USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 533 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 :FLIP amide:sc= -0.955 F(o=-8.4!,f=-6.2) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -5.23 K(o=-6.2,f=-8.4!) USER MOD Set 2.1: 1 37 THR OG1 : rot -149:sc= 0.379 USER MOD Set 2.2: 1 40 SER OG : rot -120:sc= -0.0366 USER MOD Set 3.1: 1 33 THR OG1 : rot -32:sc= 0.749 USER MOD Set 3.2: 1 35 LYS NZ :NH3+ 151:sc= 0.881 (180deg=0) USER MOD Single : 1 7 ASN : amide:sc= -2.07 K(o=-2.1,f=-3.6!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN :FLIP amide:sc= -0.829 F(o=-5.8!,f=-0.83) USER MOD Single : 1 41 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.081) USER MOD Single : 1 43 ASN : amide:sc= -1.84 K(o=-1.8,f=-5!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 73:sc= 0.472 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot -160:sc= -0.586 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 180:sc= -0.306 USER MOD Single : 1 77 SER OG : rot -35:sc= 0.934 USER MOD Single : 1 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 15.177 1.054 -8.794 1.00 0.00 N ATOM 29 CA PRO 1 3 14.111 1.615 -7.955 1.00 0.00 C ATOM 30 C PRO 1 3 14.360 3.081 -7.617 1.00 0.00 C ATOM 31 O PRO 1 3 14.862 3.410 -6.542 1.00 0.00 O ATOM 32 CB PRO 1 3 14.148 0.753 -6.688 1.00 0.00 C ATOM 33 CG PRO 1 3 14.897 -0.478 -7.070 1.00 0.00 C ATOM 34 CD PRO 1 3 15.875 -0.055 -8.125 1.00 0.00 C ATOM 0 HA PRO 1 3 13.145 1.597 -8.459 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 14.643 1.277 -5.871 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 13.141 0.511 -6.348 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 15.412 -0.905 -6.209 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 14.221 -1.244 -7.449 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 16.822 0.266 -7.692 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.100 -0.867 -8.817 1.00 0.00 H new ATOM 42 N VAL 1 4 14.014 3.953 -8.555 1.00 0.00 N ATOM 43 CA VAL 1 4 14.200 5.391 -8.390 1.00 0.00 C ATOM 44 C VAL 1 4 12.876 6.139 -8.475 1.00 0.00 C ATOM 45 O VAL 1 4 11.944 5.695 -9.145 1.00 0.00 O ATOM 46 CB VAL 1 4 15.164 5.961 -9.448 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.609 5.718 -9.038 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.880 5.355 -10.815 1.00 0.00 C ATOM 0 H VAL 1 4 13.599 3.687 -9.448 1.00 0.00 H new ATOM 0 HA VAL 1 4 14.630 5.535 -7.399 1.00 0.00 H new ATOM 0 HB VAL 1 4 15.005 7.037 -9.515 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 17.276 6.127 -9.797 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.803 6.206 -8.083 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.784 4.647 -8.940 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 15.571 5.771 -11.548 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 15.008 4.274 -10.767 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 13.856 5.586 -11.110 1.00 0.00 H new ATOM 58 N CYS 1 5 12.804 7.287 -7.807 1.00 0.00 N ATOM 59 CA CYS 1 5 11.595 8.097 -7.832 1.00 0.00 C ATOM 60 C CYS 1 5 11.565 8.869 -9.139 1.00 0.00 C ATOM 61 O CYS 1 5 12.092 9.976 -9.248 1.00 0.00 O ATOM 62 CB CYS 1 5 11.561 9.060 -6.641 1.00 0.00 C ATOM 63 SG CYS 1 5 10.410 8.570 -5.316 1.00 0.00 S ATOM 0 H CYS 1 5 13.564 7.673 -7.246 1.00 0.00 H new ATOM 0 HA CYS 1 5 10.719 7.452 -7.758 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.565 9.139 -6.224 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 11.285 10.052 -6.998 1.00 0.00 H new ATOM 68 N GLY 1 6 10.976 8.232 -10.138 1.00 0.00 N ATOM 69 CA GLY 1 6 10.901 8.797 -11.465 1.00 0.00 C ATOM 70 C GLY 1 6 11.123 7.723 -12.512 1.00 0.00 C ATOM 71 O GLY 1 6 11.617 7.991 -13.608 1.00 0.00 O ATOM 0 H GLY 1 6 10.540 7.314 -10.048 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 9.927 9.263 -11.614 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.650 9.581 -11.576 1.00 0.00 H new ATOM 75 N ASN 1 7 10.751 6.497 -12.151 1.00 0.00 N ATOM 76 CA ASN 1 7 10.888 5.338 -13.017 1.00 0.00 C ATOM 77 C ASN 1 7 9.584 4.557 -13.020 1.00 0.00 C ATOM 78 O ASN 1 7 9.540 3.395 -13.422 1.00 0.00 O ATOM 79 CB ASN 1 7 12.024 4.440 -12.510 1.00 0.00 C ATOM 80 CG ASN 1 7 12.270 3.250 -13.416 1.00 0.00 C ATOM 81 OD1 ASN 1 7 11.794 3.210 -14.551 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.016 2.271 -12.918 1.00 0.00 N ATOM 0 H ASN 1 7 10.343 6.283 -11.241 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.120 5.668 -14.030 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.939 5.027 -12.430 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.783 4.086 -11.508 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 13.215 1.444 -13.481 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.390 2.346 -11.972 1.00 0.00 H new ATOM 89 N LYS 1 8 8.531 5.203 -12.524 1.00 0.00 N ATOM 90 CA LYS 1 8 7.222 4.587 -12.414 1.00 0.00 C ATOM 91 C LYS 1 8 7.220 3.613 -11.243 1.00 0.00 C ATOM 92 O LYS 1 8 6.336 2.768 -11.112 1.00 0.00 O ATOM 93 CB LYS 1 8 6.819 3.880 -13.712 1.00 0.00 C ATOM 94 CG LYS 1 8 6.893 4.773 -14.939 1.00 0.00 C ATOM 95 CD LYS 1 8 8.209 4.597 -15.679 1.00 0.00 C ATOM 96 CE LYS 1 8 8.022 4.711 -17.184 1.00 0.00 C ATOM 97 NZ LYS 1 8 7.591 3.421 -17.789 1.00 0.00 N ATOM 0 H LYS 1 8 8.567 6.166 -12.189 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.484 5.369 -12.236 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.467 3.016 -13.862 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 5.802 3.501 -13.609 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 6.064 4.542 -15.609 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 6.780 5.815 -14.639 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 8.921 5.350 -15.342 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 8.636 3.624 -15.437 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 7.280 5.479 -17.400 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 8.957 5.033 -17.643 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 7.475 3.541 -18.816 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 8.311 2.693 -17.605 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 6.686 3.126 -17.370 1.00 0.00 H new ATOM 111 N ILE 1 9 8.227 3.766 -10.389 1.00 0.00 N ATOM 112 CA ILE 1 9 8.385 2.947 -9.208 1.00 0.00 C ATOM 113 C ILE 1 9 8.612 3.846 -8.005 1.00 0.00 C ATOM 114 O ILE 1 9 9.280 4.875 -8.105 1.00 0.00 O ATOM 115 CB ILE 1 9 9.578 1.976 -9.346 1.00 0.00 C ATOM 116 CG1 ILE 1 9 9.368 1.038 -10.538 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.774 1.181 -8.062 1.00 0.00 C ATOM 118 CD1 ILE 1 9 10.375 1.240 -11.649 1.00 0.00 C ATOM 0 H ILE 1 9 8.958 4.468 -10.504 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.478 2.356 -9.081 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.481 2.561 -9.524 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 9.423 0.006 -10.192 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 8.364 1.188 -10.936 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.619 0.503 -8.179 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 9.970 1.865 -7.237 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 8.873 0.605 -7.850 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 10.166 0.543 -12.460 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 10.305 2.262 -12.022 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.380 1.061 -11.266 1.00 0.00 H new ATOM 130 N LEU 1 10 8.059 3.458 -6.874 1.00 0.00 N ATOM 131 CA LEU 1 10 8.209 4.235 -5.652 1.00 0.00 C ATOM 132 C LEU 1 10 9.630 4.120 -5.126 1.00 0.00 C ATOM 133 O LEU 1 10 9.853 3.598 -4.033 1.00 0.00 O ATOM 134 CB LEU 1 10 7.215 3.765 -4.591 1.00 0.00 C ATOM 135 CG LEU 1 10 6.861 2.280 -4.648 1.00 0.00 C ATOM 136 CD1 LEU 1 10 6.633 1.731 -3.251 1.00 0.00 C ATOM 137 CD2 LEU 1 10 5.636 2.066 -5.525 1.00 0.00 C ATOM 0 H LEU 1 10 7.501 2.610 -6.771 1.00 0.00 H new ATOM 0 HA LEU 1 10 8.002 5.280 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 7.626 3.987 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 6.298 4.345 -4.692 1.00 0.00 H new ATOM 0 HG LEU 1 10 7.697 1.737 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 6.382 0.672 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 7.540 1.855 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 5.813 2.271 -2.777 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 5.393 1.004 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 4.792 2.618 -5.112 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.844 2.422 -6.534 1.00 0.00 H new ATOM 149 N GLU 1 11 10.591 4.603 -5.922 1.00 0.00 N ATOM 150 CA GLU 1 11 12.007 4.551 -5.560 1.00 0.00 C ATOM 151 C GLU 1 11 12.275 3.415 -4.584 1.00 0.00 C ATOM 152 O GLU 1 11 12.704 3.631 -3.450 1.00 0.00 O ATOM 153 CB GLU 1 11 12.460 5.876 -4.958 1.00 0.00 C ATOM 154 CG GLU 1 11 13.946 5.914 -4.659 1.00 0.00 C ATOM 155 CD GLU 1 11 14.297 6.894 -3.557 1.00 0.00 C ATOM 156 OE1 GLU 1 11 14.132 8.113 -3.772 1.00 0.00 O ATOM 157 OE2 GLU 1 11 14.736 6.443 -2.478 1.00 0.00 O ATOM 0 H GLU 1 11 10.409 5.037 -6.827 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.578 4.368 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 12.213 6.685 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.905 6.059 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 14.280 4.917 -4.373 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 14.488 6.184 -5.565 1.00 0.00 H new ATOM 164 N GLN 1 12 11.999 2.203 -5.038 1.00 0.00 N ATOM 165 CA GLN 1 12 12.186 1.011 -4.216 1.00 0.00 C ATOM 166 C GLN 1 12 11.150 0.930 -3.096 1.00 0.00 C ATOM 167 O GLN 1 12 10.160 0.206 -3.210 1.00 0.00 O ATOM 168 CB GLN 1 12 13.606 0.967 -3.635 1.00 0.00 C ATOM 169 CG GLN 1 12 14.344 -0.328 -3.932 1.00 0.00 C ATOM 170 CD GLN 1 12 14.355 -1.278 -2.750 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.212 -1.184 -1.871 1.00 0.00 O ATOM 172 NE2 GLN 1 12 13.399 -2.200 -2.723 1.00 0.00 N ATOM 0 H GLN 1 12 11.643 2.015 -5.975 1.00 0.00 H new ATOM 0 HA GLN 1 12 12.046 0.145 -4.863 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 14.180 1.803 -4.036 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 13.552 1.106 -2.555 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 13.877 -0.821 -4.785 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.370 -0.099 -4.219 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 12.709 -2.241 -3.473 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 13.355 -2.867 -1.952 1.00 0.00 H new ATOM 181 N GLY 1 13 11.383 1.662 -2.013 1.00 0.00 N ATOM 182 CA GLY 1 13 10.459 1.640 -0.893 1.00 0.00 C ATOM 183 C GLY 1 13 10.064 3.027 -0.431 1.00 0.00 C ATOM 184 O GLY 1 13 10.322 3.406 0.712 1.00 0.00 O ATOM 0 H GLY 1 13 12.193 2.269 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 9.563 1.088 -1.178 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 10.915 1.101 -0.062 1.00 0.00 H new ATOM 188 N GLU 1 14 9.441 3.787 -1.322 1.00 0.00 N ATOM 189 CA GLU 1 14 9.011 5.144 -1.001 1.00 0.00 C ATOM 190 C GLU 1 14 7.537 5.171 -0.594 1.00 0.00 C ATOM 191 O GLU 1 14 7.145 5.921 0.301 1.00 0.00 O ATOM 192 CB GLU 1 14 9.277 6.057 -2.191 1.00 0.00 C ATOM 193 CG GLU 1 14 10.663 6.676 -2.154 1.00 0.00 C ATOM 194 CD GLU 1 14 10.892 7.520 -0.915 1.00 0.00 C ATOM 195 OE1 GLU 1 14 9.896 7.964 -0.305 1.00 0.00 O ATOM 196 OE2 GLU 1 14 12.068 7.737 -0.554 1.00 0.00 O ATOM 0 H GLU 1 14 9.222 3.488 -2.272 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.585 5.507 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 9.162 5.488 -3.114 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.529 6.850 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 11.411 5.885 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.805 7.293 -3.041 1.00 0.00 H new ATOM 203 N ASP 1 15 6.741 4.318 -1.239 1.00 0.00 N ATOM 204 CA ASP 1 15 5.306 4.178 -0.951 1.00 0.00 C ATOM 205 C ASP 1 15 4.423 5.069 -1.823 1.00 0.00 C ATOM 206 O ASP 1 15 3.248 5.252 -1.512 1.00 0.00 O ATOM 207 CB ASP 1 15 5.011 4.455 0.527 1.00 0.00 C ATOM 208 CG ASP 1 15 3.884 3.595 1.063 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.644 2.509 0.494 1.00 0.00 O ATOM 210 OD2 ASP 1 15 3.241 4.006 2.051 1.00 0.00 O ATOM 0 H ASP 1 15 7.071 3.700 -1.980 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.059 3.144 -1.189 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 5.912 4.276 1.114 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.753 5.507 0.652 1.00 0.00 H new ATOM 215 N CYS 1 16 4.973 5.601 -2.918 1.00 0.00 N ATOM 216 CA CYS 1 16 4.201 6.453 -3.837 1.00 0.00 C ATOM 217 C CYS 1 16 5.118 7.316 -4.697 1.00 0.00 C ATOM 218 O CYS 1 16 5.825 8.183 -4.188 1.00 0.00 O ATOM 219 CB CYS 1 16 3.223 7.351 -3.070 1.00 0.00 C ATOM 220 SG CYS 1 16 1.487 6.780 -3.078 1.00 0.00 S ATOM 0 H CYS 1 16 5.945 5.460 -3.192 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.634 5.788 -4.488 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.559 7.430 -2.036 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.263 8.354 -3.496 1.00 0.00 H new ATOM 225 N ASP 1 17 5.092 7.078 -6.006 1.00 0.00 N ATOM 226 CA ASP 1 17 5.914 7.842 -6.940 1.00 0.00 C ATOM 227 C ASP 1 17 5.405 7.695 -8.370 1.00 0.00 C ATOM 228 O ASP 1 17 4.666 6.763 -8.686 1.00 0.00 O ATOM 229 CB ASP 1 17 7.370 7.386 -6.870 1.00 0.00 C ATOM 230 CG ASP 1 17 8.287 8.254 -7.710 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.521 9.418 -7.324 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.767 7.770 -8.756 1.00 0.00 O ATOM 0 H ASP 1 17 4.511 6.363 -6.443 1.00 0.00 H new ATOM 0 HA ASP 1 17 5.849 8.891 -6.652 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.705 7.405 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.441 6.352 -7.209 1.00 0.00 H new ATOM 237 N CYS 1 18 5.817 8.619 -9.232 1.00 0.00 N ATOM 238 CA CYS 1 18 5.418 8.595 -10.634 1.00 0.00 C ATOM 239 C CYS 1 18 6.639 8.752 -11.536 1.00 0.00 C ATOM 240 O CYS 1 18 7.725 9.096 -11.071 1.00 0.00 O ATOM 241 CB CYS 1 18 4.399 9.702 -10.946 1.00 0.00 C ATOM 242 SG CYS 1 18 3.772 10.617 -9.495 1.00 0.00 S ATOM 0 H CYS 1 18 6.429 9.396 -8.983 1.00 0.00 H new ATOM 0 HA CYS 1 18 4.947 7.631 -10.826 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 4.859 10.413 -11.633 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 3.552 9.257 -11.468 1.00 0.00 H new ATOM 247 N GLY 1 19 6.453 8.503 -12.829 1.00 0.00 N ATOM 248 CA GLY 1 19 7.549 8.629 -13.774 1.00 0.00 C ATOM 249 C GLY 1 19 8.220 9.987 -13.703 1.00 0.00 C ATOM 250 O GLY 1 19 9.443 10.079 -13.598 1.00 0.00 O ATOM 0 H GLY 1 19 5.564 8.217 -13.239 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.287 7.851 -13.576 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.175 8.464 -14.784 1.00 0.00 H new ATOM 254 N SER 1 20 7.416 11.044 -13.756 1.00 0.00 N ATOM 255 CA SER 1 20 7.937 12.404 -13.690 1.00 0.00 C ATOM 256 C SER 1 20 7.050 13.276 -12.802 1.00 0.00 C ATOM 257 O SER 1 20 5.839 13.342 -13.004 1.00 0.00 O ATOM 258 CB SER 1 20 8.024 13.007 -15.093 1.00 0.00 C ATOM 259 OG SER 1 20 8.911 12.266 -15.913 1.00 0.00 O ATOM 0 H SER 1 20 6.402 10.985 -13.844 1.00 0.00 H new ATOM 0 HA SER 1 20 8.937 12.368 -13.257 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.033 13.024 -15.547 1.00 0.00 H new ATOM 0 HB3 SER 1 20 8.363 14.041 -15.027 1.00 0.00 H new ATOM 0 HG SER 1 20 8.948 12.671 -16.805 1.00 0.00 H new ATOM 265 N PRO 1 21 7.637 13.962 -11.803 1.00 0.00 N ATOM 266 CA PRO 1 21 6.880 14.827 -10.892 1.00 0.00 C ATOM 267 C PRO 1 21 6.083 15.900 -11.631 1.00 0.00 C ATOM 268 O PRO 1 21 5.149 16.480 -11.078 1.00 0.00 O ATOM 269 CB PRO 1 21 7.958 15.473 -10.010 1.00 0.00 C ATOM 270 CG PRO 1 21 9.248 15.234 -10.720 1.00 0.00 C ATOM 271 CD PRO 1 21 9.071 13.952 -11.479 1.00 0.00 C ATOM 0 HA PRO 1 21 6.140 14.260 -10.328 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.773 16.539 -9.881 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.969 15.029 -9.015 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.480 16.058 -11.395 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 10.074 15.158 -10.013 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.689 13.925 -12.377 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.344 13.085 -10.878 1.00 0.00 H new ATOM 279 N ALA 1 22 6.454 16.161 -12.882 1.00 0.00 N ATOM 280 CA ALA 1 22 5.768 17.164 -13.686 1.00 0.00 C ATOM 281 C ALA 1 22 4.540 16.574 -14.369 1.00 0.00 C ATOM 282 O ALA 1 22 3.573 17.283 -14.648 1.00 0.00 O ATOM 283 CB ALA 1 22 6.717 17.756 -14.716 1.00 0.00 C ATOM 0 H ALA 1 22 7.224 15.692 -13.358 1.00 0.00 H new ATOM 0 HA ALA 1 22 5.433 17.960 -13.021 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 6.190 18.504 -15.309 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 7.560 18.224 -14.207 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 7.082 16.965 -15.371 1.00 0.00 H new ATOM 289 N ASN 1 23 4.582 15.273 -14.632 1.00 0.00 N ATOM 290 CA ASN 1 23 3.469 14.591 -15.278 1.00 0.00 C ATOM 291 C ASN 1 23 2.635 13.838 -14.249 1.00 0.00 C ATOM 292 O ASN 1 23 1.409 13.939 -14.238 1.00 0.00 O ATOM 293 CB ASN 1 23 3.984 13.623 -16.344 1.00 0.00 C ATOM 294 CG ASN 1 23 3.020 13.476 -17.505 1.00 0.00 C ATOM 295 OD1 ASN 1 23 1.903 12.985 -17.342 1.00 0.00 O ATOM 296 ND2 ASN 1 23 3.449 13.903 -18.688 1.00 0.00 N ATOM 0 H ASN 1 23 5.374 14.671 -14.408 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.839 15.340 -15.758 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 4.946 13.975 -16.716 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.155 12.646 -15.892 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 2.845 13.830 -19.506 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 4.383 14.304 -18.778 1.00 0.00 H new ATOM 303 N CYS 1 24 3.325 13.093 -13.384 1.00 0.00 N ATOM 304 CA CYS 1 24 2.696 12.304 -12.319 1.00 0.00 C ATOM 305 C CYS 1 24 1.249 11.932 -12.637 1.00 0.00 C ATOM 306 O CYS 1 24 0.332 12.728 -12.435 1.00 0.00 O ATOM 307 CB CYS 1 24 2.763 13.062 -10.996 1.00 0.00 C ATOM 308 SG CYS 1 24 4.160 12.562 -9.940 1.00 0.00 S ATOM 0 H CYS 1 24 4.342 13.018 -13.401 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.255 11.372 -12.240 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.838 14.130 -11.202 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 1.832 12.907 -10.450 1.00 0.00 H new ATOM 313 N GLN 1 25 1.055 10.713 -13.126 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.278 10.232 -13.465 1.00 0.00 C ATOM 315 C GLN 1 25 -0.884 9.445 -12.308 1.00 0.00 C ATOM 316 O GLN 1 25 -1.534 8.420 -12.510 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.226 9.370 -14.726 1.00 0.00 C ATOM 318 CG GLN 1 25 -0.825 10.055 -15.940 1.00 0.00 C ATOM 319 CD GLN 1 25 -0.891 9.147 -17.152 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -1.949 8.612 -17.484 1.00 0.00 O ATOM 321 NE2 GLN 1 25 0.243 8.967 -17.819 1.00 0.00 N ATOM 0 H GLN 1 25 1.803 10.041 -13.296 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.914 11.096 -13.657 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 0.811 9.109 -14.938 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.759 8.437 -14.543 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 -1.829 10.403 -15.697 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.232 10.937 -16.184 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 1.097 9.431 -17.508 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 0.260 8.365 -18.642 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.672 9.939 -11.094 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.202 9.293 -9.903 1.00 0.00 C ATOM 332 C ASP 1 26 -1.631 10.337 -8.881 1.00 0.00 C ATOM 333 O ASP 1 26 -0.818 10.831 -8.101 1.00 0.00 O ATOM 334 CB ASP 1 26 -0.155 8.360 -9.292 1.00 0.00 C ATOM 335 CG ASP 1 26 0.438 7.409 -10.313 1.00 0.00 C ATOM 336 OD1 ASP 1 26 1.354 7.827 -11.052 1.00 0.00 O ATOM 337 OD2 ASP 1 26 -0.014 6.246 -10.373 1.00 0.00 O ATOM 0 H ASP 1 26 -0.135 10.787 -10.910 1.00 0.00 H new ATOM 0 HA ASP 1 26 -2.073 8.703 -10.189 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.643 8.955 -8.848 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.611 7.785 -8.486 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.916 10.669 -8.894 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.459 11.657 -7.971 1.00 0.00 C ATOM 344 C ARG 1 27 -3.303 11.205 -6.520 1.00 0.00 C ATOM 345 O ARG 1 27 -3.394 12.015 -5.598 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.934 11.914 -8.283 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.518 13.099 -7.533 1.00 0.00 C ATOM 348 CD ARG 1 27 -5.506 14.358 -8.384 1.00 0.00 C ATOM 349 NE ARG 1 27 -4.162 14.915 -8.521 1.00 0.00 N ATOM 350 CZ ARG 1 27 -3.840 15.871 -9.389 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -4.761 16.379 -10.199 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -2.594 16.320 -9.448 1.00 0.00 N ATOM 0 H ARG 1 27 -3.602 10.268 -9.534 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.897 12.582 -8.100 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.046 12.082 -9.354 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.509 11.021 -8.039 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -6.541 12.872 -7.232 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -4.947 13.270 -6.620 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -5.907 14.131 -9.372 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -6.163 15.104 -7.937 1.00 0.00 H new ATOM 0 HE ARG 1 27 -3.427 14.549 -7.915 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -5.721 16.037 -10.158 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -4.509 17.112 -10.862 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -1.882 15.933 -8.828 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -2.347 17.053 -10.113 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.072 9.910 -6.323 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.910 9.361 -4.982 1.00 0.00 C ATOM 368 C CYS 1 28 -1.433 9.262 -4.601 1.00 0.00 C ATOM 369 O CYS 1 28 -1.084 9.325 -3.422 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.576 7.986 -4.892 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.347 7.997 -5.327 1.00 0.00 S ATOM 0 H CYS 1 28 -2.993 9.224 -7.073 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.394 10.037 -4.277 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.053 7.295 -5.553 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -3.463 7.603 -3.878 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.569 9.113 -5.602 1.00 0.00 N ATOM 377 CA CYS 1 29 0.869 9.014 -5.362 1.00 0.00 C ATOM 378 C CYS 1 29 1.603 10.216 -5.942 1.00 0.00 C ATOM 379 O CYS 1 29 1.438 10.549 -7.116 1.00 0.00 O ATOM 380 CB CYS 1 29 1.432 7.731 -5.975 1.00 0.00 C ATOM 381 SG CYS 1 29 1.125 6.224 -4.998 1.00 0.00 S ATOM 0 H CYS 1 29 -0.838 9.058 -6.584 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.022 8.993 -4.283 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.001 7.599 -6.967 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.507 7.849 -6.108 1.00 0.00 H new ATOM 386 N ASN 1 30 2.421 10.861 -5.117 1.00 0.00 N ATOM 387 CA ASN 1 30 3.184 12.022 -5.559 1.00 0.00 C ATOM 388 C ASN 1 30 4.679 11.713 -5.591 1.00 0.00 C ATOM 389 O ASN 1 30 5.252 11.250 -4.600 1.00 0.00 O ATOM 390 CB ASN 1 30 2.911 13.220 -4.649 1.00 0.00 C ATOM 391 CG ASN 1 30 3.569 14.490 -5.151 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.452 15.060 -4.339 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 3.288 14.953 -6.256 1.00 0.00 N flip ATOM 0 H ASN 1 30 2.572 10.601 -4.142 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.864 12.270 -6.571 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.835 13.377 -4.573 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.272 12.999 -3.645 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 2.603 14.482 -6.847 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 3.740 15.808 -6.581 1.00 0.00 H new ATOM 400 N ALA 1 31 5.301 11.973 -6.739 1.00 0.00 N ATOM 401 CA ALA 1 31 6.729 11.730 -6.916 1.00 0.00 C ATOM 402 C ALA 1 31 7.556 12.774 -6.177 1.00 0.00 C ATOM 403 O ALA 1 31 8.569 12.454 -5.554 1.00 0.00 O ATOM 404 CB ALA 1 31 7.083 11.732 -8.396 1.00 0.00 C ATOM 0 H ALA 1 31 4.835 12.353 -7.563 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.962 10.751 -6.496 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.151 11.550 -8.515 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.522 10.948 -8.905 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.830 12.700 -8.829 1.00 0.00 H new ATOM 410 N ALA 1 32 7.115 14.025 -6.252 1.00 0.00 N ATOM 411 CA ALA 1 32 7.806 15.128 -5.593 1.00 0.00 C ATOM 412 C ALA 1 32 8.007 14.854 -4.104 1.00 0.00 C ATOM 413 O ALA 1 32 8.856 15.472 -3.461 1.00 0.00 O ATOM 414 CB ALA 1 32 7.030 16.422 -5.789 1.00 0.00 C ATOM 0 H ALA 1 32 6.278 14.302 -6.765 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.791 15.226 -6.049 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.554 17.239 -5.293 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.946 16.638 -6.854 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.033 16.317 -5.360 1.00 0.00 H new ATOM 420 N THR 1 33 7.225 13.927 -3.560 1.00 0.00 N ATOM 421 CA THR 1 33 7.322 13.577 -2.150 1.00 0.00 C ATOM 422 C THR 1 33 7.710 12.117 -1.986 1.00 0.00 C ATOM 423 O THR 1 33 8.194 11.708 -0.930 1.00 0.00 O ATOM 424 CB THR 1 33 5.986 13.828 -1.447 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.142 13.773 -0.040 1.00 0.00 O ATOM 426 CG2 THR 1 33 4.911 12.829 -1.830 1.00 0.00 C ATOM 0 H THR 1 33 6.517 13.405 -4.076 1.00 0.00 H new ATOM 0 HA THR 1 33 8.092 14.203 -1.699 1.00 0.00 H new ATOM 0 HB THR 1 33 5.670 14.820 -1.771 1.00 0.00 H new ATOM 0 HG1 THR 1 33 6.842 13.126 0.186 1.00 0.00 H new ATOM 0 HG21 THR 1 33 3.990 13.063 -1.297 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.732 12.881 -2.904 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.238 11.823 -1.565 1.00 0.00 H new ATOM 434 N CYS 1 34 7.470 11.327 -3.028 1.00 0.00 N ATOM 435 CA CYS 1 34 7.769 9.910 -2.982 1.00 0.00 C ATOM 436 C CYS 1 34 6.941 9.259 -1.886 1.00 0.00 C ATOM 437 O CYS 1 34 7.423 8.404 -1.144 1.00 0.00 O ATOM 438 CB CYS 1 34 9.259 9.683 -2.736 1.00 0.00 C ATOM 439 SG CYS 1 34 10.330 10.206 -4.115 1.00 0.00 S ATOM 0 H CYS 1 34 7.070 11.648 -3.910 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.516 9.458 -3.941 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.554 10.223 -1.836 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.427 8.624 -2.542 1.00 0.00 H new ATOM 444 N LYS 1 35 5.689 9.692 -1.785 1.00 0.00 N ATOM 445 CA LYS 1 35 4.780 9.174 -0.774 1.00 0.00 C ATOM 446 C LYS 1 35 3.334 9.552 -1.098 1.00 0.00 C ATOM 447 O LYS 1 35 3.078 10.397 -1.957 1.00 0.00 O ATOM 448 CB LYS 1 35 5.185 9.701 0.613 1.00 0.00 C ATOM 449 CG LYS 1 35 4.227 10.726 1.207 1.00 0.00 C ATOM 450 CD LYS 1 35 4.727 11.245 2.546 1.00 0.00 C ATOM 451 CE LYS 1 35 3.999 12.514 2.957 1.00 0.00 C ATOM 452 NZ LYS 1 35 4.663 13.734 2.421 1.00 0.00 N ATOM 0 H LYS 1 35 5.282 10.402 -2.393 1.00 0.00 H new ATOM 0 HA LYS 1 35 4.846 8.086 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.264 8.857 1.299 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.176 10.148 0.542 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 4.108 11.559 0.514 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 3.243 10.275 1.335 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 4.587 10.480 3.310 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 5.797 11.442 2.485 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 2.970 12.474 2.600 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 3.957 12.572 4.045 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 3.954 14.481 2.278 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 5.382 14.063 3.097 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 5.118 13.511 1.513 1.00 0.00 H new ATOM 466 N LEU 1 36 2.396 8.914 -0.407 1.00 0.00 N ATOM 467 CA LEU 1 36 0.976 9.171 -0.617 1.00 0.00 C ATOM 468 C LEU 1 36 0.650 10.649 -0.430 1.00 0.00 C ATOM 469 O LEU 1 36 1.147 11.294 0.493 1.00 0.00 O ATOM 470 CB LEU 1 36 0.140 8.327 0.347 1.00 0.00 C ATOM 471 CG LEU 1 36 0.400 6.821 0.280 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.317 6.202 1.666 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.587 6.152 -0.665 1.00 0.00 C ATOM 0 H LEU 1 36 2.595 8.212 0.306 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.732 8.895 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.331 8.669 1.364 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.915 8.508 0.143 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.407 6.662 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.505 5.130 1.598 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.063 6.661 2.315 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.677 6.371 2.081 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.388 5.081 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.603 6.320 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.478 6.575 -1.664 1.00 0.00 H new ATOM 485 N THR 1 37 -0.191 11.178 -1.313 1.00 0.00 N ATOM 486 CA THR 1 37 -0.588 12.579 -1.248 1.00 0.00 C ATOM 487 C THR 1 37 -1.640 12.793 -0.162 1.00 0.00 C ATOM 488 O THR 1 37 -2.265 11.840 0.302 1.00 0.00 O ATOM 489 CB THR 1 37 -1.134 13.041 -2.601 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.470 12.604 -2.778 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.327 12.538 -3.779 1.00 0.00 C ATOM 0 H THR 1 37 -0.611 10.657 -2.083 1.00 0.00 H new ATOM 0 HA THR 1 37 0.293 13.171 -1.000 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.073 14.129 -2.579 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.641 12.451 -3.731 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.770 12.903 -4.706 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.698 12.900 -3.699 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.327 11.448 -3.781 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.851 14.052 0.258 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.835 14.382 1.294 1.00 0.00 C ATOM 501 C PRO 1 38 -4.211 13.800 0.992 1.00 0.00 C ATOM 502 O PRO 1 38 -4.846 14.163 0.002 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.883 15.912 1.265 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.554 16.322 0.731 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.150 15.249 -0.243 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.559 13.970 2.264 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.693 16.271 0.630 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -3.053 16.322 2.261 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.614 17.293 0.239 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.823 16.416 1.534 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.453 15.495 -1.261 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.070 15.105 -0.258 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.666 12.894 1.852 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.965 12.275 1.660 1.00 0.00 C ATOM 515 C GLY 1 39 -5.862 10.813 1.270 1.00 0.00 C ATOM 516 O GLY 1 39 -6.769 10.027 1.542 1.00 0.00 O ATOM 0 H GLY 1 39 -4.158 12.578 2.678 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.544 12.362 2.579 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.511 12.816 0.887 1.00 0.00 H new ATOM 520 N SER 1 40 -4.755 10.449 0.631 1.00 0.00 N ATOM 521 CA SER 1 40 -4.538 9.072 0.203 1.00 0.00 C ATOM 522 C SER 1 40 -3.659 8.324 1.201 1.00 0.00 C ATOM 523 O SER 1 40 -2.596 8.806 1.591 1.00 0.00 O ATOM 524 CB SER 1 40 -3.893 9.042 -1.184 1.00 0.00 C ATOM 525 OG SER 1 40 -4.628 9.830 -2.105 1.00 0.00 O ATOM 0 H SER 1 40 -3.995 11.088 0.398 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.507 8.576 0.156 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -2.869 9.411 -1.121 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.840 8.014 -1.542 1.00 0.00 H new ATOM 0 HG SER 1 40 -4.938 9.266 -2.844 1.00 0.00 H new ATOM 531 N GLN 1 41 -4.112 7.143 1.610 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.367 6.327 2.562 1.00 0.00 C ATOM 533 C GLN 1 41 -2.780 5.093 1.883 1.00 0.00 C ATOM 534 O GLN 1 41 -1.765 4.555 2.324 1.00 0.00 O ATOM 535 CB GLN 1 41 -4.274 5.903 3.719 1.00 0.00 C ATOM 536 CG GLN 1 41 -4.609 7.036 4.676 1.00 0.00 C ATOM 537 CD GLN 1 41 -4.571 6.602 6.128 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -5.511 6.846 6.886 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -3.482 5.955 6.525 1.00 0.00 N ATOM 0 H GLN 1 41 -4.991 6.730 1.297 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.546 6.928 2.952 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.200 5.495 3.313 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.789 5.100 4.275 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.904 7.854 4.526 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -5.601 7.423 4.442 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -2.727 5.774 5.864 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -3.400 5.639 7.491 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.426 4.648 0.810 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.966 3.477 0.072 1.00 0.00 C ATOM 550 C CYS 1 42 -2.628 3.834 -1.372 1.00 0.00 C ATOM 551 O CYS 1 42 -2.779 4.978 -1.801 1.00 0.00 O ATOM 552 CB CYS 1 42 -4.028 2.371 0.112 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.110 2.276 -1.359 1.00 0.00 S ATOM 0 H CYS 1 42 -4.269 5.080 0.432 1.00 0.00 H new ATOM 0 HA CYS 1 42 -2.057 3.112 0.551 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.526 1.412 0.236 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.652 2.520 0.993 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.185 2.831 -2.110 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.831 2.987 -3.514 1.00 0.00 C ATOM 560 C ASN 1 43 -1.464 1.630 -4.104 1.00 0.00 C ATOM 561 O ASN 1 43 -1.745 1.344 -5.268 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.674 3.973 -3.671 1.00 0.00 C ATOM 563 CG ASN 1 43 0.570 3.533 -2.925 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.530 3.285 -1.719 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.684 3.433 -3.640 1.00 0.00 N ATOM 0 H ASN 1 43 -2.060 1.883 -1.754 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.689 3.387 -4.053 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -0.438 4.086 -4.729 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.984 4.953 -3.307 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.553 3.141 -3.192 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.671 3.648 -4.637 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.854 0.792 -3.272 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.460 -0.551 -3.669 1.00 0.00 C ATOM 574 C TYR 1 44 -0.345 -1.438 -2.429 1.00 0.00 C ATOM 575 O TYR 1 44 0.213 -1.024 -1.413 1.00 0.00 O ATOM 576 CB TYR 1 44 0.862 -0.514 -4.452 1.00 0.00 C ATOM 577 CG TYR 1 44 2.087 -0.836 -3.623 1.00 0.00 C ATOM 578 CD1 TYR 1 44 2.380 -2.146 -3.270 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.943 0.168 -3.193 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.491 -2.448 -2.511 1.00 0.00 C ATOM 581 CE2 TYR 1 44 4.059 -0.125 -2.433 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.329 -1.434 -2.094 1.00 0.00 C ATOM 583 OH TYR 1 44 5.439 -1.731 -1.337 1.00 0.00 O ATOM 0 H TYR 1 44 -0.620 1.026 -2.307 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.221 -0.971 -4.327 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.801 -1.222 -5.279 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.984 0.477 -4.889 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.727 -2.942 -3.595 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.734 1.194 -3.456 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.704 -3.473 -2.244 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.716 0.667 -2.106 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.923 -0.905 -1.128 1.00 0.00 H new ATOM 593 N GLY 1 45 -0.880 -2.650 -2.513 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.827 -3.560 -1.382 1.00 0.00 C ATOM 595 C GLY 1 45 -2.193 -4.107 -1.008 1.00 0.00 C ATOM 596 O GLY 1 45 -3.221 -3.574 -1.426 1.00 0.00 O ATOM 0 H GLY 1 45 -1.348 -3.019 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.160 -4.389 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.400 -3.042 -0.523 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.199 -5.179 -0.222 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.440 -5.817 0.210 1.00 0.00 C ATOM 602 C GLU 1 46 -4.347 -4.846 0.959 1.00 0.00 C ATOM 603 O GLU 1 46 -5.551 -4.785 0.708 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.117 -7.001 1.118 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.582 -8.214 0.374 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.096 -8.115 0.089 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -0.719 -7.374 -0.842 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.311 -8.777 0.799 1.00 0.00 O ATOM 0 H GLU 1 46 -1.353 -5.627 0.131 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.967 -6.154 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.383 -6.688 1.860 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.018 -7.287 1.661 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.776 -9.111 0.962 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.122 -8.326 -0.566 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.763 -4.100 1.886 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.514 -3.141 2.688 1.00 0.00 C ATOM 617 C CYS 1 47 -5.079 -2.015 1.826 1.00 0.00 C ATOM 618 O CYS 1 47 -6.063 -1.377 2.194 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.609 -2.558 3.772 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.812 -3.310 5.414 1.00 0.00 S ATOM 0 H CYS 1 47 -2.767 -4.140 2.103 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.351 -3.665 3.148 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.571 -2.673 3.460 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.802 -1.488 3.851 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.444 -1.759 0.688 1.00 0.00 N ATOM 626 CA CYS 1 48 -4.878 -0.692 -0.200 1.00 0.00 C ATOM 627 C CYS 1 48 -6.231 -0.986 -0.843 1.00 0.00 C ATOM 628 O CYS 1 48 -6.441 -2.044 -1.436 1.00 0.00 O ATOM 629 CB CYS 1 48 -3.832 -0.466 -1.291 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.295 0.810 -2.503 1.00 0.00 S ATOM 0 H CYS 1 48 -3.628 -2.276 0.361 1.00 0.00 H new ATOM 0 HA CYS 1 48 -4.990 0.207 0.406 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -2.889 -0.184 -0.823 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -3.659 -1.406 -1.815 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.136 -0.017 -0.728 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.472 -0.122 -1.299 1.00 0.00 C ATOM 637 C ASP 1 49 -9.044 1.270 -1.557 1.00 0.00 C ATOM 638 O ASP 1 49 -9.360 2.005 -0.621 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.395 -0.906 -0.364 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.556 -1.545 -1.100 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.328 -2.114 -2.188 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.693 -1.476 -0.588 1.00 0.00 O ATOM 0 H ASP 1 49 -6.962 0.860 -0.237 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.403 -0.657 -2.246 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -8.820 -1.680 0.144 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.780 -0.238 0.406 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.164 1.632 -2.832 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.689 2.941 -3.212 1.00 0.00 C ATOM 649 C GLN 1 50 -8.759 4.057 -2.740 1.00 0.00 C ATOM 650 O GLN 1 50 -9.209 5.073 -2.210 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.090 3.144 -2.628 1.00 0.00 C ATOM 652 CG GLN 1 50 -11.985 4.022 -3.486 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.401 4.109 -2.951 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.929 5.200 -2.734 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.024 2.956 -2.735 1.00 0.00 N ATOM 0 H GLN 1 50 -8.905 1.037 -3.619 1.00 0.00 H new ATOM 0 HA GLN 1 50 -9.750 2.979 -4.300 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.565 2.172 -2.499 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.001 3.589 -1.637 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -11.559 5.024 -3.542 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.008 3.628 -4.502 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.548 2.075 -2.929 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.978 2.952 -2.375 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.459 3.853 -2.931 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.456 4.834 -2.522 1.00 0.00 C ATOM 666 C CYS 1 51 -6.527 5.099 -1.018 1.00 0.00 C ATOM 667 O CYS 1 51 -6.039 6.121 -0.535 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.627 6.141 -3.296 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.953 6.090 -4.989 1.00 0.00 S ATOM 0 H CYS 1 51 -7.074 3.015 -3.367 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.475 4.419 -2.752 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.688 6.387 -3.345 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.139 6.945 -2.745 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.127 4.166 -0.282 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.251 4.288 1.166 1.00 0.00 C ATOM 676 C ARG 1 52 -7.122 2.918 1.826 1.00 0.00 C ATOM 677 O ARG 1 52 -7.839 1.982 1.471 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.593 4.923 1.535 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.783 5.120 3.030 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.126 6.403 3.511 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.555 7.563 2.733 1.00 0.00 N ATOM 682 CZ ARG 1 52 -9.718 8.185 2.909 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -10.571 7.763 3.834 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -10.030 9.233 2.158 1.00 0.00 N ATOM 0 H ARG 1 52 -7.536 3.315 -0.668 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.448 4.930 1.528 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.678 5.888 1.036 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -9.399 4.296 1.154 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -9.848 5.146 3.262 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -8.361 4.270 3.567 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -8.368 6.562 4.562 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.043 6.302 3.445 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.926 7.917 2.012 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -10.337 6.958 4.415 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -11.461 8.244 3.964 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -9.378 9.562 1.446 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -10.922 9.710 2.293 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.201 2.800 2.780 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.983 1.532 3.473 1.00 0.00 C ATOM 700 C PHE 1 53 -7.284 0.967 4.013 1.00 0.00 C ATOM 701 O PHE 1 53 -8.193 1.711 4.381 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.984 1.699 4.621 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.564 1.850 4.163 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.101 1.152 3.061 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.693 2.692 4.834 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.799 1.288 2.635 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.385 2.834 4.411 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.937 2.131 3.309 1.00 0.00 C ATOM 0 H PHE 1 53 -5.597 3.562 3.089 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.574 0.833 2.743 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.262 2.573 5.210 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.054 0.835 5.281 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.770 0.492 2.528 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.039 3.243 5.696 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.452 0.736 1.774 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.714 3.494 4.941 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.084 2.240 2.976 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.363 -0.354 4.065 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.554 -1.017 4.571 1.00 0.00 C ATOM 720 C LYS 1 54 -8.671 -0.806 6.075 1.00 0.00 C ATOM 721 O LYS 1 54 -7.751 -1.117 6.827 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.512 -2.512 4.248 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.324 -2.892 3.019 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.553 -3.835 2.110 1.00 0.00 C ATOM 725 CE LYS 1 54 -9.274 -4.050 0.788 1.00 0.00 C ATOM 726 NZ LYS 1 54 -10.015 -5.341 0.763 1.00 0.00 N ATOM 0 H LYS 1 54 -6.620 -0.985 3.764 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.428 -0.583 4.085 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.476 -2.813 4.096 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.884 -3.071 5.106 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.256 -3.365 3.329 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.593 -1.991 2.467 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.559 -3.429 1.922 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.416 -4.793 2.611 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.970 -3.229 0.616 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.551 -4.031 -0.027 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -10.492 -5.450 -0.155 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -9.348 -6.127 0.901 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -10.723 -5.350 1.525 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.801 -0.269 6.516 1.00 0.00 N ATOM 741 CA LYS 1 55 -10.014 -0.022 7.937 1.00 0.00 C ATOM 742 C LYS 1 55 -9.629 -1.247 8.759 1.00 0.00 C ATOM 743 O LYS 1 55 -10.170 -2.339 8.553 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.476 0.347 8.200 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.769 0.670 9.656 1.00 0.00 C ATOM 746 CD LYS 1 55 -13.257 0.866 9.894 1.00 0.00 C ATOM 747 CE LYS 1 55 -13.635 0.564 11.335 1.00 0.00 C ATOM 748 NZ LYS 1 55 -14.973 -0.080 11.436 1.00 0.00 N ATOM 0 H LYS 1 55 -10.580 0.002 5.916 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.380 0.812 8.238 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.741 1.207 7.585 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -12.113 -0.479 7.884 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.401 -0.137 10.290 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -11.231 1.573 9.945 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -13.533 1.892 9.652 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -13.822 0.217 9.225 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -12.883 -0.090 11.778 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -13.633 1.489 11.912 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -15.193 -0.269 12.435 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -15.694 0.554 11.037 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -14.968 -0.975 10.907 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.679 -1.067 9.681 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.220 -2.166 10.525 1.00 0.00 C ATOM 764 C ALA 1 56 -9.370 -3.101 10.857 1.00 0.00 C ATOM 765 O ALA 1 56 -10.447 -2.661 11.259 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.589 -1.650 11.803 1.00 0.00 C ATOM 0 H ALA 1 56 -8.217 -0.175 9.859 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.463 -2.717 9.967 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.257 -2.492 12.411 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.734 -1.020 11.558 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.322 -1.067 12.361 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.146 -4.385 10.656 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.188 -5.357 10.907 1.00 0.00 C ATOM 774 C GLY 1 57 -10.591 -6.065 9.633 1.00 0.00 C ATOM 775 O GLY 1 57 -11.244 -7.108 9.671 1.00 0.00 O ATOM 0 H GLY 1 57 -8.264 -4.774 10.324 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.840 -6.087 11.638 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.056 -4.860 11.341 1.00 0.00 H new ATOM 779 N THR 1 58 -10.184 -5.500 8.496 1.00 0.00 N ATOM 780 CA THR 1 58 -10.481 -6.093 7.202 1.00 0.00 C ATOM 781 C THR 1 58 -9.575 -7.298 6.962 1.00 0.00 C ATOM 782 O THR 1 58 -8.355 -7.158 6.882 1.00 0.00 O ATOM 783 CB THR 1 58 -10.280 -5.063 6.088 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.170 -3.972 6.245 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.494 -5.637 4.707 1.00 0.00 C ATOM 0 H THR 1 58 -9.648 -4.633 8.450 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.521 -6.419 7.197 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.243 -4.738 6.175 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.875 -3.414 6.995 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.337 -4.858 3.961 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.788 -6.450 4.537 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.512 -6.018 4.625 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.171 -8.480 6.858 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.403 -9.698 6.640 1.00 0.00 C ATOM 795 C VAL 1 59 -8.858 -9.766 5.215 1.00 0.00 C ATOM 796 O VAL 1 59 -9.611 -9.655 4.247 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.248 -10.958 6.917 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.444 -11.020 5.978 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.398 -12.214 6.792 1.00 0.00 C ATOM 0 H VAL 1 59 -11.179 -8.620 6.921 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.569 -9.669 7.341 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.621 -10.901 7.940 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.027 -11.916 6.190 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.068 -10.138 6.125 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.095 -11.050 4.946 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.014 -13.091 6.991 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.990 -12.278 5.783 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.581 -12.173 7.512 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.545 -9.945 5.095 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.902 -10.024 3.782 1.00 0.00 C ATOM 811 C CYS 1 60 -6.317 -11.414 3.519 1.00 0.00 C ATOM 812 O CYS 1 60 -6.053 -11.775 2.373 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.792 -8.976 3.667 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.166 -7.388 4.477 1.00 0.00 S ATOM 0 H CYS 1 60 -6.907 -10.038 5.885 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.671 -9.829 3.034 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.878 -9.384 4.100 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.591 -8.793 2.612 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.109 -12.183 4.582 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.544 -13.529 4.459 1.00 0.00 C ATOM 821 C ARG 1 61 -6.002 -14.420 5.614 1.00 0.00 C ATOM 822 O ARG 1 61 -6.715 -13.973 6.513 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.008 -13.456 4.429 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.342 -14.624 3.714 1.00 0.00 C ATOM 825 CD ARG 1 61 -1.950 -14.263 3.208 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.137 -13.593 4.224 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.012 -12.271 4.328 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.658 -11.464 3.494 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.239 -11.753 5.272 1.00 0.00 N ATOM 0 H ARG 1 61 -6.322 -11.901 5.539 1.00 0.00 H new ATOM 0 HA ARG 1 61 -5.901 -13.965 3.526 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.709 -12.528 3.942 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.637 -13.412 5.453 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -3.272 -15.473 4.394 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.963 -14.938 2.875 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -1.441 -15.169 2.880 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.041 -13.615 2.336 1.00 0.00 H new ATOM 0 HE ARG 1 61 -0.635 -14.175 4.894 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -2.256 -11.855 2.766 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -1.556 -10.453 3.581 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.259 -12.367 5.917 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.142 -10.741 5.353 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.579 -15.679 5.587 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.930 -16.631 6.631 1.00 0.00 C ATOM 845 C ILE 1 62 -5.250 -17.970 6.378 1.00 0.00 C ATOM 846 O ILE 1 62 -5.261 -18.486 5.261 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.454 -16.834 6.739 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -7.786 -17.918 7.769 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.045 -17.185 5.382 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.320 -17.584 9.169 1.00 0.00 C ATOM 0 H ILE 1 62 -4.990 -16.064 4.849 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.580 -16.216 7.576 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.899 -15.898 7.075 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -8.864 -18.077 7.782 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.329 -18.857 7.457 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.122 -17.324 5.479 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.846 -16.377 4.678 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.592 -18.106 5.015 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -7.589 -18.396 9.845 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.238 -17.453 9.171 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -7.797 -16.662 9.501 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.653 -18.518 7.424 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.954 -19.792 7.325 1.00 0.00 C ATOM 864 C ALA 1 63 -4.898 -20.905 6.887 1.00 0.00 C ATOM 865 O ALA 1 63 -4.864 -21.344 5.737 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.286 -20.136 8.647 1.00 0.00 C ATOM 0 H ALA 1 63 -4.638 -18.100 8.354 1.00 0.00 H new ATOM 0 HA ALA 1 63 -3.180 -19.696 6.563 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.768 -21.091 8.555 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.568 -19.357 8.905 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.042 -20.207 9.429 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.741 -21.357 7.807 1.00 0.00 N ATOM 873 CA ARG 1 64 -6.696 -22.420 7.511 1.00 0.00 C ATOM 874 C ARG 1 64 -7.598 -22.699 8.708 1.00 0.00 C ATOM 875 O ARG 1 64 -7.485 -23.740 9.356 1.00 0.00 O ATOM 876 CB ARG 1 64 -5.960 -23.697 7.105 1.00 0.00 C ATOM 877 CG ARG 1 64 -6.847 -24.716 6.409 1.00 0.00 C ATOM 878 CD ARG 1 64 -7.482 -25.672 7.405 1.00 0.00 C ATOM 879 NE ARG 1 64 -7.683 -27.003 6.835 1.00 0.00 N ATOM 880 CZ ARG 1 64 -8.515 -27.909 7.343 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -9.225 -27.633 8.430 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -8.637 -29.095 6.762 1.00 0.00 N ATOM 0 H ARG 1 64 -5.784 -21.005 8.763 1.00 0.00 H new ATOM 0 HA ARG 1 64 -7.321 -22.087 6.682 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -5.134 -23.435 6.444 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -5.525 -24.154 7.994 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -7.627 -24.200 5.850 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -6.257 -25.280 5.686 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -6.849 -25.748 8.289 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -8.440 -25.270 7.733 1.00 0.00 H new ATOM 0 HE ARG 1 64 -7.155 -27.252 5.999 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -9.135 -26.722 8.881 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -9.861 -28.331 8.815 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -8.093 -29.312 5.927 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -9.274 -29.790 7.151 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.497 -21.765 8.994 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.407 -21.933 10.110 1.00 0.00 C ATOM 898 C GLY 1 65 -9.761 -20.620 10.777 1.00 0.00 C ATOM 899 O GLY 1 65 -10.416 -19.766 10.179 1.00 0.00 O ATOM 0 H GLY 1 65 -8.612 -20.895 8.473 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -10.319 -22.416 9.760 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.955 -22.599 10.845 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.325 -20.463 12.020 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.593 -19.249 12.782 1.00 0.00 C ATOM 905 C ASP 1 66 -8.753 -19.219 14.054 1.00 0.00 C ATOM 906 O ASP 1 66 -9.210 -19.621 15.124 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.079 -19.155 13.132 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.872 -18.392 12.090 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.502 -17.237 11.791 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.864 -18.948 11.573 1.00 0.00 O ATOM 0 H ASP 1 66 -8.782 -21.164 12.524 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.323 -18.392 12.165 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.490 -20.160 13.233 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.191 -18.666 14.100 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.519 -18.749 13.923 1.00 0.00 N ATOM 916 CA TRP 1 67 -6.598 -18.671 15.054 1.00 0.00 C ATOM 917 C TRP 1 67 -6.163 -17.231 15.290 1.00 0.00 C ATOM 918 O TRP 1 67 -6.537 -16.605 16.282 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.367 -19.550 14.790 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.307 -20.088 13.389 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.091 -19.380 12.238 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.476 -21.451 12.992 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.126 -20.219 11.156 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.355 -21.497 11.591 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.717 -22.636 13.687 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.469 -22.684 10.873 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.829 -23.816 12.975 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.705 -23.832 11.580 1.00 0.00 C ATOM 0 H TRP 1 67 -7.130 -18.414 13.042 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.112 -19.031 15.945 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -4.466 -18.969 14.987 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.368 -20.384 15.492 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.918 -18.315 12.190 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.002 -19.937 10.184 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -5.814 -22.632 14.763 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.375 -22.699 9.797 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.015 -24.740 13.503 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.797 -24.769 11.051 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.378 -16.716 14.357 1.00 0.00 N ATOM 940 CA ASN 1 68 -4.884 -15.347 14.427 1.00 0.00 C ATOM 941 C ASN 1 68 -5.511 -14.510 13.325 1.00 0.00 C ATOM 942 O ASN 1 68 -5.813 -13.332 13.515 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.365 -15.310 14.279 1.00 0.00 C ATOM 944 CG ASN 1 68 -2.678 -16.472 14.972 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.716 -17.641 14.342 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -2.119 -16.320 16.058 1.00 0.00 N flip ATOM 0 H ASN 1 68 -5.066 -17.231 13.534 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.156 -14.939 15.401 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.107 -15.321 13.220 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -2.987 -14.373 14.689 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.115 -15.403 16.506 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -1.660 -17.111 16.510 1.00 0.00 H new ATOM 953 N ASP 1 69 -5.701 -15.137 12.169 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.292 -14.470 11.021 1.00 0.00 C ATOM 955 C ASP 1 69 -5.429 -13.319 10.540 1.00 0.00 C ATOM 956 O ASP 1 69 -4.607 -12.785 11.284 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.669 -13.930 11.376 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.758 -14.978 11.254 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.610 -16.061 11.857 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.759 -14.715 10.554 1.00 0.00 O ATOM 0 H ASP 1 69 -5.452 -16.112 12.005 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.371 -15.209 10.224 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.652 -13.546 12.396 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.905 -13.090 10.723 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.653 -12.920 9.297 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.931 -11.805 8.719 1.00 0.00 C ATOM 967 C ASP 1 70 -5.848 -10.607 8.639 1.00 0.00 C ATOM 968 O ASP 1 70 -6.965 -10.709 8.134 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.397 -12.154 7.334 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.637 -11.002 6.707 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.548 -9.934 7.347 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -3.135 -11.164 5.577 1.00 0.00 O ATOM 0 H ASP 1 70 -6.331 -13.355 8.671 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.077 -11.572 9.355 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.742 -13.022 7.407 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.227 -12.435 6.686 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.399 -9.480 9.167 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.231 -8.295 9.174 1.00 0.00 C ATOM 979 C TYR 1 71 -5.464 -7.021 8.888 1.00 0.00 C ATOM 980 O TYR 1 71 -4.370 -6.799 9.406 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.918 -8.180 10.522 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.081 -9.116 10.657 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.249 -8.865 9.969 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.012 -10.245 11.459 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.332 -9.704 10.070 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.088 -11.100 11.572 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.252 -10.826 10.876 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.331 -11.672 10.983 1.00 0.00 O ATOM 0 H TYR 1 71 -4.478 -9.364 9.589 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.958 -8.409 8.370 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.196 -8.386 11.312 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.262 -7.156 10.664 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.314 -7.991 9.338 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.103 -10.458 12.003 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.239 -9.490 9.524 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.023 -11.977 12.199 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.109 -12.411 11.587 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.080 -6.171 8.080 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.502 -4.887 7.735 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.346 -4.044 8.996 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.995 -4.310 10.008 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.397 -4.171 6.725 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.649 -2.687 5.988 1.00 0.00 S ATOM 0 H CYS 1 72 -6.987 -6.352 7.650 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.520 -5.038 7.286 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.656 -4.868 5.928 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.328 -3.889 7.217 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.482 -3.039 8.941 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.249 -2.178 10.096 1.00 0.00 C ATOM 1010 C THR 1 73 -4.694 -0.741 9.827 1.00 0.00 C ATOM 1011 O THR 1 73 -4.846 0.052 10.756 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.770 -2.211 10.482 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.966 -1.691 9.438 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.271 -3.606 10.798 1.00 0.00 C ATOM 0 H THR 1 73 -3.933 -2.800 8.115 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.847 -2.559 10.924 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.689 -1.599 11.380 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -1.043 -2.000 9.551 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.215 -3.563 11.065 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.840 -4.015 11.633 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.399 -4.245 9.924 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.900 -0.408 8.556 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.325 0.934 8.202 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.194 1.944 8.271 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.410 3.140 8.075 1.00 0.00 O ATOM 0 H GLY 1 74 -4.780 -1.043 7.766 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.738 0.926 7.193 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.126 1.246 8.872 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.985 1.464 8.549 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.819 2.334 8.641 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.768 1.962 7.596 1.00 0.00 C ATOM 1032 O LYS 1 75 0.249 2.642 7.461 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.210 2.248 10.042 1.00 0.00 C ATOM 1034 CG LYS 1 75 -0.666 0.870 10.383 1.00 0.00 C ATOM 1035 CD LYS 1 75 0.751 0.946 10.927 1.00 0.00 C ATOM 1036 CE LYS 1 75 0.961 -0.029 12.075 1.00 0.00 C ATOM 1037 NZ LYS 1 75 0.850 0.641 13.400 1.00 0.00 N ATOM 0 H LYS 1 75 -2.788 0.477 8.714 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.145 3.356 8.449 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.405 2.978 10.125 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -1.967 2.523 10.776 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -1.314 0.395 11.119 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -0.681 0.242 9.492 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 1.460 0.728 10.129 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 0.957 1.961 11.268 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 0.224 -0.830 12.010 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 1.944 -0.492 11.983 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 0.999 -0.058 14.156 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 1.569 1.389 13.472 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -0.096 1.061 13.499 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.014 0.880 6.861 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.080 0.428 5.835 1.00 0.00 C ATOM 1053 C SER 1 76 -0.779 -0.463 4.813 1.00 0.00 C ATOM 1054 O SER 1 76 -1.922 -0.870 5.009 1.00 0.00 O ATOM 1055 CB SER 1 76 1.083 -0.330 6.476 1.00 0.00 C ATOM 1056 OG SER 1 76 2.021 -0.748 5.499 1.00 0.00 O ATOM 0 H SER 1 76 -1.849 0.302 6.957 1.00 0.00 H new ATOM 0 HA SER 1 76 0.306 1.307 5.319 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.577 0.308 7.209 1.00 0.00 H new ATOM 0 HB3 SER 1 76 0.703 -1.198 7.014 1.00 0.00 H new ATOM 0 HG SER 1 76 2.755 -1.229 5.935 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.076 -0.765 3.724 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.617 -1.614 2.665 1.00 0.00 C ATOM 1064 C SER 1 77 -0.333 -3.090 2.945 1.00 0.00 C ATOM 1065 O SER 1 77 -0.506 -3.939 2.070 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.020 -1.219 1.311 1.00 0.00 C ATOM 1067 OG SER 1 77 0.632 0.037 1.386 1.00 0.00 O ATOM 0 H SER 1 77 0.873 -0.433 3.551 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.697 -1.470 2.638 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.689 -1.981 0.987 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -0.809 -1.178 0.560 1.00 0.00 H new ATOM 0 HG SER 1 77 0.144 0.623 2.002 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.104 -3.391 4.166 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.411 -4.764 4.548 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.652 -5.331 5.485 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.065 -4.678 6.443 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.785 -4.832 5.219 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.912 -4.976 4.215 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 3.110 -4.043 3.408 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.596 -6.020 4.236 1.00 0.00 O ATOM 0 H ASP 1 78 0.253 -2.703 4.905 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.422 -5.368 3.641 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.942 -3.930 5.811 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.808 -5.675 5.910 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.081 -6.557 5.202 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.088 -7.231 6.014 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.458 -8.396 6.780 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.270 -9.478 6.225 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.222 -7.748 5.124 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.367 -6.453 4.548 1.00 0.00 S ATOM 0 H CYS 1 79 -0.744 -7.107 4.411 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.494 -6.516 6.729 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.790 -8.247 4.257 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.788 -8.499 5.675 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.116 -8.191 8.065 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.497 -9.238 8.891 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.447 -10.401 9.173 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.573 -10.197 9.622 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.150 -8.505 10.192 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.087 -7.348 10.239 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.294 -6.932 8.811 1.00 0.00 C ATOM 0 HA PRO 1 80 0.362 -9.690 8.395 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.279 -9.154 11.058 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.888 -8.173 10.194 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.031 -7.628 10.706 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.670 -6.531 10.828 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.286 -6.508 8.655 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.572 -6.176 8.503 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.979 -11.620 8.903 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.782 -12.827 9.120 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.534 -13.455 10.487 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.315 -14.283 10.955 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.521 -13.853 8.021 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.086 -14.267 7.865 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.020 -13.756 8.486 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.383 -15.298 7.005 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.148 -14.407 8.045 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.778 -15.361 7.134 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.255 -16.169 6.135 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.547 -16.271 6.415 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.502 -17.076 5.420 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.894 -17.120 5.563 1.00 0.00 C ATOM 0 H TRP 1 81 -0.046 -11.799 8.533 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.827 -12.518 9.086 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -2.119 -14.741 8.225 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.870 -13.444 7.073 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.009 -12.959 9.215 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.103 -14.212 8.346 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.328 -16.139 6.018 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.621 -16.306 6.525 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 0.014 -17.760 4.742 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 2.463 -17.837 4.990 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.450 -13.053 11.114 1.00 0.00 N ATOM 1134 CA ASN 1 82 -0.080 -13.561 12.431 1.00 0.00 C ATOM 1135 C ASN 1 82 0.164 -15.066 12.390 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.361 -15.813 13.217 1.00 0.00 O ATOM 1137 CB ASN 1 82 -1.173 -13.234 13.451 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.060 -11.819 13.985 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -0.114 -11.486 14.699 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.029 -10.978 13.641 1.00 0.00 N ATOM 0 H ASN 1 82 0.202 -12.368 10.733 1.00 0.00 H new ATOM 0 HA ASN 1 82 0.847 -13.073 12.733 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.150 -13.368 12.988 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -1.115 -13.938 14.281 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -2.008 -10.013 13.971 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.794 -11.297 13.047 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.965 -15.506 11.426 1.00 0.00 N ATOM 1148 CA HIS 1 83 1.280 -16.923 11.281 1.00 0.00 C ATOM 1149 C HIS 1 83 2.770 -17.127 11.029 1.00 0.00 C ATOM 1150 O HIS 1 83 3.263 -18.248 11.275 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.470 -17.532 10.136 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.993 -17.225 10.212 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.750 -16.887 9.112 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -1.840 -17.204 11.268 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -2.997 -16.670 9.487 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -3.078 -16.857 10.791 1.00 0.00 N ATOM 1157 OXT HIS 1 83 3.433 -16.164 10.588 1.00 0.00 O ATOM 0 H HIS 1 83 1.408 -14.902 10.733 1.00 0.00 H new ATOM 0 HA HIS 1 83 1.016 -17.425 12.212 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 0.862 -17.164 9.188 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.607 -18.613 10.139 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -1.401 -16.815 8.156 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -1.587 -17.420 12.296 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.812 -16.388 8.837 1.00 0.00 H new