USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 978 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 2 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 6 GLN : amide:sc= 0.259 K(o=1.4,f=-2.5) USER MOD Set 1.3: A 109 THR OG1 : rot -28:sc= 1.11 USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 54 ASN :FLIP amide:sc= -3.21! C(o=-4.1!,f=-3.2!) USER MOD Set 3.1: A 49 LYS NZ :NH3+ 161:sc= -0.011 (180deg=-0.49) USER MOD Set 3.2: A 73 TYR OH : rot 180:sc= 0.043 USER MOD Set 4.1: A 39 GLN : amide:sc=-0.00592 K(o=-0.0059,f=-1.5!) USER MOD Set 4.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 25 CYS SG : rot 69:sc= 1.24 USER MOD Set 5.2: A 56 TYR OH : rot -116:sc= 0.0989 USER MOD Set 6.1: A 9 HIS : no HD1:sc= -11! C(o=-15!,f=-21!) USER MOD Set 6.2: A 13 ASN : amide:sc= -3.66! C(o=-15!,f=-19!) USER MOD Single : A 1 MET CE :methyl -138:sc= -0.224 (180deg=-1.32!) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.827 (180deg=-0.869) USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= -0.0462 (180deg=-0.419) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -86:sc= 0.22 USER MOD Single : A 16 ASN : amide:sc= -0.0616 K(o=-0.062,f=-1.8!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -12:sc= 0.0288! USER MOD Single : A 48 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.12) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 142:sc= 1.04 USER MOD Single : A 58 SER OG : rot 97:sc= 0.232 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -14:sc= 0.279 USER MOD Single : A 65 ASN : amide:sc= -0.0244 K(o=-0.024,f=-1.8!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -13:sc= -0.181 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0246 K(o=-0.025,f=-1.9!) USER MOD Single : A 86 ASN : amide:sc= -1.9! C(o=-1.9!,f=-3.6!) USER MOD Single : A 87 HIS : no HD1:sc= -0.529! C(o=-0.53!,f=-4.6!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -4.44! C(o=-4.4!,f=-6.4!) USER MOD Single : A 96 ASN : amide:sc= -0.134 K(o=-0.13,f=-3.3!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.574 K(o=-0.57,f=-1.4) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.06 K(o=-0.06,f=-0.58) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 119 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.46) USER MOD Single : A 120 HIS : no HD1:sc= -2.1 X(o=-2.1,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.305 -8.496 20.532 1.00 0.00 N ATOM 2 CA MET A 1 -8.479 -9.133 19.197 1.00 0.00 C ATOM 3 C MET A 1 -9.960 -9.088 18.824 1.00 0.00 C ATOM 4 O MET A 1 -10.490 -9.997 18.221 1.00 0.00 O ATOM 5 CB MET A 1 -7.993 -10.586 19.260 1.00 0.00 C ATOM 6 CG MET A 1 -6.493 -10.614 19.580 1.00 0.00 C ATOM 7 SD MET A 1 -5.565 -9.815 18.245 1.00 0.00 S ATOM 8 CE MET A 1 -5.937 -11.021 16.947 1.00 0.00 C ATOM 0 H1 MET A 1 -7.291 -8.427 20.754 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.722 -7.543 20.519 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.780 -9.072 21.256 1.00 0.00 H new ATOM 0 HA MET A 1 -7.898 -8.601 18.444 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.548 -11.133 20.022 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.182 -11.085 18.309 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.304 -10.102 20.524 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.157 -11.644 19.703 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.037 -11.217 16.364 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.284 -11.949 17.401 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.714 -10.624 16.293 1.00 0.00 H new ATOM 20 N THR A 2 -10.626 -8.022 19.184 1.00 0.00 N ATOM 21 CA THR A 2 -12.084 -7.874 18.868 1.00 0.00 C ATOM 22 C THR A 2 -12.251 -6.899 17.697 1.00 0.00 C ATOM 23 O THR A 2 -13.346 -6.635 17.247 1.00 0.00 O ATOM 24 CB THR A 2 -12.816 -7.325 20.100 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.264 -6.067 20.469 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.670 -8.312 21.261 1.00 0.00 C ATOM 0 H THR A 2 -10.219 -7.236 19.690 1.00 0.00 H new ATOM 0 HA THR A 2 -12.503 -8.843 18.598 1.00 0.00 H new ATOM 0 HB THR A 2 -13.872 -7.195 19.864 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.736 -5.720 21.255 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.190 -7.923 22.137 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.103 -9.272 20.979 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.614 -8.445 21.495 1.00 0.00 H new ATOM 34 N LEU A 3 -11.165 -6.372 17.205 1.00 0.00 N ATOM 35 CA LEU A 3 -11.225 -5.413 16.059 1.00 0.00 C ATOM 36 C LEU A 3 -11.782 -6.122 14.824 1.00 0.00 C ATOM 37 O LEU A 3 -12.556 -5.569 14.070 1.00 0.00 O ATOM 38 CB LEU A 3 -9.805 -4.919 15.746 1.00 0.00 C ATOM 39 CG LEU A 3 -9.284 -4.051 16.903 1.00 0.00 C ATOM 40 CD1 LEU A 3 -7.790 -3.777 16.705 1.00 0.00 C ATOM 41 CD2 LEU A 3 -10.050 -2.714 16.951 1.00 0.00 C ATOM 0 H LEU A 3 -10.225 -6.565 17.550 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.869 -4.573 16.322 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.141 -5.769 15.591 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.807 -4.343 14.821 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.438 -4.583 17.842 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.421 -3.162 17.526 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.246 -4.721 16.687 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.638 -3.253 15.762 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.672 -2.108 17.774 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.908 -2.179 16.012 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.112 -2.908 17.101 1.00 0.00 H new ATOM 53 N GLU A 4 -11.374 -7.340 14.611 1.00 0.00 N ATOM 54 CA GLU A 4 -11.848 -8.108 13.423 1.00 0.00 C ATOM 55 C GLU A 4 -13.348 -8.367 13.543 1.00 0.00 C ATOM 56 O GLU A 4 -14.076 -8.323 12.571 1.00 0.00 O ATOM 57 CB GLU A 4 -11.107 -9.459 13.362 1.00 0.00 C ATOM 58 CG GLU A 4 -9.607 -9.219 13.118 1.00 0.00 C ATOM 59 CD GLU A 4 -8.892 -8.908 14.437 1.00 0.00 C ATOM 60 OE1 GLU A 4 -9.565 -8.813 15.450 1.00 0.00 O ATOM 61 OE2 GLU A 4 -7.677 -8.805 14.416 1.00 0.00 O ATOM 0 H GLU A 4 -10.725 -7.844 15.215 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.649 -7.533 12.519 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.250 -10.005 14.294 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.521 -10.076 12.564 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.162 -10.100 12.655 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.474 -8.391 12.421 1.00 0.00 H new ATOM 68 N LEU A 5 -13.807 -8.646 14.729 1.00 0.00 N ATOM 69 CA LEU A 5 -15.259 -8.918 14.938 1.00 0.00 C ATOM 70 C LEU A 5 -16.063 -7.656 14.618 1.00 0.00 C ATOM 71 O LEU A 5 -17.124 -7.713 14.029 1.00 0.00 O ATOM 72 CB LEU A 5 -15.493 -9.317 16.407 1.00 0.00 C ATOM 73 CG LEU A 5 -15.138 -10.794 16.607 1.00 0.00 C ATOM 74 CD1 LEU A 5 -13.656 -11.018 16.296 1.00 0.00 C ATOM 75 CD2 LEU A 5 -15.422 -11.200 18.058 1.00 0.00 C ATOM 0 H LEU A 5 -13.235 -8.698 15.572 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.579 -9.728 14.283 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.884 -8.695 17.064 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.534 -9.144 16.679 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.743 -11.401 15.934 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.409 -12.070 16.440 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.454 -10.736 15.263 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.048 -10.408 16.964 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.169 -12.251 18.198 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.821 -10.589 18.731 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.479 -11.049 18.278 1.00 0.00 H new ATOM 87 N GLN A 6 -15.563 -6.519 15.015 1.00 0.00 N ATOM 88 CA GLN A 6 -16.281 -5.239 14.757 1.00 0.00 C ATOM 89 C GLN A 6 -16.338 -4.980 13.253 1.00 0.00 C ATOM 90 O GLN A 6 -17.310 -4.464 12.736 1.00 0.00 O ATOM 91 CB GLN A 6 -15.532 -4.089 15.447 1.00 0.00 C ATOM 92 CG GLN A 6 -15.680 -4.217 16.966 1.00 0.00 C ATOM 93 CD GLN A 6 -14.908 -3.093 17.659 1.00 0.00 C ATOM 94 OE1 GLN A 6 -14.993 -1.946 17.265 1.00 0.00 O ATOM 95 NE2 GLN A 6 -14.157 -3.371 18.690 1.00 0.00 N ATOM 0 H GLN A 6 -14.678 -6.421 15.513 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.295 -5.303 15.151 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.478 -4.111 15.171 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.929 -3.131 15.112 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.733 -4.171 17.243 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.305 -5.186 17.297 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.084 -4.332 19.023 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.644 -2.627 19.163 1.00 0.00 H new ATOM 104 N LEU A 7 -15.297 -5.327 12.548 1.00 0.00 N ATOM 105 CA LEU A 7 -15.275 -5.099 11.077 1.00 0.00 C ATOM 106 C LEU A 7 -16.381 -5.922 10.414 1.00 0.00 C ATOM 107 O LEU A 7 -17.076 -5.454 9.534 1.00 0.00 O ATOM 108 CB LEU A 7 -13.913 -5.534 10.510 1.00 0.00 C ATOM 109 CG LEU A 7 -13.877 -5.302 8.990 1.00 0.00 C ATOM 110 CD1 LEU A 7 -14.043 -3.802 8.688 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.541 -5.797 8.426 1.00 0.00 C ATOM 0 H LEU A 7 -14.457 -5.761 12.930 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.436 -4.040 10.875 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.113 -4.971 10.991 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.738 -6.587 10.730 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.693 -5.854 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.017 -3.643 7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.998 -3.455 9.083 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.232 -3.245 9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.517 -5.632 7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.723 -5.250 8.895 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.431 -6.862 8.632 1.00 0.00 H new ATOM 123 N LYS A 8 -16.537 -7.150 10.826 1.00 0.00 N ATOM 124 CA LYS A 8 -17.588 -8.023 10.226 1.00 0.00 C ATOM 125 C LYS A 8 -18.965 -7.435 10.529 1.00 0.00 C ATOM 126 O LYS A 8 -19.854 -7.446 9.702 1.00 0.00 O ATOM 127 CB LYS A 8 -17.487 -9.431 10.830 1.00 0.00 C ATOM 128 CG LYS A 8 -16.193 -10.100 10.355 1.00 0.00 C ATOM 129 CD LYS A 8 -16.080 -11.502 10.961 1.00 0.00 C ATOM 130 CE LYS A 8 -14.816 -12.189 10.435 1.00 0.00 C ATOM 131 NZ LYS A 8 -13.614 -11.432 10.888 1.00 0.00 N ATOM 0 H LYS A 8 -15.978 -7.590 11.557 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.445 -8.080 9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.500 -9.373 11.918 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.348 -10.029 10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.184 -10.163 9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.333 -9.497 10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.045 -11.437 12.049 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.960 -12.092 10.705 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.770 -13.216 10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.841 -12.236 9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.769 -12.030 10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.503 -10.577 10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.730 -11.160 11.885 1.00 0.00 H new ATOM 145 N HIS A 9 -19.143 -6.931 11.719 1.00 0.00 N ATOM 146 CA HIS A 9 -20.456 -6.338 12.107 1.00 0.00 C ATOM 147 C HIS A 9 -20.711 -5.076 11.280 1.00 0.00 C ATOM 148 O HIS A 9 -21.788 -4.868 10.757 1.00 0.00 O ATOM 149 CB HIS A 9 -20.413 -5.969 13.596 1.00 0.00 C ATOM 150 CG HIS A 9 -21.747 -5.424 14.027 1.00 0.00 C ATOM 151 ND1 HIS A 9 -22.766 -6.240 14.496 1.00 0.00 N ATOM 152 CD2 HIS A 9 -22.244 -4.143 14.068 1.00 0.00 C ATOM 153 CE1 HIS A 9 -23.814 -5.449 14.794 1.00 0.00 C ATOM 154 NE2 HIS A 9 -23.550 -4.163 14.554 1.00 0.00 N ATOM 0 H HIS A 9 -18.429 -6.904 12.447 1.00 0.00 H new ATOM 0 HA HIS A 9 -21.254 -7.057 11.924 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.160 -6.847 14.190 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.633 -5.228 13.774 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.705 -3.256 13.769 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.755 -5.812 15.181 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.171 -3.366 14.696 1.00 0.00 H new ATOM 162 N TYR A 10 -19.721 -4.233 11.163 1.00 0.00 N ATOM 163 CA TYR A 10 -19.880 -2.974 10.377 1.00 0.00 C ATOM 164 C TYR A 10 -20.154 -3.303 8.910 1.00 0.00 C ATOM 165 O TYR A 10 -21.013 -2.720 8.282 1.00 0.00 O ATOM 166 CB TYR A 10 -18.594 -2.142 10.472 1.00 0.00 C ATOM 167 CG TYR A 10 -18.725 -0.923 9.590 1.00 0.00 C ATOM 168 CD1 TYR A 10 -18.413 -1.008 8.227 1.00 0.00 C ATOM 169 CD2 TYR A 10 -19.165 0.291 10.133 1.00 0.00 C ATOM 170 CE1 TYR A 10 -18.546 0.118 7.405 1.00 0.00 C ATOM 171 CE2 TYR A 10 -19.296 1.418 9.311 1.00 0.00 C ATOM 172 CZ TYR A 10 -18.986 1.332 7.948 1.00 0.00 C ATOM 173 OH TYR A 10 -19.118 2.441 7.139 1.00 0.00 O ATOM 0 H TYR A 10 -18.800 -4.363 11.582 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.718 -2.408 10.784 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.417 -1.841 11.505 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.736 -2.739 10.162 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -18.069 -1.943 7.810 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -19.403 0.358 11.184 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.310 0.050 6.353 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -19.636 2.354 9.729 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.434 3.200 7.673 1.00 0.00 H new ATOM 183 N ILE A 11 -19.408 -4.213 8.351 1.00 0.00 N ATOM 184 CA ILE A 11 -19.601 -4.566 6.916 1.00 0.00 C ATOM 185 C ILE A 11 -20.995 -5.164 6.710 1.00 0.00 C ATOM 186 O ILE A 11 -21.676 -4.856 5.751 1.00 0.00 O ATOM 187 CB ILE A 11 -18.531 -5.592 6.494 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.135 -4.929 6.495 1.00 0.00 C ATOM 189 CG2 ILE A 11 -18.854 -6.126 5.090 1.00 0.00 C ATOM 190 CD1 ILE A 11 -16.884 -4.192 5.169 1.00 0.00 C ATOM 0 H ILE A 11 -18.669 -4.730 8.828 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.506 -3.667 6.307 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.530 -6.420 7.203 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.060 -4.228 7.326 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.367 -5.687 6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.096 -6.851 4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -19.832 -6.607 5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.863 -5.299 4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.896 -3.732 5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.937 -4.901 4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -17.641 -3.420 5.033 1.00 0.00 H new ATOM 202 N THR A 12 -21.409 -6.031 7.593 1.00 0.00 N ATOM 203 CA THR A 12 -22.753 -6.675 7.456 1.00 0.00 C ATOM 204 C THR A 12 -23.861 -5.625 7.553 1.00 0.00 C ATOM 205 O THR A 12 -24.796 -5.624 6.780 1.00 0.00 O ATOM 206 CB THR A 12 -22.943 -7.700 8.584 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.580 -7.112 9.827 1.00 0.00 O ATOM 208 CG2 THR A 12 -22.073 -8.928 8.324 1.00 0.00 C ATOM 0 H THR A 12 -20.873 -6.325 8.410 1.00 0.00 H new ATOM 0 HA THR A 12 -22.808 -7.166 6.484 1.00 0.00 H new ATOM 0 HB THR A 12 -23.989 -8.005 8.618 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.615 -7.212 9.967 1.00 0.00 H new ATOM 0 HG21 THR A 12 -22.213 -9.650 9.128 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.358 -9.382 7.375 1.00 0.00 H new ATOM 0 HG23 THR A 12 -21.025 -8.630 8.283 1.00 0.00 H new ATOM 216 N ASN A 13 -23.764 -4.737 8.501 1.00 0.00 N ATOM 217 CA ASN A 13 -24.805 -3.682 8.666 1.00 0.00 C ATOM 218 C ASN A 13 -24.776 -2.730 7.473 1.00 0.00 C ATOM 219 O ASN A 13 -25.789 -2.198 7.061 1.00 0.00 O ATOM 220 CB ASN A 13 -24.534 -2.896 9.956 1.00 0.00 C ATOM 221 CG ASN A 13 -24.844 -3.773 11.169 1.00 0.00 C ATOM 222 OD1 ASN A 13 -25.556 -4.751 11.060 1.00 0.00 O ATOM 223 ND2 ASN A 13 -24.339 -3.462 12.329 1.00 0.00 N ATOM 0 H ASN A 13 -23.001 -4.695 9.176 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.787 -4.152 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.493 -2.574 9.985 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -25.147 -1.995 9.980 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -24.542 -4.040 13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -23.741 -2.641 12.421 1.00 0.00 H new ATOM 230 N LEU A 14 -23.612 -2.477 6.945 1.00 0.00 N ATOM 231 CA LEU A 14 -23.495 -1.525 5.811 1.00 0.00 C ATOM 232 C LEU A 14 -24.305 -2.028 4.617 1.00 0.00 C ATOM 233 O LEU A 14 -25.047 -1.288 4.002 1.00 0.00 O ATOM 234 CB LEU A 14 -22.007 -1.417 5.399 1.00 0.00 C ATOM 235 CG LEU A 14 -21.720 -0.020 4.826 1.00 0.00 C ATOM 236 CD1 LEU A 14 -22.711 0.293 3.692 1.00 0.00 C ATOM 237 CD2 LEU A 14 -21.853 1.038 5.949 1.00 0.00 C ATOM 0 H LEU A 14 -22.733 -2.892 7.253 1.00 0.00 H new ATOM 0 HA LEU A 14 -23.876 -0.551 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.368 -1.603 6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.770 -2.179 4.657 1.00 0.00 H new ATOM 0 HG LEU A 14 -20.706 0.005 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -22.503 1.284 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -22.605 -0.449 2.901 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -23.729 0.266 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -21.649 2.028 5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -22.865 1.013 6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.139 0.818 6.743 1.00 0.00 H new ATOM 249 N PHE A 15 -24.155 -3.274 4.278 1.00 0.00 N ATOM 250 CA PHE A 15 -24.897 -3.842 3.109 1.00 0.00 C ATOM 251 C PHE A 15 -26.008 -4.766 3.612 1.00 0.00 C ATOM 252 O PHE A 15 -26.718 -5.371 2.837 1.00 0.00 O ATOM 253 CB PHE A 15 -23.919 -4.626 2.230 1.00 0.00 C ATOM 254 CG PHE A 15 -23.048 -3.662 1.459 1.00 0.00 C ATOM 255 CD1 PHE A 15 -23.538 -3.063 0.293 1.00 0.00 C ATOM 256 CD2 PHE A 15 -21.754 -3.370 1.907 1.00 0.00 C ATOM 257 CE1 PHE A 15 -22.736 -2.170 -0.424 1.00 0.00 C ATOM 258 CE2 PHE A 15 -20.951 -2.477 1.189 1.00 0.00 C ATOM 259 CZ PHE A 15 -21.441 -1.876 0.023 1.00 0.00 C ATOM 0 H PHE A 15 -23.546 -3.934 4.761 1.00 0.00 H new ATOM 0 HA PHE A 15 -25.343 -3.038 2.524 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -23.300 -5.277 2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -24.468 -5.268 1.541 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -24.535 -3.291 -0.053 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.376 -3.834 2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -23.115 -1.707 -1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.953 -2.251 1.534 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.821 -1.187 -0.531 1.00 0.00 H new ATOM 269 N ASN A 16 -26.160 -4.868 4.911 1.00 0.00 N ATOM 270 CA ASN A 16 -27.227 -5.740 5.494 1.00 0.00 C ATOM 271 C ASN A 16 -27.055 -7.169 4.990 1.00 0.00 C ATOM 272 O ASN A 16 -28.012 -7.863 4.702 1.00 0.00 O ATOM 273 CB ASN A 16 -28.609 -5.197 5.110 1.00 0.00 C ATOM 274 CG ASN A 16 -28.881 -3.906 5.888 1.00 0.00 C ATOM 275 OD1 ASN A 16 -28.371 -3.717 6.976 1.00 0.00 O ATOM 276 ND2 ASN A 16 -29.666 -3.001 5.371 1.00 0.00 N ATOM 0 H ASN A 16 -25.585 -4.380 5.597 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.143 -5.740 6.581 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.652 -5.005 4.038 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -29.378 -5.937 5.332 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -29.851 -2.136 5.879 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -30.094 -3.158 4.459 1.00 0.00 H new ATOM 283 N LEU A 17 -25.831 -7.611 4.880 1.00 0.00 N ATOM 284 CA LEU A 17 -25.566 -8.989 4.389 1.00 0.00 C ATOM 285 C LEU A 17 -25.625 -9.981 5.560 1.00 0.00 C ATOM 286 O LEU A 17 -25.270 -9.650 6.676 1.00 0.00 O ATOM 287 CB LEU A 17 -24.172 -9.049 3.757 1.00 0.00 C ATOM 288 CG LEU A 17 -24.093 -8.049 2.591 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.628 -7.712 2.299 1.00 0.00 C ATOM 290 CD2 LEU A 17 -24.734 -8.652 1.333 1.00 0.00 C ATOM 0 H LEU A 17 -24.998 -7.070 5.112 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.321 -9.252 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.413 -8.815 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.967 -10.058 3.399 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.630 -7.142 2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.575 -7.003 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -22.173 -7.270 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.092 -8.622 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.672 -7.935 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.206 -9.565 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.780 -8.885 1.533 1.00 0.00 H new ATOM 302 N PRO A 18 -26.060 -11.194 5.307 1.00 0.00 N ATOM 303 CA PRO A 18 -26.148 -12.249 6.352 1.00 0.00 C ATOM 304 C PRO A 18 -24.945 -12.243 7.298 1.00 0.00 C ATOM 305 O PRO A 18 -23.805 -12.289 6.881 1.00 0.00 O ATOM 306 CB PRO A 18 -26.192 -13.542 5.532 1.00 0.00 C ATOM 307 CG PRO A 18 -26.851 -13.165 4.243 1.00 0.00 C ATOM 308 CD PRO A 18 -26.522 -11.690 3.998 1.00 0.00 C ATOM 0 HA PRO A 18 -27.009 -12.111 7.006 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -25.190 -13.935 5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -26.755 -14.318 6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -26.484 -13.785 3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.929 -13.317 4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.751 -11.576 3.236 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -27.397 -11.140 3.651 1.00 0.00 H new ATOM 316 N ARG A 19 -25.207 -12.182 8.573 1.00 0.00 N ATOM 317 CA ARG A 19 -24.111 -12.166 9.584 1.00 0.00 C ATOM 318 C ARG A 19 -23.788 -13.601 10.012 1.00 0.00 C ATOM 319 O ARG A 19 -22.758 -13.868 10.596 1.00 0.00 O ATOM 320 CB ARG A 19 -24.571 -11.358 10.806 1.00 0.00 C ATOM 321 CG ARG A 19 -23.425 -11.255 11.813 1.00 0.00 C ATOM 322 CD ARG A 19 -23.806 -10.289 12.944 1.00 0.00 C ATOM 323 NE ARG A 19 -23.933 -8.905 12.394 1.00 0.00 N ATOM 324 CZ ARG A 19 -24.519 -7.964 13.091 1.00 0.00 C ATOM 325 NH1 ARG A 19 -25.005 -8.218 14.278 1.00 0.00 N ATOM 326 NH2 ARG A 19 -24.618 -6.760 12.597 1.00 0.00 N ATOM 0 H ARG A 19 -26.148 -12.142 8.964 1.00 0.00 H new ATOM 0 HA ARG A 19 -23.219 -11.710 9.154 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -24.888 -10.362 10.498 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -25.433 -11.838 11.269 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -23.201 -12.239 12.224 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -22.521 -10.905 11.314 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -24.746 -10.599 13.400 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -23.049 -10.313 13.728 1.00 0.00 H new ATOM 0 HE ARG A 19 -23.560 -8.692 11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -24.930 -9.157 14.670 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -25.459 -7.477 14.812 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -24.240 -6.556 11.672 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -25.074 -6.024 13.136 1.00 0.00 H new ATOM 340 N ASP A 20 -24.673 -14.522 9.735 1.00 0.00 N ATOM 341 CA ASP A 20 -24.444 -15.943 10.136 1.00 0.00 C ATOM 342 C ASP A 20 -23.636 -16.660 9.052 1.00 0.00 C ATOM 343 O ASP A 20 -23.484 -17.864 9.075 1.00 0.00 O ATOM 344 CB ASP A 20 -25.802 -16.633 10.312 1.00 0.00 C ATOM 345 CG ASP A 20 -25.606 -18.001 10.964 1.00 0.00 C ATOM 346 OD1 ASP A 20 -24.467 -18.361 11.208 1.00 0.00 O ATOM 347 OD2 ASP A 20 -26.601 -18.663 11.218 1.00 0.00 O ATOM 0 H ASP A 20 -25.551 -14.350 9.245 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.888 -15.978 11.073 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -26.456 -16.017 10.928 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.290 -16.748 9.344 1.00 0.00 H new ATOM 352 N GLU A 21 -23.104 -15.926 8.106 1.00 0.00 N ATOM 353 CA GLU A 21 -22.289 -16.559 7.015 1.00 0.00 C ATOM 354 C GLU A 21 -20.805 -16.353 7.296 1.00 0.00 C ATOM 355 O GLU A 21 -20.309 -15.244 7.348 1.00 0.00 O ATOM 356 CB GLU A 21 -22.641 -15.929 5.661 1.00 0.00 C ATOM 357 CG GLU A 21 -24.059 -16.339 5.243 1.00 0.00 C ATOM 358 CD GLU A 21 -24.116 -17.852 5.008 1.00 0.00 C ATOM 359 OE1 GLU A 21 -23.071 -18.437 4.777 1.00 0.00 O ATOM 360 OE2 GLU A 21 -25.205 -18.397 5.065 1.00 0.00 O ATOM 0 H GLU A 21 -23.198 -14.912 8.040 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.511 -17.626 6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -22.572 -14.843 5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.924 -16.248 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -24.772 -16.055 6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -24.347 -15.810 4.335 1.00 0.00 H new ATOM 367 N LYS A 22 -20.095 -17.430 7.473 1.00 0.00 N ATOM 368 CA LYS A 22 -18.636 -17.345 7.749 1.00 0.00 C ATOM 369 C LYS A 22 -17.877 -17.188 6.440 1.00 0.00 C ATOM 370 O LYS A 22 -18.228 -17.759 5.427 1.00 0.00 O ATOM 371 CB LYS A 22 -18.166 -18.613 8.474 1.00 0.00 C ATOM 372 CG LYS A 22 -16.648 -18.558 8.720 1.00 0.00 C ATOM 373 CD LYS A 22 -16.315 -17.376 9.644 1.00 0.00 C ATOM 374 CE LYS A 22 -14.931 -17.573 10.258 1.00 0.00 C ATOM 375 NZ LYS A 22 -14.604 -16.407 11.128 1.00 0.00 N ATOM 0 H LYS A 22 -20.469 -18.378 7.438 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.441 -16.481 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.691 -18.713 9.424 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -18.413 -19.492 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.309 -19.491 9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.120 -18.451 7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.344 -16.443 9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.064 -17.296 10.432 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.908 -18.494 10.841 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.183 -17.675 9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.661 -16.540 11.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.610 -15.537 10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.312 -16.330 11.886 1.00 0.00 H new ATOM 389 N TRP A 23 -16.829 -16.415 6.461 1.00 0.00 N ATOM 390 CA TRP A 23 -16.016 -16.188 5.229 1.00 0.00 C ATOM 391 C TRP A 23 -14.728 -17.000 5.297 1.00 0.00 C ATOM 392 O TRP A 23 -14.424 -17.634 6.286 1.00 0.00 O ATOM 393 CB TRP A 23 -15.658 -14.704 5.122 1.00 0.00 C ATOM 394 CG TRP A 23 -16.876 -13.861 5.352 1.00 0.00 C ATOM 395 CD1 TRP A 23 -18.156 -14.261 5.165 1.00 0.00 C ATOM 396 CD2 TRP A 23 -16.944 -12.476 5.805 1.00 0.00 C ATOM 397 NE1 TRP A 23 -19.002 -13.211 5.473 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.303 -12.091 5.872 1.00 0.00 C ATOM 399 CE3 TRP A 23 -15.968 -11.527 6.160 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -18.682 -10.810 6.277 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -16.345 -10.237 6.568 1.00 0.00 C ATOM 402 CH2 TRP A 23 -17.699 -9.880 6.625 1.00 0.00 C ATOM 0 H TRP A 23 -16.494 -15.923 7.289 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.597 -16.498 4.360 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -14.890 -14.454 5.854 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.241 -14.493 4.137 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.466 -15.240 4.830 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -20.019 -13.259 5.412 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -14.922 -11.792 6.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.727 -10.540 6.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -15.588 -9.516 6.839 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -17.983 -8.886 6.938 1.00 0.00 H new ATOM 413 N GLU A 24 -13.971 -16.979 4.232 1.00 0.00 N ATOM 414 CA GLU A 24 -12.686 -17.743 4.180 1.00 0.00 C ATOM 415 C GLU A 24 -11.516 -16.768 4.219 1.00 0.00 C ATOM 416 O GLU A 24 -11.401 -15.872 3.409 1.00 0.00 O ATOM 417 CB GLU A 24 -12.636 -18.563 2.890 1.00 0.00 C ATOM 418 CG GLU A 24 -13.684 -19.676 2.963 1.00 0.00 C ATOM 419 CD GLU A 24 -13.681 -20.477 1.659 1.00 0.00 C ATOM 420 OE1 GLU A 24 -12.890 -20.154 0.790 1.00 0.00 O ATOM 421 OE2 GLU A 24 -14.468 -21.402 1.553 1.00 0.00 O ATOM 0 H GLU A 24 -14.190 -16.458 3.383 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.622 -18.415 5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.828 -17.922 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.642 -18.990 2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.471 -20.334 3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.671 -19.248 3.135 1.00 0.00 H new ATOM 428 N CYS A 25 -10.656 -16.943 5.177 1.00 0.00 N ATOM 429 CA CYS A 25 -9.482 -16.042 5.330 1.00 0.00 C ATOM 430 C CYS A 25 -8.363 -16.462 4.390 1.00 0.00 C ATOM 431 O CYS A 25 -8.004 -17.618 4.299 1.00 0.00 O ATOM 432 CB CYS A 25 -8.982 -16.107 6.775 1.00 0.00 C ATOM 433 SG CYS A 25 -7.941 -14.667 7.111 1.00 0.00 S ATOM 0 H CYS A 25 -10.717 -17.685 5.874 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.783 -15.024 5.084 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -9.827 -16.129 7.464 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.416 -17.025 6.936 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.676 -13.595 7.130 1.00 0.00 H new ATOM 439 N GLU A 26 -7.801 -15.509 3.700 1.00 0.00 N ATOM 440 CA GLU A 26 -6.681 -15.798 2.755 1.00 0.00 C ATOM 441 C GLU A 26 -5.488 -14.926 3.136 1.00 0.00 C ATOM 442 O GLU A 26 -5.564 -13.714 3.156 1.00 0.00 O ATOM 443 CB GLU A 26 -7.126 -15.488 1.327 1.00 0.00 C ATOM 444 CG GLU A 26 -6.114 -16.082 0.347 1.00 0.00 C ATOM 445 CD GLU A 26 -6.233 -17.608 0.346 1.00 0.00 C ATOM 446 OE1 GLU A 26 -7.159 -18.114 0.960 1.00 0.00 O ATOM 447 OE2 GLU A 26 -5.390 -18.247 -0.262 1.00 0.00 O ATOM 0 H GLU A 26 -8.073 -14.527 3.750 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.399 -16.849 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.116 -15.904 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.201 -14.410 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.292 -15.693 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.103 -15.786 0.629 1.00 0.00 H new ATOM 454 N SER A 27 -4.390 -15.549 3.452 1.00 0.00 N ATOM 455 CA SER A 27 -3.169 -14.793 3.859 1.00 0.00 C ATOM 456 C SER A 27 -2.205 -14.678 2.683 1.00 0.00 C ATOM 457 O SER A 27 -1.794 -15.654 2.091 1.00 0.00 O ATOM 458 CB SER A 27 -2.485 -15.526 5.013 1.00 0.00 C ATOM 459 OG SER A 27 -1.508 -14.673 5.593 1.00 0.00 O ATOM 0 H SER A 27 -4.282 -16.563 3.446 1.00 0.00 H new ATOM 0 HA SER A 27 -3.457 -13.791 4.177 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.221 -15.818 5.762 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.017 -16.442 4.652 1.00 0.00 H new ATOM 0 HG SER A 27 -1.067 -15.137 6.335 1.00 0.00 H new ATOM 465 N ILE A 28 -1.843 -13.470 2.356 1.00 0.00 N ATOM 466 CA ILE A 28 -0.895 -13.227 1.230 1.00 0.00 C ATOM 467 C ILE A 28 -0.087 -11.963 1.504 1.00 0.00 C ATOM 468 O ILE A 28 -0.517 -11.077 2.214 1.00 0.00 O ATOM 469 CB ILE A 28 -1.668 -13.076 -0.079 1.00 0.00 C ATOM 470 CG1 ILE A 28 -2.702 -11.946 0.045 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.381 -14.389 -0.400 1.00 0.00 C ATOM 472 CD1 ILE A 28 -3.380 -11.722 -1.311 1.00 0.00 C ATOM 0 H ILE A 28 -2.168 -12.626 2.828 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.216 -14.076 1.144 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.971 -12.831 -0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.447 -12.202 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.216 -11.028 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.934 -14.284 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.646 -15.187 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.073 -14.634 0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.113 -10.920 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.629 -11.447 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.880 -12.639 -1.624 1.00 0.00 H new ATOM 484 N GLU A 29 1.083 -11.880 0.938 1.00 0.00 N ATOM 485 CA GLU A 29 1.952 -10.684 1.150 1.00 0.00 C ATOM 486 C GLU A 29 1.870 -9.772 -0.070 1.00 0.00 C ATOM 487 O GLU A 29 2.107 -10.183 -1.189 1.00 0.00 O ATOM 488 CB GLU A 29 3.398 -11.140 1.352 1.00 0.00 C ATOM 489 CG GLU A 29 3.454 -12.151 2.500 1.00 0.00 C ATOM 490 CD GLU A 29 3.009 -11.485 3.799 1.00 0.00 C ATOM 491 OE1 GLU A 29 3.048 -10.267 3.861 1.00 0.00 O ATOM 492 OE2 GLU A 29 2.634 -12.206 4.708 1.00 0.00 O ATOM 0 H GLU A 29 1.481 -12.596 0.330 1.00 0.00 H new ATOM 0 HA GLU A 29 1.615 -10.139 2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.781 -11.591 0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.034 -10.283 1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.811 -13.002 2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.468 -12.537 2.607 1.00 0.00 H new ATOM 499 N GLU A 30 1.531 -8.532 0.149 1.00 0.00 N ATOM 500 CA GLU A 30 1.420 -7.558 -0.983 1.00 0.00 C ATOM 501 C GLU A 30 1.955 -6.192 -0.556 1.00 0.00 C ATOM 502 O GLU A 30 1.977 -5.847 0.609 1.00 0.00 O ATOM 503 CB GLU A 30 -0.043 -7.426 -1.407 1.00 0.00 C ATOM 504 CG GLU A 30 -0.489 -8.726 -2.087 1.00 0.00 C ATOM 505 CD GLU A 30 -1.960 -8.626 -2.504 1.00 0.00 C ATOM 506 OE1 GLU A 30 -2.561 -7.593 -2.258 1.00 0.00 O ATOM 507 OE2 GLU A 30 -2.460 -9.587 -3.068 1.00 0.00 O ATOM 0 H GLU A 30 1.324 -8.145 1.070 1.00 0.00 H new ATOM 0 HA GLU A 30 2.010 -7.924 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.669 -7.222 -0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.162 -6.585 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.132 -8.920 -2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.352 -9.567 -1.407 1.00 0.00 H new ATOM 514 N VAL A 31 2.393 -5.422 -1.510 1.00 0.00 N ATOM 515 CA VAL A 31 2.951 -4.069 -1.223 1.00 0.00 C ATOM 516 C VAL A 31 1.822 -3.090 -0.916 1.00 0.00 C ATOM 517 O VAL A 31 0.797 -3.067 -1.566 1.00 0.00 O ATOM 518 CB VAL A 31 3.746 -3.581 -2.437 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.520 -2.316 -2.062 1.00 0.00 C ATOM 520 CG2 VAL A 31 4.730 -4.670 -2.873 1.00 0.00 C ATOM 0 H VAL A 31 2.388 -5.677 -2.498 1.00 0.00 H new ATOM 0 HA VAL A 31 3.609 -4.128 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 31 3.062 -3.360 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.087 -1.967 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.820 -1.541 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.205 -2.538 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.297 -4.324 -3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.415 -4.890 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.180 -5.573 -3.138 1.00 0.00 H new ATOM 530 N ALA A 32 2.012 -2.285 0.087 1.00 0.00 N ATOM 531 CA ALA A 32 0.973 -1.295 0.489 1.00 0.00 C ATOM 532 C ALA A 32 0.602 -0.408 -0.702 1.00 0.00 C ATOM 533 O ALA A 32 -0.556 -0.140 -0.944 1.00 0.00 O ATOM 534 CB ALA A 32 1.538 -0.405 1.604 1.00 0.00 C ATOM 0 H ALA A 32 2.858 -2.269 0.657 1.00 0.00 H new ATOM 0 HA ALA A 32 0.087 -1.828 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.785 0.323 1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.809 -1.023 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.422 0.117 1.239 1.00 0.00 H new ATOM 540 N ASP A 33 1.574 0.059 -1.432 1.00 0.00 N ATOM 541 CA ASP A 33 1.283 0.956 -2.590 1.00 0.00 C ATOM 542 C ASP A 33 0.484 0.202 -3.653 1.00 0.00 C ATOM 543 O ASP A 33 0.089 0.764 -4.654 1.00 0.00 O ATOM 544 CB ASP A 33 2.607 1.453 -3.192 1.00 0.00 C ATOM 545 CG ASP A 33 3.485 0.266 -3.603 1.00 0.00 C ATOM 546 OD1 ASP A 33 2.971 -0.838 -3.668 1.00 0.00 O ATOM 547 OD2 ASP A 33 4.660 0.488 -3.856 1.00 0.00 O ATOM 0 H ASP A 33 2.562 -0.141 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 33 0.694 1.806 -2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.406 2.083 -4.059 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.135 2.070 -2.465 1.00 0.00 H new ATOM 552 N ASP A 34 0.231 -1.060 -3.441 1.00 0.00 N ATOM 553 CA ASP A 34 -0.555 -1.854 -4.437 1.00 0.00 C ATOM 554 C ASP A 34 -2.025 -1.874 -4.015 1.00 0.00 C ATOM 555 O ASP A 34 -2.907 -2.044 -4.828 1.00 0.00 O ATOM 556 CB ASP A 34 -0.020 -3.286 -4.485 1.00 0.00 C ATOM 557 CG ASP A 34 -0.673 -4.035 -5.646 1.00 0.00 C ATOM 558 OD1 ASP A 34 -1.589 -3.488 -6.238 1.00 0.00 O ATOM 559 OD2 ASP A 34 -0.244 -5.141 -5.929 1.00 0.00 O ATOM 0 H ASP A 34 0.535 -1.581 -2.618 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.462 -1.400 -5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.063 -3.277 -4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.230 -3.796 -3.545 1.00 0.00 H new ATOM 564 N ILE A 35 -2.291 -1.691 -2.745 1.00 0.00 N ATOM 565 CA ILE A 35 -3.704 -1.684 -2.246 1.00 0.00 C ATOM 566 C ILE A 35 -4.006 -0.315 -1.643 1.00 0.00 C ATOM 567 O ILE A 35 -5.146 0.033 -1.415 1.00 0.00 O ATOM 568 CB ILE A 35 -3.878 -2.767 -1.176 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.757 -2.669 -0.135 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.834 -4.142 -1.841 1.00 0.00 C ATOM 571 CD1 ILE A 35 -3.058 -3.621 1.025 1.00 0.00 C ATOM 0 H ILE A 35 -1.584 -1.545 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.388 -1.885 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.837 -2.625 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.800 -2.923 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.674 -1.646 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.957 -4.916 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.638 -4.218 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.875 -4.274 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.262 -3.553 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.007 -3.346 1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.119 -4.643 0.651 1.00 0.00 H new ATOM 583 N LEU A 36 -2.986 0.470 -1.402 1.00 0.00 N ATOM 584 CA LEU A 36 -3.181 1.838 -0.825 1.00 0.00 C ATOM 585 C LEU A 36 -2.689 2.879 -1.837 1.00 0.00 C ATOM 586 O LEU A 36 -1.517 3.203 -1.878 1.00 0.00 O ATOM 587 CB LEU A 36 -2.379 1.968 0.470 1.00 0.00 C ATOM 588 CG LEU A 36 -3.077 1.169 1.589 1.00 0.00 C ATOM 589 CD1 LEU A 36 -2.045 0.726 2.627 1.00 0.00 C ATOM 590 CD2 LEU A 36 -4.132 2.054 2.270 1.00 0.00 C ATOM 0 H LEU A 36 -2.014 0.219 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.237 2.000 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.365 1.596 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.296 3.017 0.755 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.558 0.291 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.542 0.162 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.295 0.097 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.562 1.603 3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.625 1.489 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.649 2.932 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.872 2.370 1.534 1.00 0.00 H new ATOM 602 N PRO A 37 -3.574 3.399 -2.651 1.00 0.00 N ATOM 603 CA PRO A 37 -3.218 4.417 -3.683 1.00 0.00 C ATOM 604 C PRO A 37 -2.442 5.597 -3.098 1.00 0.00 C ATOM 605 O PRO A 37 -2.566 5.925 -1.935 1.00 0.00 O ATOM 606 CB PRO A 37 -4.579 4.870 -4.237 1.00 0.00 C ATOM 607 CG PRO A 37 -5.507 3.728 -3.970 1.00 0.00 C ATOM 608 CD PRO A 37 -5.009 3.067 -2.688 1.00 0.00 C ATOM 0 HA PRO A 37 -2.559 4.005 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.922 5.780 -3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.518 5.088 -5.303 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.533 4.078 -3.854 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.503 3.021 -4.800 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.531 3.452 -1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.169 1.989 -2.706 1.00 0.00 H new ATOM 616 N ASP A 38 -1.630 6.222 -3.908 1.00 0.00 N ATOM 617 CA ASP A 38 -0.811 7.377 -3.437 1.00 0.00 C ATOM 618 C ASP A 38 -1.679 8.321 -2.599 1.00 0.00 C ATOM 619 O ASP A 38 -1.181 9.177 -1.897 1.00 0.00 O ATOM 620 CB ASP A 38 -0.266 8.145 -4.652 1.00 0.00 C ATOM 621 CG ASP A 38 0.810 7.311 -5.355 1.00 0.00 C ATOM 622 OD1 ASP A 38 1.186 6.284 -4.814 1.00 0.00 O ATOM 623 OD2 ASP A 38 1.240 7.716 -6.422 1.00 0.00 O ATOM 0 H ASP A 38 -1.498 5.978 -4.889 1.00 0.00 H new ATOM 0 HA ASP A 38 0.015 7.006 -2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.077 8.368 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.152 9.100 -4.332 1.00 0.00 H new ATOM 628 N GLN A 39 -2.974 8.164 -2.669 1.00 0.00 N ATOM 629 CA GLN A 39 -3.893 9.042 -1.886 1.00 0.00 C ATOM 630 C GLN A 39 -3.645 8.852 -0.389 1.00 0.00 C ATOM 631 O GLN A 39 -3.667 9.798 0.371 1.00 0.00 O ATOM 632 CB GLN A 39 -5.349 8.669 -2.204 1.00 0.00 C ATOM 633 CG GLN A 39 -6.296 9.578 -1.416 1.00 0.00 C ATOM 634 CD GLN A 39 -7.743 9.328 -1.850 1.00 0.00 C ATOM 635 OE1 GLN A 39 -7.990 8.777 -2.904 1.00 0.00 O ATOM 636 NE2 GLN A 39 -8.720 9.715 -1.074 1.00 0.00 N ATOM 0 H GLN A 39 -3.439 7.459 -3.240 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.708 10.082 -2.155 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.536 8.771 -3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.532 7.626 -1.947 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.190 9.389 -0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.033 10.623 -1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.515 10.178 -0.188 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.688 9.554 -1.354 1.00 0.00 H new ATOM 645 N TYR A 40 -3.415 7.639 0.043 1.00 0.00 N ATOM 646 CA TYR A 40 -3.169 7.379 1.499 1.00 0.00 C ATOM 647 C TYR A 40 -1.703 7.010 1.709 1.00 0.00 C ATOM 648 O TYR A 40 -1.310 6.601 2.780 1.00 0.00 O ATOM 649 CB TYR A 40 -4.056 6.224 1.966 1.00 0.00 C ATOM 650 CG TYR A 40 -5.504 6.635 1.859 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.200 6.456 0.658 1.00 0.00 C ATOM 652 CD2 TYR A 40 -6.150 7.198 2.966 1.00 0.00 C ATOM 653 CE1 TYR A 40 -7.542 6.841 0.564 1.00 0.00 C ATOM 654 CE2 TYR A 40 -7.492 7.584 2.872 1.00 0.00 C ATOM 655 CZ TYR A 40 -8.189 7.404 1.671 1.00 0.00 C ATOM 656 OH TYR A 40 -9.512 7.784 1.578 1.00 0.00 O ATOM 0 H TYR A 40 -3.386 6.811 -0.551 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.404 8.275 2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.871 5.339 1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.816 5.959 2.996 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.702 6.021 -0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.613 7.335 3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.079 6.704 -0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.990 8.020 3.725 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.807 8.155 2.436 1.00 0.00 H new ATOM 666 N VAL A 41 -0.886 7.159 0.698 1.00 0.00 N ATOM 667 CA VAL A 41 0.569 6.826 0.838 1.00 0.00 C ATOM 668 C VAL A 41 1.402 7.969 0.253 1.00 0.00 C ATOM 669 O VAL A 41 2.276 7.765 -0.567 1.00 0.00 O ATOM 670 CB VAL A 41 0.867 5.521 0.093 1.00 0.00 C ATOM 671 CG1 VAL A 41 2.207 4.961 0.567 1.00 0.00 C ATOM 672 CG2 VAL A 41 -0.239 4.506 0.394 1.00 0.00 C ATOM 0 H VAL A 41 -1.163 7.498 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 41 0.823 6.698 1.890 1.00 0.00 H new ATOM 0 HB VAL A 41 0.910 5.713 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.421 4.032 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.996 5.685 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.161 4.766 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.032 3.575 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.275 4.315 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.198 4.905 0.064 1.00 0.00 H new ATOM 682 N ARG A 42 1.137 9.176 0.682 1.00 0.00 N ATOM 683 CA ARG A 42 1.902 10.353 0.172 1.00 0.00 C ATOM 684 C ARG A 42 3.360 10.255 0.635 1.00 0.00 C ATOM 685 O ARG A 42 3.739 10.776 1.666 1.00 0.00 O ATOM 686 CB ARG A 42 1.270 11.644 0.715 1.00 0.00 C ATOM 687 CG ARG A 42 -0.108 11.849 0.082 1.00 0.00 C ATOM 688 CD ARG A 42 -0.754 13.113 0.664 1.00 0.00 C ATOM 689 NE ARG A 42 -2.102 13.312 0.052 1.00 0.00 N ATOM 690 CZ ARG A 42 -2.871 14.299 0.441 1.00 0.00 C ATOM 691 NH1 ARG A 42 -2.476 15.126 1.374 1.00 0.00 N ATOM 692 NH2 ARG A 42 -4.043 14.456 -0.109 1.00 0.00 N ATOM 0 H ARG A 42 0.417 9.398 1.370 1.00 0.00 H new ATOM 0 HA ARG A 42 1.872 10.366 -0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.178 11.587 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.913 12.496 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.013 11.941 -1.000 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.741 10.983 0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.844 13.022 1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.123 13.980 0.468 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.427 12.674 -0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.560 15.006 1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.084 15.891 1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.355 13.813 -0.837 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.647 15.222 0.188 1.00 0.00 H new ATOM 706 N LEU A 43 4.174 9.587 -0.138 1.00 0.00 N ATOM 707 CA LEU A 43 5.616 9.427 0.212 1.00 0.00 C ATOM 708 C LEU A 43 5.731 8.862 1.628 1.00 0.00 C ATOM 709 O LEU A 43 6.798 8.800 2.206 1.00 0.00 O ATOM 710 CB LEU A 43 6.319 10.792 0.125 1.00 0.00 C ATOM 711 CG LEU A 43 6.626 11.122 -1.341 1.00 0.00 C ATOM 712 CD1 LEU A 43 5.327 11.129 -2.154 1.00 0.00 C ATOM 713 CD2 LEU A 43 7.285 12.501 -1.423 1.00 0.00 C ATOM 0 H LEU A 43 3.896 9.138 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 43 6.093 8.739 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.685 11.567 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.242 10.774 0.705 1.00 0.00 H new ATOM 0 HG LEU A 43 7.300 10.368 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.550 11.364 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.856 10.147 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.649 11.881 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.504 12.738 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.609 13.252 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.212 12.496 -0.849 1.00 0.00 H new ATOM 725 N GLY A 44 4.625 8.451 2.186 1.00 0.00 N ATOM 726 CA GLY A 44 4.622 7.889 3.568 1.00 0.00 C ATOM 727 C GLY A 44 5.640 6.754 3.695 1.00 0.00 C ATOM 728 O GLY A 44 6.163 6.260 2.715 1.00 0.00 O ATOM 0 H GLY A 44 3.710 8.481 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.856 8.675 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.626 7.520 3.813 1.00 0.00 H new ATOM 732 N PRO A 45 5.915 6.344 4.908 1.00 0.00 N ATOM 733 CA PRO A 45 6.884 5.246 5.191 1.00 0.00 C ATOM 734 C PRO A 45 6.330 3.879 4.774 1.00 0.00 C ATOM 735 O PRO A 45 7.044 2.898 4.720 1.00 0.00 O ATOM 736 CB PRO A 45 7.087 5.317 6.714 1.00 0.00 C ATOM 737 CG PRO A 45 5.841 5.959 7.248 1.00 0.00 C ATOM 738 CD PRO A 45 5.320 6.886 6.145 1.00 0.00 C ATOM 0 HA PRO A 45 7.813 5.362 4.633 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.231 4.324 7.139 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.971 5.903 6.966 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.096 5.206 7.505 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.054 6.520 8.158 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.231 6.879 6.100 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.625 7.919 6.315 1.00 0.00 H new ATOM 746 N LEU A 46 5.061 3.814 4.483 1.00 0.00 N ATOM 747 CA LEU A 46 4.442 2.520 4.071 1.00 0.00 C ATOM 748 C LEU A 46 4.717 2.284 2.587 1.00 0.00 C ATOM 749 O LEU A 46 4.424 1.235 2.050 1.00 0.00 O ATOM 750 CB LEU A 46 2.922 2.595 4.295 1.00 0.00 C ATOM 751 CG LEU A 46 2.619 2.775 5.789 1.00 0.00 C ATOM 752 CD1 LEU A 46 1.110 2.959 5.979 1.00 0.00 C ATOM 753 CD2 LEU A 46 3.088 1.535 6.574 1.00 0.00 C ATOM 0 H LEU A 46 4.420 4.607 4.513 1.00 0.00 H new ATOM 0 HA LEU A 46 4.863 1.705 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.503 3.426 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.447 1.686 3.926 1.00 0.00 H new ATOM 0 HG LEU A 46 3.148 3.653 6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.890 3.087 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.779 3.841 5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.586 2.080 5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.869 1.671 7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.565 0.652 6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.162 1.404 6.439 1.00 0.00 H new ATOM 765 N SER A 47 5.273 3.259 1.928 1.00 0.00 N ATOM 766 CA SER A 47 5.566 3.124 0.470 1.00 0.00 C ATOM 767 C SER A 47 6.560 1.989 0.212 1.00 0.00 C ATOM 768 O SER A 47 7.576 1.860 0.868 1.00 0.00 O ATOM 769 CB SER A 47 6.151 4.444 -0.045 1.00 0.00 C ATOM 770 OG SER A 47 7.557 4.457 0.169 1.00 0.00 O ATOM 0 H SER A 47 5.541 4.154 2.338 1.00 0.00 H new ATOM 0 HA SER A 47 4.639 2.891 -0.054 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.933 4.561 -1.107 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.687 5.285 0.470 1.00 0.00 H new ATOM 0 HG SER A 47 7.804 3.722 0.768 1.00 0.00 H new ATOM 776 N ASN A 48 6.251 1.175 -0.761 1.00 0.00 N ATOM 777 CA ASN A 48 7.125 0.025 -1.140 1.00 0.00 C ATOM 778 C ASN A 48 7.400 -0.859 0.073 1.00 0.00 C ATOM 779 O ASN A 48 8.452 -1.452 0.186 1.00 0.00 O ATOM 780 CB ASN A 48 8.448 0.539 -1.718 1.00 0.00 C ATOM 781 CG ASN A 48 8.165 1.525 -2.854 1.00 0.00 C ATOM 782 OD1 ASN A 48 8.801 2.554 -2.952 1.00 0.00 O ATOM 783 ND2 ASN A 48 7.235 1.251 -3.729 1.00 0.00 N ATOM 0 H ASN A 48 5.405 1.261 -1.325 1.00 0.00 H new ATOM 0 HA ASN A 48 6.609 -0.567 -1.896 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.032 1.026 -0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.043 -0.296 -2.088 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.045 1.901 -4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.699 0.387 -3.650 1.00 0.00 H new ATOM 790 N LYS A 49 6.459 -0.965 0.976 1.00 0.00 N ATOM 791 CA LYS A 49 6.658 -1.826 2.191 1.00 0.00 C ATOM 792 C LYS A 49 5.791 -3.080 2.090 1.00 0.00 C ATOM 793 O LYS A 49 4.639 -3.033 1.711 1.00 0.00 O ATOM 794 CB LYS A 49 6.283 -1.043 3.450 1.00 0.00 C ATOM 795 CG LYS A 49 6.576 -1.904 4.682 1.00 0.00 C ATOM 796 CD LYS A 49 6.281 -1.109 5.956 1.00 0.00 C ATOM 797 CE LYS A 49 6.590 -1.973 7.182 1.00 0.00 C ATOM 798 NZ LYS A 49 8.047 -2.282 7.219 1.00 0.00 N ATOM 0 H LYS A 49 5.556 -0.492 0.928 1.00 0.00 H new ATOM 0 HA LYS A 49 7.706 -2.119 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.850 -0.113 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.228 -0.771 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.967 -2.808 4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.619 -2.222 4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.883 -0.200 5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.236 -0.800 5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.295 -1.450 8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.013 -2.897 7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.315 -2.577 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.256 -3.050 6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.588 -1.435 6.954 1.00 0.00 H new ATOM 812 N ILE A 50 6.354 -4.203 2.437 1.00 0.00 N ATOM 813 CA ILE A 50 5.599 -5.487 2.375 1.00 0.00 C ATOM 814 C ILE A 50 4.783 -5.663 3.651 1.00 0.00 C ATOM 815 O ILE A 50 5.310 -5.697 4.744 1.00 0.00 O ATOM 816 CB ILE A 50 6.588 -6.649 2.228 1.00 0.00 C ATOM 817 CG1 ILE A 50 7.615 -6.305 1.139 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.827 -7.915 1.834 1.00 0.00 C ATOM 819 CD1 ILE A 50 6.894 -5.865 -0.140 1.00 0.00 C ATOM 0 H ILE A 50 7.316 -4.288 2.765 1.00 0.00 H new ATOM 0 HA ILE A 50 4.925 -5.474 1.519 1.00 0.00 H new ATOM 0 HB ILE A 50 7.103 -6.816 3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.274 -5.510 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.243 -7.172 0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.528 -8.743 1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.095 -8.155 2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.314 -7.751 0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.629 -5.623 -0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.254 -6.673 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.285 -4.985 0.070 1.00 0.00 H new ATOM 831 N LEU A 51 3.489 -5.769 3.503 1.00 0.00 N ATOM 832 CA LEU A 51 2.580 -5.938 4.682 1.00 0.00 C ATOM 833 C LEU A 51 1.759 -7.217 4.534 1.00 0.00 C ATOM 834 O LEU A 51 1.418 -7.640 3.439 1.00 0.00 O ATOM 835 CB LEU A 51 1.641 -4.735 4.775 1.00 0.00 C ATOM 836 CG LEU A 51 2.463 -3.445 4.902 1.00 0.00 C ATOM 837 CD1 LEU A 51 1.516 -2.243 4.951 1.00 0.00 C ATOM 838 CD2 LEU A 51 3.310 -3.488 6.188 1.00 0.00 C ATOM 0 H LEU A 51 3.013 -5.746 2.601 1.00 0.00 H new ATOM 0 HA LEU A 51 3.181 -6.006 5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.007 -4.688 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.980 -4.843 5.635 1.00 0.00 H new ATOM 0 HG LEU A 51 3.126 -3.354 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.097 -1.325 5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.924 -2.209 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.852 -2.338 5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.891 -2.570 6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.654 -3.583 7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.986 -4.342 6.150 1.00 0.00 H new ATOM 850 N GLN A 52 1.445 -7.831 5.645 1.00 0.00 N ATOM 851 CA GLN A 52 0.651 -9.093 5.628 1.00 0.00 C ATOM 852 C GLN A 52 -0.811 -8.762 5.336 1.00 0.00 C ATOM 853 O GLN A 52 -1.541 -8.294 6.185 1.00 0.00 O ATOM 854 CB GLN A 52 0.772 -9.779 6.994 1.00 0.00 C ATOM 855 CG GLN A 52 2.246 -10.097 7.271 1.00 0.00 C ATOM 856 CD GLN A 52 2.375 -10.864 8.590 1.00 0.00 C ATOM 857 OE1 GLN A 52 2.233 -12.071 8.620 1.00 0.00 O ATOM 858 NE2 GLN A 52 2.646 -10.213 9.687 1.00 0.00 N ATOM 0 H GLN A 52 1.709 -7.506 6.575 1.00 0.00 H new ATOM 0 HA GLN A 52 1.027 -9.763 4.855 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.374 -9.132 7.776 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.181 -10.695 7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.659 -10.689 6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.823 -9.174 7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.765 -9.200 9.663 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.739 -10.717 10.569 1.00 0.00 H new ATOM 867 N THR A 53 -1.232 -9.001 4.125 1.00 0.00 N ATOM 868 CA THR A 53 -2.642 -8.699 3.729 1.00 0.00 C ATOM 869 C THR A 53 -3.521 -9.935 3.914 1.00 0.00 C ATOM 870 O THR A 53 -3.269 -10.987 3.364 1.00 0.00 O ATOM 871 CB THR A 53 -2.670 -8.263 2.259 1.00 0.00 C ATOM 872 OG1 THR A 53 -1.998 -7.017 2.127 1.00 0.00 O ATOM 873 CG2 THR A 53 -4.119 -8.111 1.793 1.00 0.00 C ATOM 0 H THR A 53 -0.655 -9.397 3.383 1.00 0.00 H new ATOM 0 HA THR A 53 -3.027 -7.898 4.360 1.00 0.00 H new ATOM 0 HB THR A 53 -2.173 -9.016 1.648 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.012 -6.736 1.188 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.135 -7.801 0.748 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.636 -9.065 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.620 -7.359 2.402 1.00 0.00 H new ATOM 881 N ASN A 54 -4.570 -9.788 4.678 1.00 0.00 N ATOM 882 CA ASN A 54 -5.521 -10.920 4.922 1.00 0.00 C ATOM 883 C ASN A 54 -6.841 -10.609 4.218 1.00 0.00 C ATOM 884 O ASN A 54 -7.715 -9.967 4.765 1.00 0.00 O ATOM 885 CB ASN A 54 -5.770 -11.065 6.426 1.00 0.00 C ATOM 886 CG ASN A 54 -4.498 -11.568 7.116 1.00 0.00 C ATOM 887 OD1 ASN A 54 -3.540 -12.089 6.403 1.00 0.00 O flip ATOM 888 ND2 ASN A 54 -4.375 -11.480 8.322 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.815 -8.919 5.152 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.100 -11.849 4.537 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.069 -10.106 6.849 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.590 -11.761 6.603 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.123 -11.073 8.883 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.523 -11.814 8.773 1.00 0.00 H new ATOM 895 N THR A 55 -6.982 -11.060 3.003 1.00 0.00 N ATOM 896 CA THR A 55 -8.233 -10.799 2.229 1.00 0.00 C ATOM 897 C THR A 55 -9.233 -11.929 2.454 1.00 0.00 C ATOM 898 O THR A 55 -8.935 -13.092 2.274 1.00 0.00 O ATOM 899 CB THR A 55 -7.903 -10.706 0.739 1.00 0.00 C ATOM 900 OG1 THR A 55 -6.906 -9.712 0.540 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.165 -10.325 -0.035 1.00 0.00 C ATOM 0 H THR A 55 -6.277 -11.605 2.506 1.00 0.00 H new ATOM 0 HA THR A 55 -8.670 -9.860 2.569 1.00 0.00 H new ATOM 0 HB THR A 55 -7.534 -11.668 0.383 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.691 -9.651 -0.414 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.933 -10.258 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.931 -11.084 0.122 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.531 -9.361 0.318 1.00 0.00 H new ATOM 909 N TYR A 56 -10.428 -11.578 2.836 1.00 0.00 N ATOM 910 CA TYR A 56 -11.489 -12.598 3.080 1.00 0.00 C ATOM 911 C TYR A 56 -12.368 -12.710 1.842 1.00 0.00 C ATOM 912 O TYR A 56 -12.723 -11.726 1.225 1.00 0.00 O ATOM 913 CB TYR A 56 -12.350 -12.170 4.271 1.00 0.00 C ATOM 914 CG TYR A 56 -11.508 -12.157 5.524 1.00 0.00 C ATOM 915 CD1 TYR A 56 -10.717 -11.043 5.826 1.00 0.00 C ATOM 916 CD2 TYR A 56 -11.515 -13.265 6.380 1.00 0.00 C ATOM 917 CE1 TYR A 56 -9.936 -11.034 6.988 1.00 0.00 C ATOM 918 CE2 TYR A 56 -10.734 -13.254 7.542 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.942 -12.140 7.843 1.00 0.00 C ATOM 920 OH TYR A 56 -9.171 -12.133 8.987 1.00 0.00 O ATOM 0 H TYR A 56 -10.720 -10.613 2.992 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.025 -13.561 3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -12.770 -11.180 4.092 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.189 -12.855 4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.709 -10.190 5.163 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.122 -14.127 6.144 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.329 -10.173 7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.743 -14.105 8.206 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.491 -12.837 8.928 1.00 0.00 H new ATOM 930 N TYR A 57 -12.717 -13.911 1.475 1.00 0.00 N ATOM 931 CA TYR A 57 -13.576 -14.122 0.271 1.00 0.00 C ATOM 932 C TYR A 57 -14.654 -15.155 0.579 1.00 0.00 C ATOM 933 O TYR A 57 -14.383 -16.246 1.045 1.00 0.00 O ATOM 934 CB TYR A 57 -12.709 -14.600 -0.899 1.00 0.00 C ATOM 935 CG TYR A 57 -12.134 -15.972 -0.610 1.00 0.00 C ATOM 936 CD1 TYR A 57 -11.117 -16.123 0.342 1.00 0.00 C ATOM 937 CD2 TYR A 57 -12.610 -17.094 -1.306 1.00 0.00 C ATOM 938 CE1 TYR A 57 -10.584 -17.392 0.604 1.00 0.00 C ATOM 939 CE2 TYR A 57 -12.074 -18.361 -1.043 1.00 0.00 C ATOM 940 CZ TYR A 57 -11.060 -18.509 -0.091 1.00 0.00 C ATOM 941 OH TYR A 57 -10.532 -19.758 0.167 1.00 0.00 O ATOM 0 H TYR A 57 -12.443 -14.765 1.961 1.00 0.00 H new ATOM 0 HA TYR A 57 -14.056 -13.182 -0.000 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.305 -14.634 -1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -11.900 -13.890 -1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -10.744 -15.261 0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.390 -16.980 -2.045 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -9.805 -17.508 1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -12.444 -19.225 -1.576 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.247 -20.428 0.136 1.00 0.00 H new ATOM 951 N SER A 58 -15.883 -14.800 0.321 1.00 0.00 N ATOM 952 CA SER A 58 -17.023 -15.728 0.581 1.00 0.00 C ATOM 953 C SER A 58 -18.027 -15.660 -0.570 1.00 0.00 C ATOM 954 O SER A 58 -17.984 -14.777 -1.406 1.00 0.00 O ATOM 955 CB SER A 58 -17.709 -15.349 1.891 1.00 0.00 C ATOM 956 OG SER A 58 -18.624 -14.287 1.663 1.00 0.00 O ATOM 0 H SER A 58 -16.150 -13.894 -0.064 1.00 0.00 H new ATOM 0 HA SER A 58 -16.642 -16.746 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.234 -16.212 2.301 1.00 0.00 H new ATOM 0 HB3 SER A 58 -16.965 -15.049 2.629 1.00 0.00 H new ATOM 0 HG SER A 58 -19.526 -14.652 1.547 1.00 0.00 H new ATOM 962 N ASP A 59 -18.931 -16.598 -0.609 1.00 0.00 N ATOM 963 CA ASP A 59 -19.960 -16.633 -1.688 1.00 0.00 C ATOM 964 C ASP A 59 -20.802 -15.357 -1.628 1.00 0.00 C ATOM 965 O ASP A 59 -21.071 -14.728 -2.631 1.00 0.00 O ATOM 966 CB ASP A 59 -20.879 -17.844 -1.468 1.00 0.00 C ATOM 967 CG ASP A 59 -20.141 -19.137 -1.825 1.00 0.00 C ATOM 968 OD1 ASP A 59 -19.044 -19.046 -2.349 1.00 0.00 O ATOM 969 OD2 ASP A 59 -20.691 -20.198 -1.572 1.00 0.00 O ATOM 0 H ASP A 59 -19.002 -17.354 0.072 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.469 -16.707 -2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.206 -17.878 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.775 -17.746 -2.081 1.00 0.00 H new ATOM 974 N THR A 60 -21.215 -14.978 -0.450 1.00 0.00 N ATOM 975 CA THR A 60 -22.040 -13.744 -0.291 1.00 0.00 C ATOM 976 C THR A 60 -21.211 -12.515 -0.666 1.00 0.00 C ATOM 977 O THR A 60 -21.676 -11.625 -1.351 1.00 0.00 O ATOM 978 CB THR A 60 -22.488 -13.620 1.171 1.00 0.00 C ATOM 979 OG1 THR A 60 -23.050 -14.852 1.603 1.00 0.00 O ATOM 980 CG2 THR A 60 -23.531 -12.511 1.291 1.00 0.00 C ATOM 0 H THR A 60 -21.015 -15.474 0.418 1.00 0.00 H new ATOM 0 HA THR A 60 -22.911 -13.807 -0.943 1.00 0.00 H new ATOM 0 HB THR A 60 -21.628 -13.378 1.795 1.00 0.00 H new ATOM 0 HG1 THR A 60 -23.334 -14.772 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.850 -12.422 2.330 1.00 0.00 H new ATOM 0 HG22 THR A 60 -23.097 -11.566 0.963 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.391 -12.752 0.667 1.00 0.00 H new ATOM 988 N LEU A 61 -19.992 -12.453 -0.202 1.00 0.00 N ATOM 989 CA LEU A 61 -19.121 -11.278 -0.507 1.00 0.00 C ATOM 990 C LEU A 61 -18.888 -11.176 -2.010 1.00 0.00 C ATOM 991 O LEU A 61 -18.931 -10.105 -2.581 1.00 0.00 O ATOM 992 CB LEU A 61 -17.766 -11.450 0.196 1.00 0.00 C ATOM 993 CG LEU A 61 -17.933 -11.295 1.715 1.00 0.00 C ATOM 994 CD1 LEU A 61 -16.618 -11.665 2.412 1.00 0.00 C ATOM 995 CD2 LEU A 61 -18.308 -9.839 2.062 1.00 0.00 C ATOM 0 H LEU A 61 -19.558 -13.170 0.379 1.00 0.00 H new ATOM 0 HA LEU A 61 -19.613 -10.372 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.351 -12.432 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.058 -10.710 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 61 -18.729 -11.957 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -16.734 -11.556 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.360 -12.698 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.824 -11.005 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -18.424 -9.740 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -17.520 -9.169 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -19.246 -9.578 1.571 1.00 0.00 H new ATOM 1007 N HIS A 62 -18.642 -12.281 -2.649 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.402 -12.267 -4.119 1.00 0.00 C ATOM 1009 C HIS A 62 -19.659 -11.771 -4.829 1.00 0.00 C ATOM 1010 O HIS A 62 -19.594 -11.013 -5.778 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.078 -13.687 -4.592 1.00 0.00 C ATOM 1012 CG HIS A 62 -17.822 -13.676 -6.072 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -16.758 -12.986 -6.629 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -18.482 -14.262 -7.123 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -16.808 -13.170 -7.960 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -17.840 -13.941 -8.316 1.00 0.00 N ATOM 0 H HIS A 62 -18.596 -13.203 -2.214 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.567 -11.606 -4.349 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -17.204 -14.067 -4.064 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -18.906 -14.357 -4.360 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -19.365 -14.878 -7.038 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -16.100 -12.746 -8.657 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -18.101 -14.232 -9.258 1.00 0.00 H new ATOM 1024 N LYS A 63 -20.803 -12.197 -4.373 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.083 -11.764 -5.001 1.00 0.00 C ATOM 1026 C LYS A 63 -22.266 -10.256 -4.812 1.00 0.00 C ATOM 1027 O LYS A 63 -22.729 -9.560 -5.694 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.250 -12.512 -4.345 1.00 0.00 C ATOM 1029 CG LYS A 63 -24.550 -12.148 -5.058 1.00 0.00 C ATOM 1030 CD LYS A 63 -25.710 -12.960 -4.479 1.00 0.00 C ATOM 1031 CE LYS A 63 -27.005 -12.600 -5.213 1.00 0.00 C ATOM 1032 NZ LYS A 63 -28.129 -13.411 -4.667 1.00 0.00 N ATOM 0 H LYS A 63 -20.907 -12.834 -3.583 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.059 -11.991 -6.067 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.082 -13.588 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -23.316 -12.251 -3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -24.750 -11.082 -4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -24.456 -12.344 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -25.507 -14.026 -4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.815 -12.755 -3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -27.219 -11.538 -5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -26.894 -12.786 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -29.008 -13.166 -5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -27.925 -14.422 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -28.240 -13.212 -3.652 1.00 0.00 H new ATOM 1046 N SER A 64 -21.911 -9.751 -3.662 1.00 0.00 N ATOM 1047 CA SER A 64 -22.060 -8.288 -3.392 1.00 0.00 C ATOM 1048 C SER A 64 -20.886 -7.530 -4.018 1.00 0.00 C ATOM 1049 O SER A 64 -20.817 -6.318 -3.958 1.00 0.00 O ATOM 1050 CB SER A 64 -22.090 -8.050 -1.879 1.00 0.00 C ATOM 1051 OG SER A 64 -20.857 -8.471 -1.308 1.00 0.00 O ATOM 0 H SER A 64 -21.521 -10.292 -2.890 1.00 0.00 H new ATOM 0 HA SER A 64 -22.991 -7.927 -3.830 1.00 0.00 H new ATOM 0 HB2 SER A 64 -22.258 -6.994 -1.670 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.917 -8.600 -1.430 1.00 0.00 H new ATOM 0 HG SER A 64 -20.365 -9.016 -1.957 1.00 0.00 H new ATOM 1057 N ASN A 65 -19.967 -8.251 -4.612 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.775 -7.621 -5.261 1.00 0.00 C ATOM 1059 C ASN A 65 -17.977 -6.824 -4.230 1.00 0.00 C ATOM 1060 O ASN A 65 -17.421 -5.788 -4.533 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.216 -6.695 -6.405 1.00 0.00 C ATOM 1062 CG ASN A 65 -19.741 -7.527 -7.578 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -19.495 -8.716 -7.659 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -20.456 -6.944 -8.500 1.00 0.00 N ATOM 0 H ASN A 65 -19.993 -9.269 -4.675 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.145 -8.411 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.992 -6.015 -6.055 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.377 -6.081 -6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -20.809 -7.485 -9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -20.662 -5.947 -8.432 1.00 0.00 H new ATOM 1071 N ILE A 66 -17.908 -7.310 -3.018 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.141 -6.593 -1.947 1.00 0.00 C ATOM 1073 C ILE A 66 -15.910 -7.413 -1.570 1.00 0.00 C ATOM 1074 O ILE A 66 -15.992 -8.597 -1.311 1.00 0.00 O ATOM 1075 CB ILE A 66 -18.030 -6.415 -0.717 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -19.337 -5.716 -1.126 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.295 -5.565 0.321 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -19.038 -4.408 -1.871 1.00 0.00 C ATOM 0 H ILE A 66 -18.352 -8.178 -2.719 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.829 -5.615 -2.314 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.262 -7.390 -0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -19.926 -6.377 -1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.937 -5.508 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -17.927 -5.436 1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.369 -6.063 0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.064 -4.589 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -19.975 -3.927 -2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -18.469 -3.742 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.458 -4.625 -2.768 1.00 0.00 H new ATOM 1090 N TYR A 67 -14.766 -6.779 -1.547 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.491 -7.486 -1.199 1.00 0.00 C ATOM 1092 C TYR A 67 -12.873 -6.860 0.062 1.00 0.00 C ATOM 1093 O TYR A 67 -12.032 -5.987 -0.026 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.499 -7.350 -2.354 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.112 -7.909 -3.617 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -13.874 -7.084 -4.453 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -12.914 -9.255 -3.953 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -14.439 -7.604 -5.625 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -13.478 -9.775 -5.125 1.00 0.00 C ATOM 1100 CZ TYR A 67 -14.240 -8.949 -5.960 1.00 0.00 C ATOM 1101 OH TYR A 67 -14.797 -9.462 -7.115 1.00 0.00 O ATOM 0 H TYR A 67 -14.657 -5.787 -1.757 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.709 -8.538 -1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.235 -6.302 -2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.577 -7.882 -2.119 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.026 -6.047 -4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.326 -9.892 -3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.028 -6.968 -6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.325 -10.812 -5.384 1.00 0.00 H new ATOM 0 HH TYR A 67 -14.562 -10.410 -7.199 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.275 -7.309 1.231 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.733 -6.791 2.517 1.00 0.00 C ATOM 1113 C PRO A 68 -11.351 -7.362 2.829 1.00 0.00 C ATOM 1114 O PRO A 68 -11.050 -8.494 2.517 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.771 -7.225 3.560 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.430 -8.442 2.980 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.291 -8.352 1.452 1.00 0.00 C ATOM 0 HA PRO A 68 -12.587 -5.711 2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.298 -7.452 4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.498 -6.434 3.744 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.959 -9.350 3.356 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.480 -8.485 3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.979 -9.305 1.026 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.239 -8.088 0.983 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.510 -6.575 3.447 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.139 -7.056 3.784 1.00 0.00 C ATOM 1127 C PHE A 69 -8.598 -6.322 5.013 1.00 0.00 C ATOM 1128 O PHE A 69 -9.005 -5.217 5.338 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.206 -6.802 2.598 1.00 0.00 C ATOM 1130 CG PHE A 69 -8.085 -5.314 2.345 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -8.999 -4.668 1.502 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -7.054 -4.580 2.949 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -8.882 -3.293 1.264 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -6.939 -3.204 2.711 1.00 0.00 C ATOM 1135 CZ PHE A 69 -7.853 -2.560 1.867 1.00 0.00 C ATOM 0 H PHE A 69 -10.715 -5.618 3.733 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.188 -8.123 4.002 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.223 -7.226 2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.591 -7.301 1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.794 -5.231 1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.348 -5.076 3.598 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.587 -2.797 0.614 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.146 -2.640 3.178 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.764 -1.500 1.682 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.661 -6.941 5.682 1.00 0.00 N ATOM 1146 CA ILE A 70 -7.031 -6.328 6.893 1.00 0.00 C ATOM 1147 C ILE A 70 -5.517 -6.490 6.800 1.00 0.00 C ATOM 1148 O ILE A 70 -5.013 -7.521 6.400 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.534 -7.013 8.164 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -9.043 -6.785 8.308 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.809 -6.407 9.370 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.591 -7.676 9.427 1.00 0.00 C ATOM 0 H ILE A 70 -7.298 -7.862 5.437 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.297 -5.272 6.936 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.337 -8.084 8.110 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.243 -5.737 8.532 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.547 -7.012 7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.159 -6.887 10.284 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.735 -6.564 9.266 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.016 -5.338 9.420 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.664 -7.513 9.529 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.404 -8.722 9.184 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.096 -7.427 10.366 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.789 -5.471 7.160 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.295 -5.531 7.086 1.00 0.00 C ATOM 1166 C LEU A 71 -2.710 -5.709 8.482 1.00 0.00 C ATOM 1167 O LEU A 71 -3.073 -5.032 9.423 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.765 -4.232 6.476 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.493 -3.939 5.157 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -2.818 -2.756 4.457 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.442 -5.173 4.244 1.00 0.00 C ATOM 0 H LEU A 71 -5.165 -4.588 7.506 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.002 -6.377 6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.911 -3.407 7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.693 -4.314 6.299 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.534 -3.695 5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.333 -2.546 3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.864 -1.878 5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.776 -3.001 4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.961 -4.956 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.403 -5.426 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.926 -6.014 4.741 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.794 -6.631 8.604 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.138 -6.909 9.917 1.00 0.00 C ATOM 1185 C TYR A 72 0.372 -6.718 9.792 1.00 0.00 C ATOM 1186 O TYR A 72 0.982 -7.059 8.794 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.424 -8.354 10.333 1.00 0.00 C ATOM 1188 CG TYR A 72 -2.900 -8.524 10.601 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -3.437 -8.113 11.825 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.731 -9.092 9.628 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.805 -8.273 12.079 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -5.098 -9.253 9.882 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.635 -8.841 11.107 1.00 0.00 C ATOM 1194 OH TYR A 72 -6.983 -8.997 11.357 1.00 0.00 O ATOM 0 H TYR A 72 -1.466 -7.215 7.835 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.532 -6.222 10.665 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.106 -9.039 9.547 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.851 -8.606 11.226 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.797 -7.672 12.575 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.317 -9.406 8.681 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.219 -7.958 13.025 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.738 -9.695 9.133 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.157 -8.860 12.312 1.00 0.00 H new ATOM 1204 N TYR A 73 0.971 -6.178 10.816 1.00 0.00 N ATOM 1205 CA TYR A 73 2.445 -5.953 10.813 1.00 0.00 C ATOM 1206 C TYR A 73 2.983 -6.082 12.242 1.00 0.00 C ATOM 1207 O TYR A 73 2.651 -5.312 13.123 1.00 0.00 O ATOM 1208 CB TYR A 73 2.753 -4.563 10.256 1.00 0.00 C ATOM 1209 CG TYR A 73 4.249 -4.359 10.217 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.007 -4.953 9.200 1.00 0.00 C ATOM 1211 CD2 TYR A 73 4.878 -3.580 11.195 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.395 -4.765 9.162 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.264 -3.393 11.157 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.023 -3.986 10.141 1.00 0.00 C ATOM 1215 OH TYR A 73 8.390 -3.802 10.104 1.00 0.00 O ATOM 0 H TYR A 73 0.496 -5.879 11.667 1.00 0.00 H new ATOM 0 HA TYR A 73 2.928 -6.699 10.182 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.334 -4.459 9.255 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.287 -3.798 10.877 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.522 -5.555 8.446 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.293 -3.123 11.979 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.980 -5.221 8.377 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.748 -2.791 11.912 1.00 0.00 H new ATOM 0 HH TYR A 73 8.664 -3.235 10.855 1.00 0.00 H new ATOM 1225 N GLN A 74 3.814 -7.063 12.459 1.00 0.00 N ATOM 1226 CA GLN A 74 4.412 -7.306 13.808 1.00 0.00 C ATOM 1227 C GLN A 74 3.324 -7.254 14.879 1.00 0.00 C ATOM 1228 O GLN A 74 3.348 -6.437 15.780 1.00 0.00 O ATOM 1229 CB GLN A 74 5.494 -6.259 14.085 1.00 0.00 C ATOM 1230 CG GLN A 74 6.320 -6.695 15.297 1.00 0.00 C ATOM 1231 CD GLN A 74 7.463 -5.705 15.528 1.00 0.00 C ATOM 1232 OE1 GLN A 74 7.827 -4.960 14.640 1.00 0.00 O ATOM 1233 NE2 GLN A 74 8.051 -5.666 16.692 1.00 0.00 N ATOM 0 H GLN A 74 4.113 -7.724 11.742 1.00 0.00 H new ATOM 0 HA GLN A 74 4.868 -8.296 13.830 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.138 -6.145 13.213 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.037 -5.287 14.272 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.686 -6.745 16.182 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.721 -7.696 15.135 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.746 -6.291 17.438 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.815 -5.011 16.856 1.00 0.00 H new ATOM 1242 N LYS A 75 2.370 -8.139 14.778 1.00 0.00 N ATOM 1243 CA LYS A 75 1.256 -8.187 15.766 1.00 0.00 C ATOM 1244 C LYS A 75 0.727 -6.779 16.007 1.00 0.00 C ATOM 1245 O LYS A 75 0.865 -6.223 17.078 1.00 0.00 O ATOM 1246 CB LYS A 75 1.751 -8.810 17.074 1.00 0.00 C ATOM 1247 CG LYS A 75 0.555 -9.312 17.893 1.00 0.00 C ATOM 1248 CD LYS A 75 1.050 -10.056 19.145 1.00 0.00 C ATOM 1249 CE LYS A 75 1.443 -11.495 18.786 1.00 0.00 C ATOM 1250 NZ LYS A 75 1.662 -12.273 20.033 1.00 0.00 N ATOM 0 H LYS A 75 2.315 -8.842 14.041 1.00 0.00 H new ATOM 0 HA LYS A 75 0.446 -8.802 15.375 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.430 -9.635 16.861 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.314 -8.074 17.648 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.075 -8.472 18.185 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.060 -9.975 17.285 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.906 -9.534 19.573 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.269 -10.064 19.905 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.659 -11.959 18.188 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.349 -11.496 18.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.928 -13.249 19.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.424 -11.833 20.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.787 -12.282 20.595 1.00 0.00 H new ATOM 1264 N GLN A 76 0.111 -6.208 15.009 1.00 0.00 N ATOM 1265 CA GLN A 76 -0.445 -4.832 15.151 1.00 0.00 C ATOM 1266 C GLN A 76 -1.256 -4.457 13.908 1.00 0.00 C ATOM 1267 O GLN A 76 -0.890 -4.761 12.788 1.00 0.00 O ATOM 1268 CB GLN A 76 0.697 -3.834 15.332 1.00 0.00 C ATOM 1269 CG GLN A 76 0.120 -2.429 15.501 1.00 0.00 C ATOM 1270 CD GLN A 76 1.235 -1.462 15.903 1.00 0.00 C ATOM 1271 OE1 GLN A 76 2.283 -1.880 16.353 1.00 0.00 O ATOM 1272 NE2 GLN A 76 1.054 -0.180 15.758 1.00 0.00 N ATOM 0 H GLN A 76 -0.032 -6.638 14.095 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.098 -4.805 16.023 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.294 -4.101 16.204 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.362 -3.865 14.469 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.342 -2.100 14.570 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.662 -2.435 16.261 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.174 0.171 15.380 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.792 0.472 16.022 1.00 0.00 H new ATOM 1281 N LEU A 77 -2.362 -3.796 14.112 1.00 0.00 N ATOM 1282 CA LEU A 77 -3.234 -3.382 12.974 1.00 0.00 C ATOM 1283 C LEU A 77 -2.666 -2.137 12.314 1.00 0.00 C ATOM 1284 O LEU A 77 -2.339 -1.170 12.965 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.651 -3.093 13.500 1.00 0.00 C ATOM 1286 CG LEU A 77 -5.412 -4.415 13.687 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.730 -5.044 12.312 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -4.557 -5.384 14.517 1.00 0.00 C ATOM 0 H LEU A 77 -2.704 -3.521 15.033 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.275 -4.184 12.237 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.596 -2.557 14.447 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.185 -2.450 12.800 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.349 -4.218 14.209 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.269 -5.980 12.456 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.345 -4.357 11.731 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.800 -5.239 11.778 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.096 -6.322 14.650 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.617 -5.576 13.999 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.350 -4.943 15.492 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.559 -2.165 11.014 1.00 0.00 N ATOM 1301 CA ILE A 78 -2.016 -0.994 10.259 1.00 0.00 C ATOM 1302 C ILE A 78 -3.142 -0.339 9.464 1.00 0.00 C ATOM 1303 O ILE A 78 -3.157 0.861 9.282 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.924 -1.479 9.304 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.176 -2.195 10.106 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.329 -0.285 8.557 1.00 0.00 C ATOM 1307 CD1 ILE A 78 0.748 -1.264 11.189 1.00 0.00 C ATOM 0 H ILE A 78 -2.828 -2.959 10.433 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.596 -0.266 10.954 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.353 -2.174 8.582 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.231 -3.094 10.569 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.973 -2.515 9.435 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.449 -0.632 7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.112 0.215 7.987 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.101 0.415 9.273 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.525 -1.788 11.746 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.174 -0.378 10.719 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.049 -0.966 11.870 1.00 0.00 H new ATOM 1319 N ALA A 79 -4.085 -1.106 8.989 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.204 -0.496 8.215 1.00 0.00 C ATOM 1321 C ALA A 79 -6.323 -1.510 7.981 1.00 0.00 C ATOM 1322 O ALA A 79 -6.095 -2.681 7.753 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.680 0.004 6.869 1.00 0.00 C ATOM 0 H ALA A 79 -4.130 -2.119 9.101 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.607 0.337 8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.498 0.450 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.904 0.751 7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.264 -0.832 6.307 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.538 -1.038 8.022 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.729 -1.915 7.794 1.00 0.00 C ATOM 1331 C ILE A 80 -9.644 -1.247 6.774 1.00 0.00 C ATOM 1332 O ILE A 80 -10.006 -0.099 6.921 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.494 -2.100 9.108 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.618 -2.860 10.107 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.773 -2.895 8.838 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.257 -2.811 11.497 1.00 0.00 C ATOM 0 H ILE A 80 -7.763 -0.061 8.208 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.402 -2.888 7.427 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.751 -1.125 9.523 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.500 -3.895 9.787 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.621 -2.420 10.139 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.321 -3.030 9.770 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.395 -2.353 8.126 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.515 -3.870 8.425 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.630 -3.353 12.205 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.352 -1.773 11.817 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.244 -3.271 11.460 1.00 0.00 H new ATOM 1348 N GLY A 81 -10.025 -1.958 5.746 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.925 -1.353 4.715 1.00 0.00 C ATOM 1350 C GLY A 81 -11.384 -2.409 3.707 1.00 0.00 C ATOM 1351 O GLY A 81 -11.038 -3.572 3.794 1.00 0.00 O ATOM 0 H GLY A 81 -9.755 -2.926 5.574 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.792 -0.906 5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.402 -0.551 4.195 1.00 0.00 H new ATOM 1355 N PHE A 82 -12.170 -1.991 2.750 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.686 -2.930 1.710 1.00 0.00 C ATOM 1357 C PHE A 82 -12.848 -2.194 0.383 1.00 0.00 C ATOM 1358 O PHE A 82 -12.894 -0.979 0.330 1.00 0.00 O ATOM 1359 CB PHE A 82 -14.045 -3.490 2.145 1.00 0.00 C ATOM 1360 CG PHE A 82 -15.073 -2.384 2.195 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -15.823 -2.068 1.055 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -15.288 -1.682 3.388 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -16.781 -1.048 1.106 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -16.248 -0.664 3.439 1.00 0.00 C ATOM 1365 CZ PHE A 82 -16.995 -0.348 2.299 1.00 0.00 C ATOM 0 H PHE A 82 -12.481 -1.025 2.643 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.976 -3.748 1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.367 -4.265 1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.957 -3.959 3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -15.662 -2.612 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -14.713 -1.926 4.269 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.355 -0.801 0.225 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -16.412 -0.122 4.359 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.737 0.436 2.340 1.00 0.00 H new ATOM 1375 N ILE A 83 -12.927 -2.933 -0.692 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.074 -2.316 -2.047 1.00 0.00 C ATOM 1377 C ILE A 83 -14.504 -2.503 -2.548 1.00 0.00 C ATOM 1378 O ILE A 83 -15.048 -3.591 -2.541 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.099 -2.988 -3.014 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -10.671 -2.800 -2.490 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -12.231 -2.342 -4.392 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -9.693 -3.629 -3.327 1.00 0.00 C ATOM 0 H ILE A 83 -12.896 -3.953 -0.690 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.855 -1.250 -1.987 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.323 -4.052 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.395 -1.746 -2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.616 -3.103 -1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.537 -2.818 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -13.251 -2.467 -4.756 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.999 -1.279 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.681 -3.490 -2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.962 -4.683 -3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.739 -3.305 -4.367 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.110 -1.431 -2.978 1.00 0.00 N ATOM 1395 CA ASP A 84 -16.514 -1.485 -3.483 1.00 0.00 C ATOM 1396 C ASP A 84 -16.524 -1.592 -5.008 1.00 0.00 C ATOM 1397 O ASP A 84 -15.974 -0.769 -5.717 1.00 0.00 O ATOM 1398 CB ASP A 84 -17.255 -0.215 -3.055 1.00 0.00 C ATOM 1399 CG ASP A 84 -18.753 -0.395 -3.301 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -19.106 -1.272 -4.072 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -19.525 0.346 -2.713 1.00 0.00 O ATOM 0 H ASP A 84 -14.686 -0.504 -3.002 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.010 -2.361 -3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -17.070 -0.011 -2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -16.883 0.643 -3.616 1.00 0.00 H new ATOM 1406 N GLU A 85 -17.162 -2.615 -5.500 1.00 0.00 N ATOM 1407 CA GLU A 85 -17.265 -2.843 -6.971 1.00 0.00 C ATOM 1408 C GLU A 85 -15.873 -2.962 -7.583 1.00 0.00 C ATOM 1409 O GLU A 85 -15.405 -4.039 -7.881 1.00 0.00 O ATOM 1410 CB GLU A 85 -18.009 -1.676 -7.623 1.00 0.00 C ATOM 1411 CG GLU A 85 -18.286 -1.996 -9.097 1.00 0.00 C ATOM 1412 CD GLU A 85 -19.336 -3.105 -9.204 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -19.894 -3.474 -8.183 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -19.568 -3.566 -10.311 1.00 0.00 O ATOM 0 H GLU A 85 -17.629 -3.321 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.813 -3.769 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -18.947 -1.492 -7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.416 -0.765 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -18.636 -1.102 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.365 -2.307 -9.589 1.00 0.00 H new ATOM 1421 N ASN A 86 -15.217 -1.858 -7.790 1.00 0.00 N ATOM 1422 CA ASN A 86 -13.852 -1.880 -8.397 1.00 0.00 C ATOM 1423 C ASN A 86 -12.987 -0.812 -7.726 1.00 0.00 C ATOM 1424 O ASN A 86 -11.782 -0.937 -7.652 1.00 0.00 O ATOM 1425 CB ASN A 86 -13.959 -1.578 -9.895 1.00 0.00 C ATOM 1426 CG ASN A 86 -14.573 -2.775 -10.621 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -14.589 -3.874 -10.101 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -15.081 -2.609 -11.810 1.00 0.00 N ATOM 0 H ASN A 86 -15.569 -0.928 -7.563 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.401 -2.862 -8.254 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.572 -0.691 -10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.972 -1.360 -10.303 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.492 -3.401 -12.304 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.068 -1.687 -12.246 1.00 0.00 H new ATOM 1435 N HIS A 87 -13.594 0.243 -7.233 1.00 0.00 N ATOM 1436 CA HIS A 87 -12.808 1.333 -6.562 1.00 0.00 C ATOM 1437 C HIS A 87 -13.548 1.819 -5.310 1.00 0.00 C ATOM 1438 O HIS A 87 -14.182 1.057 -4.609 1.00 0.00 O ATOM 1439 CB HIS A 87 -12.632 2.517 -7.531 1.00 0.00 C ATOM 1440 CG HIS A 87 -11.498 3.393 -7.060 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -11.707 4.658 -6.527 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -10.140 3.194 -7.027 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -10.504 5.163 -6.200 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -9.515 4.313 -6.484 1.00 0.00 N ATOM 0 H HIS A 87 -14.602 0.398 -7.266 1.00 0.00 H new ATOM 0 HA HIS A 87 -11.832 0.939 -6.278 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -12.427 2.150 -8.537 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -13.554 3.096 -7.585 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -9.633 2.304 -7.370 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.356 6.138 -5.761 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -8.516 4.453 -6.335 1.00 0.00 H new ATOM 1452 N ASP A 88 -13.445 3.090 -5.027 1.00 0.00 N ATOM 1453 CA ASP A 88 -14.105 3.678 -3.825 1.00 0.00 C ATOM 1454 C ASP A 88 -13.652 2.921 -2.579 1.00 0.00 C ATOM 1455 O ASP A 88 -14.422 2.224 -1.945 1.00 0.00 O ATOM 1456 CB ASP A 88 -15.623 3.609 -3.973 1.00 0.00 C ATOM 1457 CG ASP A 88 -16.085 4.658 -4.992 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -15.296 5.529 -5.322 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -17.222 4.572 -5.423 1.00 0.00 O ATOM 0 H ASP A 88 -12.920 3.759 -5.590 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.819 4.725 -3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.922 2.613 -4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.102 3.786 -3.010 1.00 0.00 H new ATOM 1464 N MET A 89 -12.403 3.055 -2.231 1.00 0.00 N ATOM 1465 CA MET A 89 -11.871 2.346 -1.035 1.00 0.00 C ATOM 1466 C MET A 89 -12.379 3.023 0.233 1.00 0.00 C ATOM 1467 O MET A 89 -12.431 4.231 0.332 1.00 0.00 O ATOM 1468 CB MET A 89 -10.339 2.390 -1.052 1.00 0.00 C ATOM 1469 CG MET A 89 -9.817 1.550 -2.220 1.00 0.00 C ATOM 1470 SD MET A 89 -8.007 1.587 -2.231 1.00 0.00 S ATOM 1471 CE MET A 89 -7.769 0.791 -3.840 1.00 0.00 C ATOM 0 H MET A 89 -11.723 3.630 -2.728 1.00 0.00 H new ATOM 0 HA MET A 89 -12.208 1.310 -1.054 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.995 3.420 -1.149 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.943 2.009 -0.111 1.00 0.00 H new ATOM 0 HG2 MET A 89 -10.170 0.523 -2.129 1.00 0.00 H new ATOM 0 HG3 MET A 89 -10.205 1.938 -3.162 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.703 0.710 -4.052 1.00 0.00 H new ATOM 0 HE2 MET A 89 -8.212 -0.205 -3.822 1.00 0.00 H new ATOM 0 HE3 MET A 89 -8.249 1.388 -4.616 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.750 2.237 1.204 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.265 2.790 2.495 1.00 0.00 C ATOM 1483 C ASP A 90 -12.492 2.172 3.653 1.00 0.00 C ATOM 1484 O ASP A 90 -12.559 0.983 3.901 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.752 2.469 2.630 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.280 3.044 3.945 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -14.476 3.545 4.715 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.478 2.969 4.164 1.00 0.00 O ATOM 0 H ASP A 90 -12.719 1.218 1.160 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.131 3.872 2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -15.304 2.890 1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.906 1.390 2.605 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.752 2.983 4.360 1.00 0.00 N ATOM 1494 CA PHE A 91 -10.949 2.476 5.510 1.00 0.00 C ATOM 1495 C PHE A 91 -11.676 2.770 6.818 1.00 0.00 C ATOM 1496 O PHE A 91 -11.808 3.905 7.234 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.583 3.169 5.541 1.00 0.00 C ATOM 1498 CG PHE A 91 -8.869 2.952 4.227 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.118 1.787 4.023 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -8.957 3.915 3.216 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.457 1.587 2.806 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -8.296 3.714 2.000 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.545 2.551 1.794 1.00 0.00 C ATOM 0 H PHE A 91 -11.669 3.985 4.188 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.814 1.401 5.393 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.710 4.236 5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.983 2.774 6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.049 1.044 4.804 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.535 4.813 3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.879 0.689 2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.365 4.457 1.219 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.034 2.397 0.855 1.00 0.00 H new ATOM 1513 N LEU A 92 -12.124 1.743 7.473 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.817 1.916 8.776 1.00 0.00 C ATOM 1515 C LEU A 92 -11.802 2.449 9.776 1.00 0.00 C ATOM 1516 O LEU A 92 -12.080 3.331 10.564 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.341 0.551 9.249 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.670 0.239 8.547 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -15.757 1.240 9.003 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -14.471 0.339 7.028 1.00 0.00 C ATOM 0 H LEU A 92 -12.039 0.777 7.158 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.654 2.607 8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -12.610 -0.227 9.028 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.482 0.559 10.330 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.992 -0.769 8.808 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.696 1.011 8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.894 1.162 10.081 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.447 2.254 8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -15.411 0.119 6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -14.147 1.347 6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -13.713 -0.378 6.712 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.619 1.906 9.725 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.521 2.336 10.637 1.00 0.00 C ATOM 1534 C TYR A 93 -8.239 2.422 9.809 1.00 0.00 C ATOM 1535 O TYR A 93 -7.961 1.572 8.986 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.356 1.308 11.771 1.00 0.00 C ATOM 1537 CG TYR A 93 -8.638 1.939 12.946 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -9.334 2.805 13.801 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -7.285 1.659 13.185 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -8.677 3.394 14.890 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -6.630 2.249 14.276 1.00 0.00 C ATOM 1542 CZ TYR A 93 -7.326 3.115 15.128 1.00 0.00 C ATOM 1543 OH TYR A 93 -6.681 3.696 16.201 1.00 0.00 O ATOM 0 H TYR A 93 -10.360 1.164 9.074 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.746 3.304 11.085 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.333 0.943 12.086 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.794 0.446 11.412 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.377 3.018 13.620 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.748 0.990 12.530 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.213 4.064 15.546 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.587 2.035 14.459 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.748 3.396 16.223 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.463 3.451 10.008 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.202 3.614 9.222 1.00 0.00 C ATOM 1555 C LEU A 94 -5.105 4.197 10.112 1.00 0.00 C ATOM 1556 O LEU A 94 -5.108 5.366 10.441 1.00 0.00 O ATOM 1557 CB LEU A 94 -6.476 4.551 8.039 1.00 0.00 C ATOM 1558 CG LEU A 94 -5.178 4.828 7.270 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -4.522 3.502 6.850 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -5.506 5.652 6.022 1.00 0.00 C ATOM 0 H LEU A 94 -7.647 4.192 10.685 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.868 2.645 8.852 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.213 4.102 7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.901 5.488 8.399 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.487 5.378 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.601 3.708 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.294 2.912 7.738 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.206 2.945 6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.589 5.854 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.197 5.095 5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.966 6.595 6.319 1.00 0.00 H new ATOM 1572 N HIS A 95 -4.159 3.377 10.487 1.00 0.00 N ATOM 1573 CA HIS A 95 -3.030 3.836 11.360 1.00 0.00 C ATOM 1574 C HIS A 95 -1.691 3.620 10.649 1.00 0.00 C ATOM 1575 O HIS A 95 -1.397 2.554 10.149 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.055 3.041 12.666 1.00 0.00 C ATOM 1577 CG HIS A 95 -1.964 3.534 13.574 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -0.623 3.382 13.265 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -2.000 4.166 14.793 1.00 0.00 C ATOM 1580 CE1 HIS A 95 0.090 3.909 14.278 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -0.701 4.400 15.235 1.00 0.00 N ATOM 0 H HIS A 95 -4.117 2.393 10.223 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.145 4.899 11.572 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.024 3.150 13.152 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.919 1.979 12.460 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.898 4.439 15.327 1.00 0.00 H new ATOM 0 HE1 HIS A 95 1.169 3.932 14.312 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.415 4.850 16.104 1.00 0.00 H new ATOM 1589 N ASN A 96 -0.881 4.645 10.615 1.00 0.00 N ATOM 1590 CA ASN A 96 0.456 4.559 9.950 1.00 0.00 C ATOM 1591 C ASN A 96 1.532 4.303 11.005 1.00 0.00 C ATOM 1592 O ASN A 96 1.514 4.859 12.086 1.00 0.00 O ATOM 1593 CB ASN A 96 0.751 5.879 9.231 1.00 0.00 C ATOM 1594 CG ASN A 96 -0.143 6.001 7.996 1.00 0.00 C ATOM 1595 OD1 ASN A 96 -1.251 5.504 7.980 1.00 0.00 O ATOM 1596 ND2 ASN A 96 0.296 6.647 6.952 1.00 0.00 N ATOM 0 H ASN A 96 -1.092 5.554 11.027 1.00 0.00 H new ATOM 0 HA ASN A 96 0.453 3.743 9.228 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.576 6.718 9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.800 5.919 8.938 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.291 6.735 6.123 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.226 7.065 6.965 1.00 0.00 H new ATOM 1603 N THR A 97 2.464 3.455 10.685 1.00 0.00 N ATOM 1604 CA THR A 97 3.560 3.117 11.637 1.00 0.00 C ATOM 1605 C THR A 97 4.218 4.390 12.160 1.00 0.00 C ATOM 1606 O THR A 97 4.978 4.349 13.104 1.00 0.00 O ATOM 1607 CB THR A 97 4.612 2.257 10.922 1.00 0.00 C ATOM 1608 OG1 THR A 97 5.064 2.927 9.752 1.00 0.00 O ATOM 1609 CG2 THR A 97 3.997 0.913 10.534 1.00 0.00 C ATOM 0 H THR A 97 2.516 2.972 9.788 1.00 0.00 H new ATOM 0 HA THR A 97 3.139 2.564 12.477 1.00 0.00 H new ATOM 0 HB THR A 97 5.456 2.091 11.592 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.736 2.377 9.299 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.745 0.304 10.027 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.656 0.396 11.431 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.151 1.079 9.867 1.00 0.00 H new ATOM 1617 N VAL A 98 3.951 5.516 11.548 1.00 0.00 N ATOM 1618 CA VAL A 98 4.586 6.798 12.005 1.00 0.00 C ATOM 1619 C VAL A 98 3.522 7.841 12.351 1.00 0.00 C ATOM 1620 O VAL A 98 3.306 8.142 13.507 1.00 0.00 O ATOM 1621 CB VAL A 98 5.473 7.338 10.882 1.00 0.00 C ATOM 1622 CG1 VAL A 98 5.987 8.731 11.256 1.00 0.00 C ATOM 1623 CG2 VAL A 98 6.658 6.393 10.678 1.00 0.00 C ATOM 0 H VAL A 98 3.321 5.607 10.751 1.00 0.00 H new ATOM 0 HA VAL A 98 5.178 6.599 12.898 1.00 0.00 H new ATOM 0 HB VAL A 98 4.894 7.405 9.961 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.619 9.113 10.454 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.142 9.403 11.404 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.567 8.670 12.177 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.293 6.774 9.878 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.235 6.329 11.600 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.291 5.402 10.410 1.00 0.00 H new ATOM 1633 N MET A 99 2.883 8.421 11.364 1.00 0.00 N ATOM 1634 CA MET A 99 1.855 9.481 11.639 1.00 0.00 C ATOM 1635 C MET A 99 0.484 9.043 11.109 1.00 0.00 C ATOM 1636 O MET A 99 0.178 9.210 9.943 1.00 0.00 O ATOM 1637 CB MET A 99 2.276 10.791 10.964 1.00 0.00 C ATOM 1638 CG MET A 99 2.552 10.584 9.456 1.00 0.00 C ATOM 1639 SD MET A 99 1.173 11.256 8.491 1.00 0.00 S ATOM 1640 CE MET A 99 1.982 11.205 6.877 1.00 0.00 C ATOM 0 H MET A 99 3.027 8.208 10.377 1.00 0.00 H new ATOM 0 HA MET A 99 1.783 9.633 12.716 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.492 11.537 11.093 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.171 11.181 11.449 1.00 0.00 H new ATOM 0 HG2 MET A 99 3.482 11.078 9.174 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.677 9.523 9.241 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.299 11.582 6.116 1.00 0.00 H new ATOM 0 HE2 MET A 99 2.879 11.825 6.900 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.257 10.177 6.640 1.00 0.00 H new ATOM 1650 N PRO A 100 -0.341 8.488 11.963 1.00 0.00 N ATOM 1651 CA PRO A 100 -1.712 8.037 11.585 1.00 0.00 C ATOM 1652 C PRO A 100 -2.521 9.128 10.892 1.00 0.00 C ATOM 1653 O PRO A 100 -2.461 10.288 11.244 1.00 0.00 O ATOM 1654 CB PRO A 100 -2.347 7.655 12.933 1.00 0.00 C ATOM 1655 CG PRO A 100 -1.193 7.301 13.809 1.00 0.00 C ATOM 1656 CD PRO A 100 -0.057 8.218 13.383 1.00 0.00 C ATOM 0 HA PRO A 100 -1.686 7.218 10.866 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -2.921 8.483 13.349 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.033 6.815 12.824 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.440 7.447 14.861 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.917 6.253 13.689 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.042 9.136 13.970 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.914 7.740 13.514 1.00 0.00 H new ATOM 1664 N LEU A 101 -3.277 8.749 9.904 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.113 9.729 9.156 1.00 0.00 C ATOM 1666 C LEU A 101 -5.514 9.725 9.747 1.00 0.00 C ATOM 1667 O LEU A 101 -5.912 10.638 10.440 1.00 0.00 O ATOM 1668 CB LEU A 101 -4.205 9.302 7.685 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.802 9.108 7.104 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -2.912 8.628 5.651 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -2.038 10.438 7.148 1.00 0.00 C ATOM 0 H LEU A 101 -3.354 7.786 9.576 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.669 10.722 9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.773 8.375 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.743 10.057 7.112 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.266 8.364 7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.913 8.490 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.452 7.682 5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.449 9.371 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.039 10.298 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.573 11.184 6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.958 10.778 8.181 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.264 8.691 9.468 1.00 0.00 N ATOM 1684 CA LEU A 102 -7.663 8.590 9.989 1.00 0.00 C ATOM 1685 C LEU A 102 -7.779 7.409 10.943 1.00 0.00 C ATOM 1686 O LEU A 102 -7.314 6.318 10.679 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.632 8.403 8.813 1.00 0.00 C ATOM 1688 CG LEU A 102 -8.471 9.561 7.815 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -9.416 9.353 6.625 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -8.805 10.892 8.507 1.00 0.00 C ATOM 0 H LEU A 102 -5.965 7.902 8.895 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.914 9.505 10.526 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.436 7.453 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.658 8.366 9.178 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.441 9.586 7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.299 10.176 5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.175 8.413 6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.446 9.323 6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.690 11.710 7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.833 10.867 8.868 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.129 11.044 9.349 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.406 7.637 12.057 1.00 0.00 N ATOM 1703 CA ASP A 103 -8.588 6.561 13.066 1.00 0.00 C ATOM 1704 C ASP A 103 -9.826 6.867 13.909 1.00 0.00 C ATOM 1705 O ASP A 103 -9.730 7.337 15.024 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.347 6.484 13.956 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.138 7.808 14.696 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -7.835 8.760 14.385 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.277 7.845 15.560 1.00 0.00 O ATOM 0 H ASP A 103 -8.807 8.538 12.317 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.724 5.602 12.567 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.457 5.672 14.675 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.470 6.257 13.350 1.00 0.00 H new ATOM 1714 N GLN A 104 -10.990 6.592 13.377 1.00 0.00 N ATOM 1715 CA GLN A 104 -12.263 6.848 14.129 1.00 0.00 C ATOM 1716 C GLN A 104 -12.893 5.516 14.537 1.00 0.00 C ATOM 1717 O GLN A 104 -13.302 4.715 13.714 1.00 0.00 O ATOM 1718 CB GLN A 104 -13.239 7.626 13.239 1.00 0.00 C ATOM 1719 CG GLN A 104 -12.734 9.061 13.043 1.00 0.00 C ATOM 1720 CD GLN A 104 -12.789 9.820 14.372 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -11.879 9.737 15.173 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -13.824 10.567 14.640 1.00 0.00 N ATOM 0 H GLN A 104 -11.117 6.197 12.445 1.00 0.00 H new ATOM 0 HA GLN A 104 -12.043 7.433 15.022 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.338 7.131 12.273 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.229 7.638 13.694 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -11.712 9.047 12.664 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -13.344 9.571 12.297 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -14.589 10.638 13.969 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -13.868 11.080 15.520 1.00 0.00 H new ATOM 1731 N ARG A 105 -12.980 5.287 15.813 1.00 0.00 N ATOM 1732 CA ARG A 105 -13.586 4.027 16.326 1.00 0.00 C ATOM 1733 C ARG A 105 -15.071 4.002 15.970 1.00 0.00 C ATOM 1734 O ARG A 105 -15.622 2.972 15.632 1.00 0.00 O ATOM 1735 CB ARG A 105 -13.431 3.966 17.851 1.00 0.00 C ATOM 1736 CG ARG A 105 -13.975 2.631 18.364 1.00 0.00 C ATOM 1737 CD ARG A 105 -13.769 2.538 19.878 1.00 0.00 C ATOM 1738 NE ARG A 105 -14.196 1.186 20.357 1.00 0.00 N ATOM 1739 CZ ARG A 105 -13.352 0.186 20.379 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -12.116 0.344 19.982 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -13.750 -0.981 20.807 1.00 0.00 N ATOM 0 H ARG A 105 -12.652 5.928 16.536 1.00 0.00 H new ATOM 0 HA ARG A 105 -13.083 3.172 15.875 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.382 4.073 18.126 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -13.968 4.793 18.316 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -15.035 2.543 18.125 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.467 1.805 17.867 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.721 2.709 20.124 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.346 3.313 20.383 1.00 0.00 H new ATOM 0 HE ARG A 105 -15.156 1.042 20.670 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.799 1.255 19.650 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.469 -0.444 20.004 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.712 -1.108 21.121 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.099 -1.766 20.828 1.00 0.00 H new ATOM 1755 N TYR A 106 -15.727 5.129 16.066 1.00 0.00 N ATOM 1756 CA TYR A 106 -17.188 5.189 15.761 1.00 0.00 C ATOM 1757 C TYR A 106 -17.464 4.455 14.451 1.00 0.00 C ATOM 1758 O TYR A 106 -18.324 3.600 14.374 1.00 0.00 O ATOM 1759 CB TYR A 106 -17.611 6.656 15.603 1.00 0.00 C ATOM 1760 CG TYR A 106 -17.142 7.460 16.794 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -17.859 7.414 17.996 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -15.988 8.250 16.699 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -17.425 8.158 19.100 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -15.555 8.995 17.803 1.00 0.00 C ATOM 1765 CZ TYR A 106 -16.273 8.948 19.004 1.00 0.00 C ATOM 1766 OH TYR A 106 -15.844 9.679 20.094 1.00 0.00 O ATOM 0 H TYR A 106 -15.310 6.017 16.345 1.00 0.00 H new ATOM 0 HA TYR A 106 -17.747 4.723 16.572 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -17.189 7.068 14.686 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.695 6.723 15.513 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -18.747 6.804 18.072 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -15.432 8.284 15.774 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -17.979 8.122 20.026 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -14.667 9.606 17.728 1.00 0.00 H new ATOM 0 HH TYR A 106 -15.030 10.171 19.858 1.00 0.00 H new ATOM 1776 N LEU A 107 -16.731 4.779 13.425 1.00 0.00 N ATOM 1777 CA LEU A 107 -16.925 4.105 12.111 1.00 0.00 C ATOM 1778 C LEU A 107 -16.553 2.633 12.247 1.00 0.00 C ATOM 1779 O LEU A 107 -17.183 1.763 11.676 1.00 0.00 O ATOM 1780 CB LEU A 107 -16.018 4.768 11.060 1.00 0.00 C ATOM 1781 CG LEU A 107 -16.251 6.286 11.057 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -15.319 6.950 10.036 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -17.711 6.581 10.681 1.00 0.00 C ATOM 0 H LEU A 107 -15.998 5.489 13.440 1.00 0.00 H new ATOM 0 HA LEU A 107 -17.966 4.194 11.800 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -14.973 4.552 11.280 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -16.228 4.356 10.073 1.00 0.00 H new ATOM 0 HG LEU A 107 -16.042 6.683 12.050 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -15.487 8.027 10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -14.282 6.744 10.302 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -15.524 6.551 9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.876 7.658 10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -17.919 6.180 9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -18.375 6.114 11.408 1.00 0.00 H new ATOM 1795 N LEU A 108 -15.517 2.350 12.988 1.00 0.00 N ATOM 1796 CA LEU A 108 -15.076 0.939 13.158 1.00 0.00 C ATOM 1797 C LEU A 108 -16.188 0.132 13.843 1.00 0.00 C ATOM 1798 O LEU A 108 -16.504 -0.972 13.448 1.00 0.00 O ATOM 1799 CB LEU A 108 -13.804 0.915 14.035 1.00 0.00 C ATOM 1800 CG LEU A 108 -12.966 -0.328 13.711 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -11.671 -0.306 14.526 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -13.763 -1.603 14.037 1.00 0.00 C ATOM 0 H LEU A 108 -14.955 3.040 13.485 1.00 0.00 H new ATOM 0 HA LEU A 108 -14.862 0.498 12.184 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -13.215 1.816 13.861 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.080 0.913 15.090 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.723 -0.324 12.648 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.079 -1.191 14.292 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -11.100 0.589 14.278 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.910 -0.300 15.589 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.159 -2.480 13.803 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.019 -1.611 15.096 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -14.676 -1.623 13.443 1.00 0.00 H new ATOM 1814 N THR A 109 -16.778 0.678 14.871 1.00 0.00 N ATOM 1815 CA THR A 109 -17.861 -0.054 15.596 1.00 0.00 C ATOM 1816 C THR A 109 -19.208 0.214 14.917 1.00 0.00 C ATOM 1817 O THR A 109 -20.148 -0.541 15.066 1.00 0.00 O ATOM 1818 CB THR A 109 -17.918 0.433 17.048 1.00 0.00 C ATOM 1819 OG1 THR A 109 -16.699 0.108 17.704 1.00 0.00 O ATOM 1820 CG2 THR A 109 -19.085 -0.245 17.767 1.00 0.00 C ATOM 0 H THR A 109 -16.558 1.602 15.243 1.00 0.00 H new ATOM 0 HA THR A 109 -17.652 -1.124 15.575 1.00 0.00 H new ATOM 0 HB THR A 109 -18.061 1.513 17.065 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.304 -0.685 17.286 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.126 0.101 18.800 1.00 0.00 H new ATOM 0 HG22 THR A 109 -20.018 0.006 17.263 1.00 0.00 H new ATOM 0 HG23 THR A 109 -18.943 -1.326 17.752 1.00 0.00 H new ATOM 1828 N GLY A 110 -19.301 1.279 14.169 1.00 0.00 N ATOM 1829 CA GLY A 110 -20.578 1.607 13.461 1.00 0.00 C ATOM 1830 C GLY A 110 -21.633 2.050 14.476 1.00 0.00 C ATOM 1831 O GLY A 110 -22.806 2.139 14.171 1.00 0.00 O ATOM 0 H GLY A 110 -18.543 1.943 14.015 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -20.407 2.398 12.731 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.933 0.736 12.910 1.00 0.00 H new ATOM 1835 N GLY A 111 -21.218 2.324 15.681 1.00 0.00 N ATOM 1836 CA GLY A 111 -22.178 2.752 16.744 1.00 0.00 C ATOM 1837 C GLY A 111 -22.687 4.165 16.473 1.00 0.00 C ATOM 1838 O GLY A 111 -21.976 5.017 15.978 1.00 0.00 O ATOM 0 H GLY A 111 -20.245 2.270 15.981 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -23.018 2.059 16.783 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -21.690 2.716 17.718 1.00 0.00 H new ATOM 1842 N GLN A 112 -23.926 4.414 16.806 1.00 0.00 N ATOM 1843 CA GLN A 112 -24.527 5.765 16.580 1.00 0.00 C ATOM 1844 C GLN A 112 -24.357 6.614 17.845 1.00 0.00 C ATOM 1845 O GLN A 112 -25.304 6.922 18.539 1.00 0.00 O ATOM 1846 CB GLN A 112 -26.015 5.610 16.241 1.00 0.00 C ATOM 1847 CG GLN A 112 -26.577 6.971 15.825 1.00 0.00 C ATOM 1848 CD GLN A 112 -28.018 6.822 15.333 1.00 0.00 C ATOM 1849 OE1 GLN A 112 -28.463 5.731 15.034 1.00 0.00 O ATOM 1850 NE2 GLN A 112 -28.770 7.884 15.228 1.00 0.00 N ATOM 0 H GLN A 112 -24.555 3.732 17.230 1.00 0.00 H new ATOM 0 HA GLN A 112 -24.024 6.260 15.749 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -26.144 4.887 15.435 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -26.559 5.226 17.104 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -26.543 7.660 16.669 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -25.959 7.402 15.037 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -28.397 8.800 15.479 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -29.730 7.798 14.895 1.00 0.00 H new ATOM 1859 N LEU A 113 -23.142 6.998 18.133 1.00 0.00 N ATOM 1860 CA LEU A 113 -22.858 7.840 19.340 1.00 0.00 C ATOM 1861 C LEU A 113 -22.782 9.308 18.913 1.00 0.00 C ATOM 1862 O LEU A 113 -22.439 10.173 19.691 1.00 0.00 O ATOM 1863 CB LEU A 113 -21.515 7.410 19.957 1.00 0.00 C ATOM 1864 CG LEU A 113 -21.566 5.917 20.314 1.00 0.00 C ATOM 1865 CD1 LEU A 113 -20.226 5.479 20.918 1.00 0.00 C ATOM 1866 CD2 LEU A 113 -22.691 5.667 21.332 1.00 0.00 C ATOM 0 H LEU A 113 -22.320 6.762 17.577 1.00 0.00 H new ATOM 0 HA LEU A 113 -23.650 7.713 20.078 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -20.704 7.599 19.254 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -21.308 8.001 20.849 1.00 0.00 H new ATOM 0 HG LEU A 113 -21.759 5.341 19.409 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -20.269 4.419 21.169 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -19.428 5.649 20.195 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -20.027 6.058 21.820 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -22.725 4.607 21.584 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -22.501 6.248 22.234 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -23.646 5.968 20.901 1.00 0.00 H new ATOM 1878 N GLU A 114 -23.101 9.588 17.678 1.00 0.00 N ATOM 1879 CA GLU A 114 -23.046 10.994 17.176 1.00 0.00 C ATOM 1880 C GLU A 114 -23.856 11.910 18.093 1.00 0.00 C ATOM 1881 O GLU A 114 -24.954 11.595 18.504 1.00 0.00 O ATOM 1882 CB GLU A 114 -23.623 11.046 15.756 1.00 0.00 C ATOM 1883 CG GLU A 114 -22.731 10.236 14.808 1.00 0.00 C ATOM 1884 CD GLU A 114 -21.353 10.895 14.705 1.00 0.00 C ATOM 1885 OE1 GLU A 114 -21.305 12.083 14.427 1.00 0.00 O ATOM 1886 OE2 GLU A 114 -20.370 10.202 14.906 1.00 0.00 O ATOM 0 H GLU A 114 -23.400 8.898 16.989 1.00 0.00 H new ATOM 0 HA GLU A 114 -22.010 11.332 17.165 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -24.636 10.645 15.750 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -23.687 12.080 15.416 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -22.629 9.214 15.173 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -23.191 10.178 13.822 1.00 0.00 H new ATOM 1893 N HIS A 115 -23.307 13.049 18.409 1.00 0.00 N ATOM 1894 CA HIS A 115 -24.009 14.018 19.298 1.00 0.00 C ATOM 1895 C HIS A 115 -24.921 14.904 18.447 1.00 0.00 C ATOM 1896 O HIS A 115 -25.778 15.598 18.955 1.00 0.00 O ATOM 1897 CB HIS A 115 -22.971 14.897 20.008 1.00 0.00 C ATOM 1898 CG HIS A 115 -22.260 14.087 21.059 1.00 0.00 C ATOM 1899 ND1 HIS A 115 -21.159 13.298 20.768 1.00 0.00 N ATOM 1900 CD2 HIS A 115 -22.485 13.935 22.405 1.00 0.00 C ATOM 1901 CE1 HIS A 115 -20.767 12.711 21.914 1.00 0.00 C ATOM 1902 NE2 HIS A 115 -21.541 13.066 22.942 1.00 0.00 N ATOM 0 H HIS A 115 -22.389 13.354 18.085 1.00 0.00 H new ATOM 0 HA HIS A 115 -24.601 13.479 20.038 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -22.253 15.285 19.286 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -23.460 15.757 20.466 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -23.275 14.417 22.962 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -19.928 12.035 21.992 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -21.458 12.765 23.913 1.00 0.00 H new ATOM 1910 N HIS A 116 -24.735 14.881 17.153 1.00 0.00 N ATOM 1911 CA HIS A 116 -25.576 15.722 16.248 1.00 0.00 C ATOM 1912 C HIS A 116 -26.870 14.989 15.902 1.00 0.00 C ATOM 1913 O HIS A 116 -26.866 13.923 15.317 1.00 0.00 O ATOM 1914 CB HIS A 116 -24.795 16.028 14.963 1.00 0.00 C ATOM 1915 CG HIS A 116 -23.659 16.963 15.277 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -22.393 16.509 15.613 1.00 0.00 N ATOM 1917 CD2 HIS A 116 -23.586 18.334 15.309 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -21.621 17.589 15.833 1.00 0.00 C ATOM 1919 NE2 HIS A 116 -22.299 18.727 15.661 1.00 0.00 N ATOM 0 H HIS A 116 -24.032 14.312 16.681 1.00 0.00 H new ATOM 0 HA HIS A 116 -25.824 16.655 16.755 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -24.411 15.105 14.530 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -25.456 16.477 14.222 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -24.404 19.005 15.093 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -20.579 17.541 16.115 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -21.948 19.679 15.765 1.00 0.00 H new ATOM 1927 N HIS A 117 -27.981 15.571 16.258 1.00 0.00 N ATOM 1928 CA HIS A 117 -29.302 14.944 15.963 1.00 0.00 C ATOM 1929 C HIS A 117 -30.383 16.027 15.867 1.00 0.00 C ATOM 1930 O HIS A 117 -30.448 16.935 16.673 1.00 0.00 O ATOM 1931 CB HIS A 117 -29.662 13.960 17.075 1.00 0.00 C ATOM 1932 CG HIS A 117 -30.838 13.130 16.643 1.00 0.00 C ATOM 1933 ND1 HIS A 117 -32.143 13.571 16.783 1.00 0.00 N ATOM 1934 CD2 HIS A 117 -30.920 11.887 16.068 1.00 0.00 C ATOM 1935 CE1 HIS A 117 -32.950 12.607 16.301 1.00 0.00 C ATOM 1936 NE2 HIS A 117 -32.256 11.559 15.852 1.00 0.00 N ATOM 0 H HIS A 117 -28.032 16.465 16.747 1.00 0.00 H new ATOM 0 HA HIS A 117 -29.241 14.413 15.013 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -28.810 13.317 17.297 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -29.901 14.500 17.991 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -30.077 11.259 15.821 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -34.028 12.674 16.280 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -32.625 10.702 15.439 1.00 0.00 H new ATOM 1944 N HIS A 118 -31.229 15.915 14.879 1.00 0.00 N ATOM 1945 CA HIS A 118 -32.337 16.897 14.668 1.00 0.00 C ATOM 1946 C HIS A 118 -31.874 18.315 15.000 1.00 0.00 C ATOM 1947 O HIS A 118 -32.049 18.803 16.099 1.00 0.00 O ATOM 1948 CB HIS A 118 -33.535 16.512 15.536 1.00 0.00 C ATOM 1949 CG HIS A 118 -34.669 17.462 15.273 1.00 0.00 C ATOM 1950 ND1 HIS A 118 -35.380 17.454 14.083 1.00 0.00 N ATOM 1951 CD2 HIS A 118 -35.222 18.462 16.033 1.00 0.00 C ATOM 1952 CE1 HIS A 118 -36.311 18.421 14.160 1.00 0.00 C ATOM 1953 NE2 HIS A 118 -36.259 19.067 15.328 1.00 0.00 N ATOM 0 H HIS A 118 -31.199 15.164 14.190 1.00 0.00 H new ATOM 0 HA HIS A 118 -32.632 16.875 13.619 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -33.844 15.490 15.316 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -33.259 16.541 16.590 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -34.902 18.738 17.027 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -37.015 18.648 13.373 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -36.851 19.838 15.637 1.00 0.00 H new ATOM 1961 N HIS A 119 -31.288 18.977 14.041 1.00 0.00 N ATOM 1962 CA HIS A 119 -30.803 20.370 14.261 1.00 0.00 C ATOM 1963 C HIS A 119 -30.858 21.150 12.947 1.00 0.00 C ATOM 1964 O HIS A 119 -30.843 20.588 11.871 1.00 0.00 O ATOM 1965 CB HIS A 119 -29.361 20.338 14.773 1.00 0.00 C ATOM 1966 CG HIS A 119 -28.867 21.745 14.973 1.00 0.00 C ATOM 1967 ND1 HIS A 119 -29.304 22.537 16.023 1.00 0.00 N ATOM 1968 CD2 HIS A 119 -27.971 22.515 14.271 1.00 0.00 C ATOM 1969 CE1 HIS A 119 -28.677 23.724 15.925 1.00 0.00 C ATOM 1970 NE2 HIS A 119 -27.852 23.763 14.874 1.00 0.00 N ATOM 0 H HIS A 119 -31.122 18.609 13.104 1.00 0.00 H new ATOM 0 HA HIS A 119 -31.440 20.858 14.998 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -29.310 19.787 15.712 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -28.723 19.815 14.061 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -27.440 22.199 13.385 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -28.823 24.545 16.612 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -27.262 24.541 14.578 1.00 0.00 H new ATOM 1978 N HIS A 120 -30.924 22.447 13.042 1.00 0.00 N ATOM 1979 CA HIS A 120 -30.982 23.303 11.821 1.00 0.00 C ATOM 1980 C HIS A 120 -30.421 24.691 12.153 1.00 0.00 C ATOM 1981 O HIS A 120 -30.216 25.462 11.231 1.00 0.00 O ATOM 1982 CB HIS A 120 -32.437 23.438 11.361 1.00 0.00 C ATOM 1983 CG HIS A 120 -32.984 22.080 11.008 1.00 0.00 C ATOM 1984 ND1 HIS A 120 -32.622 21.418 9.844 1.00 0.00 N ATOM 1985 CD2 HIS A 120 -33.868 21.250 11.651 1.00 0.00 C ATOM 1986 CE1 HIS A 120 -33.282 20.245 9.824 1.00 0.00 C ATOM 1987 NE2 HIS A 120 -34.055 20.093 10.903 1.00 0.00 N ATOM 1988 OXT HIS A 120 -30.206 24.956 13.325 1.00 0.00 O ATOM 0 H HIS A 120 -30.941 22.959 13.924 1.00 0.00 H new ATOM 0 HA HIS A 120 -30.392 22.848 11.025 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -33.038 23.889 12.150 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -32.496 24.101 10.497 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -34.346 21.463 12.596 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -33.197 19.516 9.032 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -34.654 19.299 11.129 1.00 0.00 H new TER 1996 HIS A 120