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= -2.9! K(o=-8.5!,f=-5.8) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -5.57 K(o=-8.5,f=-9.5!) USER MOD Set 2.1: 1 37 THR OG1 : rot -32:sc= 0.325 USER MOD Set 2.2: 1 40 SER OG : rot 32:sc= 0.857 USER MOD Single : 1 1 SER N :NH3+ -143:sc= -0.012 (180deg=-0.232) USER MOD Single : 1 1 SER OG : rot 180:sc= 0 USER MOD Single : 1 7 ASN : amide:sc= -4.09! C(o=-4.1!,f=-7!) USER MOD Single : 1 8 LYS NZ :NH3+ 175:sc= -1.26 (180deg=-1.6) USER MOD Single : 1 12 GLN : amide:sc= -2.2 K(o=-2.2,f=-3.5!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc=-0.00891 X(o=-0.0089,f=-0.43) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN : amide:sc= -3.16 K(o=-3.2,f=-3.8) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00356) USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 43 ASN : amide:sc= -4.97! C(o=-5!,f=-14!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 154:sc= 0.486 (180deg=0.0571) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 78:sc= 0.892 USER MOD Single : 1 71 TYR OH : rot 133:sc= 0.0129 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ 163:sc=-0.00513 (180deg=-0.0802) USER MOD Single : 1 76 SER OG : rot 35:sc= 1.22 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= 0 X(o=0,f=0.025) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 19.679 1.269 -12.178 1.00 0.00 N ATOM 2 CA SER 1 1 19.335 1.869 -10.863 1.00 0.00 C ATOM 3 C SER 1 1 17.861 1.653 -10.526 1.00 0.00 C ATOM 4 O SER 1 1 17.062 2.588 -10.570 1.00 0.00 O ATOM 5 CB SER 1 1 19.653 3.365 -10.912 1.00 0.00 C ATOM 6 OG SER 1 1 19.887 3.880 -9.612 1.00 0.00 O ATOM 0 H1 SER 1 1 20.635 0.862 -12.134 1.00 0.00 H new ATOM 0 H2 SER 1 1 18.994 0.521 -12.408 1.00 0.00 H new ATOM 0 H3 SER 1 1 19.649 2.004 -12.913 1.00 0.00 H new ATOM 0 HA SER 1 1 19.923 1.385 -10.083 1.00 0.00 H new ATOM 0 HB2 SER 1 1 20.530 3.533 -11.536 1.00 0.00 H new ATOM 0 HB3 SER 1 1 18.825 3.901 -11.375 1.00 0.00 H new ATOM 0 HG SER 1 1 20.089 4.837 -9.671 1.00 0.00 H new ATOM 14 N PRO 1 2 17.480 0.407 -10.187 1.00 0.00 N ATOM 15 CA PRO 1 2 16.103 0.054 -9.844 1.00 0.00 C ATOM 16 C PRO 1 2 15.412 1.118 -8.989 1.00 0.00 C ATOM 17 O PRO 1 2 14.326 1.587 -9.332 1.00 0.00 O ATOM 18 CB PRO 1 2 16.242 -1.262 -9.059 1.00 0.00 C ATOM 19 CG PRO 1 2 17.700 -1.620 -9.073 1.00 0.00 C ATOM 20 CD PRO 1 2 18.360 -0.762 -10.117 1.00 0.00 C ATOM 0 HA PRO 1 2 15.483 -0.033 -10.736 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 15.882 -1.143 -8.037 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 15.645 -2.051 -9.517 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 18.148 -1.447 -8.094 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 17.834 -2.677 -9.303 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 19.375 -0.487 -9.830 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 18.428 -1.274 -11.077 1.00 0.00 H new ATOM 28 N PRO 1 3 16.031 1.517 -7.863 1.00 0.00 N ATOM 29 CA PRO 1 3 15.465 2.528 -6.971 1.00 0.00 C ATOM 30 C PRO 1 3 15.653 3.939 -7.508 1.00 0.00 C ATOM 31 O PRO 1 3 16.577 4.647 -7.108 1.00 0.00 O ATOM 32 CB PRO 1 3 16.261 2.337 -5.682 1.00 0.00 C ATOM 33 CG PRO 1 3 17.586 1.831 -6.132 1.00 0.00 C ATOM 34 CD PRO 1 3 17.328 1.017 -7.373 1.00 0.00 C ATOM 0 HA PRO 1 3 14.388 2.412 -6.847 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 16.360 3.274 -5.134 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 15.771 1.628 -5.015 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 18.266 2.656 -6.343 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 18.053 1.222 -5.358 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 18.116 1.157 -8.113 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 17.286 -0.049 -7.150 1.00 0.00 H new ATOM 42 N VAL 1 4 14.774 4.349 -8.417 1.00 0.00 N ATOM 43 CA VAL 1 4 14.849 5.683 -9.003 1.00 0.00 C ATOM 44 C VAL 1 4 13.577 6.489 -8.747 1.00 0.00 C ATOM 45 O VAL 1 4 12.515 6.172 -9.282 1.00 0.00 O ATOM 46 CB VAL 1 4 15.108 5.618 -10.521 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.600 5.680 -10.810 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.496 4.360 -11.120 1.00 0.00 C ATOM 0 H VAL 1 4 14.003 3.778 -8.763 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.686 6.184 -8.517 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.632 6.481 -10.986 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.764 5.633 -11.887 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 17.007 6.613 -10.421 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 17.099 4.838 -10.330 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.691 4.335 -12.192 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 14.938 3.481 -10.650 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 13.420 4.361 -10.947 1.00 0.00 H new ATOM 58 N CYS 1 5 13.698 7.549 -7.950 1.00 0.00 N ATOM 59 CA CYS 1 5 12.559 8.414 -7.660 1.00 0.00 C ATOM 60 C CYS 1 5 12.375 9.381 -8.823 1.00 0.00 C ATOM 61 O CYS 1 5 13.171 10.300 -9.014 1.00 0.00 O ATOM 62 CB CYS 1 5 12.777 9.171 -6.341 1.00 0.00 C ATOM 63 SG CYS 1 5 11.777 10.690 -6.137 1.00 0.00 S ATOM 0 H CYS 1 5 14.568 7.827 -7.497 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.657 7.813 -7.544 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.557 8.497 -5.513 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 13.831 9.437 -6.264 1.00 0.00 H new ATOM 68 N GLY 1 6 11.346 9.138 -9.622 1.00 0.00 N ATOM 69 CA GLY 1 6 11.101 9.958 -10.787 1.00 0.00 C ATOM 70 C GLY 1 6 11.380 9.174 -12.050 1.00 0.00 C ATOM 71 O GLY 1 6 11.783 9.731 -13.072 1.00 0.00 O ATOM 0 H GLY 1 6 10.674 8.383 -9.482 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.067 10.303 -10.786 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.733 10.845 -10.755 1.00 0.00 H new ATOM 75 N ASN 1 7 11.170 7.863 -11.960 1.00 0.00 N ATOM 76 CA ASN 1 7 11.398 6.954 -13.069 1.00 0.00 C ATOM 77 C ASN 1 7 10.179 6.060 -13.278 1.00 0.00 C ATOM 78 O ASN 1 7 10.192 5.152 -14.109 1.00 0.00 O ATOM 79 CB ASN 1 7 12.633 6.097 -12.783 1.00 0.00 C ATOM 80 CG ASN 1 7 13.069 5.283 -13.987 1.00 0.00 C ATOM 81 OD1 ASN 1 7 12.454 4.273 -14.326 1.00 0.00 O ATOM 82 ND2 ASN 1 7 14.139 5.722 -14.640 1.00 0.00 N ATOM 0 H ASN 1 7 10.836 7.405 -11.112 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.564 7.534 -13.977 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 13.453 6.742 -12.469 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.420 5.424 -11.952 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.481 5.216 -15.457 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 14.619 6.565 -14.324 1.00 0.00 H new ATOM 89 N LYS 1 8 9.127 6.327 -12.507 1.00 0.00 N ATOM 90 CA LYS 1 8 7.890 5.563 -12.579 1.00 0.00 C ATOM 91 C LYS 1 8 8.020 4.232 -11.843 1.00 0.00 C ATOM 92 O LYS 1 8 7.207 3.328 -12.035 1.00 0.00 O ATOM 93 CB LYS 1 8 7.476 5.313 -14.034 1.00 0.00 C ATOM 94 CG LYS 1 8 7.750 6.485 -14.963 1.00 0.00 C ATOM 95 CD LYS 1 8 6.492 6.928 -15.693 1.00 0.00 C ATOM 96 CE LYS 1 8 6.215 6.056 -16.907 1.00 0.00 C ATOM 97 NZ LYS 1 8 6.360 4.607 -16.595 1.00 0.00 N ATOM 0 H LYS 1 8 9.111 7.078 -11.817 1.00 0.00 H new ATOM 0 HA LYS 1 8 7.116 6.157 -12.093 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 8.005 4.436 -14.406 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.412 5.080 -14.064 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 8.150 7.320 -14.388 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 8.513 6.204 -15.689 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 5.642 6.886 -15.012 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 6.599 7.966 -16.007 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 5.206 6.250 -17.270 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 6.900 6.325 -17.711 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 6.081 4.044 -17.424 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 7.351 4.401 -16.354 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 5.750 4.363 -15.789 1.00 0.00 H new ATOM 111 N ILE 1 9 9.041 4.113 -10.996 1.00 0.00 N ATOM 112 CA ILE 1 9 9.257 2.888 -10.237 1.00 0.00 C ATOM 113 C ILE 1 9 9.291 3.169 -8.745 1.00 0.00 C ATOM 114 O ILE 1 9 10.213 3.817 -8.251 1.00 0.00 O ATOM 115 CB ILE 1 9 10.579 2.178 -10.617 1.00 0.00 C ATOM 116 CG1 ILE 1 9 11.316 2.935 -11.721 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.314 0.741 -11.033 1.00 0.00 C ATOM 118 CD1 ILE 1 9 12.616 2.279 -12.137 1.00 0.00 C ATOM 0 H ILE 1 9 9.727 4.847 -10.820 1.00 0.00 H new ATOM 0 HA ILE 1 9 8.420 2.236 -10.486 1.00 0.00 H new ATOM 0 HB ILE 1 9 11.220 2.168 -9.736 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.665 3.018 -12.591 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 11.523 3.949 -11.380 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.255 0.259 -11.296 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 9.849 0.203 -10.207 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.647 0.729 -11.895 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 13.086 2.869 -12.924 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 13.285 2.220 -11.278 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 12.414 1.274 -12.509 1.00 0.00 H new ATOM 130 N LEU 1 10 8.307 2.654 -8.022 1.00 0.00 N ATOM 131 CA LEU 1 10 8.266 2.831 -6.580 1.00 0.00 C ATOM 132 C LEU 1 10 9.323 1.940 -5.940 1.00 0.00 C ATOM 133 O LEU 1 10 9.012 1.059 -5.138 1.00 0.00 O ATOM 134 CB LEU 1 10 6.878 2.486 -6.034 1.00 0.00 C ATOM 135 CG LEU 1 10 6.271 1.192 -6.582 1.00 0.00 C ATOM 136 CD1 LEU 1 10 5.560 0.425 -5.478 1.00 0.00 C ATOM 137 CD2 LEU 1 10 5.314 1.496 -7.727 1.00 0.00 C ATOM 0 H LEU 1 10 7.532 2.114 -8.408 1.00 0.00 H new ATOM 0 HA LEU 1 10 8.473 3.874 -6.339 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 6.940 2.409 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 6.201 3.310 -6.257 1.00 0.00 H new ATOM 0 HG LEU 1 10 7.078 0.568 -6.965 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 5.135 -0.492 -5.887 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 6.272 0.175 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 4.762 1.041 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 4.891 0.565 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 4.511 2.140 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.854 2.001 -8.528 1.00 0.00 H new ATOM 149 N GLU 1 11 10.578 2.165 -6.322 1.00 0.00 N ATOM 150 CA GLU 1 11 11.687 1.375 -5.811 1.00 0.00 C ATOM 151 C GLU 1 11 12.616 2.225 -4.958 1.00 0.00 C ATOM 152 O GLU 1 11 13.106 1.766 -3.927 1.00 0.00 O ATOM 153 CB GLU 1 11 12.465 0.746 -6.969 1.00 0.00 C ATOM 154 CG GLU 1 11 13.633 -0.116 -6.520 1.00 0.00 C ATOM 155 CD GLU 1 11 13.209 -1.232 -5.586 1.00 0.00 C ATOM 156 OE1 GLU 1 11 12.342 -2.039 -5.981 1.00 0.00 O ATOM 157 OE2 GLU 1 11 13.744 -1.299 -4.459 1.00 0.00 O ATOM 0 H GLU 1 11 10.849 2.891 -6.986 1.00 0.00 H new ATOM 0 HA GLU 1 11 11.278 0.583 -5.184 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.784 0.139 -7.566 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 12.837 1.538 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 14.120 -0.545 -7.395 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 14.371 0.511 -6.020 1.00 0.00 H new ATOM 164 N GLN 1 12 12.863 3.460 -5.390 1.00 0.00 N ATOM 165 CA GLN 1 12 13.744 4.361 -4.646 1.00 0.00 C ATOM 166 C GLN 1 12 13.151 4.735 -3.281 1.00 0.00 C ATOM 167 O GLN 1 12 12.942 5.911 -2.992 1.00 0.00 O ATOM 168 CB GLN 1 12 14.009 5.627 -5.465 1.00 0.00 C ATOM 169 CG GLN 1 12 14.889 6.648 -4.756 1.00 0.00 C ATOM 170 CD GLN 1 12 16.306 6.675 -5.295 1.00 0.00 C ATOM 171 OE1 GLN 1 12 17.112 5.792 -4.999 1.00 0.00 O ATOM 172 NE2 GLN 1 12 16.620 7.695 -6.085 1.00 0.00 N ATOM 0 H GLN 1 12 12.470 3.858 -6.243 1.00 0.00 H new ATOM 0 HA GLN 1 12 14.683 3.837 -4.469 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 14.481 5.347 -6.407 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 13.056 6.094 -5.713 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.446 7.638 -4.861 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.914 6.422 -3.690 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.921 8.404 -6.304 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 17.561 7.769 -6.473 1.00 0.00 H new ATOM 181 N GLY 1 13 12.894 3.731 -2.439 1.00 0.00 N ATOM 182 CA GLY 1 13 12.338 3.977 -1.114 1.00 0.00 C ATOM 183 C GLY 1 13 11.311 5.096 -1.096 1.00 0.00 C ATOM 184 O GLY 1 13 11.236 5.863 -0.136 1.00 0.00 O ATOM 0 H GLY 1 13 13.062 2.748 -2.653 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 11.875 3.062 -0.745 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 13.148 4.224 -0.427 1.00 0.00 H new ATOM 188 N GLU 1 14 10.529 5.194 -2.164 1.00 0.00 N ATOM 189 CA GLU 1 14 9.511 6.233 -2.275 1.00 0.00 C ATOM 190 C GLU 1 14 8.138 5.711 -1.857 1.00 0.00 C ATOM 191 O GLU 1 14 7.533 6.222 -0.915 1.00 0.00 O ATOM 192 CB GLU 1 14 9.464 6.761 -3.710 1.00 0.00 C ATOM 193 CG GLU 1 14 10.807 7.261 -4.224 1.00 0.00 C ATOM 194 CD GLU 1 14 11.518 8.177 -3.240 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.842 8.744 -2.357 1.00 0.00 O ATOM 196 OE2 GLU 1 14 12.753 8.326 -3.354 1.00 0.00 O ATOM 0 H GLU 1 14 10.580 4.566 -2.966 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.777 7.046 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 9.106 5.969 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.739 7.573 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 11.447 6.406 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.655 7.794 -5.163 1.00 0.00 H new ATOM 203 N ASP 1 15 7.655 4.695 -2.571 1.00 0.00 N ATOM 204 CA ASP 1 15 6.348 4.088 -2.291 1.00 0.00 C ATOM 205 C ASP 1 15 5.228 4.858 -2.985 1.00 0.00 C ATOM 206 O ASP 1 15 4.065 4.770 -2.594 1.00 0.00 O ATOM 207 CB ASP 1 15 6.080 4.024 -0.784 1.00 0.00 C ATOM 208 CG ASP 1 15 5.202 2.848 -0.402 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.963 2.991 -0.454 1.00 0.00 O ATOM 210 OD2 ASP 1 15 5.755 1.784 -0.051 1.00 0.00 O ATOM 0 H ASP 1 15 8.151 4.270 -3.354 1.00 0.00 H new ATOM 0 HA ASP 1 15 6.369 3.071 -2.683 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 7.029 3.954 -0.252 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 5.602 4.950 -0.463 1.00 0.00 H new ATOM 215 N CYS 1 16 5.593 5.607 -4.020 1.00 0.00 N ATOM 216 CA CYS 1 16 4.640 6.398 -4.789 1.00 0.00 C ATOM 217 C CYS 1 16 5.385 7.248 -5.806 1.00 0.00 C ATOM 218 O CYS 1 16 5.348 8.478 -5.764 1.00 0.00 O ATOM 219 CB CYS 1 16 3.790 7.269 -3.864 1.00 0.00 C ATOM 220 SG CYS 1 16 2.098 6.643 -3.603 1.00 0.00 S ATOM 0 H CYS 1 16 6.556 5.683 -4.349 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.966 5.726 -5.321 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 4.289 7.350 -2.898 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.734 8.275 -4.280 1.00 0.00 H new ATOM 225 N ASP 1 17 6.082 6.567 -6.709 1.00 0.00 N ATOM 226 CA ASP 1 17 6.870 7.227 -7.738 1.00 0.00 C ATOM 227 C ASP 1 17 6.014 7.665 -8.921 1.00 0.00 C ATOM 228 O ASP 1 17 4.900 7.179 -9.118 1.00 0.00 O ATOM 229 CB ASP 1 17 7.983 6.293 -8.217 1.00 0.00 C ATOM 230 CG ASP 1 17 9.360 6.856 -7.940 1.00 0.00 C ATOM 231 OD1 ASP 1 17 9.589 8.037 -8.267 1.00 0.00 O ATOM 232 OD2 ASP 1 17 10.207 6.119 -7.394 1.00 0.00 O ATOM 0 H ASP 1 17 6.116 5.548 -6.747 1.00 0.00 H new ATOM 0 HA ASP 1 17 7.304 8.124 -7.297 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.881 5.326 -7.723 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.872 6.118 -9.287 1.00 0.00 H new ATOM 237 N CYS 1 18 6.560 8.587 -9.704 1.00 0.00 N ATOM 238 CA CYS 1 18 5.883 9.114 -10.881 1.00 0.00 C ATOM 239 C CYS 1 18 6.911 9.688 -11.854 1.00 0.00 C ATOM 240 O CYS 1 18 7.746 10.507 -11.469 1.00 0.00 O ATOM 241 CB CYS 1 18 4.880 10.199 -10.476 1.00 0.00 C ATOM 242 SG CYS 1 18 3.132 9.711 -10.601 1.00 0.00 S ATOM 0 H CYS 1 18 7.483 8.990 -9.541 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.341 8.304 -11.369 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.086 10.498 -9.448 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 5.043 11.076 -11.102 1.00 0.00 H new ATOM 247 N GLY 1 19 6.855 9.248 -13.108 1.00 0.00 N ATOM 248 CA GLY 1 19 7.794 9.723 -14.116 1.00 0.00 C ATOM 249 C GLY 1 19 8.091 11.208 -14.002 1.00 0.00 C ATOM 250 O GLY 1 19 9.236 11.604 -13.782 1.00 0.00 O ATOM 0 H GLY 1 19 6.174 8.568 -13.447 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.726 9.165 -14.027 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.390 9.514 -15.107 1.00 0.00 H new ATOM 254 N SER 1 20 7.058 12.028 -14.145 1.00 0.00 N ATOM 255 CA SER 1 20 7.211 13.475 -14.051 1.00 0.00 C ATOM 256 C SER 1 20 6.055 14.085 -13.264 1.00 0.00 C ATOM 257 O SER 1 20 4.918 13.632 -13.372 1.00 0.00 O ATOM 258 CB SER 1 20 7.277 14.095 -15.448 1.00 0.00 C ATOM 259 OG SER 1 20 8.616 14.189 -15.902 1.00 0.00 O ATOM 0 H SER 1 20 6.104 11.716 -14.327 1.00 0.00 H new ATOM 0 HA SER 1 20 8.142 13.688 -13.526 1.00 0.00 H new ATOM 0 HB2 SER 1 20 6.695 13.492 -16.145 1.00 0.00 H new ATOM 0 HB3 SER 1 20 6.825 15.087 -15.431 1.00 0.00 H new ATOM 0 HG SER 1 20 8.631 14.587 -16.798 1.00 0.00 H new ATOM 265 N PRO 1 21 6.327 15.125 -12.457 1.00 0.00 N ATOM 266 CA PRO 1 21 5.292 15.785 -11.656 1.00 0.00 C ATOM 267 C PRO 1 21 4.097 16.211 -12.501 1.00 0.00 C ATOM 268 O PRO 1 21 2.957 16.194 -12.036 1.00 0.00 O ATOM 269 CB PRO 1 21 6.010 17.010 -11.083 1.00 0.00 C ATOM 270 CG PRO 1 21 7.451 16.635 -11.074 1.00 0.00 C ATOM 271 CD PRO 1 21 7.655 15.736 -12.261 1.00 0.00 C ATOM 0 HA PRO 1 21 4.881 15.124 -10.893 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 5.835 17.894 -11.696 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 5.655 17.243 -10.079 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 8.084 17.520 -11.142 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 7.715 16.124 -10.148 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 7.973 16.297 -13.140 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 8.420 14.983 -12.069 1.00 0.00 H new ATOM 279 N ALA 1 22 4.366 16.586 -13.746 1.00 0.00 N ATOM 280 CA ALA 1 22 3.313 17.010 -14.661 1.00 0.00 C ATOM 281 C ALA 1 22 2.700 15.812 -15.378 1.00 0.00 C ATOM 282 O ALA 1 22 1.540 15.848 -15.788 1.00 0.00 O ATOM 283 CB ALA 1 22 3.861 18.008 -15.670 1.00 0.00 C ATOM 0 H ALA 1 22 5.304 16.605 -14.145 1.00 0.00 H new ATOM 0 HA ALA 1 22 2.529 17.494 -14.078 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 3.064 18.316 -16.347 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 4.249 18.881 -15.145 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 4.664 17.543 -16.242 1.00 0.00 H new ATOM 289 N ASN 1 23 3.486 14.749 -15.520 1.00 0.00 N ATOM 290 CA ASN 1 23 3.023 13.535 -16.181 1.00 0.00 C ATOM 291 C ASN 1 23 2.799 12.419 -15.165 1.00 0.00 C ATOM 292 O ASN 1 23 2.809 11.238 -15.512 1.00 0.00 O ATOM 293 CB ASN 1 23 4.035 13.085 -17.237 1.00 0.00 C ATOM 294 CG ASN 1 23 3.366 12.501 -18.466 1.00 0.00 C ATOM 295 OD1 ASN 1 23 2.272 11.944 -18.386 1.00 0.00 O ATOM 296 ND2 ASN 1 23 4.025 12.626 -19.613 1.00 0.00 N ATOM 0 H ASN 1 23 4.448 14.705 -15.185 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.074 13.755 -16.670 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 4.651 13.935 -17.531 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.703 12.342 -16.802 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 3.626 12.252 -20.474 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 4.930 13.096 -19.633 1.00 0.00 H new ATOM 303 N CYS 1 24 2.601 12.804 -13.909 1.00 0.00 N ATOM 304 CA CYS 1 24 2.378 11.844 -12.841 1.00 0.00 C ATOM 305 C CYS 1 24 1.037 11.155 -13.013 1.00 0.00 C ATOM 306 O CYS 1 24 0.022 11.599 -12.477 1.00 0.00 O ATOM 307 CB CYS 1 24 2.439 12.532 -11.480 1.00 0.00 C ATOM 308 SG CYS 1 24 2.143 11.407 -10.076 1.00 0.00 S ATOM 0 H CYS 1 24 2.591 13.778 -13.608 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.167 11.093 -12.891 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.418 12.997 -11.361 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 1.700 13.333 -11.454 1.00 0.00 H new ATOM 313 N GLN 1 25 1.043 10.068 -13.765 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.173 9.306 -14.017 1.00 0.00 C ATOM 315 C GLN 1 25 -0.576 8.479 -12.796 1.00 0.00 C ATOM 316 O GLN 1 25 -0.866 7.287 -12.907 1.00 0.00 O ATOM 317 CB GLN 1 25 0.016 8.399 -15.235 1.00 0.00 C ATOM 318 CG GLN 1 25 -0.674 8.922 -16.482 1.00 0.00 C ATOM 319 CD GLN 1 25 -0.554 7.972 -17.658 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -1.029 6.838 -17.606 1.00 0.00 O ATOM 321 NE2 GLN 1 25 0.084 8.433 -18.728 1.00 0.00 N ATOM 0 H GLN 1 25 1.878 9.691 -14.214 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.977 10.013 -14.220 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 1.082 8.289 -15.436 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.369 7.406 -15.004 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 -1.728 9.093 -16.264 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.244 9.886 -16.753 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 0.462 9.380 -18.728 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 0.196 7.840 -19.550 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.605 9.121 -11.632 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.985 8.450 -10.398 1.00 0.00 C ATOM 332 C ASP 1 26 -1.713 9.420 -9.475 1.00 0.00 C ATOM 333 O ASP 1 26 -1.088 10.180 -8.736 1.00 0.00 O ATOM 334 CB ASP 1 26 0.250 7.880 -9.698 1.00 0.00 C ATOM 335 CG ASP 1 26 0.030 6.464 -9.204 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -0.885 6.259 -8.379 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.773 5.560 -9.641 1.00 0.00 O ATOM 0 H ASP 1 26 -0.369 10.107 -11.520 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.656 7.627 -10.642 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 1.094 7.895 -10.387 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.515 8.519 -8.856 1.00 0.00 H new ATOM 342 N ARG 1 27 -3.038 9.394 -9.531 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.856 10.276 -8.707 1.00 0.00 C ATOM 344 C ARG 1 27 -3.669 9.989 -7.218 1.00 0.00 C ATOM 345 O ARG 1 27 -4.032 10.806 -6.372 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.330 10.131 -9.089 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.918 8.772 -8.747 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.948 8.336 -9.777 1.00 0.00 C ATOM 349 NE ARG 1 27 -6.359 8.167 -11.103 1.00 0.00 N ATOM 350 CZ ARG 1 27 -7.071 8.042 -12.221 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -8.397 8.069 -12.177 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -6.455 7.892 -13.386 1.00 0.00 N ATOM 0 H ARG 1 27 -3.570 8.771 -10.139 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.533 11.300 -8.891 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.906 10.905 -8.581 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.438 10.305 -10.160 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.120 8.032 -8.693 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.382 8.813 -7.761 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -7.403 7.397 -9.460 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.747 9.076 -9.827 1.00 0.00 H new ATOM 0 HE ARG 1 27 -5.342 8.143 -11.177 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -8.875 8.186 -11.284 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -8.938 7.973 -13.036 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -5.436 7.872 -13.425 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -7.000 7.796 -14.243 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.105 8.827 -6.901 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.879 8.444 -5.511 1.00 0.00 C ATOM 368 C CYS 1 28 -1.418 8.642 -5.109 1.00 0.00 C ATOM 369 O CYS 1 28 -1.100 8.734 -3.923 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.287 6.987 -5.290 1.00 0.00 C ATOM 371 SG CYS 1 28 -3.851 6.620 -3.597 1.00 0.00 S ATOM 0 H CYS 1 28 -2.797 8.136 -7.585 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.494 9.089 -4.884 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -4.084 6.734 -5.990 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.439 6.344 -5.526 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.531 8.703 -6.100 1.00 0.00 N ATOM 377 CA CYS 1 29 0.894 8.885 -5.838 1.00 0.00 C ATOM 378 C CYS 1 29 1.404 10.188 -6.443 1.00 0.00 C ATOM 379 O CYS 1 29 1.016 10.562 -7.548 1.00 0.00 O ATOM 380 CB CYS 1 29 1.687 7.706 -6.399 1.00 0.00 C ATOM 381 SG CYS 1 29 1.458 6.161 -5.467 1.00 0.00 S ATOM 0 H CYS 1 29 -0.773 8.629 -7.088 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.034 8.933 -4.758 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.392 7.542 -7.435 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.746 7.962 -6.406 1.00 0.00 H new ATOM 386 N ASN 1 30 2.274 10.877 -5.711 1.00 0.00 N ATOM 387 CA ASN 1 30 2.832 12.141 -6.185 1.00 0.00 C ATOM 388 C ASN 1 30 4.328 12.015 -6.471 1.00 0.00 C ATOM 389 O ASN 1 30 5.092 11.518 -5.639 1.00 0.00 O ATOM 390 CB ASN 1 30 2.576 13.249 -5.156 1.00 0.00 C ATOM 391 CG ASN 1 30 3.323 14.531 -5.476 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.479 14.898 -6.641 1.00 0.00 O ATOM 393 ND2 ASN 1 30 3.788 15.219 -4.440 1.00 0.00 N ATOM 0 H ASN 1 30 2.607 10.584 -4.792 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.335 12.401 -7.119 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.507 13.458 -5.112 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 2.873 12.897 -4.168 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 4.298 16.089 -4.593 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 3.636 14.877 -3.491 1.00 0.00 H new ATOM 400 N ALA 1 31 4.733 12.479 -7.656 1.00 0.00 N ATOM 401 CA ALA 1 31 6.133 12.436 -8.068 1.00 0.00 C ATOM 402 C ALA 1 31 6.942 13.512 -7.355 1.00 0.00 C ATOM 403 O ALA 1 31 8.058 13.266 -6.897 1.00 0.00 O ATOM 404 CB ALA 1 31 6.245 12.617 -9.574 1.00 0.00 C ATOM 0 H ALA 1 31 4.106 12.890 -8.348 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.537 11.461 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 7.294 12.583 -9.868 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 5.701 11.818 -10.078 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 5.820 13.580 -9.857 1.00 0.00 H new ATOM 410 N ALA 1 32 6.365 14.706 -7.265 1.00 0.00 N ATOM 411 CA ALA 1 32 7.023 15.829 -6.607 1.00 0.00 C ATOM 412 C ALA 1 32 7.432 15.472 -5.182 1.00 0.00 C ATOM 413 O ALA 1 32 8.271 16.143 -4.580 1.00 0.00 O ATOM 414 CB ALA 1 32 6.107 17.042 -6.604 1.00 0.00 C ATOM 0 H ALA 1 32 5.441 14.921 -7.640 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.928 16.066 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 6.608 17.875 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 5.867 17.320 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 5.188 16.803 -6.069 1.00 0.00 H new ATOM 420 N THR 1 33 6.833 14.414 -4.645 1.00 0.00 N ATOM 421 CA THR 1 33 7.130 13.969 -3.295 1.00 0.00 C ATOM 422 C THR 1 33 7.670 12.548 -3.304 1.00 0.00 C ATOM 423 O THR 1 33 8.377 12.134 -2.385 1.00 0.00 O ATOM 424 CB THR 1 33 5.864 14.017 -2.436 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.187 13.924 -1.060 1.00 0.00 O ATOM 426 CG2 THR 1 33 4.881 12.903 -2.756 1.00 0.00 C ATOM 0 H THR 1 33 6.136 13.849 -5.130 1.00 0.00 H new ATOM 0 HA THR 1 33 7.885 14.635 -2.877 1.00 0.00 H new ATOM 0 HB THR 1 33 5.394 14.973 -2.666 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.365 13.958 -0.528 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.006 12.994 -2.113 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.574 12.977 -3.799 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.357 11.937 -2.586 1.00 0.00 H new ATOM 434 N CYS 1 34 7.295 11.789 -4.328 1.00 0.00 N ATOM 435 CA CYS 1 34 7.704 10.404 -4.423 1.00 0.00 C ATOM 436 C CYS 1 34 7.173 9.664 -3.205 1.00 0.00 C ATOM 437 O CYS 1 34 7.899 8.951 -2.514 1.00 0.00 O ATOM 438 CB CYS 1 34 9.227 10.290 -4.517 1.00 0.00 C ATOM 439 SG CYS 1 34 9.851 10.047 -6.214 1.00 0.00 S ATOM 0 H CYS 1 34 6.711 12.114 -5.098 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.295 9.958 -5.330 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.675 11.193 -4.102 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.557 9.457 -3.897 1.00 0.00 H new ATOM 444 N LYS 1 35 5.888 9.875 -2.941 1.00 0.00 N ATOM 445 CA LYS 1 35 5.221 9.266 -1.799 1.00 0.00 C ATOM 446 C LYS 1 35 3.710 9.486 -1.882 1.00 0.00 C ATOM 447 O LYS 1 35 3.237 10.334 -2.639 1.00 0.00 O ATOM 448 CB LYS 1 35 5.788 9.838 -0.488 1.00 0.00 C ATOM 449 CG LYS 1 35 4.880 10.840 0.213 1.00 0.00 C ATOM 450 CD LYS 1 35 5.505 11.352 1.500 1.00 0.00 C ATOM 451 CE LYS 1 35 4.465 11.523 2.596 1.00 0.00 C ATOM 452 NZ LYS 1 35 3.468 12.576 2.255 1.00 0.00 N ATOM 0 H LYS 1 35 5.284 10.469 -3.509 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.407 8.192 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.992 9.013 0.195 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.743 10.319 -0.700 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 4.679 11.679 -0.454 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 3.921 10.371 0.434 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 6.275 10.656 1.833 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 5.997 12.306 1.312 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 3.951 10.576 2.760 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 4.962 11.782 3.531 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 2.796 12.686 3.041 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 3.959 13.478 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 2.952 12.300 1.395 1.00 0.00 H new ATOM 466 N LEU 1 36 2.961 8.717 -1.100 1.00 0.00 N ATOM 467 CA LEU 1 36 1.504 8.821 -1.080 1.00 0.00 C ATOM 468 C LEU 1 36 1.055 10.267 -0.886 1.00 0.00 C ATOM 469 O LEU 1 36 1.374 10.898 0.122 1.00 0.00 O ATOM 470 CB LEU 1 36 0.926 7.941 0.030 1.00 0.00 C ATOM 471 CG LEU 1 36 0.720 6.472 -0.347 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.812 5.588 0.887 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.621 6.286 -1.040 1.00 0.00 C ATOM 0 H LEU 1 36 3.339 8.011 -0.468 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.130 8.475 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.590 7.989 0.893 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.032 8.358 0.341 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.509 6.178 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.663 4.547 0.601 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.795 5.702 1.344 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 0.044 5.881 1.602 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.753 5.236 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.423 6.596 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.650 6.892 -1.945 1.00 0.00 H new ATOM 485 N THR 1 37 0.312 10.782 -1.860 1.00 0.00 N ATOM 486 CA THR 1 37 -0.186 12.152 -1.802 1.00 0.00 C ATOM 487 C THR 1 37 -1.054 12.360 -0.563 1.00 0.00 C ATOM 488 O THR 1 37 -1.630 11.410 -0.033 1.00 0.00 O ATOM 489 CB THR 1 37 -0.991 12.477 -3.063 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.277 11.886 -3.002 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.328 12.000 -4.338 1.00 0.00 C ATOM 0 H THR 1 37 0.041 10.271 -2.700 1.00 0.00 H new ATOM 0 HA THR 1 37 0.670 12.824 -1.743 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.055 13.565 -3.091 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.228 11.048 -2.496 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.951 12.263 -5.193 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.647 12.475 -4.441 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.202 10.918 -4.300 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.165 13.612 -0.084 1.00 0.00 N ATOM 500 CA PRO 1 38 -1.971 13.936 1.095 1.00 0.00 C ATOM 501 C PRO 1 38 -3.409 13.447 0.957 1.00 0.00 C ATOM 502 O PRO 1 38 -4.148 13.899 0.082 1.00 0.00 O ATOM 503 CB PRO 1 38 -1.928 15.471 1.166 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.403 15.916 -0.159 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.522 14.806 -0.650 1.00 0.00 C ATOM 0 HA PRO 1 38 -1.586 13.453 1.993 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -2.919 15.883 1.354 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.283 15.809 1.977 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.218 16.105 -0.858 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.842 16.846 -0.064 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.485 14.769 -1.739 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.504 14.918 -0.300 1.00 0.00 H new ATOM 513 N GLY 1 39 -3.797 12.519 1.825 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.143 11.978 1.782 1.00 0.00 C ATOM 515 C GLY 1 39 -5.158 10.486 1.517 1.00 0.00 C ATOM 516 O GLY 1 39 -6.087 9.786 1.920 1.00 0.00 O ATOM 0 H GLY 1 39 -3.203 12.131 2.558 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -5.644 12.181 2.729 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -5.712 12.488 1.005 1.00 0.00 H new ATOM 520 N SER 1 40 -4.125 9.997 0.838 1.00 0.00 N ATOM 521 CA SER 1 40 -4.020 8.578 0.520 1.00 0.00 C ATOM 522 C SER 1 40 -2.965 7.904 1.391 1.00 0.00 C ATOM 523 O SER 1 40 -1.862 8.424 1.560 1.00 0.00 O ATOM 524 CB SER 1 40 -3.676 8.388 -0.958 1.00 0.00 C ATOM 525 OG SER 1 40 -2.741 9.360 -1.394 1.00 0.00 O ATOM 0 H SER 1 40 -3.348 10.564 0.497 1.00 0.00 H new ATOM 0 HA SER 1 40 -4.985 8.113 0.722 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.267 7.390 -1.114 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -4.584 8.458 -1.558 1.00 0.00 H new ATOM 0 HG SER 1 40 -2.146 9.598 -0.652 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.312 6.748 1.945 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.395 6.005 2.803 1.00 0.00 C ATOM 533 C GLN 1 41 -1.984 4.682 2.161 1.00 0.00 C ATOM 534 O GLN 1 41 -0.914 4.148 2.451 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.043 5.742 4.163 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.121 6.974 5.049 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.976 6.643 6.521 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -1.973 6.981 7.150 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -3.981 5.978 7.080 1.00 0.00 N ATOM 0 H GLN 1 41 -4.221 6.305 1.816 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.499 6.611 2.939 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.049 5.353 4.007 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -2.478 4.967 4.681 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -2.339 7.676 4.759 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.075 7.475 4.885 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -4.794 5.718 6.521 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -3.940 5.728 8.068 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.842 4.156 1.293 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.569 2.892 0.618 1.00 0.00 C ATOM 550 C CYS 1 42 -2.774 3.013 -0.888 1.00 0.00 C ATOM 551 O CYS 1 42 -3.904 3.016 -1.374 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.463 1.794 1.178 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.611 0.197 1.361 1.00 0.00 S ATOM 0 H CYS 1 42 -3.732 4.585 1.040 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.525 2.634 0.799 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.846 2.107 2.149 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.324 1.666 0.522 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.670 3.109 -1.620 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.719 3.230 -3.073 1.00 0.00 C ATOM 560 C ASN 1 43 -1.520 1.875 -3.751 1.00 0.00 C ATOM 561 O ASN 1 43 -1.620 1.765 -4.973 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.648 4.206 -3.553 1.00 0.00 C ATOM 563 CG ASN 1 43 0.714 3.903 -2.959 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.898 3.951 -1.743 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.677 3.589 -3.818 1.00 0.00 N ATOM 0 H ASN 1 43 -0.727 3.105 -1.230 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.705 3.606 -3.344 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -0.585 4.167 -4.640 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.940 5.222 -3.287 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.614 3.375 -3.477 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.479 3.561 -4.818 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.238 0.848 -2.956 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.025 -0.495 -3.484 1.00 0.00 C ATOM 574 C TYR 1 44 -0.731 -1.464 -2.342 1.00 0.00 C ATOM 575 O TYR 1 44 0.110 -1.192 -1.485 1.00 0.00 O ATOM 576 CB TYR 1 44 0.111 -0.491 -4.519 1.00 0.00 C ATOM 577 CG TYR 1 44 1.434 -0.990 -3.987 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.636 -2.341 -3.749 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.473 -0.111 -3.717 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.835 -2.805 -3.257 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.679 -0.566 -3.224 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.856 -1.915 -2.994 1.00 0.00 C ATOM 583 OH TYR 1 44 5.056 -2.375 -2.502 1.00 0.00 O ATOM 0 H TYR 1 44 -1.152 0.920 -1.942 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.932 -0.828 -3.988 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -0.183 -1.109 -5.367 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.242 0.524 -4.894 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.839 -3.041 -3.953 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.336 0.945 -3.895 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.976 -3.861 -3.078 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.479 0.130 -3.019 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.667 -1.620 -2.373 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.447 -2.579 -2.322 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.273 -3.558 -1.267 1.00 0.00 C ATOM 595 C GLY 1 45 -2.598 -4.138 -0.800 1.00 0.00 C ATOM 596 O GLY 1 45 -3.665 -3.635 -1.155 1.00 0.00 O ATOM 0 H GLY 1 45 -2.149 -2.824 -3.021 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.631 -4.363 -1.623 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.764 -3.094 -0.423 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.527 -5.204 -0.013 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.721 -5.877 0.495 1.00 0.00 C ATOM 602 C GLU 1 46 -4.623 -4.946 1.304 1.00 0.00 C ATOM 603 O GLU 1 46 -5.843 -4.958 1.144 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.307 -7.056 1.371 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.005 -8.324 0.589 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.983 -8.103 -0.508 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -2.293 -7.369 -1.470 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.872 -8.664 -0.406 1.00 0.00 O ATOM 0 H GLU 1 46 -1.649 -5.626 0.291 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.291 -6.217 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.425 -6.777 1.947 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.103 -7.262 2.087 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.639 -9.090 1.273 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.927 -8.704 0.150 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.022 -4.175 2.199 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.775 -3.273 3.068 1.00 0.00 C ATOM 617 C CYS 1 47 -5.376 -2.082 2.319 1.00 0.00 C ATOM 618 O CYS 1 47 -6.253 -1.400 2.846 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.869 -2.771 4.189 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.872 -3.826 5.671 1.00 0.00 S ATOM 0 H CYS 1 47 -3.013 -4.154 2.345 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.609 -3.844 3.475 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.849 -2.695 3.812 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.180 -1.765 4.471 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.896 -1.809 1.112 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.394 -0.670 0.347 1.00 0.00 C ATOM 627 C CYS 1 48 -6.836 -0.846 -0.106 1.00 0.00 C ATOM 628 O CYS 1 48 -7.263 -1.933 -0.494 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.497 -0.410 -0.859 1.00 0.00 C ATOM 630 SG CYS 1 48 -2.734 -0.589 -0.491 1.00 0.00 S ATOM 0 H CYS 1 48 -4.171 -2.353 0.645 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.372 0.190 1.016 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -4.766 -1.100 -1.659 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.683 0.597 -1.231 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.570 0.260 -0.053 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.968 0.302 -0.451 1.00 0.00 C ATOM 637 C ASP 1 49 -9.413 1.756 -0.578 1.00 0.00 C ATOM 638 O ASP 1 49 -9.568 2.454 0.424 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.841 -0.434 0.569 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.685 -1.520 -0.069 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.222 -2.128 -1.057 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.809 -1.761 0.419 1.00 0.00 O ATOM 0 H ASP 1 49 -7.207 1.157 0.270 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.080 -0.196 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.205 -0.876 1.336 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.493 0.282 1.069 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.590 2.216 -1.811 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.989 3.598 -2.056 1.00 0.00 C ATOM 649 C GLN 1 50 -8.883 4.551 -1.612 1.00 0.00 C ATOM 650 O GLN 1 50 -9.150 5.649 -1.124 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.290 3.921 -1.317 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.153 4.950 -2.028 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.191 5.572 -1.113 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.054 6.720 -0.691 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.236 4.814 -0.802 1.00 0.00 N ATOM 0 H GLN 1 50 -9.464 1.656 -2.654 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.157 3.725 -3.125 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.864 3.003 -1.190 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.050 4.287 -0.319 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -11.515 5.735 -2.435 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.655 4.477 -2.872 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -14.308 3.867 -1.175 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.966 5.178 -0.190 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.638 4.111 -1.783 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.472 4.902 -1.402 1.00 0.00 C ATOM 666 C CYS 1 51 -6.412 5.108 0.110 1.00 0.00 C ATOM 667 O CYS 1 51 -5.829 6.080 0.589 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.475 6.255 -2.119 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.825 6.196 -3.820 1.00 0.00 S ATOM 0 H CYS 1 51 -7.411 3.202 -2.187 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.585 4.347 -1.706 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.495 6.639 -2.144 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -5.882 6.963 -1.539 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.012 4.185 0.856 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.017 4.264 2.314 1.00 0.00 C ATOM 676 C ARG 1 52 -6.791 2.886 2.926 1.00 0.00 C ATOM 677 O ARG 1 52 -7.298 1.885 2.420 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.342 4.846 2.811 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.368 6.366 2.835 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.036 6.906 4.217 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.282 8.156 4.150 1.00 0.00 N ATOM 682 CZ ARG 1 52 -7.135 8.989 5.178 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -7.686 8.709 6.352 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -6.433 10.104 5.031 1.00 0.00 N ATOM 0 H ARG 1 52 -7.501 3.374 0.476 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.204 4.921 2.624 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.149 4.487 2.172 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.540 4.472 3.815 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.653 6.755 2.110 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.354 6.719 2.532 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -8.959 7.069 4.774 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.458 6.163 4.767 1.00 0.00 H new ATOM 0 HE ARG 1 52 -6.843 8.405 3.264 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -8.226 7.852 6.471 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -7.570 9.351 7.136 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -6.006 10.323 4.131 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -6.320 10.743 5.818 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.025 2.834 4.014 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.743 1.564 4.676 1.00 0.00 C ATOM 700 C PHE 1 53 -7.021 0.913 5.168 1.00 0.00 C ATOM 701 O PHE 1 53 -7.908 1.579 5.702 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.776 1.750 5.850 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.364 2.026 5.426 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.849 1.444 4.282 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.551 2.863 6.171 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.556 1.689 3.886 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.250 3.114 5.779 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.751 2.525 4.633 1.00 0.00 C ATOM 0 H PHE 1 53 -5.593 3.648 4.451 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.274 0.913 3.938 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.127 2.573 6.472 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.792 0.853 6.469 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.472 0.788 3.692 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.938 3.324 7.068 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.169 1.227 2.990 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.624 3.769 6.367 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.265 2.718 4.323 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.103 -0.395 4.990 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.272 -1.143 5.424 1.00 0.00 C ATOM 720 C LYS 1 54 -8.395 -1.083 6.942 1.00 0.00 C ATOM 721 O LYS 1 54 -7.707 -1.811 7.654 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.179 -2.597 4.955 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.045 -2.901 3.742 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.470 -4.040 2.913 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.313 -3.646 1.453 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.541 -4.799 0.539 1.00 0.00 N ATOM 0 H LYS 1 54 -6.377 -0.960 4.549 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.161 -0.694 4.981 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.141 -2.828 4.717 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.472 -3.254 5.774 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.052 -3.161 4.069 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.132 -2.008 3.123 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.501 -4.332 3.318 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -9.122 -4.910 2.987 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.017 -2.849 1.214 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -7.312 -3.246 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -8.860 -4.450 -0.387 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -7.654 -5.330 0.422 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.268 -5.424 0.943 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.267 -0.200 7.430 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.482 -0.025 8.869 1.00 0.00 C ATOM 742 C LYS 1 55 -9.217 -1.316 9.636 1.00 0.00 C ATOM 743 O LYS 1 55 -9.752 -2.375 9.294 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.910 0.453 9.135 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.193 0.736 10.601 1.00 0.00 C ATOM 746 CD LYS 1 55 -12.160 1.897 10.768 1.00 0.00 C ATOM 747 CE LYS 1 55 -11.957 2.605 12.098 1.00 0.00 C ATOM 748 NZ LYS 1 55 -11.017 3.753 11.978 1.00 0.00 N ATOM 0 H LYS 1 55 -9.840 0.409 6.846 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.776 0.727 9.220 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.095 1.358 8.556 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.610 -0.302 8.778 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.609 -0.155 11.071 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.259 0.962 11.116 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -12.022 2.607 9.952 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -13.185 1.531 10.702 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -12.918 2.960 12.471 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -11.573 1.896 12.832 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -10.906 4.209 12.906 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -10.092 3.411 11.647 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -11.396 4.442 11.297 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.376 -1.226 10.666 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.032 -2.390 11.472 1.00 0.00 C ATOM 764 C ALA 1 56 -9.256 -3.249 11.727 1.00 0.00 C ATOM 765 O ALA 1 56 -10.311 -2.749 12.117 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.409 -1.976 12.790 1.00 0.00 C ATOM 0 H ALA 1 56 -7.923 -0.360 10.959 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.302 -2.974 10.912 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.162 -2.865 13.371 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.501 -1.404 12.599 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.115 -1.362 13.349 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.116 -4.537 11.482 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.231 -5.442 11.667 1.00 0.00 C ATOM 774 C GLY 1 57 -10.688 -6.034 10.352 1.00 0.00 C ATOM 775 O GLY 1 57 -11.464 -6.990 10.328 1.00 0.00 O ATOM 0 H GLY 1 57 -8.253 -4.975 11.159 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.942 -6.243 12.347 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.059 -4.910 12.135 1.00 0.00 H new ATOM 779 N THR 1 58 -10.189 -5.472 9.253 1.00 0.00 N ATOM 780 CA THR 1 58 -10.527 -5.961 7.926 1.00 0.00 C ATOM 781 C THR 1 58 -9.710 -7.209 7.612 1.00 0.00 C ATOM 782 O THR 1 58 -8.480 -7.166 7.602 1.00 0.00 O ATOM 783 CB THR 1 58 -10.253 -4.885 6.877 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.027 -3.726 7.129 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.554 -5.344 5.471 1.00 0.00 C ATOM 0 H THR 1 58 -9.549 -4.678 9.259 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.588 -6.210 7.904 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.188 -4.666 6.954 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.622 -3.214 7.860 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.340 -4.536 4.771 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.934 -6.208 5.230 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.606 -5.620 5.396 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.392 -8.321 7.370 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.708 -9.572 7.074 1.00 0.00 C ATOM 795 C VAL 1 59 -9.250 -9.632 5.620 1.00 0.00 C ATOM 796 O VAL 1 59 -10.068 -9.592 4.701 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.605 -10.792 7.368 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.851 -10.765 6.495 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.832 -12.087 7.167 1.00 0.00 C ATOM 0 H VAL 1 59 -11.410 -8.382 7.373 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.834 -9.606 7.725 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.920 -10.743 8.410 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.470 -11.634 6.718 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.417 -9.855 6.696 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.560 -10.787 5.445 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.482 -12.936 7.379 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.483 -12.146 6.136 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.976 -12.108 7.841 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.939 -9.735 5.418 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.383 -9.807 4.068 1.00 0.00 C ATOM 811 C CYS 1 60 -6.959 -11.232 3.709 1.00 0.00 C ATOM 812 O CYS 1 60 -6.882 -11.586 2.532 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.181 -8.875 3.925 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.446 -7.203 4.590 1.00 0.00 S ATOM 0 H CYS 1 60 -7.246 -9.770 6.165 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.170 -9.493 3.383 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.326 -9.323 4.431 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.921 -8.796 2.869 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.669 -12.040 4.725 1.00 0.00 N ATOM 820 CA ARG 1 61 -6.235 -13.420 4.507 1.00 0.00 C ATOM 821 C ARG 1 61 -6.730 -14.341 5.620 1.00 0.00 C ATOM 822 O ARG 1 61 -7.437 -13.912 6.532 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.704 -13.489 4.417 1.00 0.00 C ATOM 824 CG ARG 1 61 -4.198 -14.216 3.179 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.883 -14.954 3.432 1.00 0.00 C ATOM 826 NE ARG 1 61 -2.040 -14.299 4.435 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.553 -13.066 4.313 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.781 -12.358 3.214 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.822 -12.545 5.289 1.00 0.00 N ATOM 0 H ARG 1 61 -6.726 -11.766 5.706 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.668 -13.759 3.566 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.302 -12.476 4.423 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -4.318 -13.990 5.305 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.953 -14.928 2.846 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.059 -13.498 2.371 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -3.101 -15.971 3.758 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.330 -15.031 2.496 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.812 -14.821 5.281 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -2.333 -12.758 2.455 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -1.404 -11.414 3.128 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.634 -13.089 6.131 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.448 -11.600 5.198 1.00 0.00 H new ATOM 843 N ILE 1 62 -6.348 -15.611 5.536 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.738 -16.600 6.531 1.00 0.00 C ATOM 845 C ILE 1 62 -6.139 -17.960 6.197 1.00 0.00 C ATOM 846 O ILE 1 62 -6.188 -18.411 5.053 1.00 0.00 O ATOM 847 CB ILE 1 62 -8.271 -16.722 6.645 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.656 -17.850 7.608 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.891 -16.950 5.276 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.159 -17.635 9.021 1.00 0.00 C ATOM 0 H ILE 1 62 -5.766 -15.980 4.784 1.00 0.00 H new ATOM 0 HA ILE 1 62 -6.352 -16.260 7.492 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.660 -15.786 7.046 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.741 -17.948 7.624 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.257 -18.791 7.230 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.973 -17.034 5.376 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -8.651 -16.111 4.623 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -8.494 -17.869 4.845 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -8.468 -18.472 9.647 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.071 -17.567 9.018 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.579 -16.711 9.418 1.00 0.00 H new ATOM 862 N ALA 1 63 -5.568 -18.601 7.206 1.00 0.00 N ATOM 863 CA ALA 1 63 -4.948 -19.908 7.029 1.00 0.00 C ATOM 864 C ALA 1 63 -5.954 -20.930 6.512 1.00 0.00 C ATOM 865 O ALA 1 63 -5.959 -21.263 5.327 1.00 0.00 O ATOM 866 CB ALA 1 63 -4.318 -20.380 8.331 1.00 0.00 C ATOM 0 H ALA 1 63 -5.521 -18.237 8.158 1.00 0.00 H new ATOM 0 HA ALA 1 63 -4.161 -19.810 6.281 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -3.860 -21.357 8.180 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -3.556 -19.667 8.646 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -5.086 -20.454 9.101 1.00 0.00 H new ATOM 872 N ARG 1 64 -6.805 -21.423 7.403 1.00 0.00 N ATOM 873 CA ARG 1 64 -7.815 -22.406 7.023 1.00 0.00 C ATOM 874 C ARG 1 64 -8.744 -22.727 8.189 1.00 0.00 C ATOM 875 O ARG 1 64 -8.701 -23.823 8.748 1.00 0.00 O ATOM 876 CB ARG 1 64 -7.145 -23.687 6.521 1.00 0.00 C ATOM 877 CG ARG 1 64 -7.931 -24.399 5.432 1.00 0.00 C ATOM 878 CD ARG 1 64 -7.550 -23.895 4.050 1.00 0.00 C ATOM 879 NE ARG 1 64 -8.554 -24.238 3.046 1.00 0.00 N ATOM 880 CZ ARG 1 64 -8.323 -24.235 1.735 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -7.125 -23.909 1.266 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -9.293 -24.560 0.891 1.00 0.00 N ATOM 0 H ARG 1 64 -6.817 -21.161 8.389 1.00 0.00 H new ATOM 0 HA ARG 1 64 -8.414 -21.975 6.221 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -6.153 -23.443 6.141 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -7.006 -24.368 7.361 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -7.748 -25.472 5.492 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -8.998 -24.248 5.594 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -7.423 -22.813 4.081 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -6.589 -24.320 3.761 1.00 0.00 H new ATOM 0 HE ARG 1 64 -9.487 -24.495 3.368 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -6.375 -23.659 1.911 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -6.954 -23.908 0.260 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -10.215 -24.812 1.247 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -9.117 -24.558 -0.114 1.00 0.00 H new ATOM 896 N GLY 1 65 -9.588 -21.766 8.548 1.00 0.00 N ATOM 897 CA GLY 1 65 -10.517 -21.970 9.643 1.00 0.00 C ATOM 898 C GLY 1 65 -10.809 -20.692 10.402 1.00 0.00 C ATOM 899 O GLY 1 65 -11.418 -19.767 9.865 1.00 0.00 O ATOM 0 H GLY 1 65 -9.645 -20.851 8.101 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -11.449 -22.378 9.253 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -10.107 -22.711 10.330 1.00 0.00 H new ATOM 903 N ASP 1 66 -10.373 -20.644 11.655 1.00 0.00 N ATOM 904 CA ASP 1 66 -10.587 -19.474 12.496 1.00 0.00 C ATOM 905 C ASP 1 66 -9.769 -19.576 13.779 1.00 0.00 C ATOM 906 O ASP 1 66 -10.272 -20.006 14.817 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.071 -19.322 12.832 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.804 -18.449 11.832 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -12.143 -17.626 11.166 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -14.040 -18.590 11.716 1.00 0.00 O ATOM 0 H ASP 1 66 -9.868 -21.404 12.111 1.00 0.00 H new ATOM 0 HA ASP 1 66 -10.259 -18.594 11.943 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.537 -20.307 12.860 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.173 -18.892 13.829 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.505 -19.184 13.693 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.602 -19.232 14.839 1.00 0.00 C ATOM 917 C TRP 1 67 -7.077 -17.841 15.163 1.00 0.00 C ATOM 918 O TRP 1 67 -7.425 -17.250 16.185 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.429 -20.177 14.545 1.00 0.00 C ATOM 920 CG TRP 1 67 -6.391 -20.657 13.124 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -6.083 -19.925 12.012 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -6.683 -21.978 12.665 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -6.173 -20.710 10.893 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -6.536 -21.976 11.267 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -7.054 -23.161 13.303 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -6.748 -23.114 10.496 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -7.265 -24.293 12.538 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -7.111 -24.262 11.146 1.00 0.00 C ATOM 0 H TRP 1 67 -8.079 -18.827 12.838 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.156 -19.606 15.700 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.494 -19.665 14.773 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.491 -21.038 15.210 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.809 -18.880 12.015 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.998 -20.401 9.937 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -7.174 -23.192 14.376 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -6.630 -23.092 9.423 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -7.553 -25.215 13.021 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -7.282 -25.162 10.574 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.244 -17.328 14.273 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.661 -16.001 14.431 1.00 0.00 C ATOM 941 C ASN 1 68 -6.178 -15.061 13.354 1.00 0.00 C ATOM 942 O ASN 1 68 -6.302 -13.856 13.573 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.137 -16.064 14.347 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.561 -17.315 14.983 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.040 -17.275 16.098 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -3.652 -18.434 14.274 1.00 0.00 N ATOM 0 H ASN 1 68 -5.953 -17.814 13.425 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.951 -15.626 15.413 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.834 -16.022 13.301 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.715 -15.186 14.837 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.282 -19.307 14.649 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -4.092 -18.420 13.354 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.477 -15.624 12.187 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.982 -14.844 11.069 1.00 0.00 C ATOM 955 C ASP 1 69 -5.972 -13.810 10.607 1.00 0.00 C ATOM 956 O ASP 1 69 -4.949 -13.582 11.251 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.263 -14.125 11.463 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.497 -14.987 11.284 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.517 -16.114 11.822 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.444 -14.535 10.607 1.00 0.00 O ATOM 0 H ASP 1 69 -6.377 -16.621 11.994 1.00 0.00 H new ATOM 0 HA ASP 1 69 -7.175 -15.540 10.253 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.193 -13.810 12.504 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.366 -13.221 10.863 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.298 -13.165 9.499 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.462 -12.119 8.945 1.00 0.00 C ATOM 967 C ASP 1 70 -6.247 -10.828 8.916 1.00 0.00 C ATOM 968 O ASP 1 70 -7.296 -10.751 8.282 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.989 -12.486 7.542 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.990 -11.488 6.997 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.054 -10.309 7.399 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -3.145 -11.884 6.169 1.00 0.00 O ATOM 0 H ASP 1 70 -7.145 -13.352 8.963 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.578 -11.997 9.571 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.537 -13.477 7.561 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.848 -12.540 6.873 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.767 -9.827 9.636 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.478 -8.566 9.711 1.00 0.00 C ATOM 979 C TYR 1 71 -5.581 -7.357 9.535 1.00 0.00 C ATOM 980 O TYR 1 71 -4.455 -7.317 10.029 1.00 0.00 O ATOM 981 CB TYR 1 71 -7.181 -8.470 11.052 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.408 -9.328 11.134 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.573 -8.926 10.515 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.405 -10.528 11.828 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.715 -9.688 10.579 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.539 -11.307 11.901 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.698 -10.883 11.274 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.836 -11.653 11.344 1.00 0.00 O ATOM 0 H TYR 1 71 -4.899 -9.863 10.170 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.191 -8.556 8.886 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.488 -8.761 11.841 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.457 -7.432 11.238 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.588 -7.994 9.969 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.501 -10.857 12.318 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.619 -9.356 10.090 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.524 -12.241 12.443 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.612 -12.586 11.144 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.117 -6.361 8.845 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.404 -5.119 8.611 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.243 -4.356 9.921 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.940 -4.635 10.898 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.164 -4.266 7.598 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.188 -2.898 6.900 1.00 0.00 S ATOM 0 H CYS 1 72 -7.051 -6.392 8.436 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.416 -5.346 8.212 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.507 -4.906 6.785 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.053 -3.856 8.078 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.323 -3.398 9.940 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.076 -2.603 11.138 1.00 0.00 C ATOM 1010 C THR 1 73 -4.294 -1.113 10.873 1.00 0.00 C ATOM 1011 O THR 1 73 -3.923 -0.269 11.688 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.652 -2.843 11.643 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.722 -2.057 10.918 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.216 -4.289 11.534 1.00 0.00 C ATOM 0 H THR 1 73 -3.737 -3.153 9.142 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.788 -2.916 11.902 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.667 -2.562 12.696 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.818 -2.224 11.257 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.197 -4.391 11.909 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.884 -4.916 12.124 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.252 -4.602 10.491 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.901 -0.796 9.731 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.161 0.590 9.383 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.935 1.472 9.521 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.053 2.678 9.738 1.00 0.00 O ATOM 0 H GLY 1 74 -5.218 -1.476 9.040 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.525 0.640 8.357 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.955 0.977 10.022 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.756 0.872 9.400 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.509 1.619 9.519 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.502 1.218 8.442 1.00 0.00 C ATOM 1032 O LYS 1 75 0.645 1.665 8.466 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.898 1.405 10.905 1.00 0.00 C ATOM 1034 CG LYS 1 75 -1.706 2.030 12.030 1.00 0.00 C ATOM 1035 CD LYS 1 75 -0.838 2.326 13.242 1.00 0.00 C ATOM 1036 CE LYS 1 75 -1.582 2.054 14.540 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -1.758 0.596 14.784 1.00 0.00 N ATOM 0 H LYS 1 75 -2.637 -0.125 9.220 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.744 2.674 9.381 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.802 0.335 11.089 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 0.109 1.822 10.917 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.168 2.952 11.678 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.514 1.357 12.316 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 0.064 1.715 13.203 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -0.518 3.368 13.216 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -1.035 2.498 15.372 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -2.559 2.537 14.507 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -2.000 0.438 15.783 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -2.524 0.233 14.181 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -0.874 0.097 14.559 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.922 0.377 7.498 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.029 -0.062 6.430 1.00 0.00 C ATOM 1053 C SER 1 76 -0.783 -0.818 5.340 1.00 0.00 C ATOM 1054 O SER 1 76 -1.966 -1.129 5.484 1.00 0.00 O ATOM 1055 CB SER 1 76 1.079 -0.947 7.002 1.00 0.00 C ATOM 1056 OG SER 1 76 2.208 -0.175 7.375 1.00 0.00 O ATOM 0 H SER 1 76 -1.865 -0.010 7.451 1.00 0.00 H new ATOM 0 HA SER 1 76 0.410 0.828 5.980 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.703 -1.490 7.869 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.372 -1.692 6.262 1.00 0.00 H new ATOM 0 HG SER 1 76 1.911 0.693 7.720 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.078 -1.116 4.252 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.655 -1.845 3.126 1.00 0.00 C ATOM 1064 C SER 1 77 -0.509 -3.352 3.319 1.00 0.00 C ATOM 1065 O SER 1 77 -0.727 -4.128 2.387 1.00 0.00 O ATOM 1066 CB SER 1 77 0.027 -1.426 1.823 1.00 0.00 C ATOM 1067 OG SER 1 77 1.276 -2.077 1.668 1.00 0.00 O ATOM 0 H SER 1 77 0.902 -0.861 4.126 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.716 -1.602 3.074 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.619 -1.665 0.978 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.173 -0.346 1.817 1.00 0.00 H new ATOM 0 HG SER 1 77 1.691 -1.793 0.827 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.133 -3.762 4.527 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.051 -5.177 4.826 1.00 0.00 C ATOM 1075 C ASP 1 78 -1.003 -5.682 5.805 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.406 -4.974 6.727 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.449 -5.419 5.398 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.546 -5.059 4.415 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.946 -5.939 3.624 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.005 -3.898 4.437 1.00 0.00 O ATOM 0 H ASP 1 78 0.049 -3.136 5.312 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.060 -5.730 3.893 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.573 -4.832 6.308 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.547 -6.467 5.680 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.438 -6.918 5.592 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.441 -7.543 6.445 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.867 -8.793 7.115 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.785 -9.853 6.494 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.672 -7.909 5.614 1.00 0.00 C ATOM 1090 SG CYS 1 79 -5.212 -7.134 6.197 1.00 0.00 S ATOM 0 H CYS 1 79 -1.109 -7.511 4.830 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.732 -6.837 7.222 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.499 -7.617 4.578 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.796 -8.992 5.623 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.449 -8.688 8.390 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.872 -9.821 9.128 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.889 -10.924 9.414 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.971 -10.664 9.938 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.393 -9.186 10.437 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.234 -7.968 10.599 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.493 -7.462 9.208 1.00 0.00 C ATOM 0 HA PRO 1 80 -0.083 -10.311 8.557 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.519 -9.869 11.277 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.666 -8.932 10.389 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.168 -8.203 11.110 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.722 -7.216 11.200 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.459 -6.963 9.134 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.738 -6.741 8.894 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.524 -12.157 9.064 1.00 0.00 N ATOM 1110 CA TRP 1 81 -2.394 -13.318 9.277 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.062 -14.059 10.568 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.841 -14.885 11.043 1.00 0.00 O ATOM 1113 CB TRP 1 81 -2.312 -14.277 8.093 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.953 -14.861 7.848 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.256 -14.402 8.292 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -0.677 -16.026 7.077 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 1.264 -15.211 7.827 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 0.713 -16.217 7.079 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -1.481 -16.923 6.383 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 1.315 -17.274 6.407 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.887 -17.976 5.716 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 0.503 -18.143 5.730 1.00 0.00 C ATOM 0 H TRP 1 81 -0.628 -12.380 8.630 1.00 0.00 H new ATOM 0 HA TRP 1 81 -3.412 -12.938 9.365 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -3.018 -15.092 8.254 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -2.633 -13.750 7.194 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 0.397 -13.532 8.916 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.259 -15.083 8.009 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -2.554 -16.798 6.366 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 2.387 -17.405 6.419 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -1.503 -18.680 5.176 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 0.943 -18.973 5.197 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.907 -13.755 11.123 1.00 0.00 N ATOM 1134 CA ASN 1 82 -0.451 -14.378 12.362 1.00 0.00 C ATOM 1135 C ASN 1 82 -0.352 -15.894 12.210 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.731 -16.643 13.110 1.00 0.00 O ATOM 1137 CB ASN 1 82 -1.399 -14.028 13.511 1.00 0.00 C ATOM 1138 CG ASN 1 82 -0.660 -13.737 14.802 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 0.126 -14.555 15.279 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -0.910 -12.565 15.375 1.00 0.00 N ATOM 0 H ASN 1 82 -0.256 -13.073 10.735 1.00 0.00 H new ATOM 0 HA ASN 1 82 0.543 -13.991 12.588 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -1.996 -13.159 13.234 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -2.092 -14.854 13.671 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -0.442 -12.313 16.246 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -1.570 -11.917 14.944 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.162 -16.337 11.068 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.311 -17.763 10.799 1.00 0.00 C ATOM 1149 C HIS 1 83 1.707 -18.076 10.268 1.00 0.00 C ATOM 1150 O HIS 1 83 1.902 -19.191 9.741 1.00 0.00 O ATOM 1151 CB HIS 1 83 -0.745 -18.224 9.795 1.00 0.00 C ATOM 1152 CG HIS 1 83 -2.136 -17.833 10.182 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -3.093 -17.440 9.269 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -2.729 -17.769 11.396 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -4.213 -17.151 9.908 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -4.016 -17.343 11.198 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.592 -17.202 10.384 1.00 0.00 O ATOM 0 H HIS 1 83 0.482 -15.730 10.314 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.172 -18.301 11.737 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -0.515 -17.803 8.816 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -0.694 -19.308 9.695 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -2.957 -17.382 8.260 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -2.273 -18.009 12.345 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -5.133 -16.815 9.452 1.00 0.00 H new TER 1166 HIS 1 83