USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=16 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= -0.798 F(o=-12!,f=-9.8) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -9.05! C(o=-12!,f=-9.8!) USER MOD Set 2.1: 1 37 THR OG1 : rot -148:sc= 1.15 USER MOD Set 2.2: 1 40 SER OG : rot 135:sc= 1.03 USER MOD Single : 1 7 ASN : amide:sc= -1.93 X(o=-1.9,f=-1.6) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -3.44 K(o=-3.4,f=-5.5!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN :FLIP amide:sc= 0.444 F(o=-0.3,f=0.44) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : 1 30 ASN :FLIP amide:sc= -0.624 F(o=-5.4!,f=-0.62) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 41 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.0042) USER MOD Single : 1 43 ASN : amide:sc= -4.21 K(o=-4.2,f=-4.8!) 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+ 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 77:sc= 0.729 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ -155:sc= -0.168 (180deg=-0.523) USER MOD Single : 1 76 SER OG : rot 44:sc= 1.28 USER MOD Single : 1 77 SER OG : rot -91:sc= 0.955 USER MOD Single : 1 82 ASN :FLIP amide:sc= 0.572 F(o=-0.83,f=0.57) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 14.434 0.036 -8.596 1.00 0.00 N ATOM 29 CA PRO 1 3 14.017 1.094 -7.683 1.00 0.00 C ATOM 30 C PRO 1 3 14.475 2.467 -8.157 1.00 0.00 C ATOM 31 O PRO 1 3 15.579 2.907 -7.836 1.00 0.00 O ATOM 32 CB PRO 1 3 14.708 0.726 -6.357 1.00 0.00 C ATOM 33 CG PRO 1 3 15.502 -0.517 -6.629 1.00 0.00 C ATOM 34 CD PRO 1 3 15.657 -0.606 -8.119 1.00 0.00 C ATOM 0 HA PRO 1 3 12.932 1.160 -7.603 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.355 1.535 -6.018 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 13.974 0.554 -5.570 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 16.475 -0.471 -6.140 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 14.991 -1.397 -6.239 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 16.551 -0.088 -8.467 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 15.734 -1.639 -8.459 1.00 0.00 H new ATOM 42 N VAL 1 4 13.622 3.143 -8.919 1.00 0.00 N ATOM 43 CA VAL 1 4 13.947 4.468 -9.430 1.00 0.00 C ATOM 44 C VAL 1 4 12.950 5.508 -8.941 1.00 0.00 C ATOM 45 O VAL 1 4 11.795 5.527 -9.366 1.00 0.00 O ATOM 46 CB VAL 1 4 13.982 4.488 -10.972 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.367 4.114 -11.478 1.00 0.00 C ATOM 48 CG2 VAL 1 4 12.927 3.555 -11.550 1.00 0.00 C ATOM 0 H VAL 1 4 12.703 2.796 -9.195 1.00 0.00 H new ATOM 0 HA VAL 1 4 14.939 4.715 -9.051 1.00 0.00 H new ATOM 0 HB VAL 1 4 13.756 5.501 -11.306 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 15.374 4.133 -12.568 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.098 4.828 -11.098 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 15.623 3.113 -11.131 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 12.971 3.586 -12.639 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 13.115 2.537 -11.208 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 11.939 3.873 -11.218 1.00 0.00 H new ATOM 58 N CYS 1 5 13.413 6.385 -8.056 1.00 0.00 N ATOM 59 CA CYS 1 5 12.568 7.443 -7.525 1.00 0.00 C ATOM 60 C CYS 1 5 12.517 8.579 -8.535 1.00 0.00 C ATOM 61 O CYS 1 5 13.521 9.248 -8.781 1.00 0.00 O ATOM 62 CB CYS 1 5 13.119 7.952 -6.189 1.00 0.00 C ATOM 63 SG CYS 1 5 11.954 7.822 -4.795 1.00 0.00 S ATOM 0 H CYS 1 5 14.366 6.382 -7.694 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.565 7.054 -7.351 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 14.022 7.392 -5.945 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 13.413 8.995 -6.305 1.00 0.00 H new ATOM 68 N GLY 1 6 11.362 8.764 -9.149 1.00 0.00 N ATOM 69 CA GLY 1 6 11.224 9.787 -10.161 1.00 0.00 C ATOM 70 C GLY 1 6 11.197 9.165 -11.540 1.00 0.00 C ATOM 71 O GLY 1 6 11.590 9.784 -12.529 1.00 0.00 O ATOM 0 H GLY 1 6 10.516 8.224 -8.965 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.308 10.353 -9.992 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.052 10.492 -10.089 1.00 0.00 H new ATOM 75 N ASN 1 7 10.729 7.924 -11.585 1.00 0.00 N ATOM 76 CA ASN 1 7 10.631 7.163 -12.817 1.00 0.00 C ATOM 77 C ASN 1 7 9.226 6.601 -12.957 1.00 0.00 C ATOM 78 O ASN 1 7 8.958 5.763 -13.818 1.00 0.00 O ATOM 79 CB ASN 1 7 11.646 6.017 -12.796 1.00 0.00 C ATOM 80 CG ASN 1 7 12.954 6.390 -13.466 1.00 0.00 C ATOM 81 OD1 ASN 1 7 13.291 5.869 -14.529 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.700 7.297 -12.845 1.00 0.00 N ATOM 0 H ASN 1 7 10.406 7.417 -10.761 1.00 0.00 H new ATOM 0 HA ASN 1 7 10.844 7.816 -13.664 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 11.840 5.726 -11.764 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.219 5.148 -13.297 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 14.591 7.587 -13.248 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.382 7.703 -11.965 1.00 0.00 H new ATOM 89 N LYS 1 8 8.336 7.055 -12.079 1.00 0.00 N ATOM 90 CA LYS 1 8 6.961 6.593 -12.067 1.00 0.00 C ATOM 91 C LYS 1 8 6.894 5.162 -11.547 1.00 0.00 C ATOM 92 O LYS 1 8 5.895 4.467 -11.737 1.00 0.00 O ATOM 93 CB LYS 1 8 6.343 6.681 -13.465 1.00 0.00 C ATOM 94 CG LYS 1 8 4.844 6.935 -13.452 1.00 0.00 C ATOM 95 CD LYS 1 8 4.253 6.853 -14.850 1.00 0.00 C ATOM 96 CE LYS 1 8 4.620 8.072 -15.681 1.00 0.00 C ATOM 97 NZ LYS 1 8 4.491 7.808 -17.141 1.00 0.00 N ATOM 0 H LYS 1 8 8.550 7.749 -11.363 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.387 7.238 -11.402 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 6.834 7.480 -14.021 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.541 5.752 -14.000 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.356 6.205 -12.806 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 4.644 7.919 -13.029 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 4.612 5.951 -15.346 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 3.168 6.770 -14.784 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 3.976 8.907 -15.405 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 5.644 8.371 -15.455 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 4.750 8.663 -17.673 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 5.124 7.028 -17.410 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 3.508 7.548 -17.361 1.00 0.00 H new ATOM 111 N ILE 1 9 7.968 4.727 -10.889 1.00 0.00 N ATOM 112 CA ILE 1 9 8.035 3.385 -10.342 1.00 0.00 C ATOM 113 C ILE 1 9 7.962 3.412 -8.822 1.00 0.00 C ATOM 114 O ILE 1 9 8.744 4.098 -8.166 1.00 0.00 O ATOM 115 CB ILE 1 9 9.335 2.659 -10.788 1.00 0.00 C ATOM 116 CG1 ILE 1 9 8.999 1.323 -11.446 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.295 2.437 -9.624 1.00 0.00 C ATOM 118 CD1 ILE 1 9 10.146 0.734 -12.236 1.00 0.00 C ATOM 0 H ILE 1 9 8.802 5.291 -10.725 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.177 2.835 -10.729 1.00 0.00 H new ATOM 0 HB ILE 1 9 9.833 3.305 -11.511 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 8.697 0.614 -10.676 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 8.144 1.458 -12.108 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.189 1.927 -9.982 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.574 3.399 -9.194 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.809 1.826 -8.863 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 9.836 -0.214 -12.675 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 10.434 1.424 -13.029 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 10.996 0.567 -11.574 1.00 0.00 H new ATOM 130 N LEU 1 10 7.045 2.639 -8.266 1.00 0.00 N ATOM 131 CA LEU 1 10 6.916 2.552 -6.823 1.00 0.00 C ATOM 132 C LEU 1 10 7.836 1.449 -6.330 1.00 0.00 C ATOM 133 O LEU 1 10 7.393 0.472 -5.726 1.00 0.00 O ATOM 134 CB LEU 1 10 5.467 2.269 -6.412 1.00 0.00 C ATOM 135 CG LEU 1 10 4.689 1.344 -7.349 1.00 0.00 C ATOM 136 CD1 LEU 1 10 3.758 0.441 -6.555 1.00 0.00 C ATOM 137 CD2 LEU 1 10 3.906 2.158 -8.368 1.00 0.00 C ATOM 0 H LEU 1 10 6.383 2.066 -8.789 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.197 3.505 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 5.469 1.830 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 4.935 3.218 -6.341 1.00 0.00 H new ATOM 0 HG LEU 1 10 5.401 0.715 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.213 -0.210 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 4.342 -0.166 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 3.051 1.051 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 3.358 1.485 -9.027 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 3.203 2.811 -7.850 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 4.595 2.762 -8.958 1.00 0.00 H new ATOM 149 N GLU 1 11 9.127 1.608 -6.615 1.00 0.00 N ATOM 150 CA GLU 1 11 10.120 0.616 -6.225 1.00 0.00 C ATOM 151 C GLU 1 11 11.224 1.251 -5.398 1.00 0.00 C ATOM 152 O GLU 1 11 11.631 0.702 -4.375 1.00 0.00 O ATOM 153 CB GLU 1 11 10.709 -0.062 -7.463 1.00 0.00 C ATOM 154 CG GLU 1 11 11.741 -1.130 -7.139 1.00 0.00 C ATOM 155 CD GLU 1 11 11.190 -2.218 -6.238 1.00 0.00 C ATOM 156 OE1 GLU 1 11 10.053 -2.674 -6.485 1.00 0.00 O ATOM 157 OE2 GLU 1 11 11.895 -2.616 -5.287 1.00 0.00 O ATOM 0 H GLU 1 11 9.507 2.413 -7.113 1.00 0.00 H new ATOM 0 HA GLU 1 11 9.625 -0.138 -5.613 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 9.901 -0.512 -8.039 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.169 0.695 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 12.099 -1.578 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 12.601 -0.665 -6.657 1.00 0.00 H new ATOM 164 N GLN 1 12 11.709 2.411 -5.839 1.00 0.00 N ATOM 165 CA GLN 1 12 12.770 3.104 -5.107 1.00 0.00 C ATOM 166 C GLN 1 12 12.278 3.600 -3.742 1.00 0.00 C ATOM 167 O GLN 1 12 12.225 4.804 -3.491 1.00 0.00 O ATOM 168 CB GLN 1 12 13.308 4.277 -5.926 1.00 0.00 C ATOM 169 CG GLN 1 12 14.801 4.505 -5.752 1.00 0.00 C ATOM 170 CD GLN 1 12 15.118 5.457 -4.616 1.00 0.00 C ATOM 171 OE1 GLN 1 12 14.233 6.132 -4.090 1.00 0.00 O ATOM 172 NE2 GLN 1 12 16.388 5.516 -4.231 1.00 0.00 N ATOM 0 H GLN 1 12 11.391 2.885 -6.685 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.574 2.388 -4.938 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.096 4.101 -6.981 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.775 5.184 -5.641 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.291 3.549 -5.567 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.214 4.902 -6.679 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 17.089 4.938 -4.695 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 16.662 6.139 -3.471 1.00 0.00 H new ATOM 181 N GLY 1 13 11.934 2.656 -2.861 1.00 0.00 N ATOM 182 CA GLY 1 13 11.463 2.986 -1.519 1.00 0.00 C ATOM 183 C GLY 1 13 10.587 4.228 -1.460 1.00 0.00 C ATOM 184 O GLY 1 13 10.652 4.992 -0.497 1.00 0.00 O ATOM 0 H GLY 1 13 11.974 1.656 -3.057 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.902 2.139 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.325 3.130 -0.868 1.00 0.00 H new ATOM 188 N GLU 1 14 9.770 4.430 -2.486 1.00 0.00 N ATOM 189 CA GLU 1 14 8.885 5.591 -2.535 1.00 0.00 C ATOM 190 C GLU 1 14 7.472 5.246 -2.071 1.00 0.00 C ATOM 191 O GLU 1 14 6.877 5.967 -1.270 1.00 0.00 O ATOM 192 CB GLU 1 14 8.845 6.195 -3.946 1.00 0.00 C ATOM 193 CG GLU 1 14 8.411 5.229 -5.037 1.00 0.00 C ATOM 194 CD GLU 1 14 9.485 4.223 -5.383 1.00 0.00 C ATOM 195 OE1 GLU 1 14 9.540 3.172 -4.714 1.00 0.00 O ATOM 196 OE2 GLU 1 14 10.275 4.489 -6.313 1.00 0.00 O ATOM 0 H GLU 1 14 9.700 3.809 -3.293 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.293 6.332 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.166 7.047 -3.943 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.836 6.578 -4.191 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 7.514 4.701 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 8.144 5.792 -5.931 1.00 0.00 H new ATOM 203 N ASP 1 15 6.932 4.149 -2.591 1.00 0.00 N ATOM 204 CA ASP 1 15 5.579 3.718 -2.246 1.00 0.00 C ATOM 205 C ASP 1 15 4.534 4.648 -2.868 1.00 0.00 C ATOM 206 O ASP 1 15 3.350 4.569 -2.541 1.00 0.00 O ATOM 207 CB ASP 1 15 5.398 3.670 -0.726 1.00 0.00 C ATOM 208 CG ASP 1 15 6.563 2.999 -0.025 1.00 0.00 C ATOM 209 OD1 ASP 1 15 7.006 1.932 -0.497 1.00 0.00 O ATOM 210 OD2 ASP 1 15 7.033 3.542 0.997 1.00 0.00 O ATOM 0 H ASP 1 15 7.411 3.540 -3.255 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.435 2.716 -2.649 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 5.284 4.685 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.478 3.135 -0.489 1.00 0.00 H new ATOM 215 N CYS 1 16 4.984 5.523 -3.771 1.00 0.00 N ATOM 216 CA CYS 1 16 4.106 6.472 -4.456 1.00 0.00 C ATOM 217 C CYS 1 16 4.923 7.577 -5.112 1.00 0.00 C ATOM 218 O CYS 1 16 5.123 8.644 -4.533 1.00 0.00 O ATOM 219 CB CYS 1 16 3.087 7.087 -3.493 1.00 0.00 C ATOM 220 SG CYS 1 16 1.400 6.413 -3.650 1.00 0.00 S ATOM 0 H CYS 1 16 5.964 5.593 -4.046 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.563 5.920 -5.224 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.433 6.933 -2.471 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.052 8.164 -3.659 1.00 0.00 H new ATOM 225 N ASP 1 17 5.393 7.315 -6.326 1.00 0.00 N ATOM 226 CA ASP 1 17 6.188 8.290 -7.058 1.00 0.00 C ATOM 227 C ASP 1 17 5.755 8.372 -8.516 1.00 0.00 C ATOM 228 O ASP 1 17 5.117 7.462 -9.045 1.00 0.00 O ATOM 229 CB ASP 1 17 7.674 7.935 -6.982 1.00 0.00 C ATOM 230 CG ASP 1 17 8.542 8.897 -7.772 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.953 9.930 -7.205 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.806 8.617 -8.960 1.00 0.00 O ATOM 0 H ASP 1 17 5.237 6.437 -6.822 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.026 9.263 -6.594 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.992 7.936 -5.939 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.822 6.923 -7.359 1.00 0.00 H new ATOM 237 N CYS 1 18 6.122 9.472 -9.157 1.00 0.00 N ATOM 238 CA CYS 1 18 5.798 9.699 -10.557 1.00 0.00 C ATOM 239 C CYS 1 18 7.071 9.941 -11.362 1.00 0.00 C ATOM 240 O CYS 1 18 8.051 10.477 -10.844 1.00 0.00 O ATOM 241 CB CYS 1 18 4.867 10.902 -10.700 1.00 0.00 C ATOM 242 SG CYS 1 18 3.203 10.651 -10.001 1.00 0.00 S ATOM 0 H CYS 1 18 6.650 10.229 -8.723 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.295 8.811 -10.940 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.327 11.762 -10.213 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.771 11.148 -11.757 1.00 0.00 H new ATOM 247 N GLY 1 19 7.055 9.552 -12.631 1.00 0.00 N ATOM 248 CA GLY 1 19 8.217 9.749 -13.478 1.00 0.00 C ATOM 249 C GLY 1 19 8.705 11.186 -13.452 1.00 0.00 C ATOM 250 O GLY 1 19 9.900 11.442 -13.303 1.00 0.00 O ATOM 0 H GLY 1 19 6.261 9.105 -13.088 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.020 9.088 -13.151 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.970 9.469 -14.502 1.00 0.00 H new ATOM 254 N SER 1 20 7.772 12.123 -13.591 1.00 0.00 N ATOM 255 CA SER 1 20 8.103 13.544 -13.576 1.00 0.00 C ATOM 256 C SER 1 20 7.067 14.332 -12.772 1.00 0.00 C ATOM 257 O SER 1 20 5.870 14.249 -13.046 1.00 0.00 O ATOM 258 CB SER 1 20 8.177 14.086 -15.004 1.00 0.00 C ATOM 259 OG SER 1 20 9.473 13.913 -15.549 1.00 0.00 O ATOM 0 H SER 1 20 6.779 11.923 -13.715 1.00 0.00 H new ATOM 0 HA SER 1 20 9.076 13.663 -13.100 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.445 13.574 -15.629 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.916 15.144 -15.009 1.00 0.00 H new ATOM 0 HG SER 1 20 9.493 14.266 -16.463 1.00 0.00 H new ATOM 265 N PRO 1 21 7.508 15.110 -11.765 1.00 0.00 N ATOM 266 CA PRO 1 21 6.605 15.909 -10.930 1.00 0.00 C ATOM 267 C PRO 1 21 5.572 16.680 -11.749 1.00 0.00 C ATOM 268 O PRO 1 21 4.479 16.975 -11.266 1.00 0.00 O ATOM 269 CB PRO 1 21 7.551 16.876 -10.220 1.00 0.00 C ATOM 270 CG PRO 1 21 8.841 16.139 -10.130 1.00 0.00 C ATOM 271 CD PRO 1 21 8.919 15.272 -11.359 1.00 0.00 C ATOM 0 HA PRO 1 21 6.018 15.285 -10.256 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.663 17.804 -10.780 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.177 17.143 -9.232 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.682 16.831 -10.088 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.881 15.534 -9.224 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.510 15.743 -12.144 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.386 14.311 -11.142 1.00 0.00 H new ATOM 279 N ALA 1 22 5.925 17.003 -12.989 1.00 0.00 N ATOM 280 CA ALA 1 22 5.027 17.737 -13.872 1.00 0.00 C ATOM 281 C ALA 1 22 4.066 16.791 -14.581 1.00 0.00 C ATOM 282 O ALA 1 22 2.944 17.167 -14.921 1.00 0.00 O ATOM 283 CB ALA 1 22 5.825 18.541 -14.887 1.00 0.00 C ATOM 0 H ALA 1 22 6.826 16.768 -13.405 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.439 18.424 -13.264 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.141 19.084 -15.540 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.468 19.250 -14.365 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.438 17.866 -15.485 1.00 0.00 H new ATOM 289 N ASN 1 23 4.512 15.558 -14.796 1.00 0.00 N ATOM 290 CA ASN 1 23 3.693 14.551 -15.457 1.00 0.00 C ATOM 291 C ASN 1 23 3.211 13.504 -14.457 1.00 0.00 C ATOM 292 O ASN 1 23 2.873 12.381 -14.832 1.00 0.00 O ATOM 293 CB ASN 1 23 4.482 13.876 -16.581 1.00 0.00 C ATOM 294 CG ASN 1 23 3.583 13.328 -17.671 1.00 0.00 C ATOM 295 OD1 ASN 1 23 4.027 13.443 -18.918 1.00 0.00 O flip ATOM 296 ND2 ASN 1 23 2.502 12.807 -17.397 1.00 0.00 N flip ATOM 0 H ASN 1 23 5.439 15.232 -14.521 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.823 15.049 -15.885 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.178 14.594 -17.015 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 5.080 13.065 -16.165 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 2.200 12.740 -16.425 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 1.908 12.443 -18.142 1.00 0.00 H new ATOM 303 N CYS 1 24 3.190 13.880 -13.182 1.00 0.00 N ATOM 304 CA CYS 1 24 2.759 12.980 -12.125 1.00 0.00 C ATOM 305 C CYS 1 24 1.280 12.651 -12.258 1.00 0.00 C ATOM 306 O CYS 1 24 0.429 13.297 -11.647 1.00 0.00 O ATOM 307 CB CYS 1 24 3.043 13.597 -10.756 1.00 0.00 C ATOM 308 SG CYS 1 24 2.667 12.499 -9.348 1.00 0.00 S ATOM 0 H CYS 1 24 3.468 14.806 -12.858 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.323 12.052 -12.218 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.094 13.882 -10.709 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.460 14.512 -10.654 1.00 0.00 H new ATOM 313 N GLN 1 25 0.986 11.638 -13.061 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.389 11.208 -13.283 1.00 0.00 C ATOM 315 C GLN 1 25 -0.850 10.248 -12.187 1.00 0.00 C ATOM 316 O GLN 1 25 -1.438 9.203 -12.468 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.519 10.538 -14.653 1.00 0.00 C ATOM 318 CG GLN 1 25 0.314 9.274 -14.793 1.00 0.00 C ATOM 319 CD GLN 1 25 -0.288 8.285 -15.771 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -0.741 8.660 -16.853 1.00 0.00 O ATOM 321 NE2 GLN 1 25 -0.296 7.011 -15.395 1.00 0.00 N ATOM 0 H GLN 1 25 1.683 11.096 -13.572 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.027 12.091 -13.254 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.566 10.295 -14.831 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.221 11.247 -15.425 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.318 9.540 -15.123 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.414 8.799 -13.817 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 0.090 6.744 -14.489 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 -0.688 6.300 -16.012 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.584 10.612 -10.936 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.975 9.792 -9.797 1.00 0.00 C ATOM 332 C ASP 1 26 -1.486 10.673 -8.663 1.00 0.00 C ATOM 333 O ASP 1 26 -0.705 11.203 -7.873 1.00 0.00 O ATOM 334 CB ASP 1 26 0.207 8.950 -9.315 1.00 0.00 C ATOM 335 CG ASP 1 26 0.820 8.123 -10.428 1.00 0.00 C ATOM 336 OD1 ASP 1 26 0.058 7.606 -11.272 1.00 0.00 O ATOM 337 OD2 ASP 1 26 2.062 7.991 -10.455 1.00 0.00 O ATOM 0 H ASP 1 26 -0.097 11.473 -10.686 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.776 9.123 -10.112 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.968 9.606 -8.892 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.124 8.288 -8.515 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.801 10.832 -8.596 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.421 11.657 -7.567 1.00 0.00 C ATOM 344 C ARG 1 27 -3.175 11.087 -6.172 1.00 0.00 C ATOM 345 O ARG 1 27 -3.306 11.795 -5.173 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.921 11.777 -7.828 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.614 12.801 -6.943 1.00 0.00 C ATOM 348 CD ARG 1 27 -7.027 12.366 -6.588 1.00 0.00 C ATOM 349 NE ARG 1 27 -7.991 12.741 -7.620 1.00 0.00 N ATOM 350 CZ ARG 1 27 -9.260 12.340 -7.630 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -9.722 11.554 -6.666 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -10.070 12.728 -8.605 1.00 0.00 N ATOM 0 H ARG 1 27 -3.460 10.400 -9.243 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.966 12.647 -7.609 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.079 12.046 -8.872 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.387 10.803 -7.676 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.036 12.945 -6.030 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.646 13.763 -7.454 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -7.049 11.285 -6.447 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.318 12.817 -5.639 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.673 13.346 -8.377 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -9.104 11.254 -5.912 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -10.695 11.250 -6.679 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -9.721 13.334 -9.348 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -11.043 12.421 -8.613 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.817 9.808 -6.106 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.556 9.156 -4.827 1.00 0.00 C ATOM 368 C CYS 1 28 -1.055 8.971 -4.589 1.00 0.00 C ATOM 369 O CYS 1 28 -0.645 8.475 -3.541 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.272 7.804 -4.766 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.078 7.932 -4.542 1.00 0.00 S ATOM 0 H CYS 1 28 -2.701 9.204 -6.920 1.00 0.00 H new ATOM 0 HA CYS 1 28 -2.943 9.801 -4.038 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.068 7.254 -5.685 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.855 7.220 -3.946 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.239 9.377 -5.563 1.00 0.00 N ATOM 377 CA CYS 1 29 1.212 9.257 -5.447 1.00 0.00 C ATOM 378 C CYS 1 29 1.904 10.513 -5.975 1.00 0.00 C ATOM 379 O CYS 1 29 1.618 10.970 -7.081 1.00 0.00 O ATOM 380 CB CYS 1 29 1.710 8.034 -6.220 1.00 0.00 C ATOM 381 SG CYS 1 29 1.022 6.446 -5.647 1.00 0.00 S ATOM 0 H CYS 1 29 -0.559 9.791 -6.439 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.456 9.138 -4.391 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.465 8.162 -7.274 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.797 7.992 -6.148 1.00 0.00 H new ATOM 386 N ASN 1 30 2.812 11.070 -5.178 1.00 0.00 N ATOM 387 CA ASN 1 30 3.536 12.276 -5.572 1.00 0.00 C ATOM 388 C ASN 1 30 5.019 11.989 -5.801 1.00 0.00 C ATOM 389 O ASN 1 30 5.679 11.355 -4.971 1.00 0.00 O ATOM 390 CB ASN 1 30 3.370 13.364 -4.509 1.00 0.00 C ATOM 391 CG ASN 1 30 4.069 14.656 -4.887 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.919 15.151 -3.995 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 3.847 15.202 -5.967 1.00 0.00 N flip ATOM 0 H ASN 1 30 3.064 10.707 -4.258 1.00 0.00 H new ATOM 0 HA ASN 1 30 3.112 12.626 -6.513 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.309 13.560 -4.357 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.767 13.004 -3.560 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 3.185 14.786 -6.622 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.325 16.071 -6.207 1.00 0.00 H new ATOM 400 N ALA 1 31 5.532 12.468 -6.936 1.00 0.00 N ATOM 401 CA ALA 1 31 6.935 12.283 -7.297 1.00 0.00 C ATOM 402 C ALA 1 31 7.842 13.172 -6.456 1.00 0.00 C ATOM 403 O ALA 1 31 8.905 12.747 -6.003 1.00 0.00 O ATOM 404 CB ALA 1 31 7.139 12.593 -8.773 1.00 0.00 C ATOM 0 H ALA 1 31 4.990 12.991 -7.624 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.198 11.243 -7.103 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.188 12.452 -9.033 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.523 11.924 -9.374 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.852 13.626 -8.971 1.00 0.00 H new ATOM 410 N ALA 1 32 7.414 14.413 -6.263 1.00 0.00 N ATOM 411 CA ALA 1 32 8.178 15.384 -5.489 1.00 0.00 C ATOM 412 C ALA 1 32 8.468 14.888 -4.075 1.00 0.00 C ATOM 413 O ALA 1 32 9.313 15.449 -3.377 1.00 0.00 O ATOM 414 CB ALA 1 32 7.432 16.709 -5.436 1.00 0.00 C ATOM 0 H ALA 1 32 6.535 14.773 -6.635 1.00 0.00 H new ATOM 0 HA ALA 1 32 9.136 15.524 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.010 17.429 -4.856 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.291 17.088 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.460 16.561 -4.966 1.00 0.00 H new ATOM 420 N THR 1 33 7.764 13.845 -3.648 1.00 0.00 N ATOM 421 CA THR 1 33 7.953 13.298 -2.313 1.00 0.00 C ATOM 422 C THR 1 33 8.320 11.823 -2.369 1.00 0.00 C ATOM 423 O THR 1 33 8.833 11.266 -1.399 1.00 0.00 O ATOM 424 CB THR 1 33 6.672 13.465 -1.492 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.914 13.189 -0.124 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.544 12.560 -1.953 1.00 0.00 C ATOM 0 H THR 1 33 7.059 13.364 -4.207 1.00 0.00 H new ATOM 0 HA THR 1 33 8.770 13.844 -1.842 1.00 0.00 H new ATOM 0 HB THR 1 33 6.367 14.501 -1.637 1.00 0.00 H new ATOM 0 HG1 THR 1 33 6.084 13.303 0.384 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.665 12.728 -1.330 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.300 12.783 -2.992 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.855 11.519 -1.869 1.00 0.00 H new ATOM 434 N CYS 1 34 8.021 11.182 -3.493 1.00 0.00 N ATOM 435 CA CYS 1 34 8.286 9.764 -3.640 1.00 0.00 C ATOM 436 C CYS 1 34 7.467 9.008 -2.604 1.00 0.00 C ATOM 437 O CYS 1 34 7.929 8.035 -2.016 1.00 0.00 O ATOM 438 CB CYS 1 34 9.778 9.459 -3.458 1.00 0.00 C ATOM 439 SG CYS 1 34 10.741 9.437 -5.006 1.00 0.00 S ATOM 0 H CYS 1 34 7.597 11.623 -4.309 1.00 0.00 H new ATOM 0 HA CYS 1 34 8.005 9.449 -4.645 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 10.209 10.203 -2.788 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.881 8.491 -2.968 1.00 0.00 H new ATOM 444 N LYS 1 35 6.247 9.486 -2.377 1.00 0.00 N ATOM 445 CA LYS 1 35 5.352 8.876 -1.399 1.00 0.00 C ATOM 446 C LYS 1 35 3.901 9.247 -1.682 1.00 0.00 C ATOM 447 O LYS 1 35 3.617 10.062 -2.560 1.00 0.00 O ATOM 448 CB LYS 1 35 5.725 9.320 0.019 1.00 0.00 C ATOM 449 CG LYS 1 35 7.179 9.066 0.379 1.00 0.00 C ATOM 450 CD LYS 1 35 7.440 9.318 1.856 1.00 0.00 C ATOM 451 CE LYS 1 35 8.292 8.217 2.467 1.00 0.00 C ATOM 452 NZ LYS 1 35 9.731 8.370 2.119 1.00 0.00 N ATOM 0 H LYS 1 35 5.855 10.295 -2.858 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.460 7.794 -1.478 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.515 10.385 0.123 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 5.087 8.798 0.733 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.442 8.037 0.132 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.821 9.711 -0.220 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 7.941 10.278 1.979 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 6.491 9.383 2.388 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 8.178 8.229 3.551 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 7.936 7.247 2.119 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 10.277 7.600 2.555 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 9.844 8.333 1.086 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 10.078 9.284 2.473 1.00 0.00 H new ATOM 466 N LEU 1 36 2.986 8.640 -0.933 1.00 0.00 N ATOM 467 CA LEU 1 36 1.561 8.901 -1.102 1.00 0.00 C ATOM 468 C LEU 1 36 1.249 10.383 -0.917 1.00 0.00 C ATOM 469 O LEU 1 36 1.953 11.091 -0.197 1.00 0.00 O ATOM 470 CB LEU 1 36 0.751 8.070 -0.106 1.00 0.00 C ATOM 471 CG LEU 1 36 0.824 6.555 -0.313 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.966 5.838 1.021 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.406 6.058 -1.058 1.00 0.00 C ATOM 0 H LEU 1 36 3.206 7.963 -0.202 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.284 8.617 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.097 8.300 0.902 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.293 8.379 -0.163 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.704 6.334 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 1.016 4.762 0.852 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.878 6.170 1.517 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 0.106 6.067 1.650 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.336 4.979 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.300 6.293 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.463 6.545 -2.031 1.00 0.00 H new ATOM 485 N THR 1 37 0.188 10.843 -1.572 1.00 0.00 N ATOM 486 CA THR 1 37 -0.222 12.241 -1.481 1.00 0.00 C ATOM 487 C THR 1 37 -1.370 12.406 -0.488 1.00 0.00 C ATOM 488 O THR 1 37 -2.004 11.428 -0.093 1.00 0.00 O ATOM 489 CB THR 1 37 -0.645 12.763 -2.857 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.973 12.371 -3.155 1.00 0.00 O ATOM 491 CG2 THR 1 37 0.240 12.277 -3.984 1.00 0.00 C ATOM 0 H THR 1 37 -0.404 10.268 -2.172 1.00 0.00 H new ATOM 0 HA THR 1 37 0.630 12.821 -1.127 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.557 13.847 -2.792 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.067 12.244 -4.122 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.118 12.685 -4.929 1.00 0.00 H new ATOM 0 HG22 THR 1 37 1.264 12.607 -3.810 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.212 11.188 -4.025 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.655 13.652 -0.070 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.735 13.937 0.880 1.00 0.00 C ATOM 501 C PRO 1 38 -4.067 13.347 0.432 1.00 0.00 C ATOM 502 O PRO 1 38 -4.583 13.689 -0.632 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.805 15.466 0.895 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.445 15.912 0.481 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.950 14.877 -0.491 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.543 13.498 1.859 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.568 15.834 0.209 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -3.060 15.841 1.886 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.482 16.898 0.017 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.780 15.989 1.342 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.189 15.145 -1.520 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.132 14.758 -0.435 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.619 12.456 1.249 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.886 11.829 0.918 1.00 0.00 C ATOM 515 C GLY 1 39 -5.731 10.363 0.566 1.00 0.00 C ATOM 516 O GLY 1 39 -6.655 9.571 0.751 1.00 0.00 O ATOM 0 H GLY 1 39 -4.212 12.157 2.135 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.568 11.927 1.762 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.340 12.355 0.079 1.00 0.00 H new ATOM 520 N SER 1 40 -4.557 10.001 0.058 1.00 0.00 N ATOM 521 CA SER 1 40 -4.278 8.621 -0.321 1.00 0.00 C ATOM 522 C SER 1 40 -3.280 7.991 0.643 1.00 0.00 C ATOM 523 O SER 1 40 -2.206 8.540 0.886 1.00 0.00 O ATOM 524 CB SER 1 40 -3.734 8.563 -1.748 1.00 0.00 C ATOM 525 OG SER 1 40 -2.356 8.892 -1.782 1.00 0.00 O ATOM 0 H SER 1 40 -3.783 10.646 -0.101 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.210 8.058 -0.274 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.883 7.564 -2.157 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -4.292 9.253 -2.381 1.00 0.00 H new ATOM 0 HG SER 1 40 -1.882 8.256 -2.357 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.644 6.839 1.194 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.779 6.138 2.136 1.00 0.00 C ATOM 533 C GLN 1 41 -2.289 4.813 1.559 1.00 0.00 C ATOM 534 O GLN 1 41 -1.229 4.316 1.938 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.523 5.888 3.448 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.485 7.069 4.404 1.00 0.00 C ATOM 537 CD GLN 1 41 -3.407 6.642 5.857 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.464 6.988 6.568 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -4.401 5.884 6.304 1.00 0.00 N ATOM 0 H GLN 1 41 -4.530 6.371 1.005 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.911 6.769 2.326 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.562 5.644 3.226 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.090 5.018 3.941 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -2.625 7.696 4.167 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.375 7.680 4.256 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -5.163 5.621 5.679 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -4.403 5.564 7.273 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.069 4.239 0.648 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.712 2.965 0.034 1.00 0.00 C ATOM 550 C CYS 1 42 -2.956 2.975 -1.470 1.00 0.00 C ATOM 551 O CYS 1 42 -4.087 2.812 -1.927 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.503 1.834 0.676 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.510 0.339 0.977 1.00 0.00 S ATOM 0 H CYS 1 42 -3.950 4.635 0.320 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.646 2.807 0.200 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.918 2.182 1.622 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.345 1.579 0.033 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.884 3.148 -2.235 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.979 3.159 -3.690 1.00 0.00 C ATOM 560 C ASN 1 43 -1.418 1.866 -4.281 1.00 0.00 C ATOM 561 O ASN 1 43 -1.329 1.718 -5.500 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.228 4.358 -4.267 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.443 4.505 -5.760 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.422 5.106 -6.202 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.526 3.954 -6.547 1.00 0.00 N ATOM 0 H ASN 1 43 -0.940 3.282 -1.872 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.033 3.238 -3.956 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.557 5.267 -3.763 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.163 4.249 -4.064 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -0.618 4.020 -7.561 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.270 3.465 -6.138 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.042 0.933 -3.410 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.491 -0.346 -3.844 1.00 0.00 C ATOM 574 C TYR 1 44 -0.187 -1.222 -2.629 1.00 0.00 C ATOM 575 O TYR 1 44 0.608 -0.850 -1.766 1.00 0.00 O ATOM 576 CB TYR 1 44 0.763 -0.123 -4.706 1.00 0.00 C ATOM 577 CG TYR 1 44 2.052 -0.607 -4.080 1.00 0.00 C ATOM 578 CD1 TYR 1 44 2.294 -1.963 -3.911 1.00 0.00 C ATOM 579 CD2 TYR 1 44 3.020 0.291 -3.654 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.463 -2.412 -3.336 1.00 0.00 C ATOM 581 CE2 TYR 1 44 4.195 -0.148 -3.078 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.413 -1.502 -2.920 1.00 0.00 C ATOM 583 OH TYR 1 44 5.582 -1.945 -2.345 1.00 0.00 O ATOM 0 H TYR 1 44 -1.109 1.040 -2.398 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.227 -0.865 -4.459 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.626 -0.630 -5.661 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.856 0.942 -4.920 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.553 -2.679 -4.236 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.851 1.351 -3.775 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.635 -3.471 -3.212 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.939 0.564 -2.753 1.00 0.00 H new ATOM 0 HH TYR 1 44 6.143 -1.176 -2.110 1.00 0.00 H new ATOM 593 N GLY 1 45 -0.846 -2.373 -2.559 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.658 -3.274 -1.437 1.00 0.00 C ATOM 595 C GLY 1 45 -1.941 -3.998 -1.064 1.00 0.00 C ATOM 596 O GLY 1 45 -3.024 -3.633 -1.522 1.00 0.00 O ATOM 0 H GLY 1 45 -1.509 -2.699 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 0.111 -4.005 -1.685 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.297 -2.710 -0.577 1.00 0.00 H new ATOM 600 N GLU 1 46 -1.818 -5.032 -0.239 1.00 0.00 N ATOM 601 CA GLU 1 46 -2.968 -5.825 0.186 1.00 0.00 C ATOM 602 C GLU 1 46 -4.019 -4.986 0.909 1.00 0.00 C ATOM 603 O GLU 1 46 -5.216 -5.122 0.657 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.504 -6.951 1.109 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.607 -8.336 0.489 1.00 0.00 C ATOM 606 CD GLU 1 46 -3.977 -8.612 -0.101 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -4.971 -8.069 0.426 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -4.055 -9.371 -1.090 1.00 0.00 O ATOM 0 H GLU 1 46 -0.928 -5.343 0.151 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.429 -6.232 -0.714 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.469 -6.768 1.397 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.098 -6.927 2.023 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -1.853 -8.438 -0.291 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -2.384 -9.087 1.247 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.567 -4.150 1.832 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.470 -3.324 2.625 1.00 0.00 C ATOM 617 C CYS 1 47 -5.117 -2.200 1.814 1.00 0.00 C ATOM 618 O CYS 1 47 -6.081 -1.586 2.269 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.714 -2.737 3.815 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.764 -3.777 5.307 1.00 0.00 S ATOM 0 H CYS 1 47 -2.579 -4.024 2.052 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.278 -3.970 2.969 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.674 -2.578 3.530 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.132 -1.759 4.052 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.586 -1.911 0.633 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.128 -0.835 -0.189 1.00 0.00 C ATOM 627 C CYS 1 48 -6.516 -1.150 -0.731 1.00 0.00 C ATOM 628 O CYS 1 48 -6.827 -2.288 -1.084 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.176 -0.515 -1.338 1.00 0.00 C ATOM 630 SG CYS 1 48 -2.434 -0.529 -0.843 1.00 0.00 S ATOM 0 H CYS 1 48 -3.789 -2.400 0.225 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.228 0.037 0.458 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -4.326 -1.240 -2.138 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.424 0.465 -1.745 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.338 -0.109 -0.790 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.703 -0.208 -1.284 1.00 0.00 C ATOM 637 C ASP 1 49 -9.288 1.190 -1.451 1.00 0.00 C ATOM 638 O ASP 1 49 -9.526 1.893 -0.469 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.564 -1.029 -0.322 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.647 -1.811 -1.038 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.480 -2.088 -2.245 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.662 -2.148 -0.393 1.00 0.00 O ATOM 0 H ASP 1 49 -7.074 0.831 -0.495 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.694 -0.712 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -8.928 -1.719 0.232 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.023 -0.363 0.408 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.496 1.600 -2.698 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.031 2.927 -2.983 1.00 0.00 C ATOM 649 C GLN 1 50 -9.035 4.004 -2.563 1.00 0.00 C ATOM 650 O GLN 1 50 -9.421 5.103 -2.166 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.365 3.135 -2.261 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.330 1.971 -2.417 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.779 2.394 -2.281 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -14.571 2.245 -3.212 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.135 2.925 -1.118 1.00 0.00 N ATOM 0 H GLN 1 50 -9.303 1.035 -3.525 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.200 3.004 -4.057 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.173 3.297 -1.200 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.837 4.041 -2.642 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.180 1.508 -3.392 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.104 1.213 -1.666 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.446 3.030 -0.373 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -15.097 3.228 -0.969 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.748 3.673 -2.653 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.680 4.598 -2.285 1.00 0.00 C ATOM 666 C CYS 1 51 -6.681 4.876 -0.783 1.00 0.00 C ATOM 667 O CYS 1 51 -6.215 5.924 -0.336 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.805 5.907 -3.069 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.710 6.002 -4.525 1.00 0.00 S ATOM 0 H CYS 1 51 -7.419 2.765 -2.980 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.731 4.127 -2.541 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.838 6.027 -3.395 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.582 6.741 -2.403 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.199 3.925 -0.008 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.251 4.062 1.445 1.00 0.00 C ATOM 676 C ARG 1 52 -6.961 2.723 2.117 1.00 0.00 C ATOM 677 O ARG 1 52 -7.335 1.670 1.600 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.622 4.580 1.883 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.963 5.951 1.319 1.00 0.00 C ATOM 680 CD ARG 1 52 -9.312 6.939 2.420 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.344 6.904 3.514 1.00 0.00 N ATOM 682 CZ ARG 1 52 -8.560 7.441 4.713 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -9.707 8.055 4.976 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -7.627 7.364 5.651 1.00 0.00 N ATOM 0 H ARG 1 52 -7.588 3.052 -0.363 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.490 4.780 1.750 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.387 3.868 1.572 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.653 4.626 2.972 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -8.117 6.329 0.745 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.802 5.863 0.629 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.353 7.946 2.004 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -10.306 6.714 2.808 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.450 6.441 3.349 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -10.429 8.117 4.258 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -9.867 8.465 5.896 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -6.744 6.893 5.454 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -7.792 7.775 6.570 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.290 2.761 3.267 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.959 1.535 3.985 1.00 0.00 C ATOM 700 C PHE 1 53 -7.214 0.788 4.391 1.00 0.00 C ATOM 701 O PHE 1 53 -8.207 1.388 4.801 1.00 0.00 O ATOM 702 CB PHE 1 53 -5.107 1.823 5.225 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.699 2.223 4.900 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.051 1.675 3.808 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -3.022 3.142 5.684 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.761 2.033 3.499 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.724 3.506 5.380 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.092 2.951 4.285 1.00 0.00 C ATOM 0 H PHE 1 53 -5.969 3.618 3.716 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.379 0.912 3.304 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.578 2.617 5.804 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.088 0.936 5.858 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.566 0.955 3.189 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.513 3.578 6.541 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.270 1.597 2.642 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -1.205 4.224 5.998 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.078 3.234 4.044 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.158 -0.528 4.276 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.289 -1.368 4.636 1.00 0.00 C ATOM 720 C LYS 1 54 -8.537 -1.302 6.136 1.00 0.00 C ATOM 721 O LYS 1 54 -7.842 -1.950 6.916 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.042 -2.812 4.199 1.00 0.00 C ATOM 723 CG LYS 1 54 -8.829 -3.210 2.962 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.042 -4.164 2.080 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.696 -4.325 0.718 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.572 -5.716 0.202 1.00 0.00 N ATOM 0 H LYS 1 54 -6.343 -1.038 3.937 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.175 -0.999 4.120 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -6.978 -2.948 4.003 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.304 -3.482 5.018 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -9.766 -3.680 3.262 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.088 -2.317 2.393 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.025 -3.792 1.956 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -7.968 -5.136 2.567 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.750 -4.057 0.788 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.237 -3.634 0.011 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.031 -5.783 -0.729 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -7.566 -5.964 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.032 -6.374 0.863 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.529 -0.503 6.532 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.879 -0.330 7.944 1.00 0.00 C ATOM 742 C LYS 1 55 -9.545 -1.574 8.762 1.00 0.00 C ATOM 743 O LYS 1 55 -9.940 -2.688 8.407 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.366 -0.002 8.083 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.786 0.327 9.506 1.00 0.00 C ATOM 746 CD LYS 1 55 -11.263 1.686 9.942 1.00 0.00 C ATOM 747 CE LYS 1 55 -12.304 2.775 9.738 1.00 0.00 C ATOM 748 NZ LYS 1 55 -13.205 2.909 10.916 1.00 0.00 N ATOM 0 H LYS 1 55 -10.108 0.038 5.890 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.286 0.498 8.332 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.605 0.844 7.438 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.951 -0.850 7.727 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -12.874 0.315 9.577 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -11.413 -0.442 10.183 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -10.977 1.647 10.993 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -10.364 1.930 9.376 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -11.804 3.726 9.554 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -12.897 2.549 8.851 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -13.900 3.662 10.737 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -13.702 2.010 11.077 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -12.643 3.149 11.757 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.804 -1.379 9.852 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.411 -2.487 10.713 1.00 0.00 C ATOM 764 C ALA 1 56 -9.567 -3.453 10.906 1.00 0.00 C ATOM 765 O ALA 1 56 -10.676 -3.049 11.257 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.924 -1.982 12.058 1.00 0.00 C ATOM 0 H ALA 1 56 -8.466 -0.466 10.157 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.592 -3.015 10.225 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.637 -2.828 12.682 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -7.063 -1.330 11.912 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.722 -1.424 12.548 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.310 -4.723 10.652 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.352 -5.721 10.780 1.00 0.00 C ATOM 774 C GLY 1 57 -10.667 -6.372 9.450 1.00 0.00 C ATOM 775 O GLY 1 57 -11.377 -7.375 9.392 1.00 0.00 O ATOM 0 H GLY 1 57 -8.401 -5.083 10.360 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -10.041 -6.483 11.494 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.253 -5.257 11.181 1.00 0.00 H new ATOM 779 N THR 1 58 -10.119 -5.806 8.376 1.00 0.00 N ATOM 780 CA THR 1 58 -10.320 -6.344 7.040 1.00 0.00 C ATOM 781 C THR 1 58 -9.385 -7.528 6.810 1.00 0.00 C ATOM 782 O THR 1 58 -8.168 -7.358 6.729 1.00 0.00 O ATOM 783 CB THR 1 58 -10.058 -5.263 5.993 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.966 -4.186 6.143 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.172 -5.767 4.573 1.00 0.00 C ATOM 0 H THR 1 58 -9.532 -4.973 8.410 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.352 -6.682 6.948 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.032 -4.938 6.165 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.688 -3.626 6.898 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -9.974 -4.949 3.880 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.446 -6.564 4.410 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.178 -6.152 4.403 1.00 0.00 H new ATOM 793 N VAL 1 59 -9.952 -8.725 6.715 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.152 -9.925 6.508 1.00 0.00 C ATOM 795 C VAL 1 59 -8.565 -9.970 5.100 1.00 0.00 C ATOM 796 O VAL 1 59 -9.298 -9.984 4.111 1.00 0.00 O ATOM 797 CB VAL 1 59 -9.975 -11.209 6.745 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.176 -11.253 5.813 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.107 -12.447 6.566 1.00 0.00 C ATOM 0 H VAL 1 59 -10.957 -8.890 6.778 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.342 -9.881 7.236 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.339 -11.197 7.772 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -11.744 -12.165 5.995 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -11.812 -10.387 5.997 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -10.834 -11.238 4.778 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.707 -13.340 6.738 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.707 -12.468 5.552 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.284 -12.420 7.280 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.239 -10.006 5.019 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.556 -10.066 3.727 1.00 0.00 C ATOM 811 C CYS 1 60 -5.991 -11.460 3.471 1.00 0.00 C ATOM 812 O CYS 1 60 -5.794 -11.859 2.323 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.422 -9.044 3.663 1.00 0.00 C ATOM 814 SG CYS 1 60 -5.889 -7.372 4.204 1.00 0.00 S ATOM 0 H CYS 1 60 -6.617 -9.995 5.827 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.293 -9.833 2.958 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.596 -9.396 4.282 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.053 -8.992 2.639 1.00 0.00 H new ATOM 819 N ARG 1 61 -5.723 -12.191 4.548 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.168 -13.538 4.440 1.00 0.00 C ATOM 821 C ARG 1 61 -5.547 -14.401 5.640 1.00 0.00 C ATOM 822 O ARG 1 61 -6.117 -13.917 6.617 1.00 0.00 O ATOM 823 CB ARG 1 61 -3.644 -13.475 4.313 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.159 -12.425 3.330 1.00 0.00 C ATOM 825 CD ARG 1 61 -1.657 -12.517 3.104 1.00 0.00 C ATOM 826 NE ARG 1 61 -0.897 -12.201 4.312 1.00 0.00 N ATOM 827 CZ ARG 1 61 0.335 -11.696 4.305 1.00 0.00 C ATOM 828 NH1 ARG 1 61 0.958 -11.455 3.158 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.949 -11.437 5.451 1.00 0.00 N ATOM 0 H ARG 1 61 -5.880 -11.875 5.505 1.00 0.00 H new ATOM 0 HA ARG 1 61 -5.591 -13.996 3.546 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.214 -13.269 5.293 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.273 -14.451 4.001 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -3.678 -12.549 2.380 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.411 -11.433 3.704 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -1.403 -13.523 2.769 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.369 -11.833 2.306 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.337 -12.378 5.215 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 0.493 -11.657 2.273 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 1.902 -11.068 3.162 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.478 -11.625 6.336 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 1.893 -11.050 5.448 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.218 -15.685 5.551 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.502 -16.643 6.614 1.00 0.00 C ATOM 845 C ILE 1 62 -4.565 -17.837 6.499 1.00 0.00 C ATOM 846 O ILE 1 62 -4.477 -18.468 5.445 1.00 0.00 O ATOM 847 CB ILE 1 62 -6.957 -17.164 6.580 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -7.953 -16.036 6.306 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.298 -17.852 7.893 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.965 -15.573 4.868 1.00 0.00 C ATOM 0 H ILE 1 62 -4.748 -16.091 4.742 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.353 -16.114 7.555 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.033 -17.883 5.764 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -8.953 -16.372 6.579 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.715 -15.189 6.949 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.325 -18.215 7.858 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -6.622 -18.692 8.050 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.192 -17.143 8.714 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -8.695 -14.772 4.750 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.976 -15.205 4.596 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.233 -16.407 4.219 1.00 0.00 H new ATOM 862 N ALA 1 63 -3.864 -18.141 7.582 1.00 0.00 N ATOM 863 CA ALA 1 63 -2.927 -19.262 7.600 1.00 0.00 C ATOM 864 C ALA 1 63 -3.539 -20.512 6.977 1.00 0.00 C ATOM 865 O ALA 1 63 -3.136 -20.937 5.895 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.462 -19.544 9.021 1.00 0.00 C ATOM 0 H ALA 1 63 -3.924 -17.628 8.462 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.062 -18.983 6.998 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -1.765 -20.382 9.016 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -1.966 -18.661 9.423 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.322 -19.792 9.643 1.00 0.00 H new ATOM 872 N ARG 1 64 -4.517 -21.093 7.663 1.00 0.00 N ATOM 873 CA ARG 1 64 -5.184 -22.296 7.165 1.00 0.00 C ATOM 874 C ARG 1 64 -6.252 -22.786 8.138 1.00 0.00 C ATOM 875 O ARG 1 64 -6.123 -23.858 8.730 1.00 0.00 O ATOM 876 CB ARG 1 64 -4.160 -23.408 6.911 1.00 0.00 C ATOM 877 CG ARG 1 64 -4.460 -24.239 5.674 1.00 0.00 C ATOM 878 CD ARG 1 64 -4.248 -23.438 4.400 1.00 0.00 C ATOM 879 NE ARG 1 64 -2.836 -23.354 4.035 1.00 0.00 N ATOM 880 CZ ARG 1 64 -2.371 -22.604 3.038 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -3.202 -21.873 2.305 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -1.072 -22.585 2.773 1.00 0.00 N ATOM 0 H ARG 1 64 -4.866 -20.755 8.560 1.00 0.00 H new ATOM 0 HA ARG 1 64 -5.674 -22.037 6.226 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -3.170 -22.963 6.808 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -4.126 -24.065 7.780 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -3.818 -25.120 5.662 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -5.490 -24.595 5.714 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -4.806 -23.899 3.585 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -4.649 -22.433 4.533 1.00 0.00 H new ATOM 0 HE ARG 1 64 -2.167 -23.902 4.576 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -4.202 -21.884 2.504 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -2.840 -21.300 1.542 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -0.429 -23.145 3.333 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -0.716 -22.010 2.009 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.312 -22.001 8.294 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.385 -22.382 9.191 1.00 0.00 C ATOM 898 C GLY 1 65 -9.071 -21.187 9.818 1.00 0.00 C ATOM 899 O GLY 1 65 -9.752 -20.423 9.134 1.00 0.00 O ATOM 0 H GLY 1 65 -7.447 -21.110 7.816 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.120 -22.972 8.643 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -7.986 -23.022 9.978 1.00 0.00 H new ATOM 903 N ASP 1 66 -8.891 -21.027 11.123 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.497 -19.916 11.846 1.00 0.00 C ATOM 905 C ASP 1 66 -8.942 -19.821 13.263 1.00 0.00 C ATOM 906 O ASP 1 66 -9.554 -20.301 14.217 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.017 -20.073 11.889 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.443 -21.466 12.309 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.483 -22.362 11.439 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -11.738 -21.662 13.507 1.00 0.00 O ATOM 0 H ASP 1 66 -8.331 -21.652 11.702 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.251 -18.995 11.317 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.435 -19.344 12.583 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.430 -19.851 10.905 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.777 -19.198 13.387 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.123 -19.032 14.681 1.00 0.00 C ATOM 917 C TRP 1 67 -6.934 -17.554 14.990 1.00 0.00 C ATOM 918 O TRP 1 67 -7.578 -17.001 15.881 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.764 -19.744 14.681 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.365 -20.268 13.337 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -4.949 -19.540 12.260 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.356 -21.636 12.925 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -4.685 -20.373 11.204 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -4.924 -21.665 11.588 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.669 -22.837 13.560 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -4.800 -22.851 10.873 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.545 -24.017 12.851 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.113 -24.017 11.518 1.00 0.00 C ATOM 0 H TRP 1 67 -7.262 -18.797 12.603 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.755 -19.475 15.450 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.000 -19.051 15.034 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.796 -20.571 15.390 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.843 -18.465 12.242 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.363 -20.078 10.282 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.002 -22.845 14.587 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -4.468 -22.852 9.845 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -5.785 -24.954 13.332 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.025 -24.955 10.990 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.051 -16.925 14.230 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.765 -15.505 14.389 1.00 0.00 C ATOM 941 C ASN 1 68 -6.267 -14.732 13.175 1.00 0.00 C ATOM 942 O ASN 1 68 -6.746 -13.604 13.296 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.262 -15.272 14.569 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.602 -16.341 15.419 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.340 -17.497 14.819 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -3.331 -16.131 16.602 1.00 0.00 N flip ATOM 0 H ASN 1 68 -5.515 -17.379 13.490 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.281 -15.148 15.281 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.783 -15.245 13.590 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.102 -14.297 15.030 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.550 -15.228 17.023 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -2.888 -16.860 17.161 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.160 -15.356 12.005 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.606 -14.743 10.759 1.00 0.00 C ATOM 955 C ASP 1 69 -5.821 -13.475 10.455 1.00 0.00 C ATOM 956 O ASP 1 69 -5.505 -12.696 11.355 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.097 -14.417 10.834 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.966 -15.568 10.367 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.885 -16.658 10.972 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.729 -15.380 9.396 1.00 0.00 O ATOM 0 H ASP 1 69 -5.766 -16.290 11.895 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.430 -15.458 9.955 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.359 -14.161 11.861 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.305 -13.538 10.224 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.518 -13.266 9.179 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.780 -12.084 8.757 1.00 0.00 C ATOM 967 C ASP 1 70 -5.712 -10.890 8.655 1.00 0.00 C ATOM 968 O ASP 1 70 -6.742 -10.957 7.987 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.097 -12.328 7.413 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.027 -11.303 7.118 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.331 -10.096 7.203 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -1.888 -11.706 6.802 1.00 0.00 O ATOM 0 H ASP 1 70 -5.772 -13.899 8.421 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.015 -11.874 9.504 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.654 -13.324 7.409 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -4.844 -12.308 6.620 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.362 -9.802 9.333 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.204 -8.616 9.322 1.00 0.00 C ATOM 979 C TYR 1 71 -5.417 -7.327 9.173 1.00 0.00 C ATOM 980 O TYR 1 71 -4.336 -7.169 9.738 1.00 0.00 O ATOM 981 CB TYR 1 71 -7.016 -8.559 10.604 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.213 -9.460 10.570 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.331 -9.103 9.844 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.222 -10.666 11.249 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.438 -9.916 9.793 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.322 -11.494 11.207 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.433 -11.115 10.478 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.536 -11.937 10.432 1.00 0.00 O ATOM 0 H TYR 1 71 -4.512 -9.719 9.890 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.854 -8.699 8.451 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.380 -8.837 11.445 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.343 -7.534 10.777 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.336 -8.167 9.306 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.354 -10.962 11.820 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.305 -9.619 9.222 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.316 -12.433 11.740 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.367 -12.741 10.967 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.996 -6.398 8.423 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.386 -5.097 8.203 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.393 -4.287 9.494 1.00 0.00 C ATOM 1001 O CYS 1 72 -6.123 -4.610 10.432 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.138 -4.342 7.108 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.225 -2.924 6.422 1.00 0.00 S ATOM 0 H CYS 1 72 -6.893 -6.525 7.955 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.354 -5.244 7.886 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.373 -5.035 6.300 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.087 -3.989 7.511 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.580 -3.239 9.542 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.500 -2.391 10.726 1.00 0.00 C ATOM 1010 C THR 1 73 -4.827 -0.936 10.391 1.00 0.00 C ATOM 1011 O THR 1 73 -4.616 -0.041 11.210 1.00 0.00 O ATOM 1012 CB THR 1 73 -3.105 -2.485 11.348 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -2.197 -1.628 10.679 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.528 -3.885 11.311 1.00 0.00 C ATOM 0 H THR 1 73 -3.968 -2.956 8.777 1.00 0.00 H new ATOM 0 HA THR 1 73 -5.239 -2.746 11.444 1.00 0.00 H new ATOM 0 HB THR 1 73 -3.232 -2.188 12.389 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -1.312 -1.702 11.093 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.538 -3.883 11.767 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -3.180 -4.562 11.863 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.450 -4.219 10.276 1.00 0.00 H new ATOM 1022 N GLY 1 74 -5.344 -0.705 9.186 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.694 0.641 8.768 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.565 1.632 8.975 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.805 2.827 9.147 1.00 0.00 O ATOM 0 H GLY 1 74 -5.527 -1.429 8.491 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.972 0.629 7.714 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.570 0.973 9.325 1.00 0.00 H new ATOM 1029 N LYS 1 75 -3.331 1.137 8.963 1.00 0.00 N ATOM 1030 CA LYS 1 75 -2.168 1.996 9.157 1.00 0.00 C ATOM 1031 C LYS 1 75 -1.058 1.689 8.151 1.00 0.00 C ATOM 1032 O LYS 1 75 0.029 2.262 8.231 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.631 1.842 10.582 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.643 2.207 11.656 1.00 0.00 C ATOM 1035 CD LYS 1 75 -2.010 3.034 12.763 1.00 0.00 C ATOM 1036 CE LYS 1 75 -3.028 3.416 13.825 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -4.298 3.910 13.225 1.00 0.00 N ATOM 0 H LYS 1 75 -3.111 0.151 8.822 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.491 3.024 8.995 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -1.311 0.811 10.731 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.748 2.470 10.698 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -3.464 2.766 11.208 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -3.070 1.298 12.079 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -1.199 2.469 13.222 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.570 3.936 12.338 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -3.237 2.552 14.455 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -2.607 4.187 14.470 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -4.782 4.534 13.902 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -4.088 4.439 12.355 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -4.912 3.102 12.999 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.324 0.788 7.207 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.323 0.432 6.206 1.00 0.00 C ATOM 1053 C SER 1 76 -0.917 -0.429 5.094 1.00 0.00 C ATOM 1054 O SER 1 76 -2.066 -0.863 5.172 1.00 0.00 O ATOM 1055 CB SER 1 76 0.842 -0.308 6.866 1.00 0.00 C ATOM 1056 OG SER 1 76 1.843 0.598 7.297 1.00 0.00 O ATOM 0 H SER 1 76 -2.213 0.297 7.115 1.00 0.00 H new ATOM 0 HA SER 1 76 0.038 1.358 5.758 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.476 -0.883 7.717 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.271 -1.020 6.161 1.00 0.00 H new ATOM 0 HG SER 1 76 1.421 1.370 7.730 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.111 -0.676 4.064 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.529 -1.493 2.927 1.00 0.00 C ATOM 1064 C SER 1 77 -0.239 -2.968 3.179 1.00 0.00 C ATOM 1065 O SER 1 77 -0.313 -3.789 2.264 1.00 0.00 O ATOM 1066 CB SER 1 77 0.196 -1.038 1.659 1.00 0.00 C ATOM 1067 OG SER 1 77 0.412 0.363 1.670 1.00 0.00 O ATOM 0 H SER 1 77 0.842 -0.319 3.994 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.604 -1.367 2.797 1.00 0.00 H new ATOM 0 HB2 SER 1 77 1.152 -1.556 1.577 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -0.391 -1.312 0.782 1.00 0.00 H new ATOM 0 HG SER 1 77 -0.340 0.813 1.232 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.096 -3.301 4.422 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.404 -4.678 4.781 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.662 -5.259 5.700 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.183 -4.575 6.581 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.773 -4.755 5.458 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.865 -3.864 6.681 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 1.071 -4.066 7.624 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 2.731 -2.964 6.696 1.00 0.00 O ATOM 0 H ASP 1 78 0.160 -2.637 5.194 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.423 -5.267 3.864 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.974 -5.786 5.748 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 2.545 -4.468 4.744 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.976 -6.529 5.485 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.975 -7.221 6.286 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.339 -8.397 7.031 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.075 -9.442 6.439 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.109 -7.716 5.386 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.748 -7.077 5.854 1.00 0.00 S ATOM 0 H CYS 1 79 -0.550 -7.104 4.758 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.382 -6.526 7.021 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.897 -7.427 4.357 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.133 -8.805 5.412 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.072 -8.237 8.340 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.453 -9.289 9.160 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.397 -10.458 9.450 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.560 -10.258 9.802 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.102 -8.559 10.458 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.090 -7.449 10.541 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.336 -7.014 9.124 1.00 0.00 C ATOM 0 HA PRO 1 80 0.400 -9.741 8.653 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.178 -9.223 11.319 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.920 -8.180 10.436 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.014 -7.782 11.014 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.704 -6.625 11.142 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.357 -6.660 8.984 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.673 -6.199 8.833 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.878 -11.678 9.310 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.662 -12.894 9.568 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.236 -12.888 10.977 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.202 -13.593 11.268 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.808 -14.161 9.414 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.455 -13.979 8.635 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.673 -13.599 9.120 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.622 -14.181 7.235 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.588 -13.550 8.098 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.965 -13.905 6.930 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.238 -14.569 6.210 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.468 -14.007 5.640 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.261 -14.671 4.926 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 1.605 -14.391 4.650 1.00 0.00 C ATOM 0 H TRP 1 81 0.084 -11.854 9.019 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.467 -12.901 8.833 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.555 -14.534 10.407 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.409 -14.930 8.929 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.885 -13.371 10.154 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.570 -13.292 8.192 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.276 -14.786 6.416 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.504 -13.791 5.425 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -0.395 -14.971 4.123 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 1.967 -14.480 3.636 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.604 -12.118 11.855 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.009 -12.040 13.256 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.421 -13.222 14.023 1.00 0.00 C ATOM 1136 O ASN 1 82 -1.971 -13.661 15.033 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.535 -12.030 13.392 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.995 -11.444 14.712 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -4.978 -10.553 14.652 1.00 0.00 O flip ATOM 1140 ND2 ASN 1 82 -3.474 -11.787 15.773 1.00 0.00 N flip ATOM 0 H ASN 1 82 -0.802 -11.534 11.620 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.630 -11.107 13.674 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.966 -11.455 12.573 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.912 -13.049 13.299 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -2.721 -12.475 15.772 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.795 -11.383 16.653 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.300 -13.735 13.518 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.376 -14.872 14.128 1.00 0.00 C ATOM 1149 C HIS 1 83 1.554 -14.415 14.983 1.00 0.00 C ATOM 1150 O HIS 1 83 2.587 -14.020 14.402 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.858 -15.831 13.036 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.244 -16.308 12.145 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.570 -16.455 12.379 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -0.045 -16.682 10.833 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -2.141 -16.908 11.216 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -1.201 -17.035 10.299 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 1.434 -14.456 16.225 1.00 0.00 O ATOM 0 H HIS 1 83 0.160 -13.376 12.681 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.332 -15.388 14.777 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.616 -15.332 12.431 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.338 -16.691 13.502 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -2.054 -16.264 13.256 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 0.906 -16.686 10.322 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.189 -17.125 11.075 1.00 0.00 H new