USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 812 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 22 HIS : no HD1:sc= -2.99 K(o=-3.2,f=-6!) USER MOD Set 1.2: A 81 SER OG : rot -130:sc= -0.179 USER MOD Set 2.1: A 45 HIS : no HD1:sc= -0.987 X(o=-0.99,f=-0.75) USER MOD Set 2.2: A 48 MET CE :methyl -152:sc= 0 (180deg=-0.41) USER MOD Set 3.1: A 27 GLN : amide:sc= -1.64 K(o=-6,f=-3.8!) USER MOD Set 3.2: A 30 MET CE :methyl -142:sc=-0.00434 (180deg=-0.419) USER MOD Set 3.3: A 31 ASN : amide:sc= -4.36! K(o=-6!,f=-2) USER MOD Set 4.1: A 29 ASN : amide:sc= -0.0746 K(o=-11,f=-11) USER MOD Set 4.2: A 74 GLN : amide:sc= -11.3! C(o=-11!,f=-6.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.439 (180deg=-2.08!) USER MOD Single : A 2 TYR OH : rot -62:sc= 0.194 USER MOD Single : A 4 LYS NZ :NH3+ -157:sc= -0.0592 (180deg=-0.377) USER MOD Single : A 6 ASN : amide:sc= -7.43! C(o=-7.4!,f=-3.2!) USER MOD Single : A 13 GLN : amide:sc= -1.26! K(o=-1.3!,f=-0.18) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0445) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.9!) USER MOD Single : A 21 GLN : amide:sc= -0.414 K(o=-0.41,f=-1.9) USER MOD Single : A 24 GLN : amide:sc= -0.307! C(o=-0.31!,f=-7.3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 36 HIS : no HD1:sc= -3.99! C(o=-4!,f=-7.7!) USER MOD Single : A 38 GLN : amide:sc= -0.102 K(o=-0.1,f=-2.6!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -10.8! C(o=-11!,f=-2.8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -5.26! C(o=-5.3!,f=-8.5!) USER MOD Single : A 60 MET CE :methyl 139:sc= -0.242 (180deg=-1.13) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.33) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.413) USER MOD Single : A 73 GLN : amide:sc= -3.71! K(o=-3.7!,f=-0.98) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.1) USER MOD Single : A 83 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.78) USER MOD Single : A 84 ASN : amide:sc= -3.14! C(o=-3.1!,f=-2.2!) USER MOD Single : A 86 HIS : no HE2:sc= -0.353 K(o=-0.35,f=-2.1!) USER MOD Single : A 88 ASN : amide:sc= -16.4! C(o=-16!,f=-21!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.0836 X(o=-0.084,f=-0.015) USER MOD Single : A 95 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2.3) USER MOD Single : A 101 HIS : no HD1:sc= -2.04! K(o=-2!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.515 -18.311 -11.763 1.00 0.00 N ATOM 2 CA MET A 1 3.330 -17.938 -10.940 1.00 0.00 C ATOM 3 C MET A 1 2.498 -16.895 -11.687 1.00 0.00 C ATOM 4 O MET A 1 2.959 -16.273 -12.623 1.00 0.00 O ATOM 5 CB MET A 1 3.799 -17.354 -9.605 1.00 0.00 C ATOM 6 CG MET A 1 5.028 -16.472 -9.838 1.00 0.00 C ATOM 7 SD MET A 1 6.493 -17.520 -10.018 1.00 0.00 S ATOM 8 CE MET A 1 7.707 -16.190 -10.191 1.00 0.00 C ATOM 0 H1 MET A 1 5.326 -18.497 -11.139 1.00 0.00 H new ATOM 0 H2 MET A 1 4.299 -19.166 -12.315 1.00 0.00 H new ATOM 0 H3 MET A 1 4.748 -17.531 -12.410 1.00 0.00 H new ATOM 0 HA MET A 1 2.723 -18.824 -10.756 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.999 -16.769 -9.151 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.041 -18.157 -8.909 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.889 -15.865 -10.732 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.160 -15.784 -9.003 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.701 -16.619 -10.316 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.461 -15.584 -11.063 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.691 -15.565 -9.298 1.00 0.00 H new ATOM 20 N TYR A 2 1.275 -16.698 -11.279 1.00 0.00 N ATOM 21 CA TYR A 2 0.413 -15.694 -11.965 1.00 0.00 C ATOM 22 C TYR A 2 1.259 -14.479 -12.350 1.00 0.00 C ATOM 23 O TYR A 2 1.490 -14.214 -13.513 1.00 0.00 O ATOM 24 CB TYR A 2 -0.710 -15.260 -11.019 1.00 0.00 C ATOM 25 CG TYR A 2 -0.597 -16.023 -9.721 1.00 0.00 C ATOM 26 CD1 TYR A 2 0.306 -15.600 -8.738 1.00 0.00 C ATOM 27 CD2 TYR A 2 -1.391 -17.156 -9.501 1.00 0.00 C ATOM 28 CE1 TYR A 2 0.414 -16.308 -7.535 1.00 0.00 C ATOM 29 CE2 TYR A 2 -1.283 -17.863 -8.297 1.00 0.00 C ATOM 30 CZ TYR A 2 -0.380 -17.439 -7.315 1.00 0.00 C ATOM 31 OH TYR A 2 -0.272 -18.138 -6.129 1.00 0.00 O ATOM 0 H TYR A 2 0.835 -17.189 -10.500 1.00 0.00 H new ATOM 0 HA TYR A 2 -0.020 -16.133 -12.864 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.647 -14.188 -10.830 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.680 -15.446 -11.479 1.00 0.00 H new ATOM 0 HD1 TYR A 2 0.919 -14.727 -8.908 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -2.086 -17.484 -10.260 1.00 0.00 H new ATOM 0 HE1 TYR A 2 1.110 -15.981 -6.777 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -1.896 -18.735 -8.126 1.00 0.00 H new ATOM 0 HH TYR A 2 0.637 -18.495 -6.041 1.00 0.00 H new ATOM 41 N GLY A 3 1.725 -13.739 -11.382 1.00 0.00 N ATOM 42 CA GLY A 3 2.558 -12.543 -11.693 1.00 0.00 C ATOM 43 C GLY A 3 1.734 -11.273 -11.469 1.00 0.00 C ATOM 44 O GLY A 3 2.252 -10.175 -11.485 1.00 0.00 O ATOM 0 H GLY A 3 1.565 -13.911 -10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.445 -12.530 -11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.904 -12.587 -12.726 1.00 0.00 H new ATOM 48 N LYS A 4 0.454 -11.416 -11.262 1.00 0.00 N ATOM 49 CA LYS A 4 -0.406 -10.219 -11.040 1.00 0.00 C ATOM 50 C LYS A 4 0.130 -9.404 -9.865 1.00 0.00 C ATOM 51 O LYS A 4 0.036 -8.193 -9.853 1.00 0.00 O ATOM 52 CB LYS A 4 -1.835 -10.662 -10.735 1.00 0.00 C ATOM 53 CG LYS A 4 -2.439 -11.316 -11.979 1.00 0.00 C ATOM 54 CD LYS A 4 -3.869 -11.768 -11.678 1.00 0.00 C ATOM 55 CE LYS A 4 -4.599 -12.056 -12.991 1.00 0.00 C ATOM 56 NZ LYS A 4 -4.914 -10.771 -13.677 1.00 0.00 N ATOM 0 H LYS A 4 -0.034 -12.311 -11.237 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.397 -9.605 -11.940 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.840 -11.365 -9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.437 -9.805 -10.432 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.437 -10.611 -12.810 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.834 -12.170 -12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.856 -12.661 -11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.396 -10.995 -11.118 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.980 -12.681 -13.634 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.517 -12.610 -12.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.713 -10.912 -14.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.167 -10.052 -12.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.082 -10.451 -14.213 1.00 0.00 H new ATOM 70 N LEU A 5 0.693 -10.043 -8.872 1.00 0.00 N ATOM 71 CA LEU A 5 1.219 -9.261 -7.722 1.00 0.00 C ATOM 72 C LEU A 5 1.903 -8.016 -8.276 1.00 0.00 C ATOM 73 O LEU A 5 1.575 -6.906 -7.917 1.00 0.00 O ATOM 74 CB LEU A 5 2.239 -10.081 -6.921 1.00 0.00 C ATOM 75 CG LEU A 5 1.607 -11.362 -6.355 1.00 0.00 C ATOM 76 CD1 LEU A 5 0.090 -11.205 -6.197 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.905 -12.533 -7.292 1.00 0.00 C ATOM 0 H LEU A 5 0.809 -11.055 -8.810 1.00 0.00 H new ATOM 0 HA LEU A 5 0.397 -8.997 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.082 -10.341 -7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.634 -9.476 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 5 2.036 -11.553 -5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.331 -12.126 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.121 -10.381 -5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.357 -10.996 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.457 -13.442 -6.892 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.487 -12.326 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.984 -12.666 -7.376 1.00 0.00 H new ATOM 89 N ASN A 6 2.839 -8.188 -9.169 1.00 0.00 N ATOM 90 CA ASN A 6 3.519 -7.005 -9.753 1.00 0.00 C ATOM 91 C ASN A 6 2.463 -5.933 -10.027 1.00 0.00 C ATOM 92 O ASN A 6 2.693 -4.756 -9.830 1.00 0.00 O ATOM 93 CB ASN A 6 4.234 -7.416 -11.051 1.00 0.00 C ATOM 94 CG ASN A 6 3.797 -6.516 -12.211 1.00 0.00 C ATOM 95 OD1 ASN A 6 4.611 -5.852 -12.821 1.00 0.00 O ATOM 96 ND2 ASN A 6 2.536 -6.466 -12.537 1.00 0.00 N ATOM 0 H ASN A 6 3.159 -9.092 -9.516 1.00 0.00 H new ATOM 0 HA ASN A 6 4.266 -6.608 -9.065 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.313 -7.347 -10.916 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.007 -8.456 -11.284 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.231 -5.869 -13.306 1.00 0.00 H new ATOM 0 HD22 ASN A 6 1.854 -7.024 -12.024 1.00 0.00 H new ATOM 103 N ASP A 7 1.292 -6.332 -10.457 1.00 0.00 N ATOM 104 CA ASP A 7 0.222 -5.328 -10.710 1.00 0.00 C ATOM 105 C ASP A 7 -0.144 -4.693 -9.372 1.00 0.00 C ATOM 106 O ASP A 7 -0.379 -3.505 -9.270 1.00 0.00 O ATOM 107 CB ASP A 7 -1.005 -6.019 -11.308 1.00 0.00 C ATOM 108 CG ASP A 7 -1.793 -5.016 -12.153 1.00 0.00 C ATOM 109 OD1 ASP A 7 -1.174 -4.314 -12.936 1.00 0.00 O ATOM 110 OD2 ASP A 7 -3.003 -4.968 -12.004 1.00 0.00 O ATOM 0 H ASP A 7 1.035 -7.302 -10.642 1.00 0.00 H new ATOM 0 HA ASP A 7 0.568 -4.569 -11.412 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.696 -6.865 -11.922 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.636 -6.416 -10.513 1.00 0.00 H new ATOM 115 N LEU A 8 -0.164 -5.488 -8.338 1.00 0.00 N ATOM 116 CA LEU A 8 -0.477 -4.963 -6.985 1.00 0.00 C ATOM 117 C LEU A 8 0.780 -4.292 -6.437 1.00 0.00 C ATOM 118 O LEU A 8 0.757 -3.175 -5.960 1.00 0.00 O ATOM 119 CB LEU A 8 -0.854 -6.132 -6.070 1.00 0.00 C ATOM 120 CG LEU A 8 -2.368 -6.186 -5.890 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.847 -4.873 -5.271 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.035 -6.397 -7.253 1.00 0.00 C ATOM 0 H LEU A 8 0.026 -6.489 -8.376 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.303 -4.253 -7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.497 -7.069 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.368 -6.018 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.634 -7.013 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.929 -4.906 -5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.368 -4.732 -4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.586 -4.044 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.117 -6.436 -7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.777 -5.571 -7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.687 -7.334 -7.687 1.00 0.00 H new ATOM 134 N LEU A 9 1.877 -4.988 -6.512 1.00 0.00 N ATOM 135 CA LEU A 9 3.165 -4.447 -6.016 1.00 0.00 C ATOM 136 C LEU A 9 3.552 -3.206 -6.820 1.00 0.00 C ATOM 137 O LEU A 9 3.674 -2.120 -6.289 1.00 0.00 O ATOM 138 CB LEU A 9 4.242 -5.516 -6.201 1.00 0.00 C ATOM 139 CG LEU A 9 5.393 -5.259 -5.238 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.368 -6.432 -5.291 1.00 0.00 C ATOM 141 CD2 LEU A 9 6.124 -3.979 -5.645 1.00 0.00 C ATOM 0 H LEU A 9 1.934 -5.928 -6.905 1.00 0.00 H new ATOM 0 HA LEU A 9 3.070 -4.177 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.820 -6.505 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.606 -5.505 -7.228 1.00 0.00 H new ATOM 0 HG LEU A 9 5.002 -5.150 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.193 -6.251 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.851 -7.348 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.757 -6.536 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.948 -3.795 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.515 -4.089 -6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.431 -3.138 -5.614 1.00 0.00 H new ATOM 153 N GLU A 10 3.760 -3.365 -8.098 1.00 0.00 N ATOM 154 CA GLU A 10 4.154 -2.203 -8.942 1.00 0.00 C ATOM 155 C GLU A 10 3.198 -1.032 -8.698 1.00 0.00 C ATOM 156 O GLU A 10 3.616 0.086 -8.478 1.00 0.00 O ATOM 157 CB GLU A 10 4.100 -2.607 -10.416 1.00 0.00 C ATOM 158 CG GLU A 10 4.787 -1.538 -11.266 1.00 0.00 C ATOM 159 CD GLU A 10 4.003 -1.335 -12.564 1.00 0.00 C ATOM 160 OE1 GLU A 10 3.171 -2.175 -12.867 1.00 0.00 O ATOM 161 OE2 GLU A 10 4.246 -0.345 -13.232 1.00 0.00 O ATOM 0 H GLU A 10 3.674 -4.252 -8.595 1.00 0.00 H new ATOM 0 HA GLU A 10 5.167 -1.896 -8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.591 -3.570 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.064 -2.728 -10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.844 -0.600 -10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.810 -1.839 -11.490 1.00 0.00 H new ATOM 168 N ASP A 11 1.917 -1.277 -8.739 1.00 0.00 N ATOM 169 CA ASP A 11 0.944 -0.171 -8.512 1.00 0.00 C ATOM 170 C ASP A 11 1.065 0.331 -7.072 1.00 0.00 C ATOM 171 O ASP A 11 1.140 1.517 -6.822 1.00 0.00 O ATOM 172 CB ASP A 11 -0.478 -0.681 -8.753 1.00 0.00 C ATOM 173 CG ASP A 11 -0.673 -0.972 -10.242 1.00 0.00 C ATOM 174 OD1 ASP A 11 0.313 -0.960 -10.961 1.00 0.00 O ATOM 175 OD2 ASP A 11 -1.804 -1.200 -10.639 1.00 0.00 O ATOM 0 H ASP A 11 1.503 -2.192 -8.919 1.00 0.00 H new ATOM 0 HA ASP A 11 1.160 0.645 -9.202 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.655 -1.584 -8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.203 0.061 -8.419 1.00 0.00 H new ATOM 180 N LEU A 12 1.077 -0.564 -6.124 1.00 0.00 N ATOM 181 CA LEU A 12 1.184 -0.142 -4.699 1.00 0.00 C ATOM 182 C LEU A 12 2.456 0.686 -4.490 1.00 0.00 C ATOM 183 O LEU A 12 2.433 1.730 -3.869 1.00 0.00 O ATOM 184 CB LEU A 12 1.229 -1.382 -3.804 1.00 0.00 C ATOM 185 CG LEU A 12 1.667 -0.981 -2.394 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.747 0.122 -1.865 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.585 -2.198 -1.471 1.00 0.00 C ATOM 0 H LEU A 12 1.017 -1.571 -6.274 1.00 0.00 H new ATOM 0 HA LEU A 12 0.317 0.467 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.247 -1.854 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.922 -2.116 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 12 2.693 -0.614 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.060 0.406 -0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.804 0.990 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.279 -0.244 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.897 -1.914 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.559 -2.565 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.241 -2.984 -1.846 1.00 0.00 H new ATOM 199 N GLN A 13 3.570 0.228 -4.996 1.00 0.00 N ATOM 200 CA GLN A 13 4.839 0.991 -4.812 1.00 0.00 C ATOM 201 C GLN A 13 4.839 2.231 -5.713 1.00 0.00 C ATOM 202 O GLN A 13 5.687 3.093 -5.595 1.00 0.00 O ATOM 203 CB GLN A 13 6.031 0.097 -5.167 1.00 0.00 C ATOM 204 CG GLN A 13 6.332 0.210 -6.662 1.00 0.00 C ATOM 205 CD GLN A 13 7.356 -0.854 -7.061 1.00 0.00 C ATOM 206 OE1 GLN A 13 7.576 -1.093 -8.231 1.00 0.00 O ATOM 207 NE2 GLN A 13 7.995 -1.508 -6.130 1.00 0.00 N ATOM 0 H GLN A 13 3.656 -0.639 -5.527 1.00 0.00 H new ATOM 0 HA GLN A 13 4.919 1.307 -3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.905 0.392 -4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.811 -0.939 -4.908 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.416 0.082 -7.238 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.717 1.204 -6.892 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.810 -1.307 -5.147 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.679 -2.220 -6.385 1.00 0.00 H new ATOM 216 N GLU A 14 3.895 2.333 -6.608 1.00 0.00 N ATOM 217 CA GLU A 14 3.849 3.523 -7.504 1.00 0.00 C ATOM 218 C GLU A 14 3.057 4.633 -6.820 1.00 0.00 C ATOM 219 O GLU A 14 3.540 5.733 -6.640 1.00 0.00 O ATOM 220 CB GLU A 14 3.170 3.152 -8.819 1.00 0.00 C ATOM 221 CG GLU A 14 4.156 2.388 -9.705 1.00 0.00 C ATOM 222 CD GLU A 14 4.882 3.372 -10.624 1.00 0.00 C ATOM 223 OE1 GLU A 14 5.733 4.095 -10.132 1.00 0.00 O ATOM 224 OE2 GLU A 14 4.574 3.388 -11.805 1.00 0.00 O ATOM 0 H GLU A 14 3.156 1.646 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 14 4.864 3.864 -7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.289 2.540 -8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.827 4.052 -9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.876 1.851 -9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.626 1.642 -10.298 1.00 0.00 H new ATOM 231 N VAL A 15 1.844 4.356 -6.421 1.00 0.00 N ATOM 232 CA VAL A 15 1.045 5.407 -5.738 1.00 0.00 C ATOM 233 C VAL A 15 1.954 6.095 -4.722 1.00 0.00 C ATOM 234 O VAL A 15 2.024 7.306 -4.655 1.00 0.00 O ATOM 235 CB VAL A 15 -0.168 4.763 -5.042 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.123 3.248 -5.231 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.163 5.082 -3.539 1.00 0.00 C ATOM 0 H VAL A 15 1.378 3.456 -6.538 1.00 0.00 H new ATOM 0 HA VAL A 15 0.670 6.140 -6.453 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.077 5.168 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.982 2.794 -4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.150 3.013 -6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.795 2.854 -4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.028 4.618 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.750 4.693 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.207 6.162 -3.396 1.00 0.00 H new ATOM 247 N LEU A 16 2.665 5.329 -3.943 1.00 0.00 N ATOM 248 CA LEU A 16 3.583 5.936 -2.949 1.00 0.00 C ATOM 249 C LEU A 16 4.514 6.906 -3.679 1.00 0.00 C ATOM 250 O LEU A 16 4.952 7.896 -3.128 1.00 0.00 O ATOM 251 CB LEU A 16 4.383 4.824 -2.247 1.00 0.00 C ATOM 252 CG LEU A 16 5.871 4.912 -2.610 1.00 0.00 C ATOM 253 CD1 LEU A 16 6.477 6.174 -1.989 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.599 3.678 -2.068 1.00 0.00 C ATOM 0 H LEU A 16 2.648 4.309 -3.954 1.00 0.00 H new ATOM 0 HA LEU A 16 3.024 6.483 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.262 4.909 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.990 3.849 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 16 5.979 4.954 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.534 6.235 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.958 7.053 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.371 6.133 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.657 3.738 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.490 3.638 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.169 2.779 -2.509 1.00 0.00 H new ATOM 266 N LYS A 17 4.811 6.635 -4.925 1.00 0.00 N ATOM 267 CA LYS A 17 5.702 7.552 -5.690 1.00 0.00 C ATOM 268 C LYS A 17 4.921 8.817 -6.045 1.00 0.00 C ATOM 269 O LYS A 17 5.484 9.877 -6.232 1.00 0.00 O ATOM 270 CB LYS A 17 6.178 6.859 -6.970 1.00 0.00 C ATOM 271 CG LYS A 17 7.698 6.678 -6.925 1.00 0.00 C ATOM 272 CD LYS A 17 8.107 5.570 -7.898 1.00 0.00 C ATOM 273 CE LYS A 17 9.634 5.499 -7.981 1.00 0.00 C ATOM 274 NZ LYS A 17 10.175 4.918 -6.720 1.00 0.00 N ATOM 0 H LYS A 17 4.476 5.822 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 17 6.571 7.814 -5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.690 5.890 -7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.898 7.451 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.194 7.611 -7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.015 6.424 -5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.706 4.613 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.688 5.765 -8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.934 4.889 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.047 6.495 -8.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.195 4.744 -6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.018 5.583 -5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.691 4.021 -6.515 1.00 0.00 H new ATOM 288 N HIS A 18 3.622 8.713 -6.124 1.00 0.00 N ATOM 289 CA HIS A 18 2.793 9.905 -6.448 1.00 0.00 C ATOM 290 C HIS A 18 2.120 10.391 -5.166 1.00 0.00 C ATOM 291 O HIS A 18 1.428 11.389 -5.148 1.00 0.00 O ATOM 292 CB HIS A 18 1.724 9.528 -7.470 1.00 0.00 C ATOM 293 CG HIS A 18 2.359 8.797 -8.622 1.00 0.00 C ATOM 294 ND1 HIS A 18 3.135 9.446 -9.573 1.00 0.00 N ATOM 295 CD2 HIS A 18 2.341 7.475 -8.992 1.00 0.00 C ATOM 296 CE1 HIS A 18 3.548 8.521 -10.460 1.00 0.00 C ATOM 297 NE2 HIS A 18 3.091 7.307 -10.151 1.00 0.00 N ATOM 0 H HIS A 18 3.099 7.850 -5.977 1.00 0.00 H new ATOM 0 HA HIS A 18 3.422 10.691 -6.865 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.965 8.900 -7.002 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.219 10.424 -7.830 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.824 6.687 -8.464 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.172 8.736 -11.315 1.00 0.00 H new ATOM 0 HE2 HIS A 18 3.257 6.438 -10.658 1.00 0.00 H new ATOM 306 N VAL A 19 2.323 9.680 -4.090 1.00 0.00 N ATOM 307 CA VAL A 19 1.703 10.078 -2.797 1.00 0.00 C ATOM 308 C VAL A 19 2.707 10.904 -1.988 1.00 0.00 C ATOM 309 O VAL A 19 2.351 11.588 -1.049 1.00 0.00 O ATOM 310 CB VAL A 19 1.302 8.812 -2.024 1.00 0.00 C ATOM 311 CG1 VAL A 19 2.303 8.526 -0.901 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.089 9.008 -1.425 1.00 0.00 C ATOM 0 H VAL A 19 2.895 8.836 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 19 0.814 10.683 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 19 1.298 7.966 -2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.002 7.626 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.296 8.380 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.325 9.369 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.378 8.112 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.076 9.861 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.807 9.191 -2.225 1.00 0.00 H new ATOM 322 N ASN A 20 3.959 10.844 -2.348 1.00 0.00 N ATOM 323 CA ASN A 20 4.987 11.624 -1.604 1.00 0.00 C ATOM 324 C ASN A 20 5.117 13.016 -2.226 1.00 0.00 C ATOM 325 O ASN A 20 5.433 13.978 -1.556 1.00 0.00 O ATOM 326 CB ASN A 20 6.332 10.901 -1.685 1.00 0.00 C ATOM 327 CG ASN A 20 6.352 9.744 -0.684 1.00 0.00 C ATOM 328 OD1 ASN A 20 5.388 9.516 0.018 1.00 0.00 O ATOM 329 ND2 ASN A 20 7.420 9.001 -0.587 1.00 0.00 N ATOM 0 H ASN A 20 4.315 10.288 -3.126 1.00 0.00 H new ATOM 0 HA ASN A 20 4.688 11.718 -0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.494 10.525 -2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.144 11.596 -1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.445 8.229 0.079 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.230 9.193 -1.177 1.00 0.00 H new ATOM 336 N GLN A 21 4.878 13.129 -3.505 1.00 0.00 N ATOM 337 CA GLN A 21 4.991 14.458 -4.170 1.00 0.00 C ATOM 338 C GLN A 21 3.774 15.318 -3.813 1.00 0.00 C ATOM 339 O GLN A 21 3.841 16.532 -3.810 1.00 0.00 O ATOM 340 CB GLN A 21 5.055 14.265 -5.688 1.00 0.00 C ATOM 341 CG GLN A 21 6.384 14.807 -6.219 1.00 0.00 C ATOM 342 CD GLN A 21 7.541 14.156 -5.459 1.00 0.00 C ATOM 343 OE1 GLN A 21 7.418 13.049 -4.974 1.00 0.00 O ATOM 344 NE2 GLN A 21 8.668 14.803 -5.333 1.00 0.00 N ATOM 0 H GLN A 21 4.610 12.359 -4.117 1.00 0.00 H new ATOM 0 HA GLN A 21 5.898 14.958 -3.829 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.957 13.208 -5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.223 14.782 -6.166 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.473 14.600 -7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.421 15.890 -6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.771 15.732 -5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.446 14.379 -4.827 1.00 0.00 H new ATOM 353 N HIS A 22 2.663 14.702 -3.515 1.00 0.00 N ATOM 354 CA HIS A 22 1.447 15.488 -3.162 1.00 0.00 C ATOM 355 C HIS A 22 1.130 15.304 -1.676 1.00 0.00 C ATOM 356 O HIS A 22 0.007 15.468 -1.246 1.00 0.00 O ATOM 357 CB HIS A 22 0.261 14.999 -3.996 1.00 0.00 C ATOM 358 CG HIS A 22 0.254 15.710 -5.322 1.00 0.00 C ATOM 359 ND1 HIS A 22 -0.562 16.805 -5.571 1.00 0.00 N ATOM 360 CD2 HIS A 22 0.958 15.495 -6.481 1.00 0.00 C ATOM 361 CE1 HIS A 22 -0.332 17.203 -6.836 1.00 0.00 C ATOM 362 NE2 HIS A 22 0.584 16.438 -7.432 1.00 0.00 N ATOM 0 H HIS A 22 2.545 13.689 -3.501 1.00 0.00 H new ATOM 0 HA HIS A 22 1.628 16.543 -3.368 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.330 13.922 -4.149 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.673 15.187 -3.466 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.689 14.714 -6.631 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.827 18.038 -7.310 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.936 16.526 -8.385 1.00 0.00 H new ATOM 371 N TRP A 23 2.114 14.967 -0.887 1.00 0.00 N ATOM 372 CA TRP A 23 1.866 14.778 0.567 1.00 0.00 C ATOM 373 C TRP A 23 1.658 16.135 1.231 1.00 0.00 C ATOM 374 O TRP A 23 2.321 17.103 0.914 1.00 0.00 O ATOM 375 CB TRP A 23 3.069 14.091 1.205 1.00 0.00 C ATOM 376 CG TRP A 23 2.678 13.554 2.540 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.568 14.284 3.670 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.341 12.188 2.899 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.188 13.445 4.704 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.039 12.143 4.278 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.275 10.999 2.166 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.683 10.951 4.909 1.00 0.00 C ATOM 383 CZ3 TRP A 23 1.915 9.794 2.793 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.621 9.772 4.164 1.00 0.00 C ATOM 0 H TRP A 23 3.077 14.815 -1.188 1.00 0.00 H new ATOM 0 HA TRP A 23 0.976 14.163 0.702 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.423 13.283 0.565 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.892 14.798 1.311 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.747 15.346 3.754 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.037 13.753 5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.502 11.007 1.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.457 10.940 5.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.865 8.882 2.217 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.347 8.844 4.643 1.00 0.00 H new ATOM 395 N GLN A 24 0.747 16.211 2.156 1.00 0.00 N ATOM 396 CA GLN A 24 0.500 17.506 2.850 1.00 0.00 C ATOM 397 C GLN A 24 -0.026 17.239 4.261 1.00 0.00 C ATOM 398 O GLN A 24 -0.642 16.224 4.523 1.00 0.00 O ATOM 399 CB GLN A 24 -0.525 18.325 2.061 1.00 0.00 C ATOM 400 CG GLN A 24 0.075 19.687 1.700 1.00 0.00 C ATOM 401 CD GLN A 24 -1.044 20.640 1.276 1.00 0.00 C ATOM 402 OE1 GLN A 24 -2.020 20.799 1.981 1.00 0.00 O ATOM 403 NE2 GLN A 24 -0.943 21.284 0.145 1.00 0.00 N ATOM 0 H GLN A 24 0.162 15.434 2.463 1.00 0.00 H new ATOM 0 HA GLN A 24 1.433 18.066 2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.813 17.791 1.155 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.431 18.460 2.652 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.613 20.098 2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.798 19.575 0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.123 21.150 -0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.684 21.921 -0.147 1.00 0.00 H new ATOM 412 N GLY A 25 0.211 18.142 5.174 1.00 0.00 N ATOM 413 CA GLY A 25 -0.275 17.939 6.568 1.00 0.00 C ATOM 414 C GLY A 25 0.824 17.278 7.402 1.00 0.00 C ATOM 415 O GLY A 25 0.559 16.448 8.249 1.00 0.00 O ATOM 0 H GLY A 25 0.720 19.011 5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.555 18.895 7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.169 17.315 6.565 1.00 0.00 H new ATOM 419 N GLY A 26 2.057 17.640 7.170 1.00 0.00 N ATOM 420 CA GLY A 26 3.172 17.032 7.950 1.00 0.00 C ATOM 421 C GLY A 26 4.161 16.363 6.992 1.00 0.00 C ATOM 422 O GLY A 26 4.056 15.189 6.696 1.00 0.00 O ATOM 0 H GLY A 26 2.340 18.330 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.679 17.798 8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.779 16.299 8.655 1.00 0.00 H new ATOM 426 N GLN A 27 5.123 17.100 6.505 1.00 0.00 N ATOM 427 CA GLN A 27 6.115 16.504 5.566 1.00 0.00 C ATOM 428 C GLN A 27 7.007 15.517 6.324 1.00 0.00 C ATOM 429 O GLN A 27 7.960 14.989 5.786 1.00 0.00 O ATOM 430 CB GLN A 27 6.982 17.614 4.967 1.00 0.00 C ATOM 431 CG GLN A 27 7.966 17.006 3.966 1.00 0.00 C ATOM 432 CD GLN A 27 9.369 16.981 4.577 1.00 0.00 C ATOM 433 OE1 GLN A 27 9.690 17.792 5.423 1.00 0.00 O ATOM 434 NE2 GLN A 27 10.221 16.075 4.184 1.00 0.00 N ATOM 0 H GLN A 27 5.264 18.088 6.717 1.00 0.00 H new ATOM 0 HA GLN A 27 5.589 15.981 4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.354 18.354 4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.524 18.133 5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.655 15.995 3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.970 17.588 3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.951 15.395 3.474 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.158 16.047 4.587 1.00 0.00 H new ATOM 443 N LYS A 28 6.705 15.264 7.567 1.00 0.00 N ATOM 444 CA LYS A 28 7.534 14.311 8.355 1.00 0.00 C ATOM 445 C LYS A 28 7.009 12.891 8.152 1.00 0.00 C ATOM 446 O LYS A 28 7.748 11.929 8.218 1.00 0.00 O ATOM 447 CB LYS A 28 7.458 14.675 9.840 1.00 0.00 C ATOM 448 CG LYS A 28 6.006 14.584 10.315 1.00 0.00 C ATOM 449 CD LYS A 28 5.931 14.951 11.798 1.00 0.00 C ATOM 450 CE LYS A 28 6.760 13.960 12.615 1.00 0.00 C ATOM 451 NZ LYS A 28 6.039 13.633 13.878 1.00 0.00 N ATOM 0 H LYS A 28 5.920 15.676 8.071 1.00 0.00 H new ATOM 0 HA LYS A 28 8.570 14.367 8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.085 14.001 10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.841 15.683 9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.378 15.257 9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.624 13.575 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.302 15.964 11.951 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.894 14.937 12.134 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.934 13.052 12.038 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.737 14.386 12.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.602 12.959 14.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.894 14.502 14.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.117 13.209 13.651 1.00 0.00 H new ATOM 465 N ASN A 29 5.736 12.751 7.903 1.00 0.00 N ATOM 466 CA ASN A 29 5.164 11.393 7.694 1.00 0.00 C ATOM 467 C ASN A 29 5.615 10.858 6.334 1.00 0.00 C ATOM 468 O ASN A 29 5.991 9.710 6.200 1.00 0.00 O ATOM 469 CB ASN A 29 3.637 11.469 7.731 1.00 0.00 C ATOM 470 CG ASN A 29 3.188 12.080 9.060 1.00 0.00 C ATOM 471 OD1 ASN A 29 2.413 13.015 9.081 1.00 0.00 O ATOM 472 ND2 ASN A 29 3.645 11.587 10.179 1.00 0.00 N ATOM 0 H ASN A 29 5.068 13.519 7.835 1.00 0.00 H new ATOM 0 HA ASN A 29 5.512 10.726 8.483 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.272 12.072 6.900 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.210 10.473 7.614 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.351 11.987 11.070 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.296 10.802 10.162 1.00 0.00 H new ATOM 479 N MET A 30 5.584 11.682 5.322 1.00 0.00 N ATOM 480 CA MET A 30 6.013 11.221 3.973 1.00 0.00 C ATOM 481 C MET A 30 7.297 10.400 4.102 1.00 0.00 C ATOM 482 O MET A 30 7.714 9.732 3.178 1.00 0.00 O ATOM 483 CB MET A 30 6.272 12.433 3.076 1.00 0.00 C ATOM 484 CG MET A 30 7.151 12.017 1.896 1.00 0.00 C ATOM 485 SD MET A 30 7.185 13.347 0.669 1.00 0.00 S ATOM 486 CE MET A 30 8.615 14.233 1.335 1.00 0.00 C ATOM 0 H MET A 30 5.280 12.654 5.372 1.00 0.00 H new ATOM 0 HA MET A 30 5.228 10.606 3.533 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.327 12.839 2.714 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.761 13.223 3.646 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.162 11.800 2.241 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.765 11.103 1.446 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.453 15.307 1.243 1.00 0.00 H new ATOM 0 HE2 MET A 30 8.746 13.975 2.386 1.00 0.00 H new ATOM 0 HE3 MET A 30 9.509 13.952 0.778 1.00 0.00 H new ATOM 496 N ASN A 31 7.924 10.443 5.245 1.00 0.00 N ATOM 497 CA ASN A 31 9.178 9.663 5.436 1.00 0.00 C ATOM 498 C ASN A 31 8.874 8.430 6.285 1.00 0.00 C ATOM 499 O ASN A 31 9.332 7.340 6.001 1.00 0.00 O ATOM 500 CB ASN A 31 10.215 10.533 6.148 1.00 0.00 C ATOM 501 CG ASN A 31 10.515 11.766 5.294 1.00 0.00 C ATOM 502 OD1 ASN A 31 11.274 12.626 5.694 1.00 0.00 O ATOM 503 ND2 ASN A 31 9.944 11.890 4.128 1.00 0.00 N ATOM 0 H ASN A 31 7.622 10.985 6.055 1.00 0.00 H new ATOM 0 HA ASN A 31 9.572 9.354 4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.842 10.836 7.126 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.129 9.964 6.318 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.135 12.709 3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.307 11.167 3.793 1.00 0.00 H new ATOM 510 N LYS A 32 8.098 8.592 7.320 1.00 0.00 N ATOM 511 CA LYS A 32 7.754 7.432 8.185 1.00 0.00 C ATOM 512 C LYS A 32 6.778 6.521 7.434 1.00 0.00 C ATOM 513 O LYS A 32 6.774 5.319 7.605 1.00 0.00 O ATOM 514 CB LYS A 32 7.105 7.939 9.477 1.00 0.00 C ATOM 515 CG LYS A 32 6.046 6.943 9.955 1.00 0.00 C ATOM 516 CD LYS A 32 5.789 7.146 11.448 1.00 0.00 C ATOM 517 CE LYS A 32 4.360 6.712 11.782 1.00 0.00 C ATOM 518 NZ LYS A 32 3.455 7.893 11.717 1.00 0.00 N ATOM 0 H LYS A 32 7.686 9.481 7.604 1.00 0.00 H new ATOM 0 HA LYS A 32 8.655 6.871 8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.865 8.073 10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.649 8.914 9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.122 7.082 9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.381 5.923 9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.503 6.566 12.033 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.934 8.193 11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.028 5.947 11.081 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.326 6.269 12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.484 7.599 11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.769 8.609 12.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.480 8.297 10.759 1.00 0.00 H new ATOM 532 N VAL A 33 5.949 7.090 6.602 1.00 0.00 N ATOM 533 CA VAL A 33 4.972 6.265 5.839 1.00 0.00 C ATOM 534 C VAL A 33 5.703 5.503 4.732 1.00 0.00 C ATOM 535 O VAL A 33 5.572 4.302 4.601 1.00 0.00 O ATOM 536 CB VAL A 33 3.914 7.177 5.217 1.00 0.00 C ATOM 537 CG1 VAL A 33 3.347 8.107 6.293 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.552 8.016 4.106 1.00 0.00 C ATOM 0 H VAL A 33 5.907 8.092 6.418 1.00 0.00 H new ATOM 0 HA VAL A 33 4.491 5.555 6.512 1.00 0.00 H new ATOM 0 HB VAL A 33 3.111 6.569 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.593 8.758 5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.893 7.512 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.151 8.714 6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.798 8.666 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.354 8.624 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.958 7.356 3.339 1.00 0.00 H new ATOM 548 N ASP A 34 6.476 6.191 3.936 1.00 0.00 N ATOM 549 CA ASP A 34 7.215 5.503 2.842 1.00 0.00 C ATOM 550 C ASP A 34 7.857 4.231 3.395 1.00 0.00 C ATOM 551 O ASP A 34 8.044 3.260 2.688 1.00 0.00 O ATOM 552 CB ASP A 34 8.302 6.435 2.298 1.00 0.00 C ATOM 553 CG ASP A 34 9.124 5.701 1.239 1.00 0.00 C ATOM 554 OD1 ASP A 34 9.445 4.544 1.461 1.00 0.00 O ATOM 555 OD2 ASP A 34 9.419 6.306 0.221 1.00 0.00 O ATOM 0 H ASP A 34 6.627 7.198 3.997 1.00 0.00 H new ATOM 0 HA ASP A 34 6.527 5.244 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.848 7.327 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.949 6.768 3.109 1.00 0.00 H new ATOM 560 N HIS A 35 8.189 4.227 4.656 1.00 0.00 N ATOM 561 CA HIS A 35 8.811 3.016 5.259 1.00 0.00 C ATOM 562 C HIS A 35 7.715 2.005 5.602 1.00 0.00 C ATOM 563 O HIS A 35 7.902 0.810 5.487 1.00 0.00 O ATOM 564 CB HIS A 35 9.562 3.411 6.533 1.00 0.00 C ATOM 565 CG HIS A 35 10.769 2.531 6.698 1.00 0.00 C ATOM 566 ND1 HIS A 35 10.664 1.165 6.924 1.00 0.00 N ATOM 567 CD2 HIS A 35 12.115 2.804 6.672 1.00 0.00 C ATOM 568 CE1 HIS A 35 11.913 0.673 7.026 1.00 0.00 C ATOM 569 NE2 HIS A 35 12.830 1.631 6.880 1.00 0.00 N ATOM 0 H HIS A 35 8.056 5.011 5.295 1.00 0.00 H new ATOM 0 HA HIS A 35 9.510 2.570 4.551 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.866 4.456 6.479 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.907 3.314 7.399 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.550 3.780 6.514 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.144 -0.367 7.204 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.844 1.525 6.914 1.00 0.00 H new ATOM 578 N HIS A 36 6.569 2.475 6.016 1.00 0.00 N ATOM 579 CA HIS A 36 5.459 1.541 6.360 1.00 0.00 C ATOM 580 C HIS A 36 5.102 0.708 5.127 1.00 0.00 C ATOM 581 O HIS A 36 4.797 -0.465 5.224 1.00 0.00 O ATOM 582 CB HIS A 36 4.235 2.346 6.806 1.00 0.00 C ATOM 583 CG HIS A 36 4.221 2.453 8.308 1.00 0.00 C ATOM 584 ND1 HIS A 36 4.758 1.469 9.127 1.00 0.00 N ATOM 585 CD2 HIS A 36 3.740 3.423 9.153 1.00 0.00 C ATOM 586 CE1 HIS A 36 4.589 1.866 10.403 1.00 0.00 C ATOM 587 NE2 HIS A 36 3.975 3.048 10.472 1.00 0.00 N ATOM 0 H HIS A 36 6.354 3.465 6.131 1.00 0.00 H new ATOM 0 HA HIS A 36 5.772 0.881 7.169 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.259 3.341 6.361 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.322 1.863 6.457 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.254 4.336 8.842 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.911 1.298 11.263 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.729 3.568 11.315 1.00 0.00 H new ATOM 596 N LEU A 37 5.144 1.305 3.967 1.00 0.00 N ATOM 597 CA LEU A 37 4.815 0.551 2.722 1.00 0.00 C ATOM 598 C LEU A 37 5.981 -0.378 2.379 1.00 0.00 C ATOM 599 O LEU A 37 5.823 -1.579 2.295 1.00 0.00 O ATOM 600 CB LEU A 37 4.599 1.545 1.569 1.00 0.00 C ATOM 601 CG LEU A 37 3.143 1.524 1.090 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.333 2.543 1.888 1.00 0.00 C ATOM 603 CD2 LEU A 37 3.096 1.902 -0.392 1.00 0.00 C ATOM 0 H LEU A 37 5.392 2.284 3.827 1.00 0.00 H new ATOM 0 HA LEU A 37 3.908 -0.035 2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.863 2.550 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.262 1.296 0.740 1.00 0.00 H new ATOM 0 HG LEU A 37 2.726 0.527 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.297 2.530 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.372 2.289 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.751 3.538 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.063 1.889 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.511 2.901 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.681 1.186 -0.969 1.00 0.00 H new ATOM 615 N GLN A 38 7.151 0.166 2.178 1.00 0.00 N ATOM 616 CA GLN A 38 8.320 -0.695 1.842 1.00 0.00 C ATOM 617 C GLN A 38 8.219 -2.004 2.624 1.00 0.00 C ATOM 618 O GLN A 38 8.560 -3.062 2.134 1.00 0.00 O ATOM 619 CB GLN A 38 9.615 0.028 2.217 1.00 0.00 C ATOM 620 CG GLN A 38 10.300 0.537 0.946 1.00 0.00 C ATOM 621 CD GLN A 38 11.241 1.689 1.301 1.00 0.00 C ATOM 622 OE1 GLN A 38 11.303 2.110 2.439 1.00 0.00 O ATOM 623 NE2 GLN A 38 11.984 2.220 0.369 1.00 0.00 N ATOM 0 H GLN A 38 7.347 1.166 2.232 1.00 0.00 H new ATOM 0 HA GLN A 38 8.324 -0.906 0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.399 0.861 2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.279 -0.648 2.755 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.859 -0.270 0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.553 0.872 0.227 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.933 1.867 -0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.616 2.988 0.596 1.00 0.00 H new ATOM 632 N ASN A 39 7.739 -1.941 3.836 1.00 0.00 N ATOM 633 CA ASN A 39 7.601 -3.180 4.648 1.00 0.00 C ATOM 634 C ASN A 39 6.502 -4.050 4.038 1.00 0.00 C ATOM 635 O ASN A 39 6.591 -5.262 4.023 1.00 0.00 O ATOM 636 CB ASN A 39 7.228 -2.809 6.084 1.00 0.00 C ATOM 637 CG ASN A 39 8.424 -3.067 7.000 1.00 0.00 C ATOM 638 OD1 ASN A 39 8.394 -3.961 7.822 1.00 0.00 O ATOM 639 ND2 ASN A 39 9.484 -2.314 6.892 1.00 0.00 N ATOM 0 H ASN A 39 7.437 -1.083 4.298 1.00 0.00 H new ATOM 0 HA ASN A 39 8.543 -3.728 4.654 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.935 -1.760 6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.371 -3.396 6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.288 -2.476 7.498 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.508 -1.564 6.202 1.00 0.00 H new ATOM 646 N VAL A 40 5.469 -3.438 3.527 1.00 0.00 N ATOM 647 CA VAL A 40 4.367 -4.224 2.908 1.00 0.00 C ATOM 648 C VAL A 40 4.762 -4.608 1.481 1.00 0.00 C ATOM 649 O VAL A 40 4.851 -5.771 1.142 1.00 0.00 O ATOM 650 CB VAL A 40 3.091 -3.382 2.878 1.00 0.00 C ATOM 651 CG1 VAL A 40 1.917 -4.252 2.427 1.00 0.00 C ATOM 652 CG2 VAL A 40 2.808 -2.841 4.278 1.00 0.00 C ATOM 0 H VAL A 40 5.341 -2.426 3.512 1.00 0.00 H new ATOM 0 HA VAL A 40 4.188 -5.126 3.493 1.00 0.00 H new ATOM 0 HB VAL A 40 3.219 -2.552 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.007 -3.652 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.117 -4.644 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.789 -5.080 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.899 -2.240 4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.679 -3.673 4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.644 -2.223 4.605 1.00 0.00 H new ATOM 662 N ILE A 41 5.004 -3.636 0.645 1.00 0.00 N ATOM 663 CA ILE A 41 5.399 -3.937 -0.761 1.00 0.00 C ATOM 664 C ILE A 41 6.256 -5.203 -0.791 1.00 0.00 C ATOM 665 O ILE A 41 6.112 -6.040 -1.660 1.00 0.00 O ATOM 666 CB ILE A 41 6.205 -2.766 -1.325 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.607 -1.450 -0.811 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.154 -2.805 -2.853 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.719 -0.367 -1.888 1.00 0.00 C ATOM 0 H ILE A 41 4.945 -2.644 0.875 1.00 0.00 H new ATOM 0 HA ILE A 41 4.504 -4.089 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 41 7.244 -2.839 -1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.562 -1.598 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.129 -1.132 0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.728 -1.971 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.579 -3.744 -3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.119 -2.728 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.292 0.564 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.768 -0.210 -2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.177 -0.683 -2.779 1.00 0.00 H new ATOM 681 N GLU A 42 7.149 -5.351 0.149 1.00 0.00 N ATOM 682 CA GLU A 42 8.012 -6.565 0.170 1.00 0.00 C ATOM 683 C GLU A 42 7.157 -7.791 0.489 1.00 0.00 C ATOM 684 O GLU A 42 7.399 -8.874 -0.005 1.00 0.00 O ATOM 685 CB GLU A 42 9.097 -6.406 1.237 1.00 0.00 C ATOM 686 CG GLU A 42 10.333 -7.212 0.830 1.00 0.00 C ATOM 687 CD GLU A 42 9.902 -8.602 0.358 1.00 0.00 C ATOM 688 OE1 GLU A 42 9.738 -9.468 1.203 1.00 0.00 O ATOM 689 OE2 GLU A 42 9.744 -8.778 -0.838 1.00 0.00 O ATOM 0 H GLU A 42 7.318 -4.684 0.902 1.00 0.00 H new ATOM 0 HA GLU A 42 8.482 -6.693 -0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.357 -5.354 1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.726 -6.751 2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.871 -6.696 0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.018 -7.299 1.673 1.00 0.00 H new ATOM 696 N ASP A 43 6.152 -7.628 1.306 1.00 0.00 N ATOM 697 CA ASP A 43 5.280 -8.784 1.649 1.00 0.00 C ATOM 698 C ASP A 43 4.603 -9.290 0.374 1.00 0.00 C ATOM 699 O ASP A 43 4.272 -10.452 0.251 1.00 0.00 O ATOM 700 CB ASP A 43 4.220 -8.339 2.656 1.00 0.00 C ATOM 701 CG ASP A 43 3.357 -9.539 3.054 1.00 0.00 C ATOM 702 OD1 ASP A 43 2.458 -9.874 2.302 1.00 0.00 O ATOM 703 OD2 ASP A 43 3.614 -10.104 4.105 1.00 0.00 O ATOM 0 H ASP A 43 5.898 -6.745 1.749 1.00 0.00 H new ATOM 0 HA ASP A 43 5.877 -9.583 2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.698 -7.913 3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.597 -7.557 2.222 1.00 0.00 H new ATOM 708 N ILE A 44 4.406 -8.422 -0.581 1.00 0.00 N ATOM 709 CA ILE A 44 3.762 -8.845 -1.857 1.00 0.00 C ATOM 710 C ILE A 44 4.795 -9.565 -2.719 1.00 0.00 C ATOM 711 O ILE A 44 4.564 -10.651 -3.212 1.00 0.00 O ATOM 712 CB ILE A 44 3.259 -7.615 -2.607 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.026 -7.054 -1.900 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.891 -8.008 -4.037 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.150 -5.534 -1.776 1.00 0.00 C ATOM 0 H ILE A 44 4.664 -7.436 -0.532 1.00 0.00 H new ATOM 0 HA ILE A 44 2.925 -9.509 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 44 4.042 -6.856 -2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.126 -7.311 -2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.926 -7.502 -0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.531 -7.131 -4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.770 -8.408 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.108 -8.766 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.269 -5.137 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.041 -5.288 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.228 -5.093 -2.770 1.00 0.00 H new ATOM 727 N HIS A 45 5.939 -8.966 -2.902 1.00 0.00 N ATOM 728 CA HIS A 45 6.990 -9.615 -3.728 1.00 0.00 C ATOM 729 C HIS A 45 7.210 -11.036 -3.211 1.00 0.00 C ATOM 730 O HIS A 45 7.579 -11.930 -3.947 1.00 0.00 O ATOM 731 CB HIS A 45 8.295 -8.824 -3.615 1.00 0.00 C ATOM 732 CG HIS A 45 8.851 -8.572 -4.989 1.00 0.00 C ATOM 733 ND1 HIS A 45 8.890 -9.560 -5.963 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.389 -7.451 -5.570 1.00 0.00 C ATOM 735 CE1 HIS A 45 9.436 -9.020 -7.069 1.00 0.00 C ATOM 736 NE2 HIS A 45 9.756 -7.738 -6.880 1.00 0.00 N ATOM 0 H HIS A 45 6.189 -8.056 -2.515 1.00 0.00 H new ATOM 0 HA HIS A 45 6.678 -9.641 -4.772 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.116 -7.878 -3.105 1.00 0.00 H new ATOM 0 HB3 HIS A 45 9.017 -9.378 -3.015 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.509 -6.494 -5.085 1.00 0.00 H new ATOM 0 HE1 HIS A 45 9.595 -9.557 -7.993 1.00 0.00 H new ATOM 0 HE2 HIS A 45 10.181 -7.102 -7.555 1.00 0.00 H new ATOM 745 N ASP A 46 6.976 -11.247 -1.944 1.00 0.00 N ATOM 746 CA ASP A 46 7.162 -12.606 -1.367 1.00 0.00 C ATOM 747 C ASP A 46 5.918 -13.446 -1.659 1.00 0.00 C ATOM 748 O ASP A 46 5.912 -14.647 -1.477 1.00 0.00 O ATOM 749 CB ASP A 46 7.363 -12.496 0.148 1.00 0.00 C ATOM 750 CG ASP A 46 8.691 -13.149 0.535 1.00 0.00 C ATOM 751 OD1 ASP A 46 8.984 -14.210 0.008 1.00 0.00 O ATOM 752 OD2 ASP A 46 9.394 -12.578 1.353 1.00 0.00 O ATOM 0 H ASP A 46 6.664 -10.535 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 46 8.038 -13.079 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.358 -11.449 0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.540 -12.983 0.671 1.00 0.00 H new ATOM 757 N PHE A 47 4.865 -12.824 -2.117 1.00 0.00 N ATOM 758 CA PHE A 47 3.630 -13.593 -2.423 1.00 0.00 C ATOM 759 C PHE A 47 3.806 -14.293 -3.772 1.00 0.00 C ATOM 760 O PHE A 47 3.123 -15.248 -4.082 1.00 0.00 O ATOM 761 CB PHE A 47 2.437 -12.639 -2.484 1.00 0.00 C ATOM 762 CG PHE A 47 1.167 -13.435 -2.657 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.756 -13.828 -3.936 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.402 -13.782 -1.539 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.421 -14.569 -4.096 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.775 -14.523 -1.698 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.186 -14.917 -2.977 1.00 0.00 C ATOM 0 H PHE A 47 4.809 -11.821 -2.291 1.00 0.00 H new ATOM 0 HA PHE A 47 3.450 -14.336 -1.646 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.385 -12.045 -1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.557 -11.941 -3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.347 -13.560 -4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.719 -13.478 -0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.739 -14.872 -5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.366 -14.791 -0.834 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.093 -15.490 -3.100 1.00 0.00 H new ATOM 777 N MET A 48 4.728 -13.827 -4.571 1.00 0.00 N ATOM 778 CA MET A 48 4.962 -14.468 -5.895 1.00 0.00 C ATOM 779 C MET A 48 5.724 -15.777 -5.683 1.00 0.00 C ATOM 780 O MET A 48 5.402 -16.797 -6.260 1.00 0.00 O ATOM 781 CB MET A 48 5.792 -13.534 -6.779 1.00 0.00 C ATOM 782 CG MET A 48 5.494 -12.079 -6.410 1.00 0.00 C ATOM 783 SD MET A 48 5.462 -11.070 -7.914 1.00 0.00 S ATOM 784 CE MET A 48 7.173 -11.366 -8.425 1.00 0.00 C ATOM 0 H MET A 48 5.329 -13.030 -4.363 1.00 0.00 H new ATOM 0 HA MET A 48 4.007 -14.668 -6.381 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.854 -13.742 -6.649 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.559 -13.708 -7.829 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.536 -12.012 -5.894 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.253 -11.704 -5.723 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.534 -10.513 -9.000 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.798 -11.500 -7.542 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.219 -12.264 -9.041 1.00 0.00 H new ATOM 794 N GLN A 49 6.732 -15.754 -4.854 1.00 0.00 N ATOM 795 CA GLN A 49 7.515 -16.994 -4.596 1.00 0.00 C ATOM 796 C GLN A 49 6.878 -17.759 -3.436 1.00 0.00 C ATOM 797 O GLN A 49 6.897 -18.973 -3.396 1.00 0.00 O ATOM 798 CB GLN A 49 8.953 -16.622 -4.234 1.00 0.00 C ATOM 799 CG GLN A 49 8.947 -15.438 -3.266 1.00 0.00 C ATOM 800 CD GLN A 49 9.305 -14.158 -4.023 1.00 0.00 C ATOM 801 OE1 GLN A 49 10.247 -13.475 -3.673 1.00 0.00 O ATOM 802 NE2 GLN A 49 8.588 -13.801 -5.054 1.00 0.00 N ATOM 0 H GLN A 49 7.047 -14.929 -4.344 1.00 0.00 H new ATOM 0 HA GLN A 49 7.517 -17.619 -5.489 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.457 -17.475 -3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.511 -16.366 -5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.965 -15.337 -2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.662 -15.609 -2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.797 -14.374 -5.348 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.819 -12.949 -5.565 1.00 0.00 H new ATOM 811 N GLY A 50 6.304 -17.059 -2.497 1.00 0.00 N ATOM 812 CA GLY A 50 5.660 -17.749 -1.346 1.00 0.00 C ATOM 813 C GLY A 50 4.699 -18.814 -1.876 1.00 0.00 C ATOM 814 O GLY A 50 4.099 -19.555 -1.124 1.00 0.00 O ATOM 0 H GLY A 50 6.253 -16.040 -2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.418 -18.208 -0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.121 -17.029 -0.730 1.00 0.00 H new ATOM 818 N GLY A 51 4.553 -18.896 -3.172 1.00 0.00 N ATOM 819 CA GLY A 51 3.635 -19.914 -3.758 1.00 0.00 C ATOM 820 C GLY A 51 2.185 -19.525 -3.465 1.00 0.00 C ATOM 821 O GLY A 51 1.329 -19.596 -4.323 1.00 0.00 O ATOM 0 H GLY A 51 5.030 -18.301 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.793 -19.985 -4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.850 -20.897 -3.339 1.00 0.00 H new ATOM 825 N GLY A 52 1.904 -19.116 -2.260 1.00 0.00 N ATOM 826 CA GLY A 52 0.510 -18.725 -1.909 1.00 0.00 C ATOM 827 C GLY A 52 0.348 -18.772 -0.392 1.00 0.00 C ATOM 828 O GLY A 52 -0.463 -19.506 0.137 1.00 0.00 O ATOM 0 H GLY A 52 2.581 -19.035 -1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.295 -17.723 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.202 -19.400 -2.385 1.00 0.00 H new ATOM 832 N SER A 53 1.125 -17.999 0.315 1.00 0.00 N ATOM 833 CA SER A 53 1.029 -18.000 1.799 1.00 0.00 C ATOM 834 C SER A 53 0.018 -16.947 2.251 1.00 0.00 C ATOM 835 O SER A 53 0.378 -15.909 2.771 1.00 0.00 O ATOM 836 CB SER A 53 2.400 -17.678 2.394 1.00 0.00 C ATOM 837 OG SER A 53 3.415 -18.166 1.525 1.00 0.00 O ATOM 0 H SER A 53 1.824 -17.366 -0.073 1.00 0.00 H new ATOM 0 HA SER A 53 0.702 -18.982 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.507 -16.602 2.529 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.498 -18.134 3.379 1.00 0.00 H new ATOM 0 HG SER A 53 4.296 -17.960 1.902 1.00 0.00 H new ATOM 843 N GLY A 54 -1.247 -17.205 2.063 1.00 0.00 N ATOM 844 CA GLY A 54 -2.277 -16.216 2.489 1.00 0.00 C ATOM 845 C GLY A 54 -2.061 -15.870 3.961 1.00 0.00 C ATOM 846 O GLY A 54 -2.651 -14.947 4.487 1.00 0.00 O ATOM 0 H GLY A 54 -1.611 -18.056 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.209 -15.316 1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.276 -16.627 2.342 1.00 0.00 H new ATOM 850 N GLY A 55 -1.213 -16.602 4.632 1.00 0.00 N ATOM 851 CA GLY A 55 -0.952 -16.313 6.068 1.00 0.00 C ATOM 852 C GLY A 55 0.096 -15.207 6.170 1.00 0.00 C ATOM 853 O GLY A 55 0.121 -14.444 7.115 1.00 0.00 O ATOM 0 H GLY A 55 -0.690 -17.388 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.873 -16.006 6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.601 -17.212 6.575 1.00 0.00 H new ATOM 857 N LYS A 56 0.960 -15.114 5.198 1.00 0.00 N ATOM 858 CA LYS A 56 2.004 -14.055 5.232 1.00 0.00 C ATOM 859 C LYS A 56 1.353 -12.705 4.934 1.00 0.00 C ATOM 860 O LYS A 56 1.677 -11.701 5.536 1.00 0.00 O ATOM 861 CB LYS A 56 3.073 -14.352 4.178 1.00 0.00 C ATOM 862 CG LYS A 56 4.311 -13.491 4.443 1.00 0.00 C ATOM 863 CD LYS A 56 5.549 -14.388 4.533 1.00 0.00 C ATOM 864 CE LYS A 56 5.609 -15.039 5.916 1.00 0.00 C ATOM 865 NZ LYS A 56 5.978 -16.476 5.774 1.00 0.00 N ATOM 0 H LYS A 56 0.988 -15.726 4.382 1.00 0.00 H new ATOM 0 HA LYS A 56 2.470 -14.030 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.340 -15.408 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.682 -14.147 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.436 -12.760 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.186 -12.932 5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.512 -15.155 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.450 -13.801 4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.340 -14.525 6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.644 -14.948 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.019 -16.919 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.265 -16.962 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.908 -16.552 5.315 1.00 0.00 H new ATOM 879 N LEU A 57 0.431 -12.675 4.009 1.00 0.00 N ATOM 880 CA LEU A 57 -0.246 -11.393 3.675 1.00 0.00 C ATOM 881 C LEU A 57 -0.924 -10.842 4.927 1.00 0.00 C ATOM 882 O LEU A 57 -0.590 -9.781 5.411 1.00 0.00 O ATOM 883 CB LEU A 57 -1.302 -11.634 2.595 1.00 0.00 C ATOM 884 CG LEU A 57 -1.743 -10.292 2.007 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.746 -10.537 0.882 1.00 0.00 C ATOM 886 CD2 LEU A 57 -2.405 -9.443 3.098 1.00 0.00 C ATOM 0 H LEU A 57 0.119 -13.484 3.472 1.00 0.00 H new ATOM 0 HA LEU A 57 0.491 -10.679 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.896 -12.272 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.159 -12.157 3.019 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.872 -9.766 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.062 -9.582 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.279 -11.140 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.614 -11.064 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.718 -8.488 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.275 -9.969 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.693 -9.267 3.905 1.00 0.00 H new ATOM 898 N GLN A 58 -1.878 -11.553 5.457 1.00 0.00 N ATOM 899 CA GLN A 58 -2.569 -11.061 6.677 1.00 0.00 C ATOM 900 C GLN A 58 -1.524 -10.531 7.658 1.00 0.00 C ATOM 901 O GLN A 58 -1.844 -9.877 8.631 1.00 0.00 O ATOM 902 CB GLN A 58 -3.356 -12.206 7.313 1.00 0.00 C ATOM 903 CG GLN A 58 -4.674 -12.394 6.556 1.00 0.00 C ATOM 904 CD GLN A 58 -4.455 -12.108 5.067 1.00 0.00 C ATOM 905 OE1 GLN A 58 -3.760 -12.840 4.392 1.00 0.00 O ATOM 906 NE2 GLN A 58 -5.024 -11.065 4.522 1.00 0.00 N ATOM 0 H GLN A 58 -2.207 -12.450 5.099 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.261 -10.260 6.418 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.771 -13.125 7.283 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.554 -11.988 8.363 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.041 -13.411 6.691 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.435 -11.724 6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.608 -10.449 5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.884 -10.867 3.531 1.00 0.00 H new ATOM 915 N GLU A 59 -0.270 -10.792 7.398 1.00 0.00 N ATOM 916 CA GLU A 59 0.800 -10.290 8.300 1.00 0.00 C ATOM 917 C GLU A 59 1.017 -8.802 8.019 1.00 0.00 C ATOM 918 O GLU A 59 0.891 -7.970 8.896 1.00 0.00 O ATOM 919 CB GLU A 59 2.098 -11.056 8.037 1.00 0.00 C ATOM 920 CG GLU A 59 2.934 -11.101 9.317 1.00 0.00 C ATOM 921 CD GLU A 59 4.334 -11.627 8.995 1.00 0.00 C ATOM 922 OE1 GLU A 59 5.186 -10.821 8.660 1.00 0.00 O ATOM 923 OE2 GLU A 59 4.529 -12.827 9.088 1.00 0.00 O ATOM 0 H GLU A 59 0.057 -11.333 6.597 1.00 0.00 H new ATOM 0 HA GLU A 59 0.508 -10.435 9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.873 -12.068 7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.662 -10.573 7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.000 -10.105 9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.454 -11.743 10.055 1.00 0.00 H new ATOM 930 N MET A 60 1.326 -8.456 6.796 1.00 0.00 N ATOM 931 CA MET A 60 1.528 -7.020 6.464 1.00 0.00 C ATOM 932 C MET A 60 0.179 -6.309 6.539 1.00 0.00 C ATOM 933 O MET A 60 0.102 -5.100 6.635 1.00 0.00 O ATOM 934 CB MET A 60 2.104 -6.886 5.049 1.00 0.00 C ATOM 935 CG MET A 60 1.095 -7.413 4.025 1.00 0.00 C ATOM 936 SD MET A 60 -0.235 -6.206 3.803 1.00 0.00 S ATOM 937 CE MET A 60 -0.591 -6.579 2.068 1.00 0.00 C ATOM 0 H MET A 60 1.446 -9.105 6.018 1.00 0.00 H new ATOM 0 HA MET A 60 2.227 -6.572 7.170 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.337 -5.842 4.839 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.038 -7.443 4.973 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.592 -7.600 3.073 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.683 -8.364 4.362 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.669 -6.575 1.909 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.127 -5.826 1.431 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.191 -7.562 1.818 1.00 0.00 H new ATOM 947 N MET A 61 -0.891 -7.059 6.500 1.00 0.00 N ATOM 948 CA MET A 61 -2.242 -6.438 6.574 1.00 0.00 C ATOM 949 C MET A 61 -2.252 -5.410 7.704 1.00 0.00 C ATOM 950 O MET A 61 -2.813 -4.340 7.578 1.00 0.00 O ATOM 951 CB MET A 61 -3.286 -7.527 6.846 1.00 0.00 C ATOM 952 CG MET A 61 -4.484 -6.929 7.584 1.00 0.00 C ATOM 953 SD MET A 61 -5.979 -7.849 7.145 1.00 0.00 S ATOM 954 CE MET A 61 -6.482 -8.281 8.827 1.00 0.00 C ATOM 0 H MET A 61 -0.885 -8.076 6.420 1.00 0.00 H new ATOM 0 HA MET A 61 -2.481 -5.944 5.632 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.612 -7.972 5.906 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.844 -8.326 7.441 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.320 -6.972 8.661 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.600 -5.878 7.321 1.00 0.00 H new ATOM 0 HE1 MET A 61 -7.403 -8.863 8.793 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.697 -8.870 9.301 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.650 -7.370 9.402 1.00 0.00 H new ATOM 964 N LYS A 62 -1.624 -5.719 8.805 1.00 0.00 N ATOM 965 CA LYS A 62 -1.586 -4.749 9.934 1.00 0.00 C ATOM 966 C LYS A 62 -0.811 -3.510 9.488 1.00 0.00 C ATOM 967 O LYS A 62 -1.138 -2.396 9.844 1.00 0.00 O ATOM 968 CB LYS A 62 -0.893 -5.392 11.137 1.00 0.00 C ATOM 969 CG LYS A 62 -1.557 -6.734 11.450 1.00 0.00 C ATOM 970 CD LYS A 62 -1.243 -7.138 12.892 1.00 0.00 C ATOM 971 CE LYS A 62 -1.654 -8.594 13.113 1.00 0.00 C ATOM 972 NZ LYS A 62 -1.078 -9.086 14.397 1.00 0.00 N ATOM 0 H LYS A 62 -1.137 -6.600 8.971 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.599 -4.466 10.220 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.166 -5.539 10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.956 -4.732 12.002 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.635 -6.659 11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.198 -7.498 10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.179 -7.015 13.092 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.775 -6.489 13.587 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.741 -8.677 13.135 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.304 -9.211 12.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.358 -10.076 14.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.041 -9.022 14.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.433 -8.504 15.182 1.00 0.00 H new ATOM 986 N GLU A 63 0.210 -3.699 8.696 1.00 0.00 N ATOM 987 CA GLU A 63 1.003 -2.543 8.210 1.00 0.00 C ATOM 988 C GLU A 63 0.215 -1.838 7.104 1.00 0.00 C ATOM 989 O GLU A 63 0.046 -0.634 7.117 1.00 0.00 O ATOM 990 CB GLU A 63 2.334 -3.047 7.657 1.00 0.00 C ATOM 991 CG GLU A 63 3.448 -2.764 8.668 1.00 0.00 C ATOM 992 CD GLU A 63 3.798 -1.275 8.638 1.00 0.00 C ATOM 993 OE1 GLU A 63 4.334 -0.833 7.635 1.00 0.00 O ATOM 994 OE2 GLU A 63 3.526 -0.603 9.619 1.00 0.00 O ATOM 0 H GLU A 63 0.527 -4.610 8.365 1.00 0.00 H new ATOM 0 HA GLU A 63 1.194 -1.845 9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.274 -4.117 7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.555 -2.556 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.127 -3.053 9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.329 -3.360 8.431 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.286 -2.581 6.153 1.00 0.00 N ATOM 1002 CA PHE A 64 -1.079 -1.953 5.060 1.00 0.00 C ATOM 1003 C PHE A 64 -2.191 -1.113 5.692 1.00 0.00 C ATOM 1004 O PHE A 64 -2.538 -0.054 5.208 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.699 -3.050 4.182 1.00 0.00 C ATOM 1006 CG PHE A 64 -2.218 -2.451 2.891 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -3.286 -1.545 2.915 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.627 -2.799 1.668 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -3.759 -0.986 1.725 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -2.104 -2.239 0.476 1.00 0.00 C ATOM 1011 CZ PHE A 64 -3.169 -1.331 0.505 1.00 0.00 C ATOM 0 H PHE A 64 -0.180 -3.593 6.087 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.438 -1.323 4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.955 -3.816 3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.512 -3.539 4.718 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.745 -1.278 3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.804 -3.498 1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.581 -0.286 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.650 -2.508 -0.466 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.535 -0.897 -0.414 1.00 0.00 H new ATOM 1021 N GLN A 65 -2.751 -1.587 6.773 1.00 0.00 N ATOM 1022 CA GLN A 65 -3.847 -0.832 7.447 1.00 0.00 C ATOM 1023 C GLN A 65 -3.267 0.357 8.217 1.00 0.00 C ATOM 1024 O GLN A 65 -3.993 1.195 8.716 1.00 0.00 O ATOM 1025 CB GLN A 65 -4.571 -1.762 8.423 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.049 -1.368 8.509 1.00 0.00 C ATOM 1027 CD GLN A 65 -6.879 -2.300 7.626 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -7.842 -1.880 7.016 1.00 0.00 O ATOM 1029 NE2 GLN A 65 -6.545 -3.558 7.531 1.00 0.00 N ATOM 0 H GLN A 65 -2.496 -2.468 7.220 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.546 -0.464 6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.479 -2.796 8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.110 -1.701 9.409 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.392 -1.427 9.542 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.180 -0.334 8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.737 -3.911 8.043 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.092 -4.188 6.945 1.00 0.00 H new ATOM 1038 N GLN A 66 -1.969 0.445 8.319 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.363 1.589 9.058 1.00 0.00 C ATOM 1040 C GLN A 66 -1.209 2.770 8.102 1.00 0.00 C ATOM 1041 O GLN A 66 -1.436 3.907 8.461 1.00 0.00 O ATOM 1042 CB GLN A 66 0.005 1.183 9.613 1.00 0.00 C ATOM 1043 CG GLN A 66 -0.190 0.345 10.878 1.00 0.00 C ATOM 1044 CD GLN A 66 -0.108 1.251 12.109 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -0.746 2.283 12.161 1.00 0.00 O ATOM 1046 NE2 GLN A 66 0.656 0.904 13.108 1.00 0.00 N ATOM 0 H GLN A 66 -1.305 -0.222 7.925 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.007 1.873 9.890 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.558 0.612 8.867 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.597 2.070 9.839 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.156 -0.159 10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.573 -0.432 10.934 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.191 0.037 13.063 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.718 1.500 13.934 1.00 0.00 H new ATOM 1055 N VAL A 67 -0.844 2.508 6.878 1.00 0.00 N ATOM 1056 CA VAL A 67 -0.700 3.614 5.896 1.00 0.00 C ATOM 1057 C VAL A 67 -2.092 4.141 5.570 1.00 0.00 C ATOM 1058 O VAL A 67 -2.320 5.330 5.482 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.046 3.079 4.623 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.847 4.156 4.004 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.800 1.860 4.974 1.00 0.00 C ATOM 0 H VAL A 67 -0.640 1.576 6.517 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.080 4.411 6.307 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.819 2.802 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.310 3.768 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.245 5.031 3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.623 4.438 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.271 1.471 4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.570 2.146 5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.165 1.090 5.412 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.027 3.248 5.400 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.417 3.664 5.083 1.00 0.00 C ATOM 1073 C LEU A 68 -4.885 4.717 6.092 1.00 0.00 C ATOM 1074 O LEU A 68 -5.389 5.761 5.729 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.335 2.441 5.174 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.467 2.552 4.150 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.539 1.511 4.471 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -7.090 3.948 4.211 1.00 0.00 C ATOM 0 H LEU A 68 -2.884 2.240 5.468 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.451 4.086 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.761 1.532 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.750 2.363 6.179 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.066 2.379 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.348 1.586 3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.102 0.513 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.932 1.690 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.895 4.020 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.490 4.124 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.329 4.696 3.988 1.00 0.00 H new ATOM 1090 N ASP A 69 -4.736 4.437 7.358 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.185 5.401 8.404 1.00 0.00 C ATOM 1092 C ASP A 69 -4.186 6.555 8.535 1.00 0.00 C ATOM 1093 O ASP A 69 -4.477 7.570 9.136 1.00 0.00 O ATOM 1094 CB ASP A 69 -5.294 4.669 9.742 1.00 0.00 C ATOM 1095 CG ASP A 69 -3.954 4.010 10.074 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -2.938 4.665 9.909 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -3.965 2.862 10.487 1.00 0.00 O ATOM 0 H ASP A 69 -4.320 3.577 7.715 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.154 5.810 8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.572 5.369 10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.080 3.915 9.693 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.010 6.413 7.990 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.008 7.512 8.104 1.00 0.00 C ATOM 1104 C GLU A 70 -2.298 8.590 7.058 1.00 0.00 C ATOM 1105 O GLU A 70 -2.380 9.761 7.371 1.00 0.00 O ATOM 1106 CB GLU A 70 -0.605 6.944 7.883 1.00 0.00 C ATOM 1107 CG GLU A 70 0.293 7.307 9.068 1.00 0.00 C ATOM 1108 CD GLU A 70 0.692 8.781 8.975 1.00 0.00 C ATOM 1109 OE1 GLU A 70 1.154 9.185 7.922 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.530 9.481 9.962 1.00 0.00 O ATOM 0 H GLU A 70 -2.700 5.590 7.474 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.069 7.955 9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.655 5.861 7.771 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.183 7.341 6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.231 7.120 10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.183 6.678 9.069 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.457 8.212 5.820 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.742 9.235 4.774 1.00 0.00 C ATOM 1119 C ILE A 71 -4.196 9.692 4.904 1.00 0.00 C ATOM 1120 O ILE A 71 -4.505 10.857 4.760 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.507 8.650 3.377 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -2.027 7.198 3.489 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.443 9.480 2.653 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -1.469 6.741 2.139 1.00 0.00 C ATOM 0 H ILE A 71 -2.403 7.249 5.489 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.073 10.084 4.912 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.442 8.675 2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.260 7.115 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.852 6.553 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.273 9.067 1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.785 10.511 2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.513 9.454 3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.127 5.709 2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.249 6.809 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.632 7.380 1.856 1.00 0.00 H new ATOM 1136 N LYS A 72 -5.093 8.786 5.185 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.520 9.180 5.333 1.00 0.00 C ATOM 1138 C LYS A 72 -6.593 10.500 6.102 1.00 0.00 C ATOM 1139 O LYS A 72 -7.502 11.287 5.923 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.271 8.088 6.104 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.736 8.495 6.295 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.543 8.126 5.048 1.00 0.00 C ATOM 1143 CE LYS A 72 -11.028 8.063 5.408 1.00 0.00 C ATOM 1144 NZ LYS A 72 -11.434 9.337 6.067 1.00 0.00 N ATOM 0 H LYS A 72 -4.899 7.794 5.318 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.977 9.303 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.215 7.144 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.800 7.927 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.151 7.994 7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.804 9.567 6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.378 8.864 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.211 7.164 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.624 7.899 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.216 7.221 6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.470 9.429 6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.115 9.333 7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.001 10.140 5.567 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.639 10.751 6.958 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.649 12.021 7.738 1.00 0.00 C ATOM 1160 C GLN A 73 -5.027 13.138 6.899 1.00 0.00 C ATOM 1161 O GLN A 73 -5.583 14.210 6.764 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.835 11.839 9.021 1.00 0.00 C ATOM 1163 CG GLN A 73 -5.784 11.712 10.214 1.00 0.00 C ATOM 1164 CD GLN A 73 -6.735 10.535 9.990 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -7.829 10.514 10.518 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -6.361 9.546 9.225 1.00 0.00 N ATOM 0 H GLN A 73 -4.853 10.130 7.151 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.676 12.282 7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.209 10.950 8.944 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.166 12.688 9.163 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.214 11.563 11.131 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.353 12.633 10.339 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.443 9.563 8.782 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.987 8.756 9.071 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.875 12.898 6.336 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.214 13.949 5.510 1.00 0.00 C ATOM 1177 C GLN A 74 -4.231 14.569 4.548 1.00 0.00 C ATOM 1178 O GLN A 74 -4.045 15.667 4.060 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.071 13.326 4.706 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.155 12.536 5.642 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.198 13.494 6.352 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.083 13.333 7.524 1.00 0.00 O ATOM 1183 NE2 GLN A 74 0.320 14.492 5.689 1.00 0.00 N ATOM 0 H GLN A 74 -3.362 12.020 6.412 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.819 14.724 6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.472 12.669 3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.503 14.106 4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.750 11.991 6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.590 11.796 5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.085 14.628 4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.960 15.136 6.154 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.302 13.878 4.267 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.321 14.437 3.334 1.00 0.00 C ATOM 1194 C LEU A 75 -6.936 15.699 3.945 1.00 0.00 C ATOM 1195 O LEU A 75 -7.832 16.297 3.383 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.419 13.399 3.090 1.00 0.00 C ATOM 1197 CG LEU A 75 -7.101 12.605 1.822 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -7.060 13.550 0.620 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.741 11.922 1.977 1.00 0.00 C ATOM 0 H LEU A 75 -5.515 12.954 4.642 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.844 14.688 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.493 12.726 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.385 13.893 2.989 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.873 11.852 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.833 12.982 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.028 14.038 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.289 14.305 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.513 11.356 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.971 12.677 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.769 11.246 2.832 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.462 16.109 5.090 1.00 0.00 N ATOM 1212 CA GLN A 76 -7.024 17.333 5.730 1.00 0.00 C ATOM 1213 C GLN A 76 -6.454 18.576 5.044 1.00 0.00 C ATOM 1214 O GLN A 76 -7.120 19.584 4.914 1.00 0.00 O ATOM 1215 CB GLN A 76 -6.652 17.354 7.214 1.00 0.00 C ATOM 1216 CG GLN A 76 -7.261 18.593 7.874 1.00 0.00 C ATOM 1217 CD GLN A 76 -7.584 18.288 9.338 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -6.704 18.260 10.174 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -8.821 18.059 9.685 1.00 0.00 N ATOM 0 H GLN A 76 -5.712 15.651 5.609 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.109 17.327 5.629 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.016 16.451 7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.568 17.363 7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.565 19.430 7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.167 18.891 7.346 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.560 18.083 8.983 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.048 17.857 10.658 1.00 0.00 H new ATOM 1228 N GLY A 77 -5.228 18.515 4.602 1.00 0.00 N ATOM 1229 CA GLY A 77 -4.622 19.694 3.924 1.00 0.00 C ATOM 1230 C GLY A 77 -5.117 19.756 2.477 1.00 0.00 C ATOM 1231 O GLY A 77 -6.137 19.190 2.137 1.00 0.00 O ATOM 0 H GLY A 77 -4.620 17.700 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.891 20.609 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.535 19.621 3.946 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.403 20.437 1.624 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.834 20.531 0.200 1.00 0.00 C ATOM 1237 C GLY A 78 -4.353 19.293 -0.561 1.00 0.00 C ATOM 1238 O GLY A 78 -4.149 19.328 -1.758 1.00 0.00 O ATOM 0 H GLY A 78 -3.541 20.932 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.920 20.608 0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.426 21.433 -0.256 1.00 0.00 H new ATOM 1242 N ASP A 79 -4.173 18.197 0.125 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.707 16.957 -0.557 1.00 0.00 C ATOM 1244 C ASP A 79 -4.823 16.424 -1.460 1.00 0.00 C ATOM 1245 O ASP A 79 -4.999 15.229 -1.600 1.00 0.00 O ATOM 1246 CB ASP A 79 -3.352 15.897 0.488 1.00 0.00 C ATOM 1247 CG ASP A 79 -3.108 16.569 1.841 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -3.998 17.262 2.306 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -2.035 16.377 2.389 1.00 0.00 O ATOM 0 H ASP A 79 -4.329 18.107 1.129 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.826 17.184 -1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.160 15.170 0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.462 15.349 0.177 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.577 17.295 -2.072 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.677 16.827 -2.961 1.00 0.00 C ATOM 1256 C ASN A 80 -6.118 15.822 -3.969 1.00 0.00 C ATOM 1257 O ASN A 80 -6.846 15.243 -4.753 1.00 0.00 O ATOM 1258 CB ASN A 80 -7.280 18.021 -3.706 1.00 0.00 C ATOM 1259 CG ASN A 80 -6.327 19.215 -3.617 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -5.358 19.288 -4.345 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -6.564 20.161 -2.750 1.00 0.00 N ATOM 0 H ASN A 80 -5.479 18.307 -1.995 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.452 16.350 -2.362 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.456 17.760 -4.750 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.247 18.281 -3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.935 20.962 -2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.378 20.100 -2.138 1.00 0.00 H new ATOM 1268 N SER A 81 -4.834 15.596 -3.944 1.00 0.00 N ATOM 1269 CA SER A 81 -4.232 14.614 -4.883 1.00 0.00 C ATOM 1270 C SER A 81 -4.323 13.236 -4.242 1.00 0.00 C ATOM 1271 O SER A 81 -4.726 12.271 -4.861 1.00 0.00 O ATOM 1272 CB SER A 81 -2.767 14.970 -5.136 1.00 0.00 C ATOM 1273 OG SER A 81 -2.549 15.096 -6.535 1.00 0.00 O ATOM 0 H SER A 81 -4.176 16.051 -3.312 1.00 0.00 H new ATOM 0 HA SER A 81 -4.762 14.626 -5.836 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.515 15.903 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.117 14.199 -4.723 1.00 0.00 H new ATOM 0 HG SER A 81 -1.766 14.566 -6.793 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.969 13.142 -2.991 1.00 0.00 N ATOM 1280 CA LEU A 82 -4.056 11.837 -2.295 1.00 0.00 C ATOM 1281 C LEU A 82 -5.499 11.351 -2.383 1.00 0.00 C ATOM 1282 O LEU A 82 -5.767 10.175 -2.531 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.651 12.012 -0.838 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.129 11.948 -0.747 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.519 13.027 -1.643 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.690 12.178 0.697 1.00 0.00 C ATOM 0 H LEU A 82 -3.623 13.916 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.388 11.109 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.013 12.966 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.100 11.232 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.789 10.966 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.432 12.982 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.828 12.861 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.861 14.009 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.603 12.132 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.031 13.159 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.123 11.408 1.336 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.431 12.263 -2.316 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.862 11.873 -2.419 1.00 0.00 C ATOM 1300 C HIS A 83 -8.003 10.875 -3.565 1.00 0.00 C ATOM 1301 O HIS A 83 -8.861 10.014 -3.559 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.709 13.114 -2.712 1.00 0.00 C ATOM 1303 CG HIS A 83 -10.151 12.825 -2.400 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.539 11.740 -1.624 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -11.313 13.469 -2.751 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.882 11.764 -1.535 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -12.399 12.796 -2.204 1.00 0.00 N ATOM 0 H HIS A 83 -6.261 13.261 -2.194 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.201 11.425 -1.485 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.359 13.955 -2.114 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.603 13.400 -3.758 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.373 14.360 -3.358 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.468 11.038 -0.990 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -13.385 13.040 -2.295 1.00 0.00 H new ATOM 1316 N ASN A 84 -7.147 10.980 -4.546 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.203 10.036 -5.694 1.00 0.00 C ATOM 1318 C ASN A 84 -6.176 8.926 -5.472 1.00 0.00 C ATOM 1319 O ASN A 84 -6.403 7.780 -5.804 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.879 10.785 -6.990 1.00 0.00 C ATOM 1321 CG ASN A 84 -6.987 12.292 -6.753 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -6.144 13.051 -7.192 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -7.995 12.764 -6.072 1.00 0.00 N ATOM 0 H ASN A 84 -6.409 11.682 -4.600 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.201 9.605 -5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.874 10.531 -7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.566 10.481 -7.779 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.075 13.768 -5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.703 12.129 -5.703 1.00 0.00 H new ATOM 1330 N VAL A 85 -5.048 9.256 -4.900 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.012 8.223 -4.644 1.00 0.00 C ATOM 1332 C VAL A 85 -4.367 7.473 -3.362 1.00 0.00 C ATOM 1333 O VAL A 85 -4.435 6.261 -3.337 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.656 8.904 -4.478 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.548 7.914 -4.818 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.567 10.108 -5.418 1.00 0.00 C ATOM 0 H VAL A 85 -4.803 10.199 -4.600 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.967 7.523 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.544 9.240 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.579 8.398 -4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.609 7.056 -4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.663 7.579 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.598 10.593 -5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.680 9.774 -6.449 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.359 10.817 -5.178 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.605 8.189 -2.297 1.00 0.00 N ATOM 1347 CA HIS A 86 -4.967 7.517 -1.021 1.00 0.00 C ATOM 1348 C HIS A 86 -6.176 6.614 -1.267 1.00 0.00 C ATOM 1349 O HIS A 86 -6.330 5.582 -0.645 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.312 8.574 0.032 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.268 7.990 1.039 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -7.645 8.042 0.867 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.061 7.340 2.230 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.208 7.437 1.930 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -7.286 6.994 2.787 1.00 0.00 N ATOM 0 H HIS A 86 -4.564 9.207 -2.257 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.129 6.919 -0.662 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.405 8.914 0.531 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.759 9.446 -0.446 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -8.139 8.462 0.080 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.096 7.130 2.666 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.273 7.324 2.071 1.00 0.00 H new ATOM 1364 N GLU A 87 -7.030 6.991 -2.179 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.221 6.149 -2.473 1.00 0.00 C ATOM 1366 C GLU A 87 -7.755 4.843 -3.117 1.00 0.00 C ATOM 1367 O GLU A 87 -8.412 3.826 -3.029 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.152 6.891 -3.434 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.136 5.898 -4.059 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.388 6.644 -4.525 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -11.255 7.785 -4.936 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -12.458 6.061 -4.464 1.00 0.00 O ATOM 0 H GLU A 87 -6.954 7.845 -2.732 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.760 5.936 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.695 7.671 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.570 7.383 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.669 5.388 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.406 5.131 -3.333 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.616 4.863 -3.760 1.00 0.00 N ATOM 1380 CA ASN A 88 -6.105 3.620 -4.401 1.00 0.00 C ATOM 1381 C ASN A 88 -5.610 2.662 -3.316 1.00 0.00 C ATOM 1382 O ASN A 88 -5.973 1.504 -3.286 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.955 3.967 -5.352 1.00 0.00 C ATOM 1384 CG ASN A 88 -3.630 3.960 -4.586 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -2.997 4.985 -4.435 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -3.183 2.838 -4.093 1.00 0.00 N ATOM 0 H ASN A 88 -6.021 5.685 -3.867 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.905 3.144 -4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.917 3.247 -6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.123 4.947 -5.798 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.301 2.822 -3.580 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.715 1.977 -4.220 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.790 3.139 -2.417 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.283 2.252 -1.333 1.00 0.00 C ATOM 1395 C ILE A 89 -5.462 1.490 -0.724 1.00 0.00 C ATOM 1396 O ILE A 89 -5.314 0.393 -0.225 1.00 0.00 O ATOM 1397 CB ILE A 89 -3.599 3.100 -0.255 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.120 3.287 -0.618 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -3.707 2.400 1.104 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.292 2.144 -0.027 1.00 0.00 C ATOM 0 H ILE A 89 -4.451 4.101 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.560 1.544 -1.739 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.088 4.072 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.002 3.311 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.761 4.243 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.219 3.008 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.758 2.268 1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.221 1.426 1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.243 2.282 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.399 2.141 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.644 1.194 -0.429 1.00 0.00 H new ATOM 1412 N LYS A 90 -6.637 2.060 -0.769 1.00 0.00 N ATOM 1413 CA LYS A 90 -7.826 1.364 -0.200 1.00 0.00 C ATOM 1414 C LYS A 90 -8.215 0.207 -1.121 1.00 0.00 C ATOM 1415 O LYS A 90 -8.262 -0.936 -0.711 1.00 0.00 O ATOM 1416 CB LYS A 90 -8.995 2.345 -0.092 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.168 1.662 0.614 1.00 0.00 C ATOM 1418 CD LYS A 90 -11.316 2.662 0.778 1.00 0.00 C ATOM 1419 CE LYS A 90 -11.017 3.599 1.950 1.00 0.00 C ATOM 1420 NZ LYS A 90 -11.076 5.012 1.483 1.00 0.00 N ATOM 0 H LYS A 90 -6.824 2.977 -1.175 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.586 0.982 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.689 3.232 0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.298 2.678 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.502 0.800 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.853 1.290 1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.443 3.238 -0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.252 2.131 0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.739 3.439 2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.031 3.381 2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.873 5.650 2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.371 5.159 0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.025 5.215 1.110 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.485 0.491 -2.366 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.861 -0.595 -3.312 1.00 0.00 C ATOM 1436 C GLU A 91 -7.654 -1.514 -3.514 1.00 0.00 C ATOM 1437 O GLU A 91 -7.779 -2.723 -3.547 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.276 0.015 -4.653 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.047 1.315 -4.407 1.00 0.00 C ATOM 1440 CD GLU A 91 -11.058 1.534 -5.534 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -10.671 1.404 -6.683 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -12.202 1.828 -5.229 1.00 0.00 O ATOM 0 H GLU A 91 -8.461 1.428 -2.768 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.696 -1.167 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.394 0.213 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.896 -0.689 -5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.562 1.268 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.355 2.156 -4.357 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.484 -0.948 -3.635 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.262 -1.782 -3.820 1.00 0.00 C ATOM 1451 C ILE A 92 -5.158 -2.775 -2.661 1.00 0.00 C ATOM 1452 O ILE A 92 -4.547 -3.819 -2.774 1.00 0.00 O ATOM 1453 CB ILE A 92 -4.031 -0.871 -3.836 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.774 -0.368 -5.267 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.809 -1.637 -3.328 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -3.366 -1.528 -6.189 1.00 0.00 C ATOM 0 H ILE A 92 -6.321 0.059 -3.614 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.318 -2.328 -4.762 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.211 -0.017 -3.183 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.672 0.112 -5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.988 0.387 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.937 -0.983 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.991 -1.977 -2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.626 -2.498 -3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.190 -1.148 -7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.454 -1.990 -5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.164 -2.270 -6.216 1.00 0.00 H new ATOM 1468 N PHE A 93 -5.762 -2.459 -1.549 1.00 0.00 N ATOM 1469 CA PHE A 93 -5.714 -3.384 -0.383 1.00 0.00 C ATOM 1470 C PHE A 93 -6.567 -4.611 -0.692 1.00 0.00 C ATOM 1471 O PHE A 93 -6.079 -5.722 -0.763 1.00 0.00 O ATOM 1472 CB PHE A 93 -6.289 -2.677 0.846 1.00 0.00 C ATOM 1473 CG PHE A 93 -5.754 -3.299 2.120 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -5.260 -4.616 2.126 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.753 -2.552 3.303 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.771 -5.173 3.311 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.262 -3.112 4.487 1.00 0.00 C ATOM 1478 CZ PHE A 93 -4.772 -4.422 4.490 1.00 0.00 C ATOM 0 H PHE A 93 -6.288 -1.598 -1.398 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.684 -3.682 -0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.032 -1.618 0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -7.377 -2.741 0.833 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.259 -5.197 1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -6.132 -1.541 3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -4.392 -6.184 3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.261 -2.533 5.399 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.394 -4.854 5.405 1.00 0.00 H new ATOM 1488 N HIS A 94 -7.841 -4.416 -0.876 1.00 0.00 N ATOM 1489 CA HIS A 94 -8.731 -5.566 -1.180 1.00 0.00 C ATOM 1490 C HIS A 94 -8.317 -6.172 -2.515 1.00 0.00 C ATOM 1491 O HIS A 94 -8.921 -7.108 -3.000 1.00 0.00 O ATOM 1492 CB HIS A 94 -10.178 -5.083 -1.266 1.00 0.00 C ATOM 1493 CG HIS A 94 -11.100 -6.172 -0.789 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -12.359 -5.900 -0.271 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.963 -7.539 -0.744 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -12.924 -7.076 0.060 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -12.116 -8.102 -0.209 1.00 0.00 N ATOM 0 H HIS A 94 -8.304 -3.508 -0.829 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.649 -6.315 -0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -10.310 -4.188 -0.658 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.421 -4.810 -2.293 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.094 -8.090 -1.073 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.910 -7.176 0.490 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.304 -9.092 -0.055 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.280 -5.651 -3.111 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.823 -6.208 -4.412 1.00 0.00 C ATOM 1508 C HIS A 95 -5.819 -7.321 -4.132 1.00 0.00 C ATOM 1509 O HIS A 95 -5.719 -8.284 -4.865 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.172 -5.105 -5.249 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.243 -4.237 -5.858 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -6.944 -3.092 -6.583 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -8.614 -4.330 -5.855 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -8.108 -2.549 -6.983 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -9.153 -3.265 -6.565 1.00 0.00 N ATOM 0 H HIS A 95 -6.733 -4.868 -2.754 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.670 -6.607 -4.970 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.512 -4.502 -4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.556 -5.545 -6.033 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -9.185 -5.111 -5.374 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -8.187 -1.646 -7.570 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -10.140 -3.071 -6.732 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.092 -7.206 -3.057 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.116 -8.268 -2.706 1.00 0.00 C ATOM 1526 C LEU A 96 -4.876 -9.398 -2.009 1.00 0.00 C ATOM 1527 O LEU A 96 -4.830 -10.538 -2.425 1.00 0.00 O ATOM 1528 CB LEU A 96 -3.060 -7.701 -1.757 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.665 -8.200 -2.157 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.715 -8.020 -0.975 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.721 -9.685 -2.535 1.00 0.00 C ATOM 0 H LEU A 96 -5.133 -6.421 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.621 -8.639 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.085 -6.612 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.282 -8.002 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.313 -7.628 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.279 -8.372 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.665 -6.965 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.080 -8.594 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.725 -10.027 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.076 -10.264 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.402 -9.821 -3.375 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.582 -9.088 -0.954 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.350 -10.143 -0.240 1.00 0.00 C ATOM 1545 C GLU A 97 -7.201 -10.912 -1.252 1.00 0.00 C ATOM 1546 O GLU A 97 -7.801 -11.921 -0.936 1.00 0.00 O ATOM 1547 CB GLU A 97 -7.259 -9.495 0.805 1.00 0.00 C ATOM 1548 CG GLU A 97 -6.413 -8.657 1.767 1.00 0.00 C ATOM 1549 CD GLU A 97 -7.289 -7.581 2.411 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -7.652 -6.646 1.716 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -7.583 -7.711 3.588 1.00 0.00 O ATOM 0 H GLU A 97 -5.658 -8.151 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.662 -10.827 0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.003 -8.866 0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.803 -10.262 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.978 -9.295 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.585 -8.194 1.231 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.252 -10.444 -2.470 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.054 -11.147 -3.507 1.00 0.00 C ATOM 1560 C GLU A 98 -7.170 -12.194 -4.181 1.00 0.00 C ATOM 1561 O GLU A 98 -7.560 -13.330 -4.362 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.540 -10.139 -4.552 1.00 0.00 C ATOM 1563 CG GLU A 98 -10.032 -9.870 -4.348 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.484 -8.753 -5.292 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -10.098 -7.619 -5.063 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.210 -9.052 -6.227 1.00 0.00 O ATOM 0 H GLU A 98 -6.771 -9.603 -2.790 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.917 -11.627 -3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.977 -9.210 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.364 -10.526 -5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.605 -10.777 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.223 -9.585 -3.313 1.00 0.00 H new ATOM 1573 N LEU A 99 -5.974 -11.820 -4.542 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.059 -12.794 -5.191 1.00 0.00 C ATOM 1575 C LEU A 99 -4.790 -13.945 -4.222 1.00 0.00 C ATOM 1576 O LEU A 99 -4.162 -14.927 -4.563 1.00 0.00 O ATOM 1577 CB LEU A 99 -3.744 -12.098 -5.545 1.00 0.00 C ATOM 1578 CG LEU A 99 -3.975 -11.150 -6.722 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.122 -9.893 -6.546 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.586 -11.854 -8.023 1.00 0.00 C ATOM 0 H LEU A 99 -5.593 -10.882 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.515 -13.182 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.370 -11.543 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.986 -12.837 -5.802 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.027 -10.868 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.289 -9.219 -7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.400 -9.392 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.069 -10.171 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.750 -11.180 -8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.534 -12.136 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.197 -12.748 -8.150 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.268 -13.828 -3.013 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.050 -14.912 -2.014 1.00 0.00 C ATOM 1594 C VAL A 100 -6.401 -15.530 -1.642 1.00 0.00 C ATOM 1595 O VAL A 100 -6.500 -16.709 -1.363 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.371 -14.329 -0.769 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.724 -12.990 -1.118 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.406 -14.112 0.334 1.00 0.00 C ATOM 0 H VAL A 100 -5.801 -13.027 -2.674 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.407 -15.685 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.610 -15.027 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.242 -12.577 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.980 -13.139 -1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.488 -12.298 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.917 -13.698 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.171 -13.419 -0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.870 -15.065 0.590 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.440 -14.742 -1.636 1.00 0.00 N ATOM 1609 CA HIS A 101 -8.783 -15.280 -1.282 1.00 0.00 C ATOM 1610 C HIS A 101 -9.033 -16.575 -2.058 1.00 0.00 C ATOM 1611 O HIS A 101 -9.917 -17.343 -1.735 1.00 0.00 O ATOM 1612 CB HIS A 101 -9.855 -14.251 -1.648 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.210 -14.905 -1.630 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -12.156 -14.674 -2.619 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -11.797 -15.780 -0.747 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -13.249 -15.395 -2.311 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -13.081 -16.084 -1.182 1.00 0.00 N ATOM 0 H HIS A 101 -7.417 -13.747 -1.861 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.824 -15.484 -0.212 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.832 -13.420 -0.943 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.653 -13.836 -2.636 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.332 -16.170 0.146 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.151 -15.413 -2.905 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -13.754 -16.704 -0.732 1.00 0.00 H new ATOM 1626 N ARG A 102 -8.261 -16.822 -3.080 1.00 0.00 N ATOM 1627 CA ARG A 102 -8.455 -18.067 -3.875 1.00 0.00 C ATOM 1628 C ARG A 102 -7.723 -19.225 -3.194 1.00 0.00 C ATOM 1629 O ARG A 102 -7.855 -19.356 -1.987 1.00 0.00 O ATOM 1630 CB ARG A 102 -7.890 -17.861 -5.282 1.00 0.00 C ATOM 1631 CG ARG A 102 -8.464 -16.574 -5.880 1.00 0.00 C ATOM 1632 CD ARG A 102 -9.731 -16.897 -6.674 1.00 0.00 C ATOM 1633 NE ARG A 102 -10.129 -15.707 -7.479 1.00 0.00 N ATOM 1634 CZ ARG A 102 -10.712 -14.692 -6.900 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -10.948 -14.720 -5.617 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -11.056 -13.648 -7.603 1.00 0.00 N ATOM 1637 OXT ARG A 102 -7.044 -19.963 -3.888 1.00 0.00 O ATOM 0 H ARG A 102 -7.505 -16.216 -3.399 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.518 -18.299 -3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.802 -17.803 -5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.142 -18.712 -5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.692 -15.862 -5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.726 -16.102 -6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -9.555 -17.750 -7.329 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.537 -17.177 -5.996 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.946 -15.686 -8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.677 -15.535 -5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.403 -13.927 -5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.870 -13.624 -8.606 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.511 -12.856 -7.150 1.00 0.00 H new TER 1651 ARG A 102