USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 62 GLN : amide:sc= -0.0476 K(o=-4.7,f=-12!) USER MOD Set 1.2: A 64 GLN : amide:sc= -4.67! C(o=-4.7!,f=-11!) USER MOD Set 2.1: A 44 GLN : amide:sc= -3.14! C(o=-1.9!,f=-13!) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 144:sc= 1.23 (180deg=0.124!) USER MOD Set 3.1: A 38 LYS NZ :NH3+ -137:sc= 0.0176! (180deg=-0.815) USER MOD Set 3.2: A 39 TYR OH : rot 166:sc= 0.623 USER MOD Set 4.1: A 27 SER OG : rot 29:sc= 1.43 USER MOD Set 4.2: A 29 GLN : amide:sc= -0.881! C(o=2.3!,f=-1.5!) USER MOD Set 4.3: A 30 THR OG1 : rot 62:sc= 1.77 USER MOD Set 5.1: A 4 ASN : amide:sc= -2.67! C(o=-11!,f=-12!) USER MOD Set 5.2: A 40 ASN : amide:sc= -7.97! C(o=-11!,f=-12!) USER MOD Single : A 1 MET CE :methyl -119:sc= -1.38 (180deg=-5.1!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -3.74 X(o=-3.7,f=-3.4!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -150:sc= -0.143 (180deg=-0.885) USER MOD Single : A 13 LYS NZ :NH3+ -145:sc= 0.541 (180deg=-1.94!) USER MOD Single : A 14 LYS NZ :NH3+ 142:sc= 0.964! (180deg=-1.61!) USER MOD Single : A 16 SER OG : rot 94:sc= 1.24 USER MOD Single : A 17 GLN : amide:sc= 0.529 K(o=0.53,f=-0.93) USER MOD Single : A 18 SER OG : rot 180:sc= -1.81! USER MOD Single : A 32 ASN : amide:sc= -2.9 K(o=-2.9,f=-8.6!) USER MOD Single : A 36 LYS NZ :NH3+ -144:sc= -0.501 (180deg=-2.36!) USER MOD Single : A 37 ASN : amide:sc= -4.96! K(o=-5!,f=-1.2) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 168:sc= 1.11 USER MOD Single : A 54 ASN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 55 THR OG1 : rot 59:sc= -0.124 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.741 5.056 -9.213 1.00 0.00 N ATOM 2 CA MET A 1 0.028 5.763 -8.145 1.00 0.00 C ATOM 3 C MET A 1 0.783 4.733 -7.315 1.00 0.00 C ATOM 4 O MET A 1 2.016 4.769 -7.219 1.00 0.00 O ATOM 5 CB MET A 1 -0.955 6.539 -7.245 1.00 0.00 C ATOM 6 CG MET A 1 -0.197 7.420 -6.238 1.00 0.00 C ATOM 7 SD MET A 1 -1.385 8.435 -5.314 1.00 0.00 S ATOM 8 CE MET A 1 -2.227 7.097 -4.427 1.00 0.00 C ATOM 0 H1 MET A 1 -1.260 5.752 -9.785 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.084 4.528 -9.822 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.415 4.395 -8.776 1.00 0.00 H new ATOM 0 HA MET A 1 0.737 6.461 -8.591 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.605 7.160 -7.861 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.596 5.838 -6.711 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.377 6.797 -5.552 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.515 8.059 -6.760 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.282 7.086 -4.702 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.773 6.142 -4.692 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.133 7.257 -3.353 1.00 0.00 H new ATOM 18 N ILE A 2 0.029 3.865 -6.662 1.00 0.00 N ATOM 19 CA ILE A 2 0.572 2.873 -5.757 1.00 0.00 C ATOM 20 C ILE A 2 0.346 1.459 -6.296 1.00 0.00 C ATOM 21 O ILE A 2 -0.758 1.115 -6.739 1.00 0.00 O ATOM 22 CB ILE A 2 -0.057 3.074 -4.369 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.357 4.457 -3.858 1.00 0.00 C ATOM 24 CG2 ILE A 2 0.454 2.014 -3.391 1.00 0.00 C ATOM 25 CD1 ILE A 2 -0.494 4.867 -2.670 1.00 0.00 C ATOM 0 H ILE A 2 -0.987 3.831 -6.748 1.00 0.00 H new ATOM 0 HA ILE A 2 1.651 2.999 -5.671 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.141 2.989 -4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.409 4.444 -3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.253 5.191 -4.657 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.001 2.171 -2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.190 1.022 -3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.538 2.092 -3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.183 5.852 -2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.542 4.901 -2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.369 4.142 -1.865 1.00 0.00 H new ATOM 37 N ILE A 3 1.418 0.687 -6.348 1.00 0.00 N ATOM 38 CA ILE A 3 1.398 -0.663 -6.915 1.00 0.00 C ATOM 39 C ILE A 3 0.534 -1.589 -6.056 1.00 0.00 C ATOM 40 O ILE A 3 1.030 -2.535 -5.452 1.00 0.00 O ATOM 41 CB ILE A 3 2.849 -1.236 -7.042 1.00 0.00 C ATOM 42 CG1 ILE A 3 3.901 -0.128 -6.811 1.00 0.00 C ATOM 43 CG2 ILE A 3 3.062 -1.846 -8.432 1.00 0.00 C ATOM 44 CD1 ILE A 3 3.754 0.976 -7.870 1.00 0.00 C ATOM 0 H ILE A 3 2.332 0.974 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 3 0.965 -0.606 -7.914 1.00 0.00 H new ATOM 0 HB ILE A 3 2.970 -2.007 -6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.780 0.296 -5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.903 -0.554 -6.856 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.076 -2.240 -8.505 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.347 -2.653 -8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.916 -1.079 -9.192 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.501 1.750 -7.695 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.899 0.550 -8.863 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.757 1.413 -7.804 1.00 0.00 H new ATOM 56 N ASN A 4 -0.747 -1.286 -5.975 1.00 0.00 N ATOM 57 CA ASN A 4 -1.654 -2.068 -5.144 1.00 0.00 C ATOM 58 C ASN A 4 -1.773 -3.479 -5.685 1.00 0.00 C ATOM 59 O ASN A 4 -2.487 -3.704 -6.667 1.00 0.00 O ATOM 60 CB ASN A 4 -3.044 -1.427 -5.133 1.00 0.00 C ATOM 61 CG ASN A 4 -3.014 -0.068 -4.452 1.00 0.00 C ATOM 62 OD1 ASN A 4 -2.263 0.133 -3.510 1.00 0.00 O ATOM 63 ND2 ASN A 4 -3.802 0.874 -4.862 1.00 0.00 N ATOM 0 H ASN A 4 -1.185 -0.509 -6.470 1.00 0.00 H new ATOM 0 HA ASN A 4 -1.253 -2.095 -4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.405 -1.317 -6.155 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.746 -2.081 -4.616 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.795 1.783 -4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.430 0.708 -5.649 1.00 0.00 H new ATOM 70 N ASN A 5 -1.059 -4.432 -5.081 1.00 0.00 N ATOM 71 CA ASN A 5 -1.104 -5.818 -5.556 1.00 0.00 C ATOM 72 C ASN A 5 -0.779 -6.836 -4.464 1.00 0.00 C ATOM 73 O ASN A 5 0.141 -7.649 -4.617 1.00 0.00 O ATOM 74 CB ASN A 5 -0.187 -6.035 -6.776 1.00 0.00 C ATOM 75 CG ASN A 5 1.073 -5.181 -6.690 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.487 -4.597 -7.697 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.710 -5.069 -5.566 1.00 0.00 N ATOM 0 H ASN A 5 -0.453 -4.275 -4.276 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.137 -5.989 -5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.090 -7.087 -6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.731 -5.791 -7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.554 -4.498 -5.513 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.367 -5.552 -4.735 1.00 0.00 H new ATOM 84 N LEU A 6 -1.631 -6.909 -3.456 1.00 0.00 N ATOM 85 CA LEU A 6 -1.528 -7.975 -2.452 1.00 0.00 C ATOM 86 C LEU A 6 -1.745 -9.331 -3.074 1.00 0.00 C ATOM 87 O LEU A 6 -1.108 -10.319 -2.693 1.00 0.00 O ATOM 88 CB LEU A 6 -2.564 -7.775 -1.332 1.00 0.00 C ATOM 89 CG LEU A 6 -2.613 -9.041 -0.447 1.00 0.00 C ATOM 90 CD1 LEU A 6 -1.256 -9.355 0.163 1.00 0.00 C ATOM 91 CD2 LEU A 6 -3.637 -8.874 0.659 1.00 0.00 C ATOM 0 H LEU A 6 -2.398 -6.254 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.522 -7.926 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.301 -6.906 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.547 -7.579 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.900 -9.874 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.332 -10.252 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.529 -9.521 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.932 -8.518 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.659 -9.774 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.367 -8.019 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.622 -8.709 0.221 1.00 0.00 H new ATOM 103 N LYS A 7 -2.755 -9.402 -3.893 1.00 0.00 N ATOM 104 CA LYS A 7 -3.249 -10.647 -4.437 1.00 0.00 C ATOM 105 C LYS A 7 -2.143 -11.603 -4.821 1.00 0.00 C ATOM 106 O LYS A 7 -2.190 -12.775 -4.457 1.00 0.00 O ATOM 107 CB LYS A 7 -4.173 -10.357 -5.609 1.00 0.00 C ATOM 108 CG LYS A 7 -3.521 -9.319 -6.538 1.00 0.00 C ATOM 109 CD LYS A 7 -4.585 -8.720 -7.458 1.00 0.00 C ATOM 110 CE LYS A 7 -4.018 -7.478 -8.166 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.223 -7.874 -9.362 1.00 0.00 N ATOM 0 H LYS A 7 -3.273 -8.583 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.812 -11.154 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.377 -11.275 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.131 -9.984 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.050 -8.532 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.735 -9.788 -7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.900 -9.459 -8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.469 -8.449 -6.880 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.833 -6.820 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.391 -6.914 -7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.848 -7.023 -9.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.434 -8.484 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.832 -8.392 -10.027 1.00 0.00 H new ATOM 125 N LEU A 8 -1.146 -11.109 -5.518 1.00 0.00 N ATOM 126 CA LEU A 8 -0.037 -11.948 -5.934 1.00 0.00 C ATOM 127 C LEU A 8 0.686 -12.506 -4.720 1.00 0.00 C ATOM 128 O LEU A 8 0.970 -13.703 -4.637 1.00 0.00 O ATOM 129 CB LEU A 8 0.953 -11.113 -6.755 1.00 0.00 C ATOM 130 CG LEU A 8 0.469 -10.896 -8.215 1.00 0.00 C ATOM 131 CD1 LEU A 8 -0.794 -11.717 -8.531 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.157 -9.414 -8.419 1.00 0.00 C ATOM 0 H LEU A 8 -1.076 -10.134 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.426 -12.771 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.096 -10.145 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.923 -11.610 -6.766 1.00 0.00 H new ATOM 0 HG LEU A 8 1.263 -11.226 -8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.098 -11.535 -9.562 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.581 -12.778 -8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.599 -11.420 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.184 -9.251 -9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.624 -9.107 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.056 -8.825 -8.238 1.00 0.00 H new ATOM 144 N ILE A 9 0.957 -11.637 -3.777 1.00 0.00 N ATOM 145 CA ILE A 9 1.613 -12.018 -2.546 1.00 0.00 C ATOM 146 C ILE A 9 0.708 -12.934 -1.753 1.00 0.00 C ATOM 147 O ILE A 9 1.122 -13.969 -1.238 1.00 0.00 O ATOM 148 CB ILE A 9 1.875 -10.752 -1.752 1.00 0.00 C ATOM 149 CG1 ILE A 9 2.894 -9.910 -2.512 1.00 0.00 C ATOM 150 CG2 ILE A 9 2.457 -11.125 -0.387 1.00 0.00 C ATOM 151 CD1 ILE A 9 2.660 -8.449 -2.219 1.00 0.00 C ATOM 0 H ILE A 9 0.730 -10.645 -3.840 1.00 0.00 H new ATOM 0 HA ILE A 9 2.547 -12.541 -2.754 1.00 0.00 H new ATOM 0 HB ILE A 9 0.948 -10.195 -1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.905 -10.193 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.808 -10.095 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.647 -10.218 0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.748 -11.754 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.391 -11.669 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.389 -7.848 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.654 -8.171 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.768 -8.271 -1.149 1.00 0.00 H new ATOM 163 N ARG A 10 -0.540 -12.547 -1.673 1.00 0.00 N ATOM 164 CA ARG A 10 -1.520 -13.320 -0.958 1.00 0.00 C ATOM 165 C ARG A 10 -1.682 -14.682 -1.603 1.00 0.00 C ATOM 166 O ARG A 10 -1.625 -15.713 -0.928 1.00 0.00 O ATOM 167 CB ARG A 10 -2.849 -12.543 -0.923 1.00 0.00 C ATOM 168 CG ARG A 10 -4.050 -13.488 -0.973 1.00 0.00 C ATOM 169 CD ARG A 10 -4.667 -13.407 -2.367 1.00 0.00 C ATOM 170 NE ARG A 10 -5.818 -14.286 -2.487 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.531 -14.348 -3.617 1.00 0.00 C ATOM 172 NH1 ARG A 10 -6.210 -13.579 -4.628 1.00 0.00 N ATOM 173 NH2 ARG A 10 -7.531 -15.174 -3.713 1.00 0.00 N ATOM 0 H ARG A 10 -0.902 -11.694 -2.099 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.191 -13.483 0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.896 -11.940 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.891 -11.854 -1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.739 -14.509 -0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.784 -13.210 -0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.968 -12.380 -2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.921 -13.678 -3.114 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.088 -14.867 -1.693 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.420 -12.938 -4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.750 -13.621 -5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.773 -15.776 -2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.074 -15.220 -4.575 1.00 0.00 H new ATOM 187 N GLU A 11 -1.846 -14.695 -2.913 1.00 0.00 N ATOM 188 CA GLU A 11 -2.005 -15.952 -3.611 1.00 0.00 C ATOM 189 C GLU A 11 -0.699 -16.738 -3.629 1.00 0.00 C ATOM 190 O GLU A 11 -0.695 -17.948 -3.841 1.00 0.00 O ATOM 191 CB GLU A 11 -2.569 -15.768 -5.032 1.00 0.00 C ATOM 192 CG GLU A 11 -1.483 -15.237 -5.972 1.00 0.00 C ATOM 193 CD GLU A 11 -1.274 -16.183 -7.145 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.445 -17.375 -6.980 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.948 -15.699 -8.200 1.00 0.00 O ATOM 0 H GLU A 11 -1.872 -13.864 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.742 -16.532 -3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.949 -16.719 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.410 -15.075 -5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.765 -14.251 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.548 -15.118 -5.424 1.00 0.00 H new ATOM 202 N LYS A 12 0.408 -16.053 -3.388 1.00 0.00 N ATOM 203 CA LYS A 12 1.705 -16.711 -3.403 1.00 0.00 C ATOM 204 C LYS A 12 1.685 -17.856 -2.422 1.00 0.00 C ATOM 205 O LYS A 12 2.025 -18.992 -2.758 1.00 0.00 O ATOM 206 CB LYS A 12 2.767 -15.723 -2.938 1.00 0.00 C ATOM 207 CG LYS A 12 4.147 -16.374 -2.988 1.00 0.00 C ATOM 208 CD LYS A 12 5.150 -15.460 -2.288 1.00 0.00 C ATOM 209 CE LYS A 12 5.593 -14.343 -3.224 1.00 0.00 C ATOM 210 NZ LYS A 12 6.335 -14.915 -4.376 1.00 0.00 N ATOM 0 H LYS A 12 0.436 -15.054 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 12 1.922 -17.067 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.752 -14.836 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.548 -15.393 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.122 -17.349 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.448 -16.542 -4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.700 -15.035 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.016 -16.038 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.725 -13.788 -3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.226 -13.636 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.038 -14.226 -4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.819 -15.786 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.669 -15.133 -5.144 1.00 0.00 H new ATOM 224 N LYS A 13 1.232 -17.564 -1.223 1.00 0.00 N ATOM 225 CA LYS A 13 1.134 -18.582 -0.195 1.00 0.00 C ATOM 226 C LYS A 13 -0.259 -19.173 -0.218 1.00 0.00 C ATOM 227 O LYS A 13 -0.631 -19.948 0.668 1.00 0.00 O ATOM 228 CB LYS A 13 1.411 -17.994 1.202 1.00 0.00 C ATOM 229 CG LYS A 13 2.375 -16.808 1.090 1.00 0.00 C ATOM 230 CD LYS A 13 2.835 -16.362 2.483 1.00 0.00 C ATOM 231 CE LYS A 13 3.885 -15.246 2.327 1.00 0.00 C ATOM 232 NZ LYS A 13 4.382 -14.806 3.659 1.00 0.00 N ATOM 0 H LYS A 13 0.926 -16.635 -0.934 1.00 0.00 H new ATOM 0 HA LYS A 13 1.880 -19.350 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.477 -17.672 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.837 -18.760 1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.239 -17.088 0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.885 -15.979 0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.985 -16.002 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.259 -17.205 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.718 -15.605 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.448 -14.399 1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.574 -13.784 3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.662 -15.008 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.257 -15.318 3.890 1.00 0.00 H new ATOM 246 N LYS A 14 -1.074 -18.675 -1.139 1.00 0.00 N ATOM 247 CA LYS A 14 -2.484 -19.010 -1.186 1.00 0.00 C ATOM 248 C LYS A 14 -3.146 -18.566 0.099 1.00 0.00 C ATOM 249 O LYS A 14 -3.844 -19.333 0.772 1.00 0.00 O ATOM 250 CB LYS A 14 -2.696 -20.505 -1.461 1.00 0.00 C ATOM 251 CG LYS A 14 -2.059 -20.845 -2.812 1.00 0.00 C ATOM 252 CD LYS A 14 -2.763 -20.066 -3.945 1.00 0.00 C ATOM 253 CE LYS A 14 -2.122 -20.422 -5.289 1.00 0.00 C ATOM 254 NZ LYS A 14 -1.105 -19.397 -5.648 1.00 0.00 N ATOM 0 H LYS A 14 -0.774 -18.030 -1.870 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.952 -18.480 -2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.246 -21.104 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.760 -20.741 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.998 -20.596 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.132 -21.917 -2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.825 -20.309 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.684 -18.994 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.656 -21.406 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.886 -20.477 -6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.290 -19.860 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.522 -18.711 -6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.791 -18.903 -4.788 1.00 0.00 H new ATOM 268 N ILE A 15 -2.887 -17.313 0.437 1.00 0.00 N ATOM 269 CA ILE A 15 -3.434 -16.682 1.613 1.00 0.00 C ATOM 270 C ILE A 15 -4.839 -16.249 1.318 1.00 0.00 C ATOM 271 O ILE A 15 -5.141 -15.802 0.210 1.00 0.00 O ATOM 272 CB ILE A 15 -2.582 -15.467 2.006 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.162 -15.907 2.273 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.132 -14.785 3.256 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.146 -17.050 3.303 1.00 0.00 C ATOM 0 H ILE A 15 -2.281 -16.702 -0.111 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.431 -17.388 2.443 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.610 -14.757 1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.695 -16.237 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.576 -15.066 2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.507 -13.929 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.151 -14.447 3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.132 -15.492 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.117 -17.359 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.594 -16.706 4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.715 -17.896 2.917 1.00 0.00 H new ATOM 287 N SER A 16 -5.702 -16.411 2.261 1.00 0.00 N ATOM 288 CA SER A 16 -7.072 -16.024 2.043 1.00 0.00 C ATOM 289 C SER A 16 -7.141 -14.506 2.057 1.00 0.00 C ATOM 290 O SER A 16 -6.531 -13.883 2.903 1.00 0.00 O ATOM 291 CB SER A 16 -7.920 -16.593 3.177 1.00 0.00 C ATOM 292 OG SER A 16 -7.469 -17.918 3.472 1.00 0.00 O ATOM 0 H SER A 16 -5.498 -16.802 3.181 1.00 0.00 H new ATOM 0 HA SER A 16 -7.442 -16.401 1.089 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.839 -15.961 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.972 -16.608 2.891 1.00 0.00 H new ATOM 0 HG SER A 16 -6.810 -17.885 4.196 1.00 0.00 H new ATOM 298 N GLN A 17 -7.912 -13.901 1.173 1.00 0.00 N ATOM 299 CA GLN A 17 -8.036 -12.453 1.217 1.00 0.00 C ATOM 300 C GLN A 17 -8.764 -12.041 2.494 1.00 0.00 C ATOM 301 O GLN A 17 -8.508 -10.974 3.065 1.00 0.00 O ATOM 302 CB GLN A 17 -8.739 -11.907 -0.028 1.00 0.00 C ATOM 303 CG GLN A 17 -7.954 -12.314 -1.286 1.00 0.00 C ATOM 304 CD GLN A 17 -7.703 -11.099 -2.164 1.00 0.00 C ATOM 305 OE1 GLN A 17 -8.564 -10.700 -2.950 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.575 -10.485 -2.066 1.00 0.00 N ATOM 0 H GLN A 17 -8.445 -14.368 0.439 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.036 -12.019 1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.757 -12.293 -0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.813 -10.821 0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.005 -12.768 -1.000 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.512 -13.066 -1.844 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.867 -10.821 -1.413 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.390 -9.663 -2.641 1.00 0.00 H new ATOM 315 N SER A 18 -9.681 -12.891 2.923 1.00 0.00 N ATOM 316 CA SER A 18 -10.463 -12.641 4.119 1.00 0.00 C ATOM 317 C SER A 18 -9.594 -12.619 5.374 1.00 0.00 C ATOM 318 O SER A 18 -9.900 -11.896 6.321 1.00 0.00 O ATOM 319 CB SER A 18 -11.554 -13.704 4.275 1.00 0.00 C ATOM 320 OG SER A 18 -12.295 -13.802 3.061 1.00 0.00 O ATOM 0 H SER A 18 -9.903 -13.769 2.454 1.00 0.00 H new ATOM 0 HA SER A 18 -10.920 -11.658 4.004 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.107 -14.667 4.520 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.218 -13.442 5.099 1.00 0.00 H new ATOM 0 HG SER A 18 -12.993 -14.483 3.158 1.00 0.00 H new ATOM 326 N GLU A 19 -8.620 -13.534 5.451 1.00 0.00 N ATOM 327 CA GLU A 19 -7.870 -13.701 6.696 1.00 0.00 C ATOM 328 C GLU A 19 -7.064 -12.464 7.063 1.00 0.00 C ATOM 329 O GLU A 19 -7.295 -11.867 8.114 1.00 0.00 O ATOM 330 CB GLU A 19 -7.001 -14.981 6.687 1.00 0.00 C ATOM 331 CG GLU A 19 -5.752 -14.819 5.809 1.00 0.00 C ATOM 332 CD GLU A 19 -5.048 -16.154 5.683 1.00 0.00 C ATOM 333 OE1 GLU A 19 -5.437 -16.936 4.829 1.00 0.00 O ATOM 334 OE2 GLU A 19 -4.145 -16.393 6.450 1.00 0.00 O ATOM 0 H GLU A 19 -8.340 -14.152 4.689 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.612 -13.829 7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.699 -15.222 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.594 -15.820 6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.033 -14.449 4.823 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.080 -14.081 6.247 1.00 0.00 H new ATOM 341 N LEU A 20 -6.165 -12.036 6.183 1.00 0.00 N ATOM 342 CA LEU A 20 -5.354 -10.870 6.494 1.00 0.00 C ATOM 343 C LEU A 20 -6.197 -9.634 6.687 1.00 0.00 C ATOM 344 O LEU A 20 -5.980 -8.874 7.622 1.00 0.00 O ATOM 345 CB LEU A 20 -4.154 -10.636 5.532 1.00 0.00 C ATOM 346 CG LEU A 20 -4.563 -10.437 4.053 1.00 0.00 C ATOM 347 CD1 LEU A 20 -5.369 -11.614 3.539 1.00 0.00 C ATOM 348 CD2 LEU A 20 -5.337 -9.131 3.848 1.00 0.00 C ATOM 0 H LEU A 20 -5.984 -12.465 5.276 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.885 -11.098 7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.599 -9.759 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.476 -11.487 5.600 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.640 -10.375 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.640 -11.442 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.773 -12.523 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.274 -11.724 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.606 -9.029 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.243 -9.146 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.714 -8.288 4.147 1.00 0.00 H new ATOM 360 N ALA A 21 -7.222 -9.481 5.866 1.00 0.00 N ATOM 361 CA ALA A 21 -8.119 -8.339 5.993 1.00 0.00 C ATOM 362 C ALA A 21 -8.685 -8.256 7.407 1.00 0.00 C ATOM 363 O ALA A 21 -8.741 -7.172 7.999 1.00 0.00 O ATOM 364 CB ALA A 21 -9.260 -8.429 4.975 1.00 0.00 C ATOM 0 H ALA A 21 -7.455 -10.125 5.110 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.544 -7.435 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.917 -7.567 5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.847 -8.441 3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.829 -9.343 5.146 1.00 0.00 H new ATOM 370 N ALA A 22 -8.996 -9.414 7.989 1.00 0.00 N ATOM 371 CA ALA A 22 -9.448 -9.463 9.373 1.00 0.00 C ATOM 372 C ALA A 22 -8.338 -8.981 10.285 1.00 0.00 C ATOM 373 O ALA A 22 -8.566 -8.213 11.219 1.00 0.00 O ATOM 374 CB ALA A 22 -9.849 -10.889 9.759 1.00 0.00 C ATOM 0 H ALA A 22 -8.943 -10.321 7.526 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.319 -8.816 9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.184 -10.905 10.796 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.658 -11.227 9.112 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.991 -11.552 9.644 1.00 0.00 H new ATOM 380 N LEU A 23 -7.125 -9.391 9.969 1.00 0.00 N ATOM 381 CA LEU A 23 -5.951 -8.989 10.731 1.00 0.00 C ATOM 382 C LEU A 23 -5.774 -7.486 10.617 1.00 0.00 C ATOM 383 O LEU A 23 -5.325 -6.819 11.552 1.00 0.00 O ATOM 384 CB LEU A 23 -4.698 -9.678 10.187 1.00 0.00 C ATOM 385 CG LEU A 23 -4.926 -11.192 10.071 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.700 -11.853 9.488 1.00 0.00 C ATOM 387 CD2 LEU A 23 -5.232 -11.815 11.420 1.00 0.00 C ATOM 0 H LEU A 23 -6.922 -10.008 9.183 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.092 -9.277 11.773 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.444 -9.266 9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.852 -9.481 10.846 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.784 -11.348 9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.869 -12.927 9.409 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.501 -11.443 8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.844 -11.667 10.136 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.388 -12.887 11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.396 -11.644 12.098 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.133 -11.362 11.834 1.00 0.00 H new ATOM 399 N LEU A 24 -6.070 -6.973 9.430 1.00 0.00 N ATOM 400 CA LEU A 24 -5.896 -5.558 9.123 1.00 0.00 C ATOM 401 C LEU A 24 -6.998 -4.734 9.753 1.00 0.00 C ATOM 402 O LEU A 24 -6.966 -3.501 9.688 1.00 0.00 O ATOM 403 CB LEU A 24 -5.912 -5.339 7.609 1.00 0.00 C ATOM 404 CG LEU A 24 -4.782 -6.128 6.944 1.00 0.00 C ATOM 405 CD1 LEU A 24 -4.862 -5.955 5.432 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.423 -5.639 7.452 1.00 0.00 C ATOM 0 H LEU A 24 -6.437 -7.524 8.654 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.935 -5.242 9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.873 -5.652 7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.802 -4.277 7.387 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.890 -7.183 7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.057 -6.517 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.823 -6.325 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.764 -4.899 5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.628 -6.209 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.305 -4.581 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.367 -5.778 8.532 1.00 0.00 H new ATOM 418 N GLU A 25 -7.999 -5.411 10.310 1.00 0.00 N ATOM 419 CA GLU A 25 -9.130 -4.733 10.933 1.00 0.00 C ATOM 420 C GLU A 25 -9.959 -4.016 9.867 1.00 0.00 C ATOM 421 O GLU A 25 -10.645 -3.027 10.158 1.00 0.00 O ATOM 422 CB GLU A 25 -8.632 -3.711 11.978 1.00 0.00 C ATOM 423 CG GLU A 25 -7.469 -4.309 12.792 1.00 0.00 C ATOM 424 CD GLU A 25 -6.754 -3.214 13.542 1.00 0.00 C ATOM 425 OE1 GLU A 25 -7.352 -2.641 14.421 1.00 0.00 O ATOM 426 OE2 GLU A 25 -5.612 -2.953 13.213 1.00 0.00 O ATOM 0 H GLU A 25 -8.049 -6.429 10.342 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.751 -5.477 11.433 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.305 -2.799 11.479 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.448 -3.434 12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.848 -5.054 13.492 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.773 -4.821 12.127 1.00 0.00 H new ATOM 433 N VAL A 26 -9.893 -4.515 8.635 1.00 0.00 N ATOM 434 CA VAL A 26 -10.644 -3.940 7.522 1.00 0.00 C ATOM 435 C VAL A 26 -11.328 -5.045 6.727 1.00 0.00 C ATOM 436 O VAL A 26 -11.012 -6.230 6.892 1.00 0.00 O ATOM 437 CB VAL A 26 -9.722 -3.112 6.611 1.00 0.00 C ATOM 438 CG1 VAL A 26 -9.103 -1.964 7.414 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.602 -3.994 6.042 1.00 0.00 C ATOM 0 H VAL A 26 -9.323 -5.322 8.381 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.406 -3.274 7.926 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.312 -2.711 5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.450 -1.378 6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.895 -1.325 7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.523 -2.371 8.242 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.958 -3.394 5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.014 -4.408 6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.038 -4.807 5.461 1.00 0.00 H new ATOM 449 N SER A 27 -12.282 -4.680 5.896 1.00 0.00 N ATOM 450 CA SER A 27 -12.989 -5.674 5.120 1.00 0.00 C ATOM 451 C SER A 27 -12.128 -6.197 3.963 1.00 0.00 C ATOM 452 O SER A 27 -11.229 -5.496 3.457 1.00 0.00 O ATOM 453 CB SER A 27 -14.333 -5.126 4.606 1.00 0.00 C ATOM 454 OG SER A 27 -14.145 -3.855 3.966 1.00 0.00 O ATOM 0 H SER A 27 -12.582 -3.717 5.742 1.00 0.00 H new ATOM 0 HA SER A 27 -13.201 -6.515 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.776 -5.832 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.032 -5.022 5.436 1.00 0.00 H new ATOM 0 HG SER A 27 -13.243 -3.810 3.586 1.00 0.00 H new ATOM 460 N ARG A 28 -12.412 -7.404 3.537 1.00 0.00 N ATOM 461 CA ARG A 28 -11.712 -8.018 2.423 1.00 0.00 C ATOM 462 C ARG A 28 -11.924 -7.219 1.159 1.00 0.00 C ATOM 463 O ARG A 28 -10.977 -6.951 0.411 1.00 0.00 O ATOM 464 CB ARG A 28 -12.245 -9.429 2.225 1.00 0.00 C ATOM 465 CG ARG A 28 -11.522 -10.132 1.084 1.00 0.00 C ATOM 466 CD ARG A 28 -12.075 -11.547 0.987 1.00 0.00 C ATOM 467 NE ARG A 28 -13.519 -11.499 0.774 1.00 0.00 N ATOM 468 CZ ARG A 28 -14.103 -11.912 -0.348 1.00 0.00 C ATOM 469 NH1 ARG A 28 -13.390 -12.420 -1.313 1.00 0.00 N ATOM 470 NH2 ARG A 28 -15.395 -11.815 -0.471 1.00 0.00 N ATOM 0 H ARG A 28 -13.135 -7.993 3.950 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.645 -8.045 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.121 -10.000 3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.314 -9.391 2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.675 -9.597 0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.448 -10.153 1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.594 -12.080 0.167 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.851 -12.099 1.900 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.108 -11.131 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.379 -12.503 -1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.843 -12.735 -2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.952 -11.425 0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.851 -12.129 -1.328 1.00 0.00 H new ATOM 484 N GLN A 29 -13.163 -6.815 0.934 1.00 0.00 N ATOM 485 CA GLN A 29 -13.504 -6.053 -0.252 1.00 0.00 C ATOM 486 C GLN A 29 -12.634 -4.819 -0.351 1.00 0.00 C ATOM 487 O GLN A 29 -12.139 -4.483 -1.415 1.00 0.00 O ATOM 488 CB GLN A 29 -14.990 -5.663 -0.261 1.00 0.00 C ATOM 489 CG GLN A 29 -15.417 -5.131 1.114 1.00 0.00 C ATOM 490 CD GLN A 29 -15.658 -3.632 1.047 1.00 0.00 C ATOM 491 OE1 GLN A 29 -16.148 -3.122 0.038 1.00 0.00 O ATOM 492 NE2 GLN A 29 -15.337 -2.897 2.052 1.00 0.00 N ATOM 0 H GLN A 29 -13.948 -7.003 1.558 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.321 -6.686 -1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.168 -4.903 -1.022 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.597 -6.528 -0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.324 -5.638 1.442 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.645 -5.350 1.852 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.932 -3.322 2.886 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.488 -1.889 2.015 1.00 0.00 H new ATOM 501 N THR A 30 -12.402 -4.181 0.771 1.00 0.00 N ATOM 502 CA THR A 30 -11.537 -3.027 0.795 1.00 0.00 C ATOM 503 C THR A 30 -10.105 -3.408 0.397 1.00 0.00 C ATOM 504 O THR A 30 -9.483 -2.732 -0.416 1.00 0.00 O ATOM 505 CB THR A 30 -11.560 -2.389 2.190 1.00 0.00 C ATOM 506 OG1 THR A 30 -12.025 -3.348 3.142 1.00 0.00 O ATOM 507 CG2 THR A 30 -12.498 -1.176 2.198 1.00 0.00 C ATOM 0 H THR A 30 -12.798 -4.440 1.675 1.00 0.00 H new ATOM 0 HA THR A 30 -11.903 -2.301 0.068 1.00 0.00 H new ATOM 0 HB THR A 30 -10.552 -2.066 2.450 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.410 -4.111 3.165 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.508 -0.730 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.148 -0.440 1.474 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.506 -1.494 1.933 1.00 0.00 H new ATOM 515 N ILE A 31 -9.584 -4.489 0.979 1.00 0.00 N ATOM 516 CA ILE A 31 -8.211 -4.896 0.687 1.00 0.00 C ATOM 517 C ILE A 31 -8.043 -5.288 -0.772 1.00 0.00 C ATOM 518 O ILE A 31 -7.121 -4.813 -1.441 1.00 0.00 O ATOM 519 CB ILE A 31 -7.763 -6.040 1.616 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.682 -5.527 3.065 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.385 -6.570 1.188 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.673 -4.364 3.163 1.00 0.00 C ATOM 0 H ILE A 31 -10.080 -5.086 1.641 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.569 -4.035 0.874 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.491 -6.849 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.666 -5.194 3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.380 -6.337 3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.083 -7.378 1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.441 -6.944 0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.653 -5.764 1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.625 -4.010 4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.687 -4.710 2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.993 -3.549 2.514 1.00 0.00 H new ATOM 534 N ASN A 32 -8.977 -6.069 -1.299 1.00 0.00 N ATOM 535 CA ASN A 32 -8.912 -6.411 -2.716 1.00 0.00 C ATOM 536 C ASN A 32 -9.307 -5.217 -3.550 1.00 0.00 C ATOM 537 O ASN A 32 -8.826 -5.035 -4.676 1.00 0.00 O ATOM 538 CB ASN A 32 -9.748 -7.659 -3.062 1.00 0.00 C ATOM 539 CG ASN A 32 -11.242 -7.432 -2.843 1.00 0.00 C ATOM 540 OD1 ASN A 32 -11.778 -6.380 -3.184 1.00 0.00 O ATOM 541 ND2 ASN A 32 -11.948 -8.364 -2.282 1.00 0.00 N ATOM 0 H ASN A 32 -9.765 -6.467 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.881 -6.673 -2.952 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.573 -7.935 -4.102 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.416 -8.498 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -12.946 -8.223 -2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.505 -9.238 -1.998 1.00 0.00 H new ATOM 548 N GLY A 33 -10.097 -4.340 -2.952 1.00 0.00 N ATOM 549 CA GLY A 33 -10.483 -3.102 -3.590 1.00 0.00 C ATOM 550 C GLY A 33 -9.262 -2.239 -3.842 1.00 0.00 C ATOM 551 O GLY A 33 -9.156 -1.593 -4.885 1.00 0.00 O ATOM 0 H GLY A 33 -10.484 -4.469 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.989 -3.313 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.193 -2.566 -2.960 1.00 0.00 H new ATOM 555 N ILE A 34 -8.315 -2.258 -2.907 1.00 0.00 N ATOM 556 CA ILE A 34 -7.097 -1.465 -3.057 1.00 0.00 C ATOM 557 C ILE A 34 -6.320 -1.930 -4.285 1.00 0.00 C ATOM 558 O ILE A 34 -5.934 -1.114 -5.127 1.00 0.00 O ATOM 559 CB ILE A 34 -6.223 -1.573 -1.775 1.00 0.00 C ATOM 560 CG1 ILE A 34 -6.928 -0.866 -0.616 1.00 0.00 C ATOM 561 CG2 ILE A 34 -4.843 -0.925 -1.995 1.00 0.00 C ATOM 562 CD1 ILE A 34 -6.220 -1.193 0.701 1.00 0.00 C ATOM 0 H ILE A 34 -8.365 -2.806 -2.048 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.368 -0.418 -3.196 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.082 -2.629 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.928 0.211 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.970 -1.181 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.250 -1.013 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.330 -1.431 -2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.971 0.128 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.727 -0.686 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.243 -2.270 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.185 -0.856 0.651 1.00 0.00 H new ATOM 574 N GLU A 35 -6.190 -3.240 -4.452 1.00 0.00 N ATOM 575 CA GLU A 35 -5.548 -3.768 -5.649 1.00 0.00 C ATOM 576 C GLU A 35 -6.410 -3.564 -6.880 1.00 0.00 C ATOM 577 O GLU A 35 -5.902 -3.214 -7.944 1.00 0.00 O ATOM 578 CB GLU A 35 -5.073 -5.232 -5.497 1.00 0.00 C ATOM 579 CG GLU A 35 -6.032 -6.066 -4.623 1.00 0.00 C ATOM 580 CD GLU A 35 -5.326 -7.323 -4.115 1.00 0.00 C ATOM 581 OE1 GLU A 35 -4.110 -7.335 -4.111 1.00 0.00 O ATOM 582 OE2 GLU A 35 -6.010 -8.257 -3.742 1.00 0.00 O ATOM 0 H GLU A 35 -6.513 -3.944 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.638 -3.185 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.991 -5.690 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.077 -5.245 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.379 -5.469 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.914 -6.344 -5.201 1.00 0.00 H new ATOM 589 N LYS A 36 -7.722 -3.740 -6.732 1.00 0.00 N ATOM 590 CA LYS A 36 -8.629 -3.485 -7.853 1.00 0.00 C ATOM 591 C LYS A 36 -8.608 -2.012 -8.218 1.00 0.00 C ATOM 592 O LYS A 36 -8.470 -1.664 -9.390 1.00 0.00 O ATOM 593 CB LYS A 36 -10.056 -3.942 -7.520 1.00 0.00 C ATOM 594 CG LYS A 36 -10.294 -5.342 -8.119 1.00 0.00 C ATOM 595 CD LYS A 36 -10.166 -6.417 -7.030 1.00 0.00 C ATOM 596 CE LYS A 36 -8.768 -7.049 -7.098 1.00 0.00 C ATOM 597 NZ LYS A 36 -8.456 -7.449 -8.501 1.00 0.00 N ATOM 0 H LYS A 36 -8.173 -4.050 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.286 -4.062 -8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.200 -3.967 -6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.780 -3.234 -7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.285 -5.388 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.573 -5.532 -8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.330 -5.976 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.930 -7.182 -7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.022 -6.340 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.721 -7.920 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.906 -8.331 -8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.342 -7.597 -9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.903 -6.698 -8.961 1.00 0.00 H new ATOM 611 N ASN A 37 -8.660 -1.160 -7.198 1.00 0.00 N ATOM 612 CA ASN A 37 -8.569 0.299 -7.331 1.00 0.00 C ATOM 613 C ASN A 37 -9.276 0.981 -6.173 1.00 0.00 C ATOM 614 O ASN A 37 -10.494 1.193 -6.205 1.00 0.00 O ATOM 615 CB ASN A 37 -9.115 0.826 -8.683 1.00 0.00 C ATOM 616 CG ASN A 37 -10.591 0.477 -8.886 1.00 0.00 C ATOM 617 OD1 ASN A 37 -11.251 1.061 -9.754 1.00 0.00 O ATOM 618 ND2 ASN A 37 -11.155 -0.430 -8.153 1.00 0.00 N ATOM 0 H ASN A 37 -8.769 -1.468 -6.232 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.508 0.546 -7.308 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.990 1.908 -8.726 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.528 0.404 -9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -12.139 -0.660 -8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.615 -0.915 -7.436 1.00 0.00 H new ATOM 625 N LYS A 38 -8.530 1.299 -5.136 1.00 0.00 N ATOM 626 CA LYS A 38 -9.086 1.970 -3.966 1.00 0.00 C ATOM 627 C LYS A 38 -7.977 2.705 -3.227 1.00 0.00 C ATOM 628 O LYS A 38 -6.794 2.404 -3.426 1.00 0.00 O ATOM 629 CB LYS A 38 -9.788 0.957 -3.033 1.00 0.00 C ATOM 630 CG LYS A 38 -10.960 1.633 -2.277 1.00 0.00 C ATOM 631 CD LYS A 38 -12.089 2.007 -3.265 1.00 0.00 C ATOM 632 CE LYS A 38 -13.304 2.562 -2.500 1.00 0.00 C ATOM 633 NZ LYS A 38 -13.634 1.677 -1.351 1.00 0.00 N ATOM 0 H LYS A 38 -7.531 1.105 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.834 2.692 -4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.162 0.116 -3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.070 0.555 -2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.345 0.959 -1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.604 2.527 -1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.728 2.750 -3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.383 1.130 -3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.089 3.569 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.161 2.637 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.664 1.547 -1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.174 0.753 -1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.294 2.112 -0.469 1.00 0.00 H new ATOM 647 N TYR A 39 -8.353 3.645 -2.366 1.00 0.00 N ATOM 648 CA TYR A 39 -7.382 4.403 -1.572 1.00 0.00 C ATOM 649 C TYR A 39 -6.372 3.455 -0.928 1.00 0.00 C ATOM 650 O TYR A 39 -6.742 2.444 -0.333 1.00 0.00 O ATOM 651 CB TYR A 39 -8.099 5.219 -0.475 1.00 0.00 C ATOM 652 CG TYR A 39 -9.420 4.561 -0.137 1.00 0.00 C ATOM 653 CD1 TYR A 39 -9.443 3.373 0.607 1.00 0.00 C ATOM 654 CD2 TYR A 39 -10.618 5.127 -0.583 1.00 0.00 C ATOM 655 CE1 TYR A 39 -10.660 2.754 0.894 1.00 0.00 C ATOM 656 CE2 TYR A 39 -11.836 4.513 -0.288 1.00 0.00 C ATOM 657 CZ TYR A 39 -11.857 3.328 0.450 1.00 0.00 C ATOM 658 OH TYR A 39 -13.058 2.707 0.719 1.00 0.00 O ATOM 0 H TYR A 39 -9.325 3.903 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.857 5.089 -2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.473 5.280 0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -8.267 6.240 -0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.519 2.937 0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -10.601 6.042 -1.157 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.678 1.833 1.458 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -12.761 4.954 -0.630 1.00 0.00 H new ATOM 0 HH TYR A 39 -13.795 3.329 0.542 1.00 0.00 H new ATOM 668 N ASN A 40 -5.100 3.777 -1.072 1.00 0.00 N ATOM 669 CA ASN A 40 -4.037 2.943 -0.532 1.00 0.00 C ATOM 670 C ASN A 40 -3.938 3.100 0.979 1.00 0.00 C ATOM 671 O ASN A 40 -4.157 4.198 1.501 1.00 0.00 O ATOM 672 CB ASN A 40 -2.704 3.299 -1.181 1.00 0.00 C ATOM 673 CG ASN A 40 -1.663 2.263 -0.821 1.00 0.00 C ATOM 674 OD1 ASN A 40 -0.774 2.532 -0.014 1.00 0.00 O ATOM 675 ND2 ASN A 40 -1.709 1.098 -1.374 1.00 0.00 N ATOM 0 H ASN A 40 -4.775 4.612 -1.559 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.276 1.903 -0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.819 3.351 -2.264 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.379 4.285 -0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.007 0.396 -1.143 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.448 0.880 -2.042 1.00 0.00 H new ATOM 682 N PRO A 41 -3.619 2.036 1.694 1.00 0.00 N ATOM 683 CA PRO A 41 -3.505 2.065 3.184 1.00 0.00 C ATOM 684 C PRO A 41 -2.358 2.938 3.662 1.00 0.00 C ATOM 685 O PRO A 41 -1.319 3.030 3.002 1.00 0.00 O ATOM 686 CB PRO A 41 -3.225 0.612 3.580 1.00 0.00 C ATOM 687 CG PRO A 41 -3.489 -0.217 2.377 1.00 0.00 C ATOM 688 CD PRO A 41 -3.328 0.692 1.162 1.00 0.00 C ATOM 0 HA PRO A 41 -4.410 2.478 3.629 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.194 0.494 3.913 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.864 0.307 4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.793 -1.055 2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.494 -0.638 2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.321 0.634 0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.017 0.419 0.363 1.00 0.00 H new ATOM 696 N SER A 42 -2.488 3.460 4.867 1.00 0.00 N ATOM 697 CA SER A 42 -1.396 4.173 5.499 1.00 0.00 C ATOM 698 C SER A 42 -0.248 3.190 5.756 1.00 0.00 C ATOM 699 O SER A 42 -0.405 1.975 5.560 1.00 0.00 O ATOM 700 CB SER A 42 -1.857 4.778 6.822 1.00 0.00 C ATOM 701 OG SER A 42 -3.182 5.290 6.690 1.00 0.00 O ATOM 0 H SER A 42 -3.339 3.403 5.427 1.00 0.00 H new ATOM 0 HA SER A 42 -1.061 4.978 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.827 4.022 7.607 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.178 5.576 7.122 1.00 0.00 H new ATOM 0 HG SER A 42 -3.471 5.675 7.544 1.00 0.00 H new ATOM 707 N LEU A 43 0.876 3.692 6.240 1.00 0.00 N ATOM 708 CA LEU A 43 2.021 2.832 6.515 1.00 0.00 C ATOM 709 C LEU A 43 1.670 1.781 7.566 1.00 0.00 C ATOM 710 O LEU A 43 1.975 0.602 7.392 1.00 0.00 O ATOM 711 CB LEU A 43 3.221 3.672 6.985 1.00 0.00 C ATOM 712 CG LEU A 43 4.423 2.766 7.300 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.820 1.962 6.060 1.00 0.00 C ATOM 714 CD2 LEU A 43 5.609 3.625 7.748 1.00 0.00 C ATOM 0 H LEU A 43 1.022 4.679 6.450 1.00 0.00 H new ATOM 0 HA LEU A 43 2.290 2.319 5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.493 4.392 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.947 4.244 7.872 1.00 0.00 H new ATOM 0 HG LEU A 43 4.145 2.077 8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.672 1.325 6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.981 1.343 5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.090 2.645 5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.460 2.982 7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.877 4.319 6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.335 4.187 8.641 1.00 0.00 H new ATOM 726 N GLN A 44 0.990 2.192 8.631 1.00 0.00 N ATOM 727 CA GLN A 44 0.613 1.244 9.683 1.00 0.00 C ATOM 728 C GLN A 44 -0.136 0.069 9.079 1.00 0.00 C ATOM 729 O GLN A 44 0.207 -1.093 9.310 1.00 0.00 O ATOM 730 CB GLN A 44 -0.285 1.931 10.735 1.00 0.00 C ATOM 731 CG GLN A 44 -0.802 0.893 11.756 1.00 0.00 C ATOM 732 CD GLN A 44 -2.326 0.746 11.664 1.00 0.00 C ATOM 733 OE1 GLN A 44 -2.983 0.407 12.655 1.00 0.00 O ATOM 734 NE2 GLN A 44 -2.930 0.956 10.538 1.00 0.00 N ATOM 0 H GLN A 44 0.692 3.154 8.791 1.00 0.00 H new ATOM 0 HA GLN A 44 1.523 0.890 10.167 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.277 2.710 11.250 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.127 2.418 10.243 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.328 -0.071 11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.522 1.198 12.764 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.394 1.236 9.716 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.941 0.842 10.473 1.00 0.00 H new ATOM 743 N LEU A 45 -1.124 0.378 8.268 1.00 0.00 N ATOM 744 CA LEU A 45 -1.911 -0.650 7.612 1.00 0.00 C ATOM 745 C LEU A 45 -1.015 -1.473 6.685 1.00 0.00 C ATOM 746 O LEU A 45 -1.006 -2.702 6.739 1.00 0.00 O ATOM 747 CB LEU A 45 -3.052 0.016 6.828 1.00 0.00 C ATOM 748 CG LEU A 45 -4.206 -0.971 6.557 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.748 -2.103 5.639 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.723 -1.553 7.876 1.00 0.00 C ATOM 0 H LEU A 45 -1.404 1.333 8.045 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.341 -1.324 8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.428 0.872 7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.669 0.398 5.882 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.011 -0.426 6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.578 -2.787 5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.411 -1.688 4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.927 -2.644 6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.537 -2.248 7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.914 -2.080 8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.086 -0.746 8.513 1.00 0.00 H new ATOM 762 N ALA A 46 -0.168 -0.782 5.928 1.00 0.00 N ATOM 763 CA ALA A 46 0.793 -1.452 5.055 1.00 0.00 C ATOM 764 C ALA A 46 1.699 -2.373 5.869 1.00 0.00 C ATOM 765 O ALA A 46 1.924 -3.537 5.502 1.00 0.00 O ATOM 766 CB ALA A 46 1.643 -0.413 4.317 1.00 0.00 C ATOM 0 H ALA A 46 -0.127 0.237 5.900 1.00 0.00 H new ATOM 0 HA ALA A 46 0.243 -2.050 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.357 -0.921 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.996 0.225 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.182 0.197 5.042 1.00 0.00 H new ATOM 772 N LEU A 47 2.189 -1.867 6.990 1.00 0.00 N ATOM 773 CA LEU A 47 3.063 -2.648 7.846 1.00 0.00 C ATOM 774 C LEU A 47 2.342 -3.870 8.373 1.00 0.00 C ATOM 775 O LEU A 47 2.895 -4.966 8.378 1.00 0.00 O ATOM 776 CB LEU A 47 3.611 -1.807 9.003 1.00 0.00 C ATOM 777 CG LEU A 47 4.598 -0.764 8.463 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.978 0.203 9.583 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.868 -1.462 7.958 1.00 0.00 C ATOM 0 H LEU A 47 1.997 -0.923 7.326 1.00 0.00 H new ATOM 0 HA LEU A 47 3.909 -2.977 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.792 -1.311 9.524 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.108 -2.450 9.729 1.00 0.00 H new ATOM 0 HG LEU A 47 4.129 -0.220 7.643 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.679 0.945 9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.083 0.705 9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.444 -0.350 10.399 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.565 -0.717 7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.334 -2.008 8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.608 -2.158 7.161 1.00 0.00 H new ATOM 791 N LYS A 48 1.090 -3.707 8.760 1.00 0.00 N ATOM 792 CA LYS A 48 0.327 -4.849 9.235 1.00 0.00 C ATOM 793 C LYS A 48 0.203 -5.879 8.133 1.00 0.00 C ATOM 794 O LYS A 48 0.353 -7.082 8.382 1.00 0.00 O ATOM 795 CB LYS A 48 -1.068 -4.425 9.725 1.00 0.00 C ATOM 796 CG LYS A 48 -0.921 -3.600 11.019 1.00 0.00 C ATOM 797 CD LYS A 48 -2.301 -3.152 11.543 1.00 0.00 C ATOM 798 CE LYS A 48 -2.099 -2.374 12.857 1.00 0.00 C ATOM 799 NZ LYS A 48 -3.400 -1.882 13.389 1.00 0.00 N ATOM 0 H LYS A 48 0.589 -2.819 8.756 1.00 0.00 H new ATOM 0 HA LYS A 48 0.859 -5.286 10.080 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.572 -3.836 8.959 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.685 -5.305 9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.414 -4.195 11.779 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.298 -2.726 10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.800 -2.524 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.941 -4.018 11.711 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.620 -3.017 13.595 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.429 -1.531 12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.390 -1.927 14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.549 -0.898 13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.171 -2.477 13.024 1.00 0.00 H new ATOM 813 N ILE A 49 -0.044 -5.416 6.912 1.00 0.00 N ATOM 814 CA ILE A 49 -0.157 -6.327 5.790 1.00 0.00 C ATOM 815 C ILE A 49 1.166 -7.031 5.587 1.00 0.00 C ATOM 816 O ILE A 49 1.227 -8.258 5.513 1.00 0.00 O ATOM 817 CB ILE A 49 -0.513 -5.553 4.513 1.00 0.00 C ATOM 818 CG1 ILE A 49 -1.892 -4.934 4.669 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.542 -6.511 3.316 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.179 -4.019 3.476 1.00 0.00 C ATOM 0 H ILE A 49 -0.167 -4.430 6.681 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.942 -7.054 5.999 1.00 0.00 H new ATOM 0 HB ILE A 49 0.234 -4.777 4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.648 -5.716 4.731 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.944 -4.366 5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.795 -5.957 2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.438 -6.973 3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.289 -7.285 3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.168 -3.575 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.429 -3.229 3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.144 -4.601 2.555 1.00 0.00 H new ATOM 832 N ALA A 50 2.235 -6.254 5.569 1.00 0.00 N ATOM 833 CA ALA A 50 3.566 -6.813 5.400 1.00 0.00 C ATOM 834 C ALA A 50 3.940 -7.677 6.583 1.00 0.00 C ATOM 835 O ALA A 50 4.550 -8.726 6.421 1.00 0.00 O ATOM 836 CB ALA A 50 4.598 -5.697 5.227 1.00 0.00 C ATOM 0 H ALA A 50 2.209 -5.239 5.669 1.00 0.00 H new ATOM 0 HA ALA A 50 3.559 -7.432 4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.589 -6.134 5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.349 -5.104 4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.593 -5.057 6.109 1.00 0.00 H new ATOM 842 N TYR A 51 3.609 -7.208 7.774 1.00 0.00 N ATOM 843 CA TYR A 51 3.964 -7.926 8.983 1.00 0.00 C ATOM 844 C TYR A 51 3.330 -9.299 8.990 1.00 0.00 C ATOM 845 O TYR A 51 4.019 -10.303 9.140 1.00 0.00 O ATOM 846 CB TYR A 51 3.515 -7.129 10.221 1.00 0.00 C ATOM 847 CG TYR A 51 3.804 -7.911 11.481 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.104 -7.985 11.975 1.00 0.00 C ATOM 849 CD2 TYR A 51 2.762 -8.563 12.156 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.370 -8.702 13.140 1.00 0.00 C ATOM 851 CE2 TYR A 51 3.027 -9.284 13.322 1.00 0.00 C ATOM 852 CZ TYR A 51 4.336 -9.353 13.812 1.00 0.00 C ATOM 853 OH TYR A 51 4.608 -10.058 14.962 1.00 0.00 O ATOM 0 H TYR A 51 3.098 -6.339 7.928 1.00 0.00 H new ATOM 0 HA TYR A 51 5.047 -8.045 9.011 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.033 -6.171 10.253 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.449 -6.913 10.156 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.908 -7.486 11.454 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.754 -8.507 11.774 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.378 -8.754 13.523 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.225 -9.786 13.843 1.00 0.00 H new ATOM 0 HH TYR A 51 3.780 -10.451 15.308 1.00 0.00 H new ATOM 863 N TYR A 52 2.025 -9.356 8.756 1.00 0.00 N ATOM 864 CA TYR A 52 1.341 -10.642 8.686 1.00 0.00 C ATOM 865 C TYR A 52 1.817 -11.447 7.487 1.00 0.00 C ATOM 866 O TYR A 52 1.999 -12.666 7.568 1.00 0.00 O ATOM 867 CB TYR A 52 -0.180 -10.479 8.666 1.00 0.00 C ATOM 868 CG TYR A 52 -0.826 -11.843 8.536 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.645 -12.796 9.546 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.614 -12.150 7.425 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.248 -14.050 9.440 1.00 0.00 C ATOM 872 CE2 TYR A 52 -2.222 -13.408 7.326 1.00 0.00 C ATOM 873 CZ TYR A 52 -2.039 -14.355 8.332 1.00 0.00 C ATOM 874 OH TYR A 52 -2.629 -15.600 8.232 1.00 0.00 O ATOM 0 H TYR A 52 1.427 -8.542 8.614 1.00 0.00 H new ATOM 0 HA TYR A 52 1.596 -11.193 9.591 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.517 -9.989 9.580 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.478 -9.841 7.834 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.038 -12.560 10.408 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.755 -11.418 6.643 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.102 -14.786 10.217 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.834 -13.645 6.468 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.299 -15.588 7.517 1.00 0.00 H new ATOM 884 N LEU A 53 1.921 -10.778 6.346 1.00 0.00 N ATOM 885 CA LEU A 53 2.286 -11.445 5.105 1.00 0.00 C ATOM 886 C LEU A 53 3.794 -11.698 5.023 1.00 0.00 C ATOM 887 O LEU A 53 4.263 -12.440 4.149 1.00 0.00 O ATOM 888 CB LEU A 53 1.791 -10.643 3.886 1.00 0.00 C ATOM 889 CG LEU A 53 1.107 -11.569 2.869 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.141 -12.505 2.273 1.00 0.00 C ATOM 891 CD2 LEU A 53 0.007 -12.396 3.549 1.00 0.00 C ATOM 0 H LEU A 53 1.758 -9.775 6.255 1.00 0.00 H new ATOM 0 HA LEU A 53 1.793 -12.417 5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.092 -9.872 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.631 -10.133 3.414 1.00 0.00 H new ATOM 0 HG LEU A 53 0.655 -10.960 2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.661 -13.165 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.915 -11.922 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.591 -13.102 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.467 -13.046 2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.445 -13.003 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.740 -11.727 3.976 1.00 0.00 H new ATOM 903 N ASN A 54 4.550 -11.068 5.908 1.00 0.00 N ATOM 904 CA ASN A 54 6.009 -11.223 5.938 1.00 0.00 C ATOM 905 C ASN A 54 6.611 -10.881 4.584 1.00 0.00 C ATOM 906 O ASN A 54 7.517 -11.567 4.106 1.00 0.00 O ATOM 907 CB ASN A 54 6.410 -12.648 6.336 1.00 0.00 C ATOM 908 CG ASN A 54 6.035 -12.938 7.779 1.00 0.00 C ATOM 909 OD1 ASN A 54 5.493 -14.014 8.069 1.00 0.00 O ATOM 910 ND2 ASN A 54 6.279 -12.060 8.707 1.00 0.00 N ATOM 0 H ASN A 54 4.182 -10.439 6.622 1.00 0.00 H new ATOM 0 HA ASN A 54 6.397 -10.533 6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.918 -13.365 5.678 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.484 -12.778 6.203 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.024 -12.257 9.675 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.725 -11.175 8.467 1.00 0.00 H new ATOM 917 N THR A 55 6.052 -9.887 3.928 1.00 0.00 N ATOM 918 CA THR A 55 6.494 -9.509 2.596 1.00 0.00 C ATOM 919 C THR A 55 6.891 -8.031 2.555 1.00 0.00 C ATOM 920 O THR A 55 6.277 -7.200 3.229 1.00 0.00 O ATOM 921 CB THR A 55 5.371 -9.804 1.586 1.00 0.00 C ATOM 922 OG1 THR A 55 5.106 -11.206 1.580 1.00 0.00 O ATOM 923 CG2 THR A 55 5.775 -9.355 0.178 1.00 0.00 C ATOM 0 H THR A 55 5.286 -9.321 4.295 1.00 0.00 H new ATOM 0 HA THR A 55 7.375 -10.093 2.331 1.00 0.00 H new ATOM 0 HB THR A 55 4.478 -9.253 1.881 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.841 -11.493 2.479 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.966 -9.573 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.973 -8.283 0.181 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.674 -9.889 -0.130 1.00 0.00 H new ATOM 931 N PRO A 56 7.885 -7.674 1.761 1.00 0.00 N ATOM 932 CA PRO A 56 8.296 -6.248 1.611 1.00 0.00 C ATOM 933 C PRO A 56 7.131 -5.438 1.069 1.00 0.00 C ATOM 934 O PRO A 56 6.386 -5.914 0.207 1.00 0.00 O ATOM 935 CB PRO A 56 9.430 -6.307 0.573 1.00 0.00 C ATOM 936 CG PRO A 56 9.935 -7.713 0.633 1.00 0.00 C ATOM 937 CD PRO A 56 8.716 -8.575 0.928 1.00 0.00 C ATOM 0 HA PRO A 56 8.603 -5.784 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.066 -6.060 -0.424 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.219 -5.593 0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.401 -8.002 -0.309 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.691 -7.825 1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.201 -8.876 0.016 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.983 -9.489 1.459 1.00 0.00 H new ATOM 945 N LEU A 57 6.989 -4.219 1.526 1.00 0.00 N ATOM 946 CA LEU A 57 5.901 -3.383 1.058 1.00 0.00 C ATOM 947 C LEU A 57 6.006 -3.193 -0.443 1.00 0.00 C ATOM 948 O LEU A 57 4.993 -3.092 -1.134 1.00 0.00 O ATOM 949 CB LEU A 57 5.896 -2.025 1.785 1.00 0.00 C ATOM 950 CG LEU A 57 4.478 -1.674 2.273 1.00 0.00 C ATOM 951 CD1 LEU A 57 3.552 -1.428 1.077 1.00 0.00 C ATOM 952 CD2 LEU A 57 3.913 -2.816 3.126 1.00 0.00 C ATOM 0 H LEU A 57 7.603 -3.783 2.214 1.00 0.00 H new ATOM 0 HA LEU A 57 4.957 -3.880 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.580 -2.058 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.258 -1.246 1.114 1.00 0.00 H new ATOM 0 HG LEU A 57 4.536 -0.768 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.553 -1.181 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.939 -0.601 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.505 -2.327 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.910 -2.555 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.869 -3.728 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.557 -2.978 3.990 1.00 0.00 H new ATOM 964 N GLU A 58 7.229 -3.172 -0.948 1.00 0.00 N ATOM 965 CA GLU A 58 7.455 -2.977 -2.362 1.00 0.00 C ATOM 966 C GLU A 58 6.666 -3.989 -3.175 1.00 0.00 C ATOM 967 O GLU A 58 5.963 -3.623 -4.122 1.00 0.00 O ATOM 968 CB GLU A 58 8.954 -3.096 -2.691 1.00 0.00 C ATOM 969 CG GLU A 58 9.772 -2.102 -1.847 1.00 0.00 C ATOM 970 CD GLU A 58 10.234 -2.753 -0.549 1.00 0.00 C ATOM 971 OE1 GLU A 58 9.393 -3.137 0.234 1.00 0.00 O ATOM 972 OE2 GLU A 58 11.424 -2.869 -0.361 1.00 0.00 O ATOM 0 H GLU A 58 8.078 -3.288 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 58 7.115 -1.975 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.295 -4.113 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.116 -2.902 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.636 -1.759 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.168 -1.223 -1.624 1.00 0.00 H new ATOM 979 N ASP A 59 6.683 -5.235 -2.734 1.00 0.00 N ATOM 980 CA ASP A 59 5.870 -6.256 -3.371 1.00 0.00 C ATOM 981 C ASP A 59 4.412 -5.926 -3.223 1.00 0.00 C ATOM 982 O ASP A 59 3.617 -6.125 -4.147 1.00 0.00 O ATOM 983 CB ASP A 59 6.104 -7.620 -2.702 1.00 0.00 C ATOM 984 CG ASP A 59 7.307 -8.342 -3.277 1.00 0.00 C ATOM 985 OD1 ASP A 59 7.735 -8.000 -4.360 1.00 0.00 O ATOM 986 OD2 ASP A 59 7.794 -9.240 -2.625 1.00 0.00 O ATOM 0 H ASP A 59 7.244 -5.561 -1.947 1.00 0.00 H new ATOM 0 HA ASP A 59 6.150 -6.294 -4.424 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.246 -7.478 -1.631 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.217 -8.241 -2.826 1.00 0.00 H new ATOM 991 N ILE A 60 4.041 -5.619 -1.996 1.00 0.00 N ATOM 992 CA ILE A 60 2.654 -5.466 -1.657 1.00 0.00 C ATOM 993 C ILE A 60 2.069 -4.218 -2.315 1.00 0.00 C ATOM 994 O ILE A 60 1.011 -4.289 -2.956 1.00 0.00 O ATOM 995 CB ILE A 60 2.485 -5.449 -0.136 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.199 -6.669 0.463 1.00 0.00 C ATOM 997 CG2 ILE A 60 1.014 -5.645 0.165 1.00 0.00 C ATOM 998 CD1 ILE A 60 3.188 -6.573 1.988 1.00 0.00 C ATOM 0 H ILE A 60 4.688 -5.472 -1.221 1.00 0.00 H new ATOM 0 HA ILE A 60 2.096 -6.319 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 60 2.880 -4.517 0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.704 -7.586 0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.225 -6.717 0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.859 -5.638 1.244 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.439 -4.838 -0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.683 -6.600 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.695 -7.440 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.703 -5.664 2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.158 -6.546 2.343 1.00 0.00 H new ATOM 1010 N PHE A 61 2.821 -3.108 -2.253 1.00 0.00 N ATOM 1011 CA PHE A 61 2.437 -1.867 -2.945 1.00 0.00 C ATOM 1012 C PHE A 61 3.372 -0.690 -2.685 1.00 0.00 C ATOM 1013 O PHE A 61 3.222 0.367 -3.299 1.00 0.00 O ATOM 1014 CB PHE A 61 0.973 -1.471 -2.725 1.00 0.00 C ATOM 1015 CG PHE A 61 0.592 -1.363 -1.252 1.00 0.00 C ATOM 1016 CD1 PHE A 61 0.755 -0.155 -0.568 1.00 0.00 C ATOM 1017 CD2 PHE A 61 0.015 -2.459 -0.594 1.00 0.00 C ATOM 1018 CE1 PHE A 61 0.344 -0.051 0.771 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -0.403 -2.345 0.734 1.00 0.00 C ATOM 1020 CZ PHE A 61 -0.237 -1.144 1.416 1.00 0.00 C ATOM 0 H PHE A 61 3.696 -3.044 -1.733 1.00 0.00 H new ATOM 0 HA PHE A 61 2.547 -2.118 -4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.785 -0.514 -3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.329 -2.206 -3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.195 0.695 -1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.107 -3.396 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.478 0.879 1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.855 -3.190 1.232 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.557 -1.057 2.444 1.00 0.00 H new ATOM 1030 N GLN A 62 4.395 -0.912 -1.885 1.00 0.00 N ATOM 1031 CA GLN A 62 5.428 0.092 -1.601 1.00 0.00 C ATOM 1032 C GLN A 62 4.850 1.431 -1.151 1.00 0.00 C ATOM 1033 O GLN A 62 3.654 1.560 -0.880 1.00 0.00 O ATOM 1034 CB GLN A 62 6.409 0.295 -2.782 1.00 0.00 C ATOM 1035 CG GLN A 62 5.882 -0.369 -4.060 1.00 0.00 C ATOM 1036 CD GLN A 62 7.027 -0.661 -5.011 1.00 0.00 C ATOM 1037 OE1 GLN A 62 7.794 0.235 -5.356 1.00 0.00 O ATOM 1038 NE2 GLN A 62 7.191 -1.862 -5.453 1.00 0.00 N ATOM 0 H GLN A 62 4.544 -1.799 -1.404 1.00 0.00 H new ATOM 0 HA GLN A 62 5.995 -0.318 -0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.556 1.361 -2.957 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.382 -0.124 -2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.363 -1.294 -3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.155 0.283 -4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.552 -2.603 -5.165 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.959 -2.070 -6.091 1.00 0.00 H new ATOM 1047 N TRP A 63 5.749 2.368 -0.929 1.00 0.00 N ATOM 1048 CA TRP A 63 5.414 3.683 -0.407 1.00 0.00 C ATOM 1049 C TRP A 63 4.659 4.539 -1.428 1.00 0.00 C ATOM 1050 O TRP A 63 3.665 5.171 -1.088 1.00 0.00 O ATOM 1051 CB TRP A 63 6.694 4.380 0.080 1.00 0.00 C ATOM 1052 CG TRP A 63 6.391 5.704 0.702 1.00 0.00 C ATOM 1053 CD1 TRP A 63 7.066 6.844 0.445 1.00 0.00 C ATOM 1054 CD2 TRP A 63 5.369 6.046 1.674 1.00 0.00 C ATOM 1055 NE1 TRP A 63 6.522 7.863 1.192 1.00 0.00 N ATOM 1056 CE2 TRP A 63 5.475 7.425 1.968 1.00 0.00 C ATOM 1057 CE3 TRP A 63 4.368 5.304 2.324 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 4.625 8.041 2.870 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 3.507 5.925 3.237 1.00 0.00 C ATOM 1060 CH2 TRP A 63 3.639 7.291 3.509 1.00 0.00 C ATOM 0 H TRP A 63 6.745 2.239 -1.107 1.00 0.00 H new ATOM 0 HA TRP A 63 4.735 3.554 0.436 1.00 0.00 H new ATOM 0 HB2 TRP A 63 7.203 3.744 0.804 1.00 0.00 H new ATOM 0 HB3 TRP A 63 7.377 4.518 -0.759 1.00 0.00 H new ATOM 0 HD1 TRP A 63 7.898 6.941 -0.237 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.855 8.827 1.173 1.00 0.00 H new ATOM 0 HE3 TRP A 63 4.262 4.249 2.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 4.725 9.096 3.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.740 5.348 3.732 1.00 0.00 H new ATOM 0 HH2 TRP A 63 2.975 7.766 4.216 1.00 0.00 H new ATOM 1071 N GLN A 64 5.179 4.578 -2.658 1.00 0.00 N ATOM 1072 CA GLN A 64 4.624 5.380 -3.775 1.00 0.00 C ATOM 1073 C GLN A 64 3.621 6.451 -3.313 1.00 0.00 C ATOM 1074 O GLN A 64 2.422 6.354 -3.579 1.00 0.00 O ATOM 1075 CB GLN A 64 4.005 4.474 -4.861 1.00 0.00 C ATOM 1076 CG GLN A 64 4.450 3.018 -4.664 1.00 0.00 C ATOM 1077 CD GLN A 64 5.950 2.896 -4.889 1.00 0.00 C ATOM 1078 OE1 GLN A 64 6.743 3.287 -4.030 1.00 0.00 O ATOM 1079 NE2 GLN A 64 6.391 2.392 -5.987 1.00 0.00 N ATOM 0 H GLN A 64 6.011 4.048 -2.920 1.00 0.00 H new ATOM 0 HA GLN A 64 5.467 5.916 -4.210 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.918 4.537 -4.819 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.307 4.822 -5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.197 2.685 -3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.916 2.369 -5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.736 2.068 -6.699 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.396 2.316 -6.146 1.00 0.00 H new ATOM 1088 N PRO A 65 4.093 7.474 -2.641 1.00 0.00 N ATOM 1089 CA PRO A 65 3.214 8.573 -2.122 1.00 0.00 C ATOM 1090 C PRO A 65 2.552 9.353 -3.254 1.00 0.00 C ATOM 1091 O PRO A 65 1.502 9.987 -3.061 1.00 0.00 O ATOM 1092 CB PRO A 65 4.184 9.465 -1.330 1.00 0.00 C ATOM 1093 CG PRO A 65 5.529 9.176 -1.913 1.00 0.00 C ATOM 1094 CD PRO A 65 5.506 7.702 -2.308 1.00 0.00 C ATOM 0 HA PRO A 65 2.389 8.195 -1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.926 10.519 -1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.156 9.233 -0.265 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.724 9.809 -2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.319 9.374 -1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.159 7.501 -3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.838 7.060 -1.492 1.00 0.00 H new ATOM 1102 N GLU A 66 3.179 9.321 -4.420 1.00 0.00 N ATOM 1103 CA GLU A 66 2.678 10.029 -5.594 1.00 0.00 C ATOM 1104 C GLU A 66 3.319 9.468 -6.870 1.00 0.00 C ATOM 1105 O GLU A 66 3.074 8.328 -7.167 1.00 0.00 O ATOM 1106 CB GLU A 66 2.933 11.547 -5.463 1.00 0.00 C ATOM 1107 CG GLU A 66 4.091 11.807 -4.484 1.00 0.00 C ATOM 1108 CD GLU A 66 4.512 13.253 -4.540 1.00 0.00 C ATOM 1109 OE1 GLU A 66 3.665 14.104 -4.415 1.00 0.00 O ATOM 1110 OE2 GLU A 66 5.680 13.493 -4.719 1.00 0.00 O ATOM 1111 OXT GLU A 66 4.055 10.179 -7.523 1.00 0.00 O ATOM 0 H GLU A 66 4.045 8.807 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 66 1.601 9.876 -5.661 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.171 11.969 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.030 12.046 -5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.783 11.550 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.937 11.166 -4.732 1.00 0.00 H new TER 1118 GLU A 66