USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 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 27 LYS NZ :NH3+ 146:sc= 0.511 (180deg=0.00554) USER MOD Set 1.2: A 31 HIS : no HD1:sc= -0.13 X(o=0.38,f=0.48) USER MOD Set 2.1: A 8 TYR OH : rot 15:sc= -0.895 USER MOD Set 2.2: A 11 TYR OH : rot 62:sc= -1.07 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.021) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0359 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) USER MOD Single : A 20 ASN : amide:sc= -0.861 K(o=-0.86,f=-0.0065) USER MOD Single : A 21 GLN : amide:sc= -1.6 K(o=-1.6,f=-5.4!) USER MOD Single : A 23 ASN : amide:sc= 0.17 K(o=0.17,f=-5.5!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0436 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= -0.15 K(o=-0.15,f=-5.1!) USER MOD Single : A 46 GLN : amide:sc= -1.11 K(o=-1.1,f=-6.7!) USER MOD Single : A 51 TYR OH : rot 19:sc= -0.734 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA GLN A 1 2.092 0.001 -1.242 1.00 0.00 C ATOM 3 C GLN A 1 2.259 1.419 -1.778 1.00 0.00 C ATOM 4 O GLN A 1 1.482 1.869 -2.621 1.00 0.00 O ATOM 5 CB GLN A 1 1.403 -0.876 -2.290 1.00 0.00 C ATOM 6 CG GLN A 1 2.058 -2.235 -2.471 1.00 0.00 C ATOM 7 CD GLN A 1 1.121 -3.258 -3.083 1.00 0.00 C ATOM 8 OE1 GLN A 1 1.198 -3.553 -4.275 1.00 0.00 O ATOM 9 NE2 GLN A 1 0.228 -3.805 -2.266 1.00 0.00 N ATOM 0 H1 GLN A 1 1.229 -0.976 0.345 1.00 0.00 H new ATOM 0 H2 GLN A 1 1.826 0.570 0.714 1.00 0.00 H new ATOM 0 H3 GLN A 1 0.387 0.405 -0.171 1.00 0.00 H new ATOM 0 HA GLN A 1 3.081 -0.406 -1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 1 0.361 -1.019 -2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 1 1.402 -0.352 -3.246 1.00 0.00 H new ATOM 0 HG2 GLN A 1 2.938 -2.128 -3.106 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.405 -2.599 -1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.200 -3.531 -1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -0.430 -4.499 -2.621 1.00 0.00 H new ATOM 18 N ASP A 2 3.275 2.117 -1.284 1.00 0.00 N ATOM 19 CA ASP A 2 3.543 3.485 -1.714 1.00 0.00 C ATOM 20 C ASP A 2 4.491 3.502 -2.910 1.00 0.00 C ATOM 21 O ASP A 2 4.124 3.940 -4.000 1.00 0.00 O ATOM 22 CB ASP A 2 4.139 4.296 -0.563 1.00 0.00 C ATOM 23 CG ASP A 2 3.703 5.748 -0.591 1.00 0.00 C ATOM 24 OD1 ASP A 2 2.640 6.059 -0.015 1.00 0.00 O ATOM 25 OD2 ASP A 2 4.425 6.573 -1.191 1.00 0.00 O ATOM 0 H ASP A 2 3.927 1.759 -0.586 1.00 0.00 H new ATOM 0 HA ASP A 2 2.598 3.937 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.841 3.849 0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.227 4.245 -0.612 1.00 0.00 H new ATOM 30 N LYS A 3 5.712 3.025 -2.697 1.00 0.00 N ATOM 31 CA LYS A 3 6.714 2.985 -3.756 1.00 0.00 C ATOM 32 C LYS A 3 7.061 4.393 -4.230 1.00 0.00 C ATOM 33 O LYS A 3 6.287 5.025 -4.949 1.00 0.00 O ATOM 34 CB LYS A 3 6.208 2.149 -4.933 1.00 0.00 C ATOM 35 CG LYS A 3 7.303 1.737 -5.902 1.00 0.00 C ATOM 36 CD LYS A 3 8.097 0.554 -5.375 1.00 0.00 C ATOM 37 CE LYS A 3 9.433 0.417 -6.089 1.00 0.00 C ATOM 38 NZ LYS A 3 10.549 0.167 -5.135 1.00 0.00 N ATOM 0 H LYS A 3 6.032 2.660 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 3 7.616 2.524 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.719 1.254 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.452 2.718 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.861 1.480 -6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.974 2.579 -6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.266 0.675 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.518 -0.361 -5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.379 -0.401 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.637 1.325 -6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.442 0.080 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.617 0.960 -4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.368 -0.713 -4.612 1.00 0.00 H new ATOM 52 N CYS A 4 8.229 4.878 -3.824 1.00 0.00 N ATOM 53 CA CYS A 4 8.680 6.210 -4.208 1.00 0.00 C ATOM 54 C CYS A 4 8.607 6.394 -5.721 1.00 0.00 C ATOM 55 O CYS A 4 8.361 7.496 -6.213 1.00 0.00 O ATOM 56 CB CYS A 4 10.111 6.446 -3.722 1.00 0.00 C ATOM 57 SG CYS A 4 10.232 6.930 -1.970 1.00 0.00 S ATOM 0 H CYS A 4 8.881 4.368 -3.228 1.00 0.00 H new ATOM 0 HA CYS A 4 8.020 6.940 -3.739 1.00 0.00 H new ATOM 0 HB2 CYS A 4 10.691 5.536 -3.877 1.00 0.00 H new ATOM 0 HB3 CYS A 4 10.568 7.223 -4.335 1.00 0.00 H new ATOM 62 N LYS A 5 8.822 5.307 -6.454 1.00 0.00 N ATOM 63 CA LYS A 5 8.779 5.346 -7.911 1.00 0.00 C ATOM 64 C LYS A 5 7.375 5.042 -8.423 1.00 0.00 C ATOM 65 O LYS A 5 6.670 4.198 -7.869 1.00 0.00 O ATOM 66 CB LYS A 5 9.775 4.343 -8.498 1.00 0.00 C ATOM 67 CG LYS A 5 11.227 4.742 -8.302 1.00 0.00 C ATOM 68 CD LYS A 5 12.136 4.053 -9.307 1.00 0.00 C ATOM 69 CE LYS A 5 13.323 3.393 -8.624 1.00 0.00 C ATOM 70 NZ LYS A 5 14.370 2.987 -9.602 1.00 0.00 N ATOM 0 H LYS A 5 9.028 4.388 -6.063 1.00 0.00 H new ATOM 0 HA LYS A 5 9.053 6.351 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.610 3.368 -8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.579 4.230 -9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.325 5.823 -8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.542 4.486 -7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.569 3.303 -9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.493 4.781 -10.035 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.753 4.082 -7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.983 2.517 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.162 2.541 -9.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.967 2.310 -10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.713 3.826 -10.112 1.00 0.00 H new ATOM 84 N LYS A 6 6.974 5.735 -9.484 1.00 0.00 N ATOM 85 CA LYS A 6 5.655 5.538 -10.073 1.00 0.00 C ATOM 86 C LYS A 6 5.762 5.278 -11.572 1.00 0.00 C ATOM 87 O LYS A 6 6.540 5.927 -12.271 1.00 0.00 O ATOM 88 CB LYS A 6 4.773 6.762 -9.819 1.00 0.00 C ATOM 89 CG LYS A 6 3.945 6.662 -8.549 1.00 0.00 C ATOM 90 CD LYS A 6 4.410 7.658 -7.500 1.00 0.00 C ATOM 91 CE LYS A 6 3.258 8.123 -6.623 1.00 0.00 C ATOM 92 NZ LYS A 6 2.965 9.570 -6.813 1.00 0.00 N ATOM 0 H LYS A 6 7.544 6.438 -9.953 1.00 0.00 H new ATOM 0 HA LYS A 6 5.201 4.666 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.404 7.649 -9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.104 6.900 -10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.896 6.842 -8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.014 5.651 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.180 7.201 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.866 8.518 -7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.367 7.539 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.500 7.936 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.174 9.848 -6.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.807 10.130 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.709 9.745 -7.806 1.00 0.00 H new ATOM 106 N VAL A 7 4.974 4.325 -12.060 1.00 0.00 N ATOM 107 CA VAL A 7 4.978 3.981 -13.477 1.00 0.00 C ATOM 108 C VAL A 7 4.204 5.009 -14.295 1.00 0.00 C ATOM 109 O VAL A 7 3.125 5.449 -13.897 1.00 0.00 O ATOM 110 CB VAL A 7 4.370 2.586 -13.718 1.00 0.00 C ATOM 111 CG1 VAL A 7 2.971 2.504 -13.127 1.00 0.00 C ATOM 112 CG2 VAL A 7 4.350 2.264 -15.205 1.00 0.00 C ATOM 0 H VAL A 7 4.325 3.778 -11.495 1.00 0.00 H new ATOM 0 HA VAL A 7 6.020 3.976 -13.798 1.00 0.00 H new ATOM 0 HB VAL A 7 4.993 1.845 -13.217 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.558 1.512 -13.307 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.018 2.688 -12.054 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.333 3.253 -13.596 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.917 1.275 -15.357 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.750 3.007 -15.730 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.368 2.279 -15.594 1.00 0.00 H new ATOM 122 N TYR A 8 4.762 5.387 -15.439 1.00 0.00 N ATOM 123 CA TYR A 8 4.125 6.366 -16.313 1.00 0.00 C ATOM 124 C TYR A 8 2.984 5.730 -17.102 1.00 0.00 C ATOM 125 O TYR A 8 3.088 4.591 -17.555 1.00 0.00 O ATOM 126 CB TYR A 8 5.152 6.967 -17.275 1.00 0.00 C ATOM 127 CG TYR A 8 5.067 8.472 -17.387 1.00 0.00 C ATOM 128 CD1 TYR A 8 3.900 9.092 -17.816 1.00 0.00 C ATOM 129 CD2 TYR A 8 6.155 9.274 -17.064 1.00 0.00 C ATOM 130 CE1 TYR A 8 3.819 10.467 -17.921 1.00 0.00 C ATOM 131 CE2 TYR A 8 6.082 10.650 -17.165 1.00 0.00 C ATOM 132 CZ TYR A 8 4.912 11.242 -17.594 1.00 0.00 C ATOM 133 OH TYR A 8 4.835 12.612 -17.696 1.00 0.00 O ATOM 0 H TYR A 8 5.654 5.031 -15.783 1.00 0.00 H new ATOM 0 HA TYR A 8 3.714 7.160 -15.689 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.153 6.692 -16.943 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.012 6.529 -18.263 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.042 8.489 -18.072 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.073 8.814 -16.728 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.905 10.933 -18.257 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.936 11.259 -16.909 1.00 0.00 H new ATOM 0 HH TYR A 8 3.896 12.882 -17.777 1.00 0.00 H new ATOM 143 N GLU A 9 1.896 6.477 -17.262 1.00 0.00 N ATOM 144 CA GLU A 9 0.735 5.987 -17.996 1.00 0.00 C ATOM 145 C GLU A 9 1.160 5.304 -19.292 1.00 0.00 C ATOM 146 O GLU A 9 0.811 4.151 -19.541 1.00 0.00 O ATOM 147 CB GLU A 9 -0.224 7.139 -18.304 1.00 0.00 C ATOM 148 CG GLU A 9 -0.690 7.890 -17.068 1.00 0.00 C ATOM 149 CD GLU A 9 -1.679 8.992 -17.394 1.00 0.00 C ATOM 150 OE1 GLU A 9 -2.069 9.111 -18.574 1.00 0.00 O ATOM 151 OE2 GLU A 9 -2.064 9.737 -16.467 1.00 0.00 O ATOM 0 H GLU A 9 1.794 7.423 -16.894 1.00 0.00 H new ATOM 0 HA GLU A 9 0.224 5.255 -17.371 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.267 7.839 -18.980 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.094 6.746 -18.829 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.150 7.188 -16.373 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.174 8.320 -16.562 1.00 0.00 H new ATOM 158 N ASN A 10 1.914 6.025 -20.115 1.00 0.00 N ATOM 159 CA ASN A 10 2.386 5.490 -21.387 1.00 0.00 C ATOM 160 C ASN A 10 3.534 6.330 -21.939 1.00 0.00 C ATOM 161 O ASN A 10 3.357 7.504 -22.264 1.00 0.00 O ATOM 162 CB ASN A 10 1.240 5.442 -22.400 1.00 0.00 C ATOM 163 CG ASN A 10 0.331 6.652 -22.301 1.00 0.00 C ATOM 164 OD1 ASN A 10 0.546 7.661 -22.972 1.00 0.00 O ATOM 165 ND2 ASN A 10 -0.693 6.554 -21.461 1.00 0.00 N ATOM 0 H ASN A 10 2.211 6.982 -19.924 1.00 0.00 H new ATOM 0 HA ASN A 10 2.752 4.478 -21.214 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.651 5.381 -23.408 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.654 4.537 -22.240 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.340 7.335 -21.352 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.833 5.698 -20.925 1.00 0.00 H new ATOM 172 N TYR A 11 4.709 5.720 -22.042 1.00 0.00 N ATOM 173 CA TYR A 11 5.887 6.411 -22.553 1.00 0.00 C ATOM 174 C TYR A 11 6.486 5.663 -23.739 1.00 0.00 C ATOM 175 O TYR A 11 6.281 4.462 -23.917 1.00 0.00 O ATOM 176 CB TYR A 11 6.934 6.562 -21.449 1.00 0.00 C ATOM 177 CG TYR A 11 7.098 7.984 -20.960 1.00 0.00 C ATOM 178 CD1 TYR A 11 5.993 8.801 -20.755 1.00 0.00 C ATOM 179 CD2 TYR A 11 8.358 8.511 -20.704 1.00 0.00 C ATOM 180 CE1 TYR A 11 6.137 10.100 -20.309 1.00 0.00 C ATOM 181 CE2 TYR A 11 8.512 9.808 -20.256 1.00 0.00 C ATOM 182 CZ TYR A 11 7.399 10.599 -20.061 1.00 0.00 C ATOM 183 OH TYR A 11 7.548 11.893 -19.617 1.00 0.00 O ATOM 0 H TYR A 11 4.871 4.748 -21.778 1.00 0.00 H new ATOM 0 HA TYR A 11 5.579 7.401 -22.890 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.657 5.927 -20.608 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.894 6.201 -21.818 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.004 8.413 -20.948 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.232 7.896 -20.858 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.267 10.721 -20.155 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.499 10.201 -20.059 1.00 0.00 H new ATOM 0 HH TYR A 11 7.103 11.995 -18.750 1.00 0.00 H new ATOM 193 N PRO A 12 7.248 6.388 -24.572 1.00 0.00 N ATOM 194 CA PRO A 12 7.895 5.815 -25.756 1.00 0.00 C ATOM 195 C PRO A 12 9.028 4.862 -25.392 1.00 0.00 C ATOM 196 O PRO A 12 9.953 5.229 -24.667 1.00 0.00 O ATOM 197 CB PRO A 12 8.441 7.041 -26.490 1.00 0.00 C ATOM 198 CG PRO A 12 8.627 8.068 -25.427 1.00 0.00 C ATOM 199 CD PRO A 12 7.536 7.825 -24.421 1.00 0.00 C ATOM 0 HA PRO A 12 7.203 5.219 -26.351 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.382 6.815 -26.991 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.746 7.386 -27.256 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.610 7.978 -24.966 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.560 9.074 -25.840 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.861 8.066 -23.409 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.656 8.435 -24.627 1.00 0.00 H new ATOM 207 N VAL A 13 8.951 3.636 -25.901 1.00 0.00 N ATOM 208 CA VAL A 13 9.972 2.631 -25.631 1.00 0.00 C ATOM 209 C VAL A 13 11.299 3.008 -26.280 1.00 0.00 C ATOM 210 O VAL A 13 12.358 2.900 -25.660 1.00 0.00 O ATOM 211 CB VAL A 13 9.541 1.243 -26.139 1.00 0.00 C ATOM 212 CG1 VAL A 13 10.648 0.224 -25.914 1.00 0.00 C ATOM 213 CG2 VAL A 13 8.254 0.803 -25.458 1.00 0.00 C ATOM 0 H VAL A 13 8.192 3.315 -26.502 1.00 0.00 H new ATOM 0 HA VAL A 13 10.098 2.591 -24.549 1.00 0.00 H new ATOM 0 HB VAL A 13 9.354 1.310 -27.211 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.325 -0.751 -26.279 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.543 0.535 -26.452 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.870 0.157 -24.849 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.964 -0.180 -25.829 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.411 0.752 -24.381 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.463 1.521 -25.676 1.00 0.00 H new ATOM 223 N SER A 14 11.235 3.451 -27.531 1.00 0.00 N ATOM 224 CA SER A 14 12.433 3.841 -28.266 1.00 0.00 C ATOM 225 C SER A 14 13.196 4.932 -27.521 1.00 0.00 C ATOM 226 O SER A 14 14.392 4.801 -27.259 1.00 0.00 O ATOM 227 CB SER A 14 12.060 4.330 -29.667 1.00 0.00 C ATOM 228 OG SER A 14 10.825 5.024 -29.654 1.00 0.00 O ATOM 0 H SER A 14 10.367 3.549 -28.057 1.00 0.00 H new ATOM 0 HA SER A 14 13.077 2.966 -28.353 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.844 4.984 -30.048 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.996 3.480 -30.347 1.00 0.00 H new ATOM 0 HG SER A 14 10.611 5.327 -30.561 1.00 0.00 H new ATOM 234 N LYS A 15 12.496 6.009 -27.182 1.00 0.00 N ATOM 235 CA LYS A 15 13.105 7.124 -26.466 1.00 0.00 C ATOM 236 C LYS A 15 13.539 6.700 -25.067 1.00 0.00 C ATOM 237 O LYS A 15 14.400 7.332 -24.454 1.00 0.00 O ATOM 238 CB LYS A 15 12.124 8.295 -26.375 1.00 0.00 C ATOM 239 CG LYS A 15 12.091 9.161 -27.622 1.00 0.00 C ATOM 240 CD LYS A 15 11.175 10.360 -27.445 1.00 0.00 C ATOM 241 CE LYS A 15 11.535 11.483 -28.406 1.00 0.00 C ATOM 242 NZ LYS A 15 10.715 12.702 -28.167 1.00 0.00 N ATOM 0 H LYS A 15 11.506 6.134 -27.392 1.00 0.00 H new ATOM 0 HA LYS A 15 13.988 7.441 -27.021 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.123 7.906 -26.187 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.391 8.915 -25.519 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.099 9.504 -27.855 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.753 8.566 -28.470 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.141 10.057 -27.609 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.242 10.722 -26.419 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.591 11.729 -28.298 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.390 11.144 -29.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.991 13.444 -28.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.708 12.474 -28.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.872 13.041 -27.197 1.00 0.00 H new ATOM 256 N CYS A 16 12.938 5.625 -24.567 1.00 0.00 N ATOM 257 CA CYS A 16 13.263 5.115 -23.240 1.00 0.00 C ATOM 258 C CYS A 16 14.709 4.632 -23.182 1.00 0.00 C ATOM 259 O CYS A 16 15.337 4.649 -22.124 1.00 0.00 O ATOM 260 CB CYS A 16 12.316 3.974 -22.864 1.00 0.00 C ATOM 261 SG CYS A 16 11.607 4.116 -21.192 1.00 0.00 S ATOM 0 H CYS A 16 12.223 5.090 -25.061 1.00 0.00 H new ATOM 0 HA CYS A 16 13.142 5.929 -22.525 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.503 3.937 -23.590 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.855 3.029 -22.940 1.00 0.00 H new ATOM 266 N GLN A 17 15.229 4.200 -24.326 1.00 0.00 N ATOM 267 CA GLN A 17 16.601 3.712 -24.405 1.00 0.00 C ATOM 268 C GLN A 17 17.576 4.732 -23.827 1.00 0.00 C ATOM 269 O GLN A 17 18.660 4.376 -23.362 1.00 0.00 O ATOM 270 CB GLN A 17 16.971 3.401 -25.857 1.00 0.00 C ATOM 271 CG GLN A 17 16.671 1.968 -26.268 1.00 0.00 C ATOM 272 CD GLN A 17 17.573 1.481 -27.384 1.00 0.00 C ATOM 273 OE1 GLN A 17 18.390 0.580 -27.189 1.00 0.00 O ATOM 274 NE2 GLN A 17 17.429 2.074 -28.563 1.00 0.00 N ATOM 0 H GLN A 17 14.722 4.178 -25.211 1.00 0.00 H new ATOM 0 HA GLN A 17 16.669 2.797 -23.816 1.00 0.00 H new ATOM 0 HB2 GLN A 17 16.428 4.080 -26.515 1.00 0.00 H new ATOM 0 HB3 GLN A 17 18.033 3.597 -26.003 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.784 1.315 -25.403 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.632 1.896 -26.588 1.00 0.00 H new ATOM 0 HE21 GLN A 17 16.739 2.816 -28.680 1.00 0.00 H new ATOM 0 HE22 GLN A 17 18.008 1.787 -29.352 1.00 0.00 H new ATOM 283 N LEU A 18 17.185 6.001 -23.858 1.00 0.00 N ATOM 284 CA LEU A 18 18.025 7.073 -23.337 1.00 0.00 C ATOM 285 C LEU A 18 17.568 7.496 -21.945 1.00 0.00 C ATOM 286 O LEU A 18 16.464 8.014 -21.774 1.00 0.00 O ATOM 287 CB LEU A 18 17.997 8.276 -24.282 1.00 0.00 C ATOM 288 CG LEU A 18 18.312 7.983 -25.750 1.00 0.00 C ATOM 289 CD1 LEU A 18 18.220 9.255 -26.579 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.691 7.355 -25.884 1.00 0.00 C ATOM 0 H LEU A 18 16.291 6.313 -24.239 1.00 0.00 H new ATOM 0 HA LEU A 18 19.046 6.698 -23.266 1.00 0.00 H new ATOM 0 HB2 LEU A 18 17.009 8.733 -24.227 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.711 9.015 -23.918 1.00 0.00 H new ATOM 0 HG LEU A 18 17.574 7.274 -26.126 1.00 0.00 H new ATOM 0 HD11 LEU A 18 18.447 9.028 -27.621 1.00 0.00 H new ATOM 0 HD12 LEU A 18 17.212 9.663 -26.508 1.00 0.00 H new ATOM 0 HD13 LEU A 18 18.935 9.987 -26.203 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.898 7.153 -26.935 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.442 8.040 -25.491 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.722 6.421 -25.322 1.00 0.00 H new ATOM 302 N ALA A 19 18.424 7.273 -20.953 1.00 0.00 N ATOM 303 CA ALA A 19 18.109 7.634 -19.576 1.00 0.00 C ATOM 304 C ALA A 19 17.887 9.136 -19.440 1.00 0.00 C ATOM 305 O ALA A 19 17.074 9.582 -18.631 1.00 0.00 O ATOM 306 CB ALA A 19 19.220 7.177 -18.643 1.00 0.00 C ATOM 0 H ALA A 19 19.341 6.844 -21.077 1.00 0.00 H new ATOM 0 HA ALA A 19 17.184 7.129 -19.297 1.00 0.00 H new ATOM 0 HB1 ALA A 19 18.971 7.453 -17.618 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.330 6.095 -18.711 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.156 7.655 -18.931 1.00 0.00 H new ATOM 312 N ASN A 20 18.615 9.912 -20.237 1.00 0.00 N ATOM 313 CA ASN A 20 18.497 11.366 -20.204 1.00 0.00 C ATOM 314 C ASN A 20 17.106 11.809 -20.646 1.00 0.00 C ATOM 315 O ASN A 20 16.670 12.918 -20.336 1.00 0.00 O ATOM 316 CB ASN A 20 19.558 12.004 -21.103 1.00 0.00 C ATOM 317 CG ASN A 20 20.881 11.264 -21.052 1.00 0.00 C ATOM 318 OD1 ASN A 20 21.734 11.552 -20.213 1.00 0.00 O ATOM 319 ND2 ASN A 20 21.056 10.304 -21.953 1.00 0.00 N ATOM 0 H ASN A 20 19.292 9.559 -20.913 1.00 0.00 H new ATOM 0 HA ASN A 20 18.654 11.696 -19.177 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.195 12.024 -22.131 1.00 0.00 H new ATOM 0 HB3 ASN A 20 19.712 13.040 -20.800 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.926 9.771 -21.968 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.321 10.100 -22.630 1.00 0.00 H new ATOM 326 N GLN A 21 16.415 10.935 -21.370 1.00 0.00 N ATOM 327 CA GLN A 21 15.073 11.238 -21.855 1.00 0.00 C ATOM 328 C GLN A 21 14.032 10.984 -20.769 1.00 0.00 C ATOM 329 O GLN A 21 13.302 11.891 -20.369 1.00 0.00 O ATOM 330 CB GLN A 21 14.753 10.396 -23.091 1.00 0.00 C ATOM 331 CG GLN A 21 15.097 11.085 -24.402 1.00 0.00 C ATOM 332 CD GLN A 21 13.914 11.814 -25.007 1.00 0.00 C ATOM 333 OE1 GLN A 21 13.479 11.501 -26.116 1.00 0.00 O ATOM 334 NE2 GLN A 21 13.385 12.791 -24.280 1.00 0.00 N ATOM 0 H GLN A 21 16.761 10.012 -21.634 1.00 0.00 H new ATOM 0 HA GLN A 21 15.041 12.294 -22.125 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.299 9.455 -23.031 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.691 10.149 -23.087 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.908 11.794 -24.234 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.464 10.344 -25.112 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.778 13.017 -23.366 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.586 13.316 -24.635 1.00 0.00 H new ATOM 343 N CYS A 22 13.969 9.744 -20.295 1.00 0.00 N ATOM 344 CA CYS A 22 13.017 9.369 -19.257 1.00 0.00 C ATOM 345 C CYS A 22 13.106 10.322 -18.068 1.00 0.00 C ATOM 346 O CYS A 22 12.089 10.770 -17.541 1.00 0.00 O ATOM 347 CB CYS A 22 13.274 7.933 -18.794 1.00 0.00 C ATOM 348 SG CYS A 22 11.783 7.058 -18.221 1.00 0.00 S ATOM 0 H CYS A 22 14.567 8.981 -20.614 1.00 0.00 H new ATOM 0 HA CYS A 22 12.014 9.434 -19.678 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.718 7.372 -19.616 1.00 0.00 H new ATOM 0 HB3 CYS A 22 14.006 7.949 -17.986 1.00 0.00 H new ATOM 353 N ASN A 23 14.331 10.627 -17.652 1.00 0.00 N ATOM 354 CA ASN A 23 14.554 11.526 -16.525 1.00 0.00 C ATOM 355 C ASN A 23 14.100 12.943 -16.863 1.00 0.00 C ATOM 356 O ASN A 23 13.293 13.535 -16.145 1.00 0.00 O ATOM 357 CB ASN A 23 16.033 11.532 -16.135 1.00 0.00 C ATOM 358 CG ASN A 23 16.260 12.066 -14.734 1.00 0.00 C ATOM 359 OD1 ASN A 23 16.157 11.330 -13.753 1.00 0.00 O ATOM 360 ND2 ASN A 23 16.569 13.354 -14.635 1.00 0.00 N ATOM 0 H ASN A 23 15.184 10.265 -18.078 1.00 0.00 H new ATOM 0 HA ASN A 23 13.965 11.165 -15.682 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.428 10.518 -16.203 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.591 12.140 -16.847 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.732 13.770 -13.718 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.644 13.927 -15.476 1.00 0.00 H new ATOM 367 N TYR A 24 14.623 13.480 -17.959 1.00 0.00 N ATOM 368 CA TYR A 24 14.274 14.829 -18.391 1.00 0.00 C ATOM 369 C TYR A 24 12.761 14.988 -18.507 1.00 0.00 C ATOM 370 O TYR A 24 12.189 15.965 -18.022 1.00 0.00 O ATOM 371 CB TYR A 24 14.936 15.144 -19.733 1.00 0.00 C ATOM 372 CG TYR A 24 14.681 16.554 -20.217 1.00 0.00 C ATOM 373 CD1 TYR A 24 15.139 17.651 -19.498 1.00 0.00 C ATOM 374 CD2 TYR A 24 13.982 16.788 -21.395 1.00 0.00 C ATOM 375 CE1 TYR A 24 14.907 18.940 -19.937 1.00 0.00 C ATOM 376 CE2 TYR A 24 13.747 18.074 -21.842 1.00 0.00 C ATOM 377 CZ TYR A 24 14.211 19.146 -21.109 1.00 0.00 C ATOM 378 OH TYR A 24 13.979 20.429 -21.550 1.00 0.00 O ATOM 0 H TYR A 24 15.290 13.002 -18.565 1.00 0.00 H new ATOM 0 HA TYR A 24 14.639 15.530 -17.641 1.00 0.00 H new ATOM 0 HB2 TYR A 24 16.011 14.988 -19.644 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.573 14.440 -20.482 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.686 17.493 -18.580 1.00 0.00 H new ATOM 0 HD2 TYR A 24 13.616 15.951 -21.971 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.269 19.782 -19.365 1.00 0.00 H new ATOM 0 HE2 TYR A 24 13.203 18.239 -22.760 1.00 0.00 H new ATOM 0 HH TYR A 24 13.477 20.400 -22.391 1.00 0.00 H new ATOM 388 N ASP A 25 12.119 14.022 -19.154 1.00 0.00 N ATOM 389 CA ASP A 25 10.672 14.053 -19.334 1.00 0.00 C ATOM 390 C ASP A 25 9.955 13.892 -17.997 1.00 0.00 C ATOM 391 O ASP A 25 9.080 14.687 -17.650 1.00 0.00 O ATOM 392 CB ASP A 25 10.233 12.950 -20.298 1.00 0.00 C ATOM 393 CG ASP A 25 9.180 13.425 -21.280 1.00 0.00 C ATOM 394 OD1 ASP A 25 8.343 14.265 -20.892 1.00 0.00 O ATOM 395 OD2 ASP A 25 9.193 12.955 -22.438 1.00 0.00 O ATOM 0 H ASP A 25 12.577 13.208 -19.563 1.00 0.00 H new ATOM 0 HA ASP A 25 10.404 15.022 -19.756 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.101 12.586 -20.848 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.840 12.108 -19.728 1.00 0.00 H new ATOM 400 N CYS A 26 10.330 12.859 -17.251 1.00 0.00 N ATOM 401 CA CYS A 26 9.722 12.592 -15.953 1.00 0.00 C ATOM 402 C CYS A 26 9.818 13.815 -15.046 1.00 0.00 C ATOM 403 O CYS A 26 8.854 14.179 -14.372 1.00 0.00 O ATOM 404 CB CYS A 26 10.400 11.394 -15.285 1.00 0.00 C ATOM 405 SG CYS A 26 9.907 11.132 -13.551 1.00 0.00 S ATOM 0 H CYS A 26 11.053 12.192 -17.523 1.00 0.00 H new ATOM 0 HA CYS A 26 8.669 12.362 -16.114 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.170 10.495 -15.857 1.00 0.00 H new ATOM 0 HB3 CYS A 26 11.480 11.531 -15.328 1.00 0.00 H new ATOM 410 N LYS A 27 10.987 14.446 -15.034 1.00 0.00 N ATOM 411 CA LYS A 27 11.210 15.629 -14.212 1.00 0.00 C ATOM 412 C LYS A 27 10.631 16.873 -14.879 1.00 0.00 C ATOM 413 O LYS A 27 10.706 17.974 -14.333 1.00 0.00 O ATOM 414 CB LYS A 27 12.707 15.824 -13.958 1.00 0.00 C ATOM 415 CG LYS A 27 13.011 16.739 -12.784 1.00 0.00 C ATOM 416 CD LYS A 27 14.089 17.752 -13.131 1.00 0.00 C ATOM 417 CE LYS A 27 13.578 18.795 -14.113 1.00 0.00 C ATOM 418 NZ LYS A 27 12.706 19.802 -13.448 1.00 0.00 N ATOM 0 H LYS A 27 11.795 14.157 -15.585 1.00 0.00 H new ATOM 0 HA LYS A 27 10.702 15.479 -13.259 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.166 14.852 -13.778 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.169 16.234 -14.856 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.103 17.261 -12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.332 16.142 -11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.433 18.245 -12.222 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.949 17.237 -13.560 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.424 19.299 -14.580 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.021 18.302 -14.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.838 20.729 -13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.711 19.512 -13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.959 19.869 -12.441 1.00 0.00 H new ATOM 432 N LEU A 28 10.053 16.689 -16.061 1.00 0.00 N ATOM 433 CA LEU A 28 9.459 17.796 -16.802 1.00 0.00 C ATOM 434 C LEU A 28 7.941 17.797 -16.657 1.00 0.00 C ATOM 435 O LEU A 28 7.343 18.810 -16.293 1.00 0.00 O ATOM 436 CB LEU A 28 9.841 17.709 -18.281 1.00 0.00 C ATOM 437 CG LEU A 28 9.187 18.736 -19.205 1.00 0.00 C ATOM 438 CD1 LEU A 28 9.624 20.144 -18.833 1.00 0.00 C ATOM 439 CD2 LEU A 28 9.525 18.438 -20.659 1.00 0.00 C ATOM 0 H LEU A 28 9.983 15.784 -16.527 1.00 0.00 H new ATOM 0 HA LEU A 28 9.846 18.727 -16.387 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.923 17.813 -18.363 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.589 16.712 -18.643 1.00 0.00 H new ATOM 0 HG LEU A 28 8.106 18.669 -19.083 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.148 20.861 -19.502 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.331 20.356 -17.805 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.707 20.225 -18.925 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.051 19.179 -21.302 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.606 18.476 -20.797 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.161 17.445 -20.921 1.00 0.00 H new ATOM 451 N ASP A 29 7.324 16.656 -16.941 1.00 0.00 N ATOM 452 CA ASP A 29 5.876 16.523 -16.838 1.00 0.00 C ATOM 453 C ASP A 29 5.462 16.166 -15.414 1.00 0.00 C ATOM 454 O ASP A 29 4.567 16.788 -14.841 1.00 0.00 O ATOM 455 CB ASP A 29 5.369 15.458 -17.812 1.00 0.00 C ATOM 456 CG ASP A 29 4.859 16.056 -19.109 1.00 0.00 C ATOM 457 OD1 ASP A 29 5.677 16.263 -20.029 1.00 0.00 O ATOM 458 OD2 ASP A 29 3.641 16.315 -19.203 1.00 0.00 O ATOM 0 H ASP A 29 7.804 15.809 -17.245 1.00 0.00 H new ATOM 0 HA ASP A 29 5.429 17.483 -17.097 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.174 14.757 -18.030 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.569 14.888 -17.339 1.00 0.00 H new ATOM 463 N LYS A 30 6.118 15.158 -14.848 1.00 0.00 N ATOM 464 CA LYS A 30 5.820 14.717 -13.491 1.00 0.00 C ATOM 465 C LYS A 30 6.614 15.525 -12.469 1.00 0.00 C ATOM 466 O LYS A 30 6.287 15.536 -11.282 1.00 0.00 O ATOM 467 CB LYS A 30 6.137 13.228 -13.336 1.00 0.00 C ATOM 468 CG LYS A 30 5.562 12.365 -14.446 1.00 0.00 C ATOM 469 CD LYS A 30 4.426 11.491 -13.941 1.00 0.00 C ATOM 470 CE LYS A 30 4.945 10.196 -13.336 1.00 0.00 C ATOM 471 NZ LYS A 30 3.893 9.487 -12.557 1.00 0.00 N ATOM 0 H LYS A 30 6.860 14.631 -15.309 1.00 0.00 H new ATOM 0 HA LYS A 30 4.757 14.878 -13.309 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.219 13.096 -13.308 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.749 12.880 -12.379 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.201 13.002 -15.253 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.348 11.736 -14.864 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.850 12.037 -13.194 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.748 11.263 -14.763 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.310 9.545 -14.130 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.793 10.413 -12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.286 8.609 -12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.563 10.098 -11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.094 9.257 -13.182 1.00 0.00 H new ATOM 485 N HIS A 31 7.658 16.201 -12.938 1.00 0.00 N ATOM 486 CA HIS A 31 8.497 17.014 -12.065 1.00 0.00 C ATOM 487 C HIS A 31 9.066 16.176 -10.924 1.00 0.00 C ATOM 488 O HIS A 31 9.319 16.686 -9.833 1.00 0.00 O ATOM 489 CB HIS A 31 7.696 18.188 -11.501 1.00 0.00 C ATOM 490 CG HIS A 31 8.484 19.457 -11.399 1.00 0.00 C ATOM 491 ND1 HIS A 31 7.899 20.697 -11.254 1.00 0.00 N ATOM 492 CD2 HIS A 31 9.820 19.674 -11.420 1.00 0.00 C ATOM 493 CE1 HIS A 31 8.840 21.622 -11.193 1.00 0.00 C ATOM 494 NE2 HIS A 31 10.015 21.027 -11.291 1.00 0.00 N ATOM 0 H HIS A 31 7.943 16.202 -13.917 1.00 0.00 H new ATOM 0 HA HIS A 31 9.326 17.401 -12.657 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.825 18.361 -12.134 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.323 17.921 -10.512 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.589 18.923 -11.520 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.676 22.684 -11.082 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.920 21.496 -11.274 1.00 0.00 H new ATOM 502 N ALA A 32 9.262 14.888 -11.183 1.00 0.00 N ATOM 503 CA ALA A 32 9.802 13.980 -10.178 1.00 0.00 C ATOM 504 C ALA A 32 11.307 14.165 -10.023 1.00 0.00 C ATOM 505 O ALA A 32 11.985 14.620 -10.944 1.00 0.00 O ATOM 506 CB ALA A 32 9.481 12.538 -10.543 1.00 0.00 C ATOM 0 H ALA A 32 9.055 14.449 -12.080 1.00 0.00 H new ATOM 0 HA ALA A 32 9.333 14.215 -9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.890 11.871 -9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.400 12.408 -10.596 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.923 12.301 -11.511 1.00 0.00 H new ATOM 512 N ARG A 33 11.824 13.811 -8.851 1.00 0.00 N ATOM 513 CA ARG A 33 13.250 13.941 -8.574 1.00 0.00 C ATOM 514 C ARG A 33 14.080 13.327 -9.697 1.00 0.00 C ATOM 515 O ARG A 33 15.064 13.913 -10.148 1.00 0.00 O ATOM 516 CB ARG A 33 13.596 13.270 -7.244 1.00 0.00 C ATOM 517 CG ARG A 33 13.217 14.097 -6.027 1.00 0.00 C ATOM 518 CD ARG A 33 14.053 13.720 -4.814 1.00 0.00 C ATOM 519 NE ARG A 33 13.222 13.391 -3.658 1.00 0.00 N ATOM 520 CZ ARG A 33 12.490 14.284 -3.001 1.00 0.00 C ATOM 521 NH1 ARG A 33 12.485 15.553 -3.385 1.00 0.00 N ATOM 522 NH2 ARG A 33 11.761 13.908 -1.959 1.00 0.00 N ATOM 0 H ARG A 33 11.277 13.432 -8.078 1.00 0.00 H new ATOM 0 HA ARG A 33 13.487 15.003 -8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.089 12.307 -7.190 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.667 13.068 -7.216 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.353 15.156 -6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.161 13.951 -5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.686 12.867 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.717 14.546 -4.560 1.00 0.00 H new ATOM 0 HE ARG A 33 13.203 12.423 -3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.044 15.846 -4.186 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.922 16.237 -2.879 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.762 12.932 -1.661 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.199 14.594 -1.455 1.00 0.00 H new ATOM 536 N SER A 34 13.676 12.142 -10.144 1.00 0.00 N ATOM 537 CA SER A 34 14.384 11.445 -11.212 1.00 0.00 C ATOM 538 C SER A 34 13.438 10.533 -11.987 1.00 0.00 C ATOM 539 O SER A 34 12.237 10.501 -11.726 1.00 0.00 O ATOM 540 CB SER A 34 15.542 10.627 -10.636 1.00 0.00 C ATOM 541 OG SER A 34 15.515 10.634 -9.219 1.00 0.00 O ATOM 0 H SER A 34 12.862 11.644 -9.783 1.00 0.00 H new ATOM 0 HA SER A 34 14.782 12.193 -11.898 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.483 9.601 -10.999 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.490 11.035 -10.987 1.00 0.00 H new ATOM 0 HG SER A 34 16.264 10.103 -8.875 1.00 0.00 H new ATOM 547 N GLY A 35 13.991 9.792 -12.943 1.00 0.00 N ATOM 548 CA GLY A 35 13.184 8.889 -13.742 1.00 0.00 C ATOM 549 C GLY A 35 14.023 7.892 -14.515 1.00 0.00 C ATOM 550 O GLY A 35 14.994 8.265 -15.172 1.00 0.00 O ATOM 0 H GLY A 35 14.984 9.801 -13.178 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.494 8.351 -13.092 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.579 9.468 -14.440 1.00 0.00 H new ATOM 554 N GLU A 36 13.648 6.619 -14.436 1.00 0.00 N ATOM 555 CA GLU A 36 14.376 5.564 -15.133 1.00 0.00 C ATOM 556 C GLU A 36 13.427 4.705 -15.963 1.00 0.00 C ATOM 557 O GLU A 36 12.206 4.846 -15.875 1.00 0.00 O ATOM 558 CB GLU A 36 15.131 4.688 -14.131 1.00 0.00 C ATOM 559 CG GLU A 36 16.522 5.202 -13.800 1.00 0.00 C ATOM 560 CD GLU A 36 16.558 6.001 -12.512 1.00 0.00 C ATOM 561 OE1 GLU A 36 15.654 6.837 -12.307 1.00 0.00 O ATOM 562 OE2 GLU A 36 17.490 5.788 -11.709 1.00 0.00 O ATOM 0 H GLU A 36 12.846 6.293 -13.897 1.00 0.00 H new ATOM 0 HA GLU A 36 15.093 6.035 -15.805 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.550 4.619 -13.211 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.212 3.678 -14.533 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.207 4.358 -13.719 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.879 5.825 -14.620 1.00 0.00 H new ATOM 569 N CYS A 37 13.995 3.814 -16.768 1.00 0.00 N ATOM 570 CA CYS A 37 13.202 2.932 -17.615 1.00 0.00 C ATOM 571 C CYS A 37 13.286 1.489 -17.127 1.00 0.00 C ATOM 572 O CYS A 37 14.347 1.024 -16.710 1.00 0.00 O ATOM 573 CB CYS A 37 13.679 3.020 -19.067 1.00 0.00 C ATOM 574 SG CYS A 37 13.179 4.548 -19.922 1.00 0.00 S ATOM 0 H CYS A 37 15.003 3.684 -16.852 1.00 0.00 H new ATOM 0 HA CYS A 37 12.162 3.255 -17.561 1.00 0.00 H new ATOM 0 HB2 CYS A 37 14.766 2.945 -19.086 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.290 2.164 -19.618 1.00 0.00 H new ATOM 579 N PHE A 38 12.161 0.785 -17.182 1.00 0.00 N ATOM 580 CA PHE A 38 12.106 -0.605 -16.745 1.00 0.00 C ATOM 581 C PHE A 38 11.827 -1.535 -17.923 1.00 0.00 C ATOM 582 O PHE A 38 11.351 -1.101 -18.971 1.00 0.00 O ATOM 583 CB PHE A 38 11.028 -0.783 -15.674 1.00 0.00 C ATOM 584 CG PHE A 38 11.512 -0.488 -14.283 1.00 0.00 C ATOM 585 CD1 PHE A 38 12.192 0.687 -14.006 1.00 0.00 C ATOM 586 CD2 PHE A 38 11.287 -1.386 -13.252 1.00 0.00 C ATOM 587 CE1 PHE A 38 12.638 0.961 -12.727 1.00 0.00 C ATOM 588 CE2 PHE A 38 11.730 -1.117 -11.971 1.00 0.00 C ATOM 589 CZ PHE A 38 12.407 0.058 -11.708 1.00 0.00 C ATOM 0 H PHE A 38 11.274 1.154 -17.525 1.00 0.00 H new ATOM 0 HA PHE A 38 13.076 -0.865 -16.321 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.187 -0.129 -15.904 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.655 -1.807 -15.711 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.376 1.397 -14.799 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.759 -2.307 -13.452 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.167 1.881 -12.525 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.547 -1.825 -11.176 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.755 0.270 -10.708 1.00 0.00 H new ATOM 599 N TYR A 39 12.128 -2.816 -17.741 1.00 0.00 N ATOM 600 CA TYR A 39 11.912 -3.808 -18.788 1.00 0.00 C ATOM 601 C TYR A 39 10.677 -4.653 -18.493 1.00 0.00 C ATOM 602 O TYR A 39 10.756 -5.671 -17.804 1.00 0.00 O ATOM 603 CB TYR A 39 13.140 -4.710 -18.926 1.00 0.00 C ATOM 604 CG TYR A 39 13.873 -4.539 -20.237 1.00 0.00 C ATOM 605 CD1 TYR A 39 13.187 -4.545 -21.445 1.00 0.00 C ATOM 606 CD2 TYR A 39 15.252 -4.370 -20.268 1.00 0.00 C ATOM 607 CE1 TYR A 39 13.853 -4.390 -22.646 1.00 0.00 C ATOM 608 CE2 TYR A 39 15.926 -4.213 -21.463 1.00 0.00 C ATOM 609 CZ TYR A 39 15.222 -4.224 -22.650 1.00 0.00 C ATOM 610 OH TYR A 39 15.889 -4.068 -23.843 1.00 0.00 O ATOM 0 H TYR A 39 12.522 -3.192 -16.879 1.00 0.00 H new ATOM 0 HA TYR A 39 11.751 -3.278 -19.727 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.827 -4.502 -18.106 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.829 -5.750 -18.826 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.115 -4.673 -21.446 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.806 -4.361 -19.341 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.304 -4.399 -23.576 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.998 -4.082 -21.469 1.00 0.00 H new ATOM 0 HH TYR A 39 16.848 -3.962 -23.670 1.00 0.00 H new ATOM 620 N LYS A 40 9.535 -4.223 -19.018 1.00 0.00 N ATOM 621 CA LYS A 40 8.281 -4.939 -18.814 1.00 0.00 C ATOM 622 C LYS A 40 8.012 -5.904 -19.965 1.00 0.00 C ATOM 623 O LYS A 40 8.745 -5.925 -20.953 1.00 0.00 O ATOM 624 CB LYS A 40 7.121 -3.950 -18.682 1.00 0.00 C ATOM 625 CG LYS A 40 6.293 -4.148 -17.424 1.00 0.00 C ATOM 626 CD LYS A 40 5.003 -4.894 -17.718 1.00 0.00 C ATOM 627 CE LYS A 40 3.883 -4.460 -16.784 1.00 0.00 C ATOM 628 NZ LYS A 40 3.945 -5.170 -15.476 1.00 0.00 N ATOM 0 H LYS A 40 9.452 -3.382 -19.588 1.00 0.00 H new ATOM 0 HA LYS A 40 8.366 -5.515 -17.892 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.518 -2.935 -18.690 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.472 -4.046 -19.553 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.875 -4.702 -16.688 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.061 -3.178 -16.983 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.706 -4.716 -18.752 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.170 -5.966 -17.614 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.946 -3.385 -16.617 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.920 -4.653 -17.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.166 -4.847 -14.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.860 -6.195 -15.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.853 -4.965 -15.013 1.00 0.00 H new ATOM 642 N GLU A 41 6.956 -6.699 -19.830 1.00 0.00 N ATOM 643 CA GLU A 41 6.591 -7.665 -20.859 1.00 0.00 C ATOM 644 C GLU A 41 7.800 -8.495 -21.280 1.00 0.00 C ATOM 645 O GLU A 41 8.816 -8.530 -20.585 1.00 0.00 O ATOM 646 CB GLU A 41 6.002 -6.949 -22.076 1.00 0.00 C ATOM 647 CG GLU A 41 4.770 -7.631 -22.647 1.00 0.00 C ATOM 648 CD GLU A 41 4.471 -7.201 -24.070 1.00 0.00 C ATOM 649 OE1 GLU A 41 3.930 -6.091 -24.254 1.00 0.00 O ATOM 650 OE2 GLU A 41 4.780 -7.975 -25.000 1.00 0.00 O ATOM 0 H GLU A 41 6.338 -6.693 -19.018 1.00 0.00 H new ATOM 0 HA GLU A 41 5.840 -8.335 -20.441 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.744 -5.927 -21.796 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.764 -6.884 -22.853 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.912 -8.711 -22.620 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.910 -7.407 -22.016 1.00 0.00 H new ATOM 657 N LYS A 42 7.683 -9.163 -22.423 1.00 0.00 N ATOM 658 CA LYS A 42 8.766 -9.992 -22.939 1.00 0.00 C ATOM 659 C LYS A 42 9.828 -9.138 -23.623 1.00 0.00 C ATOM 660 O LYS A 42 11.024 -9.316 -23.393 1.00 0.00 O ATOM 661 CB LYS A 42 8.217 -11.028 -23.924 1.00 0.00 C ATOM 662 CG LYS A 42 7.975 -12.391 -23.300 1.00 0.00 C ATOM 663 CD LYS A 42 8.088 -13.503 -24.330 1.00 0.00 C ATOM 664 CE LYS A 42 9.526 -13.972 -24.489 1.00 0.00 C ATOM 665 NZ LYS A 42 9.966 -13.941 -25.911 1.00 0.00 N ATOM 0 H LYS A 42 6.849 -9.146 -23.010 1.00 0.00 H new ATOM 0 HA LYS A 42 9.228 -10.508 -22.097 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.281 -10.658 -24.343 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.917 -11.136 -24.753 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.696 -12.560 -22.500 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.984 -12.414 -22.846 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.461 -14.343 -24.030 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.711 -13.151 -25.290 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.182 -13.339 -23.892 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.622 -14.986 -24.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.951 -14.268 -25.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.356 -14.565 -26.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.899 -12.969 -26.274 1.00 0.00 H new ATOM 679 N ARG A 43 9.383 -8.209 -24.463 1.00 0.00 N ATOM 680 CA ARG A 43 10.296 -7.327 -25.180 1.00 0.00 C ATOM 681 C ARG A 43 9.945 -5.863 -24.930 1.00 0.00 C ATOM 682 O ARG A 43 10.825 -5.005 -24.869 1.00 0.00 O ATOM 683 CB ARG A 43 10.254 -7.624 -26.680 1.00 0.00 C ATOM 684 CG ARG A 43 10.661 -9.046 -27.031 1.00 0.00 C ATOM 685 CD ARG A 43 11.174 -9.142 -28.459 1.00 0.00 C ATOM 686 NE ARG A 43 11.091 -10.503 -28.980 1.00 0.00 N ATOM 687 CZ ARG A 43 11.188 -10.803 -30.271 1.00 0.00 C ATOM 688 NH1 ARG A 43 11.372 -9.843 -31.166 1.00 0.00 N ATOM 689 NH2 ARG A 43 11.102 -12.067 -30.667 1.00 0.00 N ATOM 0 H ARG A 43 8.396 -8.048 -24.664 1.00 0.00 H new ATOM 0 HA ARG A 43 11.305 -7.510 -24.809 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.245 -7.442 -27.050 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.914 -6.928 -27.198 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.434 -9.385 -26.342 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.807 -9.712 -26.904 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.596 -8.474 -29.097 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.209 -8.802 -28.496 1.00 0.00 H new ATOM 0 HE ARG A 43 10.951 -11.265 -28.317 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.440 -8.871 -30.865 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.446 -10.076 -32.156 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.961 -12.808 -29.980 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.176 -12.297 -31.658 1.00 0.00 H new ATOM 703 N ASN A 44 8.653 -5.585 -24.787 1.00 0.00 N ATOM 704 CA ASN A 44 8.186 -4.225 -24.546 1.00 0.00 C ATOM 705 C ASN A 44 8.974 -3.572 -23.415 1.00 0.00 C ATOM 706 O ASN A 44 9.643 -4.252 -22.635 1.00 0.00 O ATOM 707 CB ASN A 44 6.694 -4.229 -24.207 1.00 0.00 C ATOM 708 CG ASN A 44 6.079 -2.845 -24.289 1.00 0.00 C ATOM 709 OD1 ASN A 44 6.623 -1.949 -24.934 1.00 0.00 O ATOM 710 ND2 ASN A 44 4.938 -2.665 -23.633 1.00 0.00 N ATOM 0 H ASN A 44 7.911 -6.284 -24.834 1.00 0.00 H new ATOM 0 HA ASN A 44 8.344 -3.646 -25.456 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.171 -4.897 -24.891 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.554 -4.627 -23.202 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.477 -1.755 -23.651 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.523 -3.437 -23.111 1.00 0.00 H new ATOM 717 N LEU A 45 8.891 -2.249 -23.331 1.00 0.00 N ATOM 718 CA LEU A 45 9.596 -1.502 -22.294 1.00 0.00 C ATOM 719 C LEU A 45 8.682 -0.460 -21.657 1.00 0.00 C ATOM 720 O LEU A 45 7.706 -0.022 -22.265 1.00 0.00 O ATOM 721 CB LEU A 45 10.833 -0.821 -22.881 1.00 0.00 C ATOM 722 CG LEU A 45 11.997 -0.596 -21.915 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.327 -0.727 -22.642 1.00 0.00 C ATOM 724 CD2 LEU A 45 11.882 0.768 -21.250 1.00 0.00 C ATOM 0 H LEU A 45 8.343 -1.671 -23.968 1.00 0.00 H new ATOM 0 HA LEU A 45 9.908 -2.205 -21.522 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.192 -1.422 -23.717 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.533 0.145 -23.288 1.00 0.00 H new ATOM 0 HG LEU A 45 11.954 -1.361 -21.139 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.144 -0.564 -21.939 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.411 -1.726 -23.070 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.381 0.015 -23.439 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.719 0.911 -20.566 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.899 1.547 -22.012 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.946 0.824 -20.695 1.00 0.00 H new ATOM 736 N GLN A 46 9.007 -0.067 -20.430 1.00 0.00 N ATOM 737 CA GLN A 46 8.216 0.925 -19.711 1.00 0.00 C ATOM 738 C GLN A 46 9.114 1.983 -19.078 1.00 0.00 C ATOM 739 O GLN A 46 10.321 1.783 -18.934 1.00 0.00 O ATOM 740 CB GLN A 46 7.368 0.248 -18.633 1.00 0.00 C ATOM 741 CG GLN A 46 5.926 0.012 -19.054 1.00 0.00 C ATOM 742 CD GLN A 46 5.211 -0.978 -18.155 1.00 0.00 C ATOM 743 OE1 GLN A 46 4.731 -2.016 -18.613 1.00 0.00 O ATOM 744 NE2 GLN A 46 5.136 -0.662 -16.868 1.00 0.00 N ATOM 0 H GLN A 46 9.812 -0.420 -19.913 1.00 0.00 H new ATOM 0 HA GLN A 46 7.557 1.416 -20.427 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.823 -0.707 -18.371 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.379 0.863 -17.733 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.389 0.960 -19.044 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.906 -0.355 -20.080 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.548 0.208 -16.532 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.667 -1.290 -16.215 1.00 0.00 H new ATOM 753 N CYS A 47 8.518 3.109 -18.701 1.00 0.00 N ATOM 754 CA CYS A 47 9.263 4.199 -18.083 1.00 0.00 C ATOM 755 C CYS A 47 8.689 4.543 -16.712 1.00 0.00 C ATOM 756 O CYS A 47 7.526 4.929 -16.594 1.00 0.00 O ATOM 757 CB CYS A 47 9.238 5.436 -18.984 1.00 0.00 C ATOM 758 SG CYS A 47 10.880 5.963 -19.571 1.00 0.00 S ATOM 0 H CYS A 47 7.521 3.290 -18.813 1.00 0.00 H new ATOM 0 HA CYS A 47 10.295 3.872 -17.953 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.604 5.231 -19.847 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.777 6.260 -18.439 1.00 0.00 H new ATOM 763 N ILE A 48 9.513 4.399 -15.679 1.00 0.00 N ATOM 764 CA ILE A 48 9.087 4.696 -14.317 1.00 0.00 C ATOM 765 C ILE A 48 9.779 5.946 -13.785 1.00 0.00 C ATOM 766 O ILE A 48 10.947 6.197 -14.081 1.00 0.00 O ATOM 767 CB ILE A 48 9.378 3.518 -13.368 1.00 0.00 C ATOM 768 CG1 ILE A 48 8.868 2.209 -13.972 1.00 0.00 C ATOM 769 CG2 ILE A 48 8.741 3.764 -12.008 1.00 0.00 C ATOM 770 CD1 ILE A 48 8.911 1.042 -13.011 1.00 0.00 C ATOM 0 H ILE A 48 10.478 4.079 -15.759 1.00 0.00 H new ATOM 0 HA ILE A 48 8.011 4.867 -14.352 1.00 0.00 H new ATOM 0 HB ILE A 48 10.457 3.437 -13.233 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.842 2.351 -14.313 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.465 1.967 -14.851 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.955 2.923 -11.348 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.149 4.678 -11.575 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.662 3.868 -12.125 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.535 0.148 -13.508 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.939 0.873 -12.689 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.291 1.263 -12.142 1.00 0.00 H new ATOM 782 N CYS A 49 9.050 6.728 -12.995 1.00 0.00 N ATOM 783 CA CYS A 49 9.592 7.953 -12.419 1.00 0.00 C ATOM 784 C CYS A 49 10.190 7.687 -11.041 1.00 0.00 C ATOM 785 O CYS A 49 10.149 6.563 -10.541 1.00 0.00 O ATOM 786 CB CYS A 49 8.501 9.020 -12.317 1.00 0.00 C ATOM 787 SG CYS A 49 8.292 10.017 -13.827 1.00 0.00 S ATOM 0 H CYS A 49 8.082 6.535 -12.739 1.00 0.00 H new ATOM 0 HA CYS A 49 10.383 8.315 -13.076 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.554 8.535 -12.081 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.734 9.685 -11.485 1.00 0.00 H new ATOM 792 N ASP A 50 10.745 8.729 -10.432 1.00 0.00 N ATOM 793 CA ASP A 50 11.350 8.610 -9.111 1.00 0.00 C ATOM 794 C ASP A 50 11.036 9.834 -8.256 1.00 0.00 C ATOM 795 O ASP A 50 11.106 10.968 -8.729 1.00 0.00 O ATOM 796 CB ASP A 50 12.865 8.434 -9.234 1.00 0.00 C ATOM 797 CG ASP A 50 13.465 7.725 -8.036 1.00 0.00 C ATOM 798 OD1 ASP A 50 12.696 7.325 -7.138 1.00 0.00 O ATOM 799 OD2 ASP A 50 14.704 7.571 -7.997 1.00 0.00 O ATOM 0 H ASP A 50 10.788 9.666 -10.833 1.00 0.00 H new ATOM 0 HA ASP A 50 10.928 7.731 -8.624 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.090 7.868 -10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.333 9.412 -9.346 1.00 0.00 H new ATOM 804 N TYR A 51 10.688 9.596 -6.997 1.00 0.00 N ATOM 805 CA TYR A 51 10.359 10.678 -6.077 1.00 0.00 C ATOM 806 C TYR A 51 11.141 10.543 -4.774 1.00 0.00 C ATOM 807 O TYR A 51 10.695 10.994 -3.718 1.00 0.00 O ATOM 808 CB TYR A 51 8.857 10.689 -5.785 1.00 0.00 C ATOM 809 CG TYR A 51 8.019 11.178 -6.944 1.00 0.00 C ATOM 810 CD1 TYR A 51 7.848 12.537 -7.178 1.00 0.00 C ATOM 811 CD2 TYR A 51 7.397 10.282 -7.804 1.00 0.00 C ATOM 812 CE1 TYR A 51 7.082 12.989 -8.236 1.00 0.00 C ATOM 813 CE2 TYR A 51 6.630 10.725 -8.865 1.00 0.00 C ATOM 814 CZ TYR A 51 6.476 12.079 -9.076 1.00 0.00 C ATOM 815 OH TYR A 51 5.712 12.524 -10.131 1.00 0.00 O ATOM 0 H TYR A 51 10.626 8.663 -6.590 1.00 0.00 H new ATOM 0 HA TYR A 51 10.637 11.620 -6.550 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.540 9.681 -5.518 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.668 11.323 -4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.322 13.252 -6.522 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.515 9.221 -7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.959 14.049 -8.404 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.154 10.015 -9.525 1.00 0.00 H new ATOM 0 HH TYR A 51 5.938 13.457 -10.328 1.00 0.00 H new ATOM 825 N CYS A 52 12.311 9.918 -4.856 1.00 0.00 N ATOM 826 CA CYS A 52 13.157 9.722 -3.685 1.00 0.00 C ATOM 827 C CYS A 52 14.630 9.673 -4.081 1.00 0.00 C ATOM 828 O CYS A 52 14.972 9.817 -5.254 1.00 0.00 O ATOM 829 CB CYS A 52 12.770 8.431 -2.961 1.00 0.00 C ATOM 830 SG CYS A 52 11.332 8.602 -1.854 1.00 0.00 S ATOM 0 H CYS A 52 12.695 9.539 -5.722 1.00 0.00 H new ATOM 0 HA CYS A 52 13.007 10.567 -3.013 1.00 0.00 H new ATOM 0 HB2 CYS A 52 12.555 7.662 -3.703 1.00 0.00 H new ATOM 0 HB3 CYS A 52 13.624 8.083 -2.379 1.00 0.00 H new ATOM 835 N GLU A 53 15.496 9.470 -3.093 1.00 0.00 N ATOM 836 CA GLU A 53 16.932 9.403 -3.338 1.00 0.00 C ATOM 837 C GLU A 53 17.687 9.058 -2.058 1.00 0.00 C ATOM 838 O GLU A 53 17.323 9.506 -0.970 1.00 0.00 O ATOM 839 CB GLU A 53 17.438 10.733 -3.900 1.00 0.00 C ATOM 840 CG GLU A 53 17.172 11.919 -2.988 1.00 0.00 C ATOM 841 CD GLU A 53 16.919 13.201 -3.757 1.00 0.00 C ATOM 842 OE1 GLU A 53 17.165 13.218 -4.981 1.00 0.00 O ATOM 843 OE2 GLU A 53 16.474 14.188 -3.134 1.00 0.00 O ATOM 0 H GLU A 53 15.228 9.349 -2.116 1.00 0.00 H new ATOM 0 HA GLU A 53 17.114 8.615 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 53 18.510 10.657 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.964 10.914 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.310 11.702 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.025 12.060 -2.324 1.00 0.00 H new ATOM 850 N TYR A 54 18.740 8.260 -2.196 1.00 0.00 N ATOM 851 CA TYR A 54 19.545 7.852 -1.051 1.00 0.00 C ATOM 852 C TYR A 54 18.690 7.136 -0.011 1.00 0.00 C ATOM 853 O TYR A 54 18.270 7.732 0.980 1.00 0.00 O ATOM 854 CB TYR A 54 20.224 9.069 -0.419 1.00 0.00 C ATOM 855 CG TYR A 54 21.124 8.723 0.746 1.00 0.00 C ATOM 856 CD1 TYR A 54 22.168 7.818 0.598 1.00 0.00 C ATOM 857 CD2 TYR A 54 20.929 9.300 1.995 1.00 0.00 C ATOM 858 CE1 TYR A 54 22.992 7.499 1.659 1.00 0.00 C ATOM 859 CE2 TYR A 54 21.749 8.987 3.062 1.00 0.00 C ATOM 860 CZ TYR A 54 22.779 8.086 2.889 1.00 0.00 C ATOM 861 OH TYR A 54 23.597 7.771 3.949 1.00 0.00 O ATOM 0 H TYR A 54 19.056 7.883 -3.090 1.00 0.00 H new ATOM 0 HA TYR A 54 20.309 7.160 -1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 54 20.811 9.583 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 54 19.458 9.767 -0.081 1.00 0.00 H new ATOM 0 HD1 TYR A 54 22.338 7.356 -0.363 1.00 0.00 H new ATOM 0 HD2 TYR A 54 20.123 10.005 2.134 1.00 0.00 H new ATOM 0 HE1 TYR A 54 23.799 6.794 1.527 1.00 0.00 H new ATOM 0 HE2 TYR A 54 21.584 9.445 4.026 1.00 0.00 H new ATOM 0 HH TYR A 54 23.312 8.272 4.742 1.00 0.00 H new TER 871 TYR A 54