USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 581 hydrogens (2 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 NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 102 CUCU :(H bumps) USER MOD Set 1.1: A 28 MET CE :methyl -140:sc= -0.434 (180deg=-2.94!) USER MOD Set 1.2: A 38 MET CE :methyl -141:sc= -0.0646 (180deg=-1.76) USER MOD Set 2.1: A 37 ASN : amide:sc= -4.12! C(o=-7.7!,f=-2.8!) USER MOD Set 2.2: A 57 ASN : amide:sc= -3.55! K(o=-7.7!,f=-2.8) USER MOD Single : A 1 VAL N :NH3+ 178:sc= -1.14 (180deg=-1.15) USER MOD Single : A 3 MET CE :methyl 169:sc= -1.16 (180deg=-1.23) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 10 TYR OH : rot -15:sc= -0.0274 USER MOD Single : A 13 GLN : amide:sc= -5.96! K(o=-6!,f=-2.5) USER MOD Single : A 16 SER OG : rot 99:sc= 0.934 USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= -5.26! (180deg=-7.24!) USER MOD Single : A 19 HIS : no HE2:sc= -5.78! C(o=-5.8!,f=-8.8!) USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= -0.033 (180deg=-0.427) USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.1) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.79 K(o=-3.8,f=-13!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -172:sc= 1.01 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0997) USER MOD Single : A 44 MET CE :methyl 146:sc= -0.54 (180deg=-3.68) USER MOD Single : A 46 THR OG1 : rot 160:sc= -0.103 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -109:sc= -2.16 (180deg=-4.68!) USER MOD Single : A 54 MET CE :methyl -163:sc= -2.93 (180deg=-3.32) USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= -0.257 (180deg=-1.44!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.857 13.016 -9.963 1.00 0.00 N ATOM 2 CA VAL A 1 -0.830 11.856 -9.019 1.00 0.00 C ATOM 3 C VAL A 1 -1.512 12.240 -7.712 1.00 0.00 C ATOM 4 O VAL A 1 -1.094 11.817 -6.633 1.00 0.00 O ATOM 5 CB VAL A 1 0.618 11.415 -8.762 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.276 11.038 -10.089 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.419 12.549 -8.108 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.361 12.761 -10.841 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.843 13.263 -10.182 1.00 0.00 H new ATOM 0 H3 VAL A 1 -0.385 13.832 -9.524 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.369 11.020 -9.464 1.00 0.00 H new ATOM 0 HB VAL A 1 0.608 10.556 -8.091 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.304 10.725 -9.909 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.723 10.220 -10.550 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.271 11.900 -10.756 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.443 12.218 -7.934 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.426 13.417 -8.767 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.958 12.819 -7.158 1.00 0.00 H new ATOM 18 N ASP A 2 -2.563 13.045 -7.816 1.00 0.00 N ATOM 19 CA ASP A 2 -3.292 13.487 -6.635 1.00 0.00 C ATOM 20 C ASP A 2 -4.517 14.306 -7.038 1.00 0.00 C ATOM 21 O ASP A 2 -5.510 14.353 -6.314 1.00 0.00 O ATOM 22 CB ASP A 2 -2.369 14.327 -5.745 1.00 0.00 C ATOM 23 CG ASP A 2 -1.514 15.249 -6.611 1.00 0.00 C ATOM 24 OD1 ASP A 2 -0.877 14.748 -7.526 1.00 0.00 O ATOM 25 OD2 ASP A 2 -1.509 16.439 -6.347 1.00 0.00 O ATOM 0 H ASP A 2 -2.927 13.402 -8.699 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.629 12.611 -6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.961 14.916 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.729 13.675 -5.151 1.00 0.00 H new ATOM 30 N MET A 3 -4.436 14.949 -8.199 1.00 0.00 N ATOM 31 CA MET A 3 -5.542 15.762 -8.690 1.00 0.00 C ATOM 32 C MET A 3 -6.728 14.882 -9.068 1.00 0.00 C ATOM 33 O MET A 3 -7.862 15.145 -8.666 1.00 0.00 O ATOM 34 CB MET A 3 -5.096 16.572 -9.908 1.00 0.00 C ATOM 35 CG MET A 3 -4.018 17.574 -9.490 1.00 0.00 C ATOM 36 SD MET A 3 -2.490 16.687 -9.098 1.00 0.00 S ATOM 37 CE MET A 3 -1.524 18.123 -8.570 1.00 0.00 C ATOM 0 H MET A 3 -3.622 14.923 -8.813 1.00 0.00 H new ATOM 0 HA MET A 3 -5.848 16.442 -7.895 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.708 15.906 -10.679 1.00 0.00 H new ATOM 0 HB3 MET A 3 -5.948 17.098 -10.340 1.00 0.00 H new ATOM 0 HG2 MET A 3 -3.840 18.289 -10.293 1.00 0.00 H new ATOM 0 HG3 MET A 3 -4.353 18.144 -8.623 1.00 0.00 H new ATOM 0 HE1 MET A 3 -0.602 17.787 -8.097 1.00 0.00 H new ATOM 0 HE2 MET A 3 -1.284 18.739 -9.437 1.00 0.00 H new ATOM 0 HE3 MET A 3 -2.104 18.710 -7.858 1.00 0.00 H new ATOM 47 N SER A 4 -6.459 13.836 -9.841 1.00 0.00 N ATOM 48 CA SER A 4 -7.513 12.922 -10.269 1.00 0.00 C ATOM 49 C SER A 4 -8.128 12.214 -9.066 1.00 0.00 C ATOM 50 O SER A 4 -9.072 11.437 -9.206 1.00 0.00 O ATOM 51 CB SER A 4 -6.944 11.885 -11.238 1.00 0.00 C ATOM 52 OG SER A 4 -6.451 12.546 -12.395 1.00 0.00 O ATOM 0 H SER A 4 -5.527 13.600 -10.182 1.00 0.00 H new ATOM 0 HA SER A 4 -8.288 13.501 -10.772 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.144 11.322 -10.758 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.716 11.168 -11.516 1.00 0.00 H new ATOM 0 HG SER A 4 -6.084 11.885 -13.018 1.00 0.00 H new ATOM 58 N ASN A 5 -7.583 12.488 -7.884 1.00 0.00 N ATOM 59 CA ASN A 5 -8.086 11.871 -6.661 1.00 0.00 C ATOM 60 C ASN A 5 -8.034 10.350 -6.766 1.00 0.00 C ATOM 61 O ASN A 5 -8.557 9.641 -5.908 1.00 0.00 O ATOM 62 CB ASN A 5 -9.526 12.318 -6.403 1.00 0.00 C ATOM 63 CG ASN A 5 -9.607 13.841 -6.406 1.00 0.00 C ATOM 64 OD1 ASN A 5 -8.674 14.513 -5.963 1.00 0.00 O ATOM 65 ND2 ASN A 5 -10.671 14.429 -6.878 1.00 0.00 N ATOM 0 H ASN A 5 -6.800 13.127 -7.747 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.454 12.188 -5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.185 11.909 -7.169 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.870 11.929 -5.445 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.732 15.447 -6.881 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.442 13.871 -7.244 1.00 0.00 H new ATOM 72 N VAL A 6 -7.398 9.857 -7.824 1.00 0.00 N ATOM 73 CA VAL A 6 -7.282 8.418 -8.030 1.00 0.00 C ATOM 74 C VAL A 6 -6.340 7.803 -6.999 1.00 0.00 C ATOM 75 O VAL A 6 -5.291 8.368 -6.690 1.00 0.00 O ATOM 76 CB VAL A 6 -6.756 8.133 -9.438 1.00 0.00 C ATOM 77 CG1 VAL A 6 -5.332 8.676 -9.570 1.00 0.00 C ATOM 78 CG2 VAL A 6 -6.749 6.621 -9.681 1.00 0.00 C ATOM 0 H VAL A 6 -6.958 10.427 -8.546 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.270 7.973 -7.914 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.399 8.618 -10.172 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.957 8.473 -10.573 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.335 9.752 -9.394 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.688 8.191 -8.837 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.375 6.415 -10.684 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.105 6.137 -8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.763 6.232 -9.586 1.00 0.00 H new ATOM 88 N VAL A 7 -6.723 6.647 -6.470 1.00 0.00 N ATOM 89 CA VAL A 7 -5.904 5.966 -5.473 1.00 0.00 C ATOM 90 C VAL A 7 -6.408 4.545 -5.242 1.00 0.00 C ATOM 91 O VAL A 7 -7.595 4.263 -5.404 1.00 0.00 O ATOM 92 CB VAL A 7 -5.935 6.740 -4.154 1.00 0.00 C ATOM 93 CG1 VAL A 7 -7.380 6.855 -3.664 1.00 0.00 C ATOM 94 CG2 VAL A 7 -5.100 5.998 -3.109 1.00 0.00 C ATOM 0 H VAL A 7 -7.588 6.164 -6.712 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.880 5.920 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.523 7.737 -4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.403 7.406 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.976 7.383 -4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.792 5.858 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.121 6.549 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.512 5.001 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.071 5.915 -3.458 1.00 0.00 H new ATOM 104 N LYS A 8 -5.495 3.652 -4.862 1.00 0.00 N ATOM 105 CA LYS A 8 -5.846 2.254 -4.605 1.00 0.00 C ATOM 106 C LYS A 8 -6.017 2.018 -3.107 1.00 0.00 C ATOM 107 O LYS A 8 -5.272 2.570 -2.298 1.00 0.00 O ATOM 108 CB LYS A 8 -4.742 1.336 -5.156 1.00 0.00 C ATOM 109 CG LYS A 8 -5.294 -0.085 -5.380 1.00 0.00 C ATOM 110 CD LYS A 8 -5.961 -0.193 -6.767 1.00 0.00 C ATOM 111 CE LYS A 8 -4.916 -0.544 -7.831 1.00 0.00 C ATOM 112 NZ LYS A 8 -5.517 -0.394 -9.187 1.00 0.00 N ATOM 0 H LYS A 8 -4.508 3.870 -4.725 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.788 2.027 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.360 1.738 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.905 1.303 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.486 -0.812 -5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.018 -0.327 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.739 -0.956 -6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.446 0.750 -7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.048 0.108 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.565 -1.566 -7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.808 -0.632 -9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.332 -1.033 -9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.831 0.588 -9.321 1.00 0.00 H new ATOM 126 N THR A 9 -7.006 1.204 -2.739 1.00 0.00 N ATOM 127 CA THR A 9 -7.258 0.921 -1.327 1.00 0.00 C ATOM 128 C THR A 9 -7.944 -0.430 -1.136 1.00 0.00 C ATOM 129 O THR A 9 -9.013 -0.681 -1.695 1.00 0.00 O ATOM 130 CB THR A 9 -8.139 2.024 -0.732 1.00 0.00 C ATOM 131 OG1 THR A 9 -7.536 3.288 -0.972 1.00 0.00 O ATOM 132 CG2 THR A 9 -8.287 1.804 0.773 1.00 0.00 C ATOM 0 H THR A 9 -7.637 0.735 -3.388 1.00 0.00 H new ATOM 0 HA THR A 9 -6.296 0.888 -0.816 1.00 0.00 H new ATOM 0 HB THR A 9 -9.124 1.996 -1.198 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.098 3.996 -0.594 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.914 2.589 1.196 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.749 0.834 0.955 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.304 1.832 1.243 1.00 0.00 H new ATOM 140 N TYR A 10 -7.331 -1.292 -0.321 1.00 0.00 N ATOM 141 CA TYR A 10 -7.891 -2.614 -0.026 1.00 0.00 C ATOM 142 C TYR A 10 -8.226 -2.707 1.460 1.00 0.00 C ATOM 143 O TYR A 10 -7.386 -3.096 2.270 1.00 0.00 O ATOM 144 CB TYR A 10 -6.890 -3.727 -0.364 1.00 0.00 C ATOM 145 CG TYR A 10 -6.304 -3.586 -1.758 1.00 0.00 C ATOM 146 CD1 TYR A 10 -7.038 -3.010 -2.812 1.00 0.00 C ATOM 147 CD2 TYR A 10 -5.008 -4.067 -1.999 1.00 0.00 C ATOM 148 CE1 TYR A 10 -6.471 -2.917 -4.088 1.00 0.00 C ATOM 149 CE2 TYR A 10 -4.449 -3.974 -3.277 1.00 0.00 C ATOM 150 CZ TYR A 10 -5.179 -3.398 -4.321 1.00 0.00 C ATOM 151 OH TYR A 10 -4.625 -3.306 -5.582 1.00 0.00 O ATOM 0 H TYR A 10 -6.446 -1.098 0.147 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.787 -2.741 -0.633 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -6.082 -3.718 0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.386 -4.694 -0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.037 -2.640 -2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.440 -4.511 -1.194 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.033 -2.472 -4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.452 -4.348 -3.458 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.329 -3.111 -6.235 1.00 0.00 H new ATOM 161 N ASP A 11 -9.458 -2.352 1.814 1.00 0.00 N ATOM 162 CA ASP A 11 -9.882 -2.410 3.207 1.00 0.00 C ATOM 163 C ASP A 11 -9.657 -3.808 3.768 1.00 0.00 C ATOM 164 O ASP A 11 -10.481 -4.703 3.581 1.00 0.00 O ATOM 165 CB ASP A 11 -11.360 -2.043 3.319 1.00 0.00 C ATOM 166 CG ASP A 11 -11.551 -0.555 3.049 1.00 0.00 C ATOM 167 OD1 ASP A 11 -11.389 0.221 3.976 1.00 0.00 O ATOM 168 OD2 ASP A 11 -11.857 -0.212 1.919 1.00 0.00 O ATOM 0 H ASP A 11 -10.172 -2.025 1.163 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.291 -1.697 3.782 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.943 -2.628 2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.730 -2.291 4.314 1.00 0.00 H new ATOM 173 N LEU A 12 -8.529 -3.990 4.446 1.00 0.00 N ATOM 174 CA LEU A 12 -8.190 -5.287 5.021 1.00 0.00 C ATOM 175 C LEU A 12 -9.208 -5.689 6.089 1.00 0.00 C ATOM 176 O LEU A 12 -9.988 -4.865 6.565 1.00 0.00 O ATOM 177 CB LEU A 12 -6.761 -5.231 5.621 1.00 0.00 C ATOM 178 CG LEU A 12 -5.837 -6.257 4.938 1.00 0.00 C ATOM 179 CD1 LEU A 12 -5.781 -6.013 3.411 1.00 0.00 C ATOM 180 CD2 LEU A 12 -4.433 -6.135 5.536 1.00 0.00 C ATOM 0 H LEU A 12 -7.836 -3.259 4.611 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.217 -6.041 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.350 -4.229 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.804 -5.430 6.692 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.229 -7.260 5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.123 -6.749 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.782 -6.107 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.398 -5.011 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.770 -6.857 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.052 -5.128 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.475 -6.333 6.607 1.00 0.00 H new ATOM 192 N GLN A 13 -9.184 -6.967 6.454 1.00 0.00 N ATOM 193 CA GLN A 13 -10.102 -7.481 7.464 1.00 0.00 C ATOM 194 C GLN A 13 -9.620 -7.118 8.866 1.00 0.00 C ATOM 195 O GLN A 13 -10.368 -7.227 9.837 1.00 0.00 O ATOM 196 CB GLN A 13 -10.217 -9.001 7.340 1.00 0.00 C ATOM 197 CG GLN A 13 -8.831 -9.629 7.485 1.00 0.00 C ATOM 198 CD GLN A 13 -8.919 -11.138 7.287 1.00 0.00 C ATOM 199 OE1 GLN A 13 -8.202 -11.896 7.944 1.00 0.00 O ATOM 200 NE2 GLN A 13 -9.761 -11.626 6.417 1.00 0.00 N ATOM 0 H GLN A 13 -8.544 -7.661 6.069 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.080 -7.027 7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.886 -9.390 8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.649 -9.266 6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.149 -9.197 6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.423 -9.406 8.471 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.354 -10.999 5.874 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.826 -12.635 6.281 1.00 0.00 H new ATOM 209 N ASP A 14 -8.361 -6.691 8.965 1.00 0.00 N ATOM 210 CA ASP A 14 -7.779 -6.316 10.257 1.00 0.00 C ATOM 211 C ASP A 14 -7.839 -4.803 10.455 1.00 0.00 C ATOM 212 O ASP A 14 -7.119 -4.248 11.284 1.00 0.00 O ATOM 213 CB ASP A 14 -6.322 -6.793 10.323 1.00 0.00 C ATOM 214 CG ASP A 14 -5.642 -6.568 8.978 1.00 0.00 C ATOM 215 OD1 ASP A 14 -6.005 -7.249 8.034 1.00 0.00 O ATOM 216 OD2 ASP A 14 -4.768 -5.719 8.913 1.00 0.00 O ATOM 0 H ASP A 14 -7.727 -6.596 8.172 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.354 -6.791 11.051 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.788 -6.253 11.105 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.288 -7.850 10.585 1.00 0.00 H new ATOM 221 N GLY A 15 -8.705 -4.144 9.694 1.00 0.00 N ATOM 222 CA GLY A 15 -8.853 -2.697 9.799 1.00 0.00 C ATOM 223 C GLY A 15 -7.754 -1.971 9.029 1.00 0.00 C ATOM 224 O GLY A 15 -7.892 -0.795 8.695 1.00 0.00 O ATOM 0 H GLY A 15 -9.311 -4.584 9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.828 -2.400 9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.822 -2.401 10.848 1.00 0.00 H new ATOM 228 N SER A 16 -6.665 -2.679 8.748 1.00 0.00 N ATOM 229 CA SER A 16 -5.552 -2.087 8.015 1.00 0.00 C ATOM 230 C SER A 16 -5.993 -1.691 6.610 1.00 0.00 C ATOM 231 O SER A 16 -7.056 -2.104 6.145 1.00 0.00 O ATOM 232 CB SER A 16 -4.393 -3.077 7.929 1.00 0.00 C ATOM 233 OG SER A 16 -4.030 -3.490 9.240 1.00 0.00 O ATOM 0 H SER A 16 -6.530 -3.654 9.014 1.00 0.00 H new ATOM 0 HA SER A 16 -5.223 -1.195 8.548 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.681 -3.941 7.330 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.540 -2.614 7.432 1.00 0.00 H new ATOM 0 HG SER A 16 -4.433 -4.363 9.431 1.00 0.00 H new ATOM 239 N LYS A 17 -5.173 -0.883 5.934 1.00 0.00 N ATOM 240 CA LYS A 17 -5.490 -0.431 4.577 1.00 0.00 C ATOM 241 C LYS A 17 -4.257 -0.508 3.679 1.00 0.00 C ATOM 242 O LYS A 17 -3.226 0.096 3.970 1.00 0.00 O ATOM 243 CB LYS A 17 -5.991 1.017 4.608 1.00 0.00 C ATOM 244 CG LYS A 17 -7.164 1.145 5.585 1.00 0.00 C ATOM 245 CD LYS A 17 -7.535 2.621 5.760 1.00 0.00 C ATOM 246 CE LYS A 17 -7.878 3.242 4.402 1.00 0.00 C ATOM 247 NZ LYS A 17 -8.625 2.255 3.574 1.00 0.00 N ATOM 0 H LYS A 17 -4.289 -0.530 6.301 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.266 -1.084 4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.183 1.684 4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.303 1.324 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.023 0.587 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.896 0.711 6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.385 2.713 6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.705 3.161 6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.478 4.141 4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.965 3.545 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.196 2.758 2.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.952 1.625 3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.250 1.692 4.185 1.00 0.00 H new ATOM 261 N VAL A 18 -4.377 -1.250 2.580 1.00 0.00 N ATOM 262 CA VAL A 18 -3.272 -1.397 1.633 1.00 0.00 C ATOM 263 C VAL A 18 -3.306 -0.257 0.615 1.00 0.00 C ATOM 264 O VAL A 18 -4.369 0.274 0.306 1.00 0.00 O ATOM 265 CB VAL A 18 -3.378 -2.736 0.870 1.00 0.00 C ATOM 266 CG1 VAL A 18 -2.002 -3.137 0.325 1.00 0.00 C ATOM 267 CG2 VAL A 18 -3.898 -3.854 1.787 1.00 0.00 C ATOM 0 H VAL A 18 -5.224 -1.757 2.323 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.340 -1.374 2.197 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.080 -2.599 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.085 -4.082 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.640 -2.365 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.302 -3.250 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.963 -4.785 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.214 -3.984 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.886 -3.587 2.162 1.00 0.00 H new ATOM 277 N HIS A 19 -2.142 0.097 0.079 1.00 0.00 N ATOM 278 CA HIS A 19 -2.056 1.156 -0.933 1.00 0.00 C ATOM 279 C HIS A 19 -0.992 0.783 -1.960 1.00 0.00 C ATOM 280 O HIS A 19 0.186 0.652 -1.623 1.00 0.00 O ATOM 281 CB HIS A 19 -1.727 2.527 -0.275 1.00 0.00 C ATOM 282 CG HIS A 19 -1.430 2.344 1.190 1.00 0.00 C ATOM 283 ND1 HIS A 19 -2.413 2.452 2.159 1.00 0.00 N ATOM 284 CD2 HIS A 19 -0.267 2.058 1.866 1.00 0.00 C ATOM 285 CE1 HIS A 19 -1.834 2.235 3.353 1.00 0.00 C ATOM 286 NE2 HIS A 19 -0.527 1.989 3.230 1.00 0.00 N ATOM 0 H HIS A 19 -1.248 -0.328 0.324 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.021 1.253 -1.431 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.870 2.981 -0.773 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.567 3.210 -0.400 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -3.398 2.659 1.996 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.700 1.910 1.408 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.361 2.257 4.295 1.00 0.00 H new ATOM 295 N VAL A 20 -1.414 0.599 -3.212 1.00 0.00 N ATOM 296 CA VAL A 20 -0.489 0.227 -4.285 1.00 0.00 C ATOM 297 C VAL A 20 -0.246 1.411 -5.223 1.00 0.00 C ATOM 298 O VAL A 20 -1.169 2.157 -5.553 1.00 0.00 O ATOM 299 CB VAL A 20 -1.042 -1.005 -5.040 1.00 0.00 C ATOM 300 CG1 VAL A 20 -1.872 -1.860 -4.067 1.00 0.00 C ATOM 301 CG2 VAL A 20 -1.912 -0.584 -6.238 1.00 0.00 C ATOM 0 H VAL A 20 -2.385 0.701 -3.508 1.00 0.00 H new ATOM 0 HA VAL A 20 0.476 -0.042 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.202 -1.583 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.265 -2.730 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.240 -2.189 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.699 -1.267 -3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.285 -1.473 -6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.754 0.012 -5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.314 0.007 -6.932 1.00 0.00 H new ATOM 311 N PHE A 21 1.008 1.587 -5.630 1.00 0.00 N ATOM 312 CA PHE A 21 1.379 2.692 -6.513 1.00 0.00 C ATOM 313 C PHE A 21 1.234 2.301 -7.979 1.00 0.00 C ATOM 314 O PHE A 21 0.995 1.137 -8.302 1.00 0.00 O ATOM 315 CB PHE A 21 2.825 3.104 -6.231 1.00 0.00 C ATOM 316 CG PHE A 21 2.914 3.677 -4.835 1.00 0.00 C ATOM 317 CD1 PHE A 21 2.795 2.830 -3.725 1.00 0.00 C ATOM 318 CD2 PHE A 21 3.110 5.051 -4.650 1.00 0.00 C ATOM 319 CE1 PHE A 21 2.874 3.359 -2.431 1.00 0.00 C ATOM 320 CE2 PHE A 21 3.188 5.579 -3.355 1.00 0.00 C ATOM 321 CZ PHE A 21 3.071 4.733 -2.246 1.00 0.00 C ATOM 0 H PHE A 21 1.784 0.981 -5.364 1.00 0.00 H new ATOM 0 HA PHE A 21 0.708 3.528 -6.318 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.487 2.243 -6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.155 3.842 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.643 1.770 -3.867 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.201 5.704 -5.506 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.783 2.707 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.338 6.639 -3.212 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.133 5.140 -1.248 1.00 0.00 H new ATOM 331 N LYS A 22 1.383 3.286 -8.861 1.00 0.00 N ATOM 332 CA LYS A 22 1.268 3.042 -10.295 1.00 0.00 C ATOM 333 C LYS A 22 2.236 1.949 -10.734 1.00 0.00 C ATOM 334 O LYS A 22 2.054 1.330 -11.780 1.00 0.00 O ATOM 335 CB LYS A 22 1.566 4.328 -11.068 1.00 0.00 C ATOM 336 CG LYS A 22 1.285 4.107 -12.555 1.00 0.00 C ATOM 337 CD LYS A 22 1.361 5.443 -13.296 1.00 0.00 C ATOM 338 CE LYS A 22 1.094 5.220 -14.785 1.00 0.00 C ATOM 339 NZ LYS A 22 -0.310 4.754 -14.973 1.00 0.00 N ATOM 0 H LYS A 22 1.582 4.254 -8.610 1.00 0.00 H new ATOM 0 HA LYS A 22 0.250 2.716 -10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.951 5.144 -10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.606 4.619 -10.923 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.009 3.407 -12.972 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.299 3.662 -12.687 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.630 6.140 -12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.344 5.893 -13.156 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.259 6.145 -15.338 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.790 4.482 -15.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.597 4.907 -15.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.373 3.741 -14.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.941 5.289 -14.342 1.00 0.00 H new ATOM 353 N ASP A 23 3.262 1.713 -9.923 1.00 0.00 N ATOM 354 CA ASP A 23 4.248 0.687 -10.238 1.00 0.00 C ATOM 355 C ASP A 23 3.684 -0.693 -9.921 1.00 0.00 C ATOM 356 O ASP A 23 4.405 -1.691 -9.936 1.00 0.00 O ATOM 357 CB ASP A 23 5.525 0.920 -9.428 1.00 0.00 C ATOM 358 CG ASP A 23 6.103 2.293 -9.750 1.00 0.00 C ATOM 359 OD1 ASP A 23 5.519 3.276 -9.322 1.00 0.00 O ATOM 360 OD2 ASP A 23 7.120 2.343 -10.421 1.00 0.00 O ATOM 0 H ASP A 23 3.431 2.213 -9.050 1.00 0.00 H new ATOM 0 HA ASP A 23 4.484 0.742 -11.301 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.308 0.849 -8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.257 0.145 -9.657 1.00 0.00 H new ATOM 365 N GLY A 24 2.387 -0.735 -9.636 1.00 0.00 N ATOM 366 CA GLY A 24 1.721 -1.991 -9.317 1.00 0.00 C ATOM 367 C GLY A 24 2.182 -2.528 -7.967 1.00 0.00 C ATOM 368 O GLY A 24 1.562 -3.433 -7.409 1.00 0.00 O ATOM 0 H GLY A 24 1.778 0.083 -9.619 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.642 -1.841 -9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.930 -2.725 -10.095 1.00 0.00 H new ATOM 372 N LYS A 25 3.263 -1.962 -7.438 1.00 0.00 N ATOM 373 CA LYS A 25 3.769 -2.402 -6.145 1.00 0.00 C ATOM 374 C LYS A 25 2.724 -2.097 -5.080 1.00 0.00 C ATOM 375 O LYS A 25 2.024 -1.095 -5.173 1.00 0.00 O ATOM 376 CB LYS A 25 5.074 -1.657 -5.830 1.00 0.00 C ATOM 377 CG LYS A 25 6.186 -2.098 -6.801 1.00 0.00 C ATOM 378 CD LYS A 25 6.902 -3.358 -6.276 1.00 0.00 C ATOM 379 CE LYS A 25 8.011 -2.968 -5.290 1.00 0.00 C ATOM 380 NZ LYS A 25 8.754 -4.190 -4.873 1.00 0.00 N ATOM 0 H LYS A 25 3.796 -1.211 -7.876 1.00 0.00 H new ATOM 0 HA LYS A 25 3.968 -3.473 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.916 -0.582 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.377 -1.858 -4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.759 -2.300 -7.783 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.907 -1.290 -6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.184 -4.015 -5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.327 -3.917 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.692 -2.256 -5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.581 -2.475 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.339 -3.974 -4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.078 -4.943 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.365 -4.507 -5.652 1.00 0.00 H new ATOM 394 N MET A 26 2.617 -2.966 -4.078 1.00 0.00 N ATOM 395 CA MET A 26 1.634 -2.786 -3.009 1.00 0.00 C ATOM 396 C MET A 26 2.207 -1.945 -1.870 1.00 0.00 C ATOM 397 O MET A 26 3.337 -1.462 -1.937 1.00 0.00 O ATOM 398 CB MET A 26 1.193 -4.171 -2.468 1.00 0.00 C ATOM 399 CG MET A 26 -0.163 -4.565 -3.056 1.00 0.00 C ATOM 400 SD MET A 26 -0.482 -6.318 -2.720 1.00 0.00 S ATOM 401 CE MET A 26 -0.710 -6.869 -4.430 1.00 0.00 C ATOM 0 H MET A 26 3.196 -3.800 -3.982 1.00 0.00 H new ATOM 0 HA MET A 26 0.772 -2.260 -3.420 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.940 -4.923 -2.723 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.130 -4.141 -1.380 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.952 -3.951 -2.621 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.172 -4.382 -4.131 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.920 -7.939 -4.443 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.545 -6.330 -4.878 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.197 -6.671 -5.000 1.00 0.00 H new ATOM 411 N GLY A 27 1.405 -1.794 -0.818 1.00 0.00 N ATOM 412 CA GLY A 27 1.806 -1.030 0.361 1.00 0.00 C ATOM 413 C GLY A 27 1.297 -1.718 1.618 1.00 0.00 C ATOM 414 O GLY A 27 0.780 -2.831 1.552 1.00 0.00 O ATOM 0 H GLY A 27 0.468 -2.193 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.892 -0.943 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.407 -0.017 0.303 1.00 0.00 H new ATOM 418 N MET A 28 1.455 -1.071 2.762 1.00 0.00 N ATOM 419 CA MET A 28 1.009 -1.671 4.010 1.00 0.00 C ATOM 420 C MET A 28 1.076 -0.660 5.155 1.00 0.00 C ATOM 421 O MET A 28 2.069 0.048 5.313 1.00 0.00 O ATOM 422 CB MET A 28 1.892 -2.883 4.334 1.00 0.00 C ATOM 423 CG MET A 28 1.166 -3.818 5.298 1.00 0.00 C ATOM 424 SD MET A 28 -0.075 -4.777 4.385 1.00 0.00 S ATOM 425 CE MET A 28 -1.280 -4.931 5.724 1.00 0.00 C ATOM 0 H MET A 28 1.880 -0.148 2.853 1.00 0.00 H new ATOM 0 HA MET A 28 -0.027 -1.989 3.896 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.142 -3.416 3.417 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.831 -2.551 4.776 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.879 -4.488 5.778 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.687 -3.242 6.090 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.708 -5.933 5.715 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.786 -4.756 6.680 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.073 -4.196 5.586 1.00 0.00 H new ATOM 435 N GLU A 29 0.013 -0.609 5.952 1.00 0.00 N ATOM 436 CA GLU A 29 -0.045 0.309 7.087 1.00 0.00 C ATOM 437 C GLU A 29 -1.007 -0.213 8.149 1.00 0.00 C ATOM 438 O GLU A 29 -2.209 -0.321 7.911 1.00 0.00 O ATOM 439 CB GLU A 29 -0.501 1.693 6.622 1.00 0.00 C ATOM 440 CG GLU A 29 -0.237 2.718 7.726 1.00 0.00 C ATOM 441 CD GLU A 29 -0.719 4.096 7.284 1.00 0.00 C ATOM 442 OE1 GLU A 29 -1.902 4.230 7.017 1.00 0.00 O ATOM 443 OE2 GLU A 29 0.102 4.997 7.218 1.00 0.00 O ATOM 0 H GLU A 29 -0.817 -1.190 5.835 1.00 0.00 H new ATOM 0 HA GLU A 29 0.953 0.383 7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.031 1.976 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.563 1.674 6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.750 2.420 8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.828 2.752 7.955 1.00 0.00 H new ATOM 450 N ASN A 30 -0.469 -0.535 9.321 1.00 0.00 N ATOM 451 CA ASN A 30 -1.290 -1.045 10.413 1.00 0.00 C ATOM 452 C ASN A 30 -2.300 0.006 10.860 1.00 0.00 C ATOM 453 O ASN A 30 -2.131 1.196 10.593 1.00 0.00 O ATOM 454 CB ASN A 30 -0.402 -1.437 11.594 1.00 0.00 C ATOM 455 CG ASN A 30 0.524 -0.282 11.956 1.00 0.00 C ATOM 456 OD1 ASN A 30 0.312 0.847 11.514 1.00 0.00 O ATOM 457 ND2 ASN A 30 1.547 -0.497 12.738 1.00 0.00 N ATOM 0 H ASN A 30 0.524 -0.453 9.538 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.830 -1.923 10.058 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.020 -1.701 12.452 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.186 -2.319 11.341 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.172 0.271 12.983 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.722 -1.433 13.104 1.00 0.00 H new ATOM 464 N LYS A 31 -3.351 -0.441 11.540 1.00 0.00 N ATOM 465 CA LYS A 31 -4.383 0.472 12.020 1.00 0.00 C ATOM 466 C LYS A 31 -3.757 1.651 12.758 1.00 0.00 C ATOM 467 O LYS A 31 -4.413 2.664 12.997 1.00 0.00 O ATOM 468 CB LYS A 31 -5.350 -0.274 12.950 1.00 0.00 C ATOM 469 CG LYS A 31 -4.583 -0.895 14.150 1.00 0.00 C ATOM 470 CD LYS A 31 -4.710 0.003 15.397 1.00 0.00 C ATOM 471 CE LYS A 31 -6.028 -0.290 16.120 1.00 0.00 C ATOM 472 NZ LYS A 31 -6.112 0.541 17.355 1.00 0.00 N ATOM 0 H LYS A 31 -3.510 -1.422 11.770 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.934 0.855 11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.114 0.412 13.315 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.865 -1.058 12.395 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.979 -1.887 14.368 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.532 -1.021 13.891 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.870 -0.173 16.069 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.671 1.053 15.105 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.871 -0.073 15.464 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.088 -1.348 16.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.007 0.343 17.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.314 0.313 17.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.074 1.548 17.099 1.00 0.00 H new ATOM 486 N PHE A 32 -2.485 1.511 13.116 1.00 0.00 N ATOM 487 CA PHE A 32 -1.778 2.573 13.827 1.00 0.00 C ATOM 488 C PHE A 32 -1.312 3.649 12.853 1.00 0.00 C ATOM 489 O PHE A 32 -0.632 4.600 13.242 1.00 0.00 O ATOM 490 CB PHE A 32 -0.571 1.993 14.565 1.00 0.00 C ATOM 491 CG PHE A 32 -1.044 1.093 15.681 1.00 0.00 C ATOM 492 CD1 PHE A 32 -1.472 1.647 16.894 1.00 0.00 C ATOM 493 CD2 PHE A 32 -1.053 -0.295 15.505 1.00 0.00 C ATOM 494 CE1 PHE A 32 -1.911 0.813 17.929 1.00 0.00 C ATOM 495 CE2 PHE A 32 -1.492 -1.131 16.540 1.00 0.00 C ATOM 496 CZ PHE A 32 -1.920 -0.575 17.753 1.00 0.00 C ATOM 0 H PHE A 32 -1.925 0.680 12.928 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.462 3.022 14.547 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.056 1.431 13.872 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.042 2.798 14.969 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.463 2.718 17.031 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.721 -0.722 14.570 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.243 1.241 18.863 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.501 -2.202 16.403 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.257 -1.218 18.552 1.00 0.00 H new ATOM 506 N GLY A 33 -1.681 3.494 11.586 1.00 0.00 N ATOM 507 CA GLY A 33 -1.295 4.458 10.563 1.00 0.00 C ATOM 508 C GLY A 33 0.204 4.389 10.289 1.00 0.00 C ATOM 509 O GLY A 33 0.736 5.165 9.494 1.00 0.00 O ATOM 0 H GLY A 33 -2.244 2.715 11.245 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.846 4.260 9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.564 5.464 10.885 1.00 0.00 H new ATOM 513 N LYS A 34 0.882 3.454 10.954 1.00 0.00 N ATOM 514 CA LYS A 34 2.324 3.283 10.779 1.00 0.00 C ATOM 515 C LYS A 34 2.612 2.195 9.750 1.00 0.00 C ATOM 516 O LYS A 34 1.948 1.159 9.725 1.00 0.00 O ATOM 517 CB LYS A 34 2.969 2.900 12.117 1.00 0.00 C ATOM 518 CG LYS A 34 2.689 3.988 13.176 1.00 0.00 C ATOM 519 CD LYS A 34 3.749 5.106 13.097 1.00 0.00 C ATOM 520 CE LYS A 34 4.982 4.725 13.928 1.00 0.00 C ATOM 521 NZ LYS A 34 5.957 5.852 13.910 1.00 0.00 N ATOM 0 H LYS A 34 0.458 2.805 11.617 1.00 0.00 H new ATOM 0 HA LYS A 34 2.743 4.225 10.426 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.576 1.942 12.457 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.044 2.776 11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.696 4.409 13.019 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.694 3.544 14.172 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.038 5.271 12.059 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.329 6.042 13.464 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.688 4.500 14.953 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.443 3.824 13.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.794 5.596 14.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.245 6.046 12.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.514 6.701 14.315 1.00 0.00 H new ATOM 535 N SER A 35 3.609 2.436 8.903 1.00 0.00 N ATOM 536 CA SER A 35 3.978 1.468 7.878 1.00 0.00 C ATOM 537 C SER A 35 4.477 0.177 8.520 1.00 0.00 C ATOM 538 O SER A 35 5.550 0.149 9.124 1.00 0.00 O ATOM 539 CB SER A 35 5.069 2.054 6.979 1.00 0.00 C ATOM 540 OG SER A 35 4.767 3.414 6.701 1.00 0.00 O ATOM 0 H SER A 35 4.171 3.287 8.907 1.00 0.00 H new ATOM 0 HA SER A 35 3.097 1.243 7.277 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.040 1.978 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.135 1.487 6.051 1.00 0.00 H new ATOM 0 HG SER A 35 5.393 3.758 6.030 1.00 0.00 H new ATOM 546 N MET A 36 3.691 -0.890 8.391 1.00 0.00 N ATOM 547 CA MET A 36 4.062 -2.181 8.969 1.00 0.00 C ATOM 548 C MET A 36 4.929 -2.973 7.995 1.00 0.00 C ATOM 549 O MET A 36 4.462 -3.401 6.940 1.00 0.00 O ATOM 550 CB MET A 36 2.790 -2.977 9.302 1.00 0.00 C ATOM 551 CG MET A 36 3.100 -4.067 10.339 1.00 0.00 C ATOM 552 SD MET A 36 4.176 -5.322 9.604 1.00 0.00 S ATOM 553 CE MET A 36 4.387 -6.337 11.088 1.00 0.00 C ATOM 0 H MET A 36 2.800 -0.888 7.895 1.00 0.00 H new ATOM 0 HA MET A 36 4.634 -2.009 9.881 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.023 -2.305 9.688 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.389 -3.431 8.396 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.583 -3.626 11.211 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.174 -4.526 10.686 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.030 -7.187 10.859 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.843 -5.738 11.876 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.415 -6.698 11.423 1.00 0.00 H new ATOM 563 N ASN A 37 6.193 -3.168 8.359 1.00 0.00 N ATOM 564 CA ASN A 37 7.112 -3.916 7.512 1.00 0.00 C ATOM 565 C ASN A 37 6.625 -5.349 7.337 1.00 0.00 C ATOM 566 O ASN A 37 7.051 -6.252 8.056 1.00 0.00 O ATOM 567 CB ASN A 37 8.519 -3.908 8.119 1.00 0.00 C ATOM 568 CG ASN A 37 9.423 -4.905 7.392 1.00 0.00 C ATOM 569 OD1 ASN A 37 10.511 -5.224 7.873 1.00 0.00 O ATOM 570 ND2 ASN A 37 9.034 -5.418 6.255 1.00 0.00 N ATOM 0 H ASN A 37 6.600 -2.821 9.227 1.00 0.00 H new ATOM 0 HA ASN A 37 7.149 -3.438 6.533 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.944 -2.907 8.052 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.466 -4.162 9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.632 -6.083 5.765 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.133 -5.153 5.858 1.00 0.00 H new ATOM 577 N MET A 38 5.744 -5.554 6.364 1.00 0.00 N ATOM 578 CA MET A 38 5.218 -6.885 6.085 1.00 0.00 C ATOM 579 C MET A 38 6.114 -7.576 5.042 1.00 0.00 C ATOM 580 O MET A 38 6.327 -7.021 3.965 1.00 0.00 O ATOM 581 CB MET A 38 3.789 -6.772 5.542 1.00 0.00 C ATOM 582 CG MET A 38 3.288 -8.164 5.170 1.00 0.00 C ATOM 583 SD MET A 38 1.504 -8.143 4.861 1.00 0.00 S ATOM 584 CE MET A 38 0.918 -7.959 6.560 1.00 0.00 C ATOM 0 H MET A 38 5.380 -4.819 5.758 1.00 0.00 H new ATOM 0 HA MET A 38 5.206 -7.472 7.003 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.136 -6.324 6.291 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.768 -6.119 4.670 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.811 -8.519 4.282 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.514 -8.864 5.974 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.027 -8.569 6.705 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.696 -8.283 7.251 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.677 -6.913 6.750 1.00 0.00 H new ATOM 594 N PRO A 39 6.655 -8.752 5.315 1.00 0.00 N ATOM 595 CA PRO A 39 7.539 -9.446 4.333 1.00 0.00 C ATOM 596 C PRO A 39 6.750 -9.979 3.141 1.00 0.00 C ATOM 597 O PRO A 39 5.643 -10.493 3.294 1.00 0.00 O ATOM 598 CB PRO A 39 8.181 -10.579 5.147 1.00 0.00 C ATOM 599 CG PRO A 39 7.201 -10.872 6.237 1.00 0.00 C ATOM 600 CD PRO A 39 6.496 -9.547 6.551 1.00 0.00 C ATOM 0 HA PRO A 39 8.281 -8.778 3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.358 -11.459 4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.146 -10.276 5.554 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.483 -11.629 5.921 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.707 -11.262 7.120 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.444 -9.702 6.792 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.949 -9.048 7.407 1.00 0.00 H new ATOM 608 N GLU A 40 7.327 -9.840 1.955 1.00 0.00 N ATOM 609 CA GLU A 40 6.676 -10.297 0.738 1.00 0.00 C ATOM 610 C GLU A 40 6.261 -11.758 0.858 1.00 0.00 C ATOM 611 O GLU A 40 7.082 -12.660 0.687 1.00 0.00 O ATOM 612 CB GLU A 40 7.628 -10.123 -0.448 1.00 0.00 C ATOM 613 CG GLU A 40 7.023 -10.758 -1.701 1.00 0.00 C ATOM 614 CD GLU A 40 7.787 -10.301 -2.939 1.00 0.00 C ATOM 615 OE1 GLU A 40 8.987 -10.522 -2.986 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.163 -9.735 -3.821 1.00 0.00 O ATOM 0 H GLU A 40 8.243 -9.415 1.811 1.00 0.00 H new ATOM 0 HA GLU A 40 5.778 -9.699 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.816 -9.063 -0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.590 -10.585 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.059 -11.845 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.973 -10.480 -1.789 1.00 0.00 H new ATOM 623 N GLY A 41 4.981 -11.990 1.140 1.00 0.00 N ATOM 624 CA GLY A 41 4.476 -13.355 1.261 1.00 0.00 C ATOM 625 C GLY A 41 3.259 -13.443 2.176 1.00 0.00 C ATOM 626 O GLY A 41 2.458 -14.370 2.054 1.00 0.00 O ATOM 0 H GLY A 41 4.283 -11.261 1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.213 -13.732 0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.266 -13.999 1.647 1.00 0.00 H new ATOM 630 N LYS A 42 3.113 -12.492 3.094 1.00 0.00 N ATOM 631 CA LYS A 42 1.971 -12.524 4.001 1.00 0.00 C ATOM 632 C LYS A 42 0.692 -12.275 3.205 1.00 0.00 C ATOM 633 O LYS A 42 0.653 -11.421 2.320 1.00 0.00 O ATOM 634 CB LYS A 42 2.139 -11.482 5.142 1.00 0.00 C ATOM 635 CG LYS A 42 2.410 -12.186 6.490 1.00 0.00 C ATOM 636 CD LYS A 42 2.167 -11.214 7.641 1.00 0.00 C ATOM 637 CE LYS A 42 2.311 -11.951 8.973 1.00 0.00 C ATOM 638 NZ LYS A 42 1.092 -12.774 9.219 1.00 0.00 N ATOM 0 H LYS A 42 3.753 -11.709 3.228 1.00 0.00 H new ATOM 0 HA LYS A 42 1.910 -13.506 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.962 -10.807 4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.239 -10.872 5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.761 -13.055 6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.437 -12.550 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.879 -10.390 7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.170 -10.780 7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.195 -12.588 8.955 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.450 -11.236 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.094 -13.112 10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.244 -12.196 9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.087 -13.589 8.573 1.00 0.00 H new ATOM 652 N VAL A 43 -0.343 -13.051 3.509 1.00 0.00 N ATOM 653 CA VAL A 43 -1.612 -12.933 2.798 1.00 0.00 C ATOM 654 C VAL A 43 -2.486 -11.826 3.375 1.00 0.00 C ATOM 655 O VAL A 43 -2.814 -11.824 4.562 1.00 0.00 O ATOM 656 CB VAL A 43 -2.370 -14.261 2.862 1.00 0.00 C ATOM 657 CG1 VAL A 43 -3.647 -14.161 2.021 1.00 0.00 C ATOM 658 CG2 VAL A 43 -1.483 -15.378 2.308 1.00 0.00 C ATOM 0 H VAL A 43 -0.329 -13.764 4.238 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.385 -12.680 1.763 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.632 -14.481 3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.187 -15.107 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.278 -13.363 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.385 -13.942 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.020 -16.325 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.223 -15.157 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.573 -15.449 2.904 1.00 0.00 H new ATOM 668 N MET A 44 -2.888 -10.910 2.502 1.00 0.00 N ATOM 669 CA MET A 44 -3.762 -9.807 2.871 1.00 0.00 C ATOM 670 C MET A 44 -5.178 -10.189 2.439 1.00 0.00 C ATOM 671 O MET A 44 -5.352 -10.885 1.439 1.00 0.00 O ATOM 672 CB MET A 44 -3.290 -8.521 2.145 1.00 0.00 C ATOM 673 CG MET A 44 -2.208 -7.759 2.961 1.00 0.00 C ATOM 674 SD MET A 44 -0.691 -7.556 1.980 1.00 0.00 S ATOM 675 CE MET A 44 -1.400 -6.660 0.584 1.00 0.00 C ATOM 0 H MET A 44 -2.616 -10.912 1.519 1.00 0.00 H new ATOM 0 HA MET A 44 -3.740 -9.616 3.944 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.889 -8.783 1.166 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.144 -7.866 1.974 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.589 -6.782 3.257 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.984 -8.305 3.877 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.670 -5.947 0.201 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.667 -7.365 -0.203 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.292 -6.126 0.910 1.00 0.00 H new ATOM 685 N GLU A 45 -6.189 -9.772 3.200 1.00 0.00 N ATOM 686 CA GLU A 45 -7.574 -10.127 2.868 1.00 0.00 C ATOM 687 C GLU A 45 -8.510 -8.936 3.021 1.00 0.00 C ATOM 688 O GLU A 45 -8.612 -8.346 4.097 1.00 0.00 O ATOM 689 CB GLU A 45 -8.048 -11.258 3.781 1.00 0.00 C ATOM 690 CG GLU A 45 -9.413 -11.760 3.306 1.00 0.00 C ATOM 691 CD GLU A 45 -9.811 -13.007 4.089 1.00 0.00 C ATOM 692 OE1 GLU A 45 -8.921 -13.705 4.546 1.00 0.00 O ATOM 693 OE2 GLU A 45 -11.000 -13.246 4.219 1.00 0.00 O ATOM 0 H GLU A 45 -6.082 -9.198 4.037 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.595 -10.448 1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.325 -12.074 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.117 -10.905 4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.163 -10.981 3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.376 -11.986 2.240 1.00 0.00 H new ATOM 700 N THR A 46 -9.199 -8.596 1.934 1.00 0.00 N ATOM 701 CA THR A 46 -10.138 -7.479 1.952 1.00 0.00 C ATOM 702 C THR A 46 -11.494 -7.922 2.484 1.00 0.00 C ATOM 703 O THR A 46 -11.778 -9.116 2.575 1.00 0.00 O ATOM 704 CB THR A 46 -10.299 -6.917 0.539 1.00 0.00 C ATOM 705 OG1 THR A 46 -11.221 -7.719 -0.184 1.00 0.00 O ATOM 706 CG2 THR A 46 -8.943 -6.929 -0.168 1.00 0.00 C ATOM 0 H THR A 46 -9.125 -9.074 1.036 1.00 0.00 H new ATOM 0 HA THR A 46 -9.742 -6.706 2.611 1.00 0.00 H new ATOM 0 HB THR A 46 -10.672 -5.894 0.591 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.571 -7.210 -0.945 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.055 -6.529 -1.176 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.236 -6.315 0.390 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.570 -7.952 -0.223 1.00 0.00 H new ATOM 714 N ARG A 47 -12.331 -6.950 2.832 1.00 0.00 N ATOM 715 CA ARG A 47 -13.660 -7.251 3.353 1.00 0.00 C ATOM 716 C ARG A 47 -14.500 -7.941 2.285 1.00 0.00 C ATOM 717 O ARG A 47 -15.268 -8.858 2.582 1.00 0.00 O ATOM 718 CB ARG A 47 -14.353 -5.964 3.804 1.00 0.00 C ATOM 719 CG ARG A 47 -13.729 -5.477 5.115 1.00 0.00 C ATOM 720 CD ARG A 47 -14.489 -4.250 5.623 1.00 0.00 C ATOM 721 NE ARG A 47 -14.150 -3.988 7.018 1.00 0.00 N ATOM 722 CZ ARG A 47 -12.939 -3.558 7.361 1.00 0.00 C ATOM 723 NH1 ARG A 47 -12.031 -3.366 6.444 1.00 0.00 N ATOM 724 NH2 ARG A 47 -12.659 -3.332 8.615 1.00 0.00 N ATOM 0 H ARG A 47 -12.116 -5.955 2.764 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.555 -7.918 4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.254 -5.197 3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.420 -6.142 3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.761 -6.271 5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.679 -5.228 4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.242 -3.382 5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.562 -4.413 5.527 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.853 -4.137 7.742 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.250 -3.546 5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.102 -3.036 6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.369 -3.485 9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.731 -3.002 8.879 1.00 0.00 H new ATOM 738 N ASP A 48 -14.348 -7.499 1.041 1.00 0.00 N ATOM 739 CA ASP A 48 -15.094 -8.086 -0.063 1.00 0.00 C ATOM 740 C ASP A 48 -14.692 -9.545 -0.253 1.00 0.00 C ATOM 741 O ASP A 48 -15.305 -10.273 -1.033 1.00 0.00 O ATOM 742 CB ASP A 48 -14.825 -7.307 -1.351 1.00 0.00 C ATOM 743 CG ASP A 48 -15.604 -7.925 -2.508 1.00 0.00 C ATOM 744 OD1 ASP A 48 -16.757 -8.265 -2.305 1.00 0.00 O ATOM 745 OD2 ASP A 48 -15.034 -8.047 -3.579 1.00 0.00 O ATOM 0 H ASP A 48 -13.719 -6.741 0.774 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.158 -8.037 0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.115 -6.264 -1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.758 -7.315 -1.575 1.00 0.00 H new ATOM 750 N GLY A 49 -13.658 -9.962 0.471 1.00 0.00 N ATOM 751 CA GLY A 49 -13.176 -11.336 0.383 1.00 0.00 C ATOM 752 C GLY A 49 -12.259 -11.519 -0.820 1.00 0.00 C ATOM 753 O GLY A 49 -12.396 -12.485 -1.572 1.00 0.00 O ATOM 0 H GLY A 49 -13.140 -9.372 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.640 -11.596 1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.023 -12.018 0.306 1.00 0.00 H new ATOM 757 N THR A 50 -11.320 -10.587 -1.000 1.00 0.00 N ATOM 758 CA THR A 50 -10.376 -10.655 -2.119 1.00 0.00 C ATOM 759 C THR A 50 -8.971 -10.946 -1.596 1.00 0.00 C ATOM 760 O THR A 50 -8.451 -10.221 -0.749 1.00 0.00 O ATOM 761 CB THR A 50 -10.395 -9.324 -2.881 1.00 0.00 C ATOM 762 OG1 THR A 50 -11.642 -9.181 -3.546 1.00 0.00 O ATOM 763 CG2 THR A 50 -9.263 -9.285 -3.911 1.00 0.00 C ATOM 0 H THR A 50 -11.193 -9.780 -0.389 1.00 0.00 H new ATOM 0 HA THR A 50 -10.669 -11.458 -2.795 1.00 0.00 H new ATOM 0 HB THR A 50 -10.256 -8.508 -2.172 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.658 -8.330 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.289 -8.335 -4.444 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.305 -9.390 -3.402 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.389 -10.103 -4.621 1.00 0.00 H new ATOM 771 N LYS A 51 -8.368 -12.015 -2.097 1.00 0.00 N ATOM 772 CA LYS A 51 -7.024 -12.396 -1.666 1.00 0.00 C ATOM 773 C LYS A 51 -5.974 -11.554 -2.378 1.00 0.00 C ATOM 774 O LYS A 51 -5.967 -11.448 -3.605 1.00 0.00 O ATOM 775 CB LYS A 51 -6.780 -13.881 -1.951 1.00 0.00 C ATOM 776 CG LYS A 51 -5.488 -14.335 -1.261 1.00 0.00 C ATOM 777 CD LYS A 51 -5.065 -15.700 -1.812 1.00 0.00 C ATOM 778 CE LYS A 51 -6.134 -16.750 -1.486 1.00 0.00 C ATOM 779 NZ LYS A 51 -7.242 -16.656 -2.480 1.00 0.00 N ATOM 0 H LYS A 51 -8.781 -12.631 -2.797 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.944 -12.220 -0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.622 -14.473 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.707 -14.048 -3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.698 -13.603 -1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.642 -14.398 -0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.922 -15.638 -2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.109 -15.996 -1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.697 -17.748 -1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.520 -16.591 -0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.088 -16.261 -2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.953 -16.037 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.459 -17.604 -2.848 1.00 0.00 H new ATOM 793 N ILE A 52 -5.084 -10.963 -1.588 1.00 0.00 N ATOM 794 CA ILE A 52 -4.010 -10.126 -2.118 1.00 0.00 C ATOM 795 C ILE A 52 -2.708 -10.459 -1.384 1.00 0.00 C ATOM 796 O ILE A 52 -2.712 -10.681 -0.179 1.00 0.00 O ATOM 797 CB ILE A 52 -4.367 -8.633 -1.931 1.00 0.00 C ATOM 798 CG1 ILE A 52 -5.253 -8.461 -0.692 1.00 0.00 C ATOM 799 CG2 ILE A 52 -5.146 -8.119 -3.141 1.00 0.00 C ATOM 800 CD1 ILE A 52 -5.294 -6.987 -0.295 1.00 0.00 C ATOM 0 H ILE A 52 -5.085 -11.048 -0.572 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.882 -10.320 -3.183 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.439 -8.073 -1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.261 -8.821 -0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.864 -9.060 0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.391 -7.067 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.538 -8.230 -4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.066 -8.693 -3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.924 -6.865 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.285 -6.643 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.703 -6.400 -1.117 1.00 0.00 H new ATOM 812 N ILE A 53 -1.598 -10.511 -2.120 1.00 0.00 N ATOM 813 CA ILE A 53 -0.296 -10.833 -1.522 1.00 0.00 C ATOM 814 C ILE A 53 0.580 -9.592 -1.441 1.00 0.00 C ATOM 815 O ILE A 53 0.592 -8.763 -2.352 1.00 0.00 O ATOM 816 CB ILE A 53 0.413 -11.893 -2.365 1.00 0.00 C ATOM 817 CG1 ILE A 53 -0.547 -13.056 -2.645 1.00 0.00 C ATOM 818 CG2 ILE A 53 1.644 -12.407 -1.615 1.00 0.00 C ATOM 819 CD1 ILE A 53 -1.150 -13.580 -1.337 1.00 0.00 C ATOM 0 H ILE A 53 -1.570 -10.336 -3.125 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.466 -11.213 -0.515 1.00 0.00 H new ATOM 0 HB ILE A 53 0.727 -11.452 -3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.343 -12.726 -3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.016 -13.859 -3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.148 -13.163 -2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.327 -11.579 -1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.335 -12.846 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.829 -14.405 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.351 -13.930 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.699 -12.779 -0.843 1.00 0.00 H new ATOM 831 N MET A 54 1.321 -9.481 -0.348 1.00 0.00 N ATOM 832 CA MET A 54 2.213 -8.347 -0.150 1.00 0.00 C ATOM 833 C MET A 54 3.292 -8.348 -1.233 1.00 0.00 C ATOM 834 O MET A 54 4.352 -8.942 -1.064 1.00 0.00 O ATOM 835 CB MET A 54 2.849 -8.442 1.247 1.00 0.00 C ATOM 836 CG MET A 54 3.735 -7.220 1.535 1.00 0.00 C ATOM 837 SD MET A 54 2.719 -5.825 2.099 1.00 0.00 S ATOM 838 CE MET A 54 3.522 -4.525 1.124 1.00 0.00 C ATOM 0 H MET A 54 1.323 -10.160 0.413 1.00 0.00 H new ATOM 0 HA MET A 54 1.652 -7.415 -0.221 1.00 0.00 H new ATOM 0 HB2 MET A 54 2.066 -8.514 2.002 1.00 0.00 H new ATOM 0 HB3 MET A 54 3.445 -9.352 1.318 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.476 -7.470 2.295 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.283 -6.939 0.636 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.261 -3.549 1.534 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.603 -4.657 1.162 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.185 -4.586 0.089 1.00 0.00 H new ATOM 848 N LYS A 55 3.007 -7.687 -2.348 1.00 0.00 N ATOM 849 CA LYS A 55 3.959 -7.627 -3.456 1.00 0.00 C ATOM 850 C LYS A 55 5.024 -6.563 -3.204 1.00 0.00 C ATOM 851 O LYS A 55 6.218 -6.861 -3.160 1.00 0.00 O ATOM 852 CB LYS A 55 3.214 -7.301 -4.756 1.00 0.00 C ATOM 853 CG LYS A 55 4.105 -7.618 -5.974 1.00 0.00 C ATOM 854 CD LYS A 55 3.955 -9.097 -6.383 1.00 0.00 C ATOM 855 CE LYS A 55 2.745 -9.270 -7.311 1.00 0.00 C ATOM 856 NZ LYS A 55 2.922 -8.417 -8.521 1.00 0.00 N ATOM 0 H LYS A 55 2.133 -7.188 -2.511 1.00 0.00 H new ATOM 0 HA LYS A 55 4.449 -8.597 -3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.292 -7.880 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.931 -6.248 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.831 -6.974 -6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.147 -7.405 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.860 -9.436 -6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.833 -9.717 -5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.642 -10.316 -7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.829 -8.993 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.445 -8.861 -9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.509 -7.479 -8.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.936 -8.316 -8.729 1.00 0.00 H new ATOM 870 N GLY A 56 4.579 -5.322 -3.055 1.00 0.00 N ATOM 871 CA GLY A 56 5.489 -4.207 -2.825 1.00 0.00 C ATOM 872 C GLY A 56 5.949 -4.149 -1.370 1.00 0.00 C ATOM 873 O GLY A 56 5.341 -3.464 -0.549 1.00 0.00 O ATOM 0 H GLY A 56 3.593 -5.062 -3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.356 -4.304 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.994 -3.272 -3.088 1.00 0.00 H new ATOM 877 N ASN A 57 7.027 -4.861 -1.056 1.00 0.00 N ATOM 878 CA ASN A 57 7.552 -4.864 0.306 1.00 0.00 C ATOM 879 C ASN A 57 8.219 -3.531 0.629 1.00 0.00 C ATOM 880 O ASN A 57 8.495 -3.229 1.790 1.00 0.00 O ATOM 881 CB ASN A 57 8.566 -5.997 0.481 1.00 0.00 C ATOM 882 CG ASN A 57 9.137 -5.969 1.895 1.00 0.00 C ATOM 883 OD1 ASN A 57 10.233 -6.478 2.132 1.00 0.00 O ATOM 884 ND2 ASN A 57 8.456 -5.402 2.854 1.00 0.00 N ATOM 0 H ASN A 57 7.549 -5.437 -1.717 1.00 0.00 H new ATOM 0 HA ASN A 57 6.717 -5.017 0.990 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.087 -6.958 0.292 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.370 -5.893 -0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.832 -5.380 3.802 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.548 -4.981 2.655 1.00 0.00 H new ATOM 891 N GLU A 58 8.472 -2.736 -0.405 1.00 0.00 N ATOM 892 CA GLU A 58 9.105 -1.432 -0.222 1.00 0.00 C ATOM 893 C GLU A 58 8.066 -0.388 0.173 1.00 0.00 C ATOM 894 O GLU A 58 7.806 0.556 -0.571 1.00 0.00 O ATOM 895 CB GLU A 58 9.800 -1.004 -1.518 1.00 0.00 C ATOM 896 CG GLU A 58 11.077 -1.826 -1.710 1.00 0.00 C ATOM 897 CD GLU A 58 11.801 -1.376 -2.975 1.00 0.00 C ATOM 898 OE1 GLU A 58 11.995 -0.181 -3.129 1.00 0.00 O ATOM 899 OE2 GLU A 58 12.151 -2.232 -3.771 1.00 0.00 O ATOM 0 H GLU A 58 8.251 -2.968 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 58 9.844 -1.512 0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.131 -1.149 -2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.041 0.058 -1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.730 -1.707 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.831 -2.885 -1.779 1.00 0.00 H new ATOM 906 N ILE A 59 7.476 -0.569 1.348 1.00 0.00 N ATOM 907 CA ILE A 59 6.460 0.355 1.841 1.00 0.00 C ATOM 908 C ILE A 59 7.091 1.673 2.286 1.00 0.00 C ATOM 909 O ILE A 59 6.393 2.652 2.545 1.00 0.00 O ATOM 910 CB ILE A 59 5.701 -0.287 3.011 1.00 0.00 C ATOM 911 CG1 ILE A 59 6.591 -0.333 4.263 1.00 0.00 C ATOM 912 CG2 ILE A 59 5.306 -1.715 2.624 1.00 0.00 C ATOM 913 CD1 ILE A 59 5.888 -1.128 5.367 1.00 0.00 C ATOM 0 H ILE A 59 7.682 -1.345 1.977 1.00 0.00 H new ATOM 0 HA ILE A 59 5.763 0.569 1.030 1.00 0.00 H new ATOM 0 HB ILE A 59 4.813 0.306 3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.549 -0.794 4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.802 0.679 4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.766 -2.179 3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.667 -1.689 1.741 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.203 -2.294 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.522 -1.159 6.253 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.941 -0.648 5.614 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.700 -2.144 5.020 1.00 0.00 H new ATOM 925 N PHE A 60 8.414 1.678 2.392 1.00 0.00 N ATOM 926 CA PHE A 60 9.133 2.868 2.830 1.00 0.00 C ATOM 927 C PHE A 60 8.676 4.109 2.067 1.00 0.00 C ATOM 928 O PHE A 60 8.732 5.221 2.591 1.00 0.00 O ATOM 929 CB PHE A 60 10.637 2.671 2.625 1.00 0.00 C ATOM 930 CG PHE A 60 11.112 1.509 3.464 1.00 0.00 C ATOM 931 CD1 PHE A 60 11.424 1.701 4.814 1.00 0.00 C ATOM 932 CD2 PHE A 60 11.238 0.238 2.889 1.00 0.00 C ATOM 933 CE1 PHE A 60 11.864 0.623 5.591 1.00 0.00 C ATOM 934 CE2 PHE A 60 11.678 -0.841 3.667 1.00 0.00 C ATOM 935 CZ PHE A 60 11.990 -0.647 5.018 1.00 0.00 C ATOM 0 H PHE A 60 9.008 0.876 2.182 1.00 0.00 H new ATOM 0 HA PHE A 60 8.918 3.018 3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.850 2.484 1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 60 11.174 3.578 2.903 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.325 2.681 5.257 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.996 0.090 1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 60 12.106 0.772 6.633 1.00 0.00 H new ATOM 0 HE2 PHE A 60 11.776 -1.821 3.225 1.00 0.00 H new ATOM 0 HZ PHE A 60 12.328 -1.479 5.618 1.00 0.00 H new ATOM 945 N ARG A 61 8.225 3.922 0.830 1.00 0.00 N ATOM 946 CA ARG A 61 7.772 5.053 0.025 1.00 0.00 C ATOM 947 C ARG A 61 6.550 5.714 0.659 1.00 0.00 C ATOM 948 O ARG A 61 6.367 6.927 0.550 1.00 0.00 O ATOM 949 CB ARG A 61 7.439 4.599 -1.398 1.00 0.00 C ATOM 950 CG ARG A 61 6.369 3.505 -1.362 1.00 0.00 C ATOM 951 CD ARG A 61 5.987 3.116 -2.795 1.00 0.00 C ATOM 952 NE ARG A 61 5.297 1.829 -2.801 1.00 0.00 N ATOM 953 CZ ARG A 61 5.971 0.684 -2.869 1.00 0.00 C ATOM 954 NH1 ARG A 61 7.274 0.694 -2.930 1.00 0.00 N ATOM 955 NH2 ARG A 61 5.326 -0.449 -2.877 1.00 0.00 N ATOM 0 H ARG A 61 8.164 3.014 0.369 1.00 0.00 H new ATOM 0 HA ARG A 61 8.581 5.783 -0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.085 5.446 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.337 4.224 -1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.743 2.633 -0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.490 3.859 -0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.345 3.883 -3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.882 3.060 -3.415 1.00 0.00 H new ATOM 0 HE ARG A 61 4.278 1.807 -2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.778 1.581 -2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.789 -0.185 -2.982 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.307 -0.456 -2.831 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.840 -1.328 -2.929 1.00 0.00 H new ATOM 969 N LEU A 62 5.719 4.917 1.323 1.00 0.00 N ATOM 970 CA LEU A 62 4.524 5.450 1.967 1.00 0.00 C ATOM 971 C LEU A 62 4.894 6.653 2.837 1.00 0.00 C ATOM 972 O LEU A 62 4.296 7.722 2.727 1.00 0.00 O ATOM 973 CB LEU A 62 3.871 4.350 2.829 1.00 0.00 C ATOM 974 CG LEU A 62 2.356 4.571 2.933 1.00 0.00 C ATOM 975 CD1 LEU A 62 1.765 3.559 3.915 1.00 0.00 C ATOM 976 CD2 LEU A 62 2.066 5.990 3.432 1.00 0.00 C ATOM 0 H LEU A 62 5.849 3.911 1.429 1.00 0.00 H new ATOM 0 HA LEU A 62 3.815 5.775 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.072 3.372 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.313 4.351 3.825 1.00 0.00 H new ATOM 0 HG LEU A 62 1.906 4.439 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.689 3.713 3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.963 2.548 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.222 3.694 4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.988 6.138 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.517 6.129 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.486 6.714 2.734 1.00 0.00 H new ATOM 988 N ASP A 63 5.890 6.468 3.698 1.00 0.00 N ATOM 989 CA ASP A 63 6.334 7.542 4.580 1.00 0.00 C ATOM 990 C ASP A 63 7.068 8.618 3.784 1.00 0.00 C ATOM 991 O ASP A 63 7.493 8.386 2.653 1.00 0.00 O ATOM 992 CB ASP A 63 7.262 6.981 5.659 1.00 0.00 C ATOM 993 CG ASP A 63 6.555 5.872 6.430 1.00 0.00 C ATOM 994 OD1 ASP A 63 5.781 6.195 7.317 1.00 0.00 O ATOM 995 OD2 ASP A 63 6.794 4.717 6.121 1.00 0.00 O ATOM 0 H ASP A 63 6.401 5.592 3.804 1.00 0.00 H new ATOM 0 HA ASP A 63 5.458 7.987 5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.173 6.594 5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.562 7.776 6.342 1.00 0.00 H new ATOM 1000 N GLU A 64 7.210 9.795 4.384 1.00 0.00 N ATOM 1001 CA GLU A 64 7.895 10.901 3.723 1.00 0.00 C ATOM 1002 C GLU A 64 7.268 11.181 2.361 1.00 0.00 C ATOM 1003 O GLU A 64 6.403 12.048 2.232 1.00 0.00 O ATOM 1004 CB GLU A 64 9.377 10.567 3.546 1.00 0.00 C ATOM 1005 CG GLU A 64 10.065 10.555 4.912 1.00 0.00 C ATOM 1006 CD GLU A 64 9.505 9.422 5.767 1.00 0.00 C ATOM 1007 OE1 GLU A 64 9.777 8.276 5.449 1.00 0.00 O ATOM 1008 OE2 GLU A 64 8.814 9.718 6.727 1.00 0.00 O ATOM 0 H GLU A 64 6.863 10.007 5.319 1.00 0.00 H new ATOM 0 HA GLU A 64 7.796 11.790 4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.487 9.596 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.851 11.302 2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.140 10.429 4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.912 11.510 5.414 1.00 0.00 H new ATOM 1015 N ALA A 65 7.709 10.442 1.348 1.00 0.00 N ATOM 1016 CA ALA A 65 7.184 10.620 0.000 1.00 0.00 C ATOM 1017 C ALA A 65 7.347 12.069 -0.450 1.00 0.00 C ATOM 1018 O ALA A 65 6.577 12.556 -1.279 1.00 0.00 O ATOM 1019 CB ALA A 65 5.704 10.235 -0.040 1.00 0.00 C ATOM 0 H ALA A 65 8.424 9.719 1.434 1.00 0.00 H new ATOM 0 HA ALA A 65 7.745 9.975 -0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.320 10.371 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.591 9.191 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.145 10.868 0.649 1.00 0.00 H new ATOM 1025 N LEU A 66 8.358 12.744 0.108 1.00 0.00 N ATOM 1026 CA LEU A 66 8.651 14.147 -0.217 1.00 0.00 C ATOM 1027 C LEU A 66 7.388 14.906 -0.644 1.00 0.00 C ATOM 1028 O LEU A 66 6.297 14.631 -0.146 1.00 0.00 O ATOM 1029 CB LEU A 66 9.729 14.225 -1.317 1.00 0.00 C ATOM 1030 CG LEU A 66 9.266 13.494 -2.604 1.00 0.00 C ATOM 1031 CD1 LEU A 66 9.852 14.189 -3.841 1.00 0.00 C ATOM 1032 CD2 LEU A 66 9.742 12.030 -2.581 1.00 0.00 C ATOM 0 H LEU A 66 8.994 12.337 0.794 1.00 0.00 H new ATOM 0 HA LEU A 66 9.030 14.626 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.945 15.269 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.656 13.779 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 66 8.177 13.523 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.522 13.670 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.510 15.223 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.941 14.168 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.412 11.526 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.830 12.002 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.322 11.524 -1.712 1.00 0.00 H new ATOM 1044 N ARG A 67 7.542 15.857 -1.561 1.00 0.00 N ATOM 1045 CA ARG A 67 6.402 16.637 -2.032 1.00 0.00 C ATOM 1046 C ARG A 67 6.804 17.513 -3.214 1.00 0.00 C ATOM 1047 O ARG A 67 7.064 18.706 -3.053 1.00 0.00 O ATOM 1048 CB ARG A 67 5.867 17.515 -0.901 1.00 0.00 C ATOM 1049 CG ARG A 67 4.584 18.212 -1.357 1.00 0.00 C ATOM 1050 CD ARG A 67 3.985 18.997 -0.189 1.00 0.00 C ATOM 1051 NE ARG A 67 3.644 18.094 0.905 1.00 0.00 N ATOM 1052 CZ ARG A 67 3.179 18.557 2.060 1.00 0.00 C ATOM 1053 NH1 ARG A 67 3.021 19.842 2.231 1.00 0.00 N ATOM 1054 NH2 ARG A 67 2.881 17.729 3.023 1.00 0.00 N ATOM 0 H ARG A 67 8.434 16.104 -1.989 1.00 0.00 H new ATOM 0 HA ARG A 67 5.622 15.947 -2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.669 16.908 -0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.614 18.256 -0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.799 18.884 -2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.867 17.475 -1.719 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.696 19.747 0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.094 19.531 -0.520 1.00 0.00 H new ATOM 0 HE ARG A 67 3.765 17.089 0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.255 20.489 1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.664 20.198 3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.005 16.725 2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.524 18.085 3.910 1.00 0.00 H new ATOM 1068 N LYS A 68 6.851 16.914 -4.404 1.00 0.00 N ATOM 1069 CA LYS A 68 7.220 17.642 -5.620 1.00 0.00 C ATOM 1070 C LYS A 68 6.209 17.369 -6.729 1.00 0.00 C ATOM 1071 O LYS A 68 6.224 18.026 -7.771 1.00 0.00 O ATOM 1072 CB LYS A 68 8.614 17.204 -6.087 1.00 0.00 C ATOM 1073 CG LYS A 68 9.678 17.607 -5.049 1.00 0.00 C ATOM 1074 CD LYS A 68 10.113 19.063 -5.265 1.00 0.00 C ATOM 1075 CE LYS A 68 11.277 19.389 -4.328 1.00 0.00 C ATOM 1076 NZ LYS A 68 11.765 20.770 -4.603 1.00 0.00 N ATOM 0 H LYS A 68 6.639 15.928 -4.553 1.00 0.00 H new ATOM 0 HA LYS A 68 7.227 18.709 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.632 16.124 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.843 17.662 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.277 17.486 -4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.542 16.947 -5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.413 19.215 -6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.277 19.736 -5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.956 19.305 -3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.085 18.671 -4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.557 20.992 -3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.086 20.835 -5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.993 21.449 -4.445 1.00 0.00 H new ATOM 1090 N GLY A 69 5.331 16.399 -6.497 1.00 0.00 N ATOM 1091 CA GLY A 69 4.316 16.049 -7.483 1.00 0.00 C ATOM 1092 C GLY A 69 4.957 15.617 -8.796 1.00 0.00 C ATOM 1093 O GLY A 69 6.151 15.825 -9.013 1.00 0.00 O ATOM 0 H GLY A 69 5.302 15.845 -5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.691 15.244 -7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.663 16.904 -7.657 1.00 0.00 H new ATOM 1097 N HIS A 70 4.158 15.012 -9.670 1.00 0.00 N ATOM 1098 CA HIS A 70 4.660 14.554 -10.960 1.00 0.00 C ATOM 1099 C HIS A 70 5.021 15.742 -11.848 1.00 0.00 C ATOM 1100 O HIS A 70 4.260 16.114 -12.742 1.00 0.00 O ATOM 1101 CB HIS A 70 3.603 13.696 -11.657 1.00 0.00 C ATOM 1102 CG HIS A 70 2.340 14.494 -11.825 1.00 0.00 C ATOM 1103 ND1 HIS A 70 1.451 14.699 -10.781 1.00 0.00 N ATOM 1104 CD2 HIS A 70 1.802 15.144 -12.908 1.00 0.00 C ATOM 1105 CE1 HIS A 70 0.435 15.444 -11.253 1.00 0.00 C ATOM 1106 NE2 HIS A 70 0.599 15.743 -12.545 1.00 0.00 N ATOM 0 H HIS A 70 3.167 14.829 -9.510 1.00 0.00 H new ATOM 0 HA HIS A 70 5.556 13.958 -10.789 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.970 13.367 -12.629 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.404 12.799 -11.071 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.245 15.184 -13.892 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.410 15.762 -10.660 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.023 16.292 -13.138 1.00 0.00 H new ATOM 1114 N SER A 71 6.184 16.332 -11.594 1.00 0.00 N ATOM 1115 CA SER A 71 6.634 17.478 -12.377 1.00 0.00 C ATOM 1116 C SER A 71 6.707 17.119 -13.857 1.00 0.00 C ATOM 1117 O SER A 71 7.130 16.021 -14.220 1.00 0.00 O ATOM 1118 CB SER A 71 8.010 17.932 -11.892 1.00 0.00 C ATOM 1119 OG SER A 71 8.406 19.089 -12.619 1.00 0.00 O ATOM 0 H SER A 71 6.828 16.039 -10.859 1.00 0.00 H new ATOM 0 HA SER A 71 5.917 18.289 -12.246 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.978 18.152 -10.825 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.739 17.134 -12.031 1.00 0.00 H new ATOM 0 HG SER A 71 9.288 19.384 -12.309 1.00 0.00 H new ATOM 1125 N GLU A 72 6.293 18.052 -14.708 1.00 0.00 N ATOM 1126 CA GLU A 72 6.317 17.823 -16.148 1.00 0.00 C ATOM 1127 C GLU A 72 5.554 16.548 -16.501 1.00 0.00 C ATOM 1128 O GLU A 72 6.150 15.487 -16.681 1.00 0.00 O ATOM 1129 CB GLU A 72 7.761 17.705 -16.636 1.00 0.00 C ATOM 1130 CG GLU A 72 7.782 17.652 -18.164 1.00 0.00 C ATOM 1131 CD GLU A 72 9.223 17.665 -18.666 1.00 0.00 C ATOM 1132 OE1 GLU A 72 9.761 18.748 -18.833 1.00 0.00 O ATOM 1133 OE2 GLU A 72 9.766 16.594 -18.877 1.00 0.00 O ATOM 0 H GLU A 72 5.939 18.967 -14.428 1.00 0.00 H new ATOM 0 HA GLU A 72 5.836 18.670 -16.638 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.346 18.555 -16.283 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.223 16.808 -16.224 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.275 16.752 -18.512 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.238 18.503 -18.573 1.00 0.00 H new ATOM 1140 N GLY A 73 4.233 16.663 -16.597 1.00 0.00 N ATOM 1141 CA GLY A 73 3.399 15.514 -16.928 1.00 0.00 C ATOM 1142 C GLY A 73 1.928 15.908 -16.987 1.00 0.00 C ATOM 1143 O GLY A 73 1.260 16.010 -15.958 1.00 0.00 O ATOM 0 H GLY A 73 3.721 17.533 -16.452 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.707 15.100 -17.888 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.540 14.731 -16.183 1.00 0.00 H new ATOM 1147 N GLY A 74 1.428 16.127 -18.200 1.00 0.00 N ATOM 1148 CA GLY A 74 0.032 16.509 -18.381 1.00 0.00 C ATOM 1149 C GLY A 74 -0.902 15.388 -17.942 1.00 0.00 C ATOM 1150 O GLY A 74 -0.608 14.756 -16.940 1.00 0.00 O ATOM 1151 OXT GLY A 74 -1.898 15.176 -18.614 1.00 0.00 O ATOM 0 H GLY A 74 1.963 16.047 -19.065 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.180 17.410 -17.805 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.150 16.750 -19.428 1.00 0.00 H new TER 1155 GLY A 74 HETATM 1156 CU CU1 A 101 0.899 -6.567 3.305 1.00 0.00 CU HETATM 1157 CU CU A 102 0.288 14.716 -9.152 1.00 0.00 CU HETATM 1158 O HOH A 201 1.333 16.258 -8.422 1.00 0.00 O