USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 420 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 8 TYR OH : rot 15:sc= -0.505 USER MOD Set 1.2: A 11 TYR OH : rot 51:sc= -0.979 USER MOD Single : A 1 GLN :FLIP amide:sc= 1.05 F(o=-0.32,f=1) USER MOD Single : A 1 GLN N :NH3+ 167:sc= -0.0345 (180deg=-0.253) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 0.00638 (180deg=0.00487) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0.584 K(o=0.58,f=-0.47) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 20 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.25) USER MOD Single : A 21 GLN : amide:sc= -1.15 K(o=-1.2,f=-2.8!) USER MOD Single : A 23 ASN : amide:sc= 0.366 K(o=0.37,f=-5!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.375 X(o=-0.37,f=-0.36) USER MOD Single : A 46 GLN : amide:sc= -1.82 K(o=-1.8,f=-5.9!) USER MOD Single : A 51 TYR OH : rot 22:sc= -0.541 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 11.231 0.478 -6.373 1.00 0.00 N ATOM 2 CA GLN A 1 9.944 -0.089 -6.759 1.00 0.00 C ATOM 3 C GLN A 1 9.076 -0.353 -5.534 1.00 0.00 C ATOM 4 O GLN A 1 8.225 -1.242 -5.544 1.00 0.00 O ATOM 5 CB GLN A 1 10.149 -1.386 -7.543 1.00 0.00 C ATOM 6 CG GLN A 1 9.038 -1.678 -8.538 1.00 0.00 C ATOM 7 CD GLN A 1 8.345 -3.000 -8.269 1.00 0.00 C ATOM 8 OE1 GLN A 1 8.078 -3.755 -9.328 1.00 0.00 O flip ATOM 9 NE2 GLN A 1 8.054 -3.338 -7.122 1.00 0.00 N flip ATOM 0 H1 GLN A 1 11.882 0.445 -7.183 1.00 0.00 H new ATOM 0 H2 GLN A 1 11.100 1.465 -6.074 1.00 0.00 H new ATOM 0 H3 GLN A 1 11.630 -0.072 -5.586 1.00 0.00 H new ATOM 0 HA GLN A 1 9.433 0.634 -7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 1 11.098 -1.332 -8.076 1.00 0.00 H new ATOM 0 HB3 GLN A 1 10.224 -2.217 -6.841 1.00 0.00 H new ATOM 0 HG2 GLN A 1 8.303 -0.873 -8.503 1.00 0.00 H new ATOM 0 HG3 GLN A 1 9.452 -1.688 -9.546 1.00 0.00 H new ATOM 0 HE21 GLN A 1 8.278 -2.726 -6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 1 7.589 -4.230 -6.956 1.00 0.00 H new ATOM 18 N ASP A 2 9.297 0.425 -4.480 1.00 0.00 N ATOM 19 CA ASP A 2 8.534 0.275 -3.246 1.00 0.00 C ATOM 20 C ASP A 2 7.231 1.067 -3.313 1.00 0.00 C ATOM 21 O ASP A 2 6.153 0.532 -3.052 1.00 0.00 O ATOM 22 CB ASP A 2 9.365 0.738 -2.048 1.00 0.00 C ATOM 23 CG ASP A 2 9.101 -0.089 -0.806 1.00 0.00 C ATOM 24 OD1 ASP A 2 8.030 0.091 -0.189 1.00 0.00 O ATOM 25 OD2 ASP A 2 9.966 -0.917 -0.449 1.00 0.00 O ATOM 0 H ASP A 2 9.998 1.166 -4.455 1.00 0.00 H new ATOM 0 HA ASP A 2 8.291 -0.781 -3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.424 0.681 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.143 1.784 -1.838 1.00 0.00 H new ATOM 30 N LYS A 3 7.338 2.344 -3.664 1.00 0.00 N ATOM 31 CA LYS A 3 6.170 3.210 -3.766 1.00 0.00 C ATOM 32 C LYS A 3 6.568 4.609 -4.224 1.00 0.00 C ATOM 33 O LYS A 3 5.830 5.267 -4.957 1.00 0.00 O ATOM 34 CB LYS A 3 5.449 3.289 -2.418 1.00 0.00 C ATOM 35 CG LYS A 3 4.356 4.343 -2.374 1.00 0.00 C ATOM 36 CD LYS A 3 3.149 3.862 -1.587 1.00 0.00 C ATOM 37 CE LYS A 3 2.832 4.794 -0.427 1.00 0.00 C ATOM 38 NZ LYS A 3 3.547 4.395 0.816 1.00 0.00 N ATOM 0 H LYS A 3 8.223 2.802 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 3 5.495 2.782 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.013 2.316 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.179 3.502 -1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.746 5.255 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.052 4.596 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.285 3.796 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.338 2.858 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.109 5.814 -0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.757 4.794 -0.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.305 5.054 1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.263 3.431 1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.573 4.420 0.649 1.00 0.00 H new ATOM 52 N CYS A 4 7.741 5.058 -3.788 1.00 0.00 N ATOM 53 CA CYS A 4 8.238 6.378 -4.154 1.00 0.00 C ATOM 54 C CYS A 4 8.219 6.567 -5.668 1.00 0.00 C ATOM 55 O CYS A 4 8.023 7.676 -6.165 1.00 0.00 O ATOM 56 CB CYS A 4 9.659 6.576 -3.623 1.00 0.00 C ATOM 57 SG CYS A 4 9.740 6.983 -1.849 1.00 0.00 S ATOM 0 H CYS A 4 8.365 4.526 -3.181 1.00 0.00 H new ATOM 0 HA CYS A 4 7.581 7.123 -3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 4 10.233 5.667 -3.803 1.00 0.00 H new ATOM 0 HB3 CYS A 4 10.140 7.373 -4.190 1.00 0.00 H new ATOM 62 N LYS A 5 8.423 5.475 -6.397 1.00 0.00 N ATOM 63 CA LYS A 5 8.428 5.517 -7.855 1.00 0.00 C ATOM 64 C LYS A 5 7.032 5.257 -8.412 1.00 0.00 C ATOM 65 O LYS A 5 6.281 4.441 -7.877 1.00 0.00 O ATOM 66 CB LYS A 5 9.412 4.485 -8.412 1.00 0.00 C ATOM 67 CG LYS A 5 10.869 4.847 -8.182 1.00 0.00 C ATOM 68 CD LYS A 5 11.785 4.111 -9.145 1.00 0.00 C ATOM 69 CE LYS A 5 12.936 3.437 -8.414 1.00 0.00 C ATOM 70 NZ LYS A 5 14.050 3.086 -9.337 1.00 0.00 N ATOM 0 H LYS A 5 8.587 4.549 -6.002 1.00 0.00 H new ATOM 0 HA LYS A 5 8.743 6.514 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.210 3.518 -7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.239 4.371 -9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.001 5.922 -8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.148 4.605 -7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.213 3.363 -9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.180 4.812 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.307 4.100 -7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.574 2.534 -7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.785 2.569 -8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.688 2.488 -10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.457 3.956 -9.736 1.00 0.00 H new ATOM 84 N LYS A 6 6.691 5.954 -9.490 1.00 0.00 N ATOM 85 CA LYS A 6 5.386 5.798 -10.121 1.00 0.00 C ATOM 86 C LYS A 6 5.535 5.502 -11.610 1.00 0.00 C ATOM 87 O LYS A 6 6.363 6.103 -12.294 1.00 0.00 O ATOM 88 CB LYS A 6 4.545 7.061 -9.923 1.00 0.00 C ATOM 89 CG LYS A 6 3.668 7.019 -8.684 1.00 0.00 C ATOM 90 CD LYS A 6 4.134 8.017 -7.637 1.00 0.00 C ATOM 91 CE LYS A 6 2.962 8.608 -6.869 1.00 0.00 C ATOM 92 NZ LYS A 6 3.414 9.523 -5.785 1.00 0.00 N ATOM 0 H LYS A 6 7.301 6.633 -9.945 1.00 0.00 H new ATOM 0 HA LYS A 6 4.880 4.956 -9.649 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.209 7.923 -9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.914 7.209 -10.800 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.636 7.235 -8.960 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.681 6.014 -8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.815 7.525 -6.942 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.695 8.817 -8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.314 9.152 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.366 7.803 -6.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.586 9.905 -5.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.011 8.998 -5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.961 10.306 -6.197 1.00 0.00 H new ATOM 106 N VAL A 7 4.725 4.571 -12.108 1.00 0.00 N ATOM 107 CA VAL A 7 4.765 4.198 -13.516 1.00 0.00 C ATOM 108 C VAL A 7 4.053 5.233 -14.380 1.00 0.00 C ATOM 109 O VAL A 7 2.976 5.715 -14.028 1.00 0.00 O ATOM 110 CB VAL A 7 4.120 2.819 -13.750 1.00 0.00 C ATOM 111 CG1 VAL A 7 2.700 2.795 -13.205 1.00 0.00 C ATOM 112 CG2 VAL A 7 4.138 2.466 -15.229 1.00 0.00 C ATOM 0 H VAL A 7 4.034 4.062 -11.556 1.00 0.00 H new ATOM 0 HA VAL A 7 5.816 4.153 -13.801 1.00 0.00 H new ATOM 0 HB VAL A 7 4.702 2.069 -13.214 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.260 1.813 -13.379 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.718 3.000 -12.135 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.103 3.555 -13.710 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.678 1.489 -15.375 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.580 3.217 -15.789 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.168 2.439 -15.584 1.00 0.00 H new ATOM 122 N TYR A 8 4.660 5.569 -15.512 1.00 0.00 N ATOM 123 CA TYR A 8 4.085 6.548 -16.427 1.00 0.00 C ATOM 124 C TYR A 8 2.885 5.964 -17.167 1.00 0.00 C ATOM 125 O TYR A 8 2.891 4.797 -17.555 1.00 0.00 O ATOM 126 CB TYR A 8 5.138 7.020 -17.431 1.00 0.00 C ATOM 127 CG TYR A 8 5.109 8.510 -17.683 1.00 0.00 C ATOM 128 CD1 TYR A 8 3.994 9.118 -18.246 1.00 0.00 C ATOM 129 CD2 TYR A 8 6.198 9.310 -17.360 1.00 0.00 C ATOM 130 CE1 TYR A 8 3.963 10.479 -18.479 1.00 0.00 C ATOM 131 CE2 TYR A 8 6.176 10.673 -17.589 1.00 0.00 C ATOM 132 CZ TYR A 8 5.057 11.252 -18.149 1.00 0.00 C ATOM 133 OH TYR A 8 5.031 12.609 -18.379 1.00 0.00 O ATOM 0 H TYR A 8 5.551 5.178 -15.819 1.00 0.00 H new ATOM 0 HA TYR A 8 3.746 7.401 -15.839 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.127 6.741 -17.066 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.987 6.497 -18.376 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.136 8.516 -18.506 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.077 8.859 -16.923 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.088 10.935 -18.917 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.030 11.281 -17.331 1.00 0.00 H new ATOM 0 HH TYR A 8 4.109 12.895 -18.547 1.00 0.00 H new ATOM 143 N GLU A 9 1.859 6.787 -17.358 1.00 0.00 N ATOM 144 CA GLU A 9 0.652 6.352 -18.052 1.00 0.00 C ATOM 145 C GLU A 9 1.001 5.558 -19.307 1.00 0.00 C ATOM 146 O GLU A 9 0.524 4.441 -19.500 1.00 0.00 O ATOM 147 CB GLU A 9 -0.212 7.559 -18.423 1.00 0.00 C ATOM 148 CG GLU A 9 -0.502 8.484 -17.253 1.00 0.00 C ATOM 149 CD GLU A 9 -1.972 8.509 -16.879 1.00 0.00 C ATOM 150 OE1 GLU A 9 -2.386 7.680 -16.042 1.00 0.00 O ATOM 151 OE2 GLU A 9 -2.707 9.358 -17.425 1.00 0.00 O ATOM 0 H GLU A 9 1.839 7.757 -17.043 1.00 0.00 H new ATOM 0 HA GLU A 9 0.090 5.705 -17.379 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.289 8.126 -19.208 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.156 7.205 -18.838 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.083 8.166 -16.390 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.178 9.494 -17.504 1.00 0.00 H new ATOM 158 N ASN A 10 1.838 6.144 -20.157 1.00 0.00 N ATOM 159 CA ASN A 10 2.251 5.492 -21.394 1.00 0.00 C ATOM 160 C ASN A 10 3.293 6.330 -22.129 1.00 0.00 C ATOM 161 O ASN A 10 2.996 7.421 -22.617 1.00 0.00 O ATOM 162 CB ASN A 10 1.040 5.255 -22.299 1.00 0.00 C ATOM 163 CG ASN A 10 -0.046 6.293 -22.095 1.00 0.00 C ATOM 164 OD1 ASN A 10 -1.151 5.974 -21.656 1.00 0.00 O ATOM 165 ND2 ASN A 10 0.264 7.544 -22.415 1.00 0.00 N ATOM 0 H ASN A 10 2.243 7.069 -20.012 1.00 0.00 H new ATOM 0 HA ASN A 10 2.698 4.532 -21.138 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.360 5.268 -23.341 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.632 4.263 -22.103 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.427 8.286 -22.300 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.193 7.763 -22.776 1.00 0.00 H new ATOM 172 N TYR A 11 4.514 5.812 -22.205 1.00 0.00 N ATOM 173 CA TYR A 11 5.601 6.513 -22.878 1.00 0.00 C ATOM 174 C TYR A 11 6.219 5.642 -23.967 1.00 0.00 C ATOM 175 O TYR A 11 6.097 4.417 -23.962 1.00 0.00 O ATOM 176 CB TYR A 11 6.673 6.925 -21.868 1.00 0.00 C ATOM 177 CG TYR A 11 6.718 8.413 -21.605 1.00 0.00 C ATOM 178 CD1 TYR A 11 5.548 9.147 -21.455 1.00 0.00 C ATOM 179 CD2 TYR A 11 7.930 9.084 -21.504 1.00 0.00 C ATOM 180 CE1 TYR A 11 5.584 10.507 -21.215 1.00 0.00 C ATOM 181 CE2 TYR A 11 7.976 10.444 -21.263 1.00 0.00 C ATOM 182 CZ TYR A 11 6.800 11.151 -21.119 1.00 0.00 C ATOM 183 OH TYR A 11 6.840 12.505 -20.879 1.00 0.00 O ATOM 0 H TYR A 11 4.776 4.909 -21.809 1.00 0.00 H new ATOM 0 HA TYR A 11 5.189 7.408 -23.345 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.494 6.404 -20.928 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.647 6.599 -22.232 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.594 8.646 -21.527 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.852 8.533 -21.616 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.665 11.063 -21.103 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.927 10.950 -21.188 1.00 0.00 H new ATOM 0 HH TYR A 11 6.284 12.716 -20.100 1.00 0.00 H new ATOM 193 N PRO A 12 6.901 6.288 -24.925 1.00 0.00 N ATOM 194 CA PRO A 12 7.554 5.592 -26.038 1.00 0.00 C ATOM 195 C PRO A 12 8.764 4.783 -25.586 1.00 0.00 C ATOM 196 O PRO A 12 9.664 5.307 -24.930 1.00 0.00 O ATOM 197 CB PRO A 12 7.988 6.733 -26.962 1.00 0.00 C ATOM 198 CG PRO A 12 8.128 7.914 -26.066 1.00 0.00 C ATOM 199 CD PRO A 12 7.087 7.747 -24.994 1.00 0.00 C ATOM 0 HA PRO A 12 6.891 4.869 -26.513 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.929 6.502 -27.462 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.249 6.914 -27.742 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.128 7.960 -25.635 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.975 8.842 -26.617 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.423 8.155 -24.041 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.160 8.259 -25.251 1.00 0.00 H new ATOM 207 N VAL A 13 8.780 3.502 -25.941 1.00 0.00 N ATOM 208 CA VAL A 13 9.881 2.620 -25.573 1.00 0.00 C ATOM 209 C VAL A 13 11.167 3.018 -26.288 1.00 0.00 C ATOM 210 O VAL A 13 12.267 2.743 -25.808 1.00 0.00 O ATOM 211 CB VAL A 13 9.557 1.150 -25.903 1.00 0.00 C ATOM 212 CG1 VAL A 13 10.756 0.261 -25.609 1.00 0.00 C ATOM 213 CG2 VAL A 13 8.335 0.687 -25.124 1.00 0.00 C ATOM 0 H VAL A 13 8.043 3.052 -26.483 1.00 0.00 H new ATOM 0 HA VAL A 13 10.021 2.721 -24.497 1.00 0.00 H new ATOM 0 HB VAL A 13 9.331 1.075 -26.967 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.509 -0.773 -25.848 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.604 0.581 -26.215 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.016 0.338 -24.553 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.120 -0.353 -25.369 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.530 0.775 -24.055 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.478 1.307 -25.389 1.00 0.00 H new ATOM 223 N SER A 14 11.021 3.669 -27.438 1.00 0.00 N ATOM 224 CA SER A 14 12.171 4.103 -28.222 1.00 0.00 C ATOM 225 C SER A 14 12.981 5.151 -27.464 1.00 0.00 C ATOM 226 O SER A 14 14.212 5.117 -27.458 1.00 0.00 O ATOM 227 CB SER A 14 11.714 4.670 -29.567 1.00 0.00 C ATOM 228 OG SER A 14 11.528 3.638 -30.519 1.00 0.00 O ATOM 0 H SER A 14 10.118 3.907 -27.847 1.00 0.00 H new ATOM 0 HA SER A 14 12.807 3.236 -28.399 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.782 5.220 -29.436 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.454 5.380 -29.936 1.00 0.00 H new ATOM 0 HG SER A 14 11.234 4.026 -31.369 1.00 0.00 H new ATOM 234 N LYS A 15 12.281 6.081 -26.824 1.00 0.00 N ATOM 235 CA LYS A 15 12.931 7.140 -26.061 1.00 0.00 C ATOM 236 C LYS A 15 13.488 6.600 -24.748 1.00 0.00 C ATOM 237 O LYS A 15 14.514 7.071 -24.256 1.00 0.00 O ATOM 238 CB LYS A 15 11.944 8.275 -25.780 1.00 0.00 C ATOM 239 CG LYS A 15 11.500 9.017 -27.029 1.00 0.00 C ATOM 240 CD LYS A 15 11.135 10.459 -26.720 1.00 0.00 C ATOM 241 CE LYS A 15 9.665 10.734 -26.998 1.00 0.00 C ATOM 242 NZ LYS A 15 9.405 12.183 -27.222 1.00 0.00 N ATOM 0 H LYS A 15 11.262 6.123 -26.818 1.00 0.00 H new ATOM 0 HA LYS A 15 13.759 7.526 -26.656 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.066 7.867 -25.279 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.404 8.983 -25.091 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.299 8.994 -27.770 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.642 8.510 -27.469 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.355 10.675 -25.675 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.751 11.128 -27.321 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.349 10.169 -27.875 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.065 10.383 -26.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.392 12.329 -27.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.683 12.720 -26.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.958 12.513 -28.039 1.00 0.00 H new ATOM 256 N CYS A 16 12.807 5.608 -24.184 1.00 0.00 N ATOM 257 CA CYS A 16 13.233 5.003 -22.928 1.00 0.00 C ATOM 258 C CYS A 16 14.666 4.489 -23.032 1.00 0.00 C ATOM 259 O CYS A 16 15.369 4.375 -22.027 1.00 0.00 O ATOM 260 CB CYS A 16 12.295 3.856 -22.546 1.00 0.00 C ATOM 261 SG CYS A 16 11.632 3.972 -20.853 1.00 0.00 S ATOM 0 H CYS A 16 11.956 5.206 -24.578 1.00 0.00 H new ATOM 0 HA CYS A 16 13.194 5.768 -22.153 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.463 3.831 -23.250 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.830 2.912 -22.652 1.00 0.00 H new ATOM 266 N GLN A 17 15.092 4.181 -24.252 1.00 0.00 N ATOM 267 CA GLN A 17 16.441 3.679 -24.486 1.00 0.00 C ATOM 268 C GLN A 17 17.484 4.638 -23.923 1.00 0.00 C ATOM 269 O GLN A 17 18.610 4.240 -23.620 1.00 0.00 O ATOM 270 CB GLN A 17 16.678 3.470 -25.983 1.00 0.00 C ATOM 271 CG GLN A 17 16.287 2.086 -26.474 1.00 0.00 C ATOM 272 CD GLN A 17 17.160 1.603 -27.616 1.00 0.00 C ATOM 273 OE1 GLN A 17 18.385 1.555 -27.498 1.00 0.00 O ATOM 274 NE2 GLN A 17 16.533 1.242 -28.729 1.00 0.00 N ATOM 0 H GLN A 17 14.523 4.270 -25.094 1.00 0.00 H new ATOM 0 HA GLN A 17 16.539 2.722 -23.973 1.00 0.00 H new ATOM 0 HB2 GLN A 17 16.112 4.217 -26.540 1.00 0.00 H new ATOM 0 HB3 GLN A 17 17.732 3.640 -26.203 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.353 1.379 -25.647 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.246 2.100 -26.798 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.516 1.298 -28.783 1.00 0.00 H new ATOM 0 HE22 GLN A 17 17.068 0.908 -29.531 1.00 0.00 H new ATOM 283 N LEU A 18 17.104 5.903 -23.786 1.00 0.00 N ATOM 284 CA LEU A 18 18.007 6.921 -23.259 1.00 0.00 C ATOM 285 C LEU A 18 17.588 7.347 -21.855 1.00 0.00 C ATOM 286 O LEU A 18 16.521 7.930 -21.666 1.00 0.00 O ATOM 287 CB LEU A 18 18.033 8.137 -24.187 1.00 0.00 C ATOM 288 CG LEU A 18 18.329 7.851 -25.659 1.00 0.00 C ATOM 289 CD1 LEU A 18 18.247 9.130 -26.478 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.698 7.204 -25.813 1.00 0.00 C ATOM 0 H LEU A 18 16.177 6.249 -24.032 1.00 0.00 H new ATOM 0 HA LEU A 18 19.007 6.491 -23.205 1.00 0.00 H new ATOM 0 HB2 LEU A 18 17.068 8.639 -24.122 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.782 8.836 -23.816 1.00 0.00 H new ATOM 0 HG LEU A 18 17.577 7.156 -26.032 1.00 0.00 H new ATOM 0 HD11 LEU A 18 18.461 8.907 -27.523 1.00 0.00 H new ATOM 0 HD12 LEU A 18 17.246 9.552 -26.394 1.00 0.00 H new ATOM 0 HD13 LEU A 18 18.976 9.849 -26.104 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.891 7.008 -26.868 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.463 7.875 -25.423 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.721 6.265 -25.259 1.00 0.00 H new ATOM 302 N ALA A 19 18.436 7.053 -20.875 1.00 0.00 N ATOM 303 CA ALA A 19 18.156 7.409 -19.490 1.00 0.00 C ATOM 304 C ALA A 19 17.979 8.916 -19.336 1.00 0.00 C ATOM 305 O ALA A 19 17.200 9.377 -18.503 1.00 0.00 O ATOM 306 CB ALA A 19 19.269 6.911 -18.581 1.00 0.00 C ATOM 0 H ALA A 19 19.323 6.569 -21.015 1.00 0.00 H new ATOM 0 HA ALA A 19 17.222 6.928 -19.199 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.046 7.184 -17.550 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.346 5.827 -18.661 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.214 7.365 -18.880 1.00 0.00 H new ATOM 312 N ASN A 20 18.708 9.679 -20.144 1.00 0.00 N ATOM 313 CA ASN A 20 18.633 11.134 -20.096 1.00 0.00 C ATOM 314 C ASN A 20 17.264 11.623 -20.560 1.00 0.00 C ATOM 315 O ASN A 20 16.858 12.744 -20.252 1.00 0.00 O ATOM 316 CB ASN A 20 19.729 11.752 -20.966 1.00 0.00 C ATOM 317 CG ASN A 20 21.020 10.957 -20.919 1.00 0.00 C ATOM 318 OD1 ASN A 20 21.396 10.306 -21.894 1.00 0.00 O ATOM 319 ND2 ASN A 20 21.705 11.008 -19.783 1.00 0.00 N ATOM 0 H ASN A 20 19.358 9.313 -20.840 1.00 0.00 H new ATOM 0 HA ASN A 20 18.780 11.446 -19.062 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.380 11.813 -21.997 1.00 0.00 H new ATOM 0 HB3 ASN A 20 19.921 12.772 -20.634 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.582 10.494 -19.693 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.355 11.561 -19.001 1.00 0.00 H new ATOM 326 N GLN A 21 16.558 10.775 -21.301 1.00 0.00 N ATOM 327 CA GLN A 21 15.236 11.122 -21.807 1.00 0.00 C ATOM 328 C GLN A 21 14.166 10.873 -20.749 1.00 0.00 C ATOM 329 O GLN A 21 13.422 11.782 -20.378 1.00 0.00 O ATOM 330 CB GLN A 21 14.921 10.314 -23.067 1.00 0.00 C ATOM 331 CG GLN A 21 15.321 11.015 -24.355 1.00 0.00 C ATOM 332 CD GLN A 21 14.175 11.784 -24.981 1.00 0.00 C ATOM 333 OE1 GLN A 21 13.766 11.503 -26.108 1.00 0.00 O ATOM 334 NE2 GLN A 21 13.649 12.762 -24.252 1.00 0.00 N ATOM 0 H GLN A 21 16.879 9.843 -21.564 1.00 0.00 H new ATOM 0 HA GLN A 21 15.236 12.183 -22.055 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.435 9.354 -23.011 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.852 10.102 -23.095 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.144 11.700 -24.151 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.690 10.276 -25.067 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.019 12.961 -23.322 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.875 13.314 -24.622 1.00 0.00 H new ATOM 343 N CYS A 22 14.093 9.637 -20.267 1.00 0.00 N ATOM 344 CA CYS A 22 13.114 9.268 -19.252 1.00 0.00 C ATOM 345 C CYS A 22 13.170 10.227 -18.067 1.00 0.00 C ATOM 346 O CYS A 22 12.141 10.707 -17.594 1.00 0.00 O ATOM 347 CB CYS A 22 13.358 7.835 -18.775 1.00 0.00 C ATOM 348 SG CYS A 22 11.863 6.985 -18.175 1.00 0.00 S ATOM 0 H CYS A 22 14.701 8.873 -20.563 1.00 0.00 H new ATOM 0 HA CYS A 22 12.122 9.331 -19.700 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.786 7.259 -19.595 1.00 0.00 H new ATOM 0 HB3 CYS A 22 14.099 7.851 -17.976 1.00 0.00 H new ATOM 353 N ASN A 23 14.381 10.501 -17.592 1.00 0.00 N ATOM 354 CA ASN A 23 14.573 11.403 -16.462 1.00 0.00 C ATOM 355 C ASN A 23 14.156 12.825 -16.824 1.00 0.00 C ATOM 356 O ASN A 23 13.313 13.425 -16.157 1.00 0.00 O ATOM 357 CB ASN A 23 16.035 11.387 -16.013 1.00 0.00 C ATOM 358 CG ASN A 23 16.217 11.952 -14.617 1.00 0.00 C ATOM 359 OD1 ASN A 23 16.121 11.229 -13.625 1.00 0.00 O ATOM 360 ND2 ASN A 23 16.482 13.251 -14.535 1.00 0.00 N ATOM 0 H ASN A 23 15.244 10.111 -17.972 1.00 0.00 H new ATOM 0 HA ASN A 23 13.944 11.057 -15.642 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.409 10.364 -16.040 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.635 11.964 -16.717 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.615 13.688 -13.623 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.553 13.812 -15.384 1.00 0.00 H new ATOM 367 N TYR A 24 14.752 13.358 -17.885 1.00 0.00 N ATOM 368 CA TYR A 24 14.445 14.711 -18.336 1.00 0.00 C ATOM 369 C TYR A 24 12.940 14.899 -18.506 1.00 0.00 C ATOM 370 O TYR A 24 12.373 15.896 -18.058 1.00 0.00 O ATOM 371 CB TYR A 24 15.160 15.006 -19.655 1.00 0.00 C ATOM 372 CG TYR A 24 14.973 16.426 -20.140 1.00 0.00 C ATOM 373 CD1 TYR A 24 15.497 17.498 -19.428 1.00 0.00 C ATOM 374 CD2 TYR A 24 14.273 16.696 -21.309 1.00 0.00 C ATOM 375 CE1 TYR A 24 15.329 18.798 -19.866 1.00 0.00 C ATOM 376 CE2 TYR A 24 14.101 17.992 -21.756 1.00 0.00 C ATOM 377 CZ TYR A 24 14.631 19.039 -21.031 1.00 0.00 C ATOM 378 OH TYR A 24 14.460 20.331 -21.472 1.00 0.00 O ATOM 0 H TYR A 24 15.451 12.874 -18.449 1.00 0.00 H new ATOM 0 HA TYR A 24 14.797 15.409 -17.577 1.00 0.00 H new ATOM 0 HB2 TYR A 24 16.225 14.810 -19.533 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.795 14.319 -20.418 1.00 0.00 H new ATOM 0 HD1 TYR A 24 16.045 17.312 -18.516 1.00 0.00 H new ATOM 0 HD2 TYR A 24 13.856 15.879 -21.878 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.742 19.620 -19.300 1.00 0.00 H new ATOM 0 HE2 TYR A 24 13.555 18.184 -22.668 1.00 0.00 H new ATOM 0 HH TYR A 24 13.947 20.326 -22.307 1.00 0.00 H new ATOM 388 N ASP A 25 12.300 13.934 -19.157 1.00 0.00 N ATOM 389 CA ASP A 25 10.861 13.991 -19.386 1.00 0.00 C ATOM 390 C ASP A 25 10.096 13.857 -18.074 1.00 0.00 C ATOM 391 O ASP A 25 9.213 14.661 -17.772 1.00 0.00 O ATOM 392 CB ASP A 25 10.433 12.887 -20.355 1.00 0.00 C ATOM 393 CG ASP A 25 9.441 13.379 -21.391 1.00 0.00 C ATOM 394 OD1 ASP A 25 8.712 14.351 -21.100 1.00 0.00 O ATOM 395 OD2 ASP A 25 9.393 12.792 -22.492 1.00 0.00 O ATOM 0 H ASP A 25 12.755 13.103 -19.535 1.00 0.00 H new ATOM 0 HA ASP A 25 10.626 14.961 -19.825 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.313 12.489 -20.859 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.989 12.066 -19.792 1.00 0.00 H new ATOM 400 N CYS A 26 10.439 12.835 -17.296 1.00 0.00 N ATOM 401 CA CYS A 26 9.784 12.594 -16.016 1.00 0.00 C ATOM 402 C CYS A 26 9.859 13.830 -15.125 1.00 0.00 C ATOM 403 O CYS A 26 8.874 14.215 -14.495 1.00 0.00 O ATOM 404 CB CYS A 26 10.429 11.401 -15.307 1.00 0.00 C ATOM 405 SG CYS A 26 9.895 11.187 -13.578 1.00 0.00 S ATOM 0 H CYS A 26 11.167 12.160 -17.530 1.00 0.00 H new ATOM 0 HA CYS A 26 8.735 12.370 -16.209 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.197 10.493 -15.863 1.00 0.00 H new ATOM 0 HB3 CYS A 26 11.512 11.521 -15.330 1.00 0.00 H new ATOM 410 N LYS A 27 11.033 14.449 -15.078 1.00 0.00 N ATOM 411 CA LYS A 27 11.238 15.643 -14.267 1.00 0.00 C ATOM 412 C LYS A 27 10.680 16.878 -14.966 1.00 0.00 C ATOM 413 O LYS A 27 10.731 17.985 -14.428 1.00 0.00 O ATOM 414 CB LYS A 27 12.728 15.838 -13.976 1.00 0.00 C ATOM 415 CG LYS A 27 13.003 16.775 -12.812 1.00 0.00 C ATOM 416 CD LYS A 27 14.076 17.794 -13.159 1.00 0.00 C ATOM 417 CE LYS A 27 13.490 19.189 -13.312 1.00 0.00 C ATOM 418 NZ LYS A 27 13.886 20.083 -12.188 1.00 0.00 N ATOM 0 H LYS A 27 11.859 14.143 -15.593 1.00 0.00 H new ATOM 0 HA LYS A 27 10.705 15.508 -13.326 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.178 14.868 -13.765 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.216 16.229 -14.869 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.084 17.292 -12.535 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.317 16.196 -11.944 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.838 17.802 -12.380 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.571 17.502 -14.085 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.824 19.622 -14.255 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.403 19.123 -13.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.467 21.024 -12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.546 19.683 -11.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.922 20.166 -12.159 1.00 0.00 H new ATOM 432 N LEU A 28 10.148 16.683 -16.167 1.00 0.00 N ATOM 433 CA LEU A 28 9.578 17.781 -16.940 1.00 0.00 C ATOM 434 C LEU A 28 8.056 17.785 -16.842 1.00 0.00 C ATOM 435 O LEU A 28 7.448 18.802 -16.509 1.00 0.00 O ATOM 436 CB LEU A 28 10.006 17.675 -18.405 1.00 0.00 C ATOM 437 CG LEU A 28 9.431 18.731 -19.350 1.00 0.00 C ATOM 438 CD1 LEU A 28 10.184 20.044 -19.205 1.00 0.00 C ATOM 439 CD2 LEU A 28 9.481 18.241 -20.790 1.00 0.00 C ATOM 0 H LEU A 28 10.099 15.774 -16.627 1.00 0.00 H new ATOM 0 HA LEU A 28 9.952 18.717 -16.525 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.094 17.730 -18.450 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.721 16.690 -18.776 1.00 0.00 H new ATOM 0 HG LEU A 28 8.389 18.903 -19.081 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.761 20.783 -19.885 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.096 20.402 -18.179 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.236 19.889 -19.446 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.068 19.005 -21.449 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.515 18.041 -21.070 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.896 17.326 -20.884 1.00 0.00 H new ATOM 451 N ASP A 29 7.447 16.640 -17.131 1.00 0.00 N ATOM 452 CA ASP A 29 5.996 16.510 -17.072 1.00 0.00 C ATOM 453 C ASP A 29 5.538 16.164 -15.659 1.00 0.00 C ATOM 454 O ASP A 29 4.622 16.786 -15.121 1.00 0.00 O ATOM 455 CB ASP A 29 5.518 15.439 -18.054 1.00 0.00 C ATOM 456 CG ASP A 29 4.947 16.032 -19.326 1.00 0.00 C ATOM 457 OD1 ASP A 29 4.191 17.022 -19.231 1.00 0.00 O ATOM 458 OD2 ASP A 29 5.254 15.507 -20.417 1.00 0.00 O ATOM 0 H ASP A 29 7.936 15.789 -17.408 1.00 0.00 H new ATOM 0 HA ASP A 29 5.559 17.469 -17.351 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.351 14.783 -18.305 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.760 14.821 -17.572 1.00 0.00 H new ATOM 463 N LYS A 30 6.182 15.166 -15.062 1.00 0.00 N ATOM 464 CA LYS A 30 5.843 14.736 -13.711 1.00 0.00 C ATOM 465 C LYS A 30 6.594 15.562 -12.672 1.00 0.00 C ATOM 466 O LYS A 30 6.240 15.566 -11.493 1.00 0.00 O ATOM 467 CB LYS A 30 6.167 13.252 -13.530 1.00 0.00 C ATOM 468 CG LYS A 30 5.666 12.377 -14.666 1.00 0.00 C ATOM 469 CD LYS A 30 4.713 11.304 -14.165 1.00 0.00 C ATOM 470 CE LYS A 30 3.754 10.857 -15.257 1.00 0.00 C ATOM 471 NZ LYS A 30 2.405 10.537 -14.714 1.00 0.00 N ATOM 0 H LYS A 30 6.942 14.640 -15.493 1.00 0.00 H new ATOM 0 HA LYS A 30 4.774 14.888 -13.566 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.247 13.133 -13.440 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.729 12.905 -12.594 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.161 12.996 -15.408 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.513 11.908 -15.166 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.284 10.447 -13.807 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.147 11.687 -13.316 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.666 11.643 -16.007 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.160 9.980 -15.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.781 10.236 -15.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.485 9.770 -14.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.006 11.381 -14.256 1.00 0.00 H new ATOM 485 N HIS A 31 7.633 16.262 -13.117 1.00 0.00 N ATOM 486 CA HIS A 31 8.433 17.094 -12.226 1.00 0.00 C ATOM 487 C HIS A 31 8.977 16.273 -11.060 1.00 0.00 C ATOM 488 O HIS A 31 9.204 16.800 -9.971 1.00 0.00 O ATOM 489 CB HIS A 31 7.600 18.262 -11.698 1.00 0.00 C ATOM 490 CG HIS A 31 8.262 19.594 -11.865 1.00 0.00 C ATOM 491 ND1 HIS A 31 9.129 20.125 -10.933 1.00 0.00 N ATOM 492 CD2 HIS A 31 8.183 20.504 -12.864 1.00 0.00 C ATOM 493 CE1 HIS A 31 9.553 21.305 -11.351 1.00 0.00 C ATOM 494 NE2 HIS A 31 8.993 21.558 -12.520 1.00 0.00 N ATOM 0 H HIS A 31 7.940 16.269 -14.090 1.00 0.00 H new ATOM 0 HA HIS A 31 9.275 17.488 -12.795 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.640 18.275 -12.214 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.391 18.100 -10.641 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.593 20.417 -13.764 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.240 21.952 -10.826 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.139 22.400 -13.077 1.00 0.00 H new ATOM 502 N ALA A 32 9.182 14.982 -11.296 1.00 0.00 N ATOM 503 CA ALA A 32 9.700 14.090 -10.266 1.00 0.00 C ATOM 504 C ALA A 32 11.201 14.283 -10.076 1.00 0.00 C ATOM 505 O ALA A 32 11.901 14.715 -10.992 1.00 0.00 O ATOM 506 CB ALA A 32 9.392 12.642 -10.619 1.00 0.00 C ATOM 0 H ALA A 32 8.997 14.530 -12.192 1.00 0.00 H new ATOM 0 HA ALA A 32 9.207 14.336 -9.325 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.784 11.987 -9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.313 12.508 -10.696 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.858 12.393 -11.573 1.00 0.00 H new ATOM 512 N ARG A 33 11.687 13.961 -8.882 1.00 0.00 N ATOM 513 CA ARG A 33 13.105 14.101 -8.572 1.00 0.00 C ATOM 514 C ARG A 33 13.964 13.434 -9.642 1.00 0.00 C ATOM 515 O ARG A 33 14.994 13.972 -10.050 1.00 0.00 O ATOM 516 CB ARG A 33 13.412 13.491 -7.203 1.00 0.00 C ATOM 517 CG ARG A 33 13.067 14.403 -6.038 1.00 0.00 C ATOM 518 CD ARG A 33 11.904 13.853 -5.226 1.00 0.00 C ATOM 519 NE ARG A 33 11.958 14.286 -3.832 1.00 0.00 N ATOM 520 CZ ARG A 33 11.737 15.536 -3.441 1.00 0.00 C ATOM 521 NH1 ARG A 33 11.450 16.472 -4.335 1.00 0.00 N ATOM 522 NH2 ARG A 33 11.804 15.852 -2.154 1.00 0.00 N ATOM 0 H ARG A 33 11.120 13.602 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 33 13.343 15.164 -8.550 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.859 12.558 -7.099 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.472 13.241 -7.156 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.939 14.519 -5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.814 15.395 -6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.964 14.180 -5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.915 12.764 -5.268 1.00 0.00 H new ATOM 0 HE ARG A 33 12.178 13.590 -3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.399 16.233 -5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.281 17.431 -4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.025 15.135 -1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.634 16.812 -1.855 1.00 0.00 H new ATOM 536 N SER A 34 13.534 12.261 -10.094 1.00 0.00 N ATOM 537 CA SER A 34 14.265 11.518 -11.113 1.00 0.00 C ATOM 538 C SER A 34 13.334 10.583 -11.878 1.00 0.00 C ATOM 539 O SER A 34 12.127 10.559 -11.639 1.00 0.00 O ATOM 540 CB SER A 34 15.400 10.716 -10.474 1.00 0.00 C ATOM 541 OG SER A 34 15.340 10.785 -9.060 1.00 0.00 O ATOM 0 H SER A 34 12.682 11.804 -9.770 1.00 0.00 H new ATOM 0 HA SER A 34 14.688 12.235 -11.816 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.339 9.676 -10.793 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.360 11.100 -10.820 1.00 0.00 H new ATOM 0 HG SER A 34 16.075 10.263 -8.676 1.00 0.00 H new ATOM 547 N GLY A 35 13.904 9.813 -12.800 1.00 0.00 N ATOM 548 CA GLY A 35 13.111 8.887 -13.587 1.00 0.00 C ATOM 549 C GLY A 35 13.961 7.839 -14.278 1.00 0.00 C ATOM 550 O GLY A 35 14.990 8.158 -14.872 1.00 0.00 O ATOM 0 H GLY A 35 14.901 9.814 -13.016 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.386 8.394 -12.940 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.545 9.442 -14.335 1.00 0.00 H new ATOM 554 N GLU A 36 13.530 6.583 -14.199 1.00 0.00 N ATOM 555 CA GLU A 36 14.261 5.485 -14.820 1.00 0.00 C ATOM 556 C GLU A 36 13.335 4.639 -15.690 1.00 0.00 C ATOM 557 O GLU A 36 12.118 4.827 -15.687 1.00 0.00 O ATOM 558 CB GLU A 36 14.915 4.609 -13.750 1.00 0.00 C ATOM 559 CG GLU A 36 16.303 5.077 -13.346 1.00 0.00 C ATOM 560 CD GLU A 36 16.295 5.883 -12.061 1.00 0.00 C ATOM 561 OE1 GLU A 36 15.883 5.333 -11.018 1.00 0.00 O ATOM 562 OE2 GLU A 36 16.701 7.063 -12.098 1.00 0.00 O ATOM 0 H GLU A 36 12.679 6.302 -13.712 1.00 0.00 H new ATOM 0 HA GLU A 36 15.038 5.912 -15.454 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.276 4.590 -12.867 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.979 3.585 -14.119 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.953 4.211 -13.223 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.726 5.682 -14.148 1.00 0.00 H new ATOM 569 N CYS A 37 13.921 3.707 -16.434 1.00 0.00 N ATOM 570 CA CYS A 37 13.151 2.832 -17.310 1.00 0.00 C ATOM 571 C CYS A 37 13.150 1.400 -16.784 1.00 0.00 C ATOM 572 O CYS A 37 14.161 0.912 -16.277 1.00 0.00 O ATOM 573 CB CYS A 37 13.723 2.865 -18.729 1.00 0.00 C ATOM 574 SG CYS A 37 13.340 4.390 -19.649 1.00 0.00 S ATOM 0 H CYS A 37 14.927 3.538 -16.448 1.00 0.00 H new ATOM 0 HA CYS A 37 12.123 3.194 -17.331 1.00 0.00 H new ATOM 0 HB2 CYS A 37 14.805 2.747 -18.676 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.336 2.011 -19.285 1.00 0.00 H new ATOM 579 N PHE A 38 12.009 0.730 -16.907 1.00 0.00 N ATOM 580 CA PHE A 38 11.875 -0.646 -16.444 1.00 0.00 C ATOM 581 C PHE A 38 11.627 -1.593 -17.615 1.00 0.00 C ATOM 582 O PHE A 38 11.223 -1.166 -18.697 1.00 0.00 O ATOM 583 CB PHE A 38 10.733 -0.757 -15.432 1.00 0.00 C ATOM 584 CG PHE A 38 11.146 -0.439 -14.024 1.00 0.00 C ATOM 585 CD1 PHE A 38 11.826 0.733 -13.736 1.00 0.00 C ATOM 586 CD2 PHE A 38 10.853 -1.311 -12.988 1.00 0.00 C ATOM 587 CE1 PHE A 38 12.208 1.028 -12.441 1.00 0.00 C ATOM 588 CE2 PHE A 38 11.232 -1.021 -11.691 1.00 0.00 C ATOM 589 CZ PHE A 38 11.910 0.151 -11.417 1.00 0.00 C ATOM 0 H PHE A 38 11.163 1.118 -17.324 1.00 0.00 H new ATOM 0 HA PHE A 38 12.809 -0.933 -15.960 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.930 -0.082 -15.728 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.328 -1.768 -15.463 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.060 1.424 -14.532 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.322 -2.228 -13.196 1.00 0.00 H new ATOM 0 HE1 PHE A 38 12.739 1.944 -12.230 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.998 -1.710 -10.893 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.206 0.381 -10.404 1.00 0.00 H new ATOM 599 N TYR A 39 11.873 -2.878 -17.390 1.00 0.00 N ATOM 600 CA TYR A 39 11.679 -3.886 -18.426 1.00 0.00 C ATOM 601 C TYR A 39 10.401 -4.681 -18.181 1.00 0.00 C ATOM 602 O TYR A 39 10.406 -5.685 -17.468 1.00 0.00 O ATOM 603 CB TYR A 39 12.880 -4.833 -18.477 1.00 0.00 C ATOM 604 CG TYR A 39 13.692 -4.713 -19.746 1.00 0.00 C ATOM 605 CD1 TYR A 39 13.074 -4.707 -20.991 1.00 0.00 C ATOM 606 CD2 TYR A 39 15.077 -4.607 -19.702 1.00 0.00 C ATOM 607 CE1 TYR A 39 13.812 -4.599 -22.154 1.00 0.00 C ATOM 608 CE2 TYR A 39 15.822 -4.497 -20.859 1.00 0.00 C ATOM 609 CZ TYR A 39 15.186 -4.494 -22.083 1.00 0.00 C ATOM 610 OH TYR A 39 15.925 -4.386 -23.238 1.00 0.00 O ATOM 0 H TYR A 39 12.207 -3.247 -16.500 1.00 0.00 H new ATOM 0 HA TYR A 39 11.588 -3.373 -19.383 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.526 -4.633 -17.622 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.527 -5.859 -18.377 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.999 -4.788 -21.050 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.579 -4.611 -18.746 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.316 -4.597 -23.113 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.897 -4.414 -20.806 1.00 0.00 H new ATOM 0 HH TYR A 39 16.876 -4.320 -23.013 1.00 0.00 H new ATOM 620 N LYS A 40 9.305 -4.224 -18.777 1.00 0.00 N ATOM 621 CA LYS A 40 8.017 -4.892 -18.627 1.00 0.00 C ATOM 622 C LYS A 40 7.773 -5.867 -19.774 1.00 0.00 C ATOM 623 O LYS A 40 8.558 -5.937 -20.719 1.00 0.00 O ATOM 624 CB LYS A 40 6.888 -3.860 -18.572 1.00 0.00 C ATOM 625 CG LYS A 40 5.996 -3.999 -17.351 1.00 0.00 C ATOM 626 CD LYS A 40 4.667 -4.647 -17.702 1.00 0.00 C ATOM 627 CE LYS A 40 4.393 -5.864 -16.832 1.00 0.00 C ATOM 628 NZ LYS A 40 3.627 -5.507 -15.605 1.00 0.00 N ATOM 0 H LYS A 40 9.283 -3.393 -19.369 1.00 0.00 H new ATOM 0 HA LYS A 40 8.034 -5.454 -17.693 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.321 -2.860 -18.583 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.277 -3.954 -19.470 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.504 -4.596 -16.594 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.819 -3.016 -16.915 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.863 -3.921 -17.578 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.671 -4.942 -18.751 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.835 -6.603 -17.407 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.338 -6.328 -16.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.460 -6.363 -15.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.171 -4.821 -15.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.715 -5.088 -15.875 1.00 0.00 H new ATOM 642 N GLU A 41 6.679 -6.618 -19.684 1.00 0.00 N ATOM 643 CA GLU A 41 6.332 -7.588 -20.716 1.00 0.00 C ATOM 644 C GLU A 41 7.528 -8.474 -21.053 1.00 0.00 C ATOM 645 O GLU A 41 8.502 -8.535 -20.302 1.00 0.00 O ATOM 646 CB GLU A 41 5.842 -6.873 -21.976 1.00 0.00 C ATOM 647 CG GLU A 41 4.802 -5.800 -21.701 1.00 0.00 C ATOM 648 CD GLU A 41 3.517 -6.366 -21.127 1.00 0.00 C ATOM 649 OE1 GLU A 41 3.531 -6.797 -19.955 1.00 0.00 O ATOM 650 OE2 GLU A 41 2.499 -6.378 -21.850 1.00 0.00 O ATOM 0 H GLU A 41 6.019 -6.573 -18.908 1.00 0.00 H new ATOM 0 HA GLU A 41 5.531 -8.219 -20.331 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.695 -6.420 -22.481 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.420 -7.609 -22.661 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.215 -5.069 -21.006 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.579 -5.269 -22.627 1.00 0.00 H new ATOM 657 N LYS A 42 7.448 -9.159 -22.189 1.00 0.00 N ATOM 658 CA LYS A 42 8.522 -10.042 -22.628 1.00 0.00 C ATOM 659 C LYS A 42 9.657 -9.243 -23.262 1.00 0.00 C ATOM 660 O LYS A 42 10.829 -9.464 -22.956 1.00 0.00 O ATOM 661 CB LYS A 42 7.988 -11.070 -23.628 1.00 0.00 C ATOM 662 CG LYS A 42 8.360 -12.502 -23.285 1.00 0.00 C ATOM 663 CD LYS A 42 7.685 -13.493 -24.217 1.00 0.00 C ATOM 664 CE LYS A 42 8.630 -13.962 -25.312 1.00 0.00 C ATOM 665 NZ LYS A 42 7.952 -14.042 -26.635 1.00 0.00 N ATOM 0 H LYS A 42 6.650 -9.119 -22.823 1.00 0.00 H new ATOM 0 HA LYS A 42 8.911 -10.563 -21.753 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.902 -10.987 -23.677 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.371 -10.832 -24.620 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.442 -12.622 -23.346 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.073 -12.716 -22.255 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.335 -14.352 -23.645 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.806 -13.031 -24.667 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.476 -13.278 -25.379 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.031 -14.941 -25.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.630 -14.365 -27.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.160 -14.714 -26.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.591 -13.103 -26.897 1.00 0.00 H new ATOM 679 N ARG A 43 9.301 -8.314 -24.143 1.00 0.00 N ATOM 680 CA ARG A 43 10.290 -7.483 -24.819 1.00 0.00 C ATOM 681 C ARG A 43 9.983 -6.002 -24.618 1.00 0.00 C ATOM 682 O ARG A 43 10.892 -5.178 -24.518 1.00 0.00 O ATOM 683 CB ARG A 43 10.327 -7.810 -26.313 1.00 0.00 C ATOM 684 CG ARG A 43 10.701 -9.252 -26.612 1.00 0.00 C ATOM 685 CD ARG A 43 11.297 -9.396 -28.003 1.00 0.00 C ATOM 686 NE ARG A 43 11.234 -10.773 -28.486 1.00 0.00 N ATOM 687 CZ ARG A 43 11.806 -11.183 -29.613 1.00 0.00 C ATOM 688 NH1 ARG A 43 12.481 -10.327 -30.368 1.00 0.00 N ATOM 689 NH2 ARG A 43 11.705 -12.453 -29.985 1.00 0.00 N ATOM 0 H ARG A 43 8.335 -8.118 -24.405 1.00 0.00 H new ATOM 0 HA ARG A 43 11.266 -7.696 -24.384 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.349 -7.600 -26.747 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.042 -7.149 -26.803 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.417 -9.605 -25.870 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.817 -9.884 -26.527 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.764 -8.744 -28.695 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.335 -9.064 -27.989 1.00 0.00 H new ATOM 0 HE ARG A 43 10.723 -11.457 -27.928 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.562 -9.351 -30.084 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.919 -10.645 -31.233 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.188 -13.115 -29.406 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.144 -12.767 -30.850 1.00 0.00 H new ATOM 703 N ASN A 44 8.697 -5.671 -24.561 1.00 0.00 N ATOM 704 CA ASN A 44 8.271 -4.289 -24.374 1.00 0.00 C ATOM 705 C ASN A 44 9.016 -3.643 -23.211 1.00 0.00 C ATOM 706 O ASN A 44 9.611 -4.332 -22.380 1.00 0.00 O ATOM 707 CB ASN A 44 6.763 -4.229 -24.125 1.00 0.00 C ATOM 708 CG ASN A 44 6.196 -2.839 -24.344 1.00 0.00 C ATOM 709 OD1 ASN A 44 5.711 -2.200 -23.411 1.00 0.00 O ATOM 710 ND2 ASN A 44 6.254 -2.366 -25.584 1.00 0.00 N ATOM 0 H ASN A 44 7.932 -6.341 -24.642 1.00 0.00 H new ATOM 0 HA ASN A 44 8.505 -3.736 -25.284 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.260 -4.932 -24.788 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.553 -4.547 -23.104 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.887 -1.437 -25.793 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.665 -2.931 -26.327 1.00 0.00 H new ATOM 717 N LEU A 45 8.980 -2.316 -23.156 1.00 0.00 N ATOM 718 CA LEU A 45 9.652 -1.575 -22.094 1.00 0.00 C ATOM 719 C LEU A 45 8.732 -0.508 -21.509 1.00 0.00 C ATOM 720 O LEU A 45 7.796 -0.055 -22.167 1.00 0.00 O ATOM 721 CB LEU A 45 10.930 -0.927 -22.627 1.00 0.00 C ATOM 722 CG LEU A 45 12.053 -0.721 -21.609 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.412 -0.882 -22.273 1.00 0.00 C ATOM 724 CD2 LEU A 45 11.936 0.648 -20.956 1.00 0.00 C ATOM 0 H LEU A 45 8.492 -1.731 -23.835 1.00 0.00 H new ATOM 0 HA LEU A 45 9.912 -2.278 -21.302 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.313 -1.542 -23.441 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.671 0.042 -23.054 1.00 0.00 H new ATOM 0 HG LEU A 45 11.958 -1.481 -20.834 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.198 -0.732 -21.533 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.495 -1.884 -22.693 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.517 -0.145 -23.069 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.743 0.777 -20.235 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.005 1.423 -21.720 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.976 0.726 -20.445 1.00 0.00 H new ATOM 736 N GLN A 46 9.008 -0.110 -20.272 1.00 0.00 N ATOM 737 CA GLN A 46 8.206 0.906 -19.600 1.00 0.00 C ATOM 738 C GLN A 46 9.096 1.964 -18.956 1.00 0.00 C ATOM 739 O GLN A 46 10.294 1.752 -18.769 1.00 0.00 O ATOM 740 CB GLN A 46 7.311 0.261 -18.540 1.00 0.00 C ATOM 741 CG GLN A 46 5.873 0.070 -18.993 1.00 0.00 C ATOM 742 CD GLN A 46 5.080 -0.823 -18.059 1.00 0.00 C ATOM 743 OE1 GLN A 46 4.478 -1.808 -18.486 1.00 0.00 O ATOM 744 NE2 GLN A 46 5.076 -0.483 -16.776 1.00 0.00 N ATOM 0 H GLN A 46 9.780 -0.475 -19.715 1.00 0.00 H new ATOM 0 HA GLN A 46 7.579 1.391 -20.348 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.728 -0.708 -18.265 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.321 0.879 -17.642 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.385 1.042 -19.061 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.866 -0.361 -19.994 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.589 0.342 -16.465 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.560 -1.047 -16.101 1.00 0.00 H new ATOM 753 N CYS A 47 8.502 3.104 -18.618 1.00 0.00 N ATOM 754 CA CYS A 47 9.240 4.196 -17.995 1.00 0.00 C ATOM 755 C CYS A 47 8.620 4.576 -16.653 1.00 0.00 C ATOM 756 O CYS A 47 7.456 4.973 -16.586 1.00 0.00 O ATOM 757 CB CYS A 47 9.267 5.414 -18.920 1.00 0.00 C ATOM 758 SG CYS A 47 10.933 5.879 -19.489 1.00 0.00 S ATOM 0 H CYS A 47 7.511 3.295 -18.765 1.00 0.00 H new ATOM 0 HA CYS A 47 10.261 3.858 -17.821 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.642 5.211 -19.789 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.823 6.262 -18.399 1.00 0.00 H new ATOM 763 N ILE A 48 9.405 4.451 -15.589 1.00 0.00 N ATOM 764 CA ILE A 48 8.934 4.782 -14.250 1.00 0.00 C ATOM 765 C ILE A 48 9.640 6.021 -13.709 1.00 0.00 C ATOM 766 O ILE A 48 10.825 6.234 -13.965 1.00 0.00 O ATOM 767 CB ILE A 48 9.151 3.613 -13.271 1.00 0.00 C ATOM 768 CG1 ILE A 48 8.634 2.307 -13.879 1.00 0.00 C ATOM 769 CG2 ILE A 48 8.459 3.896 -11.946 1.00 0.00 C ATOM 770 CD1 ILE A 48 8.598 1.157 -12.898 1.00 0.00 C ATOM 0 H ILE A 48 10.370 4.123 -15.628 1.00 0.00 H new ATOM 0 HA ILE A 48 7.866 4.982 -14.333 1.00 0.00 H new ATOM 0 HB ILE A 48 10.220 3.508 -13.086 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.630 2.471 -14.272 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.266 2.034 -14.724 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.622 3.061 -11.265 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.869 4.806 -11.508 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.390 4.024 -12.114 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.221 0.264 -13.397 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.604 0.966 -12.524 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.943 1.410 -12.065 1.00 0.00 H new ATOM 782 N CYS A 49 8.905 6.834 -12.959 1.00 0.00 N ATOM 783 CA CYS A 49 9.460 8.052 -12.380 1.00 0.00 C ATOM 784 C CYS A 49 10.005 7.789 -10.979 1.00 0.00 C ATOM 785 O CYS A 49 9.913 6.674 -10.465 1.00 0.00 O ATOM 786 CB CYS A 49 8.393 9.148 -12.326 1.00 0.00 C ATOM 787 SG CYS A 49 8.245 10.116 -13.862 1.00 0.00 S ATOM 0 H CYS A 49 7.923 6.672 -12.737 1.00 0.00 H new ATOM 0 HA CYS A 49 10.282 8.384 -13.014 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.429 8.691 -12.102 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.624 9.825 -11.503 1.00 0.00 H new ATOM 792 N ASP A 50 10.574 8.822 -10.368 1.00 0.00 N ATOM 793 CA ASP A 50 11.133 8.704 -9.027 1.00 0.00 C ATOM 794 C ASP A 50 10.805 9.937 -8.190 1.00 0.00 C ATOM 795 O ASP A 50 10.846 11.064 -8.685 1.00 0.00 O ATOM 796 CB ASP A 50 12.648 8.509 -9.098 1.00 0.00 C ATOM 797 CG ASP A 50 13.033 7.196 -9.751 1.00 0.00 C ATOM 798 OD1 ASP A 50 12.685 6.997 -10.934 1.00 0.00 O ATOM 799 OD2 ASP A 50 13.683 6.368 -9.080 1.00 0.00 O ATOM 0 H ASP A 50 10.660 9.751 -10.780 1.00 0.00 H new ATOM 0 HA ASP A 50 10.684 7.833 -8.549 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.092 9.333 -9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.064 8.546 -8.091 1.00 0.00 H new ATOM 804 N TYR A 51 10.479 9.715 -6.922 1.00 0.00 N ATOM 805 CA TYR A 51 10.141 10.808 -6.018 1.00 0.00 C ATOM 806 C TYR A 51 10.849 10.645 -4.676 1.00 0.00 C ATOM 807 O TYR A 51 10.367 11.114 -3.645 1.00 0.00 O ATOM 808 CB TYR A 51 8.628 10.871 -5.804 1.00 0.00 C ATOM 809 CG TYR A 51 7.866 11.377 -7.008 1.00 0.00 C ATOM 810 CD1 TYR A 51 7.766 12.738 -7.270 1.00 0.00 C ATOM 811 CD2 TYR A 51 7.248 10.494 -7.885 1.00 0.00 C ATOM 812 CE1 TYR A 51 7.071 13.205 -8.368 1.00 0.00 C ATOM 813 CE2 TYR A 51 6.552 10.952 -8.987 1.00 0.00 C ATOM 814 CZ TYR A 51 6.465 12.308 -9.224 1.00 0.00 C ATOM 815 OH TYR A 51 5.773 12.769 -10.320 1.00 0.00 O ATOM 0 H TYR A 51 10.442 8.789 -6.497 1.00 0.00 H new ATOM 0 HA TYR A 51 10.476 11.739 -6.474 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.264 9.876 -5.546 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.417 11.518 -4.953 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.240 13.443 -6.603 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.313 9.432 -7.702 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.002 14.266 -8.556 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.078 10.252 -9.659 1.00 0.00 H new ATOM 0 HH TYR A 51 6.078 13.673 -10.543 1.00 0.00 H new ATOM 825 N CYS A 52 11.997 9.976 -4.699 1.00 0.00 N ATOM 826 CA CYS A 52 12.774 9.749 -3.486 1.00 0.00 C ATOM 827 C CYS A 52 14.262 9.633 -3.807 1.00 0.00 C ATOM 828 O CYS A 52 14.666 9.736 -4.965 1.00 0.00 O ATOM 829 CB CYS A 52 12.294 8.481 -2.777 1.00 0.00 C ATOM 830 SG CYS A 52 10.830 8.729 -1.723 1.00 0.00 S ATOM 0 H CYS A 52 12.410 9.582 -5.544 1.00 0.00 H new ATOM 0 HA CYS A 52 12.628 10.604 -2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 52 12.065 7.723 -3.526 1.00 0.00 H new ATOM 0 HB3 CYS A 52 13.107 8.089 -2.165 1.00 0.00 H new ATOM 835 N GLU A 53 15.070 9.418 -2.774 1.00 0.00 N ATOM 836 CA GLU A 53 16.512 9.288 -2.946 1.00 0.00 C ATOM 837 C GLU A 53 17.102 8.346 -1.901 1.00 0.00 C ATOM 838 O GLU A 53 16.372 7.660 -1.185 1.00 0.00 O ATOM 839 CB GLU A 53 17.184 10.659 -2.850 1.00 0.00 C ATOM 840 CG GLU A 53 16.565 11.706 -3.761 1.00 0.00 C ATOM 841 CD GLU A 53 17.418 12.955 -3.878 1.00 0.00 C ATOM 842 OE1 GLU A 53 17.820 13.499 -2.828 1.00 0.00 O ATOM 843 OE2 GLU A 53 17.683 13.388 -5.019 1.00 0.00 O ATOM 0 H GLU A 53 14.751 9.330 -1.809 1.00 0.00 H new ATOM 0 HA GLU A 53 16.698 8.868 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.130 11.009 -1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 53 18.241 10.554 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.417 11.278 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.580 11.977 -3.380 1.00 0.00 H new ATOM 850 N TYR A 54 18.428 8.317 -1.821 1.00 0.00 N ATOM 851 CA TYR A 54 19.117 7.457 -0.867 1.00 0.00 C ATOM 852 C TYR A 54 18.657 6.009 -1.006 1.00 0.00 C ATOM 853 O TYR A 54 19.182 5.257 -1.825 1.00 0.00 O ATOM 854 CB TYR A 54 18.873 7.946 0.562 1.00 0.00 C ATOM 855 CG TYR A 54 19.752 7.272 1.591 1.00 0.00 C ATOM 856 CD1 TYR A 54 21.061 7.690 1.796 1.00 0.00 C ATOM 857 CD2 TYR A 54 19.273 6.219 2.359 1.00 0.00 C ATOM 858 CE1 TYR A 54 21.868 7.077 2.735 1.00 0.00 C ATOM 859 CE2 TYR A 54 20.072 5.600 3.302 1.00 0.00 C ATOM 860 CZ TYR A 54 21.368 6.032 3.485 1.00 0.00 C ATOM 861 OH TYR A 54 22.168 5.420 4.423 1.00 0.00 O ATOM 0 H TYR A 54 19.047 8.879 -2.405 1.00 0.00 H new ATOM 0 HA TYR A 54 20.185 7.502 -1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 54 19.041 9.022 0.602 1.00 0.00 H new ATOM 0 HB3 TYR A 54 17.828 7.776 0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 54 21.455 8.508 1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 54 18.258 5.878 2.217 1.00 0.00 H new ATOM 0 HE1 TYR A 54 22.884 7.413 2.881 1.00 0.00 H new ATOM 0 HE2 TYR A 54 19.683 4.783 3.892 1.00 0.00 H new ATOM 0 HH TYR A 54 21.665 4.704 4.865 1.00 0.00 H new TER 871 TYR A 54