USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 547 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: 1 68 ASN : amide:sc= -2.68! K(o=-14!,f=-8.7) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -11.4! C(o=-14!,f=-8.7!) USER MOD Set 2.1: 1 33 THR OG1 : rot 110:sc= 0.285 USER MOD Set 2.2: 1 35 LYS NZ :NH3+ -147:sc= 0.288 (180deg=-0.172) USER MOD Single : 1 1 SER N :NH3+ -148:sc=-0.00143 (180deg=-0.472) USER MOD Single : 1 1 SER OG : rot 180:sc= 0 USER MOD Single : 1 7 ASN : amide:sc= -3.9! C(o=-3.9!,f=-8.3!) USER MOD Single : 1 8 LYS NZ :NH3+ -155:sc= 0.146 (180deg=-0.273) USER MOD Single : 1 12 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.00039) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : 1 30 ASN : amide:sc= -4.96! K(o=-5!,f=-0.87) USER MOD Single : 1 37 THR OG1 : rot -141:sc= 0.963 USER MOD Single : 1 40 SER OG : rot 170:sc= -0.169 USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 43 ASN : amide:sc= -4.31 X(o=-4.3,f=-4.1) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc=-0.00999 K(o=-0.01,f=-0.92) USER MOD Single : 1 54 LYS NZ :NH3+ 170:sc= 0.73 (180deg=0.327) USER MOD Single : 1 55 LYS NZ :NH3+ -144:sc= -0.368 (180deg=-1.36!) USER MOD Single : 1 58 THR OG1 : rot 78:sc= 0.829 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ 140:sc= -0.338 (180deg=-1.34!) USER MOD Single : 1 76 SER OG : rot 180:sc= -0.0257 USER MOD Single : 1 77 SER OG : rot 167:sc= -0.173 USER MOD Single : 1 82 ASN : amide:sc= -4.83 K(o=-4.8,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 20.790 0.646 -11.520 1.00 0.00 N ATOM 2 CA SER 1 1 19.931 1.018 -10.365 1.00 0.00 C ATOM 3 C SER 1 1 18.451 0.931 -10.727 1.00 0.00 C ATOM 4 O SER 1 1 17.813 1.944 -11.013 1.00 0.00 O ATOM 5 CB SER 1 1 20.286 2.442 -9.933 1.00 0.00 C ATOM 6 OG SER 1 1 21.481 2.461 -9.170 1.00 0.00 O ATOM 0 H1 SER 1 1 21.661 0.194 -11.174 1.00 0.00 H new ATOM 0 H2 SER 1 1 20.277 -0.017 -12.135 1.00 0.00 H new ATOM 0 H3 SER 1 1 21.034 1.500 -12.060 1.00 0.00 H new ATOM 0 HA SER 1 1 20.110 0.321 -9.547 1.00 0.00 H new ATOM 0 HB2 SER 1 1 20.403 3.074 -10.813 1.00 0.00 H new ATOM 0 HB3 SER 1 1 19.469 2.861 -9.346 1.00 0.00 H new ATOM 0 HG SER 1 1 21.687 3.382 -8.908 1.00 0.00 H new ATOM 14 N PRO 1 2 17.882 -0.287 -10.718 1.00 0.00 N ATOM 15 CA PRO 1 2 16.470 -0.502 -11.048 1.00 0.00 C ATOM 16 C PRO 1 2 15.535 0.447 -10.295 1.00 0.00 C ATOM 17 O PRO 1 2 14.610 1.005 -10.884 1.00 0.00 O ATOM 18 CB PRO 1 2 16.222 -1.951 -10.625 1.00 0.00 C ATOM 19 CG PRO 1 2 17.556 -2.608 -10.726 1.00 0.00 C ATOM 20 CD PRO 1 2 18.572 -1.550 -10.389 1.00 0.00 C ATOM 0 HA PRO 1 2 16.268 -0.311 -12.102 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 15.830 -2.005 -9.610 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 15.492 -2.434 -11.275 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 17.628 -3.450 -10.038 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 17.721 -3.001 -11.729 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 18.857 -1.589 -9.338 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 19.485 -1.671 -10.972 1.00 0.00 H new ATOM 28 N PRO 1 3 15.761 0.649 -8.982 1.00 0.00 N ATOM 29 CA PRO 1 3 14.932 1.537 -8.166 1.00 0.00 C ATOM 30 C PRO 1 3 15.230 3.005 -8.444 1.00 0.00 C ATOM 31 O PRO 1 3 16.253 3.532 -8.006 1.00 0.00 O ATOM 32 CB PRO 1 3 15.313 1.176 -6.719 1.00 0.00 C ATOM 33 CG PRO 1 3 16.216 -0.012 -6.817 1.00 0.00 C ATOM 34 CD PRO 1 3 16.830 0.044 -8.183 1.00 0.00 C ATOM 0 HA PRO 1 3 13.870 1.408 -8.376 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.816 2.009 -6.228 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.427 0.945 -6.128 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 16.983 0.017 -6.043 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 15.658 -0.938 -6.678 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.738 0.647 -8.196 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 17.100 -0.947 -8.548 1.00 0.00 H new ATOM 42 N VAL 1 4 14.336 3.663 -9.178 1.00 0.00 N ATOM 43 CA VAL 1 4 14.517 5.070 -9.513 1.00 0.00 C ATOM 44 C VAL 1 4 13.372 5.932 -8.985 1.00 0.00 C ATOM 45 O VAL 1 4 12.242 5.840 -9.465 1.00 0.00 O ATOM 46 CB VAL 1 4 14.637 5.269 -11.036 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.095 5.225 -11.466 1.00 0.00 C ATOM 48 CG2 VAL 1 4 13.824 4.219 -11.781 1.00 0.00 C ATOM 0 H VAL 1 4 13.483 3.245 -9.550 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.443 5.386 -9.033 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.235 6.251 -11.287 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.161 5.367 -12.545 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.647 6.018 -10.961 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.524 4.259 -11.201 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 13.922 4.377 -12.855 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 14.192 3.225 -11.526 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 12.775 4.302 -11.497 1.00 0.00 H new ATOM 58 N CYS 1 5 13.675 6.784 -8.008 1.00 0.00 N ATOM 59 CA CYS 1 5 12.671 7.677 -7.435 1.00 0.00 C ATOM 60 C CYS 1 5 12.499 8.888 -8.344 1.00 0.00 C ATOM 61 O CYS 1 5 13.302 9.821 -8.318 1.00 0.00 O ATOM 62 CB CYS 1 5 13.084 8.109 -6.020 1.00 0.00 C ATOM 63 SG CYS 1 5 12.229 9.595 -5.384 1.00 0.00 S ATOM 0 H CYS 1 5 14.604 6.875 -7.598 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.719 7.152 -7.359 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.899 7.281 -5.335 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 14.158 8.295 -6.012 1.00 0.00 H new ATOM 68 N GLY 1 6 11.464 8.844 -9.170 1.00 0.00 N ATOM 69 CA GLY 1 6 11.210 9.915 -10.112 1.00 0.00 C ATOM 70 C GLY 1 6 11.313 9.411 -11.536 1.00 0.00 C ATOM 71 O GLY 1 6 11.677 10.152 -12.449 1.00 0.00 O ATOM 0 H GLY 1 6 10.790 8.079 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.217 10.330 -9.939 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.925 10.722 -9.954 1.00 0.00 H new ATOM 75 N ASN 1 7 10.991 8.133 -11.711 1.00 0.00 N ATOM 76 CA ASN 1 7 11.039 7.483 -13.010 1.00 0.00 C ATOM 77 C ASN 1 7 9.698 6.822 -13.316 1.00 0.00 C ATOM 78 O ASN 1 7 9.518 6.211 -14.369 1.00 0.00 O ATOM 79 CB ASN 1 7 12.154 6.435 -13.022 1.00 0.00 C ATOM 80 CG ASN 1 7 12.354 5.815 -14.392 1.00 0.00 C ATOM 81 OD1 ASN 1 7 11.576 4.964 -14.822 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.404 6.241 -15.085 1.00 0.00 N ATOM 0 H ASN 1 7 10.689 7.521 -10.953 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.243 8.232 -13.775 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 13.086 6.897 -12.696 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.919 5.651 -12.303 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 13.591 5.861 -16.013 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 14.023 6.949 -14.689 1.00 0.00 H new ATOM 89 N LYS 1 8 8.761 6.954 -12.377 1.00 0.00 N ATOM 90 CA LYS 1 8 7.429 6.383 -12.512 1.00 0.00 C ATOM 91 C LYS 1 8 7.417 4.904 -12.135 1.00 0.00 C ATOM 92 O LYS 1 8 6.497 4.172 -12.500 1.00 0.00 O ATOM 93 CB LYS 1 8 6.889 6.570 -13.933 1.00 0.00 C ATOM 94 CG LYS 1 8 5.372 6.629 -14.005 1.00 0.00 C ATOM 95 CD LYS 1 8 4.849 5.990 -15.282 1.00 0.00 C ATOM 96 CE LYS 1 8 4.559 4.511 -15.086 1.00 0.00 C ATOM 97 NZ LYS 1 8 5.735 3.664 -15.429 1.00 0.00 N ATOM 0 H LYS 1 8 8.908 7.460 -11.504 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.777 6.917 -11.821 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.300 7.489 -14.351 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 7.242 5.750 -14.558 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.946 6.119 -13.141 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 5.045 7.668 -13.956 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 3.940 6.501 -15.600 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.581 6.116 -16.079 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 4.272 4.332 -14.050 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 3.710 4.222 -15.706 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 5.411 2.712 -15.695 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 6.249 4.090 -16.226 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 6.367 3.597 -14.606 1.00 0.00 H new ATOM 111 N ILE 1 9 8.434 4.468 -11.393 1.00 0.00 N ATOM 112 CA ILE 1 9 8.517 3.079 -10.964 1.00 0.00 C ATOM 113 C ILE 1 9 8.567 2.991 -9.447 1.00 0.00 C ATOM 114 O ILE 1 9 9.522 3.454 -8.824 1.00 0.00 O ATOM 115 CB ILE 1 9 9.757 2.352 -11.538 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.514 3.242 -12.524 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.345 1.049 -12.205 1.00 0.00 C ATOM 118 CD1 ILE 1 9 11.726 2.571 -13.134 1.00 0.00 C ATOM 0 H ILE 1 9 9.207 5.056 -11.079 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.622 2.588 -11.347 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.428 2.125 -10.709 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 9.836 3.545 -13.322 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 10.831 4.151 -12.012 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.228 0.549 -12.604 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 8.862 0.402 -11.473 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 8.650 1.260 -13.017 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.215 3.260 -13.823 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.424 2.292 -12.344 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.414 1.677 -13.674 1.00 0.00 H new ATOM 130 N LEU 1 10 7.547 2.384 -8.858 1.00 0.00 N ATOM 131 CA LEU 1 10 7.497 2.223 -7.411 1.00 0.00 C ATOM 132 C LEU 1 10 8.539 1.201 -6.981 1.00 0.00 C ATOM 133 O LEU 1 10 8.205 0.120 -6.493 1.00 0.00 O ATOM 134 CB LEU 1 10 6.102 1.777 -6.960 1.00 0.00 C ATOM 135 CG LEU 1 10 4.943 2.292 -7.817 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.584 1.277 -8.892 1.00 0.00 C ATOM 137 CD2 LEU 1 10 3.734 2.602 -6.948 1.00 0.00 C ATOM 0 H LEU 1 10 6.746 1.996 -9.356 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.712 3.183 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 6.071 0.687 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.947 2.107 -5.933 1.00 0.00 H new ATOM 0 HG LEU 1 10 5.258 3.213 -8.306 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.758 1.659 -9.492 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 5.449 1.104 -9.533 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 4.288 0.339 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 2.920 2.967 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 3.416 1.697 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 3.998 3.365 -6.216 1.00 0.00 H new ATOM 149 N GLU 1 11 9.806 1.544 -7.186 1.00 0.00 N ATOM 150 CA GLU 1 11 10.901 0.651 -6.843 1.00 0.00 C ATOM 151 C GLU 1 11 11.884 1.325 -5.894 1.00 0.00 C ATOM 152 O GLU 1 11 12.257 0.752 -4.871 1.00 0.00 O ATOM 153 CB GLU 1 11 11.618 0.192 -8.113 1.00 0.00 C ATOM 154 CG GLU 1 11 12.673 -0.871 -7.864 1.00 0.00 C ATOM 155 CD GLU 1 11 13.206 -1.476 -9.147 1.00 0.00 C ATOM 156 OE1 GLU 1 11 13.073 -0.830 -10.208 1.00 0.00 O ATOM 157 OE2 GLU 1 11 13.755 -2.596 -9.092 1.00 0.00 O ATOM 0 H GLU 1 11 10.098 2.435 -7.588 1.00 0.00 H new ATOM 0 HA GLU 1 11 10.486 -0.218 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 10.881 -0.197 -8.816 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 12.087 1.054 -8.587 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.499 -0.434 -7.303 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 12.249 -1.660 -7.244 1.00 0.00 H new ATOM 164 N GLN 1 12 12.304 2.541 -6.235 1.00 0.00 N ATOM 165 CA GLN 1 12 13.247 3.283 -5.398 1.00 0.00 C ATOM 166 C GLN 1 12 12.615 3.706 -4.070 1.00 0.00 C ATOM 167 O GLN 1 12 12.533 4.895 -3.765 1.00 0.00 O ATOM 168 CB GLN 1 12 13.753 4.514 -6.145 1.00 0.00 C ATOM 169 CG GLN 1 12 15.206 4.852 -5.851 1.00 0.00 C ATOM 170 CD GLN 1 12 15.363 5.730 -4.626 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.502 6.949 -4.735 1.00 0.00 O ATOM 172 NE2 GLN 1 12 15.343 5.114 -3.449 1.00 0.00 N ATOM 0 H GLN 1 12 12.009 3.032 -7.079 1.00 0.00 H new ATOM 0 HA GLN 1 12 14.083 2.620 -5.175 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.637 4.351 -7.216 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 13.130 5.369 -5.883 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.768 3.929 -5.707 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.640 5.358 -6.714 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.225 4.102 -3.405 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 15.445 5.653 -2.589 1.00 0.00 H new ATOM 181 N GLY 1 13 12.184 2.723 -3.279 1.00 0.00 N ATOM 182 CA GLY 1 13 11.576 3.004 -1.986 1.00 0.00 C ATOM 183 C GLY 1 13 10.646 4.204 -2.007 1.00 0.00 C ATOM 184 O GLY 1 13 10.664 5.025 -1.091 1.00 0.00 O ATOM 0 H GLY 1 13 12.246 1.732 -3.512 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 11.019 2.127 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.363 3.176 -1.252 1.00 0.00 H new ATOM 188 N GLU 1 14 9.833 4.308 -3.053 1.00 0.00 N ATOM 189 CA GLU 1 14 8.899 5.420 -3.181 1.00 0.00 C ATOM 190 C GLU 1 14 7.514 5.035 -2.675 1.00 0.00 C ATOM 191 O GLU 1 14 6.986 5.648 -1.747 1.00 0.00 O ATOM 192 CB GLU 1 14 8.798 5.877 -4.638 1.00 0.00 C ATOM 193 CG GLU 1 14 10.122 5.873 -5.380 1.00 0.00 C ATOM 194 CD GLU 1 14 10.396 4.553 -6.067 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.010 3.504 -5.510 1.00 0.00 O ATOM 196 OE2 GLU 1 14 10.996 4.567 -7.162 1.00 0.00 O ATOM 0 H GLU 1 14 9.802 3.638 -3.822 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.281 6.240 -2.572 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.097 5.229 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.382 6.884 -4.664 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 10.122 6.672 -6.122 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.928 6.089 -4.679 1.00 0.00 H new ATOM 203 N ASP 1 15 6.925 4.023 -3.305 1.00 0.00 N ATOM 204 CA ASP 1 15 5.589 3.554 -2.941 1.00 0.00 C ATOM 205 C ASP 1 15 4.520 4.508 -3.473 1.00 0.00 C ATOM 206 O ASP 1 15 3.348 4.405 -3.113 1.00 0.00 O ATOM 207 CB ASP 1 15 5.457 3.414 -1.421 1.00 0.00 C ATOM 208 CG ASP 1 15 4.573 2.249 -1.023 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.341 2.439 -0.940 1.00 0.00 O ATOM 210 OD2 ASP 1 15 5.111 1.146 -0.793 1.00 0.00 O ATOM 0 H ASP 1 15 7.354 3.509 -4.074 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.442 2.574 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.447 3.282 -0.984 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 5.047 4.336 -1.008 1.00 0.00 H new ATOM 215 N CYS 1 16 4.940 5.432 -4.338 1.00 0.00 N ATOM 216 CA CYS 1 16 4.040 6.413 -4.938 1.00 0.00 C ATOM 217 C CYS 1 16 4.844 7.525 -5.597 1.00 0.00 C ATOM 218 O CYS 1 16 4.883 8.655 -5.108 1.00 0.00 O ATOM 219 CB CYS 1 16 3.086 7.001 -3.894 1.00 0.00 C ATOM 220 SG CYS 1 16 1.381 6.362 -3.986 1.00 0.00 S ATOM 0 H CYS 1 16 5.910 5.520 -4.640 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.442 5.905 -5.695 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.484 6.797 -2.900 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.062 8.084 -4.011 1.00 0.00 H new ATOM 225 N ASP 1 17 5.492 7.195 -6.707 1.00 0.00 N ATOM 226 CA ASP 1 17 6.302 8.162 -7.431 1.00 0.00 C ATOM 227 C ASP 1 17 5.759 8.397 -8.837 1.00 0.00 C ATOM 228 O ASP 1 17 5.015 7.578 -9.377 1.00 0.00 O ATOM 229 CB ASP 1 17 7.755 7.683 -7.502 1.00 0.00 C ATOM 230 CG ASP 1 17 8.603 8.523 -8.437 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.792 9.724 -8.151 1.00 0.00 O ATOM 232 OD2 ASP 1 17 9.073 7.980 -9.459 1.00 0.00 O ATOM 0 H ASP 1 17 5.471 6.265 -7.124 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.261 9.108 -6.891 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.190 7.707 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.775 6.645 -7.834 1.00 0.00 H new ATOM 237 N CYS 1 18 6.153 9.520 -9.422 1.00 0.00 N ATOM 238 CA CYS 1 18 5.732 9.884 -10.768 1.00 0.00 C ATOM 239 C CYS 1 18 6.950 10.180 -11.639 1.00 0.00 C ATOM 240 O CYS 1 18 7.803 10.986 -11.270 1.00 0.00 O ATOM 241 CB CYS 1 18 4.821 11.112 -10.731 1.00 0.00 C ATOM 242 SG CYS 1 18 3.120 10.773 -10.173 1.00 0.00 S ATOM 0 H CYS 1 18 6.770 10.201 -8.980 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.180 9.045 -11.192 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.264 11.858 -10.072 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.782 11.550 -11.728 1.00 0.00 H new ATOM 247 N GLY 1 19 7.030 9.527 -12.795 1.00 0.00 N ATOM 248 CA GLY 1 19 8.152 9.743 -13.697 1.00 0.00 C ATOM 249 C GLY 1 19 8.526 11.209 -13.822 1.00 0.00 C ATOM 250 O GLY 1 19 9.705 11.554 -13.893 1.00 0.00 O ATOM 0 H GLY 1 19 6.340 8.852 -13.125 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.015 9.181 -13.339 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.902 9.350 -14.683 1.00 0.00 H new ATOM 254 N SER 1 20 7.515 12.072 -13.841 1.00 0.00 N ATOM 255 CA SER 1 20 7.735 13.509 -13.947 1.00 0.00 C ATOM 256 C SER 1 20 6.790 14.269 -13.014 1.00 0.00 C ATOM 257 O SER 1 20 5.572 14.206 -13.176 1.00 0.00 O ATOM 258 CB SER 1 20 7.526 13.973 -15.390 1.00 0.00 C ATOM 259 OG SER 1 20 8.394 15.045 -15.712 1.00 0.00 O ATOM 0 H SER 1 20 6.534 11.800 -13.784 1.00 0.00 H new ATOM 0 HA SER 1 20 8.763 13.720 -13.651 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.702 13.141 -16.072 1.00 0.00 H new ATOM 0 HB3 SER 1 20 6.491 14.285 -15.529 1.00 0.00 H new ATOM 0 HG SER 1 20 8.242 15.322 -16.640 1.00 0.00 H new ATOM 265 N PRO 1 21 7.331 15.003 -12.021 1.00 0.00 N ATOM 266 CA PRO 1 21 6.513 15.769 -11.075 1.00 0.00 C ATOM 267 C PRO 1 21 5.495 16.656 -11.786 1.00 0.00 C ATOM 268 O PRO 1 21 4.449 16.987 -11.228 1.00 0.00 O ATOM 269 CB PRO 1 21 7.530 16.624 -10.303 1.00 0.00 C ATOM 270 CG PRO 1 21 8.824 16.478 -11.035 1.00 0.00 C ATOM 271 CD PRO 1 21 8.764 15.153 -11.737 1.00 0.00 C ATOM 0 HA PRO 1 21 5.927 15.116 -10.429 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.217 17.667 -10.267 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.624 16.284 -9.272 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 8.961 17.290 -11.749 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 9.667 16.515 -10.345 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.360 15.151 -12.650 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.139 14.345 -11.109 1.00 0.00 H new ATOM 279 N ALA 1 22 5.806 17.030 -13.023 1.00 0.00 N ATOM 280 CA ALA 1 22 4.915 17.869 -13.814 1.00 0.00 C ATOM 281 C ALA 1 22 3.878 17.019 -14.539 1.00 0.00 C ATOM 282 O ALA 1 22 2.756 17.461 -14.786 1.00 0.00 O ATOM 283 CB ALA 1 22 5.713 18.698 -14.810 1.00 0.00 C ATOM 0 H ALA 1 22 6.668 16.765 -13.499 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.391 18.546 -13.139 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.033 19.319 -15.393 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.416 19.335 -14.273 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.262 18.035 -15.478 1.00 0.00 H new ATOM 289 N ASN 1 23 4.261 15.788 -14.865 1.00 0.00 N ATOM 290 CA ASN 1 23 3.369 14.860 -15.549 1.00 0.00 C ATOM 291 C ASN 1 23 2.911 13.763 -14.594 1.00 0.00 C ATOM 292 O ASN 1 23 2.511 12.679 -15.019 1.00 0.00 O ATOM 293 CB ASN 1 23 4.070 14.241 -16.760 1.00 0.00 C ATOM 294 CG ASN 1 23 4.737 15.283 -17.637 1.00 0.00 C ATOM 295 OD1 ASN 1 23 4.139 16.305 -17.971 1.00 0.00 O ATOM 296 ND2 ASN 1 23 5.984 15.027 -18.015 1.00 0.00 N ATOM 0 H ASN 1 23 5.187 15.410 -14.665 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.495 15.413 -15.894 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 4.818 13.526 -16.417 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 3.344 13.684 -17.351 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 6.484 15.691 -18.606 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 6.442 14.166 -17.714 1.00 0.00 H new ATOM 303 N CYS 1 24 2.982 14.056 -13.299 1.00 0.00 N ATOM 304 CA CYS 1 24 2.588 13.109 -12.270 1.00 0.00 C ATOM 305 C CYS 1 24 1.129 12.706 -12.426 1.00 0.00 C ATOM 306 O CYS 1 24 0.242 13.281 -11.796 1.00 0.00 O ATOM 307 CB CYS 1 24 2.822 13.714 -10.888 1.00 0.00 C ATOM 308 SG CYS 1 24 2.468 12.578 -9.507 1.00 0.00 S ATOM 0 H CYS 1 24 3.312 14.951 -12.939 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.199 12.213 -12.378 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.859 14.042 -10.818 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.199 14.602 -10.782 1.00 0.00 H new ATOM 313 N GLN 1 25 0.892 11.713 -13.272 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.458 11.221 -13.521 1.00 0.00 C ATOM 315 C GLN 1 25 -0.899 10.243 -12.431 1.00 0.00 C ATOM 316 O GLN 1 25 -1.400 9.157 -12.723 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.530 10.544 -14.891 1.00 0.00 C ATOM 318 CG GLN 1 25 0.396 9.347 -15.028 1.00 0.00 C ATOM 319 CD GLN 1 25 -0.053 8.383 -16.108 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -0.512 8.795 -17.173 1.00 0.00 O ATOM 321 NE2 GLN 1 25 0.077 7.089 -15.837 1.00 0.00 N ATOM 0 H GLN 1 25 1.619 11.230 -13.800 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.135 12.075 -13.507 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.555 10.222 -15.075 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.282 11.274 -15.661 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.404 9.696 -15.254 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.447 8.821 -14.075 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 0.463 6.792 -14.941 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 -0.209 6.393 -16.525 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.715 10.639 -11.175 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.098 9.807 -10.043 1.00 0.00 C ATOM 332 C ASP 1 26 -1.570 10.677 -8.884 1.00 0.00 C ATOM 333 O ASP 1 26 -0.764 11.181 -8.103 1.00 0.00 O ATOM 334 CB ASP 1 26 0.078 8.935 -9.600 1.00 0.00 C ATOM 335 CG ASP 1 26 0.679 8.147 -10.748 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -0.084 7.460 -11.459 1.00 0.00 O ATOM 337 OD2 ASP 1 26 1.912 8.218 -10.936 1.00 0.00 O ATOM 0 H ASP 1 26 -0.301 11.535 -10.917 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.917 9.158 -10.352 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.847 9.566 -9.154 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.257 8.245 -8.825 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.880 10.858 -8.786 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.462 11.676 -7.730 1.00 0.00 C ATOM 344 C ARG 1 27 -3.188 11.083 -6.350 1.00 0.00 C ATOM 345 O ARG 1 27 -3.225 11.791 -5.344 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.967 11.825 -7.952 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.744 10.531 -7.768 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.914 10.442 -8.734 1.00 0.00 C ATOM 349 NE ARG 1 27 -6.506 9.941 -10.044 1.00 0.00 N ATOM 350 CZ ARG 1 27 -7.353 9.449 -10.946 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -8.652 9.390 -10.684 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -6.898 9.015 -12.114 1.00 0.00 N ATOM 0 H ARG 1 27 -3.561 10.449 -9.426 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.994 12.660 -7.769 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.355 12.573 -7.260 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.141 12.203 -8.960 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.079 9.681 -7.921 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.111 10.468 -6.744 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -7.679 9.787 -8.317 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.366 11.427 -8.848 1.00 0.00 H new ATOM 0 HE ARG 1 27 -5.514 9.970 -10.282 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -9.007 9.723 -9.788 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -9.296 9.012 -11.379 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -5.900 9.058 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -7.546 8.638 -12.806 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.915 9.783 -6.307 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.637 9.105 -5.045 1.00 0.00 C ATOM 368 C CYS 1 28 -1.133 8.904 -4.838 1.00 0.00 C ATOM 369 O CYS 1 28 -0.708 8.378 -3.810 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.360 7.757 -4.998 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.152 7.887 -4.682 1.00 0.00 S ATOM 0 H CYS 1 28 -2.880 9.179 -7.128 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.006 9.738 -4.238 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.205 7.240 -5.945 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.908 7.141 -4.221 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.332 9.330 -5.814 1.00 0.00 N ATOM 377 CA CYS 1 29 1.120 9.195 -5.728 1.00 0.00 C ATOM 378 C CYS 1 29 1.814 10.460 -6.227 1.00 0.00 C ATOM 379 O CYS 1 29 1.545 10.927 -7.332 1.00 0.00 O ATOM 380 CB CYS 1 29 1.586 7.992 -6.547 1.00 0.00 C ATOM 381 SG CYS 1 29 0.929 6.396 -5.967 1.00 0.00 S ATOM 0 H CYS 1 29 -0.664 9.771 -6.672 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.386 9.043 -4.682 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.291 8.138 -7.586 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.675 7.953 -6.527 1.00 0.00 H new ATOM 386 N ASN 1 30 2.700 11.018 -5.405 1.00 0.00 N ATOM 387 CA ASN 1 30 3.419 12.238 -5.772 1.00 0.00 C ATOM 388 C ASN 1 30 4.910 11.976 -5.973 1.00 0.00 C ATOM 389 O ASN 1 30 5.555 11.318 -5.151 1.00 0.00 O ATOM 390 CB ASN 1 30 3.213 13.311 -4.700 1.00 0.00 C ATOM 391 CG ASN 1 30 3.984 14.584 -4.988 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.952 15.105 -6.103 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.684 15.091 -3.981 1.00 0.00 N ATOM 0 H ASN 1 30 2.937 10.648 -4.485 1.00 0.00 H new ATOM 0 HA ASN 1 30 3.014 12.590 -6.720 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.151 13.544 -4.625 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.522 12.916 -3.732 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 5.224 15.946 -4.115 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.682 14.626 -3.073 1.00 0.00 H new ATOM 400 N ALA 1 31 5.449 12.507 -7.073 1.00 0.00 N ATOM 401 CA ALA 1 31 6.864 12.352 -7.395 1.00 0.00 C ATOM 402 C ALA 1 31 7.727 13.218 -6.487 1.00 0.00 C ATOM 403 O ALA 1 31 8.774 12.785 -6.007 1.00 0.00 O ATOM 404 CB ALA 1 31 7.118 12.722 -8.848 1.00 0.00 C ATOM 0 H ALA 1 31 4.922 13.050 -7.757 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.132 11.307 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.177 12.602 -9.074 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.532 12.071 -9.497 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.827 13.759 -9.016 1.00 0.00 H new ATOM 410 N ALA 1 32 7.276 14.447 -6.258 1.00 0.00 N ATOM 411 CA ALA 1 32 8.003 15.385 -5.408 1.00 0.00 C ATOM 412 C ALA 1 32 8.286 14.784 -4.034 1.00 0.00 C ATOM 413 O ALA 1 32 9.184 15.233 -3.323 1.00 0.00 O ATOM 414 CB ALA 1 32 7.223 16.685 -5.270 1.00 0.00 C ATOM 0 H ALA 1 32 6.410 14.818 -6.649 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.961 15.597 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.776 17.376 -4.634 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.083 17.132 -6.254 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.250 16.480 -4.823 1.00 0.00 H new ATOM 420 N THR 1 33 7.518 13.761 -3.670 1.00 0.00 N ATOM 421 CA THR 1 33 7.689 13.095 -2.388 1.00 0.00 C ATOM 422 C THR 1 33 8.037 11.627 -2.591 1.00 0.00 C ATOM 423 O THR 1 33 8.538 10.966 -1.681 1.00 0.00 O ATOM 424 CB THR 1 33 6.409 13.205 -1.556 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.646 12.810 -0.217 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.269 12.357 -2.090 1.00 0.00 C ATOM 0 H THR 1 33 6.771 13.377 -4.248 1.00 0.00 H new ATOM 0 HA THR 1 33 8.506 13.585 -1.858 1.00 0.00 H new ATOM 0 HB THR 1 33 6.118 14.254 -1.614 1.00 0.00 H new ATOM 0 HG1 THR 1 33 6.604 13.595 0.368 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.393 12.482 -1.453 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.027 12.670 -3.106 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.567 11.309 -2.095 1.00 0.00 H new ATOM 434 N CYS 1 34 7.741 11.113 -3.782 1.00 0.00 N ATOM 435 CA CYS 1 34 7.997 9.718 -4.085 1.00 0.00 C ATOM 436 C CYS 1 34 7.256 8.846 -3.081 1.00 0.00 C ATOM 437 O CYS 1 34 7.771 7.831 -2.618 1.00 0.00 O ATOM 438 CB CYS 1 34 9.501 9.424 -4.051 1.00 0.00 C ATOM 439 SG CYS 1 34 10.259 9.216 -5.697 1.00 0.00 S ATOM 0 H CYS 1 34 7.325 11.644 -4.547 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.638 9.495 -5.090 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 10.007 10.237 -3.530 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.670 8.518 -3.468 1.00 0.00 H new ATOM 444 N LYS 1 35 6.044 9.272 -2.736 1.00 0.00 N ATOM 445 CA LYS 1 35 5.229 8.548 -1.769 1.00 0.00 C ATOM 446 C LYS 1 35 3.766 8.982 -1.842 1.00 0.00 C ATOM 447 O LYS 1 35 3.421 9.934 -2.543 1.00 0.00 O ATOM 448 CB LYS 1 35 5.790 8.759 -0.353 1.00 0.00 C ATOM 449 CG LYS 1 35 4.938 9.654 0.540 1.00 0.00 C ATOM 450 CD LYS 1 35 5.730 10.167 1.732 1.00 0.00 C ATOM 451 CE LYS 1 35 4.877 11.049 2.629 1.00 0.00 C ATOM 452 NZ LYS 1 35 4.425 12.283 1.927 1.00 0.00 N ATOM 0 H LYS 1 35 5.606 10.113 -3.112 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.268 7.486 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.901 7.787 0.128 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.788 9.191 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 4.564 10.498 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 4.069 9.098 0.891 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 6.112 9.323 2.307 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 6.594 10.731 1.381 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 4.008 10.487 2.971 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 5.447 11.324 3.516 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 4.361 13.066 2.608 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 5.107 12.528 1.181 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 3.491 12.118 1.501 1.00 0.00 H new ATOM 466 N LEU 1 36 2.914 8.269 -1.112 1.00 0.00 N ATOM 467 CA LEU 1 36 1.482 8.556 -1.080 1.00 0.00 C ATOM 468 C LEU 1 36 1.214 10.048 -0.888 1.00 0.00 C ATOM 469 O LEU 1 36 1.906 10.721 -0.126 1.00 0.00 O ATOM 470 CB LEU 1 36 0.815 7.765 0.047 1.00 0.00 C ATOM 471 CG LEU 1 36 0.522 6.296 -0.268 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.345 5.501 1.015 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.713 6.177 -1.146 1.00 0.00 C ATOM 0 H LEU 1 36 3.193 7.480 -0.529 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.061 8.256 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.455 7.810 0.928 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.122 8.257 0.309 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.372 5.883 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.137 4.459 0.772 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.257 5.560 1.609 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.487 5.913 1.586 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.907 5.126 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.571 6.606 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.548 6.714 -2.080 1.00 0.00 H new ATOM 485 N THR 1 37 0.200 10.554 -1.585 1.00 0.00 N ATOM 486 CA THR 1 37 -0.168 11.964 -1.492 1.00 0.00 C ATOM 487 C THR 1 37 -1.415 12.142 -0.627 1.00 0.00 C ATOM 488 O THR 1 37 -2.033 11.162 -0.210 1.00 0.00 O ATOM 489 CB THR 1 37 -0.413 12.546 -2.889 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.762 12.366 -3.283 1.00 0.00 O ATOM 491 CG2 THR 1 37 0.461 11.930 -3.959 1.00 0.00 C ATOM 0 H THR 1 37 -0.382 10.008 -2.221 1.00 0.00 H new ATOM 0 HA THR 1 37 0.658 12.500 -1.025 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.165 13.604 -2.803 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -1.797 12.143 -4.237 1.00 0.00 H new ATOM 0 HG21 THR 1 37 0.235 12.388 -4.922 1.00 0.00 H new ATOM 0 HG22 THR 1 37 1.510 12.099 -3.714 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.269 10.858 -4.013 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.806 13.398 -0.346 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.989 13.690 0.471 1.00 0.00 C ATOM 501 C PRO 1 38 -4.236 12.987 -0.055 1.00 0.00 C ATOM 502 O PRO 1 38 -4.599 13.136 -1.222 1.00 0.00 O ATOM 503 CB PRO 1 38 -3.139 15.209 0.355 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.770 15.700 0.037 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.134 14.629 -0.803 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.874 13.341 1.497 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.848 15.478 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -3.510 15.643 1.284 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.810 16.647 -0.502 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.196 15.875 0.947 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.294 14.804 -1.867 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.056 14.581 -0.646 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.883 12.215 0.811 1.00 0.00 N ATOM 514 CA GLY 1 39 -6.077 11.494 0.413 1.00 0.00 C ATOM 515 C GLY 1 39 -5.798 10.026 0.163 1.00 0.00 C ATOM 516 O GLY 1 39 -6.653 9.173 0.400 1.00 0.00 O ATOM 0 H GLY 1 39 -4.602 12.076 1.782 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.835 11.592 1.190 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.488 11.944 -0.491 1.00 0.00 H new ATOM 520 N SER 1 40 -4.592 9.734 -0.313 1.00 0.00 N ATOM 521 CA SER 1 40 -4.189 8.362 -0.593 1.00 0.00 C ATOM 522 C SER 1 40 -3.300 7.828 0.525 1.00 0.00 C ATOM 523 O SER 1 40 -2.250 8.400 0.818 1.00 0.00 O ATOM 524 CB SER 1 40 -3.449 8.290 -1.929 1.00 0.00 C ATOM 525 OG SER 1 40 -2.078 8.613 -1.772 1.00 0.00 O ATOM 0 H SER 1 40 -3.875 10.432 -0.513 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.085 7.745 -0.651 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.544 7.288 -2.347 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.908 8.977 -2.640 1.00 0.00 H new ATOM 0 HG SER 1 40 -1.595 8.400 -2.598 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.727 6.739 1.153 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.964 6.145 2.246 1.00 0.00 C ATOM 533 C GLN 1 41 -2.426 4.760 1.888 1.00 0.00 C ATOM 534 O GLN 1 41 -1.535 4.247 2.562 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.832 6.052 3.502 1.00 0.00 C ATOM 536 CG GLN 1 41 -4.013 7.381 4.217 1.00 0.00 C ATOM 537 CD GLN 1 41 -4.329 7.212 5.690 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -3.694 7.826 6.547 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -5.315 6.375 5.992 1.00 0.00 N ATOM 0 H GLN 1 41 -4.593 6.251 0.926 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.109 6.794 2.434 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.812 5.660 3.228 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.384 5.336 4.191 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.105 7.974 4.110 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.817 7.940 3.739 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -5.815 5.887 5.249 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -5.572 6.221 6.967 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.979 4.143 0.844 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.550 2.805 0.443 1.00 0.00 C ATOM 550 C CYS 1 42 -1.920 2.780 -0.951 1.00 0.00 C ATOM 551 O CYS 1 42 -0.813 2.273 -1.124 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.733 1.836 0.519 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.027 2.107 -0.735 1.00 0.00 S ATOM 0 H CYS 1 42 -3.718 4.544 0.266 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.773 2.489 1.140 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.357 0.818 0.418 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.184 1.913 1.508 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.635 3.304 -1.940 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.164 3.326 -3.327 1.00 0.00 C ATOM 560 C ASN 1 43 -2.131 1.914 -3.918 1.00 0.00 C ATOM 561 O ASN 1 43 -2.334 1.730 -5.118 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.781 3.982 -3.421 1.00 0.00 C ATOM 563 CG ASN 1 43 -0.070 3.674 -4.727 1.00 0.00 C ATOM 564 OD1 ASN 1 43 1.087 3.255 -4.734 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.761 3.884 -5.842 1.00 0.00 N ATOM 0 H ASN 1 43 -3.555 3.725 -1.808 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.867 3.921 -3.910 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -0.888 5.062 -3.317 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.165 3.641 -2.589 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -0.334 3.697 -6.749 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 -1.718 4.232 -5.791 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.880 0.927 -3.064 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.821 -0.473 -3.481 1.00 0.00 C ATOM 574 C TYR 1 44 -1.431 -1.365 -2.302 1.00 0.00 C ATOM 575 O TYR 1 44 -0.667 -0.951 -1.430 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.825 -0.653 -4.639 1.00 0.00 C ATOM 577 CG TYR 1 44 0.593 -0.958 -4.200 1.00 0.00 C ATOM 578 CD1 TYR 1 44 0.966 -2.248 -3.847 1.00 0.00 C ATOM 579 CD2 TYR 1 44 1.553 0.044 -4.137 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.256 -2.533 -3.445 1.00 0.00 C ATOM 581 CE2 TYR 1 44 2.846 -0.233 -3.736 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.193 -1.522 -3.391 1.00 0.00 C ATOM 583 OH TYR 1 44 4.479 -1.802 -2.991 1.00 0.00 O ATOM 0 H TYR 1 44 -1.712 1.072 -2.068 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.811 -0.768 -3.829 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.175 -1.460 -5.282 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.819 0.255 -5.242 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.235 -3.042 -3.888 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 1.285 1.055 -4.406 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.530 -3.542 -3.174 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 3.582 0.557 -3.693 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.013 -0.981 -3.009 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.953 -2.587 -2.282 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.639 -3.509 -1.204 1.00 0.00 C ATOM 595 C GLY 1 45 -2.858 -4.264 -0.708 1.00 0.00 C ATOM 596 O GLY 1 45 -3.984 -3.965 -1.104 1.00 0.00 O ATOM 0 H GLY 1 45 -2.587 -2.956 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.890 -4.222 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -1.197 -2.956 -0.375 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.634 -5.247 0.162 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.724 -6.045 0.709 1.00 0.00 C ATOM 602 C GLU 1 46 -4.716 -5.166 1.464 1.00 0.00 C ATOM 603 O GLU 1 46 -5.929 -5.317 1.318 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.174 -7.128 1.639 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.903 -8.450 0.938 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.429 -8.670 0.658 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -0.613 -8.472 1.583 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -1.091 -9.041 -0.485 1.00 0.00 O ATOM 0 H GLU 1 46 -1.708 -5.508 0.501 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.246 -6.520 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.250 -6.771 2.093 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.884 -7.294 2.449 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -3.278 -9.267 1.554 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.456 -8.479 -0.001 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.192 -4.250 2.273 1.00 0.00 N ATOM 616 CA CYS 1 47 -5.035 -3.350 3.051 1.00 0.00 C ATOM 617 C CYS 1 47 -5.547 -2.190 2.199 1.00 0.00 C ATOM 618 O CYS 1 47 -6.448 -1.461 2.611 1.00 0.00 O ATOM 619 CB CYS 1 47 -4.264 -2.810 4.258 1.00 0.00 C ATOM 620 SG CYS 1 47 -5.285 -2.558 5.748 1.00 0.00 S ATOM 0 H CYS 1 47 -3.190 -4.112 2.406 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.896 -3.920 3.400 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -3.456 -3.502 4.498 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.801 -1.862 3.984 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.965 -2.011 1.017 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.365 -0.928 0.133 1.00 0.00 C ATOM 627 C CYS 1 48 -6.779 -1.120 -0.405 1.00 0.00 C ATOM 628 O CYS 1 48 -7.154 -2.206 -0.846 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.396 -0.821 -1.043 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.684 0.639 -2.089 1.00 0.00 S ATOM 0 H CYS 1 48 -4.217 -2.601 0.652 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.345 -0.011 0.722 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.376 -0.789 -0.661 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.479 -1.719 -1.655 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.549 -0.036 -0.375 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.921 -0.036 -0.865 1.00 0.00 C ATOM 637 C ASP 1 49 -9.372 1.395 -1.143 1.00 0.00 C ATOM 638 O ASP 1 49 -9.645 2.160 -0.218 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.855 -0.697 0.152 1.00 0.00 C ATOM 640 CG ASP 1 49 -11.299 -0.715 -0.313 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -11.676 -1.655 -1.042 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -12.052 0.212 0.054 1.00 0.00 O ATOM 0 H ASP 1 49 -7.239 0.865 -0.011 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.962 -0.609 -1.791 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.523 -1.719 0.335 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.789 -0.165 1.101 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.432 1.757 -2.421 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.834 3.103 -2.814 1.00 0.00 C ATOM 649 C GLN 1 50 -8.820 4.128 -2.312 1.00 0.00 C ATOM 650 O GLN 1 50 -9.189 5.196 -1.822 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.226 3.429 -2.266 1.00 0.00 C ATOM 652 CG GLN 1 50 -11.912 4.575 -2.991 1.00 0.00 C ATOM 653 CD GLN 1 50 -12.666 4.117 -4.224 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -12.486 2.994 -4.695 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -13.518 4.988 -4.754 1.00 0.00 N ATOM 0 H GLN 1 50 -9.208 1.138 -3.200 1.00 0.00 H new ATOM 0 HA GLN 1 50 -9.869 3.147 -3.903 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.852 2.539 -2.335 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.142 3.678 -1.208 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.604 5.069 -2.309 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -11.166 5.316 -3.280 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.636 5.908 -4.331 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.054 4.736 -5.584 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.541 3.786 -2.431 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.462 4.663 -1.986 1.00 0.00 C ATOM 666 C CYS 1 51 -6.526 4.887 -0.475 1.00 0.00 C ATOM 667 O CYS 1 51 -5.992 5.868 0.039 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.514 6.003 -2.724 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.740 5.968 -4.375 1.00 0.00 S ATOM 0 H CYS 1 51 -7.225 2.904 -2.834 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.516 4.174 -2.220 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.555 6.309 -2.828 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.018 6.760 -2.117 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.176 3.964 0.231 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.302 4.053 1.683 1.00 0.00 C ATOM 676 C ARG 1 52 -7.123 2.677 2.320 1.00 0.00 C ATOM 677 O ARG 1 52 -7.597 1.674 1.788 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.665 4.634 2.065 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.697 6.153 2.077 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.494 6.704 3.479 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.688 7.922 3.477 1.00 0.00 N ATOM 682 CZ ARG 1 52 -7.520 8.701 4.544 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -8.099 8.393 5.697 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -6.770 9.792 4.456 1.00 0.00 N ATOM 0 H ARG 1 52 -7.624 3.145 -0.180 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.521 4.715 2.055 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.416 4.269 1.364 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.944 4.265 3.052 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.920 6.539 1.417 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.652 6.501 1.683 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.464 6.912 3.931 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -8.009 5.949 4.098 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.227 8.192 2.608 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -8.677 7.556 5.770 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -7.967 8.994 6.511 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -6.323 10.033 3.572 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -6.641 10.389 5.273 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.433 2.633 3.457 1.00 0.00 N ATOM 699 CA PHE 1 53 -6.194 1.370 4.149 1.00 0.00 C ATOM 700 C PHE 1 53 -7.479 0.804 4.726 1.00 0.00 C ATOM 701 O PHE 1 53 -8.318 1.539 5.246 1.00 0.00 O ATOM 702 CB PHE 1 53 -5.167 1.542 5.272 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.757 1.681 4.782 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.336 0.999 3.653 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.853 2.491 5.448 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -2.044 1.120 3.197 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.554 2.617 4.996 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.149 1.931 3.867 1.00 0.00 C ATOM 0 H PHE 1 53 -6.032 3.451 3.916 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.802 0.671 3.410 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.427 2.423 5.859 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.227 0.684 5.942 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -4.031 0.364 3.124 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.167 3.030 6.330 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.730 0.581 2.315 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.856 3.250 5.524 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.135 2.029 3.509 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.617 -0.512 4.646 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.790 -1.181 5.178 1.00 0.00 C ATOM 720 C LYS 1 54 -8.751 -1.146 6.700 1.00 0.00 C ATOM 721 O LYS 1 54 -7.889 -1.768 7.317 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.851 -2.626 4.677 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.911 -2.857 3.613 1.00 0.00 C ATOM 724 CD LYS 1 54 -9.499 -3.958 2.648 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.382 -3.502 1.724 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.574 -4.003 0.335 1.00 0.00 N ATOM 0 H LYS 1 54 -6.931 -1.134 4.218 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.685 -0.662 4.834 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.877 -2.903 4.274 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -9.046 -3.287 5.522 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.855 -3.123 4.089 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -10.082 -1.933 3.061 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -9.172 -4.833 3.211 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -10.361 -4.264 2.055 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -8.340 -2.413 1.715 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -7.425 -3.855 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -7.893 -3.538 -0.299 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.421 -5.031 0.313 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.542 -3.790 0.020 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.677 -0.398 7.299 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.746 -0.259 8.754 1.00 0.00 C ATOM 742 C LYS 1 55 -9.357 -1.552 9.465 1.00 0.00 C ATOM 743 O LYS 1 55 -9.875 -2.628 9.151 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.155 0.160 9.176 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.279 0.467 10.659 1.00 0.00 C ATOM 746 CD LYS 1 55 -10.746 1.852 10.988 1.00 0.00 C ATOM 747 CE LYS 1 55 -11.425 2.433 12.218 1.00 0.00 C ATOM 748 NZ LYS 1 55 -12.909 2.370 12.115 1.00 0.00 N ATOM 0 H LYS 1 55 -10.394 0.124 6.796 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.032 0.512 9.045 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.450 1.041 8.605 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.854 -0.635 8.918 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -12.324 0.397 10.960 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.732 -0.280 11.233 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -9.670 1.799 11.156 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -10.903 2.515 10.137 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -11.099 1.888 13.104 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -11.114 3.469 12.349 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -13.324 3.215 12.556 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -13.186 2.331 11.113 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -13.255 1.520 12.603 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.437 -1.438 10.423 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.977 -2.594 11.180 1.00 0.00 C ATOM 764 C ALA 1 56 -9.146 -3.488 11.550 1.00 0.00 C ATOM 765 O ALA 1 56 -10.172 -3.018 12.042 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.236 -2.162 12.432 1.00 0.00 C ATOM 0 H ALA 1 56 -7.998 -0.557 10.690 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.289 -3.157 10.549 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.903 -3.043 12.980 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.371 -1.559 12.153 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.901 -1.572 13.063 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.997 -4.771 11.286 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.064 -5.707 11.572 1.00 0.00 C ATOM 774 C GLY 1 57 -10.613 -6.325 10.305 1.00 0.00 C ATOM 775 O GLY 1 57 -11.351 -7.309 10.353 1.00 0.00 O ATOM 0 H GLY 1 57 -8.158 -5.185 10.879 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.694 -6.493 12.231 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.865 -5.195 12.105 1.00 0.00 H new ATOM 779 N THR 1 58 -10.236 -5.752 9.163 1.00 0.00 N ATOM 780 CA THR 1 58 -10.673 -6.262 7.874 1.00 0.00 C ATOM 781 C THR 1 58 -9.829 -7.472 7.483 1.00 0.00 C ATOM 782 O THR 1 58 -8.666 -7.330 7.106 1.00 0.00 O ATOM 783 CB THR 1 58 -10.552 -5.172 6.808 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.349 -4.050 7.143 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.968 -5.635 5.432 1.00 0.00 C ATOM 0 H THR 1 58 -9.629 -4.934 9.109 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.717 -6.565 7.948 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.494 -4.910 6.782 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.896 -3.521 7.832 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.858 -4.814 4.723 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -10.337 -6.469 5.122 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -12.009 -5.957 5.456 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.413 -8.661 7.586 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.702 -9.887 7.255 1.00 0.00 C ATOM 795 C VAL 1 59 -9.245 -9.887 5.802 1.00 0.00 C ATOM 796 O VAL 1 59 -10.057 -9.768 4.884 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.570 -11.137 7.507 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.835 -11.090 6.664 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.779 -12.407 7.224 1.00 0.00 C ATOM 0 H VAL 1 59 -11.375 -8.800 7.896 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.830 -9.924 7.908 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.861 -11.145 8.557 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.434 -11.980 6.856 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.412 -10.202 6.923 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.567 -11.054 5.608 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.409 -13.277 7.408 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.453 -12.408 6.184 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.907 -12.446 7.877 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.942 -10.032 5.602 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.377 -10.059 4.255 1.00 0.00 C ATOM 811 C CYS 1 60 -6.856 -11.452 3.914 1.00 0.00 C ATOM 812 O CYS 1 60 -6.770 -11.823 2.743 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.237 -9.041 4.113 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.243 -7.697 5.343 1.00 0.00 S ATOM 0 H CYS 1 60 -7.257 -10.133 6.351 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.175 -9.794 3.561 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.287 -9.571 4.181 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -6.286 -8.601 3.117 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.503 -12.214 4.943 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.981 -13.565 4.751 1.00 0.00 C ATOM 821 C ARG 1 61 -6.259 -14.448 5.967 1.00 0.00 C ATOM 822 O ARG 1 61 -6.639 -13.960 7.031 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.475 -13.515 4.472 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.915 -14.810 3.905 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.522 -14.617 3.321 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.698 -13.720 4.128 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.591 -12.411 3.918 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -2.277 -11.824 2.945 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.797 -11.685 4.692 1.00 0.00 N ATOM 0 H ARG 1 61 -6.568 -11.921 5.918 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.492 -14.002 3.893 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.271 -12.704 3.773 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.951 -13.277 5.398 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -3.878 -15.565 4.691 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.584 -15.187 3.132 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.028 -15.585 3.240 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.607 -14.217 2.311 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.171 -14.124 4.902 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -2.893 -12.377 2.350 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -2.188 -10.819 2.792 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.272 -12.131 5.444 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.711 -10.681 4.535 1.00 0.00 H new ATOM 843 N ILE 1 62 -6.064 -15.752 5.797 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.282 -16.718 6.865 1.00 0.00 C ATOM 845 C ILE 1 62 -5.417 -17.948 6.637 1.00 0.00 C ATOM 846 O ILE 1 62 -5.472 -18.570 5.576 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.756 -17.169 6.966 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.710 -15.984 6.810 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.001 -17.869 8.294 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.831 -15.489 5.388 1.00 0.00 C ATOM 0 H ILE 1 62 -5.752 -16.166 4.919 1.00 0.00 H new ATOM 0 HA ILE 1 62 -6.013 -16.220 7.797 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.951 -17.868 6.153 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.697 -16.273 7.171 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.366 -15.166 7.443 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.043 -18.182 8.353 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.355 -18.743 8.369 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.781 -17.184 9.113 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -9.524 -14.648 5.353 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.853 -15.168 5.030 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -9.204 -16.293 4.753 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.615 -18.288 7.634 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.724 -19.442 7.549 1.00 0.00 C ATOM 864 C ALA 1 63 -4.433 -20.656 6.958 1.00 0.00 C ATOM 865 O ALA 1 63 -4.143 -21.068 5.834 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.151 -19.770 8.919 1.00 0.00 C ATOM 0 H ALA 1 63 -4.561 -17.780 8.517 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.905 -19.182 6.879 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.489 -20.632 8.840 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.589 -18.914 9.293 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.964 -19.999 9.608 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.364 -21.223 7.716 1.00 0.00 N ATOM 873 CA ARG 1 64 -6.113 -22.391 7.253 1.00 0.00 C ATOM 874 C ARG 1 64 -7.102 -22.877 8.310 1.00 0.00 C ATOM 875 O ARG 1 64 -6.940 -23.957 8.878 1.00 0.00 O ATOM 876 CB ARG 1 64 -5.155 -23.526 6.876 1.00 0.00 C ATOM 877 CG ARG 1 64 -5.586 -24.301 5.642 1.00 0.00 C ATOM 878 CD ARG 1 64 -5.512 -23.441 4.391 1.00 0.00 C ATOM 879 NE ARG 1 64 -6.514 -23.828 3.401 1.00 0.00 N ATOM 880 CZ ARG 1 64 -6.788 -23.120 2.307 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -6.139 -21.990 2.060 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -7.714 -23.544 1.458 1.00 0.00 N ATOM 0 H ARG 1 64 -5.619 -20.898 8.648 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.679 -22.090 6.371 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -4.162 -23.110 6.705 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -5.072 -24.215 7.717 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -4.949 -25.177 5.521 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -6.605 -24.663 5.776 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -5.655 -22.395 4.661 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -4.518 -23.524 3.952 1.00 0.00 H new ATOM 0 HE ARG 1 64 -7.034 -24.691 3.557 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -5.426 -21.659 2.710 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -6.353 -21.452 1.220 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -8.216 -24.412 1.643 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -7.924 -23.002 0.620 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.131 -22.078 8.563 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.130 -22.453 9.546 1.00 0.00 C ATOM 898 C GLY 1 65 -9.740 -21.255 10.242 1.00 0.00 C ATOM 899 O GLY 1 65 -10.454 -20.465 9.625 1.00 0.00 O ATOM 0 H GLY 1 65 -8.292 -21.180 8.107 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.919 -23.025 9.057 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.675 -23.108 10.289 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.457 -21.121 11.531 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.980 -20.011 12.317 1.00 0.00 C ATOM 905 C ASP 1 66 -9.307 -19.947 13.683 1.00 0.00 C ATOM 906 O ASP 1 66 -9.846 -20.432 14.678 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.495 -20.144 12.485 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.908 -21.536 12.923 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.813 -22.470 12.100 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.328 -21.691 14.089 1.00 0.00 O ATOM 0 H ASP 1 66 -8.868 -21.768 12.055 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.763 -19.086 11.782 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.842 -19.417 13.220 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.985 -19.902 11.542 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.125 -19.346 13.719 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.364 -19.212 14.957 1.00 0.00 C ATOM 917 C TRP 1 67 -7.123 -17.743 15.273 1.00 0.00 C ATOM 918 O TRP 1 67 -7.682 -17.195 16.223 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.022 -19.947 14.834 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.746 -20.461 13.455 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.409 -19.726 12.355 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.792 -21.823 13.030 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.246 -20.551 11.272 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.474 -21.844 11.661 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -6.072 -23.027 13.676 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.427 -23.023 10.926 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -6.026 -24.200 12.947 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.705 -24.191 11.583 1.00 0.00 C ATOM 0 H TRP 1 67 -7.669 -18.941 12.901 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.940 -19.657 15.769 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.219 -19.272 15.129 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.009 -20.783 15.534 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.289 -18.653 12.340 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.996 -20.251 10.330 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.320 -23.042 14.727 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.180 -23.017 9.875 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.241 -25.139 13.436 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.676 -25.124 11.040 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.294 -17.116 14.454 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.970 -15.703 14.613 1.00 0.00 C ATOM 941 C ASN 1 68 -6.502 -14.908 13.426 1.00 0.00 C ATOM 942 O ASN 1 68 -6.964 -13.777 13.578 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.457 -15.502 14.739 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.774 -16.633 15.484 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.445 -16.506 16.663 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -3.558 -17.749 14.797 1.00 0.00 N ATOM 0 H ASN 1 68 -5.829 -17.566 13.666 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.443 -15.344 15.527 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -4.023 -15.414 13.743 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.262 -14.562 15.256 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.103 -18.544 15.246 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.847 -17.811 13.821 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.439 -15.517 12.244 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.921 -14.884 11.022 1.00 0.00 C ATOM 955 C ASP 1 69 -6.138 -13.620 10.700 1.00 0.00 C ATOM 956 O ASP 1 69 -5.856 -12.812 11.583 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.398 -14.533 11.157 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.308 -15.688 10.788 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.222 -16.746 11.447 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.107 -15.535 9.840 1.00 0.00 O ATOM 0 H ASP 1 69 -6.057 -16.453 12.108 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.780 -15.597 10.209 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.603 -14.228 12.183 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.624 -13.679 10.519 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.808 -13.445 9.427 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.075 -12.266 8.990 1.00 0.00 C ATOM 967 C ASP 1 70 -5.990 -11.053 8.991 1.00 0.00 C ATOM 968 O ASP 1 70 -7.114 -11.117 8.491 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.494 -12.483 7.596 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.359 -11.535 7.293 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.496 -10.336 7.609 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.335 -11.992 6.745 1.00 0.00 O ATOM 0 H ASP 1 70 -6.036 -14.103 8.682 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.253 -12.092 9.684 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.139 -13.510 7.509 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.281 -12.353 6.853 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.524 -9.955 9.575 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.345 -8.758 9.655 1.00 0.00 C ATOM 979 C TYR 1 71 -5.579 -7.477 9.389 1.00 0.00 C ATOM 980 O TYR 1 71 -4.415 -7.334 9.759 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.985 -8.680 11.031 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.214 -9.528 11.138 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.381 -9.144 10.510 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.204 -10.715 11.850 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.519 -9.911 10.588 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.335 -11.497 11.935 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.495 -11.092 11.304 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.628 -11.869 11.385 1.00 0.00 O ATOM 0 H TYR 1 71 -4.597 -9.871 9.993 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.098 -8.843 8.872 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.262 -8.996 11.783 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.242 -7.644 11.251 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.401 -8.223 9.946 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.298 -11.032 12.345 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.425 -9.593 10.093 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.315 -12.422 12.492 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.441 -12.665 11.925 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.275 -6.536 8.766 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.716 -5.232 8.458 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.357 -4.494 9.743 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.855 -4.828 10.818 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.735 -4.414 7.665 1.00 0.00 C ATOM 1003 SG CYS 1 72 -6.365 -4.271 5.891 1.00 0.00 S ATOM 0 H CYS 1 72 -7.241 -6.657 8.461 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.812 -5.366 7.864 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -7.719 -4.868 7.783 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.792 -3.413 8.094 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.499 -3.489 9.625 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.084 -2.704 10.782 1.00 0.00 C ATOM 1010 C THR 1 73 -4.441 -1.227 10.612 1.00 0.00 C ATOM 1011 O THR 1 73 -4.228 -0.422 11.519 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.581 -2.859 11.007 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.850 -2.204 9.986 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.137 -4.305 11.037 1.00 0.00 C ATOM 0 H THR 1 73 -4.077 -3.198 8.743 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.620 -3.080 11.654 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.381 -2.410 11.980 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.890 -2.314 10.149 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.060 -4.352 11.200 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.649 -4.826 11.846 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.381 -4.780 10.087 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.987 -0.875 9.449 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.364 0.504 9.193 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.200 1.468 9.328 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.401 2.672 9.485 1.00 0.00 O ATOM 0 H GLY 1 74 -5.174 -1.520 8.681 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.779 0.582 8.188 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.153 0.795 9.887 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.981 0.941 9.267 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.784 1.768 9.384 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.751 1.402 8.320 1.00 0.00 C ATOM 1032 O LYS 1 75 0.385 1.873 8.359 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.169 1.615 10.776 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.195 1.624 11.898 1.00 0.00 C ATOM 1035 CD LYS 1 75 -1.784 2.559 13.023 1.00 0.00 C ATOM 1036 CE LYS 1 75 -2.363 2.115 14.356 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -2.035 0.694 14.659 1.00 0.00 N ATOM 0 H LYS 1 75 -2.796 -0.054 9.137 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.080 2.806 9.231 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.608 0.682 10.816 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.456 2.423 10.940 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -3.164 1.932 11.504 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.316 0.614 12.289 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -0.697 2.593 13.091 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -2.121 3.571 12.798 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -1.977 2.754 15.150 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -3.445 2.243 14.342 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -1.805 0.598 15.669 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -2.853 0.093 14.431 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -1.218 0.397 14.089 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.150 0.560 7.371 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.258 0.133 6.303 1.00 0.00 C ATOM 1053 C SER 1 76 -1.005 -0.732 5.295 1.00 0.00 C ATOM 1054 O SER 1 76 -2.123 -1.177 5.553 1.00 0.00 O ATOM 1055 CB SER 1 76 0.927 -0.643 6.879 1.00 0.00 C ATOM 1056 OG SER 1 76 0.577 -1.279 8.097 1.00 0.00 O ATOM 0 H SER 1 76 -2.087 0.161 7.322 1.00 0.00 H new ATOM 0 HA SER 1 76 0.115 1.021 5.793 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.262 -1.389 6.159 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.763 0.036 7.047 1.00 0.00 H new ATOM 0 HG SER 1 76 1.351 -1.770 8.444 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.378 -0.974 4.149 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.984 -1.796 3.107 1.00 0.00 C ATOM 1064 C SER 1 77 -0.689 -3.276 3.338 1.00 0.00 C ATOM 1065 O SER 1 77 -0.915 -4.106 2.457 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.469 -1.373 1.729 1.00 0.00 C ATOM 1067 OG SER 1 77 -1.545 -1.096 0.849 1.00 0.00 O ATOM 0 H SER 1 77 0.548 -0.614 3.918 1.00 0.00 H new ATOM 0 HA SER 1 77 -2.063 -1.648 3.147 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.162 -0.489 1.828 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.154 -2.164 1.311 1.00 0.00 H new ATOM 0 HG SER 1 77 -1.206 -0.636 0.053 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.177 -3.601 4.522 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.153 -4.979 4.855 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.916 -5.603 5.743 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.543 -4.924 6.556 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.513 -5.044 5.552 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.653 -4.648 4.634 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.971 -3.441 4.570 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.227 -5.543 3.979 1.00 0.00 O ATOM 0 H ASP 1 78 0.017 -2.929 5.264 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.198 -5.547 3.926 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.505 -4.386 6.421 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.681 -6.056 5.920 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.111 -6.905 5.578 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.097 -7.643 6.356 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.445 -8.851 7.027 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.217 -9.873 6.385 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.237 -8.102 5.445 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.446 -6.796 5.062 1.00 0.00 S ATOM 0 H CYS 1 79 -0.595 -7.475 4.907 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.499 -6.989 7.130 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.815 -8.478 4.513 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.755 -8.935 5.919 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.121 -8.748 8.328 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.478 -9.839 9.073 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.439 -10.973 9.439 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.503 -10.739 10.010 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.017 -9.137 10.338 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.950 -8.025 10.546 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.336 -7.555 9.171 1.00 0.00 C ATOM 0 HA PRO 1 80 0.302 -10.323 8.485 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 0.031 -9.816 11.190 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.033 -8.762 10.213 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.823 -8.365 11.102 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.499 -7.218 11.123 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.373 -7.221 9.137 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.720 -6.717 8.845 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.042 -12.207 9.112 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.850 -13.404 9.410 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.433 -13.347 10.819 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.494 -13.904 11.086 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.012 -14.690 9.297 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.327 -14.521 8.645 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.447 -13.949 9.179 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.681 -14.947 7.334 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.475 -13.989 8.267 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 2.027 -14.600 7.125 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.018 -15.587 6.319 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.687 -14.878 5.931 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.633 -15.865 5.132 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.976 -15.511 4.947 1.00 0.00 C ATOM 0 H TRP 1 81 -0.161 -12.408 8.638 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.655 -13.419 8.676 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.863 -15.097 10.297 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.582 -15.429 8.734 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.515 -13.528 10.171 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.416 -13.624 8.416 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.053 -15.863 6.455 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.722 -14.604 5.786 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 0.099 -16.362 4.336 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 2.460 -15.742 4.010 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.694 -12.695 11.710 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.061 -12.555 13.124 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.542 -13.743 13.929 1.00 0.00 C ATOM 1136 O ASN 1 82 -2.118 -14.113 14.951 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.576 -12.420 13.320 1.00 0.00 C ATOM 1138 CG ASN 1 82 -4.111 -11.093 12.821 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -4.312 -10.901 11.623 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -4.345 -10.166 13.743 1.00 0.00 N ATOM 0 H ASN 1 82 -0.812 -12.242 11.473 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.596 -11.637 13.484 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.080 -13.232 12.796 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.813 -12.529 14.378 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -4.706 -9.252 13.468 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -4.164 -10.368 14.726 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.448 -14.335 13.459 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.152 -15.481 14.132 1.00 0.00 C ATOM 1149 C HIS 1 83 1.394 -15.065 14.915 1.00 0.00 C ATOM 1150 O HIS 1 83 1.730 -13.863 14.893 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.515 -16.561 13.111 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.591 -16.864 12.149 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -0.371 -17.297 10.859 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -1.935 -16.789 12.295 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -1.532 -17.474 10.253 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -2.496 -17.174 11.103 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.019 -15.946 15.543 1.00 0.00 O ATOM 0 H HIS 1 83 0.041 -14.039 12.614 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.578 -15.883 14.835 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.395 -16.242 12.553 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.787 -17.474 13.640 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -2.467 -16.483 13.184 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -1.669 -17.808 9.235 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -3.496 -17.221 10.906 1.00 0.00 H new TER 1166 HIS 1 83