USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 442 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 ASN : amide:sc= -4.88! C(o=-7.3!,f=-11!) USER MOD Set 1.2: A 10 THR OG1 : rot 95:sc= -2.43! USER MOD Single : A 1 ARG N :NH3+ 177:sc= 0 (180deg=-0.00569) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.633 USER MOD Single : A 8 HIS : no HD1:sc= -9.83! C(o=-9.8!,f=-9.9!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.323 K(o=-0.32,f=-3.1!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0288 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -6.3! C(o=-6.3!,f=-10!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.552 K(o=-0.55,f=-4.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.59! USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.437 14.517 -1.247 1.00 0.00 N ATOM 2 CA ARG A 1 3.327 13.524 -0.583 1.00 0.00 C ATOM 3 C ARG A 1 2.677 13.038 0.715 1.00 0.00 C ATOM 4 O ARG A 1 2.814 13.650 1.756 1.00 0.00 O ATOM 5 CB ARG A 1 4.675 14.176 -0.267 1.00 0.00 C ATOM 6 CG ARG A 1 5.714 13.724 -1.296 1.00 0.00 C ATOM 7 CD ARG A 1 6.760 14.824 -1.486 1.00 0.00 C ATOM 8 NE ARG A 1 7.525 15.007 -0.220 1.00 0.00 N ATOM 9 CZ ARG A 1 7.509 16.162 0.389 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.735 17.258 -0.283 1.00 0.00 N ATOM 11 NH2 ARG A 1 7.270 16.220 1.671 1.00 0.00 N ATOM 0 H1 ARG A 1 2.903 14.884 -2.102 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.541 14.059 -1.510 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.245 15.303 -0.593 1.00 0.00 H new ATOM 0 HA ARG A 1 3.482 12.675 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.579 15.262 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.998 13.900 0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 1 6.195 12.805 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 1 5.228 13.503 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 1 7.438 14.560 -2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 1 6.274 15.758 -1.768 1.00 0.00 H new ATOM 0 HE ARG A 1 8.060 14.231 0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 1 7.924 17.212 -1.284 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.722 18.160 0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.096 15.363 2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.257 17.122 2.147 1.00 0.00 H new ATOM 27 N GLU A 2 1.975 11.938 0.665 1.00 0.00 N ATOM 28 CA GLU A 2 1.325 11.412 1.901 1.00 0.00 C ATOM 29 C GLU A 2 1.617 9.923 2.018 1.00 0.00 C ATOM 30 O GLU A 2 0.794 9.135 2.440 1.00 0.00 O ATOM 31 CB GLU A 2 -0.186 11.647 1.837 1.00 0.00 C ATOM 32 CG GLU A 2 -0.534 12.935 2.583 1.00 0.00 C ATOM 33 CD GLU A 2 -1.686 12.669 3.555 1.00 0.00 C ATOM 34 OE1 GLU A 2 -2.458 11.762 3.291 1.00 0.00 O ATOM 35 OE2 GLU A 2 -1.775 13.375 4.545 1.00 0.00 O ATOM 0 H GLU A 2 1.823 11.381 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 2 1.721 11.932 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.510 11.717 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.715 10.803 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.338 13.299 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.815 13.713 1.874 1.00 0.00 H new ATOM 42 N CYS A 3 2.797 9.550 1.641 1.00 0.00 N ATOM 43 CA CYS A 3 3.219 8.118 1.704 1.00 0.00 C ATOM 44 C CYS A 3 4.747 8.081 1.746 1.00 0.00 C ATOM 45 O CYS A 3 5.353 7.306 2.459 1.00 0.00 O ATOM 46 CB CYS A 3 2.741 7.361 0.456 1.00 0.00 C ATOM 47 SG CYS A 3 1.072 7.895 -0.017 1.00 0.00 S ATOM 0 H CYS A 3 3.509 10.186 1.282 1.00 0.00 H new ATOM 0 HA CYS A 3 2.786 7.647 2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.432 7.536 -0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.744 6.289 0.652 1.00 0.00 H new ATOM 52 N TYR A 4 5.359 8.938 0.981 1.00 0.00 N ATOM 53 CA TYR A 4 6.848 9.021 0.931 1.00 0.00 C ATOM 54 C TYR A 4 7.469 7.642 0.866 1.00 0.00 C ATOM 55 O TYR A 4 7.385 6.988 -0.148 1.00 0.00 O ATOM 56 CB TYR A 4 7.378 9.811 2.135 1.00 0.00 C ATOM 57 CG TYR A 4 6.428 9.653 3.314 1.00 0.00 C ATOM 58 CD1 TYR A 4 5.209 10.344 3.327 1.00 0.00 C ATOM 59 CD2 TYR A 4 6.773 8.822 4.389 1.00 0.00 C ATOM 60 CE1 TYR A 4 4.335 10.204 4.412 1.00 0.00 C ATOM 61 CE2 TYR A 4 5.899 8.683 5.476 1.00 0.00 C ATOM 62 CZ TYR A 4 4.680 9.373 5.487 1.00 0.00 C ATOM 63 OH TYR A 4 3.818 9.236 6.557 1.00 0.00 O ATOM 0 H TYR A 4 4.880 9.602 0.373 1.00 0.00 H new ATOM 0 HA TYR A 4 7.132 9.551 0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.372 9.455 2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.477 10.865 1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 4 4.943 10.985 2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 4 7.712 8.289 4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 4 3.395 10.736 4.421 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.165 8.044 6.305 1.00 0.00 H new ATOM 0 HH TYR A 4 4.208 8.623 7.215 1.00 0.00 H new ATOM 73 N LEU A 5 8.123 7.179 1.896 1.00 0.00 N ATOM 74 CA LEU A 5 8.732 5.856 1.772 1.00 0.00 C ATOM 75 C LEU A 5 8.631 5.032 3.048 1.00 0.00 C ATOM 76 O LEU A 5 9.628 4.706 3.662 1.00 0.00 O ATOM 77 CB LEU A 5 10.186 5.956 1.369 1.00 0.00 C ATOM 78 CG LEU A 5 10.378 7.062 0.334 1.00 0.00 C ATOM 79 CD1 LEU A 5 11.817 7.578 0.399 1.00 0.00 C ATOM 80 CD2 LEU A 5 10.099 6.506 -1.063 1.00 0.00 C ATOM 0 H LEU A 5 8.252 7.655 2.789 1.00 0.00 H new ATOM 0 HA LEU A 5 8.164 5.346 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.800 6.160 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.522 5.004 0.959 1.00 0.00 H new ATOM 0 HG LEU A 5 9.689 7.880 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 5 11.954 8.368 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 5 12.017 7.974 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 5 12.507 6.760 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.236 7.295 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 5 10.788 5.688 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.074 6.138 -1.110 1.00 0.00 H new ATOM 92 N ASN A 6 7.453 4.638 3.430 1.00 0.00 N ATOM 93 CA ASN A 6 7.338 3.778 4.630 1.00 0.00 C ATOM 94 C ASN A 6 8.175 2.527 4.345 1.00 0.00 C ATOM 95 O ASN A 6 8.761 2.425 3.287 1.00 0.00 O ATOM 96 CB ASN A 6 5.855 3.422 4.858 1.00 0.00 C ATOM 97 CG ASN A 6 5.500 2.083 4.186 1.00 0.00 C ATOM 98 OD1 ASN A 6 5.207 1.114 4.859 1.00 0.00 O ATOM 99 ND2 ASN A 6 5.515 1.988 2.882 1.00 0.00 N ATOM 0 H ASN A 6 6.574 4.872 2.968 1.00 0.00 H new ATOM 0 HA ASN A 6 7.697 4.274 5.532 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.652 3.362 5.927 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.221 4.213 4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.281 1.103 2.432 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.760 2.799 2.314 1.00 0.00 H new ATOM 106 N PRO A 7 8.200 1.608 5.265 1.00 0.00 N ATOM 107 CA PRO A 7 8.952 0.358 5.084 1.00 0.00 C ATOM 108 C PRO A 7 8.181 -0.574 4.143 1.00 0.00 C ATOM 109 O PRO A 7 7.575 -1.536 4.570 1.00 0.00 O ATOM 110 CB PRO A 7 9.040 -0.217 6.501 1.00 0.00 C ATOM 111 CG PRO A 7 7.882 0.426 7.304 1.00 0.00 C ATOM 112 CD PRO A 7 7.495 1.718 6.557 1.00 0.00 C ATOM 0 HA PRO A 7 9.937 0.495 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.947 -1.303 6.486 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.003 0.014 6.955 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.032 -0.253 7.370 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.194 0.647 8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.416 1.791 6.418 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.806 2.606 7.107 1.00 0.00 H new ATOM 120 N HIS A 8 8.186 -0.289 2.862 1.00 0.00 N ATOM 121 CA HIS A 8 7.437 -1.157 1.909 1.00 0.00 C ATOM 122 C HIS A 8 7.353 -0.495 0.524 1.00 0.00 C ATOM 123 O HIS A 8 6.287 -0.367 -0.034 1.00 0.00 O ATOM 124 CB HIS A 8 6.017 -1.363 2.443 1.00 0.00 C ATOM 125 CG HIS A 8 5.859 -2.764 2.966 1.00 0.00 C ATOM 126 ND1 HIS A 8 5.834 -3.867 2.131 1.00 0.00 N ATOM 127 CD2 HIS A 8 5.687 -3.254 4.238 1.00 0.00 C ATOM 128 CE1 HIS A 8 5.647 -4.955 2.899 1.00 0.00 C ATOM 129 NE2 HIS A 8 5.554 -4.637 4.192 1.00 0.00 N ATOM 0 H HIS A 8 8.674 0.502 2.441 1.00 0.00 H new ATOM 0 HA HIS A 8 7.958 -2.110 1.814 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.811 -0.645 3.237 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.292 -1.179 1.650 1.00 0.00 H new ATOM 0 HD2 HIS A 8 5.659 -2.656 5.137 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.580 -5.963 2.516 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.415 -5.272 4.978 1.00 0.00 H new ATOM 137 N ASP A 9 8.461 -0.089 -0.042 1.00 0.00 N ATOM 138 CA ASP A 9 8.422 0.548 -1.403 1.00 0.00 C ATOM 139 C ASP A 9 7.836 1.964 -1.314 1.00 0.00 C ATOM 140 O ASP A 9 8.559 2.941 -1.314 1.00 0.00 O ATOM 141 CB ASP A 9 7.554 -0.301 -2.332 1.00 0.00 C ATOM 142 CG ASP A 9 8.399 -0.797 -3.507 1.00 0.00 C ATOM 143 OD1 ASP A 9 9.520 -1.217 -3.271 1.00 0.00 O ATOM 144 OD2 ASP A 9 7.910 -0.748 -4.624 1.00 0.00 O ATOM 0 H ASP A 9 9.389 -0.168 0.373 1.00 0.00 H new ATOM 0 HA ASP A 9 9.437 0.610 -1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.139 -1.148 -1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.712 0.286 -2.698 1.00 0.00 H new ATOM 149 N THR A 10 6.532 2.079 -1.231 1.00 0.00 N ATOM 150 CA THR A 10 5.877 3.422 -1.122 1.00 0.00 C ATOM 151 C THR A 10 5.794 4.112 -2.487 1.00 0.00 C ATOM 152 O THR A 10 6.254 3.603 -3.489 1.00 0.00 O ATOM 153 CB THR A 10 6.662 4.312 -0.150 1.00 0.00 C ATOM 154 OG1 THR A 10 7.531 3.507 0.638 1.00 0.00 O ATOM 155 CG2 THR A 10 5.703 5.033 0.778 1.00 0.00 C ATOM 0 H THR A 10 5.886 1.290 -1.234 1.00 0.00 H new ATOM 0 HA THR A 10 4.864 3.270 -0.748 1.00 0.00 H new ATOM 0 HB THR A 10 7.238 5.037 -0.725 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.422 3.492 0.231 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.267 5.663 1.466 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.025 5.653 0.191 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.127 4.302 1.345 1.00 0.00 H new ATOM 163 N GLN A 11 5.199 5.279 -2.517 1.00 0.00 N ATOM 164 CA GLN A 11 5.061 6.036 -3.788 1.00 0.00 C ATOM 165 C GLN A 11 4.350 7.364 -3.497 1.00 0.00 C ATOM 166 O GLN A 11 3.144 7.469 -3.594 1.00 0.00 O ATOM 167 CB GLN A 11 4.242 5.216 -4.787 1.00 0.00 C ATOM 168 CG GLN A 11 3.806 6.110 -5.949 1.00 0.00 C ATOM 169 CD GLN A 11 4.301 5.513 -7.267 1.00 0.00 C ATOM 170 OE1 GLN A 11 5.457 5.652 -7.614 1.00 0.00 O ATOM 171 NE2 GLN A 11 3.469 4.848 -8.023 1.00 0.00 N ATOM 0 H GLN A 11 4.799 5.741 -1.700 1.00 0.00 H new ATOM 0 HA GLN A 11 6.045 6.231 -4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.835 4.381 -5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.368 4.791 -4.294 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.720 6.201 -5.964 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.208 7.115 -5.819 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.498 4.731 -7.733 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.790 4.446 -8.904 1.00 0.00 H new ATOM 180 N THR A 12 5.095 8.371 -3.125 1.00 0.00 N ATOM 181 CA THR A 12 4.489 9.695 -2.803 1.00 0.00 C ATOM 182 C THR A 12 3.352 10.020 -3.773 1.00 0.00 C ATOM 183 O THR A 12 3.317 9.550 -4.893 1.00 0.00 O ATOM 184 CB THR A 12 5.560 10.784 -2.910 1.00 0.00 C ATOM 185 OG1 THR A 12 5.809 11.069 -4.280 1.00 0.00 O ATOM 186 CG2 THR A 12 6.851 10.307 -2.244 1.00 0.00 C ATOM 0 H THR A 12 6.110 8.331 -3.030 1.00 0.00 H new ATOM 0 HA THR A 12 4.090 9.655 -1.790 1.00 0.00 H new ATOM 0 HB THR A 12 5.209 11.686 -2.408 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.493 11.767 -4.350 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.610 11.085 -2.323 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.660 10.091 -1.193 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.205 9.404 -2.741 1.00 0.00 H new ATOM 194 N CYS A 13 2.427 10.834 -3.343 1.00 0.00 N ATOM 195 CA CYS A 13 1.288 11.218 -4.219 1.00 0.00 C ATOM 196 C CYS A 13 1.105 12.740 -4.155 1.00 0.00 C ATOM 197 O CYS A 13 0.158 13.227 -3.569 1.00 0.00 O ATOM 198 CB CYS A 13 0.015 10.527 -3.727 1.00 0.00 C ATOM 199 SG CYS A 13 -1.426 11.237 -4.560 1.00 0.00 S ATOM 0 H CYS A 13 2.413 11.252 -2.413 1.00 0.00 H new ATOM 0 HA CYS A 13 1.488 10.914 -5.246 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.071 9.457 -3.925 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.081 10.647 -2.648 1.00 0.00 H new ATOM 204 N PRO A 14 2.028 13.446 -4.755 1.00 0.00 N ATOM 205 CA PRO A 14 2.008 14.919 -4.783 1.00 0.00 C ATOM 206 C PRO A 14 1.006 15.422 -5.827 1.00 0.00 C ATOM 207 O PRO A 14 0.580 16.560 -5.793 1.00 0.00 O ATOM 208 CB PRO A 14 3.440 15.288 -5.179 1.00 0.00 C ATOM 209 CG PRO A 14 4.028 14.049 -5.897 1.00 0.00 C ATOM 210 CD PRO A 14 3.177 12.842 -5.460 1.00 0.00 C ATOM 0 HA PRO A 14 1.704 15.362 -3.835 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.449 16.158 -5.835 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.032 15.545 -4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.994 14.176 -6.979 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.074 13.904 -5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.853 12.252 -6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.739 12.174 -4.807 1.00 0.00 H new ATOM 218 N SER A 15 0.627 14.586 -6.754 1.00 0.00 N ATOM 219 CA SER A 15 -0.345 15.021 -7.797 1.00 0.00 C ATOM 220 C SER A 15 -1.375 13.914 -8.030 1.00 0.00 C ATOM 221 O SER A 15 -1.164 12.771 -7.677 1.00 0.00 O ATOM 222 CB SER A 15 0.401 15.306 -9.101 1.00 0.00 C ATOM 223 OG SER A 15 1.086 16.548 -8.990 1.00 0.00 O ATOM 0 H SER A 15 0.948 13.621 -6.835 1.00 0.00 H new ATOM 0 HA SER A 15 -0.854 15.925 -7.464 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.109 14.505 -9.311 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.300 15.338 -9.935 1.00 0.00 H new ATOM 0 HG SER A 15 1.566 16.732 -9.824 1.00 0.00 H new ATOM 229 N GLY A 16 -2.491 14.245 -8.625 1.00 0.00 N ATOM 230 CA GLY A 16 -3.533 13.211 -8.881 1.00 0.00 C ATOM 231 C GLY A 16 -4.578 13.249 -7.765 1.00 0.00 C ATOM 232 O GLY A 16 -5.450 14.095 -7.745 1.00 0.00 O ATOM 0 H GLY A 16 -2.724 15.185 -8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.009 13.391 -9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.075 12.223 -8.931 1.00 0.00 H new ATOM 236 N GLN A 17 -4.497 12.338 -6.834 1.00 0.00 N ATOM 237 CA GLN A 17 -5.485 12.320 -5.719 1.00 0.00 C ATOM 238 C GLN A 17 -4.791 12.735 -4.420 1.00 0.00 C ATOM 239 O GLN A 17 -3.759 13.376 -4.435 1.00 0.00 O ATOM 240 CB GLN A 17 -6.057 10.908 -5.569 1.00 0.00 C ATOM 241 CG GLN A 17 -6.709 10.479 -6.885 1.00 0.00 C ATOM 242 CD GLN A 17 -8.214 10.742 -6.820 1.00 0.00 C ATOM 243 OE1 GLN A 17 -8.713 11.240 -5.831 1.00 0.00 O ATOM 244 NE2 GLN A 17 -8.964 10.427 -7.841 1.00 0.00 N ATOM 0 H GLN A 17 -3.789 11.605 -6.798 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.295 13.017 -5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.265 10.210 -5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.790 10.885 -4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.269 11.029 -7.717 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.522 9.421 -7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.545 10.009 -8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.969 10.599 -7.808 1.00 0.00 H new ATOM 253 N GLU A 18 -5.348 12.378 -3.294 1.00 0.00 N ATOM 254 CA GLU A 18 -4.714 12.757 -2.000 1.00 0.00 C ATOM 255 C GLU A 18 -4.789 11.581 -1.023 1.00 0.00 C ATOM 256 O GLU A 18 -4.431 11.701 0.132 1.00 0.00 O ATOM 257 CB GLU A 18 -5.452 13.959 -1.406 1.00 0.00 C ATOM 258 CG GLU A 18 -6.845 13.526 -0.943 1.00 0.00 C ATOM 259 CD GLU A 18 -7.009 13.841 0.545 1.00 0.00 C ATOM 260 OE1 GLU A 18 -6.000 14.002 1.210 1.00 0.00 O ATOM 261 OE2 GLU A 18 -8.141 13.915 0.993 1.00 0.00 O ATOM 0 H GLU A 18 -6.212 11.842 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.669 13.016 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.889 14.366 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.535 14.752 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.610 14.044 -1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.982 12.459 -1.117 1.00 0.00 H new ATOM 268 N ILE A 19 -5.249 10.446 -1.474 1.00 0.00 N ATOM 269 CA ILE A 19 -5.343 9.269 -0.570 1.00 0.00 C ATOM 270 C ILE A 19 -4.205 8.307 -0.875 1.00 0.00 C ATOM 271 O ILE A 19 -3.632 8.317 -1.945 1.00 0.00 O ATOM 272 CB ILE A 19 -6.672 8.555 -0.799 1.00 0.00 C ATOM 273 CG1 ILE A 19 -7.801 9.605 -0.907 1.00 0.00 C ATOM 274 CG2 ILE A 19 -6.929 7.573 0.353 1.00 0.00 C ATOM 275 CD1 ILE A 19 -8.728 9.565 0.317 1.00 0.00 C ATOM 0 H ILE A 19 -5.564 10.285 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.279 9.603 0.466 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.642 7.987 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.366 10.600 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.383 9.423 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.878 7.062 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.124 6.839 0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.968 8.120 1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.510 10.317 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.183 8.578 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.150 9.772 1.218 1.00 0.00 H new ATOM 287 N CYS A 20 -3.884 7.476 0.063 1.00 0.00 N ATOM 288 CA CYS A 20 -2.787 6.492 -0.149 1.00 0.00 C ATOM 289 C CYS A 20 -3.323 5.086 0.123 1.00 0.00 C ATOM 290 O CYS A 20 -3.735 4.768 1.218 1.00 0.00 O ATOM 291 CB CYS A 20 -1.632 6.798 0.813 1.00 0.00 C ATOM 292 SG CYS A 20 -0.064 6.226 0.101 1.00 0.00 S ATOM 0 H CYS A 20 -4.334 7.431 0.977 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.425 6.556 -1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.583 7.869 1.007 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.806 6.308 1.771 1.00 0.00 H new ATOM 297 N TYR A 21 -3.315 4.226 -0.851 1.00 0.00 N ATOM 298 CA TYR A 21 -3.819 2.854 -0.594 1.00 0.00 C ATOM 299 C TYR A 21 -2.615 1.956 -0.346 1.00 0.00 C ATOM 300 O TYR A 21 -1.529 2.221 -0.820 1.00 0.00 O ATOM 301 CB TYR A 21 -4.633 2.340 -1.792 1.00 0.00 C ATOM 302 CG TYR A 21 -3.711 1.832 -2.876 1.00 0.00 C ATOM 303 CD1 TYR A 21 -3.054 0.603 -2.722 1.00 0.00 C ATOM 304 CD2 TYR A 21 -3.510 2.592 -4.032 1.00 0.00 C ATOM 305 CE1 TYR A 21 -2.196 0.138 -3.724 1.00 0.00 C ATOM 306 CE2 TYR A 21 -2.652 2.126 -5.036 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.995 0.899 -4.880 1.00 0.00 C ATOM 308 OH TYR A 21 -1.149 0.441 -5.868 1.00 0.00 O ATOM 0 H TYR A 21 -2.987 4.409 -1.799 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.479 2.854 0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.301 1.541 -1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.260 3.141 -2.184 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.210 0.015 -1.830 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.016 3.539 -4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.689 -0.808 -3.605 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.497 2.712 -5.930 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.123 1.089 -6.603 1.00 0.00 H new ATOM 318 N VAL A 22 -2.788 0.906 0.390 1.00 0.00 N ATOM 319 CA VAL A 22 -1.634 0.015 0.659 1.00 0.00 C ATOM 320 C VAL A 22 -1.941 -1.388 0.136 1.00 0.00 C ATOM 321 O VAL A 22 -2.743 -2.108 0.693 1.00 0.00 O ATOM 322 CB VAL A 22 -1.363 -0.023 2.166 1.00 0.00 C ATOM 323 CG1 VAL A 22 -1.328 1.406 2.718 1.00 0.00 C ATOM 324 CG2 VAL A 22 -2.469 -0.807 2.868 1.00 0.00 C ATOM 0 H VAL A 22 -3.671 0.625 0.816 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.747 0.393 0.150 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.403 -0.508 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.135 1.377 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.537 1.968 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.287 1.890 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.273 -0.832 3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.429 -0.324 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.496 -1.825 2.480 1.00 0.00 H new ATOM 334 N LYS A 23 -1.308 -1.783 -0.936 1.00 0.00 N ATOM 335 CA LYS A 23 -1.568 -3.141 -1.489 1.00 0.00 C ATOM 336 C LYS A 23 -0.384 -4.042 -1.158 1.00 0.00 C ATOM 337 O LYS A 23 0.756 -3.687 -1.377 1.00 0.00 O ATOM 338 CB LYS A 23 -1.744 -3.056 -3.007 1.00 0.00 C ATOM 339 CG LYS A 23 -2.038 -4.448 -3.569 1.00 0.00 C ATOM 340 CD LYS A 23 -3.188 -4.361 -4.573 1.00 0.00 C ATOM 341 CE LYS A 23 -2.660 -4.640 -5.982 1.00 0.00 C ATOM 342 NZ LYS A 23 -3.645 -4.152 -6.988 1.00 0.00 N ATOM 0 H LYS A 23 -0.625 -1.226 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.478 -3.550 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.559 -2.375 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.842 -2.651 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.149 -4.852 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.298 -5.131 -2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.965 -5.081 -4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.645 -3.372 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.700 -4.144 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.490 -5.709 -6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.286 -4.342 -7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.551 -4.645 -6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.786 -3.129 -6.868 1.00 0.00 H new ATOM 356 N SER A 24 -0.638 -5.199 -0.618 1.00 0.00 N ATOM 357 CA SER A 24 0.489 -6.100 -0.266 1.00 0.00 C ATOM 358 C SER A 24 0.224 -7.509 -0.801 1.00 0.00 C ATOM 359 O SER A 24 -0.699 -8.180 -0.384 1.00 0.00 O ATOM 360 CB SER A 24 0.641 -6.153 1.253 1.00 0.00 C ATOM 361 OG SER A 24 1.436 -5.057 1.684 1.00 0.00 O ATOM 0 H SER A 24 -1.570 -5.557 -0.407 1.00 0.00 H new ATOM 0 HA SER A 24 1.405 -5.716 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.339 -6.116 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.105 -7.093 1.551 1.00 0.00 H new ATOM 0 HG SER A 24 1.534 -5.087 2.659 1.00 0.00 H new ATOM 367 N TRP A 25 1.030 -7.960 -1.723 1.00 0.00 N ATOM 368 CA TRP A 25 0.823 -9.330 -2.281 1.00 0.00 C ATOM 369 C TRP A 25 2.168 -10.043 -2.434 1.00 0.00 C ATOM 370 O TRP A 25 3.177 -9.434 -2.731 1.00 0.00 O ATOM 371 CB TRP A 25 0.181 -9.213 -3.655 1.00 0.00 C ATOM 372 CG TRP A 25 1.121 -8.490 -4.547 1.00 0.00 C ATOM 373 CD1 TRP A 25 1.922 -9.044 -5.482 1.00 0.00 C ATOM 374 CD2 TRP A 25 1.379 -7.079 -4.567 1.00 0.00 C ATOM 375 NE1 TRP A 25 2.639 -8.035 -6.104 1.00 0.00 N ATOM 376 CE2 TRP A 25 2.337 -6.798 -5.565 1.00 0.00 C ATOM 377 CE3 TRP A 25 0.859 -6.028 -3.819 1.00 0.00 C ATOM 378 CZ2 TRP A 25 2.766 -5.491 -5.807 1.00 0.00 C ATOM 379 CZ3 TRP A 25 1.280 -4.727 -4.045 1.00 0.00 C ATOM 380 CH2 TRP A 25 2.233 -4.446 -5.039 1.00 0.00 C ATOM 0 H TRP A 25 1.819 -7.444 -2.113 1.00 0.00 H new ATOM 0 HA TRP A 25 0.183 -9.897 -1.605 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -0.039 -10.202 -4.057 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.766 -8.678 -3.587 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.992 -10.098 -5.707 1.00 0.00 H new ATOM 0 HE1 TRP A 25 3.304 -8.185 -6.862 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.121 -6.227 -3.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 3.498 -5.288 -6.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 0.872 -3.922 -3.452 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.554 -3.429 -5.211 1.00 0.00 H new ATOM 391 N CYS A 26 2.185 -11.334 -2.244 1.00 0.00 N ATOM 392 CA CYS A 26 3.457 -12.097 -2.391 1.00 0.00 C ATOM 393 C CYS A 26 3.453 -12.820 -3.737 1.00 0.00 C ATOM 394 O CYS A 26 2.604 -12.595 -4.576 1.00 0.00 O ATOM 395 CB CYS A 26 3.570 -13.129 -1.265 1.00 0.00 C ATOM 396 SG CYS A 26 5.236 -13.082 -0.559 1.00 0.00 S ATOM 0 H CYS A 26 1.371 -11.895 -1.993 1.00 0.00 H new ATOM 0 HA CYS A 26 4.302 -11.411 -2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.831 -12.920 -0.492 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.356 -14.126 -1.650 1.00 0.00 H new ATOM 401 N ASN A 27 4.393 -13.696 -3.943 1.00 0.00 N ATOM 402 CA ASN A 27 4.450 -14.451 -5.225 1.00 0.00 C ATOM 403 C ASN A 27 4.297 -15.943 -4.922 1.00 0.00 C ATOM 404 O ASN A 27 4.280 -16.351 -3.778 1.00 0.00 O ATOM 405 CB ASN A 27 5.795 -14.200 -5.909 1.00 0.00 C ATOM 406 CG ASN A 27 5.574 -13.411 -7.200 1.00 0.00 C ATOM 407 OD1 ASN A 27 5.656 -12.199 -7.207 1.00 0.00 O ATOM 408 ND2 ASN A 27 5.295 -14.052 -8.302 1.00 0.00 N ATOM 0 H ASN A 27 5.129 -13.924 -3.275 1.00 0.00 H new ATOM 0 HA ASN A 27 3.649 -14.122 -5.887 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.456 -13.647 -5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.285 -15.148 -6.130 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.146 -13.535 -9.169 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.226 -15.070 -8.297 1.00 0.00 H new ATOM 415 N ALA A 28 4.183 -16.762 -5.929 1.00 0.00 N ATOM 416 CA ALA A 28 4.030 -18.222 -5.676 1.00 0.00 C ATOM 417 C ALA A 28 5.343 -18.800 -5.164 1.00 0.00 C ATOM 418 O ALA A 28 5.420 -19.943 -4.760 1.00 0.00 O ATOM 419 CB ALA A 28 3.626 -18.931 -6.972 1.00 0.00 C ATOM 0 H ALA A 28 4.189 -16.486 -6.911 1.00 0.00 H new ATOM 0 HA ALA A 28 3.255 -18.374 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.515 -19.999 -6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.679 -18.525 -7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.396 -18.774 -7.728 1.00 0.00 H new ATOM 425 N TRP A 29 6.378 -18.021 -5.195 1.00 0.00 N ATOM 426 CA TRP A 29 7.698 -18.513 -4.732 1.00 0.00 C ATOM 427 C TRP A 29 8.418 -17.422 -3.932 1.00 0.00 C ATOM 428 O TRP A 29 9.626 -17.434 -3.804 1.00 0.00 O ATOM 429 CB TRP A 29 8.535 -18.875 -5.947 1.00 0.00 C ATOM 430 CG TRP A 29 7.886 -19.989 -6.699 1.00 0.00 C ATOM 431 CD1 TRP A 29 6.680 -19.952 -7.316 1.00 0.00 C ATOM 432 CD2 TRP A 29 8.419 -21.306 -6.919 1.00 0.00 C ATOM 433 NE1 TRP A 29 6.447 -21.189 -7.901 1.00 0.00 N ATOM 434 CE2 TRP A 29 7.500 -22.058 -7.681 1.00 0.00 C ATOM 435 CE3 TRP A 29 9.612 -21.901 -6.522 1.00 0.00 C ATOM 436 CZ2 TRP A 29 7.768 -23.382 -8.040 1.00 0.00 C ATOM 437 CZ3 TRP A 29 9.897 -23.232 -6.875 1.00 0.00 C ATOM 438 CH2 TRP A 29 8.974 -23.971 -7.635 1.00 0.00 C ATOM 0 H TRP A 29 6.368 -17.056 -5.524 1.00 0.00 H new ATOM 0 HA TRP A 29 7.557 -19.385 -4.093 1.00 0.00 H new ATOM 0 HB2 TRP A 29 8.647 -18.005 -6.594 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.536 -19.171 -5.634 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.013 -19.103 -7.347 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.606 -21.427 -8.427 1.00 0.00 H new ATOM 0 HE3 TRP A 29 10.324 -21.337 -5.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 7.054 -23.945 -8.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 10.825 -23.687 -6.562 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.194 -24.993 -7.907 1.00 0.00 H new ATOM 449 N CYS A 30 7.695 -16.472 -3.397 1.00 0.00 N ATOM 450 CA CYS A 30 8.351 -15.378 -2.612 1.00 0.00 C ATOM 451 C CYS A 30 8.875 -15.869 -1.261 1.00 0.00 C ATOM 452 O CYS A 30 9.039 -15.080 -0.356 1.00 0.00 O ATOM 453 CB CYS A 30 7.362 -14.251 -2.356 1.00 0.00 C ATOM 454 SG CYS A 30 6.092 -14.801 -1.188 1.00 0.00 S ATOM 0 H CYS A 30 6.680 -16.405 -3.468 1.00 0.00 H new ATOM 0 HA CYS A 30 9.194 -15.027 -3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.884 -13.381 -1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.898 -13.942 -3.293 1.00 0.00 H new ATOM 459 N SER A 31 9.137 -17.137 -1.096 1.00 0.00 N ATOM 460 CA SER A 31 9.651 -17.618 0.219 1.00 0.00 C ATOM 461 C SER A 31 10.762 -16.674 0.678 1.00 0.00 C ATOM 462 O SER A 31 11.913 -16.836 0.321 1.00 0.00 O ATOM 463 CB SER A 31 10.209 -19.033 0.068 1.00 0.00 C ATOM 464 OG SER A 31 10.571 -19.535 1.348 1.00 0.00 O ATOM 0 H SER A 31 9.019 -17.857 -1.809 1.00 0.00 H new ATOM 0 HA SER A 31 8.845 -17.634 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.465 -19.682 -0.393 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.077 -19.025 -0.591 1.00 0.00 H new ATOM 0 HG SER A 31 10.928 -20.443 1.254 1.00 0.00 H new ATOM 470 N SER A 32 10.417 -15.674 1.444 1.00 0.00 N ATOM 471 CA SER A 32 11.434 -14.691 1.902 1.00 0.00 C ATOM 472 C SER A 32 12.369 -14.364 0.748 1.00 0.00 C ATOM 473 O SER A 32 13.491 -14.824 0.679 1.00 0.00 O ATOM 474 CB SER A 32 12.241 -15.260 3.052 1.00 0.00 C ATOM 475 OG SER A 32 11.440 -16.179 3.785 1.00 0.00 O ATOM 0 H SER A 32 9.468 -15.497 1.773 1.00 0.00 H new ATOM 0 HA SER A 32 10.925 -13.788 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.132 -15.760 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.580 -14.456 3.705 1.00 0.00 H new ATOM 0 HG SER A 32 11.962 -16.548 4.528 1.00 0.00 H new ATOM 481 N ARG A 33 11.899 -13.572 -0.155 1.00 0.00 N ATOM 482 CA ARG A 33 12.734 -13.192 -1.329 1.00 0.00 C ATOM 483 C ARG A 33 12.553 -11.698 -1.634 1.00 0.00 C ATOM 484 O ARG A 33 13.086 -10.852 -0.944 1.00 0.00 O ATOM 485 CB ARG A 33 12.320 -14.038 -2.537 1.00 0.00 C ATOM 486 CG ARG A 33 13.223 -13.710 -3.728 1.00 0.00 C ATOM 487 CD ARG A 33 14.180 -14.877 -3.979 1.00 0.00 C ATOM 488 NE ARG A 33 14.886 -14.673 -5.274 1.00 0.00 N ATOM 489 CZ ARG A 33 14.904 -15.627 -6.165 1.00 0.00 C ATOM 490 NH1 ARG A 33 13.807 -15.959 -6.788 1.00 0.00 N ATOM 491 NH2 ARG A 33 16.020 -16.249 -6.431 1.00 0.00 N ATOM 0 H ARG A 33 10.965 -13.163 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 33 13.785 -13.376 -1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.393 -15.098 -2.293 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.279 -13.841 -2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.619 -13.524 -4.616 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.788 -12.799 -3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.903 -14.949 -3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.627 -15.816 -3.998 1.00 0.00 H new ATOM 0 HE ARG A 33 15.356 -13.788 -5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.935 -15.473 -6.579 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.821 -16.704 -7.484 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.877 -15.990 -5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.035 -16.995 -7.127 1.00 0.00 H new ATOM 505 N GLY A 34 11.809 -11.359 -2.657 1.00 0.00 N ATOM 506 CA GLY A 34 11.611 -9.918 -2.985 1.00 0.00 C ATOM 507 C GLY A 34 10.115 -9.621 -3.096 1.00 0.00 C ATOM 508 O GLY A 34 9.629 -9.209 -4.130 1.00 0.00 O ATOM 0 H GLY A 34 11.333 -12.016 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.060 -9.293 -2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.111 -9.675 -3.923 1.00 0.00 H new ATOM 512 N LYS A 35 9.382 -9.828 -2.037 1.00 0.00 N ATOM 513 CA LYS A 35 7.916 -9.559 -2.079 1.00 0.00 C ATOM 514 C LYS A 35 7.665 -8.193 -2.724 1.00 0.00 C ATOM 515 O LYS A 35 8.488 -7.302 -2.653 1.00 0.00 O ATOM 516 CB LYS A 35 7.358 -9.567 -0.653 1.00 0.00 C ATOM 517 CG LYS A 35 7.714 -10.891 0.028 1.00 0.00 C ATOM 518 CD LYS A 35 7.078 -10.941 1.418 1.00 0.00 C ATOM 519 CE LYS A 35 8.104 -11.449 2.432 1.00 0.00 C ATOM 520 NZ LYS A 35 8.202 -12.934 2.342 1.00 0.00 N ATOM 0 H LYS A 35 9.734 -10.172 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 35 7.419 -10.331 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.769 -8.732 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.276 -9.436 -0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.361 -11.728 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.796 -10.990 0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.728 -9.949 1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.207 -11.596 1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.077 -10.998 2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.811 -11.154 3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.900 -13.278 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.274 -13.356 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.500 -13.205 1.383 1.00 0.00 H new ATOM 534 N VAL A 36 6.533 -8.021 -3.353 1.00 0.00 N ATOM 535 CA VAL A 36 6.228 -6.714 -4.004 1.00 0.00 C ATOM 536 C VAL A 36 5.110 -6.026 -3.224 1.00 0.00 C ATOM 537 O VAL A 36 3.965 -6.032 -3.625 1.00 0.00 O ATOM 538 CB VAL A 36 5.770 -6.938 -5.451 1.00 0.00 C ATOM 539 CG1 VAL A 36 6.504 -5.964 -6.374 1.00 0.00 C ATOM 540 CG2 VAL A 36 6.076 -8.375 -5.888 1.00 0.00 C ATOM 0 H VAL A 36 5.806 -8.730 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 36 7.124 -6.094 -4.008 1.00 0.00 H new ATOM 0 HB VAL A 36 4.695 -6.768 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.179 -6.122 -7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.278 -4.940 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.578 -6.134 -6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.746 -8.521 -6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.149 -8.555 -5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.551 -9.073 -5.236 1.00 0.00 H new ATOM 550 N LEU A 37 5.424 -5.458 -2.096 1.00 0.00 N ATOM 551 CA LEU A 37 4.383 -4.801 -1.278 1.00 0.00 C ATOM 552 C LEU A 37 4.608 -3.285 -1.254 1.00 0.00 C ATOM 553 O LEU A 37 5.471 -2.787 -0.560 1.00 0.00 O ATOM 554 CB LEU A 37 4.490 -5.369 0.131 1.00 0.00 C ATOM 555 CG LEU A 37 3.773 -6.722 0.192 1.00 0.00 C ATOM 556 CD1 LEU A 37 4.117 -7.560 -1.047 1.00 0.00 C ATOM 557 CD2 LEU A 37 4.200 -7.477 1.447 1.00 0.00 C ATOM 0 H LEU A 37 6.366 -5.423 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 37 3.393 -4.985 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.537 -5.488 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.047 -4.678 0.848 1.00 0.00 H new ATOM 0 HG LEU A 37 2.697 -6.547 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.602 -8.519 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.801 -7.029 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.193 -7.728 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.687 -8.438 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.277 -7.641 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.941 -6.892 2.329 1.00 0.00 H new ATOM 569 N GLU A 38 3.838 -2.544 -2.007 1.00 0.00 N ATOM 570 CA GLU A 38 4.015 -1.064 -2.018 1.00 0.00 C ATOM 571 C GLU A 38 2.659 -0.370 -1.887 1.00 0.00 C ATOM 572 O GLU A 38 1.612 -0.968 -2.059 1.00 0.00 O ATOM 573 CB GLU A 38 4.677 -0.632 -3.328 1.00 0.00 C ATOM 574 CG GLU A 38 3.809 -1.069 -4.510 1.00 0.00 C ATOM 575 CD GLU A 38 4.695 -1.691 -5.590 1.00 0.00 C ATOM 576 OE1 GLU A 38 4.999 -2.867 -5.474 1.00 0.00 O ATOM 577 OE2 GLU A 38 5.054 -0.982 -6.516 1.00 0.00 O ATOM 0 H GLU A 38 3.097 -2.899 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 38 4.647 -0.781 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.809 0.450 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.670 -1.075 -3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.061 -1.789 -4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.270 -0.213 -4.915 1.00 0.00 H new ATOM 584 N PHE A 39 2.680 0.898 -1.584 1.00 0.00 N ATOM 585 CA PHE A 39 1.420 1.660 -1.437 1.00 0.00 C ATOM 586 C PHE A 39 1.465 2.867 -2.378 1.00 0.00 C ATOM 587 O PHE A 39 2.504 3.463 -2.581 1.00 0.00 O ATOM 588 CB PHE A 39 1.289 2.113 0.018 1.00 0.00 C ATOM 589 CG PHE A 39 1.755 0.990 0.920 1.00 0.00 C ATOM 590 CD1 PHE A 39 1.386 -0.332 0.637 1.00 0.00 C ATOM 591 CD2 PHE A 39 2.558 1.268 2.033 1.00 0.00 C ATOM 592 CE1 PHE A 39 1.817 -1.376 1.465 1.00 0.00 C ATOM 593 CE2 PHE A 39 2.992 0.222 2.861 1.00 0.00 C ATOM 594 CZ PHE A 39 2.621 -1.100 2.576 1.00 0.00 C ATOM 0 H PHE A 39 3.530 1.441 -1.431 1.00 0.00 H new ATOM 0 HA PHE A 39 0.559 1.043 -1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.886 3.008 0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.254 2.372 0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.768 -0.546 -0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.843 2.286 2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.529 -2.394 1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.613 0.435 3.719 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.956 -1.905 3.214 1.00 0.00 H new ATOM 604 N GLY A 40 0.359 3.224 -2.976 1.00 0.00 N ATOM 605 CA GLY A 40 0.374 4.380 -3.920 1.00 0.00 C ATOM 606 C GLY A 40 -0.693 5.403 -3.532 1.00 0.00 C ATOM 607 O GLY A 40 -1.024 5.567 -2.376 1.00 0.00 O ATOM 0 H GLY A 40 -0.546 2.770 -2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.357 4.851 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.197 4.029 -4.937 1.00 0.00 H new ATOM 611 N CYS A 41 -1.232 6.098 -4.499 1.00 0.00 N ATOM 612 CA CYS A 41 -2.266 7.116 -4.204 1.00 0.00 C ATOM 613 C CYS A 41 -3.635 6.526 -4.499 1.00 0.00 C ATOM 614 O CYS A 41 -3.764 5.414 -4.967 1.00 0.00 O ATOM 615 CB CYS A 41 -2.041 8.334 -5.101 1.00 0.00 C ATOM 616 SG CYS A 41 -2.835 9.803 -4.400 1.00 0.00 S ATOM 0 H CYS A 41 -0.994 5.999 -5.486 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.207 7.414 -3.157 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.972 8.513 -5.217 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.442 8.138 -6.096 1.00 0.00 H new ATOM 621 N ALA A 42 -4.651 7.270 -4.229 1.00 0.00 N ATOM 622 CA ALA A 42 -6.031 6.776 -4.482 1.00 0.00 C ATOM 623 C ALA A 42 -7.049 7.821 -4.034 1.00 0.00 C ATOM 624 O ALA A 42 -6.710 8.909 -3.613 1.00 0.00 O ATOM 625 CB ALA A 42 -6.257 5.482 -3.700 1.00 0.00 C ATOM 0 H ALA A 42 -4.594 8.211 -3.839 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.154 6.590 -5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.268 5.118 -3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.536 4.731 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.128 5.673 -2.635 1.00 0.00 H new ATOM 631 N ALA A 43 -8.299 7.484 -4.131 1.00 0.00 N ATOM 632 CA ALA A 43 -9.379 8.422 -3.726 1.00 0.00 C ATOM 633 C ALA A 43 -10.048 7.905 -2.450 1.00 0.00 C ATOM 634 O ALA A 43 -10.305 8.651 -1.526 1.00 0.00 O ATOM 635 CB ALA A 43 -10.416 8.507 -4.845 1.00 0.00 C ATOM 0 H ALA A 43 -8.626 6.583 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.958 9.410 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.211 9.194 -4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.939 8.869 -5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.839 7.519 -5.025 1.00 0.00 H new ATOM 641 N THR A 44 -10.331 6.632 -2.389 1.00 0.00 N ATOM 642 CA THR A 44 -10.981 6.072 -1.174 1.00 0.00 C ATOM 643 C THR A 44 -10.450 4.659 -0.918 1.00 0.00 C ATOM 644 O THR A 44 -10.140 3.925 -1.837 1.00 0.00 O ATOM 645 CB THR A 44 -12.497 6.022 -1.380 1.00 0.00 C ATOM 646 OG1 THR A 44 -13.117 5.540 -0.196 1.00 0.00 O ATOM 647 CG2 THR A 44 -12.826 5.088 -2.546 1.00 0.00 C ATOM 0 H THR A 44 -10.139 5.957 -3.129 1.00 0.00 H new ATOM 0 HA THR A 44 -10.755 6.705 -0.316 1.00 0.00 H new ATOM 0 HB THR A 44 -12.867 7.023 -1.604 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.088 5.509 -0.325 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.906 5.054 -2.691 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.349 5.458 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.458 4.086 -2.325 1.00 0.00 H new ATOM 655 N CYS A 45 -10.338 4.281 0.327 1.00 0.00 N ATOM 656 CA CYS A 45 -9.828 2.938 0.676 1.00 0.00 C ATOM 657 C CYS A 45 -10.370 1.892 -0.314 1.00 0.00 C ATOM 658 O CYS A 45 -11.564 1.822 -0.526 1.00 0.00 O ATOM 659 CB CYS A 45 -10.300 2.607 2.088 1.00 0.00 C ATOM 660 SG CYS A 45 -9.415 1.160 2.711 1.00 0.00 S ATOM 0 H CYS A 45 -10.585 4.863 1.127 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.739 2.925 0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.130 3.459 2.746 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.373 2.415 2.086 1.00 0.00 H new ATOM 665 N PRO A 46 -9.488 1.108 -0.897 1.00 0.00 N ATOM 666 CA PRO A 46 -9.879 0.074 -1.867 1.00 0.00 C ATOM 667 C PRO A 46 -10.309 -1.207 -1.145 1.00 0.00 C ATOM 668 O PRO A 46 -9.643 -1.676 -0.242 1.00 0.00 O ATOM 669 CB PRO A 46 -8.603 -0.157 -2.679 1.00 0.00 C ATOM 670 CG PRO A 46 -7.425 0.330 -1.803 1.00 0.00 C ATOM 671 CD PRO A 46 -8.027 1.171 -0.663 1.00 0.00 C ATOM 0 HA PRO A 46 -10.726 0.368 -2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.489 -1.212 -2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.638 0.392 -3.620 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.866 -0.516 -1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.726 0.924 -2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.762 0.766 0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.663 2.198 -0.691 1.00 0.00 H new ATOM 679 N SER A 47 -11.416 -1.775 -1.537 1.00 0.00 N ATOM 680 CA SER A 47 -11.890 -3.024 -0.878 1.00 0.00 C ATOM 681 C SER A 47 -11.728 -4.200 -1.844 1.00 0.00 C ATOM 682 O SER A 47 -12.597 -5.041 -1.965 1.00 0.00 O ATOM 683 CB SER A 47 -13.363 -2.873 -0.499 1.00 0.00 C ATOM 684 OG SER A 47 -13.498 -1.830 0.457 1.00 0.00 O ATOM 0 H SER A 47 -12.014 -1.427 -2.287 1.00 0.00 H new ATOM 0 HA SER A 47 -11.302 -3.208 0.021 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.957 -2.649 -1.385 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.743 -3.809 -0.089 1.00 0.00 H new ATOM 0 HG SER A 47 -14.442 -1.730 0.701 1.00 0.00 H new ATOM 690 N VAL A 48 -10.621 -4.267 -2.532 1.00 0.00 N ATOM 691 CA VAL A 48 -10.404 -5.387 -3.489 1.00 0.00 C ATOM 692 C VAL A 48 -9.442 -6.403 -2.872 1.00 0.00 C ATOM 693 O VAL A 48 -8.377 -6.663 -3.396 1.00 0.00 O ATOM 694 CB VAL A 48 -9.809 -4.841 -4.775 1.00 0.00 C ATOM 695 CG1 VAL A 48 -9.846 -5.920 -5.858 1.00 0.00 C ATOM 696 CG2 VAL A 48 -10.615 -3.624 -5.237 1.00 0.00 C ATOM 0 H VAL A 48 -9.857 -3.594 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.355 -5.873 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.775 -4.545 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.418 -5.525 -6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.268 -6.784 -5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.878 -6.221 -6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.187 -3.233 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.650 -3.918 -5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.583 -2.853 -4.467 1.00 0.00 H new ATOM 706 N ASN A 49 -9.806 -6.972 -1.757 1.00 0.00 N ATOM 707 CA ASN A 49 -8.922 -7.960 -1.097 1.00 0.00 C ATOM 708 C ASN A 49 -9.148 -9.349 -1.700 1.00 0.00 C ATOM 709 O ASN A 49 -9.461 -10.291 -1.000 1.00 0.00 O ATOM 710 CB ASN A 49 -9.232 -7.996 0.401 1.00 0.00 C ATOM 711 CG ASN A 49 -8.428 -9.115 1.065 1.00 0.00 C ATOM 712 OD1 ASN A 49 -7.244 -8.975 1.293 1.00 0.00 O ATOM 713 ND2 ASN A 49 -9.028 -10.228 1.390 1.00 0.00 N ATOM 0 H ASN A 49 -10.686 -6.790 -1.274 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.882 -7.671 -1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.985 -7.037 0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.298 -8.158 0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.502 -10.980 1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.023 -10.346 1.198 1.00 0.00 H new ATOM 720 N THR A 50 -8.979 -9.494 -2.987 1.00 0.00 N ATOM 721 CA THR A 50 -9.176 -10.838 -3.605 1.00 0.00 C ATOM 722 C THR A 50 -8.012 -11.733 -3.168 1.00 0.00 C ATOM 723 O THR A 50 -7.966 -12.191 -2.043 1.00 0.00 O ATOM 724 CB THR A 50 -9.223 -10.708 -5.135 1.00 0.00 C ATOM 725 OG1 THR A 50 -8.928 -11.966 -5.727 1.00 0.00 O ATOM 726 CG2 THR A 50 -8.205 -9.665 -5.603 1.00 0.00 C ATOM 0 H THR A 50 -8.716 -8.749 -3.632 1.00 0.00 H new ATOM 0 HA THR A 50 -10.119 -11.277 -3.280 1.00 0.00 H new ATOM 0 HB THR A 50 -10.221 -10.389 -5.437 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.960 -11.884 -6.703 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.245 -9.579 -6.689 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.440 -8.700 -5.154 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.204 -9.972 -5.300 1.00 0.00 H new ATOM 734 N GLY A 51 -7.047 -11.952 -4.020 1.00 0.00 N ATOM 735 CA GLY A 51 -5.876 -12.772 -3.613 1.00 0.00 C ATOM 736 C GLY A 51 -4.799 -11.812 -3.110 1.00 0.00 C ATOM 737 O GLY A 51 -3.630 -12.134 -3.050 1.00 0.00 O ATOM 0 H GLY A 51 -7.021 -11.599 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.155 -13.479 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.506 -13.357 -4.455 1.00 0.00 H new ATOM 741 N THR A 52 -5.203 -10.616 -2.763 1.00 0.00 N ATOM 742 CA THR A 52 -4.241 -9.594 -2.277 1.00 0.00 C ATOM 743 C THR A 52 -4.769 -8.988 -0.975 1.00 0.00 C ATOM 744 O THR A 52 -5.912 -9.178 -0.613 1.00 0.00 O ATOM 745 CB THR A 52 -4.129 -8.494 -3.333 1.00 0.00 C ATOM 746 OG1 THR A 52 -3.431 -8.995 -4.465 1.00 0.00 O ATOM 747 CG2 THR A 52 -3.376 -7.296 -2.753 1.00 0.00 C ATOM 0 H THR A 52 -6.174 -10.305 -2.798 1.00 0.00 H new ATOM 0 HA THR A 52 -3.266 -10.047 -2.100 1.00 0.00 H new ATOM 0 HB THR A 52 -5.128 -8.177 -3.633 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.360 -8.291 -5.143 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.298 -6.514 -3.509 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.916 -6.912 -1.887 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.377 -7.607 -2.449 1.00 0.00 H new ATOM 755 N GLU A 53 -3.953 -8.251 -0.271 1.00 0.00 N ATOM 756 CA GLU A 53 -4.426 -7.631 0.994 1.00 0.00 C ATOM 757 C GLU A 53 -4.243 -6.113 0.915 1.00 0.00 C ATOM 758 O GLU A 53 -3.184 -5.591 1.198 1.00 0.00 O ATOM 759 CB GLU A 53 -3.622 -8.188 2.173 1.00 0.00 C ATOM 760 CG GLU A 53 -2.154 -7.781 2.036 1.00 0.00 C ATOM 761 CD GLU A 53 -1.263 -9.010 2.221 1.00 0.00 C ATOM 762 OE1 GLU A 53 -1.736 -9.980 2.789 1.00 0.00 O ATOM 763 OE2 GLU A 53 -0.121 -8.960 1.794 1.00 0.00 O ATOM 0 H GLU A 53 -2.983 -8.053 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.481 -7.862 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.027 -7.811 3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.707 -9.274 2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.979 -7.336 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.905 -7.023 2.779 1.00 0.00 H new ATOM 770 N ILE A 54 -5.267 -5.397 0.532 1.00 0.00 N ATOM 771 CA ILE A 54 -5.134 -3.916 0.442 1.00 0.00 C ATOM 772 C ILE A 54 -5.769 -3.274 1.677 1.00 0.00 C ATOM 773 O ILE A 54 -6.517 -3.904 2.399 1.00 0.00 O ATOM 774 CB ILE A 54 -5.808 -3.404 -0.847 1.00 0.00 C ATOM 775 CG1 ILE A 54 -5.097 -2.131 -1.311 1.00 0.00 C ATOM 776 CG2 ILE A 54 -7.295 -3.099 -0.621 1.00 0.00 C ATOM 777 CD1 ILE A 54 -5.505 -1.815 -2.752 1.00 0.00 C ATOM 0 H ILE A 54 -6.182 -5.771 0.280 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.079 -3.644 0.406 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.733 -4.183 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.356 -1.298 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.017 -2.261 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.738 -2.740 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.808 -4.006 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.397 -2.334 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.999 -0.908 -3.083 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.224 -2.645 -3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.584 -1.667 -2.800 1.00 0.00 H new ATOM 789 N LYS A 55 -5.477 -2.031 1.927 1.00 0.00 N ATOM 790 CA LYS A 55 -6.068 -1.361 3.116 1.00 0.00 C ATOM 791 C LYS A 55 -6.074 0.150 2.903 1.00 0.00 C ATOM 792 O LYS A 55 -5.770 0.642 1.832 1.00 0.00 O ATOM 793 CB LYS A 55 -5.241 -1.702 4.359 1.00 0.00 C ATOM 794 CG LYS A 55 -5.719 -3.034 4.940 1.00 0.00 C ATOM 795 CD LYS A 55 -5.655 -2.978 6.468 1.00 0.00 C ATOM 796 CE LYS A 55 -7.015 -3.366 7.050 1.00 0.00 C ATOM 797 NZ LYS A 55 -6.967 -4.778 7.526 1.00 0.00 N ATOM 0 H LYS A 55 -4.857 -1.451 1.362 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.092 -1.709 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.184 -1.764 4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.341 -0.912 5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.739 -3.239 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.097 -3.849 4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.884 -3.655 6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.381 -1.975 6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.273 -2.701 7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.792 -3.252 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.892 -5.042 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.739 -5.406 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.236 -4.872 8.260 1.00 0.00 H new ATOM 811 N CYS A 56 -6.421 0.891 3.919 1.00 0.00 N ATOM 812 CA CYS A 56 -6.460 2.374 3.787 1.00 0.00 C ATOM 813 C CYS A 56 -5.215 2.962 4.448 1.00 0.00 C ATOM 814 O CYS A 56 -4.736 2.461 5.446 1.00 0.00 O ATOM 815 CB CYS A 56 -7.713 2.934 4.481 1.00 0.00 C ATOM 816 SG CYS A 56 -8.988 1.651 4.623 1.00 0.00 S ATOM 0 H CYS A 56 -6.680 0.532 4.838 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.489 2.642 2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.452 3.306 5.472 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.102 3.780 3.915 1.00 0.00 H new ATOM 821 N CYS A 57 -4.678 4.014 3.896 1.00 0.00 N ATOM 822 CA CYS A 57 -3.455 4.615 4.494 1.00 0.00 C ATOM 823 C CYS A 57 -3.247 6.023 3.941 1.00 0.00 C ATOM 824 O CYS A 57 -3.601 6.329 2.822 1.00 0.00 O ATOM 825 CB CYS A 57 -2.250 3.742 4.137 1.00 0.00 C ATOM 826 SG CYS A 57 -0.716 4.590 4.587 1.00 0.00 S ATOM 0 H CYS A 57 -5.031 4.481 3.061 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.566 4.672 5.577 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.314 2.788 4.660 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.254 3.522 3.070 1.00 0.00 H new ATOM 831 N SER A 58 -2.675 6.890 4.717 1.00 0.00 N ATOM 832 CA SER A 58 -2.446 8.268 4.215 1.00 0.00 C ATOM 833 C SER A 58 -1.125 8.811 4.748 1.00 0.00 C ATOM 834 O SER A 58 -0.724 9.914 4.429 1.00 0.00 O ATOM 835 CB SER A 58 -3.594 9.176 4.655 1.00 0.00 C ATOM 836 OG SER A 58 -3.409 9.542 6.016 1.00 0.00 O ATOM 0 H SER A 58 -2.358 6.709 5.669 1.00 0.00 H new ATOM 0 HA SER A 58 -2.403 8.244 3.126 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.629 10.067 4.028 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.547 8.662 4.531 1.00 0.00 H new ATOM 0 HG SER A 58 -4.143 10.126 6.300 1.00 0.00 H new ATOM 842 N ALA A 59 -0.439 8.055 5.550 1.00 0.00 N ATOM 843 CA ALA A 59 0.860 8.547 6.088 1.00 0.00 C ATOM 844 C ALA A 59 1.651 7.368 6.657 1.00 0.00 C ATOM 845 O ALA A 59 2.060 6.478 5.938 1.00 0.00 O ATOM 846 CB ALA A 59 0.591 9.586 7.178 1.00 0.00 C ATOM 0 H ALA A 59 -0.716 7.123 5.857 1.00 0.00 H new ATOM 0 HA ALA A 59 1.443 9.011 5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.538 9.950 7.576 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.031 10.420 6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.012 9.130 7.981 1.00 0.00 H new ATOM 852 N ASP A 60 1.843 7.336 7.951 1.00 0.00 N ATOM 853 CA ASP A 60 2.570 6.201 8.566 1.00 0.00 C ATOM 854 C ASP A 60 1.528 5.214 9.068 1.00 0.00 C ATOM 855 O ASP A 60 1.697 4.553 10.073 1.00 0.00 O ATOM 856 CB ASP A 60 3.425 6.697 9.735 1.00 0.00 C ATOM 857 CG ASP A 60 4.376 5.585 10.180 1.00 0.00 C ATOM 858 OD1 ASP A 60 3.911 4.659 10.824 1.00 0.00 O ATOM 859 OD2 ASP A 60 5.551 5.678 9.868 1.00 0.00 O ATOM 0 H ASP A 60 1.524 8.052 8.604 1.00 0.00 H new ATOM 0 HA ASP A 60 3.231 5.729 7.839 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.993 7.578 9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.786 6.997 10.565 1.00 0.00 H new ATOM 864 N LYS A 61 0.440 5.124 8.358 1.00 0.00 N ATOM 865 CA LYS A 61 -0.646 4.200 8.753 1.00 0.00 C ATOM 866 C LYS A 61 -0.693 3.038 7.762 1.00 0.00 C ATOM 867 O LYS A 61 -1.483 2.124 7.895 1.00 0.00 O ATOM 868 CB LYS A 61 -1.984 4.949 8.737 1.00 0.00 C ATOM 869 CG LYS A 61 -3.140 3.945 8.733 1.00 0.00 C ATOM 870 CD LYS A 61 -4.466 4.690 8.896 1.00 0.00 C ATOM 871 CE LYS A 61 -5.284 4.036 10.011 1.00 0.00 C ATOM 872 NZ LYS A 61 -5.990 5.091 10.793 1.00 0.00 N ATOM 0 H LYS A 61 0.259 5.661 7.510 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.462 3.818 9.757 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.058 5.599 9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.043 5.589 7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.141 3.380 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.013 3.226 9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.280 5.738 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.025 4.669 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.006 3.339 9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.631 3.459 10.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.546 4.647 11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.292 5.740 11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.625 5.623 10.164 1.00 0.00 H new ATOM 886 N CYS A 62 0.146 3.069 6.765 1.00 0.00 N ATOM 887 CA CYS A 62 0.147 1.973 5.763 1.00 0.00 C ATOM 888 C CYS A 62 0.427 0.644 6.469 1.00 0.00 C ATOM 889 O CYS A 62 -0.074 -0.392 6.083 1.00 0.00 O ATOM 890 CB CYS A 62 1.233 2.233 4.715 1.00 0.00 C ATOM 891 SG CYS A 62 0.726 3.572 3.596 1.00 0.00 S ATOM 0 H CYS A 62 0.831 3.807 6.602 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.825 1.930 5.271 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.168 2.498 5.209 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.421 1.324 4.143 1.00 0.00 H new ATOM 896 N ASN A 63 1.227 0.669 7.499 1.00 0.00 N ATOM 897 CA ASN A 63 1.542 -0.589 8.228 1.00 0.00 C ATOM 898 C ASN A 63 0.688 -0.681 9.496 1.00 0.00 C ATOM 899 O ASN A 63 0.537 -1.737 10.076 1.00 0.00 O ATOM 900 CB ASN A 63 3.024 -0.598 8.609 1.00 0.00 C ATOM 901 CG ASN A 63 3.435 0.794 9.093 1.00 0.00 C ATOM 902 OD1 ASN A 63 2.790 1.368 9.948 1.00 0.00 O ATOM 903 ND2 ASN A 63 4.489 1.365 8.579 1.00 0.00 N ATOM 0 H ASN A 63 1.676 1.508 7.867 1.00 0.00 H new ATOM 0 HA ASN A 63 1.324 -1.442 7.586 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.205 -1.335 9.392 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.629 -0.890 7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.771 2.293 8.895 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.031 0.884 7.861 1.00 0.00 H new ATOM 910 N THR A 64 0.128 0.416 9.931 1.00 0.00 N ATOM 911 CA THR A 64 -0.714 0.385 11.159 1.00 0.00 C ATOM 912 C THR A 64 0.072 -0.248 12.310 1.00 0.00 C ATOM 913 O THR A 64 0.199 -1.453 12.398 1.00 0.00 O ATOM 914 CB THR A 64 -1.973 -0.429 10.893 1.00 0.00 C ATOM 915 OG1 THR A 64 -1.878 -1.051 9.619 1.00 0.00 O ATOM 916 CG2 THR A 64 -3.167 0.517 10.921 1.00 0.00 C ATOM 0 H THR A 64 0.218 1.331 9.489 1.00 0.00 H new ATOM 0 HA THR A 64 -0.991 1.404 11.431 1.00 0.00 H new ATOM 0 HB THR A 64 -2.092 -1.203 11.651 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.688 -1.576 9.450 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.081 -0.046 10.732 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.230 0.995 11.899 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.045 1.280 10.152 1.00 0.00 H new