449 2.060 1.00 0.00 O ATOM 853 CB THR A 57 -7.488 -1.521 3.814 1.00 0.00 C ATOM 854 OG1 THR A 57 -8.633 -1.685 4.636 1.00 0.00 O ATOM 855 CG2 THR A 57 -6.343 -0.951 4.657 1.00 0.00 C ATOM 0 H THR A 57 -8.055 -2.295 1.412 1.00 0.00 H new ATOM 0 HA THR A 57 -8.544 0.186 2.985 1.00 0.00 H new ATOM 0 HB THR A 57 -7.176 -2.480 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.420 -2.290 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.114 -1.638 5.472 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.460 -0.823 4.032 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.639 0.014 5.068 1.00 0.00 H new ATOM 863 N VAL A 58 -6.669 1.423 1.936 1.00 0.00 N ATOM 864 CA VAL A 58 -5.475 2.182 1.500 1.00 0.00 C ATOM 865 C VAL A 58 -4.682 2.629 2.715 1.00 0.00 C ATOM 866 O VAL A 58 -5.223 2.895 3.769 1.00 0.00 O ATOM 867 CB VAL A 58 -5.871 3.447 0.742 1.00 0.00 C ATOM 868 CG1 VAL A 58 -4.736 3.860 -0.199 1.00 0.00 C ATOM 869 CG2 VAL A 58 -7.150 3.203 -0.064 1.00 0.00 C ATOM 0 H VAL A 58 -7.525 1.971 2.023 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.890 1.525 0.856 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.055 4.246 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.021 4.763 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.834 4.054 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.543 3.057 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.422 4.113 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.982 2.397 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.959 2.925 0.612 1.00 0.00 H new ATOM 879 N PHE A 59 -3.409 2.768 2.559 1.00 0.00 N ATOM 880 CA PHE A 59 -2.580 3.260 3.674 1.00 0.00 C ATOM 881 C PHE A 59 -1.484 4.123 3.064 1.00 0.00 C ATOM 882 O PHE A 59 -0.646 3.646 2.326 1.00 0.00 O ATOM 883 CB PHE A 59 -1.971 2.100 4.456 1.00 0.00 C ATOM 884 CG PHE A 59 -0.857 2.638 5.314 1.00 0.00 C ATOM 885 CD1 PHE A 59 -0.930 3.947 5.808 1.00 0.00 C ATOM 886 CD2 PHE A 59 0.250 1.841 5.593 1.00 0.00 C ATOM 887 CE1 PHE A 59 0.113 4.456 6.590 1.00 0.00 C ATOM 888 CE2 PHE A 59 1.297 2.349 6.372 1.00 0.00 C ATOM 889 CZ PHE A 59 1.228 3.658 6.871 1.00 0.00 C ATOM 0 H PHE A 59 -2.901 2.560 1.699 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.186 3.834 4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.729 1.621 5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.591 1.340 3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.789 4.562 5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.301 0.833 5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.058 5.463 6.976 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.157 1.733 6.588 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.035 4.050 7.472 1.00 0.00 H new ATOM 899 N CYS A 60 -1.502 5.395 3.329 1.00 0.00 N ATOM 900 CA CYS A 60 -0.477 6.272 2.717 1.00 0.00 C ATOM 901 C CYS A 60 0.312 7.020 3.782 1.00 0.00 C ATOM 902 O CYS A 60 0.020 6.963 4.960 1.00 0.00 O ATOM 903 CB CYS A 60 -1.177 7.289 1.820 1.00 0.00 C ATOM 904 SG CYS A 60 -2.627 7.930 2.688 1.00 0.00 S ATOM 0 H CYS A 60 -2.176 5.861 3.937 1.00 0.00 H new ATOM 0 HA CYS A 60 0.214 5.654 2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.497 8.103 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.475 6.822 0.881 1.00 0.00 H new ATOM 0 HG CYS A 60 -3.233 8.800 1.936 1.00 0.00 H new ATOM 909 N CYS A 61 1.305 7.741 3.350 1.00 0.00 N ATOM 910 CA CYS A 61 2.133 8.533 4.302 1.00 0.00 C ATOM 911 C CYS A 61 2.886 9.607 3.514 1.00 0.00 C ATOM 912 O CYS A 61 3.369 9.365 2.426 1.00 0.00 O ATOM 913 CB CYS A 61 3.125 7.619 5.033 1.00 0.00 C ATOM 914 SG CYS A 61 3.311 8.190 6.745 1.00 0.00 S ATOM 0 H CYS A 61 1.582 7.817 2.371 1.00 0.00 H new ATOM 0 HA CYS A 61 1.491 9.002 5.048 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.769 6.589 5.017 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.090 7.630 4.526 1.00 0.00 H new ATOM 919 N THR A 62 2.973 10.793 4.048 1.00 0.00 N ATOM 920 CA THR A 62 3.675 11.890 3.322 1.00 0.00 C ATOM 921 C THR A 62 5.029 12.158 3.975 1.00 0.00 C ATOM 922 O THR A 62 5.231 13.165 4.625 1.00 0.00 O ATOM 923 CB THR A 62 2.824 13.160 3.373 1.00 0.00 C ATOM 924 OG1 THR A 62 2.407 13.395 4.712 1.00 0.00 O ATOM 925 CG2 THR A 62 1.598 12.991 2.475 1.00 0.00 C ATOM 0 H THR A 62 2.588 11.051 4.957 1.00 0.00 H new ATOM 0 HA THR A 62 3.829 11.594 2.284 1.00 0.00 H new ATOM 0 HB THR A 62 3.413 14.008 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.194 13.517 5.283 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.992 13.896 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.920 12.812 1.449 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.006 12.144 2.823 1.00 0.00 H new ATOM 933 N THR A 63 5.957 11.264 3.805 1.00 0.00 N ATOM 934 CA THR A 63 7.303 11.457 4.408 1.00 0.00 C ATOM 935 C THR A 63 8.219 10.324 3.949 1.00 0.00 C ATOM 936 O THR A 63 7.796 9.421 3.253 1.00 0.00 O ATOM 937 CB THR A 63 7.184 11.436 5.935 1.00 0.00 C ATOM 938 OG1 THR A 63 8.482 11.387 6.509 1.00 0.00 O ATOM 939 CG2 THR A 63 6.384 10.207 6.371 1.00 0.00 C ATOM 0 H THR A 63 5.842 10.402 3.271 1.00 0.00 H new ATOM 0 HA THR A 63 7.717 12.415 4.093 1.00 0.00 H new ATOM 0 HB THR A 63 6.671 12.337 6.271 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.407 11.375 7.486 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.301 10.194 7.458 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.388 10.247 5.931 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.893 9.304 6.035 1.00 0.00 H new ATOM 947 N ASP A 64 9.464 10.357 4.329 1.00 0.00 N ATOM 948 CA ASP A 64 10.389 9.269 3.909 1.00 0.00 C ATOM 949 C ASP A 64 9.717 7.923 4.178 1.00 0.00 C ATOM 950 O ASP A 64 8.647 7.871 4.750 1.00 0.00 O ATOM 951 CB ASP A 64 11.689 9.363 4.709 1.00 0.00 C ATOM 952 CG ASP A 64 11.366 9.561 6.191 1.00 0.00 C ATOM 953 OD1 ASP A 64 10.995 10.666 6.554 1.00 0.00 O ATOM 954 OD2 ASP A 64 11.495 8.606 6.938 1.00 0.00 O ATOM 0 H ASP A 64 9.880 11.086 4.909 1.00 0.00 H new ATOM 0 HA ASP A 64 10.617 9.365 2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.278 8.456 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.293 10.193 4.344 1.00 0.00 H new ATOM 959 N ASN A 65 10.334 6.842 3.758 1.00 0.00 N ATOM 960 CA ASN A 65 9.745 5.479 3.971 1.00 0.00 C ATOM 961 C ASN A 65 8.840 5.470 5.209 1.00 0.00 C ATOM 962 O ASN A 65 9.303 5.407 6.330 1.00 0.00 O ATOM 963 CB ASN A 65 10.873 4.461 4.164 1.00 0.00 C ATOM 964 CG ASN A 65 12.106 5.157 4.746 1.00 0.00 C ATOM 965 OD1 ASN A 65 13.225 5.145 4.076 1.00 0.00 O flip ATOM 966 ND2 ASN A 65 12.048 5.721 5.821 1.00 0.00 N flip ATOM 0 H ASN A 65 11.230 6.846 3.271 1.00 0.00 H new ATOM 0 HA ASN A 65 9.150 5.216 3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.545 3.664 4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.123 3.996 3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.173 5.731 6.345 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.874 6.185 6.199 1.00 0.00 H new ATOM 973 N CYS A 66 7.551 5.547 5.009 1.00 0.00 N ATOM 974 CA CYS A 66 6.609 5.559 6.165 1.00 0.00 C ATOM 975 C CYS A 66 5.447 4.594 5.898 1.00 0.00 C ATOM 976 O CYS A 66 4.312 4.999 5.758 1.00 0.00 O ATOM 977 CB CYS A 66 6.066 6.981 6.348 1.00 0.00 C ATOM 978 SG CYS A 66 4.714 6.976 7.553 1.00 0.00 S ATOM 0 H CYS A 66 7.109 5.602 4.091 1.00 0.00 H new ATOM 0 HA CYS A 66 7.131 5.243 7.068 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.863 7.643 6.686 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.712 7.370 5.393 1.00 0.00 H new ATOM 983 N ASN A 67 5.717 3.320 5.830 1.00 0.00 N ATOM 984 CA ASN A 67 4.619 2.342 5.578 1.00 0.00 C ATOM 985 C ASN A 67 5.080 0.942 5.986 1.00 0.00 C ATOM 986 O ASN A 67 4.740 -0.041 5.358 1.00 0.00 O ATOM 987 CB ASN A 67 4.256 2.352 4.089 1.00 0.00 C ATOM 988 CG ASN A 67 3.017 3.222 3.874 1.00 0.00 C ATOM 989 OD1 ASN A 67 1.908 2.726 3.856 1.00 0.00 O ATOM 990 ND2 ASN A 67 3.157 4.506 3.700 1.00 0.00 N ATOM 0 H ASN A 67 6.646 2.914 5.937 1.00 0.00 H new ATOM 0 HA ASN A 67 3.743 2.619 6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.090 2.737 3.503 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.065 1.336 3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.336 5.093 3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.087 4.924 3.715 1.00 0.00 H new ATOM 997 N HIS A 68 5.852 0.844 7.034 1.00 0.00 N ATOM 998 CA HIS A 68 6.333 -0.491 7.481 1.00 0.00 C ATOM 999 C HIS A 68 5.143 -1.334 7.940 1.00 0.00 C ATOM 1000 O HIS A 68 5.308 -2.536 8.068 1.00 0.00 O ATOM 1001 CB HIS A 68 7.314 -0.317 8.643 1.00 0.00 C ATOM 1002 CG HIS A 68 6.662 0.482 9.737 1.00 0.00 C ATOM 1003 ND1 HIS A 68 5.949 -0.116 10.765 1.00 0.00 N ATOM 1004 CD2 HIS A 68 6.606 1.832 9.977 1.00 0.00 C ATOM 1005 CE1 HIS A 68 5.499 0.864 11.569 1.00 0.00 C ATOM 1006 NE2 HIS A 68 5.871 2.072 11.135 1.00 0.00 N ATOM 1007 OXT HIS A 68 4.086 -0.765 8.157 1.00 0.00 O ATOM 0 H HIS A 68 6.170 1.632 7.599 1.00 0.00 H new ATOM 0 HA HIS A 68 6.835 -0.992 6.654 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.620 -1.292 9.023 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.216 0.188 8.298 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.063 2.593 9.361 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.909 0.695 12.457 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.662 2.975 11.560 1.00 0.00 H new