USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1137 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 113 SER OG : rot -85:sc= 0.00168 USER MOD Set 1.2: A 117 GLN : amide:sc= -3.62! K(o=-3.6!,f=-1.7) USER MOD Set 2.1: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 78 LYS NZ :NH3+ 172:sc= 0 (180deg=0) USER MOD Set 3.2: A 93 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Set 4.1: A 3 ASN : amide:sc= -2.51 K(o=-5.8,f=-2.3) USER MOD Set 4.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 63 ASN : amide:sc= -3.28 K(o=-5.8,f=-2.3) USER MOD Set 5.1: A 21 MET CE :methyl -158:sc= -7.1! (180deg=-9.13!) USER MOD Set 5.2: A 28 CYS SG : rot 110:sc= -1.17 USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0388) USER MOD Single : A 6 HIS : no HD1:sc= -0.79 X(o=-0.79,f=-0.62) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -3! K(o=-3!,f=-0.89) USER MOD Single : A 15 HIS : no HE2:sc= -5.63! C(o=-5.6!,f=-5!) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= -0.592 (180deg=-0.784) USER MOD Single : A 18 CYS SG : rot -25:sc= -3.56! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -66:sc= -7.92! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -4.74! K(o=-4.7!,f=-3.1) USER MOD Single : A 33 HIS : no HD1:sc= 0.376 K(o=0.38,f=-1.8) USER MOD Single : A 40 LYS NZ :NH3+ 161:sc= -0.0162 (180deg=-0.19) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -7.79! C(o=-7.8!,f=-7.9!) USER MOD Single : A 55 SER OG : rot 161:sc= 1.25 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -144:sc= -6.15! (180deg=-9.65!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.22 K(o=-2.2,f=-0.72) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.765 K(o=-0.76,f=-0.26) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.3) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 146:sc= 0.0454 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -6.95! C(o=-7!,f=-16!) USER MOD Single : A 104 LYS NZ :NH3+ -163:sc= -2.27 (180deg=-2.76!) USER MOD Single : A 106 SER OG : rot -106:sc= -0.0674 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -5.65! C(o=-5.6!,f=-5.9!) USER MOD Single : A 122 MET CE :methyl 149:sc= -6.4! (180deg=-10.8!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -9.01! C(o=-9!,f=-6.4!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 GLN : amide:sc= -0.828 K(o=-0.83,f=-0.091) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -18.001 -0.079 -5.765 1.00 0.00 N ATOM 21 CA GLU A 2 -17.597 -1.055 -6.770 1.00 0.00 C ATOM 22 C GLU A 2 -16.094 -1.316 -6.708 1.00 0.00 C ATOM 23 O GLU A 2 -15.638 -2.434 -6.948 1.00 0.00 O ATOM 24 CB GLU A 2 -17.986 -0.567 -8.168 1.00 0.00 C ATOM 25 CG GLU A 2 -19.215 -1.259 -8.733 1.00 0.00 C ATOM 26 CD GLU A 2 -18.879 -2.556 -9.443 1.00 0.00 C ATOM 27 OE1 GLU A 2 -17.867 -3.188 -9.074 1.00 0.00 O ATOM 28 OE2 GLU A 2 -19.627 -2.938 -10.366 1.00 0.00 O ATOM 0 HA GLU A 2 -18.116 -1.990 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.169 0.507 -8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.147 -0.725 -8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.917 -1.463 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -19.718 -0.588 -9.429 1.00 0.00 H new ATOM 35 N ASN A 3 -15.329 -0.278 -6.386 1.00 0.00 N ATOM 36 CA ASN A 3 -13.880 -0.394 -6.295 1.00 0.00 C ATOM 37 C ASN A 3 -13.458 -0.966 -4.947 1.00 0.00 C ATOM 38 O ASN A 3 -12.367 -1.519 -4.813 1.00 0.00 O ATOM 39 CB ASN A 3 -13.237 0.977 -6.482 1.00 0.00 C ATOM 40 CG ASN A 3 -13.795 1.734 -7.666 1.00 0.00 C ATOM 41 OD1 ASN A 3 -14.403 1.150 -8.565 1.00 0.00 O ATOM 42 ND2 ASN A 3 -13.589 3.045 -7.672 1.00 0.00 N ATOM 0 H ASN A 3 -15.690 0.654 -6.184 1.00 0.00 H new ATOM 0 HA ASN A 3 -13.547 -1.072 -7.081 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.384 1.568 -5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.162 0.854 -6.611 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -13.940 3.613 -8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.080 3.485 -6.905 1.00 0.00 H new ATOM 49 N LEU A 4 -14.323 -0.823 -3.949 1.00 0.00 N ATOM 50 CA LEU A 4 -14.033 -1.315 -2.610 1.00 0.00 C ATOM 51 C LEU A 4 -13.676 -2.793 -2.641 1.00 0.00 C ATOM 52 O LEU A 4 -12.654 -3.208 -2.100 1.00 0.00 O ATOM 53 CB LEU A 4 -15.233 -1.081 -1.689 1.00 0.00 C ATOM 54 CG LEU A 4 -15.045 0.026 -0.651 1.00 0.00 C ATOM 55 CD1 LEU A 4 -16.390 0.597 -0.226 1.00 0.00 C ATOM 56 CD2 LEU A 4 -14.282 -0.502 0.554 1.00 0.00 C ATOM 0 H LEU A 4 -15.232 -0.369 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.176 -0.764 -2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.101 -0.839 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.459 -2.012 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.463 0.828 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.234 1.383 0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.900 1.012 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.000 -0.194 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.156 0.298 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.839 -1.322 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.303 -0.861 0.236 1.00 0.00 H new ATOM 68 N LYS A 5 -14.522 -3.583 -3.284 1.00 0.00 N ATOM 69 CA LYS A 5 -14.288 -5.018 -3.384 1.00 0.00 C ATOM 70 C LYS A 5 -12.983 -5.308 -4.114 1.00 0.00 C ATOM 71 O LYS A 5 -12.363 -6.350 -3.905 1.00 0.00 O ATOM 72 CB LYS A 5 -15.457 -5.704 -4.094 1.00 0.00 C ATOM 73 CG LYS A 5 -16.703 -5.827 -3.230 1.00 0.00 C ATOM 74 CD LYS A 5 -17.816 -4.912 -3.717 1.00 0.00 C ATOM 75 CE LYS A 5 -19.018 -4.956 -2.789 1.00 0.00 C ATOM 76 NZ LYS A 5 -19.686 -6.288 -2.806 1.00 0.00 N ATOM 0 H LYS A 5 -15.373 -3.258 -3.743 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.210 -5.418 -2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.704 -5.144 -4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.145 -6.699 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.051 -6.860 -3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.456 -5.582 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.445 -3.890 -3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.119 -5.208 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.701 -4.722 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.733 -4.188 -3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.549 -6.251 -2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.936 -6.538 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.040 -7.005 -2.420 1.00 0.00 H new ATOM 90 N HIS A 6 -12.556 -4.368 -4.948 1.00 0.00 N ATOM 91 CA HIS A 6 -11.307 -4.515 -5.682 1.00 0.00 C ATOM 92 C HIS A 6 -10.156 -4.046 -4.804 1.00 0.00 C ATOM 93 O HIS A 6 -9.053 -4.591 -4.848 1.00 0.00 O ATOM 94 CB HIS A 6 -11.345 -3.710 -6.982 1.00 0.00 C ATOM 95 CG HIS A 6 -10.657 -4.391 -8.124 1.00 0.00 C ATOM 96 ND1 HIS A 6 -10.652 -5.760 -8.292 1.00 0.00 N ATOM 97 CD2 HIS A 6 -9.949 -3.884 -9.162 1.00 0.00 C ATOM 98 CE1 HIS A 6 -9.969 -6.066 -9.381 1.00 0.00 C ATOM 99 NE2 HIS A 6 -9.533 -4.946 -9.928 1.00 0.00 N ATOM 0 H HIS A 6 -13.055 -3.498 -5.132 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.165 -5.564 -5.941 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.384 -3.522 -7.254 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.879 -2.739 -6.813 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.749 -2.840 -9.352 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.797 -7.063 -9.759 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.977 -4.880 -10.781 1.00 0.00 H new ATOM 108 N ILE A 7 -10.445 -3.037 -3.991 1.00 0.00 N ATOM 109 CA ILE A 7 -9.473 -2.478 -3.069 1.00 0.00 C ATOM 110 C ILE A 7 -9.208 -3.456 -1.929 1.00 0.00 C ATOM 111 O ILE A 7 -8.060 -3.757 -1.607 1.00 0.00 O ATOM 112 CB ILE A 7 -9.994 -1.136 -2.505 1.00 0.00 C ATOM 113 CG1 ILE A 7 -9.699 -0.005 -3.493 1.00 0.00 C ATOM 114 CG2 ILE A 7 -9.395 -0.816 -1.139 1.00 0.00 C ATOM 115 CD1 ILE A 7 -10.936 0.666 -4.050 1.00 0.00 C ATOM 0 H ILE A 7 -11.359 -2.586 -3.955 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.540 -2.301 -3.604 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.072 -1.230 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.084 0.745 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.111 -0.403 -4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.790 0.135 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.656 -1.605 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -8.310 -0.750 -1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.642 1.455 -4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.543 -0.070 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.515 1.097 -3.233 1.00 0.00 H new ATOM 127 N ILE A 8 -10.286 -3.947 -1.326 1.00 0.00 N ATOM 128 CA ILE A 8 -10.186 -4.891 -0.226 1.00 0.00 C ATOM 129 C ILE A 8 -9.501 -6.167 -0.680 1.00 0.00 C ATOM 130 O ILE A 8 -8.542 -6.630 -0.062 1.00 0.00 O ATOM 131 CB ILE A 8 -11.576 -5.253 0.317 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.342 -3.990 0.708 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.464 -6.206 1.500 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.825 -4.220 0.888 1.00 0.00 C ATOM 0 H ILE A 8 -11.242 -3.703 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.601 -4.413 0.560 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.131 -5.761 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.928 -3.595 1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.190 -3.230 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.461 -6.448 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.962 -7.120 1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.889 -5.732 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.308 -3.283 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.252 -4.586 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.986 -4.957 1.675 1.00 0.00 H new ATOM 146 N THR A 9 -10.005 -6.730 -1.770 1.00 0.00 N ATOM 147 CA THR A 9 -9.443 -7.957 -2.318 1.00 0.00 C ATOM 148 C THR A 9 -7.974 -7.746 -2.657 1.00 0.00 C ATOM 149 O THR A 9 -7.118 -8.543 -2.278 1.00 0.00 O ATOM 150 CB THR A 9 -10.225 -8.406 -3.557 1.00 0.00 C ATOM 151 OG1 THR A 9 -10.040 -9.790 -3.790 1.00 0.00 O ATOM 152 CG2 THR A 9 -9.830 -7.671 -4.820 1.00 0.00 C ATOM 0 H THR A 9 -10.799 -6.358 -2.291 1.00 0.00 H new ATOM 0 HA THR A 9 -9.522 -8.744 -1.568 1.00 0.00 H new ATOM 0 HB THR A 9 -11.267 -8.176 -3.337 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.548 -10.059 -4.584 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.424 -8.040 -5.656 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.009 -6.604 -4.691 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.772 -7.840 -5.023 1.00 0.00 H new ATOM 160 N LEU A 10 -7.689 -6.652 -3.357 1.00 0.00 N ATOM 161 CA LEU A 10 -6.323 -6.331 -3.720 1.00 0.00 C ATOM 162 C LEU A 10 -5.525 -6.028 -2.468 1.00 0.00 C ATOM 163 O LEU A 10 -4.329 -6.312 -2.398 1.00 0.00 O ATOM 164 CB LEU A 10 -6.263 -5.148 -4.685 1.00 0.00 C ATOM 165 CG LEU A 10 -4.876 -4.867 -5.273 1.00 0.00 C ATOM 166 CD1 LEU A 10 -4.108 -6.165 -5.498 1.00 0.00 C ATOM 167 CD2 LEU A 10 -4.997 -4.086 -6.574 1.00 0.00 C ATOM 0 H LEU A 10 -8.385 -5.980 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.892 -7.193 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.959 -5.330 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.609 -4.255 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.319 -4.263 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.127 -5.939 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.987 -6.685 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.661 -6.799 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.003 -3.895 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.576 -4.665 -7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.499 -3.138 -6.384 1.00 0.00 H new ATOM 179 N GLY A 11 -6.201 -5.482 -1.460 1.00 0.00 N ATOM 180 CA GLY A 11 -5.528 -5.199 -0.216 1.00 0.00 C ATOM 181 C GLY A 11 -5.028 -6.481 0.406 1.00 0.00 C ATOM 182 O GLY A 11 -4.012 -6.494 1.099 1.00 0.00 O ATOM 0 H GLY A 11 -7.190 -5.235 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.693 -4.521 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.210 -4.695 0.469 1.00 0.00 H new ATOM 186 N GLN A 12 -5.746 -7.572 0.128 1.00 0.00 N ATOM 187 CA GLN A 12 -5.377 -8.886 0.634 1.00 0.00 C ATOM 188 C GLN A 12 -4.230 -9.463 -0.180 1.00 0.00 C ATOM 189 O GLN A 12 -3.316 -10.080 0.367 1.00 0.00 O ATOM 190 CB GLN A 12 -6.574 -9.837 0.579 1.00 0.00 C ATOM 191 CG GLN A 12 -7.682 -9.478 1.550 1.00 0.00 C ATOM 192 CD GLN A 12 -7.195 -9.390 2.981 1.00 0.00 C ATOM 193 OE1 GLN A 12 -6.358 -10.181 3.416 1.00 0.00 O ATOM 194 NE2 GLN A 12 -7.720 -8.424 3.720 1.00 0.00 N ATOM 0 H GLN A 12 -6.588 -7.566 -0.447 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.059 -8.775 1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.977 -9.841 -0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.232 -10.850 0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.120 -8.523 1.259 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.474 -10.224 1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.411 -7.792 3.316 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.433 -8.313 4.692 1.00 0.00 H new ATOM 203 N VAL A 13 -4.274 -9.247 -1.490 1.00 0.00 N ATOM 204 CA VAL A 13 -3.225 -9.735 -2.368 1.00 0.00 C ATOM 205 C VAL A 13 -1.942 -8.986 -2.081 1.00 0.00 C ATOM 206 O VAL A 13 -0.941 -9.572 -1.677 1.00 0.00 O ATOM 207 CB VAL A 13 -3.608 -9.563 -3.843 1.00 0.00 C ATOM 208 CG1 VAL A 13 -2.402 -9.770 -4.745 1.00 0.00 C ATOM 209 CG2 VAL A 13 -4.726 -10.522 -4.198 1.00 0.00 C ATOM 0 H VAL A 13 -5.022 -8.740 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.085 -10.799 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.961 -8.544 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.700 -9.643 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.632 -9.040 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.008 -10.776 -4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.994 -10.396 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.394 -11.546 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.595 -10.315 -3.574 1.00 0.00 H new ATOM 219 N ILE A 14 -1.993 -7.673 -2.255 1.00 0.00 N ATOM 220 CA ILE A 14 -0.850 -6.823 -1.973 1.00 0.00 C ATOM 221 C ILE A 14 -0.238 -7.226 -0.631 1.00 0.00 C ATOM 222 O ILE A 14 0.969 -7.110 -0.418 1.00 0.00 O ATOM 223 CB ILE A 14 -1.281 -5.336 -1.936 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.768 -4.593 -3.168 1.00 0.00 C ATOM 225 CG2 ILE A 14 -0.808 -4.650 -0.662 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.661 -3.447 -3.572 1.00 0.00 C ATOM 0 H ILE A 14 -2.817 -7.174 -2.591 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.108 -6.947 -2.762 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.371 -5.309 -1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.234 -4.214 -2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.683 -5.293 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.128 -3.608 -0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.237 -5.155 0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.280 -4.695 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.247 -2.956 -4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.657 -3.825 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.725 -2.730 -2.754 1.00 0.00 H new ATOM 238 N HIS A 15 -1.100 -7.712 0.263 1.00 0.00 N ATOM 239 CA HIS A 15 -0.681 -8.152 1.580 1.00 0.00 C ATOM 240 C HIS A 15 -0.157 -9.587 1.530 1.00 0.00 C ATOM 241 O HIS A 15 0.813 -9.923 2.209 1.00 0.00 O ATOM 242 CB HIS A 15 -1.856 -8.025 2.556 1.00 0.00 C ATOM 243 CG HIS A 15 -1.985 -9.152 3.529 1.00 0.00 C ATOM 244 ND1 HIS A 15 -2.953 -10.123 3.414 1.00 0.00 N ATOM 245 CD2 HIS A 15 -1.270 -9.463 4.636 1.00 0.00 C ATOM 246 CE1 HIS A 15 -2.831 -10.981 4.405 1.00 0.00 C ATOM 247 NE2 HIS A 15 -1.817 -10.606 5.162 1.00 0.00 N ATOM 0 H HIS A 15 -2.100 -7.808 0.089 1.00 0.00 H new ATOM 0 HA HIS A 15 0.135 -7.519 1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.750 -7.094 3.112 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.780 -7.950 1.983 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -3.656 -10.171 2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.428 -8.914 5.031 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.456 -11.846 4.571 1.00 0.00 H new ATOM 256 N LYS A 16 -0.801 -10.435 0.725 1.00 0.00 N ATOM 257 CA LYS A 16 -0.376 -11.826 0.610 1.00 0.00 C ATOM 258 C LYS A 16 0.915 -11.936 -0.200 1.00 0.00 C ATOM 259 O LYS A 16 1.824 -12.681 0.167 1.00 0.00 O ATOM 260 CB LYS A 16 -1.487 -12.684 -0.010 1.00 0.00 C ATOM 261 CG LYS A 16 -1.532 -12.662 -1.531 1.00 0.00 C ATOM 262 CD LYS A 16 -2.858 -13.190 -2.048 1.00 0.00 C ATOM 263 CE LYS A 16 -2.773 -14.665 -2.407 1.00 0.00 C ATOM 264 NZ LYS A 16 -2.051 -15.450 -1.369 1.00 0.00 N ATOM 0 H LYS A 16 -1.607 -10.185 0.152 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.176 -12.204 1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.360 -13.715 0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.448 -12.342 0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.379 -11.643 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.717 -13.265 -1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.628 -13.043 -1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.160 -12.618 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.779 -15.067 -2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.265 -14.776 -3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.118 -16.464 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.051 -15.164 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.479 -15.271 -0.438 1.00 0.00 H new ATOM 278 N ARG A 17 0.995 -11.185 -1.295 1.00 0.00 N ATOM 279 CA ARG A 17 2.183 -11.198 -2.141 1.00 0.00 C ATOM 280 C ARG A 17 3.376 -10.602 -1.403 1.00 0.00 C ATOM 281 O ARG A 17 4.493 -11.111 -1.495 1.00 0.00 O ATOM 282 CB ARG A 17 1.929 -10.420 -3.433 1.00 0.00 C ATOM 283 CG ARG A 17 0.703 -10.892 -4.196 1.00 0.00 C ATOM 284 CD ARG A 17 1.037 -11.221 -5.644 1.00 0.00 C ATOM 285 NE ARG A 17 1.400 -12.626 -5.815 1.00 0.00 N ATOM 286 CZ ARG A 17 1.374 -13.260 -6.985 1.00 0.00 C ATOM 287 NH1 ARG A 17 1.008 -12.620 -8.088 1.00 0.00 N ATOM 288 NH2 ARG A 17 1.719 -14.538 -7.053 1.00 0.00 N ATOM 0 H ARG A 17 0.254 -10.562 -1.616 1.00 0.00 H new ATOM 0 HA ARG A 17 2.409 -12.235 -2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.813 -9.363 -3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.804 -10.507 -4.078 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.287 -11.774 -3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.065 -10.119 -4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.180 -10.988 -6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.860 -10.590 -5.979 1.00 0.00 H new ATOM 0 HE ARG A 17 1.690 -13.151 -4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.744 -11.636 -8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.990 -13.112 -8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.004 -15.035 -6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.699 -15.025 -7.949 1.00 0.00 H new ATOM 302 N CYS A 18 3.133 -9.522 -0.667 1.00 0.00 N ATOM 303 CA CYS A 18 4.191 -8.867 0.091 1.00 0.00 C ATOM 304 C CYS A 18 4.575 -9.709 1.301 1.00 0.00 C ATOM 305 O CYS A 18 5.734 -9.735 1.713 1.00 0.00 O ATOM 306 CB CYS A 18 3.753 -7.464 0.525 1.00 0.00 C ATOM 307 SG CYS A 18 2.692 -7.422 1.990 1.00 0.00 S ATOM 0 H CYS A 18 2.216 -9.084 -0.580 1.00 0.00 H new ATOM 0 HA CYS A 18 5.066 -8.767 -0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.642 -6.865 0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.225 -6.991 -0.303 1.00 0.00 H new ATOM 0 HG CYS A 18 2.068 -8.556 2.106 1.00 0.00 H new ATOM 313 N GLU A 19 3.592 -10.404 1.863 1.00 0.00 N ATOM 314 CA GLU A 19 3.831 -11.259 3.017 1.00 0.00 C ATOM 315 C GLU A 19 4.700 -12.445 2.618 1.00 0.00 C ATOM 316 O GLU A 19 5.442 -12.989 3.436 1.00 0.00 O ATOM 317 CB GLU A 19 2.507 -11.754 3.601 1.00 0.00 C ATOM 318 CG GLU A 19 1.933 -10.837 4.670 1.00 0.00 C ATOM 319 CD GLU A 19 2.108 -11.392 6.069 1.00 0.00 C ATOM 320 OE1 GLU A 19 3.177 -11.974 6.347 1.00 0.00 O ATOM 321 OE2 GLU A 19 1.175 -11.244 6.887 1.00 0.00 O ATOM 0 H GLU A 19 2.625 -10.391 1.538 1.00 0.00 H new ATOM 0 HA GLU A 19 4.351 -10.677 3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.780 -11.858 2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.656 -12.746 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.418 -9.863 4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.872 -10.678 4.476 1.00 0.00 H new ATOM 328 N GLU A 20 4.602 -12.839 1.351 1.00 0.00 N ATOM 329 CA GLU A 20 5.381 -13.961 0.838 1.00 0.00 C ATOM 330 C GLU A 20 6.622 -13.482 0.079 1.00 0.00 C ATOM 331 O GLU A 20 7.381 -14.293 -0.451 1.00 0.00 O ATOM 332 CB GLU A 20 4.518 -14.839 -0.072 1.00 0.00 C ATOM 333 CG GLU A 20 4.009 -14.124 -1.313 1.00 0.00 C ATOM 334 CD GLU A 20 5.055 -14.037 -2.407 1.00 0.00 C ATOM 335 OE1 GLU A 20 5.738 -15.053 -2.657 1.00 0.00 O ATOM 336 OE2 GLU A 20 5.190 -12.955 -3.015 1.00 0.00 O ATOM 0 H GLU A 20 3.992 -12.399 0.662 1.00 0.00 H new ATOM 0 HA GLU A 20 5.714 -14.550 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.099 -15.709 -0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.666 -15.209 0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.132 -14.647 -1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.688 -13.118 -1.042 1.00 0.00 H new ATOM 343 N MET A 21 6.825 -12.165 0.029 1.00 0.00 N ATOM 344 CA MET A 21 7.975 -11.592 -0.667 1.00 0.00 C ATOM 345 C MET A 21 9.277 -12.255 -0.230 1.00 0.00 C ATOM 346 O MET A 21 9.578 -12.333 0.961 1.00 0.00 O ATOM 347 CB MET A 21 8.054 -10.084 -0.411 1.00 0.00 C ATOM 348 CG MET A 21 7.534 -9.245 -1.566 1.00 0.00 C ATOM 349 SD MET A 21 8.447 -9.536 -3.093 1.00 0.00 S ATOM 350 CE MET A 21 8.690 -7.862 -3.685 1.00 0.00 C ATOM 0 H MET A 21 6.209 -11.477 0.462 1.00 0.00 H new ATOM 0 HA MET A 21 7.839 -11.773 -1.733 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.483 -9.846 0.487 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.090 -9.811 -0.212 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.480 -9.469 -1.728 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.599 -8.189 -1.303 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.874 -7.879 -4.759 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.798 -7.270 -3.479 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.546 -7.417 -3.178 1.00 0.00 H new ATOM 360 N LYS A 22 10.052 -12.714 -1.205 1.00 0.00 N ATOM 361 CA LYS A 22 11.330 -13.354 -0.926 1.00 0.00 C ATOM 362 C LYS A 22 12.433 -12.306 -0.793 1.00 0.00 C ATOM 363 O LYS A 22 13.509 -12.586 -0.265 1.00 0.00 O ATOM 364 CB LYS A 22 11.682 -14.352 -2.033 1.00 0.00 C ATOM 365 CG LYS A 22 12.084 -15.722 -1.511 1.00 0.00 C ATOM 366 CD LYS A 22 13.523 -15.732 -1.020 1.00 0.00 C ATOM 367 CE LYS A 22 13.660 -16.484 0.294 1.00 0.00 C ATOM 368 NZ LYS A 22 15.045 -16.983 0.509 1.00 0.00 N ATOM 0 H LYS A 22 9.817 -12.655 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 22 11.245 -13.894 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.825 -14.463 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.498 -13.946 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.419 -16.012 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.963 -16.463 -2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.162 -16.194 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.872 -14.707 -0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.379 -15.828 1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.966 -17.325 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.095 -17.490 1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.305 -17.629 -0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.705 -16.179 0.525 1.00 0.00 H new ATOM 382 N TYR A 23 12.152 -11.096 -1.272 1.00 0.00 N ATOM 383 CA TYR A 23 13.115 -10.002 -1.205 1.00 0.00 C ATOM 384 C TYR A 23 12.455 -8.735 -0.675 1.00 0.00 C ATOM 385 O TYR A 23 11.246 -8.551 -0.821 1.00 0.00 O ATOM 386 CB TYR A 23 13.723 -9.743 -2.581 1.00 0.00 C ATOM 387 CG TYR A 23 14.993 -10.521 -2.832 1.00 0.00 C ATOM 388 CD1 TYR A 23 14.962 -11.901 -2.986 1.00 0.00 C ATOM 389 CD2 TYR A 23 16.221 -9.879 -2.904 1.00 0.00 C ATOM 390 CE1 TYR A 23 16.122 -12.620 -3.207 1.00 0.00 C ATOM 391 CE2 TYR A 23 17.385 -10.589 -3.127 1.00 0.00 C ATOM 392 CZ TYR A 23 17.330 -11.958 -3.278 1.00 0.00 C ATOM 393 OH TYR A 23 18.488 -12.669 -3.498 1.00 0.00 O ATOM 0 H TYR A 23 11.265 -10.850 -1.711 1.00 0.00 H new ATOM 0 HA TYR A 23 13.911 -10.290 -0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.991 -9.999 -3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.932 -8.678 -2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.017 -12.421 -2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 23 16.268 -8.807 -2.784 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.083 -13.693 -3.323 1.00 0.00 H new ATOM 0 HE2 TYR A 23 18.333 -10.074 -3.183 1.00 0.00 H new ATOM 0 HH TYR A 23 19.250 -12.054 -3.522 1.00 0.00 H new ATOM 403 N CYS A 24 13.256 -7.866 -0.061 1.00 0.00 N ATOM 404 CA CYS A 24 12.761 -6.610 0.500 1.00 0.00 C ATOM 405 C CYS A 24 11.392 -6.797 1.150 1.00 0.00 C ATOM 406 O CYS A 24 10.547 -5.902 1.109 1.00 0.00 O ATOM 407 CB CYS A 24 12.678 -5.548 -0.593 1.00 0.00 C ATOM 408 SG CYS A 24 14.272 -5.129 -1.337 1.00 0.00 S ATOM 0 H CYS A 24 14.258 -8.011 0.061 1.00 0.00 H new ATOM 0 HA CYS A 24 13.460 -6.284 1.270 1.00 0.00 H new ATOM 0 HB2 CYS A 24 12.005 -5.899 -1.375 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.236 -4.644 -0.174 1.00 0.00 H new ATOM 0 HG CYS A 24 15.024 -4.546 -0.451 1.00 0.00 H new ATOM 414 N LYS A 25 11.178 -7.969 1.740 1.00 0.00 N ATOM 415 CA LYS A 25 9.909 -8.275 2.386 1.00 0.00 C ATOM 416 C LYS A 25 9.654 -7.364 3.577 1.00 0.00 C ATOM 417 O LYS A 25 8.508 -7.145 3.958 1.00 0.00 O ATOM 418 CB LYS A 25 9.863 -9.732 2.835 1.00 0.00 C ATOM 419 CG LYS A 25 11.141 -10.207 3.508 1.00 0.00 C ATOM 420 CD LYS A 25 10.931 -11.522 4.245 1.00 0.00 C ATOM 421 CE LYS A 25 11.826 -12.621 3.694 1.00 0.00 C ATOM 422 NZ LYS A 25 11.368 -13.974 4.114 1.00 0.00 N ATOM 0 H LYS A 25 11.866 -8.720 1.783 1.00 0.00 H new ATOM 0 HA LYS A 25 9.125 -8.105 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.029 -9.864 3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.663 -10.363 1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.923 -10.330 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.488 -9.448 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.137 -11.382 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.887 -11.825 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.841 -12.565 2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.849 -12.462 4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.005 -14.695 3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.377 -14.037 5.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.402 -14.137 3.766 1.00 0.00 H new ATOM 436 N LYS A 26 10.716 -6.829 4.167 1.00 0.00 N ATOM 437 CA LYS A 26 10.564 -5.938 5.312 1.00 0.00 C ATOM 438 C LYS A 26 9.609 -4.803 4.963 1.00 0.00 C ATOM 439 O LYS A 26 8.515 -4.696 5.522 1.00 0.00 O ATOM 440 CB LYS A 26 11.923 -5.373 5.734 1.00 0.00 C ATOM 441 CG LYS A 26 12.949 -6.443 6.068 1.00 0.00 C ATOM 442 CD LYS A 26 14.307 -5.835 6.376 1.00 0.00 C ATOM 443 CE LYS A 26 15.232 -5.891 5.170 1.00 0.00 C ATOM 444 NZ LYS A 26 16.260 -6.959 5.308 1.00 0.00 N ATOM 0 H LYS A 26 11.680 -6.993 3.877 1.00 0.00 H new ATOM 0 HA LYS A 26 10.152 -6.506 6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.312 -4.746 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.786 -4.729 6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.606 -7.023 6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.040 -7.135 5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.180 -4.799 6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.764 -6.367 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.644 -6.067 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.725 -4.927 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.870 -6.964 4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.838 -6.777 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.791 -7.882 5.401 1.00 0.00 H new ATOM 458 N GLN A 27 10.020 -3.970 4.014 1.00 0.00 N ATOM 459 CA GLN A 27 9.197 -2.858 3.571 1.00 0.00 C ATOM 460 C GLN A 27 7.926 -3.372 2.908 1.00 0.00 C ATOM 461 O GLN A 27 6.830 -2.882 3.180 1.00 0.00 O ATOM 462 CB GLN A 27 9.974 -1.976 2.593 1.00 0.00 C ATOM 463 CG GLN A 27 11.325 -1.526 3.121 1.00 0.00 C ATOM 464 CD GLN A 27 12.343 -1.317 2.018 1.00 0.00 C ATOM 465 OE1 GLN A 27 12.455 -0.226 1.458 1.00 0.00 O ATOM 466 NE2 GLN A 27 13.092 -2.366 1.697 1.00 0.00 N ATOM 0 H GLN A 27 10.919 -4.046 3.538 1.00 0.00 H new ATOM 0 HA GLN A 27 8.925 -2.262 4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.121 -2.523 1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.375 -1.097 2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.202 -0.597 3.677 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.703 -2.270 3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.966 -3.252 2.187 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.793 -2.286 0.961 1.00 0.00 H new ATOM 475 N CYS A 28 8.080 -4.364 2.032 1.00 0.00 N ATOM 476 CA CYS A 28 6.942 -4.942 1.329 1.00 0.00 C ATOM 477 C CYS A 28 5.888 -5.436 2.314 1.00 0.00 C ATOM 478 O CYS A 28 4.726 -5.038 2.241 1.00 0.00 O ATOM 479 CB CYS A 28 7.401 -6.088 0.427 1.00 0.00 C ATOM 480 SG CYS A 28 7.949 -5.559 -1.213 1.00 0.00 S ATOM 0 H CYS A 28 8.980 -4.781 1.795 1.00 0.00 H new ATOM 0 HA CYS A 28 6.494 -4.164 0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 28 8.217 -6.619 0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.582 -6.798 0.314 1.00 0.00 H new ATOM 0 HG CYS A 28 9.236 -5.711 -1.310 1.00 0.00 H new ATOM 486 N ARG A 29 6.299 -6.302 3.240 1.00 0.00 N ATOM 487 CA ARG A 29 5.380 -6.838 4.239 1.00 0.00 C ATOM 488 C ARG A 29 4.573 -5.715 4.886 1.00 0.00 C ATOM 489 O ARG A 29 3.417 -5.909 5.263 1.00 0.00 O ATOM 490 CB ARG A 29 6.139 -7.644 5.303 1.00 0.00 C ATOM 491 CG ARG A 29 6.937 -6.798 6.288 1.00 0.00 C ATOM 492 CD ARG A 29 6.697 -7.242 7.723 1.00 0.00 C ATOM 493 NE ARG A 29 5.439 -6.722 8.256 1.00 0.00 N ATOM 494 CZ ARG A 29 5.312 -5.533 8.841 1.00 0.00 C ATOM 495 NH1 ARG A 29 6.361 -4.728 8.964 1.00 0.00 N ATOM 496 NH2 ARG A 29 4.131 -5.144 9.302 1.00 0.00 N ATOM 0 H ARG A 29 7.257 -6.645 3.318 1.00 0.00 H new ATOM 0 HA ARG A 29 4.686 -7.511 3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.424 -8.250 5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.819 -8.333 4.802 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.999 -6.872 6.056 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.659 -5.750 6.179 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.687 -8.331 7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.523 -6.905 8.349 1.00 0.00 H new ATOM 0 HE ARG A 29 4.607 -7.306 8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.272 -5.019 8.609 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.256 -3.818 9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.320 -5.756 9.208 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.033 -4.233 9.750 1.00 0.00 H new ATOM 510 N ARG A 30 5.184 -4.536 4.999 1.00 0.00 N ATOM 511 CA ARG A 30 4.506 -3.385 5.587 1.00 0.00 C ATOM 512 C ARG A 30 3.504 -2.795 4.606 1.00 0.00 C ATOM 513 O ARG A 30 2.373 -2.489 4.973 1.00 0.00 O ATOM 514 CB ARG A 30 5.503 -2.301 5.992 1.00 0.00 C ATOM 515 CG ARG A 30 6.805 -2.836 6.564 1.00 0.00 C ATOM 516 CD ARG A 30 7.217 -2.081 7.818 1.00 0.00 C ATOM 517 NE ARG A 30 8.370 -2.696 8.473 1.00 0.00 N ATOM 518 CZ ARG A 30 9.625 -2.547 8.057 1.00 0.00 C ATOM 519 NH1 ARG A 30 9.896 -1.803 6.990 1.00 0.00 N ATOM 520 NH2 ARG A 30 10.615 -3.141 8.710 1.00 0.00 N ATOM 0 H ARG A 30 6.140 -4.355 4.693 1.00 0.00 H new ATOM 0 HA ARG A 30 3.984 -3.736 6.477 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.727 -1.685 5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.035 -1.650 6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.693 -3.895 6.796 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.593 -2.756 5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.455 -1.049 7.558 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.379 -2.049 8.514 1.00 0.00 H new ATOM 0 HE ARG A 30 8.203 -3.273 9.297 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.140 -1.342 6.484 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.860 -1.693 6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.414 -3.712 9.531 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.577 -3.027 8.391 1.00 0.00 H new ATOM 534 N LEU A 31 3.930 -2.631 3.355 1.00 0.00 N ATOM 535 CA LEU A 31 3.065 -2.070 2.320 1.00 0.00 C ATOM 536 C LEU A 31 1.684 -2.710 2.367 1.00 0.00 C ATOM 537 O LEU A 31 0.667 -2.020 2.401 1.00 0.00 O ATOM 538 CB LEU A 31 3.683 -2.274 0.934 1.00 0.00 C ATOM 539 CG LEU A 31 2.804 -1.846 -0.247 1.00 0.00 C ATOM 540 CD1 LEU A 31 2.176 -0.482 0.012 1.00 0.00 C ATOM 541 CD2 LEU A 31 3.618 -1.828 -1.535 1.00 0.00 C ATOM 0 H LEU A 31 4.866 -2.878 3.034 1.00 0.00 H new ATOM 0 HA LEU A 31 2.964 -1.001 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.620 -1.719 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.931 -3.329 0.817 1.00 0.00 H new ATOM 0 HG LEU A 31 1.999 -2.573 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.557 -0.199 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.559 -0.530 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.962 0.260 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.980 -1.522 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.444 -1.124 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.013 -2.825 -1.730 1.00 0.00 H new ATOM 553 N GLY A 32 1.661 -4.036 2.378 1.00 0.00 N ATOM 554 CA GLY A 32 0.406 -4.751 2.431 1.00 0.00 C ATOM 555 C GLY A 32 -0.251 -4.652 3.792 1.00 0.00 C ATOM 556 O GLY A 32 -1.456 -4.421 3.892 1.00 0.00 O ATOM 0 H GLY A 32 2.491 -4.628 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.269 -4.353 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.576 -5.800 2.187 1.00 0.00 H new ATOM 560 N HIS A 33 0.543 -4.823 4.846 1.00 0.00 N ATOM 561 CA HIS A 33 0.028 -4.743 6.206 1.00 0.00 C ATOM 562 C HIS A 33 -0.580 -3.369 6.463 1.00 0.00 C ATOM 563 O HIS A 33 -1.603 -3.250 7.138 1.00 0.00 O ATOM 564 CB HIS A 33 1.137 -5.027 7.222 1.00 0.00 C ATOM 565 CG HIS A 33 1.058 -6.394 7.826 1.00 0.00 C ATOM 566 ND1 HIS A 33 1.159 -6.624 9.182 1.00 0.00 N ATOM 567 CD2 HIS A 33 0.886 -7.610 7.253 1.00 0.00 C ATOM 568 CE1 HIS A 33 1.052 -7.920 9.417 1.00 0.00 C ATOM 569 NE2 HIS A 33 0.885 -8.539 8.262 1.00 0.00 N ATOM 0 H HIS A 33 1.542 -5.017 4.783 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.749 -5.499 6.322 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.105 -4.909 6.734 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.089 -4.284 8.018 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.771 -7.810 6.198 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.094 -8.392 10.387 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.773 -9.546 8.140 1.00 0.00 H new ATOM 578 N ARG A 34 0.041 -2.335 5.901 1.00 0.00 N ATOM 579 CA ARG A 34 -0.462 -0.980 6.053 1.00 0.00 C ATOM 580 C ARG A 34 -1.681 -0.812 5.166 1.00 0.00 C ATOM 581 O ARG A 34 -2.701 -0.255 5.576 1.00 0.00 O ATOM 582 CB ARG A 34 0.614 0.042 5.683 1.00 0.00 C ATOM 583 CG ARG A 34 1.693 0.194 6.744 1.00 0.00 C ATOM 584 CD ARG A 34 3.082 0.244 6.126 1.00 0.00 C ATOM 585 NE ARG A 34 4.021 1.003 6.947 1.00 0.00 N ATOM 586 CZ ARG A 34 4.453 0.606 8.142 1.00 0.00 C ATOM 587 NH1 ARG A 34 4.042 -0.547 8.656 1.00 0.00 N ATOM 588 NH2 ARG A 34 5.302 1.362 8.825 1.00 0.00 N ATOM 0 H ARG A 34 0.889 -2.413 5.340 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.737 -0.809 7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.079 -0.255 4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.142 1.010 5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.516 1.105 7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.635 -0.639 7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.456 -0.771 5.993 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.022 0.694 5.135 1.00 0.00 H new ATOM 0 HE ARG A 34 4.367 1.891 6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.391 -1.135 8.135 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.377 -0.845 9.572 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.624 2.248 8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.633 1.058 9.741 1.00 0.00 H new ATOM 602 N VAL A 35 -1.574 -1.339 3.951 1.00 0.00 N ATOM 603 CA VAL A 35 -2.673 -1.292 2.997 1.00 0.00 C ATOM 604 C VAL A 35 -3.920 -1.909 3.621 1.00 0.00 C ATOM 605 O VAL A 35 -5.002 -1.321 3.590 1.00 0.00 O ATOM 606 CB VAL A 35 -2.316 -2.044 1.695 1.00 0.00 C ATOM 607 CG1 VAL A 35 -3.568 -2.432 0.919 1.00 0.00 C ATOM 608 CG2 VAL A 35 -1.388 -1.203 0.833 1.00 0.00 C ATOM 0 H VAL A 35 -0.735 -1.804 3.604 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.863 -0.248 2.746 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.798 -2.963 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.283 -2.959 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.191 -3.081 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.127 -1.534 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.147 -1.747 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.880 -0.265 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.471 -0.993 1.383 1.00 0.00 H new ATOM 618 N LEU A 36 -3.751 -3.095 4.204 1.00 0.00 N ATOM 619 CA LEU A 36 -4.852 -3.793 4.858 1.00 0.00 C ATOM 620 C LEU A 36 -5.549 -2.868 5.846 1.00 0.00 C ATOM 621 O LEU A 36 -6.775 -2.811 5.901 1.00 0.00 O ATOM 622 CB LEU A 36 -4.340 -5.037 5.593 1.00 0.00 C ATOM 623 CG LEU A 36 -3.947 -6.222 4.705 1.00 0.00 C ATOM 624 CD1 LEU A 36 -3.778 -7.477 5.544 1.00 0.00 C ATOM 625 CD2 LEU A 36 -4.985 -6.453 3.619 1.00 0.00 C ATOM 0 H LEU A 36 -2.860 -3.591 4.236 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.563 -4.102 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.474 -4.752 6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.112 -5.368 6.288 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.997 -5.987 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.499 -8.311 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.997 -7.315 6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.717 -7.707 6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.684 -7.299 3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.951 -6.664 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.066 -5.561 2.997 1.00 0.00 H new ATOM 637 N GLY A 37 -4.750 -2.140 6.621 1.00 0.00 N ATOM 638 CA GLY A 37 -5.297 -1.218 7.598 1.00 0.00 C ATOM 639 C GLY A 37 -6.213 -0.189 6.966 1.00 0.00 C ATOM 640 O GLY A 37 -7.143 0.303 7.604 1.00 0.00 O ATOM 0 H GLY A 37 -3.731 -2.173 6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.849 -1.777 8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.481 -0.709 8.111 1.00 0.00 H new ATOM 644 N LEU A 38 -5.953 0.125 5.702 1.00 0.00 N ATOM 645 CA LEU A 38 -6.763 1.089 4.967 1.00 0.00 C ATOM 646 C LEU A 38 -8.082 0.449 4.558 1.00 0.00 C ATOM 647 O LEU A 38 -9.119 1.110 4.500 1.00 0.00 O ATOM 648 CB LEU A 38 -6.013 1.587 3.730 1.00 0.00 C ATOM 649 CG LEU A 38 -4.526 1.883 3.940 1.00 0.00 C ATOM 650 CD1 LEU A 38 -3.826 2.035 2.602 1.00 0.00 C ATOM 651 CD2 LEU A 38 -4.338 3.136 4.784 1.00 0.00 C ATOM 0 H LEU A 38 -5.185 -0.276 5.163 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.965 1.943 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.110 0.840 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.500 2.494 3.371 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.081 1.043 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.769 2.245 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.928 1.112 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.277 2.857 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.273 3.327 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.797 3.986 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.808 2.993 5.757 1.00 0.00 H new ATOM 663 N ILE A 39 -8.028 -0.849 4.290 1.00 0.00 N ATOM 664 CA ILE A 39 -9.204 -1.609 3.903 1.00 0.00 C ATOM 665 C ILE A 39 -9.896 -2.172 5.143 1.00 0.00 C ATOM 666 O ILE A 39 -11.044 -2.614 5.083 1.00 0.00 O ATOM 667 CB ILE A 39 -8.831 -2.758 2.924 1.00 0.00 C ATOM 668 CG1 ILE A 39 -8.900 -4.129 3.609 1.00 0.00 C ATOM 669 CG2 ILE A 39 -7.442 -2.536 2.347 1.00 0.00 C ATOM 670 CD1 ILE A 39 -8.271 -5.249 2.802 1.00 0.00 C ATOM 0 H ILE A 39 -7.171 -1.400 4.335 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.890 -0.937 3.387 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.561 -2.748 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.402 -4.067 4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.944 -4.376 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.197 -3.350 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.419 -1.590 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.712 -2.509 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.359 -6.187 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.784 -5.340 1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.218 -5.026 2.630 1.00 0.00 H new ATOM 682 N LYS A 40 -9.177 -2.158 6.263 1.00 0.00 N ATOM 683 CA LYS A 40 -9.703 -2.671 7.525 1.00 0.00 C ATOM 684 C LYS A 40 -11.036 -2.016 7.894 1.00 0.00 C ATOM 685 O LYS A 40 -12.059 -2.694 7.989 1.00 0.00 O ATOM 686 CB LYS A 40 -8.689 -2.455 8.654 1.00 0.00 C ATOM 687 CG LYS A 40 -7.669 -3.578 8.791 1.00 0.00 C ATOM 688 CD LYS A 40 -8.341 -4.938 8.909 1.00 0.00 C ATOM 689 CE LYS A 40 -7.432 -5.951 9.586 1.00 0.00 C ATOM 690 NZ LYS A 40 -7.281 -5.676 11.041 1.00 0.00 N ATOM 0 H LYS A 40 -8.225 -1.796 6.322 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.878 -3.739 7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.161 -1.517 8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.226 -2.349 9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.005 -3.574 7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.049 -3.401 9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.266 -4.840 9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.613 -5.298 7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.837 -6.953 9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.452 -5.934 9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.939 -6.532 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.598 -4.904 11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.201 -5.399 11.439 1.00 0.00 H new ATOM 704 N PRO A 41 -11.046 -0.687 8.115 1.00 0.00 N ATOM 705 CA PRO A 41 -12.268 0.038 8.482 1.00 0.00 C ATOM 706 C PRO A 41 -13.373 -0.132 7.449 1.00 0.00 C ATOM 707 O PRO A 41 -14.551 -0.222 7.797 1.00 0.00 O ATOM 708 CB PRO A 41 -11.823 1.506 8.568 1.00 0.00 C ATOM 709 CG PRO A 41 -10.505 1.565 7.869 1.00 0.00 C ATOM 710 CD PRO A 41 -9.882 0.208 8.031 1.00 0.00 C ATOM 0 HA PRO A 41 -12.691 -0.336 9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.549 2.165 8.092 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.732 1.828 9.605 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.634 1.810 6.815 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.870 2.339 8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.240 -0.044 7.187 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.265 0.152 8.928 1.00 0.00 H new ATOM 718 N LEU A 42 -12.993 -0.190 6.178 1.00 0.00 N ATOM 719 CA LEU A 42 -13.967 -0.365 5.111 1.00 0.00 C ATOM 720 C LEU A 42 -14.709 -1.679 5.292 1.00 0.00 C ATOM 721 O LEU A 42 -15.908 -1.769 5.035 1.00 0.00 O ATOM 722 CB LEU A 42 -13.292 -0.352 3.745 1.00 0.00 C ATOM 723 CG LEU A 42 -12.305 0.788 3.508 1.00 0.00 C ATOM 724 CD1 LEU A 42 -11.484 0.506 2.265 1.00 0.00 C ATOM 725 CD2 LEU A 42 -13.041 2.114 3.381 1.00 0.00 C ATOM 0 H LEU A 42 -12.025 -0.119 5.864 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.671 0.465 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.767 -1.297 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.065 -0.305 2.978 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.632 0.858 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.781 1.323 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.934 -0.426 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.146 0.418 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.321 2.915 3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.734 2.066 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.596 2.312 4.298 1.00 0.00 H new ATOM 737 N GLU A 43 -13.985 -2.696 5.747 1.00 0.00 N ATOM 738 CA GLU A 43 -14.572 -4.006 5.973 1.00 0.00 C ATOM 739 C GLU A 43 -15.823 -3.882 6.837 1.00 0.00 C ATOM 740 O GLU A 43 -16.777 -4.640 6.685 1.00 0.00 O ATOM 741 CB GLU A 43 -13.560 -4.939 6.644 1.00 0.00 C ATOM 742 CG GLU A 43 -12.265 -5.091 5.864 1.00 0.00 C ATOM 743 CD GLU A 43 -11.799 -6.532 5.785 1.00 0.00 C ATOM 744 OE1 GLU A 43 -12.248 -7.348 6.616 1.00 0.00 O ATOM 745 OE2 GLU A 43 -10.985 -6.844 4.891 1.00 0.00 O ATOM 0 H GLU A 43 -12.991 -2.635 5.966 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.850 -4.430 5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.332 -4.559 7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.014 -5.921 6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.405 -4.702 4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.489 -4.487 6.334 1.00 0.00 H new ATOM 752 N MET A 44 -15.814 -2.906 7.738 1.00 0.00 N ATOM 753 CA MET A 44 -16.954 -2.670 8.613 1.00 0.00 C ATOM 754 C MET A 44 -18.007 -1.824 7.902 1.00 0.00 C ATOM 755 O MET A 44 -19.183 -1.837 8.264 1.00 0.00 O ATOM 756 CB MET A 44 -16.503 -1.968 9.895 1.00 0.00 C ATOM 757 CG MET A 44 -15.295 -2.616 10.552 1.00 0.00 C ATOM 758 SD MET A 44 -14.343 -1.457 11.551 1.00 0.00 S ATOM 759 CE MET A 44 -13.318 -2.584 12.494 1.00 0.00 C ATOM 0 H MET A 44 -15.032 -2.267 7.881 1.00 0.00 H new ATOM 0 HA MET A 44 -17.393 -3.634 8.872 1.00 0.00 H new ATOM 0 HB2 MET A 44 -16.268 -0.929 9.666 1.00 0.00 H new ATOM 0 HB3 MET A 44 -17.330 -1.959 10.604 1.00 0.00 H new ATOM 0 HG2 MET A 44 -15.628 -3.443 11.180 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.651 -3.040 9.781 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.670 -2.015 13.161 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.952 -3.247 13.082 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.707 -3.176 11.813 1.00 0.00 H new ATOM 769 N LEU A 45 -17.566 -1.077 6.891 1.00 0.00 N ATOM 770 CA LEU A 45 -18.453 -0.208 6.126 1.00 0.00 C ATOM 771 C LEU A 45 -19.080 -0.930 4.932 1.00 0.00 C ATOM 772 O LEU A 45 -20.304 -1.012 4.822 1.00 0.00 O ATOM 773 CB LEU A 45 -17.675 1.013 5.630 1.00 0.00 C ATOM 774 CG LEU A 45 -17.887 2.295 6.434 1.00 0.00 C ATOM 775 CD1 LEU A 45 -17.185 2.203 7.780 1.00 0.00 C ATOM 776 CD2 LEU A 45 -17.385 3.496 5.649 1.00 0.00 C ATOM 0 H LEU A 45 -16.594 -1.058 6.583 1.00 0.00 H new ATOM 0 HA LEU A 45 -19.261 0.101 6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.612 0.772 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.953 1.204 4.594 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.955 2.420 6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -17.347 3.125 8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -17.588 1.362 8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -16.116 2.057 7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.542 4.403 6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.321 3.377 5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.931 3.570 4.709 1.00 0.00 H new ATOM 788 N GLN A 46 -18.240 -1.423 4.024 1.00 0.00 N ATOM 789 CA GLN A 46 -18.728 -2.100 2.823 1.00 0.00 C ATOM 790 C GLN A 46 -19.186 -3.534 3.099 1.00 0.00 C ATOM 791 O GLN A 46 -20.262 -3.937 2.657 1.00 0.00 O ATOM 792 CB GLN A 46 -17.653 -2.089 1.733 1.00 0.00 C ATOM 793 CG GLN A 46 -16.464 -2.991 2.023 1.00 0.00 C ATOM 794 CD GLN A 46 -16.699 -4.425 1.590 1.00 0.00 C ATOM 795 OE1 GLN A 46 -17.461 -4.688 0.660 1.00 0.00 O ATOM 796 NE2 GLN A 46 -16.042 -5.361 2.266 1.00 0.00 N ATOM 0 H GLN A 46 -17.224 -1.367 4.095 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.602 -1.546 2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -18.105 -2.394 0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.296 -1.068 1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.584 -2.601 1.512 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.248 -2.969 3.091 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.420 -5.097 3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.159 -6.344 2.021 1.00 0.00 H new ATOM 805 N ASP A 47 -18.371 -4.310 3.810 1.00 0.00 N ATOM 806 CA ASP A 47 -18.722 -5.698 4.103 1.00 0.00 C ATOM 807 C ASP A 47 -20.043 -5.783 4.863 1.00 0.00 C ATOM 808 O ASP A 47 -20.933 -6.549 4.493 1.00 0.00 O ATOM 809 CB ASP A 47 -17.611 -6.382 4.900 1.00 0.00 C ATOM 810 CG ASP A 47 -17.346 -7.796 4.425 1.00 0.00 C ATOM 811 OD1 ASP A 47 -18.100 -8.708 4.827 1.00 0.00 O ATOM 812 OD2 ASP A 47 -16.385 -7.995 3.653 1.00 0.00 O ATOM 0 H ASP A 47 -17.474 -4.007 4.190 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.840 -6.217 3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.695 -5.796 4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.884 -6.401 5.955 1.00 0.00 H new ATOM 928 N SER A 55 -20.876 8.144 -4.299 1.00 0.00 N ATOM 929 CA SER A 55 -20.839 9.427 -4.989 1.00 0.00 C ATOM 930 C SER A 55 -19.687 9.475 -5.988 1.00 0.00 C ATOM 931 O SER A 55 -18.925 8.516 -6.119 1.00 0.00 O ATOM 932 CB SER A 55 -20.704 10.570 -3.980 1.00 0.00 C ATOM 933 OG SER A 55 -21.938 11.246 -3.807 1.00 0.00 O ATOM 0 HA SER A 55 -21.775 9.544 -5.536 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.364 10.176 -3.022 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.945 11.274 -4.322 1.00 0.00 H new ATOM 0 HG SER A 55 -21.922 11.745 -2.964 1.00 0.00 H new ATOM 939 N GLU A 56 -19.566 10.596 -6.690 1.00 0.00 N ATOM 940 CA GLU A 56 -18.506 10.769 -7.677 1.00 0.00 C ATOM 941 C GLU A 56 -17.153 10.945 -6.997 1.00 0.00 C ATOM 942 O GLU A 56 -16.154 10.367 -7.426 1.00 0.00 O ATOM 943 CB GLU A 56 -18.802 11.978 -8.568 1.00 0.00 C ATOM 944 CG GLU A 56 -17.795 12.165 -9.692 1.00 0.00 C ATOM 945 CD GLU A 56 -18.329 11.706 -11.034 1.00 0.00 C ATOM 946 OE1 GLU A 56 -19.127 10.745 -11.060 1.00 0.00 O ATOM 947 OE2 GLU A 56 -17.948 12.307 -12.061 1.00 0.00 O ATOM 0 H GLU A 56 -20.188 11.398 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.469 9.871 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.798 11.867 -8.998 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.819 12.877 -7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.518 13.217 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.887 11.610 -9.457 1.00 0.00 H new ATOM 954 N LYS A 57 -17.125 11.746 -5.937 1.00 0.00 N ATOM 955 CA LYS A 57 -15.893 11.998 -5.201 1.00 0.00 C ATOM 956 C LYS A 57 -15.406 10.731 -4.503 1.00 0.00 C ATOM 957 O LYS A 57 -14.215 10.423 -4.517 1.00 0.00 O ATOM 958 CB LYS A 57 -16.106 13.108 -4.171 1.00 0.00 C ATOM 959 CG LYS A 57 -16.599 14.413 -4.776 1.00 0.00 C ATOM 960 CD LYS A 57 -15.441 15.320 -5.162 1.00 0.00 C ATOM 961 CE LYS A 57 -15.166 16.359 -4.086 1.00 0.00 C ATOM 962 NZ LYS A 57 -14.421 17.530 -4.624 1.00 0.00 N ATOM 0 H LYS A 57 -17.943 12.232 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.133 12.314 -5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.825 12.768 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.168 13.291 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.206 14.201 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.242 14.926 -4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.546 14.720 -5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.667 15.820 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.110 16.695 -3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.592 15.903 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.253 18.215 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.509 17.213 -5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.979 17.981 -5.377 1.00 0.00 H new ATOM 976 N LEU A 58 -16.334 10.000 -3.895 1.00 0.00 N ATOM 977 CA LEU A 58 -15.995 8.769 -3.192 1.00 0.00 C ATOM 978 C LEU A 58 -15.391 7.748 -4.149 1.00 0.00 C ATOM 979 O LEU A 58 -14.301 7.228 -3.909 1.00 0.00 O ATOM 980 CB LEU A 58 -17.236 8.181 -2.517 1.00 0.00 C ATOM 981 CG LEU A 58 -17.028 6.828 -1.830 1.00 0.00 C ATOM 982 CD1 LEU A 58 -15.777 6.852 -0.964 1.00 0.00 C ATOM 983 CD2 LEU A 58 -18.247 6.461 -0.997 1.00 0.00 C ATOM 0 H LEU A 58 -17.326 10.239 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.256 9.008 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.599 8.894 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.020 8.073 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 58 -16.895 6.069 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.647 5.882 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.908 7.069 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.878 7.623 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -18.082 5.497 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.410 7.223 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -19.123 6.399 -1.642 1.00 0.00 H new ATOM 995 N THR A 59 -16.102 7.469 -5.237 1.00 0.00 N ATOM 996 CA THR A 59 -15.629 6.512 -6.229 1.00 0.00 C ATOM 997 C THR A 59 -14.276 6.946 -6.787 1.00 0.00 C ATOM 998 O THR A 59 -13.418 6.113 -7.072 1.00 0.00 O ATOM 999 CB THR A 59 -16.647 6.368 -7.364 1.00 0.00 C ATOM 1000 OG1 THR A 59 -16.353 5.232 -8.158 1.00 0.00 O ATOM 1001 CG2 THR A 59 -16.702 7.569 -8.286 1.00 0.00 C ATOM 0 H THR A 59 -17.005 7.891 -5.453 1.00 0.00 H new ATOM 0 HA THR A 59 -15.511 5.544 -5.742 1.00 0.00 H new ATOM 0 HB THR A 59 -17.613 6.270 -6.869 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.014 5.155 -8.877 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.444 7.396 -9.065 1.00 0.00 H new ATOM 0 HG22 THR A 59 -16.977 8.455 -7.713 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.725 7.721 -8.744 1.00 0.00 H new ATOM 1009 N THR A 60 -14.089 8.256 -6.933 1.00 0.00 N ATOM 1010 CA THR A 60 -12.835 8.793 -7.448 1.00 0.00 C ATOM 1011 C THR A 60 -11.692 8.448 -6.498 1.00 0.00 C ATOM 1012 O THR A 60 -10.584 8.132 -6.929 1.00 0.00 O ATOM 1013 CB THR A 60 -12.944 10.312 -7.652 1.00 0.00 C ATOM 1014 OG1 THR A 60 -12.517 10.669 -8.954 1.00 0.00 O ATOM 1015 CG2 THR A 60 -12.132 11.129 -6.669 1.00 0.00 C ATOM 0 H THR A 60 -14.788 8.962 -6.702 1.00 0.00 H new ATOM 0 HA THR A 60 -12.626 8.340 -8.417 1.00 0.00 H new ATOM 0 HB THR A 60 -13.998 10.540 -7.492 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.594 11.639 -9.069 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.264 12.190 -6.881 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.469 10.917 -5.654 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.078 10.868 -6.763 1.00 0.00 H new ATOM 1023 N ALA A 61 -11.984 8.486 -5.201 1.00 0.00 N ATOM 1024 CA ALA A 61 -10.994 8.150 -4.190 1.00 0.00 C ATOM 1025 C ALA A 61 -10.747 6.658 -4.226 1.00 0.00 C ATOM 1026 O ALA A 61 -9.609 6.196 -4.304 1.00 0.00 O ATOM 1027 CB ALA A 61 -11.469 8.571 -2.812 1.00 0.00 C ATOM 0 H ALA A 61 -12.897 8.746 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.067 8.683 -4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.713 8.310 -2.071 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.635 9.648 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.401 8.057 -2.576 1.00 0.00 H new ATOM 1033 N MET A 62 -11.843 5.910 -4.208 1.00 0.00 N ATOM 1034 CA MET A 62 -11.790 4.470 -4.279 1.00 0.00 C ATOM 1035 C MET A 62 -11.106 4.063 -5.576 1.00 0.00 C ATOM 1036 O MET A 62 -10.416 3.046 -5.641 1.00 0.00 O ATOM 1037 CB MET A 62 -13.206 3.913 -4.223 1.00 0.00 C ATOM 1038 CG MET A 62 -14.064 4.552 -3.139 1.00 0.00 C ATOM 1039 SD MET A 62 -14.716 3.354 -1.963 1.00 0.00 S ATOM 1040 CE MET A 62 -15.246 2.071 -3.087 1.00 0.00 C ATOM 0 H MET A 62 -12.787 6.291 -4.144 1.00 0.00 H new ATOM 0 HA MET A 62 -11.223 4.070 -3.439 1.00 0.00 H new ATOM 0 HB2 MET A 62 -13.686 4.062 -5.190 1.00 0.00 H new ATOM 0 HB3 MET A 62 -13.159 2.837 -4.052 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.471 5.293 -2.603 1.00 0.00 H new ATOM 0 HG3 MET A 62 -14.893 5.084 -3.606 1.00 0.00 H new ATOM 0 HE1 MET A 62 -16.160 1.612 -2.711 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.435 2.503 -4.070 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.467 1.313 -3.168 1.00 0.00 H new ATOM 1050 N ASN A 63 -11.284 4.895 -6.603 1.00 0.00 N ATOM 1051 CA ASN A 63 -10.661 4.652 -7.894 1.00 0.00 C ATOM 1052 C ASN A 63 -9.160 4.815 -7.747 1.00 0.00 C ATOM 1053 O ASN A 63 -8.387 3.917 -8.077 1.00 0.00 O ATOM 1054 CB ASN A 63 -11.201 5.625 -8.946 1.00 0.00 C ATOM 1055 CG ASN A 63 -12.450 5.108 -9.632 1.00 0.00 C ATOM 1056 OD1 ASN A 63 -12.473 3.989 -10.145 1.00 0.00 O ATOM 1057 ND2 ASN A 63 -13.497 5.926 -9.645 1.00 0.00 N ATOM 0 H ASN A 63 -11.854 5.740 -6.561 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.893 3.640 -8.225 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.421 6.582 -8.472 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.430 5.810 -9.694 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.366 5.635 -10.093 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.432 6.845 -9.207 1.00 0.00 H new ATOM 1064 N ARG A 64 -8.761 5.960 -7.201 1.00 0.00 N ATOM 1065 CA ARG A 64 -7.357 6.236 -6.954 1.00 0.00 C ATOM 1066 C ARG A 64 -6.805 5.165 -6.024 1.00 0.00 C ATOM 1067 O ARG A 64 -5.649 4.764 -6.126 1.00 0.00 O ATOM 1068 CB ARG A 64 -7.193 7.616 -6.313 1.00 0.00 C ATOM 1069 CG ARG A 64 -6.598 8.657 -7.244 1.00 0.00 C ATOM 1070 CD ARG A 64 -7.633 9.693 -7.658 1.00 0.00 C ATOM 1071 NE ARG A 64 -7.018 10.860 -8.286 1.00 0.00 N ATOM 1072 CZ ARG A 64 -6.309 11.770 -7.623 1.00 0.00 C ATOM 1073 NH1 ARG A 64 -6.122 11.653 -6.314 1.00 0.00 N ATOM 1074 NH2 ARG A 64 -5.783 12.800 -8.271 1.00 0.00 N ATOM 0 H ARG A 64 -9.394 6.710 -6.922 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.811 6.227 -7.898 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.167 7.964 -5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.557 7.524 -5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.763 9.153 -6.750 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.198 8.167 -8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.342 9.240 -8.351 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.200 10.009 -6.782 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.139 10.984 -9.291 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.523 10.862 -5.810 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.577 12.354 -5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.922 12.894 -9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.239 13.498 -7.763 1.00 0.00 H new ATOM 1088 N PHE A 65 -7.668 4.709 -5.120 1.00 0.00 N ATOM 1089 CA PHE A 65 -7.320 3.679 -4.154 1.00 0.00 C ATOM 1090 C PHE A 65 -7.058 2.353 -4.848 1.00 0.00 C ATOM 1091 O PHE A 65 -5.952 1.813 -4.790 1.00 0.00 O ATOM 1092 CB PHE A 65 -8.463 3.525 -3.157 1.00 0.00 C ATOM 1093 CG PHE A 65 -8.089 2.869 -1.860 1.00 0.00 C ATOM 1094 CD1 PHE A 65 -6.767 2.777 -1.440 1.00 0.00 C ATOM 1095 CD2 PHE A 65 -9.080 2.353 -1.051 1.00 0.00 C ATOM 1096 CE1 PHE A 65 -6.453 2.177 -0.236 1.00 0.00 C ATOM 1097 CE2 PHE A 65 -8.774 1.757 0.152 1.00 0.00 C ATOM 1098 CZ PHE A 65 -7.459 1.667 0.561 1.00 0.00 C ATOM 0 H PHE A 65 -8.628 5.045 -5.039 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.409 3.975 -3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.874 4.512 -2.943 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.258 2.944 -3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.979 3.178 -2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.111 2.417 -1.366 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.423 2.107 0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.562 1.360 0.775 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.217 1.198 1.503 1.00 0.00 H new ATOM 1108 N LYS A 66 -8.084 1.835 -5.511 1.00 0.00 N ATOM 1109 CA LYS A 66 -7.976 0.573 -6.226 1.00 0.00 C ATOM 1110 C LYS A 66 -6.825 0.625 -7.229 1.00 0.00 C ATOM 1111 O LYS A 66 -6.111 -0.360 -7.421 1.00 0.00 O ATOM 1112 CB LYS A 66 -9.318 0.259 -6.903 1.00 0.00 C ATOM 1113 CG LYS A 66 -9.220 -0.462 -8.232 1.00 0.00 C ATOM 1114 CD LYS A 66 -9.364 0.502 -9.400 1.00 0.00 C ATOM 1115 CE LYS A 66 -8.094 0.571 -10.234 1.00 0.00 C ATOM 1116 NZ LYS A 66 -8.370 0.375 -11.684 1.00 0.00 N ATOM 0 H LYS A 66 -9.004 2.273 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.751 -0.232 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.916 -0.347 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.857 1.194 -7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.261 -0.976 -8.299 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.996 -1.226 -8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.196 0.188 -10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.606 1.496 -9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.613 1.538 -10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.393 -0.190 -9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.479 0.429 -12.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.806 -0.558 -11.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.019 1.117 -12.017 1.00 0.00 H new ATOM 1130 N ALA A 67 -6.635 1.785 -7.846 1.00 0.00 N ATOM 1131 CA ALA A 67 -5.554 1.964 -8.805 1.00 0.00 C ATOM 1132 C ALA A 67 -4.218 2.079 -8.080 1.00 0.00 C ATOM 1133 O ALA A 67 -3.235 1.437 -8.454 1.00 0.00 O ATOM 1134 CB ALA A 67 -5.802 3.193 -9.667 1.00 0.00 C ATOM 0 H ALA A 67 -7.213 2.612 -7.700 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.521 1.091 -9.457 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.984 3.310 -10.377 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.740 3.073 -10.210 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.861 4.077 -9.032 1.00 0.00 H new ATOM 1140 N ALA A 68 -4.194 2.893 -7.027 1.00 0.00 N ATOM 1141 CA ALA A 68 -2.985 3.083 -6.236 1.00 0.00 C ATOM 1142 C ALA A 68 -2.461 1.742 -5.743 1.00 0.00 C ATOM 1143 O ALA A 68 -1.255 1.548 -5.599 1.00 0.00 O ATOM 1144 CB ALA A 68 -3.254 4.019 -5.063 1.00 0.00 C ATOM 0 H ALA A 68 -4.998 3.430 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.224 3.540 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.340 4.149 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.586 4.987 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.029 3.591 -4.427 1.00 0.00 H new ATOM 1150 N LEU A 69 -3.380 0.814 -5.504 1.00 0.00 N ATOM 1151 CA LEU A 69 -3.013 -0.517 -5.048 1.00 0.00 C ATOM 1152 C LEU A 69 -2.216 -1.228 -6.125 1.00 0.00 C ATOM 1153 O LEU A 69 -1.112 -1.712 -5.876 1.00 0.00 O ATOM 1154 CB LEU A 69 -4.259 -1.320 -4.697 1.00 0.00 C ATOM 1155 CG LEU A 69 -4.810 -1.049 -3.304 1.00 0.00 C ATOM 1156 CD1 LEU A 69 -6.306 -1.312 -3.258 1.00 0.00 C ATOM 1157 CD2 LEU A 69 -4.076 -1.892 -2.277 1.00 0.00 C ATOM 0 H LEU A 69 -4.383 0.960 -5.619 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.398 -0.426 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.035 -1.102 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.028 -2.382 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.649 0.002 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.680 -1.112 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.812 -0.660 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.501 -2.353 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.479 -1.689 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.207 -2.948 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.015 -1.645 -2.295 1.00 0.00 H new ATOM 1169 N GLU A 70 -2.775 -1.264 -7.334 1.00 0.00 N ATOM 1170 CA GLU A 70 -2.107 -1.892 -8.468 1.00 0.00 C ATOM 1171 C GLU A 70 -0.638 -1.491 -8.482 1.00 0.00 C ATOM 1172 O GLU A 70 0.228 -2.274 -8.867 1.00 0.00 O ATOM 1173 CB GLU A 70 -2.778 -1.485 -9.781 1.00 0.00 C ATOM 1174 CG GLU A 70 -3.907 -2.412 -10.201 1.00 0.00 C ATOM 1175 CD GLU A 70 -3.414 -3.612 -10.985 1.00 0.00 C ATOM 1176 OE1 GLU A 70 -2.527 -4.331 -10.477 1.00 0.00 O ATOM 1177 OE2 GLU A 70 -3.914 -3.835 -12.108 1.00 0.00 O ATOM 0 H GLU A 70 -3.688 -0.865 -7.551 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.184 -2.975 -8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.169 -0.472 -9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.027 -1.460 -10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.439 -2.756 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.623 -1.856 -10.807 1.00 0.00 H new ATOM 1184 N GLU A 71 -0.366 -0.270 -8.024 1.00 0.00 N ATOM 1185 CA GLU A 71 1.000 0.218 -7.947 1.00 0.00 C ATOM 1186 C GLU A 71 1.787 -0.644 -6.966 1.00 0.00 C ATOM 1187 O GLU A 71 2.798 -1.244 -7.326 1.00 0.00 O ATOM 1188 CB GLU A 71 1.026 1.681 -7.507 1.00 0.00 C ATOM 1189 CG GLU A 71 2.366 2.357 -7.742 1.00 0.00 C ATOM 1190 CD GLU A 71 2.559 2.782 -9.184 1.00 0.00 C ATOM 1191 OE1 GLU A 71 1.545 2.967 -9.890 1.00 0.00 O ATOM 1192 OE2 GLU A 71 3.724 2.932 -9.608 1.00 0.00 O ATOM 0 H GLU A 71 -1.072 0.392 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 71 1.458 0.155 -8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.252 2.228 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.779 1.739 -6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.446 3.231 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.168 1.675 -7.457 1.00 0.00 H new ATOM 1199 N ALA A 72 1.295 -0.722 -5.729 1.00 0.00 N ATOM 1200 CA ALA A 72 1.937 -1.538 -4.707 1.00 0.00 C ATOM 1201 C ALA A 72 1.971 -2.991 -5.158 1.00 0.00 C ATOM 1202 O ALA A 72 3.016 -3.641 -5.127 1.00 0.00 O ATOM 1203 CB ALA A 72 1.201 -1.413 -3.381 1.00 0.00 C ATOM 0 H ALA A 72 0.458 -0.231 -5.415 1.00 0.00 H new ATOM 0 HA ALA A 72 2.958 -1.184 -4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.696 -2.030 -2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.208 -0.372 -3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.171 -1.747 -3.504 1.00 0.00 H new ATOM 1209 N ASN A 73 0.817 -3.489 -5.597 1.00 0.00 N ATOM 1210 CA ASN A 73 0.707 -4.859 -6.081 1.00 0.00 C ATOM 1211 C ASN A 73 1.720 -5.105 -7.193 1.00 0.00 C ATOM 1212 O ASN A 73 2.434 -6.109 -7.191 1.00 0.00 O ATOM 1213 CB ASN A 73 -0.709 -5.126 -6.597 1.00 0.00 C ATOM 1214 CG ASN A 73 -0.869 -6.527 -7.157 1.00 0.00 C ATOM 1215 OD1 ASN A 73 -0.751 -6.744 -8.363 1.00 0.00 O ATOM 1216 ND2 ASN A 73 -1.141 -7.484 -6.279 1.00 0.00 N ATOM 0 H ASN A 73 -0.055 -2.961 -5.627 1.00 0.00 H new ATOM 0 HA ASN A 73 0.915 -5.539 -5.255 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.422 -4.979 -5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.953 -4.399 -7.371 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.261 -8.446 -6.595 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.230 -7.257 -5.289 1.00 0.00 H new ATOM 1223 N GLY A 74 1.782 -4.171 -8.137 1.00 0.00 N ATOM 1224 CA GLY A 74 2.715 -4.288 -9.240 1.00 0.00 C ATOM 1225 C GLY A 74 4.148 -4.142 -8.778 1.00 0.00 C ATOM 1226 O GLY A 74 5.038 -4.848 -9.251 1.00 0.00 O ATOM 0 H GLY A 74 1.200 -3.333 -8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.586 -5.256 -9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.494 -3.525 -9.986 1.00 0.00 H new ATOM 1230 N GLU A 75 4.368 -3.227 -7.838 1.00 0.00 N ATOM 1231 CA GLU A 75 5.699 -2.998 -7.297 1.00 0.00 C ATOM 1232 C GLU A 75 6.169 -4.233 -6.538 1.00 0.00 C ATOM 1233 O GLU A 75 7.289 -4.706 -6.729 1.00 0.00 O ATOM 1234 CB GLU A 75 5.696 -1.772 -6.374 1.00 0.00 C ATOM 1235 CG GLU A 75 5.718 -0.449 -7.120 1.00 0.00 C ATOM 1236 CD GLU A 75 7.124 0.014 -7.449 1.00 0.00 C ATOM 1237 OE1 GLU A 75 7.966 -0.842 -7.794 1.00 0.00 O ATOM 1238 OE2 GLU A 75 7.384 1.233 -7.360 1.00 0.00 O ATOM 0 H GLU A 75 3.641 -2.634 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 75 6.387 -2.807 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.810 -1.807 -5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.562 -1.822 -5.714 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.147 -0.548 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.221 0.311 -6.518 1.00 0.00 H new ATOM 1245 N ILE A 76 5.292 -4.761 -5.693 1.00 0.00 N ATOM 1246 CA ILE A 76 5.594 -5.953 -4.913 1.00 0.00 C ATOM 1247 C ILE A 76 5.753 -7.163 -5.827 1.00 0.00 C ATOM 1248 O ILE A 76 6.585 -8.037 -5.582 1.00 0.00 O ATOM 1249 CB ILE A 76 4.480 -6.234 -3.881 1.00 0.00 C ATOM 1250 CG1 ILE A 76 4.393 -5.089 -2.872 1.00 0.00 C ATOM 1251 CG2 ILE A 76 4.725 -7.556 -3.166 1.00 0.00 C ATOM 1252 CD1 ILE A 76 3.029 -4.956 -2.230 1.00 0.00 C ATOM 0 H ILE A 76 4.360 -4.379 -5.530 1.00 0.00 H new ATOM 0 HA ILE A 76 6.530 -5.775 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 76 3.531 -6.306 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.140 -5.244 -2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.644 -4.154 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.928 -7.732 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.741 -8.366 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.682 -7.517 -2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.038 -4.125 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.281 -4.770 -3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.784 -5.877 -1.701 1.00 0.00 H new ATOM 1264 N GLU A 77 4.950 -7.205 -6.886 1.00 0.00 N ATOM 1265 CA GLU A 77 4.999 -8.303 -7.842 1.00 0.00 C ATOM 1266 C GLU A 77 6.230 -8.189 -8.736 1.00 0.00 C ATOM 1267 O GLU A 77 6.909 -9.180 -9.003 1.00 0.00 O ATOM 1268 CB GLU A 77 3.730 -8.317 -8.697 1.00 0.00 C ATOM 1269 CG GLU A 77 3.706 -9.426 -9.736 1.00 0.00 C ATOM 1270 CD GLU A 77 2.349 -10.093 -9.847 1.00 0.00 C ATOM 1271 OE1 GLU A 77 1.662 -10.215 -8.811 1.00 0.00 O ATOM 1272 OE2 GLU A 77 1.974 -10.492 -10.969 1.00 0.00 O ATOM 0 H GLU A 77 4.257 -6.489 -7.103 1.00 0.00 H new ATOM 0 HA GLU A 77 5.063 -9.238 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.864 -8.424 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.632 -7.356 -9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.985 -9.016 -10.706 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.455 -10.175 -9.479 1.00 0.00 H new ATOM 1279 N LYS A 78 6.514 -6.973 -9.192 1.00 0.00 N ATOM 1280 CA LYS A 78 7.666 -6.730 -10.053 1.00 0.00 C ATOM 1281 C LYS A 78 8.973 -6.882 -9.277 1.00 0.00 C ATOM 1282 O LYS A 78 10.042 -7.030 -9.869 1.00 0.00 O ATOM 1283 CB LYS A 78 7.585 -5.330 -10.664 1.00 0.00 C ATOM 1284 CG LYS A 78 8.666 -5.051 -11.696 1.00 0.00 C ATOM 1285 CD LYS A 78 9.359 -3.723 -11.437 1.00 0.00 C ATOM 1286 CE LYS A 78 10.581 -3.896 -10.549 1.00 0.00 C ATOM 1287 NZ LYS A 78 11.844 -3.915 -11.337 1.00 0.00 N ATOM 0 H LYS A 78 5.963 -6.141 -8.980 1.00 0.00 H new ATOM 0 HA LYS A 78 7.651 -7.472 -10.852 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.608 -5.203 -11.130 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.657 -4.590 -9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.402 -5.855 -11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.225 -5.043 -12.693 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.657 -3.276 -12.385 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.660 -3.033 -10.965 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.619 -3.084 -9.822 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.491 -4.825 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.658 -3.898 -10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.880 -4.779 -11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.878 -3.081 -11.958 1.00 0.00 H new ATOM 1301 N PHE A 79 8.882 -6.840 -7.951 1.00 0.00 N ATOM 1302 CA PHE A 79 10.058 -6.969 -7.099 1.00 0.00 C ATOM 1303 C PHE A 79 10.256 -8.411 -6.637 1.00 0.00 C ATOM 1304 O PHE A 79 11.345 -8.786 -6.203 1.00 0.00 O ATOM 1305 CB PHE A 79 9.932 -6.049 -5.887 1.00 0.00 C ATOM 1306 CG PHE A 79 10.340 -4.631 -6.165 1.00 0.00 C ATOM 1307 CD1 PHE A 79 11.513 -4.354 -6.850 1.00 0.00 C ATOM 1308 CD2 PHE A 79 9.550 -3.575 -5.743 1.00 0.00 C ATOM 1309 CE1 PHE A 79 11.890 -3.049 -7.106 1.00 0.00 C ATOM 1310 CE2 PHE A 79 9.920 -2.270 -5.997 1.00 0.00 C ATOM 1311 CZ PHE A 79 11.092 -2.006 -6.680 1.00 0.00 C ATOM 0 H PHE A 79 8.006 -6.718 -7.444 1.00 0.00 H new ATOM 0 HA PHE A 79 10.929 -6.679 -7.686 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.899 -6.060 -5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.546 -6.443 -5.077 1.00 0.00 H new ATOM 0 HD1 PHE A 79 12.139 -5.167 -7.187 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.633 -3.775 -5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.807 -2.846 -7.638 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.294 -1.456 -5.662 1.00 0.00 H new ATOM 0 HZ PHE A 79 11.383 -0.985 -6.880 1.00 0.00 H new ATOM 1321 N SER A 80 9.200 -9.218 -6.732 1.00 0.00 N ATOM 1322 CA SER A 80 9.269 -10.617 -6.319 1.00 0.00 C ATOM 1323 C SER A 80 10.487 -11.305 -6.925 1.00 0.00 C ATOM 1324 O SER A 80 11.081 -12.193 -6.313 1.00 0.00 O ATOM 1325 CB SER A 80 7.994 -11.357 -6.728 1.00 0.00 C ATOM 1326 OG SER A 80 8.031 -12.710 -6.306 1.00 0.00 O ATOM 0 H SER A 80 8.290 -8.927 -7.090 1.00 0.00 H new ATOM 0 HA SER A 80 9.363 -10.643 -5.233 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.126 -10.861 -6.293 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.876 -11.314 -7.811 1.00 0.00 H new ATOM 0 HG SER A 80 7.204 -13.160 -6.578 1.00 0.00 H new ATOM 1332 N ASN A 81 10.859 -10.882 -8.127 1.00 0.00 N ATOM 1333 CA ASN A 81 12.013 -11.451 -8.808 1.00 0.00 C ATOM 1334 C ASN A 81 13.301 -10.888 -8.223 1.00 0.00 C ATOM 1335 O ASN A 81 13.648 -9.731 -8.460 1.00 0.00 O ATOM 1336 CB ASN A 81 11.946 -11.158 -10.308 1.00 0.00 C ATOM 1337 CG ASN A 81 12.570 -12.260 -11.141 1.00 0.00 C ATOM 1338 OD1 ASN A 81 12.214 -13.430 -11.010 1.00 0.00 O ATOM 1339 ND2 ASN A 81 13.510 -11.888 -12.003 1.00 0.00 N ATOM 0 H ASN A 81 10.379 -10.149 -8.648 1.00 0.00 H new ATOM 0 HA ASN A 81 12.002 -12.531 -8.662 1.00 0.00 H new ATOM 0 HB2 ASN A 81 10.905 -11.028 -10.604 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.456 -10.217 -10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 81 13.968 -12.585 -12.590 1.00 0.00 H new ATOM 0 HD22 ASN A 81 13.773 -10.905 -12.078 1.00 0.00 H new ATOM 1346 N ARG A 82 14.006 -11.709 -7.450 1.00 0.00 N ATOM 1347 CA ARG A 82 15.256 -11.290 -6.823 1.00 0.00 C ATOM 1348 C ARG A 82 16.166 -10.588 -7.827 1.00 0.00 C ATOM 1349 O ARG A 82 16.928 -9.690 -7.468 1.00 0.00 O ATOM 1350 CB ARG A 82 15.976 -12.498 -6.221 1.00 0.00 C ATOM 1351 CG ARG A 82 16.392 -13.535 -7.252 1.00 0.00 C ATOM 1352 CD ARG A 82 16.127 -14.949 -6.758 1.00 0.00 C ATOM 1353 NE ARG A 82 17.130 -15.387 -5.789 1.00 0.00 N ATOM 1354 CZ ARG A 82 16.927 -16.356 -4.899 1.00 0.00 C ATOM 1355 NH1 ARG A 82 15.764 -16.995 -4.851 1.00 0.00 N ATOM 1356 NH2 ARG A 82 17.893 -16.689 -4.053 1.00 0.00 N ATOM 0 H ARG A 82 13.733 -12.670 -7.242 1.00 0.00 H new ATOM 0 HA ARG A 82 15.015 -10.584 -6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.861 -12.153 -5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.324 -12.970 -5.486 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.848 -13.365 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.452 -13.420 -7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.138 -14.994 -6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.119 -15.634 -7.606 1.00 0.00 H new ATOM 0 HE ARG A 82 18.038 -14.923 -5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.017 -16.745 -5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.617 -17.736 -4.166 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.789 -16.203 -4.085 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.740 -17.431 -3.370 1.00 0.00 H new ATOM 1370 N SER A 83 16.076 -10.999 -9.088 1.00 0.00 N ATOM 1371 CA SER A 83 16.886 -10.403 -10.142 1.00 0.00 C ATOM 1372 C SER A 83 16.566 -8.919 -10.286 1.00 0.00 C ATOM 1373 O SER A 83 17.435 -8.116 -10.625 1.00 0.00 O ATOM 1374 CB SER A 83 16.644 -11.121 -11.471 1.00 0.00 C ATOM 1375 OG SER A 83 17.715 -10.901 -12.372 1.00 0.00 O ATOM 0 H SER A 83 15.451 -11.741 -9.403 1.00 0.00 H new ATOM 0 HA SER A 83 17.936 -10.511 -9.870 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.527 -12.190 -11.294 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.713 -10.768 -11.915 1.00 0.00 H new ATOM 0 HG SER A 83 17.537 -11.372 -13.213 1.00 0.00 H new ATOM 1381 N ASN A 84 15.312 -8.565 -10.018 1.00 0.00 N ATOM 1382 CA ASN A 84 14.869 -7.180 -10.109 1.00 0.00 C ATOM 1383 C ASN A 84 15.316 -6.386 -8.886 1.00 0.00 C ATOM 1384 O ASN A 84 15.820 -5.270 -9.008 1.00 0.00 O ATOM 1385 CB ASN A 84 13.346 -7.118 -10.242 1.00 0.00 C ATOM 1386 CG ASN A 84 12.875 -7.418 -11.652 1.00 0.00 C ATOM 1387 OD1 ASN A 84 13.529 -7.053 -12.627 1.00 0.00 O ATOM 1388 ND2 ASN A 84 11.732 -8.085 -11.765 1.00 0.00 N ATOM 0 H ASN A 84 14.584 -9.221 -9.735 1.00 0.00 H new ATOM 0 HA ASN A 84 15.323 -6.736 -10.995 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.895 -7.831 -9.552 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.999 -6.127 -9.949 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.364 -8.314 -12.688 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.222 -8.368 -10.928 1.00 0.00 H new ATOM 1395 N ILE A 85 15.129 -6.971 -7.707 1.00 0.00 N ATOM 1396 CA ILE A 85 15.514 -6.323 -6.458 1.00 0.00 C ATOM 1397 C ILE A 85 17.000 -5.978 -6.456 1.00 0.00 C ATOM 1398 O ILE A 85 17.377 -4.806 -6.431 1.00 0.00 O ATOM 1399 CB ILE A 85 15.199 -7.226 -5.244 1.00 0.00 C ATOM 1400 CG1 ILE A 85 13.681 -7.382 -5.081 1.00 0.00 C ATOM 1401 CG2 ILE A 85 15.836 -6.676 -3.971 1.00 0.00 C ATOM 1402 CD1 ILE A 85 13.011 -6.249 -4.325 1.00 0.00 C ATOM 0 H ILE A 85 14.712 -7.895 -7.590 1.00 0.00 H new ATOM 0 HA ILE A 85 14.934 -5.404 -6.379 1.00 0.00 H new ATOM 0 HB ILE A 85 15.629 -8.211 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.228 -7.461 -6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.478 -8.319 -4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.598 -7.331 -3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 85 16.918 -6.627 -4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.448 -5.677 -3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.940 -6.441 -4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.433 -6.181 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.179 -5.310 -4.853 1.00 0.00 H new ATOM 1414 N CYS A 86 17.835 -7.010 -6.474 1.00 0.00 N ATOM 1415 CA CYS A 86 19.287 -6.835 -6.468 1.00 0.00 C ATOM 1416 C CYS A 86 19.729 -5.761 -7.460 1.00 0.00 C ATOM 1417 O CYS A 86 20.689 -5.034 -7.209 1.00 0.00 O ATOM 1418 CB CYS A 86 19.979 -8.160 -6.792 1.00 0.00 C ATOM 1419 SG CYS A 86 21.458 -8.480 -5.803 1.00 0.00 S ATOM 0 H CYS A 86 17.531 -7.984 -6.493 1.00 0.00 H new ATOM 0 HA CYS A 86 19.577 -6.509 -5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 86 19.270 -8.974 -6.641 1.00 0.00 H new ATOM 0 HB3 CYS A 86 20.252 -8.167 -7.847 1.00 0.00 H new ATOM 0 HG CYS A 86 21.971 -9.624 -6.148 1.00 0.00 H new ATOM 1425 N ARG A 87 19.030 -5.669 -8.587 1.00 0.00 N ATOM 1426 CA ARG A 87 19.369 -4.681 -9.607 1.00 0.00 C ATOM 1427 C ARG A 87 18.671 -3.347 -9.343 1.00 0.00 C ATOM 1428 O ARG A 87 19.112 -2.305 -9.826 1.00 0.00 O ATOM 1429 CB ARG A 87 19.019 -5.207 -11.007 1.00 0.00 C ATOM 1430 CG ARG A 87 17.544 -5.090 -11.377 1.00 0.00 C ATOM 1431 CD ARG A 87 17.359 -4.460 -12.750 1.00 0.00 C ATOM 1432 NE ARG A 87 16.428 -5.221 -13.580 1.00 0.00 N ATOM 1433 CZ ARG A 87 16.086 -4.874 -14.819 1.00 0.00 C ATOM 1434 NH1 ARG A 87 16.594 -3.780 -15.375 1.00 0.00 N ATOM 1435 NH2 ARG A 87 15.233 -5.623 -15.506 1.00 0.00 N ATOM 0 H ARG A 87 18.232 -6.261 -8.817 1.00 0.00 H new ATOM 0 HA ARG A 87 20.444 -4.509 -9.560 1.00 0.00 H new ATOM 0 HB2 ARG A 87 19.610 -4.662 -11.744 1.00 0.00 H new ATOM 0 HB3 ARG A 87 19.315 -6.254 -11.072 1.00 0.00 H new ATOM 0 HG2 ARG A 87 17.086 -6.079 -11.365 1.00 0.00 H new ATOM 0 HG3 ARG A 87 17.027 -4.490 -10.628 1.00 0.00 H new ATOM 0 HD2 ARG A 87 16.992 -3.440 -12.635 1.00 0.00 H new ATOM 0 HD3 ARG A 87 18.324 -4.396 -13.253 1.00 0.00 H new ATOM 0 HE ARG A 87 16.016 -6.067 -13.187 1.00 0.00 H new ATOM 0 HH11 ARG A 87 17.250 -3.200 -14.852 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.328 -3.520 -16.325 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.839 -6.464 -15.085 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.971 -5.357 -16.455 1.00 0.00 H new ATOM 1449 N PHE A 88 17.584 -3.380 -8.575 1.00 0.00 N ATOM 1450 CA PHE A 88 16.846 -2.166 -8.259 1.00 0.00 C ATOM 1451 C PHE A 88 17.572 -1.366 -7.179 1.00 0.00 C ATOM 1452 O PHE A 88 17.612 -0.137 -7.226 1.00 0.00 O ATOM 1453 CB PHE A 88 15.417 -2.516 -7.813 1.00 0.00 C ATOM 1454 CG PHE A 88 15.005 -1.876 -6.517 1.00 0.00 C ATOM 1455 CD1 PHE A 88 14.859 -0.502 -6.427 1.00 0.00 C ATOM 1456 CD2 PHE A 88 14.782 -2.646 -5.389 1.00 0.00 C ATOM 1457 CE1 PHE A 88 14.495 0.092 -5.236 1.00 0.00 C ATOM 1458 CE2 PHE A 88 14.421 -2.062 -4.199 1.00 0.00 C ATOM 1459 CZ PHE A 88 14.276 -0.689 -4.119 1.00 0.00 C ATOM 0 H PHE A 88 17.199 -4.230 -8.164 1.00 0.00 H new ATOM 0 HA PHE A 88 16.785 -1.548 -9.155 1.00 0.00 H new ATOM 0 HB2 PHE A 88 14.720 -2.212 -8.594 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.333 -3.598 -7.714 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.032 0.112 -7.299 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.893 -3.719 -5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.382 1.164 -5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 88 14.251 -2.675 -3.326 1.00 0.00 H new ATOM 0 HZ PHE A 88 13.992 -0.229 -3.184 1.00 0.00 H new ATOM 1469 N LEU A 89 18.138 -2.070 -6.204 1.00 0.00 N ATOM 1470 CA LEU A 89 18.853 -1.421 -5.112 1.00 0.00 C ATOM 1471 C LEU A 89 20.069 -0.659 -5.628 1.00 0.00 C ATOM 1472 O LEU A 89 20.143 0.564 -5.513 1.00 0.00 O ATOM 1473 CB LEU A 89 19.299 -2.454 -4.074 1.00 0.00 C ATOM 1474 CG LEU A 89 18.206 -3.403 -3.574 1.00 0.00 C ATOM 1475 CD1 LEU A 89 18.766 -4.344 -2.520 1.00 0.00 C ATOM 1476 CD2 LEU A 89 17.027 -2.622 -3.013 1.00 0.00 C ATOM 0 H LEU A 89 18.115 -3.088 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 89 18.170 -0.712 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 89 20.104 -3.050 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.716 -1.925 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 89 17.853 -3.994 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.978 -5.013 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.577 -4.931 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 89 19.145 -3.764 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.263 -3.317 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.363 -2.004 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.609 -1.985 -3.792 1.00 0.00 H new ATOM 1488 N THR A 90 21.023 -1.391 -6.196 1.00 0.00 N ATOM 1489 CA THR A 90 22.240 -0.785 -6.729 1.00 0.00 C ATOM 1490 C THR A 90 21.910 0.279 -7.771 1.00 0.00 C ATOM 1491 O THR A 90 22.431 1.394 -7.720 1.00 0.00 O ATOM 1492 CB THR A 90 23.140 -1.857 -7.345 1.00 0.00 C ATOM 1493 OG1 THR A 90 24.293 -1.271 -7.926 1.00 0.00 O ATOM 1494 CG2 THR A 90 22.453 -2.675 -8.418 1.00 0.00 C ATOM 0 H THR A 90 20.977 -2.405 -6.299 1.00 0.00 H new ATOM 0 HA THR A 90 22.768 -0.306 -5.904 1.00 0.00 H new ATOM 0 HB THR A 90 23.404 -2.519 -6.520 1.00 0.00 H new ATOM 0 HG1 THR A 90 24.857 -1.973 -8.313 1.00 0.00 H new ATOM 0 HG21 THR A 90 23.149 -3.416 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.587 -3.181 -7.991 1.00 0.00 H new ATOM 0 HG23 THR A 90 22.128 -2.018 -9.225 1.00 0.00 H new ATOM 1502 N ALA A 91 21.041 -0.071 -8.712 1.00 0.00 N ATOM 1503 CA ALA A 91 20.640 0.853 -9.764 1.00 0.00 C ATOM 1504 C ALA A 91 19.793 1.990 -9.203 1.00 0.00 C ATOM 1505 O ALA A 91 19.731 3.075 -9.783 1.00 0.00 O ATOM 1506 CB ALA A 91 19.875 0.113 -10.850 1.00 0.00 C ATOM 0 H ALA A 91 20.601 -0.989 -8.767 1.00 0.00 H new ATOM 0 HA ALA A 91 21.542 1.285 -10.197 1.00 0.00 H new ATOM 0 HB1 ALA A 91 19.581 0.815 -11.630 1.00 0.00 H new ATOM 0 HB2 ALA A 91 20.510 -0.662 -11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 91 18.985 -0.345 -10.420 1.00 0.00 H new ATOM 1512 N SER A 92 19.137 1.734 -8.075 1.00 0.00 N ATOM 1513 CA SER A 92 18.289 2.736 -7.442 1.00 0.00 C ATOM 1514 C SER A 92 17.155 3.146 -8.376 1.00 0.00 C ATOM 1515 O SER A 92 17.138 4.262 -8.897 1.00 0.00 O ATOM 1516 CB SER A 92 19.115 3.963 -7.050 1.00 0.00 C ATOM 1517 OG SER A 92 19.542 3.880 -5.701 1.00 0.00 O ATOM 0 H SER A 92 19.177 0.842 -7.582 1.00 0.00 H new ATOM 0 HA SER A 92 17.858 2.299 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.982 4.046 -7.705 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.521 4.866 -7.192 1.00 0.00 H new ATOM 0 HG SER A 92 20.069 4.675 -5.475 1.00 0.00 H new ATOM 1523 N GLN A 93 16.211 2.233 -8.590 1.00 0.00 N ATOM 1524 CA GLN A 93 15.077 2.499 -9.468 1.00 0.00 C ATOM 1525 C GLN A 93 14.350 3.774 -9.051 1.00 0.00 C ATOM 1526 O GLN A 93 14.142 4.672 -9.866 1.00 0.00 O ATOM 1527 CB GLN A 93 14.106 1.317 -9.450 1.00 0.00 C ATOM 1528 CG GLN A 93 13.047 1.383 -10.538 1.00 0.00 C ATOM 1529 CD GLN A 93 12.560 0.010 -10.962 1.00 0.00 C ATOM 1530 OE1 GLN A 93 11.842 -0.662 -10.222 1.00 0.00 O ATOM 1531 NE2 GLN A 93 12.952 -0.412 -12.158 1.00 0.00 N ATOM 0 H GLN A 93 16.210 1.304 -8.168 1.00 0.00 H new ATOM 0 HA GLN A 93 15.458 2.635 -10.480 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.671 0.392 -9.560 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.614 1.276 -8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.201 1.970 -10.181 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.454 1.904 -11.405 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.548 0.179 -12.738 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.658 -1.328 -12.497 1.00 0.00 H new ATOM 1540 N ASP A 94 13.966 3.848 -7.781 1.00 0.00 N ATOM 1541 CA ASP A 94 13.266 5.015 -7.268 1.00 0.00 C ATOM 1542 C ASP A 94 13.738 5.371 -5.860 1.00 0.00 C ATOM 1543 O ASP A 94 13.094 6.159 -5.167 1.00 0.00 O ATOM 1544 CB ASP A 94 11.764 4.741 -7.258 1.00 0.00 C ATOM 1545 CG ASP A 94 11.049 5.387 -8.429 1.00 0.00 C ATOM 1546 OD1 ASP A 94 10.922 6.630 -8.435 1.00 0.00 O ATOM 1547 OD2 ASP A 94 10.616 4.650 -9.339 1.00 0.00 O ATOM 0 H ASP A 94 14.128 3.114 -7.091 1.00 0.00 H new ATOM 0 HA ASP A 94 13.485 5.861 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.594 3.665 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.336 5.111 -6.326 1.00 0.00 H new ATOM 1552 N LYS A 95 14.856 4.775 -5.434 1.00 0.00 N ATOM 1553 CA LYS A 95 15.409 5.011 -4.101 1.00 0.00 C ATOM 1554 C LYS A 95 14.710 4.134 -3.065 1.00 0.00 C ATOM 1555 O LYS A 95 15.236 3.906 -1.976 1.00 0.00 O ATOM 1556 CB LYS A 95 15.298 6.489 -3.706 1.00 0.00 C ATOM 1557 CG LYS A 95 15.618 7.451 -4.841 1.00 0.00 C ATOM 1558 CD LYS A 95 16.868 8.267 -4.550 1.00 0.00 C ATOM 1559 CE LYS A 95 18.096 7.667 -5.218 1.00 0.00 C ATOM 1560 NZ LYS A 95 19.109 7.222 -4.221 1.00 0.00 N ATOM 0 H LYS A 95 15.398 4.121 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 95 16.466 4.746 -4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.287 6.686 -3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 95 15.974 6.685 -2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 95 15.756 6.890 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 95 14.774 8.122 -4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.726 9.289 -4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.027 8.318 -3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.796 6.819 -5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 95 18.543 8.404 -5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 19.930 6.819 -4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 19.414 8.035 -3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 18.691 6.500 -3.600 1.00 0.00 H new ATOM 1574 N ILE A 96 13.523 3.637 -3.416 1.00 0.00 N ATOM 1575 CA ILE A 96 12.745 2.779 -2.535 1.00 0.00 C ATOM 1576 C ILE A 96 11.777 1.925 -3.346 1.00 0.00 C ATOM 1577 O ILE A 96 11.194 2.388 -4.326 1.00 0.00 O ATOM 1578 CB ILE A 96 11.936 3.592 -1.509 1.00 0.00 C ATOM 1579 CG1 ILE A 96 12.778 4.733 -0.929 1.00 0.00 C ATOM 1580 CG2 ILE A 96 11.405 2.687 -0.405 1.00 0.00 C ATOM 1581 CD1 ILE A 96 12.058 5.539 0.126 1.00 0.00 C ATOM 0 H ILE A 96 13.079 3.820 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 96 13.455 2.147 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 96 11.083 4.036 -2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.690 4.318 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.081 5.397 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.836 3.281 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.758 1.924 -0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 96 12.240 2.207 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 96 12.714 6.329 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.161 5.983 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.779 4.887 0.954 1.00 0.00 H new ATOM 1593 N LEU A 97 11.622 0.676 -2.938 1.00 0.00 N ATOM 1594 CA LEU A 97 10.739 -0.265 -3.621 1.00 0.00 C ATOM 1595 C LEU A 97 9.377 0.348 -3.967 1.00 0.00 C ATOM 1596 O LEU A 97 9.100 0.630 -5.133 1.00 0.00 O ATOM 1597 CB LEU A 97 10.560 -1.517 -2.759 1.00 0.00 C ATOM 1598 CG LEU A 97 11.862 -2.268 -2.473 1.00 0.00 C ATOM 1599 CD1 LEU A 97 12.153 -2.319 -0.988 1.00 0.00 C ATOM 1600 CD2 LEU A 97 11.838 -3.673 -3.057 1.00 0.00 C ATOM 0 H LEU A 97 12.101 0.284 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 97 11.210 -0.531 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.102 -1.231 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.865 -2.193 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 97 12.664 -1.714 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 97 13.084 -2.859 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 97 12.246 -1.304 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.338 -2.830 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.779 -4.176 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.013 -4.235 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.704 -3.616 -4.137 1.00 0.00 H new ATOM 1612 N PHE A 98 8.520 0.528 -2.964 1.00 0.00 N ATOM 1613 CA PHE A 98 7.182 1.076 -3.201 1.00 0.00 C ATOM 1614 C PHE A 98 7.004 2.481 -2.625 1.00 0.00 C ATOM 1615 O PHE A 98 5.914 2.835 -2.177 1.00 0.00 O ATOM 1616 CB PHE A 98 6.124 0.146 -2.608 1.00 0.00 C ATOM 1617 CG PHE A 98 6.283 -0.060 -1.133 1.00 0.00 C ATOM 1618 CD1 PHE A 98 7.183 -0.993 -0.650 1.00 0.00 C ATOM 1619 CD2 PHE A 98 5.536 0.679 -0.230 1.00 0.00 C ATOM 1620 CE1 PHE A 98 7.338 -1.187 0.706 1.00 0.00 C ATOM 1621 CE2 PHE A 98 5.687 0.489 1.130 1.00 0.00 C ATOM 1622 CZ PHE A 98 6.589 -0.445 1.599 1.00 0.00 C ATOM 0 H PHE A 98 8.723 0.306 -1.989 1.00 0.00 H new ATOM 0 HA PHE A 98 7.060 1.150 -4.282 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.134 0.558 -2.807 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.174 -0.820 -3.111 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.771 -1.576 -1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.829 1.410 -0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.044 -1.918 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.100 1.070 1.826 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.709 -0.595 2.662 1.00 0.00 H new ATOM 1632 N LYS A 99 8.061 3.287 -2.645 1.00 0.00 N ATOM 1633 CA LYS A 99 7.972 4.654 -2.128 1.00 0.00 C ATOM 1634 C LYS A 99 6.810 5.398 -2.770 1.00 0.00 C ATOM 1635 O LYS A 99 5.914 5.887 -2.082 1.00 0.00 O ATOM 1636 CB LYS A 99 9.265 5.433 -2.378 1.00 0.00 C ATOM 1637 CG LYS A 99 9.861 5.224 -3.763 1.00 0.00 C ATOM 1638 CD LYS A 99 9.680 6.455 -4.638 1.00 0.00 C ATOM 1639 CE LYS A 99 10.664 7.552 -4.265 1.00 0.00 C ATOM 1640 NZ LYS A 99 11.051 8.376 -5.444 1.00 0.00 N ATOM 0 H LYS A 99 8.978 3.025 -3.007 1.00 0.00 H new ATOM 0 HA LYS A 99 7.809 4.580 -1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.069 6.496 -2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.002 5.142 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.922 4.993 -3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.387 4.365 -4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.817 6.182 -5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.661 6.829 -4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.221 8.194 -3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.556 7.105 -3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.206 9.360 -5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.927 7.999 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.291 8.346 -6.153 1.00 0.00 H new ATOM 1654 N ASP A 100 6.836 5.481 -4.095 1.00 0.00 N ATOM 1655 CA ASP A 100 5.793 6.166 -4.843 1.00 0.00 C ATOM 1656 C ASP A 100 4.411 5.681 -4.425 1.00 0.00 C ATOM 1657 O ASP A 100 3.456 6.449 -4.411 1.00 0.00 O ATOM 1658 CB ASP A 100 5.988 5.952 -6.345 1.00 0.00 C ATOM 1659 CG ASP A 100 6.834 7.038 -6.981 1.00 0.00 C ATOM 1660 OD1 ASP A 100 7.561 7.733 -6.240 1.00 0.00 O ATOM 1661 OD2 ASP A 100 6.769 7.193 -8.218 1.00 0.00 O ATOM 0 H ASP A 100 7.573 5.079 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 100 5.865 7.231 -4.621 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.459 4.984 -6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.014 5.921 -6.834 1.00 0.00 H new ATOM 1666 N VAL A 101 4.315 4.401 -4.082 1.00 0.00 N ATOM 1667 CA VAL A 101 3.047 3.819 -3.663 1.00 0.00 C ATOM 1668 C VAL A 101 2.698 4.244 -2.257 1.00 0.00 C ATOM 1669 O VAL A 101 1.737 4.973 -2.049 1.00 0.00 O ATOM 1670 CB VAL A 101 3.077 2.292 -3.739 1.00 0.00 C ATOM 1671 CG1 VAL A 101 1.688 1.716 -3.516 1.00 0.00 C ATOM 1672 CG2 VAL A 101 3.633 1.877 -5.081 1.00 0.00 C ATOM 0 H VAL A 101 5.099 3.748 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 101 2.285 4.186 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 101 3.720 1.899 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.731 0.628 -3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.325 2.013 -2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.010 2.093 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.658 0.789 -5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.999 2.272 -5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.643 2.270 -5.194 1.00 0.00 H new ATOM 1682 N ASN A 102 3.495 3.824 -1.282 1.00 0.00 N ATOM 1683 CA ASN A 102 3.243 4.224 0.094 1.00 0.00 C ATOM 1684 C ASN A 102 3.045 5.738 0.137 1.00 0.00 C ATOM 1685 O ASN A 102 2.348 6.267 1.002 1.00 0.00 O ATOM 1686 CB ASN A 102 4.394 3.788 1.011 1.00 0.00 C ATOM 1687 CG ASN A 102 5.701 4.505 0.732 1.00 0.00 C ATOM 1688 OD1 ASN A 102 5.722 5.681 0.374 1.00 0.00 O ATOM 1689 ND2 ASN A 102 6.808 3.793 0.909 1.00 0.00 N ATOM 0 H ASN A 102 4.305 3.219 -1.415 1.00 0.00 H new ATOM 0 HA ASN A 102 2.341 3.733 0.458 1.00 0.00 H new ATOM 0 HB2 ASN A 102 4.107 3.964 2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.548 2.715 0.901 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.720 4.220 0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.746 2.819 1.207 1.00 0.00 H new ATOM 1696 N ARG A 103 3.645 6.419 -0.843 1.00 0.00 N ATOM 1697 CA ARG A 103 3.528 7.860 -0.972 1.00 0.00 C ATOM 1698 C ARG A 103 2.202 8.230 -1.631 1.00 0.00 C ATOM 1699 O ARG A 103 1.477 9.090 -1.127 1.00 0.00 O ATOM 1700 CB ARG A 103 4.685 8.419 -1.800 1.00 0.00 C ATOM 1701 CG ARG A 103 5.976 8.587 -1.014 1.00 0.00 C ATOM 1702 CD ARG A 103 7.147 8.907 -1.930 1.00 0.00 C ATOM 1703 NE ARG A 103 8.026 9.924 -1.359 1.00 0.00 N ATOM 1704 CZ ARG A 103 8.967 10.565 -2.050 1.00 0.00 C ATOM 1705 NH1 ARG A 103 9.154 10.296 -3.336 1.00 0.00 N ATOM 1706 NH2 ARG A 103 9.722 11.478 -1.454 1.00 0.00 N ATOM 0 H ARG A 103 4.221 5.982 -1.562 1.00 0.00 H new ATOM 0 HA ARG A 103 3.563 8.294 0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.869 7.756 -2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.392 9.385 -2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.856 9.386 -0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.186 7.673 -0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.719 7.998 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.770 9.252 -2.893 1.00 0.00 H new ATOM 0 HE ARG A 103 7.913 10.157 -0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.576 9.595 -3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.876 10.790 -3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.582 11.690 -0.466 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.443 11.969 -1.984 1.00 0.00 H new ATOM 1720 N LYS A 104 1.866 7.577 -2.753 1.00 0.00 N ATOM 1721 CA LYS A 104 0.609 7.873 -3.422 1.00 0.00 C ATOM 1722 C LYS A 104 -0.520 7.165 -2.690 1.00 0.00 C ATOM 1723 O LYS A 104 -1.514 7.780 -2.308 1.00 0.00 O ATOM 1724 CB LYS A 104 0.693 7.468 -4.908 1.00 0.00 C ATOM 1725 CG LYS A 104 -0.388 6.509 -5.400 1.00 0.00 C ATOM 1726 CD LYS A 104 0.207 5.269 -6.057 1.00 0.00 C ATOM 1727 CE LYS A 104 1.314 5.619 -7.043 1.00 0.00 C ATOM 1728 NZ LYS A 104 1.013 5.126 -8.415 1.00 0.00 N ATOM 0 H LYS A 104 2.436 6.860 -3.201 1.00 0.00 H new ATOM 0 HA LYS A 104 0.407 8.944 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.652 8.373 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.666 7.010 -5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.016 6.209 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.032 7.024 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.603 4.606 -5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.580 4.721 -6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.449 6.700 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.255 5.188 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.885 5.121 -8.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.630 4.161 -8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.313 5.752 -8.863 1.00 0.00 H new ATOM 1742 N LEU A 105 -0.330 5.869 -2.480 1.00 0.00 N ATOM 1743 CA LEU A 105 -1.288 5.034 -1.776 1.00 0.00 C ATOM 1744 C LEU A 105 -1.717 5.679 -0.457 1.00 0.00 C ATOM 1745 O LEU A 105 -2.873 5.561 -0.046 1.00 0.00 O ATOM 1746 CB LEU A 105 -0.667 3.660 -1.519 1.00 0.00 C ATOM 1747 CG LEU A 105 -1.633 2.586 -1.026 1.00 0.00 C ATOM 1748 CD1 LEU A 105 -1.060 1.201 -1.267 1.00 0.00 C ATOM 1749 CD2 LEU A 105 -1.926 2.788 0.446 1.00 0.00 C ATOM 0 H LEU A 105 0.499 5.367 -2.796 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.178 4.923 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.203 3.311 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.130 3.772 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.565 2.672 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.763 0.449 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.889 1.059 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.116 1.099 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.616 2.017 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.998 2.723 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.375 3.770 0.596 1.00 0.00 H new ATOM 1761 N SER A 106 -0.785 6.370 0.200 1.00 0.00 N ATOM 1762 CA SER A 106 -1.083 7.035 1.464 1.00 0.00 C ATOM 1763 C SER A 106 -2.061 8.182 1.247 1.00 0.00 C ATOM 1764 O SER A 106 -3.118 8.241 1.876 1.00 0.00 O ATOM 1765 CB SER A 106 0.199 7.572 2.107 1.00 0.00 C ATOM 1766 OG SER A 106 0.966 8.315 1.176 1.00 0.00 O ATOM 0 H SER A 106 0.176 6.482 -0.122 1.00 0.00 H new ATOM 0 HA SER A 106 -1.535 6.301 2.131 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.055 8.203 2.959 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.792 6.742 2.491 1.00 0.00 H new ATOM 0 HG SER A 106 1.748 7.791 0.904 1.00 0.00 H new ATOM 1772 N ASP A 107 -1.697 9.092 0.352 1.00 0.00 N ATOM 1773 CA ASP A 107 -2.533 10.245 0.042 1.00 0.00 C ATOM 1774 C ASP A 107 -3.941 9.821 -0.357 1.00 0.00 C ATOM 1775 O ASP A 107 -4.905 10.556 -0.144 1.00 0.00 O ATOM 1776 CB ASP A 107 -1.908 11.052 -1.091 1.00 0.00 C ATOM 1777 CG ASP A 107 -0.849 12.020 -0.600 1.00 0.00 C ATOM 1778 OD1 ASP A 107 -1.114 12.743 0.383 1.00 0.00 O ATOM 1779 OD2 ASP A 107 0.246 12.056 -1.201 1.00 0.00 O ATOM 0 H ASP A 107 -0.824 9.053 -0.174 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.600 10.858 0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.464 10.370 -1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.689 11.606 -1.611 1.00 0.00 H new ATOM 1784 N VAL A 108 -4.054 8.634 -0.943 1.00 0.00 N ATOM 1785 CA VAL A 108 -5.345 8.123 -1.374 1.00 0.00 C ATOM 1786 C VAL A 108 -6.260 7.903 -0.186 1.00 0.00 C ATOM 1787 O VAL A 108 -7.415 8.329 -0.195 1.00 0.00 O ATOM 1788 CB VAL A 108 -5.213 6.797 -2.141 1.00 0.00 C ATOM 1789 CG1 VAL A 108 -6.427 6.569 -3.020 1.00 0.00 C ATOM 1790 CG2 VAL A 108 -3.944 6.772 -2.967 1.00 0.00 C ATOM 0 H VAL A 108 -3.268 8.011 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.769 8.875 -2.040 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.156 5.988 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.317 5.626 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.323 6.532 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.515 7.385 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.875 5.823 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.962 7.591 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.081 6.884 -2.311 1.00 0.00 H new ATOM 1800 N TRP A 109 -5.744 7.239 0.844 1.00 0.00 N ATOM 1801 CA TRP A 109 -6.548 6.987 2.033 1.00 0.00 C ATOM 1802 C TRP A 109 -6.998 8.307 2.645 1.00 0.00 C ATOM 1803 O TRP A 109 -8.054 8.387 3.267 1.00 0.00 O ATOM 1804 CB TRP A 109 -5.799 6.154 3.082 1.00 0.00 C ATOM 1805 CG TRP A 109 -6.623 5.939 4.321 1.00 0.00 C ATOM 1806 CD1 TRP A 109 -6.231 6.104 5.618 1.00 0.00 C ATOM 1807 CD2 TRP A 109 -7.997 5.542 4.366 1.00 0.00 C ATOM 1808 NE1 TRP A 109 -7.283 5.840 6.468 1.00 0.00 N ATOM 1809 CE2 TRP A 109 -8.380 5.492 5.719 1.00 0.00 C ATOM 1810 CE3 TRP A 109 -8.940 5.227 3.387 1.00 0.00 C ATOM 1811 CZ2 TRP A 109 -9.675 5.141 6.111 1.00 0.00 C ATOM 1812 CZ3 TRP A 109 -10.217 4.880 3.776 1.00 0.00 C ATOM 1813 CH2 TRP A 109 -10.575 4.842 5.126 1.00 0.00 C ATOM 0 H TRP A 109 -4.793 6.873 0.880 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.416 6.408 1.719 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.529 5.189 2.654 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.869 6.656 3.347 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -5.241 6.399 5.932 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.252 5.894 7.486 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.674 5.254 2.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -9.954 5.107 7.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -10.952 4.634 3.024 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -11.584 4.571 5.397 1.00 0.00 H new ATOM 1824 N LYS A 110 -6.195 9.345 2.445 1.00 0.00 N ATOM 1825 CA LYS A 110 -6.521 10.662 2.957 1.00 0.00 C ATOM 1826 C LYS A 110 -7.726 11.219 2.208 1.00 0.00 C ATOM 1827 O LYS A 110 -8.700 11.658 2.811 1.00 0.00 O ATOM 1828 CB LYS A 110 -5.319 11.593 2.794 1.00 0.00 C ATOM 1829 CG LYS A 110 -4.022 11.015 3.335 1.00 0.00 C ATOM 1830 CD LYS A 110 -2.977 12.097 3.554 1.00 0.00 C ATOM 1831 CE LYS A 110 -3.144 12.769 4.907 1.00 0.00 C ATOM 1832 NZ LYS A 110 -1.901 13.465 5.338 1.00 0.00 N ATOM 0 H LYS A 110 -5.315 9.296 1.932 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.766 10.588 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.190 11.824 1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.528 12.534 3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.217 10.500 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.636 10.271 2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.980 11.661 3.484 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.054 12.844 2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.963 13.486 4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.419 12.022 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.056 13.910 6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.125 12.777 5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.652 14.195 4.640 1.00 0.00 H new ATOM 1846 N GLU A 111 -7.644 11.173 0.883 1.00 0.00 N ATOM 1847 CA GLU A 111 -8.716 11.652 0.015 1.00 0.00 C ATOM 1848 C GLU A 111 -9.921 10.721 0.058 1.00 0.00 C ATOM 1849 O GLU A 111 -11.047 11.118 -0.241 1.00 0.00 O ATOM 1850 CB GLU A 111 -8.200 11.733 -1.417 1.00 0.00 C ATOM 1851 CG GLU A 111 -8.114 13.150 -1.959 1.00 0.00 C ATOM 1852 CD GLU A 111 -7.697 13.193 -3.417 1.00 0.00 C ATOM 1853 OE1 GLU A 111 -6.764 12.451 -3.790 1.00 0.00 O ATOM 1854 OE2 GLU A 111 -8.304 13.969 -4.185 1.00 0.00 O ATOM 0 H GLU A 111 -6.836 10.804 0.381 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.029 12.635 0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.212 11.276 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.854 11.146 -2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.083 13.637 -1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.400 13.720 -1.364 1.00 0.00 H new ATOM 1861 N LEU A 112 -9.663 9.476 0.419 1.00 0.00 N ATOM 1862 CA LEU A 112 -10.703 8.458 0.489 1.00 0.00 C ATOM 1863 C LEU A 112 -11.382 8.475 1.848 1.00 0.00 C ATOM 1864 O LEU A 112 -12.607 8.530 1.944 1.00 0.00 O ATOM 1865 CB LEU A 112 -10.101 7.077 0.212 1.00 0.00 C ATOM 1866 CG LEU A 112 -11.105 5.922 0.147 1.00 0.00 C ATOM 1867 CD1 LEU A 112 -12.265 6.262 -0.764 1.00 0.00 C ATOM 1868 CD2 LEU A 112 -10.429 4.657 -0.343 1.00 0.00 C ATOM 0 H LEU A 112 -8.733 9.141 0.671 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.455 8.676 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.560 7.119 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.369 6.856 0.989 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.487 5.758 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.963 5.425 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.776 7.148 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.893 6.458 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.157 3.847 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.019 4.826 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.623 4.387 0.340 1.00 0.00 H new ATOM 1880 N SER A 113 -10.575 8.441 2.898 1.00 0.00 N ATOM 1881 CA SER A 113 -11.096 8.466 4.258 1.00 0.00 C ATOM 1882 C SER A 113 -11.849 9.764 4.503 1.00 0.00 C ATOM 1883 O SER A 113 -12.969 9.760 5.012 1.00 0.00 O ATOM 1884 CB SER A 113 -9.960 8.326 5.272 1.00 0.00 C ATOM 1885 OG SER A 113 -9.296 9.562 5.472 1.00 0.00 O ATOM 0 H SER A 113 -9.558 8.396 2.835 1.00 0.00 H new ATOM 0 HA SER A 113 -11.779 7.626 4.381 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.358 7.966 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.247 7.580 4.922 1.00 0.00 H new ATOM 0 HG SER A 113 -8.604 9.676 4.788 1.00 0.00 H new ATOM 1891 N LEU A 114 -11.224 10.873 4.126 1.00 0.00 N ATOM 1892 CA LEU A 114 -11.831 12.184 4.293 1.00 0.00 C ATOM 1893 C LEU A 114 -13.148 12.261 3.530 1.00 0.00 C ATOM 1894 O LEU A 114 -14.152 12.743 4.054 1.00 0.00 O ATOM 1895 CB LEU A 114 -10.862 13.279 3.826 1.00 0.00 C ATOM 1896 CG LEU A 114 -10.964 13.681 2.351 1.00 0.00 C ATOM 1897 CD1 LEU A 114 -12.128 14.636 2.134 1.00 0.00 C ATOM 1898 CD2 LEU A 114 -9.660 14.311 1.888 1.00 0.00 C ATOM 0 H LEU A 114 -10.296 10.888 3.702 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.043 12.342 5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.027 14.167 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.844 12.943 4.021 1.00 0.00 H new ATOM 0 HG LEU A 114 -11.147 12.785 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -12.183 14.909 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.057 14.151 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -11.979 15.534 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.744 14.593 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -9.452 15.198 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -8.847 13.594 2.007 1.00 0.00 H new ATOM 1910 N LEU A 115 -13.140 11.774 2.291 1.00 0.00 N ATOM 1911 CA LEU A 115 -14.338 11.780 1.465 1.00 0.00 C ATOM 1912 C LEU A 115 -15.376 10.827 2.042 1.00 0.00 C ATOM 1913 O LEU A 115 -16.580 11.048 1.914 1.00 0.00 O ATOM 1914 CB LEU A 115 -13.997 11.384 0.027 1.00 0.00 C ATOM 1915 CG LEU A 115 -13.446 12.516 -0.840 1.00 0.00 C ATOM 1916 CD1 LEU A 115 -13.120 12.010 -2.236 1.00 0.00 C ATOM 1917 CD2 LEU A 115 -14.440 13.667 -0.907 1.00 0.00 C ATOM 0 H LEU A 115 -12.318 11.372 1.841 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.752 12.788 1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.265 10.576 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -14.894 10.987 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.526 12.882 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -12.729 12.830 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.373 11.219 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -14.024 11.617 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -14.032 14.464 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -15.377 13.314 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -14.624 14.048 0.098 1.00 0.00 H new ATOM 1929 N LEU A 116 -14.895 9.768 2.686 1.00 0.00 N ATOM 1930 CA LEU A 116 -15.773 8.783 3.297 1.00 0.00 C ATOM 1931 C LEU A 116 -16.536 9.401 4.459 1.00 0.00 C ATOM 1932 O LEU A 116 -17.742 9.195 4.605 1.00 0.00 O ATOM 1933 CB LEU A 116 -14.965 7.577 3.769 1.00 0.00 C ATOM 1934 CG LEU A 116 -14.700 6.533 2.686 1.00 0.00 C ATOM 1935 CD1 LEU A 116 -13.760 5.453 3.195 1.00 0.00 C ATOM 1936 CD2 LEU A 116 -16.012 5.929 2.217 1.00 0.00 C ATOM 0 H LEU A 116 -13.900 9.572 2.797 1.00 0.00 H new ATOM 0 HA LEU A 116 -16.494 8.448 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.010 7.926 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -15.494 7.101 4.594 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.218 7.022 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.586 4.721 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -12.812 5.904 3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.207 4.958 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -15.815 5.185 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.515 5.453 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -16.649 6.714 1.810 1.00 0.00 H new ATOM 1948 N GLN A 117 -15.831 10.180 5.273 1.00 0.00 N ATOM 1949 CA GLN A 117 -16.453 10.849 6.408 1.00 0.00 C ATOM 1950 C GLN A 117 -17.582 11.757 5.926 1.00 0.00 C ATOM 1951 O GLN A 117 -18.486 12.102 6.685 1.00 0.00 O ATOM 1952 CB GLN A 117 -15.417 11.674 7.175 1.00 0.00 C ATOM 1953 CG GLN A 117 -14.413 10.830 7.943 1.00 0.00 C ATOM 1954 CD GLN A 117 -13.007 11.392 7.869 1.00 0.00 C ATOM 1955 OE1 GLN A 117 -12.741 12.495 8.346 1.00 0.00 O ATOM 1956 NE2 GLN A 117 -12.099 10.632 7.270 1.00 0.00 N ATOM 0 H GLN A 117 -14.833 10.363 5.168 1.00 0.00 H new ATOM 0 HA GLN A 117 -16.863 10.091 7.075 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.881 12.312 6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -15.934 12.333 7.873 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -14.721 10.765 8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.417 9.815 7.546 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.365 9.724 6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.135 10.956 7.191 1.00 0.00 H new ATOM 1965 N VAL A 118 -17.513 12.144 4.653 1.00 0.00 N ATOM 1966 CA VAL A 118 -18.517 13.016 4.056 1.00 0.00 C ATOM 1967 C VAL A 118 -19.652 12.221 3.421 1.00 0.00 C ATOM 1968 O VAL A 118 -20.820 12.393 3.770 1.00 0.00 O ATOM 1969 CB VAL A 118 -17.901 13.909 2.967 1.00 0.00 C ATOM 1970 CG1 VAL A 118 -18.838 15.052 2.622 1.00 0.00 C ATOM 1971 CG2 VAL A 118 -16.540 14.426 3.398 1.00 0.00 C ATOM 0 H VAL A 118 -16.768 11.865 4.015 1.00 0.00 H new ATOM 0 HA VAL A 118 -18.909 13.628 4.869 1.00 0.00 H new ATOM 0 HB VAL A 118 -17.758 13.307 2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -18.385 15.673 1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -19.783 14.650 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -19.020 15.655 3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -16.124 15.055 2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -16.645 15.010 4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -15.872 13.584 3.580 1.00 0.00 H new ATOM 1981 N GLU A 119 -19.299 11.371 2.462 1.00 0.00 N ATOM 1982 CA GLU A 119 -20.287 10.570 1.744 1.00 0.00 C ATOM 1983 C GLU A 119 -20.838 9.428 2.596 1.00 0.00 C ATOM 1984 O GLU A 119 -22.049 9.220 2.652 1.00 0.00 O ATOM 1985 CB GLU A 119 -19.671 10.005 0.462 1.00 0.00 C ATOM 1986 CG GLU A 119 -19.019 11.061 -0.416 1.00 0.00 C ATOM 1987 CD GLU A 119 -19.960 12.202 -0.751 1.00 0.00 C ATOM 1988 OE1 GLU A 119 -20.914 11.977 -1.524 1.00 0.00 O ATOM 1989 OE2 GLU A 119 -19.742 13.321 -0.240 1.00 0.00 O ATOM 0 H GLU A 119 -18.336 11.218 2.163 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.120 11.229 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -18.926 9.254 0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.447 9.497 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.139 11.457 0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -18.673 10.597 -1.340 1.00 0.00 H new ATOM 1996 N GLN A 120 -19.951 8.682 3.242 1.00 0.00 N ATOM 1997 CA GLN A 120 -20.368 7.556 4.071 1.00 0.00 C ATOM 1998 C GLN A 120 -20.665 7.988 5.505 1.00 0.00 C ATOM 1999 O GLN A 120 -21.312 7.260 6.258 1.00 0.00 O ATOM 2000 CB GLN A 120 -19.294 6.468 4.058 1.00 0.00 C ATOM 2001 CG GLN A 120 -19.264 5.670 2.764 1.00 0.00 C ATOM 2002 CD GLN A 120 -19.022 4.193 2.996 1.00 0.00 C ATOM 2003 OE1 GLN A 120 -18.143 3.591 2.379 1.00 0.00 O ATOM 2004 NE2 GLN A 120 -19.804 3.601 3.889 1.00 0.00 N ATOM 0 H GLN A 120 -18.943 8.834 3.209 1.00 0.00 H new ATOM 0 HA GLN A 120 -21.291 7.157 3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -18.318 6.928 4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -19.465 5.788 4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -20.210 5.801 2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -18.482 6.065 2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -20.520 4.140 4.377 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -19.689 2.607 4.088 1.00 0.00 H new ATOM 2013 N ARG A 121 -20.198 9.175 5.879 1.00 0.00 N ATOM 2014 CA ARG A 121 -20.427 9.692 7.223 1.00 0.00 C ATOM 2015 C ARG A 121 -19.808 8.784 8.283 1.00 0.00 C ATOM 2016 O ARG A 121 -20.173 8.853 9.456 1.00 0.00 O ATOM 2017 CB ARG A 121 -21.927 9.846 7.484 1.00 0.00 C ATOM 2018 CG ARG A 121 -22.681 10.493 6.333 1.00 0.00 C ATOM 2019 CD ARG A 121 -24.120 10.798 6.714 1.00 0.00 C ATOM 2020 NE ARG A 121 -25.034 9.735 6.299 1.00 0.00 N ATOM 2021 CZ ARG A 121 -26.350 9.892 6.185 1.00 0.00 C ATOM 2022 NH1 ARG A 121 -26.912 11.064 6.453 1.00 0.00 N ATOM 2023 NH2 ARG A 121 -27.108 8.873 5.802 1.00 0.00 N ATOM 0 H ARG A 121 -19.661 9.795 5.273 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.946 10.668 7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.356 8.864 7.682 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.071 10.444 8.384 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.178 11.414 6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.665 9.831 5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -24.188 10.934 7.793 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.425 11.738 6.255 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.639 8.819 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -26.334 11.851 6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -27.922 11.178 6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -26.682 7.970 5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -28.117 8.993 5.714 1.00 0.00 H new ATOM 2037 N MET A 122 -18.871 7.934 7.870 1.00 0.00 N ATOM 2038 CA MET A 122 -18.215 7.023 8.799 1.00 0.00 C ATOM 2039 C MET A 122 -17.089 7.736 9.550 1.00 0.00 C ATOM 2040 O MET A 122 -16.233 8.373 8.938 1.00 0.00 O ATOM 2041 CB MET A 122 -17.674 5.797 8.052 1.00 0.00 C ATOM 2042 CG MET A 122 -16.440 6.071 7.201 1.00 0.00 C ATOM 2043 SD MET A 122 -14.999 5.124 7.739 1.00 0.00 S ATOM 2044 CE MET A 122 -13.818 5.522 6.449 1.00 0.00 C ATOM 0 H MET A 122 -18.552 7.858 6.904 1.00 0.00 H new ATOM 0 HA MET A 122 -18.951 6.686 9.529 1.00 0.00 H new ATOM 0 HB2 MET A 122 -17.434 5.021 8.779 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.462 5.401 7.411 1.00 0.00 H new ATOM 0 HG2 MET A 122 -16.660 5.831 6.161 1.00 0.00 H new ATOM 0 HG3 MET A 122 -16.206 7.135 7.240 1.00 0.00 H new ATOM 0 HE1 MET A 122 -12.809 5.509 6.862 1.00 0.00 H new ATOM 0 HE2 MET A 122 -13.892 4.786 5.648 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.034 6.514 6.051 1.00 0.00 H new ATOM 2054 N PRO A 123 -17.075 7.652 10.894 1.00 0.00 N ATOM 2055 CA PRO A 123 -16.044 8.304 11.708 1.00 0.00 C ATOM 2056 C PRO A 123 -14.663 7.714 11.465 1.00 0.00 C ATOM 2057 O PRO A 123 -14.471 6.501 11.542 1.00 0.00 O ATOM 2058 CB PRO A 123 -16.490 8.049 13.155 1.00 0.00 C ATOM 2059 CG PRO A 123 -17.911 7.606 13.061 1.00 0.00 C ATOM 2060 CD PRO A 123 -18.051 6.934 11.727 1.00 0.00 C ATOM 0 HA PRO A 123 -15.953 9.363 11.467 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.871 7.286 13.628 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -16.399 8.952 13.759 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -18.160 6.920 13.871 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -18.590 8.455 13.143 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.826 5.869 11.785 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -19.063 7.025 11.333 1.00 0.00 H new ATOM 2068 N VAL A 124 -13.706 8.581 11.158 1.00 0.00 N ATOM 2069 CA VAL A 124 -12.344 8.144 10.890 1.00 0.00 C ATOM 2070 C VAL A 124 -11.324 8.984 11.648 1.00 0.00 C ATOM 2071 O VAL A 124 -11.609 10.107 12.064 1.00 0.00 O ATOM 2072 CB VAL A 124 -12.024 8.225 9.389 1.00 0.00 C ATOM 2073 CG1 VAL A 124 -10.699 7.547 9.083 1.00 0.00 C ATOM 2074 CG2 VAL A 124 -13.148 7.608 8.576 1.00 0.00 C ATOM 0 H VAL A 124 -13.849 9.589 11.089 1.00 0.00 H new ATOM 0 HA VAL A 124 -12.278 7.110 11.227 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.935 9.275 9.111 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.493 7.616 8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -9.901 8.039 9.639 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -10.751 6.498 9.375 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.907 7.673 7.515 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.269 6.562 8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.076 8.146 8.771 1.00 0.00 H new ATOM 2084 N SER A 125 -10.131 8.428 11.808 1.00 0.00 N ATOM 2085 CA SER A 125 -9.049 9.116 12.501 1.00 0.00 C ATOM 2086 C SER A 125 -7.934 9.454 11.513 1.00 0.00 C ATOM 2087 O SER A 125 -7.981 9.027 10.360 1.00 0.00 O ATOM 2088 CB SER A 125 -8.508 8.238 13.633 1.00 0.00 C ATOM 2089 OG SER A 125 -9.378 7.150 13.898 1.00 0.00 O ATOM 0 H SER A 125 -9.887 7.499 11.466 1.00 0.00 H new ATOM 0 HA SER A 125 -9.432 10.042 12.931 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.521 7.861 13.365 1.00 0.00 H new ATOM 0 HB3 SER A 125 -8.386 8.837 14.535 1.00 0.00 H new ATOM 0 HG SER A 125 -9.008 6.605 14.623 1.00 0.00 H new ATOM 2095 N PRO A 126 -6.914 10.222 11.940 1.00 0.00 N ATOM 2096 CA PRO A 126 -5.797 10.592 11.063 1.00 0.00 C ATOM 2097 C PRO A 126 -5.001 9.369 10.623 1.00 0.00 C ATOM 2098 O PRO A 126 -3.857 9.174 11.035 1.00 0.00 O ATOM 2099 CB PRO A 126 -4.938 11.517 11.932 1.00 0.00 C ATOM 2100 CG PRO A 126 -5.316 11.190 13.336 1.00 0.00 C ATOM 2101 CD PRO A 126 -6.762 10.784 13.294 1.00 0.00 C ATOM 0 HA PRO A 126 -6.135 11.066 10.142 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.875 11.346 11.760 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -5.133 12.565 11.705 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.696 10.384 13.729 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -5.172 12.051 13.989 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -6.996 10.049 14.064 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -7.424 11.635 13.454 1.00 0.00 H new ATOM 2109 N ILE A 127 -5.630 8.539 9.799 1.00 0.00 N ATOM 2110 CA ILE A 127 -5.012 7.316 9.306 1.00 0.00 C ATOM 2111 C ILE A 127 -4.410 6.501 10.443 1.00 0.00 C ATOM 2112 O ILE A 127 -3.196 6.511 10.652 1.00 0.00 O ATOM 2113 CB ILE A 127 -3.909 7.593 8.265 1.00 0.00 C ATOM 2114 CG1 ILE A 127 -4.406 8.570 7.196 1.00 0.00 C ATOM 2115 CG2 ILE A 127 -3.456 6.284 7.628 1.00 0.00 C ATOM 2116 CD1 ILE A 127 -3.388 8.839 6.107 1.00 0.00 C ATOM 0 H ILE A 127 -6.578 8.694 9.456 1.00 0.00 H new ATOM 0 HA ILE A 127 -5.812 6.751 8.828 1.00 0.00 H new ATOM 0 HB ILE A 127 -3.058 8.051 8.770 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -5.314 8.171 6.744 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -4.675 9.513 7.673 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -2.677 6.487 6.894 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -3.064 5.621 8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -4.303 5.807 7.135 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.806 9.539 5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.488 9.267 6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -3.137 7.905 5.605 1.00 0.00 H new ATOM 2128 N SER A 128 -5.259 5.778 11.167 1.00 0.00 N ATOM 2129 CA SER A 128 -4.794 4.939 12.267 1.00 0.00 C ATOM 2130 C SER A 128 -3.695 3.998 11.776 1.00 0.00 C ATOM 2131 O SER A 128 -2.876 3.514 12.557 1.00 0.00 O ATOM 2132 CB SER A 128 -5.956 4.135 12.851 1.00 0.00 C ATOM 2133 OG SER A 128 -6.017 4.277 14.260 1.00 0.00 O ATOM 0 H SER A 128 -6.267 5.756 11.013 1.00 0.00 H new ATOM 0 HA SER A 128 -4.388 5.579 13.050 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.894 4.470 12.408 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.840 3.082 12.593 1.00 0.00 H new ATOM 0 HG SER A 128 -6.769 3.755 14.609 1.00 0.00 H new ATOM 2139 N GLN A 129 -3.689 3.760 10.467 1.00 0.00 N ATOM 2140 CA GLN A 129 -2.703 2.895 9.838 1.00 0.00 C ATOM 2141 C GLN A 129 -1.308 3.521 9.895 1.00 0.00 C ATOM 2142 O GLN A 129 -0.308 2.849 9.644 1.00 0.00 O ATOM 2143 CB GLN A 129 -3.096 2.637 8.380 1.00 0.00 C ATOM 2144 CG GLN A 129 -4.406 1.880 8.221 1.00 0.00 C ATOM 2145 CD GLN A 129 -5.630 2.744 8.479 1.00 0.00 C ATOM 2146 OE1 GLN A 129 -5.999 2.988 9.628 1.00 0.00 O ATOM 2147 NE2 GLN A 129 -6.269 3.209 7.409 1.00 0.00 N ATOM 0 H GLN A 129 -4.366 4.161 9.817 1.00 0.00 H new ATOM 0 HA GLN A 129 -2.677 1.951 10.383 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -3.174 3.592 7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -2.300 2.073 7.893 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -4.463 1.472 7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -4.415 1.034 8.908 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -5.930 2.983 6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.098 3.792 7.523 1.00 0.00 H new ATOM 2156 N GLY A 130 -1.248 4.814 10.214 1.00 0.00 N ATOM 2157 CA GLY A 130 0.030 5.503 10.284 1.00 0.00 C ATOM 2158 C GLY A 130 0.636 5.704 8.912 1.00 0.00 C ATOM 2159 O GLY A 130 1.305 4.817 8.392 1.00 0.00 O ATOM 0 H GLY A 130 -2.060 5.394 10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -0.105 6.471 10.767 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.718 4.930 10.905 1.00 0.00 H new ATOM 2163 N ALA A 131 0.393 6.870 8.319 1.00 0.00 N ATOM 2164 CA ALA A 131 0.904 7.184 6.984 1.00 0.00 C ATOM 2165 C ALA A 131 2.409 7.465 6.971 1.00 0.00 C ATOM 2166 O ALA A 131 2.914 8.096 6.043 1.00 0.00 O ATOM 2167 CB ALA A 131 0.146 8.368 6.405 1.00 0.00 C ATOM 0 H ALA A 131 -0.157 7.617 8.743 1.00 0.00 H new ATOM 0 HA ALA A 131 0.744 6.300 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 131 0.532 8.596 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -0.914 8.123 6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 131 0.276 9.235 7.053 1.00 0.00 H new ATOM 2173 N SER A 132 3.126 6.996 7.989 1.00 0.00 N ATOM 2174 CA SER A 132 4.568 7.208 8.061 1.00 0.00 C ATOM 2175 C SER A 132 5.333 6.109 7.321 1.00 0.00 C ATOM 2176 O SER A 132 6.552 6.001 7.448 1.00 0.00 O ATOM 2177 CB SER A 132 5.020 7.252 9.519 1.00 0.00 C ATOM 2178 OG SER A 132 4.256 8.185 10.263 1.00 0.00 O ATOM 0 H SER A 132 2.735 6.470 8.770 1.00 0.00 H new ATOM 0 HA SER A 132 4.787 8.161 7.580 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.922 6.261 9.963 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.075 7.521 9.568 1.00 0.00 H new ATOM 0 HG SER A 132 4.564 8.192 11.193 1.00 0.00 H new ATOM 2184 N TRP A 133 4.615 5.292 6.550 1.00 0.00 N ATOM 2185 CA TRP A 133 5.238 4.201 5.799 1.00 0.00 C ATOM 2186 C TRP A 133 6.473 4.679 5.037 1.00 0.00 C ATOM 2187 O TRP A 133 7.522 4.035 5.064 1.00 0.00 O ATOM 2188 CB TRP A 133 4.259 3.583 4.791 1.00 0.00 C ATOM 2189 CG TRP A 133 2.822 3.576 5.220 1.00 0.00 C ATOM 2190 CD1 TRP A 133 2.328 3.296 6.461 1.00 0.00 C ATOM 2191 CD2 TRP A 133 1.687 3.846 4.390 1.00 0.00 C ATOM 2192 NE1 TRP A 133 0.953 3.381 6.451 1.00 0.00 N ATOM 2193 CE2 TRP A 133 0.539 3.716 5.191 1.00 0.00 C ATOM 2194 CE3 TRP A 133 1.532 4.189 3.045 1.00 0.00 C ATOM 2195 CZ2 TRP A 133 -0.746 3.915 4.691 1.00 0.00 C ATOM 2196 CZ3 TRP A 133 0.259 4.385 2.550 1.00 0.00 C ATOM 2197 CH2 TRP A 133 -0.866 4.248 3.369 1.00 0.00 C ATOM 0 H TRP A 133 3.605 5.364 6.429 1.00 0.00 H new ATOM 0 HA TRP A 133 5.530 3.451 6.534 1.00 0.00 H new ATOM 0 HB2 TRP A 133 4.338 4.128 3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.567 2.557 4.592 1.00 0.00 H new ATOM 0 HD1 TRP A 133 2.927 3.045 7.324 1.00 0.00 H new ATOM 0 HE1 TRP A 133 0.343 3.220 7.253 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.394 4.299 2.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.615 3.810 5.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 0.129 4.649 1.511 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -1.849 4.408 2.950 1.00 0.00 H new ATOM 2208 N ALA A 134 6.330 5.803 4.340 1.00 0.00 N ATOM 2209 CA ALA A 134 7.419 6.364 3.546 1.00 0.00 C ATOM 2210 C ALA A 134 8.672 6.589 4.383 1.00 0.00 C ATOM 2211 O ALA A 134 9.786 6.311 3.937 1.00 0.00 O ATOM 2212 CB ALA A 134 6.975 7.665 2.897 1.00 0.00 C ATOM 0 H ALA A 134 5.467 6.345 4.309 1.00 0.00 H new ATOM 0 HA ALA A 134 7.670 5.642 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 134 7.794 8.075 2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.120 7.475 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.691 8.379 3.670 1.00 0.00 H new ATOM 2218 N GLN A 135 8.487 7.100 5.592 1.00 0.00 N ATOM 2219 CA GLN A 135 9.608 7.368 6.487 1.00 0.00 C ATOM 2220 C GLN A 135 10.413 6.100 6.757 1.00 0.00 C ATOM 2221 O GLN A 135 11.644 6.115 6.726 1.00 0.00 O ATOM 2222 CB GLN A 135 9.105 7.957 7.806 1.00 0.00 C ATOM 2223 CG GLN A 135 8.534 9.361 7.665 1.00 0.00 C ATOM 2224 CD GLN A 135 9.273 10.379 8.512 1.00 0.00 C ATOM 2225 OE1 GLN A 135 8.884 10.661 9.646 1.00 0.00 O ATOM 2226 NE2 GLN A 135 10.346 10.939 7.963 1.00 0.00 N ATOM 0 H GLN A 135 7.573 7.338 5.977 1.00 0.00 H new ATOM 0 HA GLN A 135 10.262 8.090 5.998 1.00 0.00 H new ATOM 0 HB2 GLN A 135 8.338 7.301 8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 135 9.926 7.978 8.522 1.00 0.00 H new ATOM 0 HG2 GLN A 135 8.578 9.664 6.619 1.00 0.00 H new ATOM 0 HG3 GLN A 135 7.482 9.352 7.950 1.00 0.00 H new ATOM 0 HE21 GLN A 135 10.633 10.676 7.020 1.00 0.00 H new ATOM 0 HE22 GLN A 135 10.883 11.632 8.484 1.00 0.00 H new ATOM 2235 N GLU A 136 9.712 5.006 7.029 1.00 0.00 N ATOM 2236 CA GLU A 136 10.360 3.731 7.313 1.00 0.00 C ATOM 2237 C GLU A 136 10.838 3.047 6.036 1.00 0.00 C ATOM 2238 O GLU A 136 11.831 2.318 6.048 1.00 0.00 O ATOM 2239 CB GLU A 136 9.401 2.808 8.064 1.00 0.00 C ATOM 2240 CG GLU A 136 8.748 3.461 9.271 1.00 0.00 C ATOM 2241 CD GLU A 136 9.588 3.334 10.527 1.00 0.00 C ATOM 2242 OE1 GLU A 136 9.435 2.324 11.245 1.00 0.00 O ATOM 2243 OE2 GLU A 136 10.399 4.247 10.792 1.00 0.00 O ATOM 0 H GLU A 136 8.693 4.976 7.059 1.00 0.00 H new ATOM 0 HA GLU A 136 11.232 3.936 7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.623 2.471 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.944 1.921 8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 136 8.574 4.516 9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.773 3.006 9.443 1.00 0.00 H new ATOM 2250 N ASP A 137 10.126 3.274 4.937 1.00 0.00 N ATOM 2251 CA ASP A 137 10.482 2.666 3.663 1.00 0.00 C ATOM 2252 C ASP A 137 11.841 3.155 3.180 1.00 0.00 C ATOM 2253 O ASP A 137 12.665 2.367 2.720 1.00 0.00 O ATOM 2254 CB ASP A 137 9.413 2.966 2.613 1.00 0.00 C ATOM 2255 CG ASP A 137 8.654 1.723 2.198 1.00 0.00 C ATOM 2256 OD1 ASP A 137 8.469 0.830 3.053 1.00 0.00 O ATOM 2257 OD2 ASP A 137 8.246 1.640 1.021 1.00 0.00 O ATOM 0 H ASP A 137 9.301 3.873 4.904 1.00 0.00 H new ATOM 0 HA ASP A 137 10.542 1.588 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 137 8.713 3.702 3.009 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.882 3.413 1.736 1.00 0.00 H new ATOM 2262 N GLN A 138 12.071 4.459 3.284 1.00 0.00 N ATOM 2263 CA GLN A 138 13.336 5.036 2.851 1.00 0.00 C ATOM 2264 C GLN A 138 14.460 4.636 3.801 1.00 0.00 C ATOM 2265 O GLN A 138 15.594 4.419 3.376 1.00 0.00 O ATOM 2266 CB GLN A 138 13.226 6.560 2.735 1.00 0.00 C ATOM 2267 CG GLN A 138 13.354 7.298 4.054 1.00 0.00 C ATOM 2268 CD GLN A 138 14.634 8.108 4.153 1.00 0.00 C ATOM 2269 OE1 GLN A 138 14.650 9.193 4.736 1.00 0.00 O ATOM 2270 NE2 GLN A 138 15.717 7.585 3.585 1.00 0.00 N ATOM 0 H GLN A 138 11.403 5.131 3.661 1.00 0.00 H new ATOM 0 HA GLN A 138 13.574 4.643 1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 138 14.000 6.918 2.056 1.00 0.00 H new ATOM 0 HB3 GLN A 138 12.266 6.810 2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 138 12.499 7.962 4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 138 13.320 6.579 4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 138 15.660 6.683 3.112 1.00 0.00 H new ATOM 0 HE22 GLN A 138 16.605 8.086 3.622 1.00 0.00 H new ATOM 2279 N GLN A 139 14.135 4.520 5.085 1.00 0.00 N ATOM 2280 CA GLN A 139 15.120 4.121 6.078 1.00 0.00 C ATOM 2281 C GLN A 139 15.572 2.697 5.793 1.00 0.00 C ATOM 2282 O GLN A 139 16.754 2.369 5.903 1.00 0.00 O ATOM 2283 CB GLN A 139 14.533 4.218 7.488 1.00 0.00 C ATOM 2284 CG GLN A 139 14.543 5.629 8.054 1.00 0.00 C ATOM 2285 CD GLN A 139 14.646 5.650 9.566 1.00 0.00 C ATOM 2286 OE1 GLN A 139 13.635 5.624 10.269 1.00 0.00 O ATOM 2287 NE2 GLN A 139 15.871 5.697 10.077 1.00 0.00 N ATOM 0 H GLN A 139 13.202 4.696 5.458 1.00 0.00 H new ATOM 0 HA GLN A 139 15.977 4.792 6.021 1.00 0.00 H new ATOM 0 HB2 GLN A 139 13.508 3.849 7.472 1.00 0.00 H new ATOM 0 HB3 GLN A 139 15.097 3.564 8.153 1.00 0.00 H new ATOM 0 HG2 GLN A 139 15.381 6.181 7.629 1.00 0.00 H new ATOM 0 HG3 GLN A 139 13.633 6.146 7.748 1.00 0.00 H new ATOM 0 HE21 GLN A 139 16.681 5.717 9.458 1.00 0.00 H new ATOM 0 HE22 GLN A 139 16.001 5.713 11.089 1.00 0.00 H new ATOM 2296 N ASP A 140 14.615 1.863 5.402 1.00 0.00 N ATOM 2297 CA ASP A 140 14.894 0.474 5.070 1.00 0.00 C ATOM 2298 C ASP A 140 15.371 0.357 3.625 1.00 0.00 C ATOM 2299 O ASP A 140 16.022 -0.615 3.254 1.00 0.00 O ATOM 2300 CB ASP A 140 13.643 -0.381 5.274 1.00 0.00 C ATOM 2301 CG ASP A 140 13.972 -1.843 5.503 1.00 0.00 C ATOM 2302 OD1 ASP A 140 14.434 -2.181 6.613 1.00 0.00 O ATOM 2303 OD2 ASP A 140 13.768 -2.651 4.572 1.00 0.00 O ATOM 0 H ASP A 140 13.635 2.128 5.307 1.00 0.00 H new ATOM 0 HA ASP A 140 15.682 0.114 5.731 1.00 0.00 H new ATOM 0 HB2 ASP A 140 13.081 -0.000 6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 140 12.997 -0.289 4.401 1.00 0.00 H new ATOM 2308 N ALA A 141 15.047 1.366 2.817 1.00 0.00 N ATOM 2309 CA ALA A 141 15.448 1.395 1.418 1.00 0.00 C ATOM 2310 C ALA A 141 16.934 1.692 1.310 1.00 0.00 C ATOM 2311 O ALA A 141 17.704 0.887 0.786 1.00 0.00 O ATOM 2312 CB ALA A 141 14.641 2.434 0.649 1.00 0.00 C ATOM 0 H ALA A 141 14.504 2.177 3.113 1.00 0.00 H new ATOM 0 HA ALA A 141 15.251 0.417 0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 141 14.956 2.440 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 141 13.581 2.187 0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 141 14.808 3.419 1.084 1.00 0.00 H new ATOM 2318 N ASP A 142 17.336 2.846 1.835 1.00 0.00 N ATOM 2319 CA ASP A 142 18.737 3.238 1.821 1.00 0.00 C ATOM 2320 C ASP A 142 19.562 2.201 2.571 1.00 0.00 C ATOM 2321 O ASP A 142 20.718 1.945 2.234 1.00 0.00 O ATOM 2322 CB ASP A 142 18.915 4.617 2.459 1.00 0.00 C ATOM 2323 CG ASP A 142 18.563 5.743 1.507 1.00 0.00 C ATOM 2324 OD1 ASP A 142 17.479 5.682 0.891 1.00 0.00 O ATOM 2325 OD2 ASP A 142 19.372 6.686 1.378 1.00 0.00 O ATOM 0 H ASP A 142 16.711 3.523 2.274 1.00 0.00 H new ATOM 0 HA ASP A 142 19.080 3.293 0.788 1.00 0.00 H new ATOM 0 HB2 ASP A 142 18.288 4.687 3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 142 19.948 4.732 2.788 1.00 0.00 H new ATOM 2330 N GLU A 143 18.946 1.594 3.583 1.00 0.00 N ATOM 2331 CA GLU A 143 19.606 0.568 4.375 1.00 0.00 C ATOM 2332 C GLU A 143 19.596 -0.759 3.628 1.00 0.00 C ATOM 2333 O GLU A 143 20.547 -1.534 3.710 1.00 0.00 O ATOM 2334 CB GLU A 143 18.915 0.410 5.731 1.00 0.00 C ATOM 2335 CG GLU A 143 19.317 1.467 6.746 1.00 0.00 C ATOM 2336 CD GLU A 143 20.309 0.947 7.767 1.00 0.00 C ATOM 2337 OE1 GLU A 143 21.528 1.049 7.517 1.00 0.00 O ATOM 2338 OE2 GLU A 143 19.868 0.435 8.818 1.00 0.00 O ATOM 0 H GLU A 143 17.989 1.798 3.871 1.00 0.00 H new ATOM 0 HA GLU A 143 20.639 0.873 4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.835 0.450 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 143 19.146 -0.576 6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 143 19.751 2.320 6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 143 18.427 1.828 7.261 1.00 0.00 H new ATOM 2345 N ASP A 144 18.516 -1.015 2.889 1.00 0.00 N ATOM 2346 CA ASP A 144 18.399 -2.252 2.123 1.00 0.00 C ATOM 2347 C ASP A 144 19.516 -2.349 1.089 1.00 0.00 C ATOM 2348 O ASP A 144 20.307 -3.292 1.099 1.00 0.00 O ATOM 2349 CB ASP A 144 17.040 -2.331 1.424 1.00 0.00 C ATOM 2350 CG ASP A 144 16.031 -3.146 2.209 1.00 0.00 C ATOM 2351 OD1 ASP A 144 16.062 -3.086 3.456 1.00 0.00 O ATOM 2352 OD2 ASP A 144 15.212 -3.845 1.577 1.00 0.00 O ATOM 0 H ASP A 144 17.717 -0.387 2.806 1.00 0.00 H new ATOM 0 HA ASP A 144 18.485 -3.087 2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 144 16.652 -1.323 1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 144 17.168 -2.772 0.435 1.00 0.00 H new ATOM 2357 N ARG A 145 19.573 -1.365 0.198 1.00 0.00 N ATOM 2358 CA ARG A 145 20.592 -1.333 -0.845 1.00 0.00 C ATOM 2359 C ARG A 145 21.991 -1.376 -0.239 1.00 0.00 C ATOM 2360 O ARG A 145 22.874 -2.073 -0.736 1.00 0.00 O ATOM 2361 CB ARG A 145 20.433 -0.079 -1.705 1.00 0.00 C ATOM 2362 CG ARG A 145 20.313 1.201 -0.893 1.00 0.00 C ATOM 2363 CD ARG A 145 21.605 2.003 -0.919 1.00 0.00 C ATOM 2364 NE ARG A 145 22.019 2.330 -2.282 1.00 0.00 N ATOM 2365 CZ ARG A 145 23.098 3.052 -2.574 1.00 0.00 C ATOM 2366 NH1 ARG A 145 23.872 3.524 -1.605 1.00 0.00 N ATOM 2367 NH2 ARG A 145 23.404 3.303 -3.840 1.00 0.00 N ATOM 0 H ARG A 145 18.925 -0.578 0.177 1.00 0.00 H new ATOM 0 HA ARG A 145 20.461 -2.214 -1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 145 21.289 0.004 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 145 19.547 -0.187 -2.331 1.00 0.00 H new ATOM 0 HG2 ARG A 145 19.499 1.808 -1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 145 20.057 0.956 0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 145 21.472 2.923 -0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 145 22.394 1.435 -0.427 1.00 0.00 H new ATOM 0 HE ARG A 145 21.448 1.985 -3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 145 23.641 3.334 -0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 145 24.698 4.077 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 145 22.812 2.943 -4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 145 24.231 3.856 -4.065 1.00 0.00 H new