USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=31 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 3 ASN : amide:sc= -2.41 K(o=-5.6,f=-3.2!) USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 63 ASN : amide:sc= -3.23 K(o=-5.6,f=-3.2) USER MOD Set 2.1: A 21 MET CE :methyl -137:sc= -6.64! (180deg=-9.61!) USER MOD Set 2.2: A 24 CYS SG : rot -0:sc= -4.51! USER MOD Set 2.3: A 28 CYS SG : rot 100:sc= -1.48 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -162:sc= 1.07 (180deg=0) USER MOD Set 3.2: A 46 GLN : amide:sc= -9.38! C(o=-8.3!,f=-25!) USER MOD Single : A 6 HIS : no HD1:sc= -0.791 K(o=-0.79,f=-0.16) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.21! K(o=-4.2!,f=-1.3) USER MOD Single : A 15 HIS : no HE2:sc= -5.97! C(o=-6!,f=-8.2!) USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= -0.263 (180deg=-0.306) USER MOD Single : A 18 CYS SG : rot -26:sc= -3.63! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.098 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00276) USER MOD Single : A 27 GLN : amide:sc= -10.8! C(o=-11!,f=-16!) USER MOD Single : A 33 HIS : no HD1:sc= 0.00166 X(o=0.0017,f=-0.045) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -119:sc= -0.0693 USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= -0.0873 (180deg=-0.16) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 149:sc= -5.7 (180deg=-10.4!) USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= -0.174 (180deg=-0.194) USER MOD Single : A 73 ASN : amide:sc= -3.34 K(o=-3.3,f=-9.7!) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= -0.0797 (180deg=-0.0838) USER MOD Single : A 80 SER OG : rot -93:sc= 0.354 USER MOD Single : A 81 ASN : amide:sc= -0.0318 K(o=-0.032,f=-1.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.87 K(o=-2.9,f=-5.9!) USER MOD Single : A 86 CYS SG : rot 76:sc= 0.64 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -66:sc= 0.939 USER MOD Single : A 93 GLN : amide:sc= -0.0768 X(o=-0.077,f=-0.087) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 153:sc= 0.458 (180deg=0.169) USER MOD Single : A 102 ASN : amide:sc= -5.08! C(o=-5.1!,f=-11!) USER MOD Single : A 104 LYS NZ :NH3+ -156:sc= -0.137 (180deg=-0.902) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0272) USER MOD Single : A 113 SER OG : rot 180:sc= -0.214 USER MOD Single : A 117 GLN : amide:sc= -4.46! K(o=-4.5!,f=-2.7) USER MOD Single : A 120 GLN : amide:sc= -4.37! C(o=-4.4!,f=-5.5!) USER MOD Single : A 122 MET CE :methyl 139:sc= -6.46! (180deg=-10.9!) USER MOD Single : A 125 SER OG : rot 180:sc= -0.584 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -7.98! C(o=-8!,f=-19!) 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= -3.6! K(o=-3.6!,f=-0.9) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -18.006 -0.736 -5.898 1.00 0.00 N ATOM 21 CA GLU A 2 -17.396 -1.665 -6.842 1.00 0.00 C ATOM 22 C GLU A 2 -15.878 -1.672 -6.697 1.00 0.00 C ATOM 23 O GLU A 2 -15.222 -2.674 -6.984 1.00 0.00 O ATOM 24 CB GLU A 2 -17.781 -1.293 -8.276 1.00 0.00 C ATOM 25 CG GLU A 2 -19.167 -1.771 -8.677 1.00 0.00 C ATOM 26 CD GLU A 2 -20.020 -0.664 -9.267 1.00 0.00 C ATOM 27 OE1 GLU A 2 -19.715 -0.214 -10.390 1.00 0.00 O ATOM 28 OE2 GLU A 2 -20.994 -0.247 -8.604 1.00 0.00 O ATOM 0 HA GLU A 2 -17.768 -2.665 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.733 -0.210 -8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.047 -1.716 -8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.072 -2.578 -9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -19.671 -2.186 -7.804 1.00 0.00 H new ATOM 35 N ASN A 3 -15.323 -0.549 -6.253 1.00 0.00 N ATOM 36 CA ASN A 3 -13.883 -0.427 -6.071 1.00 0.00 C ATOM 37 C ASN A 3 -13.453 -1.008 -4.730 1.00 0.00 C ATOM 38 O ASN A 3 -12.361 -1.561 -4.603 1.00 0.00 O ATOM 39 CB ASN A 3 -13.471 1.041 -6.143 1.00 0.00 C ATOM 40 CG ASN A 3 -14.051 1.756 -7.343 1.00 0.00 C ATOM 41 OD1 ASN A 3 -14.668 1.141 -8.212 1.00 0.00 O ATOM 42 ND2 ASN A 3 -13.852 3.067 -7.393 1.00 0.00 N ATOM 0 H ASN A 3 -15.850 0.290 -6.013 1.00 0.00 H new ATOM 0 HA ASN A 3 -13.392 -0.986 -6.868 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.792 1.549 -5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.384 1.107 -6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.217 3.609 -8.176 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.334 3.533 -6.648 1.00 0.00 H new ATOM 49 N LEU A 4 -14.319 -0.874 -3.730 1.00 0.00 N ATOM 50 CA LEU A 4 -14.031 -1.377 -2.394 1.00 0.00 C ATOM 51 C LEU A 4 -13.621 -2.841 -2.446 1.00 0.00 C ATOM 52 O LEU A 4 -12.616 -3.238 -1.860 1.00 0.00 O ATOM 53 CB LEU A 4 -15.253 -1.206 -1.489 1.00 0.00 C ATOM 54 CG LEU A 4 -15.281 0.090 -0.679 1.00 0.00 C ATOM 55 CD1 LEU A 4 -16.714 0.507 -0.386 1.00 0.00 C ATOM 56 CD2 LEU A 4 -14.496 -0.074 0.613 1.00 0.00 C ATOM 0 H LEU A 4 -15.228 -0.420 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.202 -0.801 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.151 -1.251 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.296 -2.049 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.811 0.876 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.713 1.432 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.246 0.666 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.212 -0.277 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.526 0.858 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.938 -0.873 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.461 -0.324 0.381 1.00 0.00 H new ATOM 68 N LYS A 5 -14.399 -3.639 -3.159 1.00 0.00 N ATOM 69 CA LYS A 5 -14.106 -5.061 -3.289 1.00 0.00 C ATOM 70 C LYS A 5 -12.826 -5.279 -4.090 1.00 0.00 C ATOM 71 O LYS A 5 -12.203 -6.336 -4.004 1.00 0.00 O ATOM 72 CB LYS A 5 -15.274 -5.796 -3.950 1.00 0.00 C ATOM 73 CG LYS A 5 -16.636 -5.399 -3.403 1.00 0.00 C ATOM 74 CD LYS A 5 -16.714 -5.603 -1.899 1.00 0.00 C ATOM 75 CE LYS A 5 -18.153 -5.760 -1.433 1.00 0.00 C ATOM 76 NZ LYS A 5 -18.251 -6.600 -0.208 1.00 0.00 N ATOM 0 H LYS A 5 -15.235 -3.330 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.961 -5.467 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.253 -5.602 -5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.138 -6.869 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.834 -4.354 -3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.411 -5.989 -3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.141 -6.488 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.256 -4.754 -1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.580 -4.777 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.746 -6.209 -2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.229 -6.936 -0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.612 -7.416 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.981 -6.035 0.623 1.00 0.00 H new ATOM 90 N HIS A 6 -12.429 -4.268 -4.852 1.00 0.00 N ATOM 91 CA HIS A 6 -11.213 -4.347 -5.648 1.00 0.00 C ATOM 92 C HIS A 6 -10.024 -3.899 -4.810 1.00 0.00 C ATOM 93 O HIS A 6 -8.910 -4.403 -4.963 1.00 0.00 O ATOM 94 CB HIS A 6 -11.332 -3.484 -6.906 1.00 0.00 C ATOM 95 CG HIS A 6 -10.878 -4.182 -8.150 1.00 0.00 C ATOM 96 ND1 HIS A 6 -11.458 -5.344 -8.615 1.00 0.00 N ATOM 97 CD2 HIS A 6 -9.892 -3.880 -9.028 1.00 0.00 C ATOM 98 CE1 HIS A 6 -10.849 -5.726 -9.723 1.00 0.00 C ATOM 99 NE2 HIS A 6 -9.896 -4.853 -9.995 1.00 0.00 N ATOM 0 H HIS A 6 -12.932 -3.384 -4.935 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.063 -5.381 -5.960 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.370 -3.176 -7.029 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.744 -2.576 -6.772 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.226 -3.031 -8.976 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.089 -6.602 -10.307 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.265 -4.895 -10.795 1.00 0.00 H new ATOM 108 N ILE A 7 -10.280 -2.955 -3.911 1.00 0.00 N ATOM 109 CA ILE A 7 -9.252 -2.437 -3.025 1.00 0.00 C ATOM 110 C ILE A 7 -9.026 -3.396 -1.863 1.00 0.00 C ATOM 111 O ILE A 7 -7.891 -3.712 -1.520 1.00 0.00 O ATOM 112 CB ILE A 7 -9.639 -1.048 -2.479 1.00 0.00 C ATOM 113 CG1 ILE A 7 -9.514 -0.002 -3.589 1.00 0.00 C ATOM 114 CG2 ILE A 7 -8.764 -0.663 -1.288 1.00 0.00 C ATOM 115 CD1 ILE A 7 -10.831 0.597 -4.032 1.00 0.00 C ATOM 0 H ILE A 7 -11.199 -2.532 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.332 -2.340 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.673 -1.088 -2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.861 0.800 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.029 -0.460 -4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.059 0.321 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.889 -1.398 -0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.719 -0.637 -1.597 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.651 1.328 -4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.481 -0.192 -4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.311 1.087 -3.185 1.00 0.00 H new ATOM 127 N ILE A 8 -10.120 -3.856 -1.261 1.00 0.00 N ATOM 128 CA ILE A 8 -10.037 -4.782 -0.144 1.00 0.00 C ATOM 129 C ILE A 8 -9.370 -6.071 -0.586 1.00 0.00 C ATOM 130 O ILE A 8 -8.422 -6.546 0.039 1.00 0.00 O ATOM 131 CB ILE A 8 -11.433 -5.109 0.404 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.157 -3.826 0.815 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.346 -6.077 1.576 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.658 -3.983 0.908 1.00 0.00 C ATOM 0 H ILE A 8 -11.070 -3.601 -1.530 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.449 -4.307 0.641 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.006 -5.592 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.774 -3.496 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.926 -3.041 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.349 -6.292 1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.873 -7.003 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.753 -5.630 2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.105 -3.034 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.053 -4.283 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.899 -4.745 1.650 1.00 0.00 H new ATOM 146 N THR A 9 -9.872 -6.624 -1.681 1.00 0.00 N ATOM 147 CA THR A 9 -9.322 -7.855 -2.228 1.00 0.00 C ATOM 148 C THR A 9 -7.861 -7.642 -2.593 1.00 0.00 C ATOM 149 O THR A 9 -6.996 -8.446 -2.244 1.00 0.00 O ATOM 150 CB THR A 9 -10.120 -8.307 -3.454 1.00 0.00 C ATOM 151 OG1 THR A 9 -9.894 -9.681 -3.719 1.00 0.00 O ATOM 152 CG2 THR A 9 -9.777 -7.537 -4.709 1.00 0.00 C ATOM 0 H THR A 9 -10.657 -6.240 -2.207 1.00 0.00 H new ATOM 0 HA THR A 9 -9.392 -8.639 -1.474 1.00 0.00 H new ATOM 0 HB THR A 9 -11.164 -8.117 -3.205 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.413 -9.952 -4.505 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.378 -7.908 -5.539 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.985 -6.478 -4.555 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.720 -7.669 -4.939 1.00 0.00 H new ATOM 160 N LEU A 10 -7.591 -6.535 -3.281 1.00 0.00 N ATOM 161 CA LEU A 10 -6.233 -6.202 -3.667 1.00 0.00 C ATOM 162 C LEU A 10 -5.413 -5.911 -2.428 1.00 0.00 C ATOM 163 O LEU A 10 -4.220 -6.208 -2.374 1.00 0.00 O ATOM 164 CB LEU A 10 -6.203 -5.003 -4.615 1.00 0.00 C ATOM 165 CG LEU A 10 -4.815 -4.646 -5.157 1.00 0.00 C ATOM 166 CD1 LEU A 10 -3.997 -5.906 -5.423 1.00 0.00 C ATOM 167 CD2 LEU A 10 -4.939 -3.811 -6.422 1.00 0.00 C ATOM 0 H LEU A 10 -8.295 -5.860 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.806 -7.054 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.865 -5.207 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.608 -4.136 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.293 -4.057 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.016 -5.628 -5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.878 -6.465 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.512 -6.526 -6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.945 -3.565 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.481 -4.377 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.480 -2.891 -6.199 1.00 0.00 H new ATOM 179 N GLY A 11 -6.069 -5.359 -1.412 1.00 0.00 N ATOM 180 CA GLY A 11 -5.380 -5.083 -0.176 1.00 0.00 C ATOM 181 C GLY A 11 -4.881 -6.369 0.438 1.00 0.00 C ATOM 182 O GLY A 11 -3.853 -6.392 1.111 1.00 0.00 O ATOM 0 H GLY A 11 -7.056 -5.102 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.543 -4.410 -0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.050 -4.576 0.518 1.00 0.00 H new ATOM 186 N GLN A 12 -5.615 -7.452 0.173 1.00 0.00 N ATOM 187 CA GLN A 12 -5.247 -8.769 0.675 1.00 0.00 C ATOM 188 C GLN A 12 -4.130 -9.362 -0.169 1.00 0.00 C ATOM 189 O GLN A 12 -3.235 -10.029 0.350 1.00 0.00 O ATOM 190 CB GLN A 12 -6.457 -9.705 0.669 1.00 0.00 C ATOM 191 CG GLN A 12 -7.545 -9.304 1.651 1.00 0.00 C ATOM 192 CD GLN A 12 -7.024 -9.147 3.065 1.00 0.00 C ATOM 193 OE1 GLN A 12 -6.181 -9.921 3.519 1.00 0.00 O ATOM 194 NE2 GLN A 12 -7.526 -8.141 3.770 1.00 0.00 N ATOM 0 H GLN A 12 -6.467 -7.438 -0.387 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.896 -8.658 1.701 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.879 -9.732 -0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.124 -10.716 0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.994 -8.365 1.327 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.334 -10.056 1.640 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.223 -7.524 3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.215 -7.985 4.729 1.00 0.00 H new ATOM 203 N VAL A 13 -4.173 -9.101 -1.473 1.00 0.00 N ATOM 204 CA VAL A 13 -3.146 -9.596 -2.373 1.00 0.00 C ATOM 205 C VAL A 13 -1.854 -8.856 -2.105 1.00 0.00 C ATOM 206 O VAL A 13 -0.849 -9.452 -1.727 1.00 0.00 O ATOM 207 CB VAL A 13 -3.556 -9.417 -3.841 1.00 0.00 C ATOM 208 CG1 VAL A 13 -2.364 -9.599 -4.770 1.00 0.00 C ATOM 209 CG2 VAL A 13 -4.669 -10.387 -4.187 1.00 0.00 C ATOM 0 H VAL A 13 -4.905 -8.552 -1.924 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.011 -10.662 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.923 -8.400 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.685 -9.467 -5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.599 -8.860 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.953 -10.601 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.956 -10.255 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.322 -11.409 -4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.530 -10.196 -3.547 1.00 0.00 H new ATOM 219 N ILE A 14 -1.903 -7.541 -2.266 1.00 0.00 N ATOM 220 CA ILE A 14 -0.751 -6.698 -2.000 1.00 0.00 C ATOM 221 C ILE A 14 -0.114 -7.116 -0.675 1.00 0.00 C ATOM 222 O ILE A 14 1.100 -7.023 -0.491 1.00 0.00 O ATOM 223 CB ILE A 14 -1.172 -5.210 -1.939 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.686 -4.459 -3.178 1.00 0.00 C ATOM 225 CG2 ILE A 14 -0.665 -4.536 -0.672 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.508 -3.231 -3.479 1.00 0.00 C ATOM 0 H ILE A 14 -2.732 -7.036 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.028 -6.818 -2.806 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.261 -5.178 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.355 -4.168 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.714 -5.129 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.980 -3.492 -0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.075 -5.045 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.423 -4.587 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.115 -2.740 -4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.545 -3.520 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.459 -2.544 -2.634 1.00 0.00 H new ATOM 238 N HIS A 15 -0.962 -7.588 0.239 1.00 0.00 N ATOM 239 CA HIS A 15 -0.517 -8.037 1.543 1.00 0.00 C ATOM 240 C HIS A 15 -0.024 -9.483 1.481 1.00 0.00 C ATOM 241 O HIS A 15 0.956 -9.839 2.135 1.00 0.00 O ATOM 242 CB HIS A 15 -1.658 -7.888 2.553 1.00 0.00 C ATOM 243 CG HIS A 15 -1.764 -9.005 3.541 1.00 0.00 C ATOM 244 ND1 HIS A 15 -2.734 -9.977 3.462 1.00 0.00 N ATOM 245 CD2 HIS A 15 -1.018 -9.304 4.630 1.00 0.00 C ATOM 246 CE1 HIS A 15 -2.585 -10.825 4.457 1.00 0.00 C ATOM 247 NE2 HIS A 15 -1.551 -10.442 5.183 1.00 0.00 N ATOM 0 H HIS A 15 -1.968 -7.667 0.091 1.00 0.00 H new ATOM 0 HA HIS A 15 0.321 -7.419 1.865 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.526 -6.952 3.095 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.599 -7.811 2.009 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -3.456 -10.032 2.744 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.165 -8.752 4.995 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.204 -11.689 4.648 1.00 0.00 H new ATOM 256 N LYS A 16 -0.707 -10.320 0.699 1.00 0.00 N ATOM 257 CA LYS A 16 -0.315 -11.720 0.579 1.00 0.00 C ATOM 258 C LYS A 16 0.954 -11.860 -0.260 1.00 0.00 C ATOM 259 O LYS A 16 1.861 -12.612 0.095 1.00 0.00 O ATOM 260 CB LYS A 16 -1.459 -12.557 -0.011 1.00 0.00 C ATOM 261 CG LYS A 16 -1.511 -12.582 -1.530 1.00 0.00 C ATOM 262 CD LYS A 16 -2.856 -13.082 -2.025 1.00 0.00 C ATOM 263 CE LYS A 16 -2.909 -13.139 -3.543 1.00 0.00 C ATOM 264 NZ LYS A 16 -4.123 -13.848 -4.035 1.00 0.00 N ATOM 0 H LYS A 16 -1.523 -10.056 0.147 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.100 -12.099 1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.367 -13.580 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.406 -12.169 0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.327 -11.581 -1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.718 -13.224 -1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.049 -14.074 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.646 -12.427 -1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.894 -12.126 -3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.018 -13.643 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.153 -13.805 -5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.092 -14.842 -3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.973 -13.393 -3.645 1.00 0.00 H new ATOM 278 N ARG A 17 1.019 -11.122 -1.365 1.00 0.00 N ATOM 279 CA ARG A 17 2.186 -11.160 -2.237 1.00 0.00 C ATOM 280 C ARG A 17 3.409 -10.618 -1.508 1.00 0.00 C ATOM 281 O ARG A 17 4.517 -11.133 -1.661 1.00 0.00 O ATOM 282 CB ARG A 17 1.932 -10.349 -3.509 1.00 0.00 C ATOM 283 CG ARG A 17 0.623 -10.694 -4.198 1.00 0.00 C ATOM 284 CD ARG A 17 0.669 -10.365 -5.682 1.00 0.00 C ATOM 285 NE ARG A 17 0.025 -11.397 -6.491 1.00 0.00 N ATOM 286 CZ ARG A 17 -0.406 -11.204 -7.736 1.00 0.00 C ATOM 287 NH1 ARG A 17 -0.262 -10.020 -8.320 1.00 0.00 N ATOM 288 NH2 ARG A 17 -0.982 -12.197 -8.399 1.00 0.00 N ATOM 0 H ARG A 17 0.279 -10.493 -1.676 1.00 0.00 H new ATOM 0 HA ARG A 17 2.373 -12.197 -2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.933 -9.288 -3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.754 -10.514 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.410 -11.755 -4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.192 -10.144 -3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.177 -9.408 -5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.707 -10.253 -5.997 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.102 -12.321 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.181 -9.253 -7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.594 -9.878 -9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.095 -13.109 -7.955 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.312 -12.049 -9.353 1.00 0.00 H new ATOM 302 N CYS A 18 3.198 -9.577 -0.706 1.00 0.00 N ATOM 303 CA CYS A 18 4.281 -8.971 0.057 1.00 0.00 C ATOM 304 C CYS A 18 4.683 -9.879 1.213 1.00 0.00 C ATOM 305 O CYS A 18 5.859 -9.983 1.561 1.00 0.00 O ATOM 306 CB CYS A 18 3.867 -7.591 0.577 1.00 0.00 C ATOM 307 SG CYS A 18 2.831 -7.622 2.060 1.00 0.00 S ATOM 0 H CYS A 18 2.288 -9.138 -0.569 1.00 0.00 H new ATOM 0 HA CYS A 18 5.140 -8.844 -0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.766 -7.013 0.791 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.331 -7.066 -0.213 1.00 0.00 H new ATOM 0 HG CYS A 18 2.180 -8.746 2.111 1.00 0.00 H new ATOM 313 N GLU A 19 3.695 -10.545 1.799 1.00 0.00 N ATOM 314 CA GLU A 19 3.946 -11.456 2.905 1.00 0.00 C ATOM 315 C GLU A 19 4.778 -12.639 2.426 1.00 0.00 C ATOM 316 O GLU A 19 5.550 -13.220 3.187 1.00 0.00 O ATOM 317 CB GLU A 19 2.626 -11.948 3.502 1.00 0.00 C ATOM 318 CG GLU A 19 2.112 -11.082 4.640 1.00 0.00 C ATOM 319 CD GLU A 19 1.036 -11.769 5.456 1.00 0.00 C ATOM 320 OE1 GLU A 19 0.420 -12.726 4.941 1.00 0.00 O ATOM 321 OE2 GLU A 19 0.808 -11.351 6.610 1.00 0.00 O ATOM 0 H GLU A 19 2.715 -10.470 1.526 1.00 0.00 H new ATOM 0 HA GLU A 19 4.499 -10.923 3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.872 -11.984 2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.758 -12.968 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.943 -10.816 5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.716 -10.152 4.233 1.00 0.00 H new ATOM 328 N GLU A 20 4.614 -12.985 1.151 1.00 0.00 N ATOM 329 CA GLU A 20 5.352 -14.096 0.560 1.00 0.00 C ATOM 330 C GLU A 20 6.619 -13.610 -0.147 1.00 0.00 C ATOM 331 O GLU A 20 7.474 -14.414 -0.520 1.00 0.00 O ATOM 332 CB GLU A 20 4.464 -14.857 -0.427 1.00 0.00 C ATOM 333 CG GLU A 20 4.021 -14.022 -1.616 1.00 0.00 C ATOM 334 CD GLU A 20 3.010 -14.741 -2.489 1.00 0.00 C ATOM 335 OE1 GLU A 20 1.929 -15.095 -1.976 1.00 0.00 O ATOM 336 OE2 GLU A 20 3.303 -14.951 -3.685 1.00 0.00 O ATOM 0 H GLU A 20 3.978 -12.512 0.509 1.00 0.00 H new ATOM 0 HA GLU A 20 5.649 -14.765 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.004 -15.732 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.582 -15.223 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.588 -13.088 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.892 -13.760 -2.216 1.00 0.00 H new ATOM 343 N MET A 21 6.741 -12.294 -0.329 1.00 0.00 N ATOM 344 CA MET A 21 7.909 -11.714 -0.990 1.00 0.00 C ATOM 345 C MET A 21 9.203 -12.288 -0.425 1.00 0.00 C ATOM 346 O MET A 21 9.379 -12.378 0.790 1.00 0.00 O ATOM 347 CB MET A 21 7.908 -10.191 -0.843 1.00 0.00 C ATOM 348 CG MET A 21 7.442 -9.462 -2.092 1.00 0.00 C ATOM 349 SD MET A 21 8.609 -9.617 -3.458 1.00 0.00 S ATOM 350 CE MET A 21 8.688 -7.924 -4.035 1.00 0.00 C ATOM 0 H MET A 21 6.046 -11.611 -0.028 1.00 0.00 H new ATOM 0 HA MET A 21 7.852 -11.970 -2.048 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.263 -9.915 -0.009 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.915 -9.857 -0.592 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.474 -9.857 -2.399 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.297 -8.407 -1.860 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.662 -7.909 -5.125 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.837 -7.366 -3.644 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.613 -7.464 -3.688 1.00 0.00 H new ATOM 360 N LYS A 22 10.106 -12.666 -1.319 1.00 0.00 N ATOM 361 CA LYS A 22 11.390 -13.225 -0.916 1.00 0.00 C ATOM 362 C LYS A 22 12.467 -12.144 -0.882 1.00 0.00 C ATOM 363 O LYS A 22 13.621 -12.419 -0.552 1.00 0.00 O ATOM 364 CB LYS A 22 11.807 -14.350 -1.867 1.00 0.00 C ATOM 365 CG LYS A 22 11.580 -14.026 -3.335 1.00 0.00 C ATOM 366 CD LYS A 22 12.353 -14.973 -4.240 1.00 0.00 C ATOM 367 CE LYS A 22 11.919 -16.417 -4.039 1.00 0.00 C ATOM 368 NZ LYS A 22 11.561 -17.074 -5.326 1.00 0.00 N ATOM 0 H LYS A 22 9.974 -12.596 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 22 11.279 -13.634 0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.863 -14.572 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.251 -15.253 -1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.516 -14.091 -3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.887 -12.999 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.201 -14.688 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.420 -14.881 -4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.723 -16.974 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.063 -16.448 -3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.271 -18.056 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.776 -16.558 -5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.385 -17.068 -5.960 1.00 0.00 H new ATOM 382 N TYR A 23 12.087 -10.915 -1.224 1.00 0.00 N ATOM 383 CA TYR A 23 13.029 -9.802 -1.230 1.00 0.00 C ATOM 384 C TYR A 23 12.362 -8.516 -0.759 1.00 0.00 C ATOM 385 O TYR A 23 11.136 -8.406 -0.760 1.00 0.00 O ATOM 386 CB TYR A 23 13.600 -9.602 -2.632 1.00 0.00 C ATOM 387 CG TYR A 23 14.819 -10.447 -2.918 1.00 0.00 C ATOM 388 CD1 TYR A 23 14.698 -11.798 -3.215 1.00 0.00 C ATOM 389 CD2 TYR A 23 16.092 -9.892 -2.889 1.00 0.00 C ATOM 390 CE1 TYR A 23 15.812 -12.573 -3.475 1.00 0.00 C ATOM 391 CE2 TYR A 23 17.210 -10.660 -3.148 1.00 0.00 C ATOM 392 CZ TYR A 23 17.066 -12.000 -3.441 1.00 0.00 C ATOM 393 OH TYR A 23 18.177 -12.768 -3.700 1.00 0.00 O ATOM 0 H TYR A 23 11.137 -10.667 -1.499 1.00 0.00 H new ATOM 0 HA TYR A 23 13.838 -10.043 -0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.828 -9.834 -3.366 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.859 -8.551 -2.763 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.718 -12.250 -3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 23 16.209 -8.843 -2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.701 -13.623 -3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 23 18.193 -10.213 -3.121 1.00 0.00 H new ATOM 0 HH TYR A 23 18.981 -12.212 -3.637 1.00 0.00 H new ATOM 403 N CYS A 24 13.185 -7.543 -0.364 1.00 0.00 N ATOM 404 CA CYS A 24 12.699 -6.245 0.104 1.00 0.00 C ATOM 405 C CYS A 24 11.421 -6.372 0.929 1.00 0.00 C ATOM 406 O CYS A 24 10.556 -5.497 0.882 1.00 0.00 O ATOM 407 CB CYS A 24 12.442 -5.329 -1.090 1.00 0.00 C ATOM 408 SG CYS A 24 11.130 -5.915 -2.185 1.00 0.00 S ATOM 0 H CYS A 24 14.201 -7.632 -0.360 1.00 0.00 H new ATOM 0 HA CYS A 24 13.470 -5.821 0.747 1.00 0.00 H new ATOM 0 HB2 CYS A 24 12.182 -4.335 -0.725 1.00 0.00 H new ATOM 0 HB3 CYS A 24 13.363 -5.227 -1.663 1.00 0.00 H new ATOM 0 HG CYS A 24 10.654 -7.036 -1.731 1.00 0.00 H new ATOM 414 N LYS A 25 11.301 -7.461 1.676 1.00 0.00 N ATOM 415 CA LYS A 25 10.118 -7.685 2.498 1.00 0.00 C ATOM 416 C LYS A 25 9.851 -6.497 3.414 1.00 0.00 C ATOM 417 O LYS A 25 8.714 -6.055 3.549 1.00 0.00 O ATOM 418 CB LYS A 25 10.273 -8.952 3.331 1.00 0.00 C ATOM 419 CG LYS A 25 10.296 -10.228 2.504 1.00 0.00 C ATOM 420 CD LYS A 25 11.670 -10.883 2.519 1.00 0.00 C ATOM 421 CE LYS A 25 11.688 -12.123 3.399 1.00 0.00 C ATOM 422 NZ LYS A 25 12.278 -11.845 4.737 1.00 0.00 N ATOM 0 H LYS A 25 12.003 -8.199 1.730 1.00 0.00 H new ATOM 0 HA LYS A 25 9.268 -7.803 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.196 -8.887 3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.453 -9.008 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.555 -10.927 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.012 -10.001 1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.956 -11.153 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.410 -10.169 2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.671 -12.496 3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.260 -12.910 2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.272 -12.715 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.257 -11.513 4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.718 -11.113 5.218 1.00 0.00 H new ATOM 436 N LYS A 26 10.903 -5.982 4.043 1.00 0.00 N ATOM 437 CA LYS A 26 10.771 -4.840 4.948 1.00 0.00 C ATOM 438 C LYS A 26 9.816 -3.795 4.372 1.00 0.00 C ATOM 439 O LYS A 26 8.859 -3.382 5.028 1.00 0.00 O ATOM 440 CB LYS A 26 12.140 -4.207 5.209 1.00 0.00 C ATOM 441 CG LYS A 26 13.229 -5.219 5.532 1.00 0.00 C ATOM 442 CD LYS A 26 14.051 -4.790 6.736 1.00 0.00 C ATOM 443 CE LYS A 26 15.293 -5.654 6.899 1.00 0.00 C ATOM 444 NZ LYS A 26 14.950 -7.072 7.194 1.00 0.00 N ATOM 0 H LYS A 26 11.855 -6.335 3.945 1.00 0.00 H new ATOM 0 HA LYS A 26 10.360 -5.202 5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.438 -3.633 4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.053 -3.503 6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.777 -6.191 5.727 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.883 -5.339 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.345 -3.746 6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.440 -4.855 7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.890 -5.607 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.909 -5.255 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.824 -7.619 7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.374 -7.117 8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.413 -7.472 6.399 1.00 0.00 H new ATOM 458 N GLN A 27 10.080 -3.387 3.137 1.00 0.00 N ATOM 459 CA GLN A 27 9.246 -2.402 2.463 1.00 0.00 C ATOM 460 C GLN A 27 7.923 -3.015 2.019 1.00 0.00 C ATOM 461 O GLN A 27 6.852 -2.493 2.329 1.00 0.00 O ATOM 462 CB GLN A 27 9.978 -1.826 1.252 1.00 0.00 C ATOM 463 CG GLN A 27 11.064 -0.832 1.616 1.00 0.00 C ATOM 464 CD GLN A 27 12.441 -1.461 1.630 1.00 0.00 C ATOM 465 OE1 GLN A 27 12.626 -2.568 2.136 1.00 0.00 O ATOM 466 NE2 GLN A 27 13.416 -0.758 1.071 1.00 0.00 N ATOM 0 H GLN A 27 10.866 -3.724 2.582 1.00 0.00 H new ATOM 0 HA GLN A 27 9.036 -1.601 3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.421 -2.643 0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.255 -1.338 0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.052 -0.007 0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.851 -0.408 2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.217 0.156 0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.365 -1.131 1.048 1.00 0.00 H new ATOM 475 N CYS A 28 8.004 -4.121 1.285 1.00 0.00 N ATOM 476 CA CYS A 28 6.808 -4.795 0.792 1.00 0.00 C ATOM 477 C CYS A 28 5.865 -5.161 1.937 1.00 0.00 C ATOM 478 O CYS A 28 4.714 -4.725 1.962 1.00 0.00 O ATOM 479 CB CYS A 28 7.196 -6.042 -0.002 1.00 0.00 C ATOM 480 SG CYS A 28 7.881 -5.676 -1.632 1.00 0.00 S ATOM 0 H CYS A 28 8.882 -4.568 1.020 1.00 0.00 H new ATOM 0 HA CYS A 28 6.278 -4.107 0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.927 -6.614 0.570 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.317 -6.675 -0.120 1.00 0.00 H new ATOM 0 HG CYS A 28 9.178 -5.754 -1.585 1.00 0.00 H new ATOM 486 N ARG A 29 6.354 -5.964 2.881 1.00 0.00 N ATOM 487 CA ARG A 29 5.551 -6.386 4.026 1.00 0.00 C ATOM 488 C ARG A 29 4.782 -5.215 4.634 1.00 0.00 C ATOM 489 O ARG A 29 3.574 -5.304 4.849 1.00 0.00 O ATOM 490 CB ARG A 29 6.441 -7.033 5.088 1.00 0.00 C ATOM 491 CG ARG A 29 5.838 -8.286 5.690 1.00 0.00 C ATOM 492 CD ARG A 29 6.778 -8.934 6.694 1.00 0.00 C ATOM 493 NE ARG A 29 6.366 -10.295 7.028 1.00 0.00 N ATOM 494 CZ ARG A 29 5.390 -10.585 7.885 1.00 0.00 C ATOM 495 NH1 ARG A 29 4.728 -9.613 8.503 1.00 0.00 N ATOM 496 NH2 ARG A 29 5.075 -11.850 8.127 1.00 0.00 N ATOM 0 H ARG A 29 7.304 -6.335 2.875 1.00 0.00 H new ATOM 0 HA ARG A 29 4.825 -7.117 3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.405 -7.279 4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.631 -6.311 5.882 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.897 -8.038 6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.607 -8.996 4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.789 -8.951 6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.810 -8.332 7.602 1.00 0.00 H new ATOM 0 HE ARG A 29 6.855 -11.069 6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.967 -8.638 8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.981 -9.842 9.159 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.581 -12.600 7.656 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.327 -12.073 8.784 1.00 0.00 H new ATOM 510 N ARG A 30 5.484 -4.119 4.906 1.00 0.00 N ATOM 511 CA ARG A 30 4.849 -2.941 5.486 1.00 0.00 C ATOM 512 C ARG A 30 3.774 -2.401 4.556 1.00 0.00 C ATOM 513 O ARG A 30 2.668 -2.087 4.987 1.00 0.00 O ATOM 514 CB ARG A 30 5.875 -1.845 5.759 1.00 0.00 C ATOM 515 CG ARG A 30 6.260 -1.720 7.225 1.00 0.00 C ATOM 516 CD ARG A 30 7.192 -2.841 7.660 1.00 0.00 C ATOM 517 NE ARG A 30 8.387 -2.329 8.327 1.00 0.00 N ATOM 518 CZ ARG A 30 9.186 -3.072 9.091 1.00 0.00 C ATOM 519 NH1 ARG A 30 8.920 -4.358 9.287 1.00 0.00 N ATOM 520 NH2 ARG A 30 10.253 -2.528 9.661 1.00 0.00 N ATOM 0 H ARG A 30 6.485 -4.022 4.736 1.00 0.00 H new ATOM 0 HA ARG A 30 4.394 -3.243 6.429 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.772 -2.045 5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.475 -0.891 5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.744 -0.758 7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.360 -1.736 7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.661 -3.514 8.333 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.485 -3.427 6.789 1.00 0.00 H new ATOM 0 HE ARG A 30 8.623 -1.345 8.200 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.101 -4.781 8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.535 -4.922 9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.462 -1.540 9.514 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.865 -3.097 10.246 1.00 0.00 H new ATOM 534 N LEU A 31 4.109 -2.292 3.276 1.00 0.00 N ATOM 535 CA LEU A 31 3.169 -1.787 2.284 1.00 0.00 C ATOM 536 C LEU A 31 1.845 -2.534 2.375 1.00 0.00 C ATOM 537 O LEU A 31 0.781 -1.924 2.468 1.00 0.00 O ATOM 538 CB LEU A 31 3.757 -1.925 0.877 1.00 0.00 C ATOM 539 CG LEU A 31 2.786 -1.636 -0.271 1.00 0.00 C ATOM 540 CD1 LEU A 31 2.069 -0.310 -0.046 1.00 0.00 C ATOM 541 CD2 LEU A 31 3.528 -1.634 -1.602 1.00 0.00 C ATOM 0 H LEU A 31 5.023 -2.546 2.901 1.00 0.00 H new ATOM 0 HA LEU A 31 2.987 -0.732 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.608 -1.250 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.141 -2.938 0.760 1.00 0.00 H new ATOM 0 HG LEU A 31 2.034 -2.425 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.383 -0.122 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.508 -0.353 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.802 0.495 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.826 -1.427 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.300 -0.865 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.989 -2.608 -1.763 1.00 0.00 H new ATOM 553 N GLY A 32 1.922 -3.858 2.357 1.00 0.00 N ATOM 554 CA GLY A 32 0.726 -4.669 2.447 1.00 0.00 C ATOM 555 C GLY A 32 0.046 -4.545 3.794 1.00 0.00 C ATOM 556 O GLY A 32 -1.159 -4.304 3.868 1.00 0.00 O ATOM 0 H GLY A 32 2.792 -4.384 2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.029 -4.373 1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.983 -5.713 2.267 1.00 0.00 H new ATOM 560 N HIS A 33 0.819 -4.706 4.863 1.00 0.00 N ATOM 561 CA HIS A 33 0.280 -4.606 6.213 1.00 0.00 C ATOM 562 C HIS A 33 -0.307 -3.221 6.454 1.00 0.00 C ATOM 563 O HIS A 33 -1.328 -3.078 7.124 1.00 0.00 O ATOM 564 CB HIS A 33 1.366 -4.908 7.248 1.00 0.00 C ATOM 565 CG HIS A 33 1.376 -6.333 7.709 1.00 0.00 C ATOM 566 ND1 HIS A 33 0.958 -6.721 8.965 1.00 0.00 N ATOM 567 CD2 HIS A 33 1.753 -7.467 7.073 1.00 0.00 C ATOM 568 CE1 HIS A 33 1.081 -8.031 9.083 1.00 0.00 C ATOM 569 NE2 HIS A 33 1.561 -8.508 7.948 1.00 0.00 N ATOM 0 H HIS A 33 1.818 -4.906 4.820 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.516 -5.343 6.318 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.340 -4.666 6.822 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.225 -4.257 8.111 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.134 -7.540 6.065 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.832 -8.613 9.958 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.757 -9.490 7.753 1.00 0.00 H new ATOM 578 N ARG A 34 0.330 -2.201 5.883 1.00 0.00 N ATOM 579 CA ARG A 34 -0.154 -0.836 6.023 1.00 0.00 C ATOM 580 C ARG A 34 -1.371 -0.659 5.136 1.00 0.00 C ATOM 581 O ARG A 34 -2.402 -0.133 5.561 1.00 0.00 O ATOM 582 CB ARG A 34 0.936 0.168 5.645 1.00 0.00 C ATOM 583 CG ARG A 34 1.924 0.438 6.769 1.00 0.00 C ATOM 584 CD ARG A 34 3.359 0.416 6.271 1.00 0.00 C ATOM 585 NE ARG A 34 4.231 1.272 7.071 1.00 0.00 N ATOM 586 CZ ARG A 34 4.577 1.006 8.329 1.00 0.00 C ATOM 587 NH1 ARG A 34 4.132 -0.089 8.931 1.00 0.00 N ATOM 588 NH2 ARG A 34 5.373 1.839 8.987 1.00 0.00 N ATOM 0 H ARG A 34 1.177 -2.296 5.323 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.426 -0.651 7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.478 -0.206 4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.468 1.107 5.349 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.709 1.408 7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.799 -0.310 7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.735 -0.607 6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.387 0.742 5.231 1.00 0.00 H new ATOM 0 HE ARG A 34 4.596 2.122 6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.521 -0.734 8.430 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.401 -0.286 9.895 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.719 2.682 8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.639 1.636 9.951 1.00 0.00 H new ATOM 602 N VAL A 35 -1.251 -1.142 3.904 1.00 0.00 N ATOM 603 CA VAL A 35 -2.351 -1.079 2.952 1.00 0.00 C ATOM 604 C VAL A 35 -3.599 -1.708 3.569 1.00 0.00 C ATOM 605 O VAL A 35 -4.682 -1.124 3.542 1.00 0.00 O ATOM 606 CB VAL A 35 -1.997 -1.812 1.638 1.00 0.00 C ATOM 607 CG1 VAL A 35 -3.252 -2.198 0.866 1.00 0.00 C ATOM 608 CG2 VAL A 35 -1.082 -0.953 0.778 1.00 0.00 C ATOM 0 H VAL A 35 -0.404 -1.581 3.543 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.540 -0.031 2.718 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.469 -2.730 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.970 -2.712 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.866 -2.859 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.819 -1.300 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.843 -1.485 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.584 -0.016 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.162 -0.742 1.324 1.00 0.00 H new ATOM 618 N LEU A 36 -3.425 -2.898 4.142 1.00 0.00 N ATOM 619 CA LEU A 36 -4.523 -3.610 4.787 1.00 0.00 C ATOM 620 C LEU A 36 -5.238 -2.693 5.770 1.00 0.00 C ATOM 621 O LEU A 36 -6.467 -2.652 5.820 1.00 0.00 O ATOM 622 CB LEU A 36 -4.002 -4.844 5.532 1.00 0.00 C ATOM 623 CG LEU A 36 -3.667 -6.056 4.658 1.00 0.00 C ATOM 624 CD1 LEU A 36 -3.455 -7.292 5.520 1.00 0.00 C ATOM 625 CD2 LEU A 36 -4.768 -6.307 3.643 1.00 0.00 C ATOM 0 H LEU A 36 -2.531 -3.389 4.172 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.222 -3.930 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.107 -4.560 6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.749 -5.144 6.266 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.743 -5.842 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.218 -8.144 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.631 -7.116 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.364 -7.503 6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.510 -7.172 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.706 -6.497 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.879 -5.432 3.003 1.00 0.00 H new ATOM 637 N GLY A 37 -4.452 -1.955 6.546 1.00 0.00 N ATOM 638 CA GLY A 37 -5.016 -1.039 7.520 1.00 0.00 C ATOM 639 C GLY A 37 -5.927 -0.013 6.880 1.00 0.00 C ATOM 640 O GLY A 37 -6.865 0.474 7.509 1.00 0.00 O ATOM 0 H GLY A 37 -3.433 -1.975 6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.575 -1.604 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.209 -0.528 8.046 1.00 0.00 H new ATOM 644 N LEU A 38 -5.653 0.309 5.621 1.00 0.00 N ATOM 645 CA LEU A 38 -6.458 1.275 4.884 1.00 0.00 C ATOM 646 C LEU A 38 -7.789 0.647 4.502 1.00 0.00 C ATOM 647 O LEU A 38 -8.823 1.315 4.461 1.00 0.00 O ATOM 648 CB LEU A 38 -5.717 1.749 3.635 1.00 0.00 C ATOM 649 CG LEU A 38 -4.397 2.478 3.901 1.00 0.00 C ATOM 650 CD1 LEU A 38 -3.823 3.020 2.604 1.00 0.00 C ATOM 651 CD2 LEU A 38 -4.594 3.602 4.909 1.00 0.00 C ATOM 0 H LEU A 38 -4.878 -0.086 5.089 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.641 2.141 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.516 0.885 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.373 2.412 3.072 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.690 1.764 4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.885 3.536 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.641 2.196 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.531 3.718 2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.643 4.106 5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.318 4.318 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.962 3.188 5.848 1.00 0.00 H new ATOM 663 N ILE A 39 -7.751 -0.656 4.241 1.00 0.00 N ATOM 664 CA ILE A 39 -8.941 -1.411 3.880 1.00 0.00 C ATOM 665 C ILE A 39 -9.638 -1.922 5.141 1.00 0.00 C ATOM 666 O ILE A 39 -10.810 -2.299 5.108 1.00 0.00 O ATOM 667 CB ILE A 39 -8.596 -2.599 2.938 1.00 0.00 C ATOM 668 CG1 ILE A 39 -8.678 -3.946 3.671 1.00 0.00 C ATOM 669 CG2 ILE A 39 -7.212 -2.421 2.331 1.00 0.00 C ATOM 670 CD1 ILE A 39 -8.217 -5.126 2.837 1.00 0.00 C ATOM 0 H ILE A 39 -6.898 -1.214 4.274 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.614 -0.743 3.342 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.337 -2.604 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.073 -3.894 4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.708 -4.116 3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.991 -3.263 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.183 -1.496 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.469 -2.376 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.304 -6.041 3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.838 -5.205 1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.177 -4.980 2.544 1.00 0.00 H new ATOM 682 N LYS A 40 -8.895 -1.941 6.246 1.00 0.00 N ATOM 683 CA LYS A 40 -9.422 -2.415 7.525 1.00 0.00 C ATOM 684 C LYS A 40 -10.747 -1.739 7.891 1.00 0.00 C ATOM 685 O LYS A 40 -11.772 -2.409 8.019 1.00 0.00 O ATOM 686 CB LYS A 40 -8.398 -2.183 8.642 1.00 0.00 C ATOM 687 CG LYS A 40 -7.359 -3.288 8.766 1.00 0.00 C ATOM 688 CD LYS A 40 -8.004 -4.660 8.882 1.00 0.00 C ATOM 689 CE LYS A 40 -7.101 -5.639 9.616 1.00 0.00 C ATOM 690 NZ LYS A 40 -7.413 -5.700 11.070 1.00 0.00 N ATOM 0 H LYS A 40 -7.923 -1.633 6.281 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.612 -3.483 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.888 -1.237 8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.926 -2.086 9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.702 -3.268 7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.736 -3.104 9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.954 -4.573 9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.226 -5.044 7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.211 -6.632 9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.060 -5.345 9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.776 -6.378 11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.283 -4.759 11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.398 -6.006 11.201 1.00 0.00 H new ATOM 704 N PRO A 41 -10.749 -0.404 8.077 1.00 0.00 N ATOM 705 CA PRO A 41 -11.962 0.334 8.443 1.00 0.00 C ATOM 706 C PRO A 41 -13.090 0.138 7.439 1.00 0.00 C ATOM 707 O PRO A 41 -14.257 0.034 7.818 1.00 0.00 O ATOM 708 CB PRO A 41 -11.514 1.804 8.481 1.00 0.00 C ATOM 709 CG PRO A 41 -10.200 1.842 7.775 1.00 0.00 C ATOM 710 CD PRO A 41 -9.582 0.482 7.957 1.00 0.00 C ATOM 0 HA PRO A 41 -12.368 -0.014 9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.242 2.448 7.989 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.418 2.158 9.507 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.334 2.070 6.717 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.558 2.619 8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.954 0.208 7.109 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.953 0.441 8.846 1.00 0.00 H new ATOM 718 N LEU A 42 -12.744 0.075 6.159 1.00 0.00 N ATOM 719 CA LEU A 42 -13.746 -0.125 5.122 1.00 0.00 C ATOM 720 C LEU A 42 -14.480 -1.435 5.349 1.00 0.00 C ATOM 721 O LEU A 42 -15.681 -1.536 5.105 1.00 0.00 O ATOM 722 CB LEU A 42 -13.108 -0.137 3.740 1.00 0.00 C ATOM 723 CG LEU A 42 -12.193 1.043 3.431 1.00 0.00 C ATOM 724 CD1 LEU A 42 -11.278 0.693 2.275 1.00 0.00 C ATOM 725 CD2 LEU A 42 -13.013 2.286 3.115 1.00 0.00 C ATOM 0 H LEU A 42 -11.787 0.159 5.817 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.452 0.704 5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.535 -1.058 3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.901 -0.165 2.993 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.582 1.258 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.626 1.539 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.672 -0.173 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.877 0.461 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.343 3.118 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.646 2.094 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.637 2.538 3.972 1.00 0.00 H new ATOM 737 N GLU A 43 -13.750 -2.437 5.826 1.00 0.00 N ATOM 738 CA GLU A 43 -14.338 -3.740 6.093 1.00 0.00 C ATOM 739 C GLU A 43 -15.582 -3.588 6.963 1.00 0.00 C ATOM 740 O GLU A 43 -16.533 -4.361 6.851 1.00 0.00 O ATOM 741 CB GLU A 43 -13.324 -4.657 6.780 1.00 0.00 C ATOM 742 CG GLU A 43 -12.062 -4.885 5.964 1.00 0.00 C ATOM 743 CD GLU A 43 -11.476 -6.269 6.172 1.00 0.00 C ATOM 744 OE1 GLU A 43 -12.083 -7.248 5.690 1.00 0.00 O ATOM 745 OE2 GLU A 43 -10.411 -6.372 6.816 1.00 0.00 O ATOM 0 H GLU A 43 -12.754 -2.370 6.034 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.624 -4.191 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.051 -4.226 7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.795 -5.619 6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.287 -4.745 4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.318 -4.135 6.234 1.00 0.00 H new ATOM 752 N MET A 44 -15.572 -2.573 7.821 1.00 0.00 N ATOM 753 CA MET A 44 -16.705 -2.307 8.699 1.00 0.00 C ATOM 754 C MET A 44 -17.748 -1.447 7.988 1.00 0.00 C ATOM 755 O MET A 44 -18.918 -1.426 8.370 1.00 0.00 O ATOM 756 CB MET A 44 -16.233 -1.603 9.972 1.00 0.00 C ATOM 757 CG MET A 44 -15.277 -2.436 10.810 1.00 0.00 C ATOM 758 SD MET A 44 -14.744 -1.584 12.307 1.00 0.00 S ATOM 759 CE MET A 44 -13.030 -2.097 12.394 1.00 0.00 C ATOM 0 H MET A 44 -14.793 -1.923 7.927 1.00 0.00 H new ATOM 0 HA MET A 44 -17.162 -3.260 8.966 1.00 0.00 H new ATOM 0 HB2 MET A 44 -15.744 -0.668 9.700 1.00 0.00 H new ATOM 0 HB3 MET A 44 -17.102 -1.344 10.577 1.00 0.00 H new ATOM 0 HG2 MET A 44 -15.761 -3.373 11.083 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.403 -2.691 10.211 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.561 -1.651 13.271 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.979 -3.183 12.468 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.506 -1.770 11.496 1.00 0.00 H new ATOM 769 N LEU A 45 -17.309 -0.726 6.960 1.00 0.00 N ATOM 770 CA LEU A 45 -18.193 0.151 6.201 1.00 0.00 C ATOM 771 C LEU A 45 -18.836 -0.566 5.013 1.00 0.00 C ATOM 772 O LEU A 45 -20.058 -0.590 4.883 1.00 0.00 O ATOM 773 CB LEU A 45 -17.415 1.372 5.704 1.00 0.00 C ATOM 774 CG LEU A 45 -17.646 2.656 6.499 1.00 0.00 C ATOM 775 CD1 LEU A 45 -16.827 2.642 7.780 1.00 0.00 C ATOM 776 CD2 LEU A 45 -17.300 3.870 5.652 1.00 0.00 C ATOM 0 H LEU A 45 -16.343 -0.733 6.633 1.00 0.00 H new ATOM 0 HA LEU A 45 -18.993 0.465 6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.351 1.138 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.682 1.555 4.663 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.700 2.715 6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -17.003 3.564 8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -17.122 1.789 8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.768 2.563 7.534 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.469 4.778 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.253 3.819 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.930 3.884 4.762 1.00 0.00 H new ATOM 788 N GLN A 46 -18.009 -1.118 4.129 1.00 0.00 N ATOM 789 CA GLN A 46 -18.515 -1.797 2.938 1.00 0.00 C ATOM 790 C GLN A 46 -18.944 -3.241 3.216 1.00 0.00 C ATOM 791 O GLN A 46 -19.956 -3.702 2.688 1.00 0.00 O ATOM 792 CB GLN A 46 -17.453 -1.775 1.837 1.00 0.00 C ATOM 793 CG GLN A 46 -16.268 -2.686 2.110 1.00 0.00 C ATOM 794 CD GLN A 46 -16.528 -4.120 1.696 1.00 0.00 C ATOM 795 OE1 GLN A 46 -17.304 -4.381 0.776 1.00 0.00 O ATOM 796 NE2 GLN A 46 -15.881 -5.061 2.376 1.00 0.00 N ATOM 0 H GLN A 46 -16.992 -1.109 4.213 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.404 -1.255 2.614 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -17.915 -2.068 0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.093 -0.754 1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.395 -2.310 1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.029 -2.656 3.173 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.247 -4.800 3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.018 -6.044 2.143 1.00 0.00 H new ATOM 805 N ASP A 47 -18.161 -3.961 4.012 1.00 0.00 N ATOM 806 CA ASP A 47 -18.464 -5.359 4.310 1.00 0.00 C ATOM 807 C ASP A 47 -19.659 -5.511 5.255 1.00 0.00 C ATOM 808 O ASP A 47 -20.773 -5.793 4.813 1.00 0.00 O ATOM 809 CB ASP A 47 -17.233 -6.059 4.893 1.00 0.00 C ATOM 810 CG ASP A 47 -16.836 -7.288 4.098 1.00 0.00 C ATOM 811 OD1 ASP A 47 -17.091 -7.312 2.875 1.00 0.00 O ATOM 812 OD2 ASP A 47 -16.271 -8.227 4.697 1.00 0.00 O ATOM 0 H ASP A 47 -17.317 -3.604 4.460 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.738 -5.834 3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.398 -5.359 4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.437 -6.347 5.924 1.00 0.00 H new ATOM 928 N SER A 55 -20.954 7.874 -3.830 1.00 0.00 N ATOM 929 CA SER A 55 -20.935 9.219 -4.394 1.00 0.00 C ATOM 930 C SER A 55 -19.852 9.348 -5.461 1.00 0.00 C ATOM 931 O SER A 55 -18.925 8.539 -5.521 1.00 0.00 O ATOM 932 CB SER A 55 -20.709 10.254 -3.290 1.00 0.00 C ATOM 933 OG SER A 55 -21.706 11.261 -3.323 1.00 0.00 O ATOM 0 HA SER A 55 -21.902 9.403 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.718 9.761 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.725 10.708 -3.409 1.00 0.00 H new ATOM 0 HG SER A 55 -21.286 12.132 -3.482 1.00 0.00 H new ATOM 939 N GLU A 56 -19.977 10.370 -6.302 1.00 0.00 N ATOM 940 CA GLU A 56 -19.010 10.606 -7.368 1.00 0.00 C ATOM 941 C GLU A 56 -17.618 10.849 -6.795 1.00 0.00 C ATOM 942 O GLU A 56 -16.614 10.466 -7.395 1.00 0.00 O ATOM 943 CB GLU A 56 -19.439 11.802 -8.219 1.00 0.00 C ATOM 944 CG GLU A 56 -18.494 12.099 -9.373 1.00 0.00 C ATOM 945 CD GLU A 56 -18.811 13.411 -10.063 1.00 0.00 C ATOM 946 OE1 GLU A 56 -18.317 14.460 -9.599 1.00 0.00 O ATOM 947 OE2 GLU A 56 -19.552 13.390 -11.067 1.00 0.00 O ATOM 0 H GLU A 56 -20.738 11.048 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.975 9.716 -7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -20.437 11.615 -8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.510 12.684 -7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.470 12.126 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.548 11.288 -10.100 1.00 0.00 H new ATOM 954 N LYS A 57 -17.565 11.488 -5.631 1.00 0.00 N ATOM 955 CA LYS A 57 -16.295 11.782 -4.977 1.00 0.00 C ATOM 956 C LYS A 57 -15.725 10.534 -4.312 1.00 0.00 C ATOM 957 O LYS A 57 -14.534 10.248 -4.427 1.00 0.00 O ATOM 958 CB LYS A 57 -16.477 12.889 -3.938 1.00 0.00 C ATOM 959 CG LYS A 57 -16.502 14.287 -4.533 1.00 0.00 C ATOM 960 CD LYS A 57 -15.097 14.811 -4.788 1.00 0.00 C ATOM 961 CE LYS A 57 -14.668 15.799 -3.714 1.00 0.00 C ATOM 962 NZ LYS A 57 -13.223 15.664 -3.380 1.00 0.00 N ATOM 0 H LYS A 57 -18.387 11.812 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.592 12.120 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.407 12.717 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.668 12.828 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.062 14.275 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.026 14.962 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.396 13.977 -4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.059 15.294 -5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.868 16.815 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.265 15.640 -2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.035 16.116 -2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.972 14.656 -3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.652 16.125 -4.117 1.00 0.00 H new ATOM 976 N LEU A 58 -16.583 9.795 -3.617 1.00 0.00 N ATOM 977 CA LEU A 58 -16.163 8.578 -2.934 1.00 0.00 C ATOM 978 C LEU A 58 -15.581 7.575 -3.923 1.00 0.00 C ATOM 979 O LEU A 58 -14.485 7.053 -3.719 1.00 0.00 O ATOM 980 CB LEU A 58 -17.347 7.953 -2.190 1.00 0.00 C ATOM 981 CG LEU A 58 -17.057 6.611 -1.513 1.00 0.00 C ATOM 982 CD1 LEU A 58 -15.780 6.688 -0.689 1.00 0.00 C ATOM 983 CD2 LEU A 58 -18.231 6.192 -0.640 1.00 0.00 C ATOM 0 H LEU A 58 -17.573 10.018 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.389 8.841 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.692 8.657 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.167 7.816 -2.895 1.00 0.00 H new ATOM 0 HG LEU A 58 -16.917 5.859 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.593 5.724 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.943 6.942 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.888 7.453 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -18.009 5.236 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.401 6.947 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -19.125 6.093 -1.256 1.00 0.00 H new ATOM 995 N THR A 59 -16.318 7.313 -4.999 1.00 0.00 N ATOM 996 CA THR A 59 -15.868 6.376 -6.021 1.00 0.00 C ATOM 997 C THR A 59 -14.534 6.824 -6.611 1.00 0.00 C ATOM 998 O THR A 59 -13.641 6.010 -6.838 1.00 0.00 O ATOM 999 CB THR A 59 -16.920 6.247 -7.127 1.00 0.00 C ATOM 1000 OG1 THR A 59 -16.687 5.086 -7.906 1.00 0.00 O ATOM 1001 CG2 THR A 59 -16.953 7.431 -8.070 1.00 0.00 C ATOM 0 H THR A 59 -17.227 7.736 -5.185 1.00 0.00 H new ATOM 0 HA THR A 59 -15.729 5.401 -5.555 1.00 0.00 H new ATOM 0 HB THR A 59 -17.877 6.193 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.369 5.020 -8.606 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.721 7.272 -8.827 1.00 0.00 H new ATOM 0 HG22 THR A 59 -17.180 8.337 -7.508 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.982 7.538 -8.554 1.00 0.00 H new ATOM 1009 N THR A 60 -14.405 8.127 -6.852 1.00 0.00 N ATOM 1010 CA THR A 60 -13.178 8.681 -7.409 1.00 0.00 C ATOM 1011 C THR A 60 -12.002 8.406 -6.476 1.00 0.00 C ATOM 1012 O THR A 60 -10.881 8.168 -6.925 1.00 0.00 O ATOM 1013 CB THR A 60 -13.338 10.188 -7.664 1.00 0.00 C ATOM 1014 OG1 THR A 60 -12.925 10.516 -8.979 1.00 0.00 O ATOM 1015 CG2 THR A 60 -12.553 11.066 -6.710 1.00 0.00 C ATOM 0 H THR A 60 -15.135 8.816 -6.670 1.00 0.00 H new ATOM 0 HA THR A 60 -12.975 8.196 -8.364 1.00 0.00 H new ATOM 0 HB THR A 60 -14.399 10.385 -7.510 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.035 11.479 -9.126 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.721 12.114 -6.958 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.882 10.878 -5.688 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.491 10.838 -6.797 1.00 0.00 H new ATOM 1023 N ALA A 61 -12.274 8.419 -5.175 1.00 0.00 N ATOM 1024 CA ALA A 61 -11.244 8.149 -4.183 1.00 0.00 C ATOM 1025 C ALA A 61 -10.890 6.677 -4.219 1.00 0.00 C ATOM 1026 O ALA A 61 -9.729 6.305 -4.396 1.00 0.00 O ATOM 1027 CB ALA A 61 -11.715 8.547 -2.795 1.00 0.00 C ATOM 0 H ALA A 61 -13.197 8.613 -4.786 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.359 8.741 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.929 8.336 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.946 9.612 -2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.609 7.979 -2.537 1.00 0.00 H new ATOM 1033 N MET A 62 -11.911 5.839 -4.081 1.00 0.00 N ATOM 1034 CA MET A 62 -11.726 4.403 -4.131 1.00 0.00 C ATOM 1035 C MET A 62 -11.111 4.024 -5.469 1.00 0.00 C ATOM 1036 O MET A 62 -10.351 3.062 -5.567 1.00 0.00 O ATOM 1037 CB MET A 62 -13.064 3.696 -3.931 1.00 0.00 C ATOM 1038 CG MET A 62 -13.778 4.104 -2.652 1.00 0.00 C ATOM 1039 SD MET A 62 -15.513 3.617 -2.636 1.00 0.00 S ATOM 1040 CE MET A 62 -15.406 1.997 -3.386 1.00 0.00 C ATOM 0 H MET A 62 -12.876 6.135 -3.933 1.00 0.00 H new ATOM 0 HA MET A 62 -11.054 4.091 -3.331 1.00 0.00 H new ATOM 0 HB2 MET A 62 -13.710 3.909 -4.783 1.00 0.00 H new ATOM 0 HB3 MET A 62 -12.899 2.619 -3.918 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.271 3.654 -1.799 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.707 5.185 -2.531 1.00 0.00 H new ATOM 0 HE1 MET A 62 -16.191 1.357 -2.984 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.529 2.087 -4.465 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.433 1.558 -3.167 1.00 0.00 H new ATOM 1050 N ASN A 63 -11.418 4.816 -6.498 1.00 0.00 N ATOM 1051 CA ASN A 63 -10.860 4.581 -7.821 1.00 0.00 C ATOM 1052 C ASN A 63 -9.355 4.780 -7.755 1.00 0.00 C ATOM 1053 O ASN A 63 -8.581 3.909 -8.150 1.00 0.00 O ATOM 1054 CB ASN A 63 -11.474 5.535 -8.847 1.00 0.00 C ATOM 1055 CG ASN A 63 -12.718 4.965 -9.500 1.00 0.00 C ATOM 1056 OD1 ASN A 63 -12.691 3.871 -10.063 1.00 0.00 O ATOM 1057 ND2 ASN A 63 -13.817 5.707 -9.428 1.00 0.00 N ATOM 0 H ASN A 63 -12.045 5.618 -6.437 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.089 3.562 -8.135 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.723 6.477 -8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.735 5.761 -9.616 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.685 5.376 -9.850 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.793 6.608 -8.951 1.00 0.00 H new ATOM 1064 N ARG A 64 -8.954 5.921 -7.205 1.00 0.00 N ATOM 1065 CA ARG A 64 -7.544 6.225 -7.028 1.00 0.00 C ATOM 1066 C ARG A 64 -6.933 5.190 -6.096 1.00 0.00 C ATOM 1067 O ARG A 64 -5.758 4.845 -6.205 1.00 0.00 O ATOM 1068 CB ARG A 64 -7.374 7.625 -6.432 1.00 0.00 C ATOM 1069 CG ARG A 64 -6.943 8.675 -7.439 1.00 0.00 C ATOM 1070 CD ARG A 64 -8.071 9.647 -7.757 1.00 0.00 C ATOM 1071 NE ARG A 64 -8.301 9.767 -9.195 1.00 0.00 N ATOM 1072 CZ ARG A 64 -9.167 10.620 -9.738 1.00 0.00 C ATOM 1073 NH1 ARG A 64 -9.887 11.427 -8.968 1.00 0.00 N ATOM 1074 NH2 ARG A 64 -9.315 10.665 -11.055 1.00 0.00 N ATOM 0 H ARG A 64 -9.588 6.649 -6.875 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.041 6.198 -7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.317 7.934 -5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.637 7.581 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.088 9.226 -7.047 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.614 8.186 -8.356 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.987 9.312 -7.270 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.832 10.627 -7.345 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.767 9.162 -9.819 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.778 11.396 -7.954 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.549 12.078 -9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.766 10.046 -11.651 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.978 11.318 -11.472 1.00 0.00 H new ATOM 1088 N PHE A 65 -7.762 4.703 -5.175 1.00 0.00 N ATOM 1089 CA PHE A 65 -7.355 3.701 -4.202 1.00 0.00 C ATOM 1090 C PHE A 65 -7.051 2.377 -4.886 1.00 0.00 C ATOM 1091 O PHE A 65 -5.930 1.871 -4.820 1.00 0.00 O ATOM 1092 CB PHE A 65 -8.476 3.517 -3.183 1.00 0.00 C ATOM 1093 CG PHE A 65 -8.049 2.931 -1.868 1.00 0.00 C ATOM 1094 CD1 PHE A 65 -6.720 2.930 -1.463 1.00 0.00 C ATOM 1095 CD2 PHE A 65 -9.000 2.390 -1.027 1.00 0.00 C ATOM 1096 CE1 PHE A 65 -6.358 2.394 -0.243 1.00 0.00 C ATOM 1097 CE2 PHE A 65 -8.647 1.857 0.192 1.00 0.00 C ATOM 1098 CZ PHE A 65 -7.323 1.856 0.587 1.00 0.00 C ATOM 0 H PHE A 65 -8.735 4.995 -5.085 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.448 4.038 -3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.941 4.485 -2.998 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.241 2.874 -3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.964 3.352 -2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.037 2.385 -1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.322 2.395 0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.404 1.440 0.839 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.043 1.436 1.542 1.00 0.00 H new ATOM 1108 N LYS A 66 -8.060 1.824 -5.547 1.00 0.00 N ATOM 1109 CA LYS A 66 -7.917 0.562 -6.254 1.00 0.00 C ATOM 1110 C LYS A 66 -6.790 0.655 -7.280 1.00 0.00 C ATOM 1111 O LYS A 66 -6.065 -0.312 -7.513 1.00 0.00 O ATOM 1112 CB LYS A 66 -9.266 0.203 -6.892 1.00 0.00 C ATOM 1113 CG LYS A 66 -9.188 -0.540 -8.210 1.00 0.00 C ATOM 1114 CD LYS A 66 -9.521 0.371 -9.381 1.00 0.00 C ATOM 1115 CE LYS A 66 -8.334 0.535 -10.313 1.00 0.00 C ATOM 1116 NZ LYS A 66 -8.573 1.584 -11.341 1.00 0.00 N ATOM 0 H LYS A 66 -8.992 2.235 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.642 -0.236 -5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.832 -0.404 -6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.831 1.122 -7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.186 -0.950 -8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.878 -1.383 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.365 -0.040 -9.934 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.829 1.347 -9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.449 0.793 -9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.126 -0.415 -10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.726 1.687 -11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.381 1.310 -11.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.779 2.489 -10.872 1.00 0.00 H new ATOM 1130 N ALA A 67 -6.635 1.833 -7.870 1.00 0.00 N ATOM 1131 CA ALA A 67 -5.579 2.059 -8.847 1.00 0.00 C ATOM 1132 C ALA A 67 -4.237 2.218 -8.143 1.00 0.00 C ATOM 1133 O ALA A 67 -3.244 1.588 -8.513 1.00 0.00 O ATOM 1134 CB ALA A 67 -5.890 3.285 -9.692 1.00 0.00 C ATOM 0 H ALA A 67 -7.226 2.645 -7.689 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.523 1.194 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.091 3.440 -10.417 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.833 3.135 -10.218 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.970 4.160 -9.048 1.00 0.00 H new ATOM 1140 N ALA A 68 -4.221 3.056 -7.108 1.00 0.00 N ATOM 1141 CA ALA A 68 -3.010 3.287 -6.331 1.00 0.00 C ATOM 1142 C ALA A 68 -2.449 1.965 -5.827 1.00 0.00 C ATOM 1143 O ALA A 68 -1.236 1.793 -5.712 1.00 0.00 O ATOM 1144 CB ALA A 68 -3.296 4.229 -5.169 1.00 0.00 C ATOM 0 H ALA A 68 -5.033 3.585 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.265 3.755 -6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.381 4.391 -4.599 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.658 5.182 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.054 3.788 -4.521 1.00 0.00 H new ATOM 1150 N LEU A 69 -3.348 1.027 -5.543 1.00 0.00 N ATOM 1151 CA LEU A 69 -2.952 -0.290 -5.073 1.00 0.00 C ATOM 1152 C LEU A 69 -2.139 -0.996 -6.142 1.00 0.00 C ATOM 1153 O LEU A 69 -1.029 -1.461 -5.885 1.00 0.00 O ATOM 1154 CB LEU A 69 -4.181 -1.117 -4.714 1.00 0.00 C ATOM 1155 CG LEU A 69 -4.735 -0.844 -3.321 1.00 0.00 C ATOM 1156 CD1 LEU A 69 -6.237 -1.082 -3.281 1.00 0.00 C ATOM 1157 CD2 LEU A 69 -4.020 -1.707 -2.296 1.00 0.00 C ATOM 0 H LEU A 69 -4.356 1.158 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.339 -0.175 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.963 -0.922 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.928 -2.174 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.558 0.203 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.611 -0.881 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.730 -0.418 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.448 -2.118 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.424 -1.504 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.168 -2.759 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.954 -1.478 -2.308 1.00 0.00 H new ATOM 1169 N GLU A 70 -2.692 -1.053 -7.352 1.00 0.00 N ATOM 1170 CA GLU A 70 -2.008 -1.678 -8.478 1.00 0.00 C ATOM 1171 C GLU A 70 -0.547 -1.249 -8.492 1.00 0.00 C ATOM 1172 O GLU A 70 0.337 -2.021 -8.859 1.00 0.00 O ATOM 1173 CB GLU A 70 -2.684 -1.299 -9.797 1.00 0.00 C ATOM 1174 CG GLU A 70 -4.168 -1.625 -9.835 1.00 0.00 C ATOM 1175 CD GLU A 70 -4.697 -1.767 -11.249 1.00 0.00 C ATOM 1176 OE1 GLU A 70 -4.473 -0.847 -12.063 1.00 0.00 O ATOM 1177 OE2 GLU A 70 -5.338 -2.799 -11.543 1.00 0.00 O ATOM 0 H GLU A 70 -3.612 -0.673 -7.576 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.063 -2.761 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.550 -0.231 -9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.185 -1.820 -10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.347 -2.551 -9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.722 -0.840 -9.321 1.00 0.00 H new ATOM 1184 N GLU A 71 -0.303 -0.016 -8.052 1.00 0.00 N ATOM 1185 CA GLU A 71 1.053 0.506 -7.976 1.00 0.00 C ATOM 1186 C GLU A 71 1.857 -0.329 -6.984 1.00 0.00 C ATOM 1187 O GLU A 71 2.913 -0.865 -7.319 1.00 0.00 O ATOM 1188 CB GLU A 71 1.042 1.975 -7.549 1.00 0.00 C ATOM 1189 CG GLU A 71 -0.033 2.803 -8.239 1.00 0.00 C ATOM 1190 CD GLU A 71 -0.023 2.635 -9.746 1.00 0.00 C ATOM 1191 OE1 GLU A 71 1.010 2.189 -10.287 1.00 0.00 O ATOM 1192 OE2 GLU A 71 -1.050 2.949 -10.385 1.00 0.00 O ATOM 0 H GLU A 71 -1.026 0.635 -7.745 1.00 0.00 H new ATOM 0 HA GLU A 71 1.516 0.445 -8.961 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.894 2.030 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.017 2.413 -7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.011 2.517 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.111 3.855 -7.994 1.00 0.00 H new ATOM 1199 N ALA A 72 1.329 -0.457 -5.766 1.00 0.00 N ATOM 1200 CA ALA A 72 1.977 -1.252 -4.735 1.00 0.00 C ATOM 1201 C ALA A 72 2.072 -2.709 -5.175 1.00 0.00 C ATOM 1202 O ALA A 72 3.149 -3.304 -5.162 1.00 0.00 O ATOM 1203 CB ALA A 72 1.210 -1.142 -3.426 1.00 0.00 C ATOM 0 H ALA A 72 0.455 -0.019 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 72 2.986 -0.870 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.705 -1.742 -2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.182 -0.100 -3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.192 -1.505 -3.569 1.00 0.00 H new ATOM 1209 N ASN A 73 0.934 -3.274 -5.579 1.00 0.00 N ATOM 1210 CA ASN A 73 0.891 -4.659 -6.038 1.00 0.00 C ATOM 1211 C ASN A 73 1.860 -4.867 -7.196 1.00 0.00 C ATOM 1212 O ASN A 73 2.543 -5.887 -7.274 1.00 0.00 O ATOM 1213 CB ASN A 73 -0.526 -5.034 -6.477 1.00 0.00 C ATOM 1214 CG ASN A 73 -0.781 -6.526 -6.383 1.00 0.00 C ATOM 1215 OD1 ASN A 73 -0.175 -7.221 -5.567 1.00 0.00 O ATOM 1216 ND2 ASN A 73 -1.682 -7.026 -7.219 1.00 0.00 N ATOM 0 H ASN A 73 0.034 -2.795 -5.597 1.00 0.00 H new ATOM 0 HA ASN A 73 1.187 -5.302 -5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.249 -4.504 -5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.685 -4.704 -7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.896 -8.023 -7.201 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.161 -6.413 -7.879 1.00 0.00 H new ATOM 1223 N GLY A 74 1.914 -3.886 -8.092 1.00 0.00 N ATOM 1224 CA GLY A 74 2.804 -3.973 -9.233 1.00 0.00 C ATOM 1225 C GLY A 74 4.258 -3.866 -8.827 1.00 0.00 C ATOM 1226 O GLY A 74 5.110 -4.594 -9.337 1.00 0.00 O ATOM 0 H GLY A 74 1.357 -3.033 -8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.640 -4.919 -9.749 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.566 -3.179 -9.940 1.00 0.00 H new ATOM 1230 N GLU A 75 4.540 -2.958 -7.898 1.00 0.00 N ATOM 1231 CA GLU A 75 5.898 -2.763 -7.413 1.00 0.00 C ATOM 1232 C GLU A 75 6.364 -3.995 -6.643 1.00 0.00 C ATOM 1233 O GLU A 75 7.526 -4.394 -6.726 1.00 0.00 O ATOM 1234 CB GLU A 75 5.970 -1.499 -6.542 1.00 0.00 C ATOM 1235 CG GLU A 75 5.901 -1.757 -5.043 1.00 0.00 C ATOM 1236 CD GLU A 75 7.246 -2.137 -4.459 1.00 0.00 C ATOM 1237 OE1 GLU A 75 8.269 -1.597 -4.929 1.00 0.00 O ATOM 1238 OE2 GLU A 75 7.276 -2.975 -3.533 1.00 0.00 O ATOM 0 H GLU A 75 3.846 -2.347 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 75 6.567 -2.626 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.898 -0.973 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.152 -0.834 -6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.529 -0.864 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.185 -2.555 -4.847 1.00 0.00 H new ATOM 1245 N ILE A 76 5.436 -4.603 -5.910 1.00 0.00 N ATOM 1246 CA ILE A 76 5.727 -5.801 -5.140 1.00 0.00 C ATOM 1247 C ILE A 76 5.784 -7.015 -6.061 1.00 0.00 C ATOM 1248 O ILE A 76 6.490 -7.985 -5.790 1.00 0.00 O ATOM 1249 CB ILE A 76 4.659 -6.038 -4.053 1.00 0.00 C ATOM 1250 CG1 ILE A 76 4.624 -4.866 -3.076 1.00 0.00 C ATOM 1251 CG2 ILE A 76 4.927 -7.339 -3.308 1.00 0.00 C ATOM 1252 CD1 ILE A 76 3.335 -4.779 -2.290 1.00 0.00 C ATOM 0 H ILE A 76 4.471 -4.281 -5.835 1.00 0.00 H new ATOM 0 HA ILE A 76 6.693 -5.659 -4.656 1.00 0.00 H new ATOM 0 HB ILE A 76 3.687 -6.115 -4.541 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.459 -4.956 -2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.768 -3.937 -3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.162 -7.486 -2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.904 -8.172 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.907 -7.291 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.377 -3.924 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.497 -4.658 -2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.200 -5.692 -1.711 1.00 0.00 H new ATOM 1264 N GLU A 77 5.031 -6.947 -7.155 1.00 0.00 N ATOM 1265 CA GLU A 77 4.990 -8.032 -8.127 1.00 0.00 C ATOM 1266 C GLU A 77 6.209 -7.977 -9.041 1.00 0.00 C ATOM 1267 O GLU A 77 6.814 -9.004 -9.349 1.00 0.00 O ATOM 1268 CB GLU A 77 3.707 -7.951 -8.957 1.00 0.00 C ATOM 1269 CG GLU A 77 3.593 -9.039 -10.013 1.00 0.00 C ATOM 1270 CD GLU A 77 2.967 -10.311 -9.473 1.00 0.00 C ATOM 1271 OE1 GLU A 77 2.325 -10.250 -8.404 1.00 0.00 O ATOM 1272 OE2 GLU A 77 3.121 -11.368 -10.121 1.00 0.00 O ATOM 0 H GLU A 77 4.440 -6.149 -7.390 1.00 0.00 H new ATOM 0 HA GLU A 77 5.002 -8.979 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.848 -8.014 -8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.661 -6.977 -9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.996 -8.670 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.584 -9.264 -10.406 1.00 0.00 H new ATOM 1279 N LYS A 78 6.564 -6.770 -9.470 1.00 0.00 N ATOM 1280 CA LYS A 78 7.714 -6.577 -10.347 1.00 0.00 C ATOM 1281 C LYS A 78 9.024 -6.797 -9.594 1.00 0.00 C ATOM 1282 O LYS A 78 10.072 -7.008 -10.205 1.00 0.00 O ATOM 1283 CB LYS A 78 7.690 -5.172 -10.952 1.00 0.00 C ATOM 1284 CG LYS A 78 8.766 -4.942 -12.001 1.00 0.00 C ATOM 1285 CD LYS A 78 9.505 -3.633 -11.768 1.00 0.00 C ATOM 1286 CE LYS A 78 10.542 -3.767 -10.664 1.00 0.00 C ATOM 1287 NZ LYS A 78 11.926 -3.848 -11.207 1.00 0.00 N ATOM 0 H LYS A 78 6.072 -5.911 -9.225 1.00 0.00 H new ATOM 0 HA LYS A 78 7.652 -7.313 -11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.713 -4.996 -11.401 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.810 -4.440 -10.154 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.476 -5.769 -11.983 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.313 -4.933 -12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.993 -3.320 -12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.791 -2.853 -11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.466 -2.914 -9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.331 -4.659 -10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.605 -3.904 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.016 -4.695 -11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.126 -3.001 -11.776 1.00 0.00 H new ATOM 1301 N PHE A 79 8.961 -6.747 -8.265 1.00 0.00 N ATOM 1302 CA PHE A 79 10.147 -6.941 -7.438 1.00 0.00 C ATOM 1303 C PHE A 79 10.219 -8.367 -6.895 1.00 0.00 C ATOM 1304 O PHE A 79 11.060 -8.672 -6.048 1.00 0.00 O ATOM 1305 CB PHE A 79 10.149 -5.946 -6.276 1.00 0.00 C ATOM 1306 CG PHE A 79 10.716 -4.597 -6.627 1.00 0.00 C ATOM 1307 CD1 PHE A 79 11.850 -4.487 -7.417 1.00 0.00 C ATOM 1308 CD2 PHE A 79 10.114 -3.440 -6.159 1.00 0.00 C ATOM 1309 CE1 PHE A 79 12.370 -3.247 -7.735 1.00 0.00 C ATOM 1310 CE2 PHE A 79 10.631 -2.197 -6.473 1.00 0.00 C ATOM 1311 CZ PHE A 79 11.761 -2.101 -7.262 1.00 0.00 C ATOM 0 H PHE A 79 8.103 -6.574 -7.740 1.00 0.00 H new ATOM 0 HA PHE A 79 11.022 -6.769 -8.065 1.00 0.00 H new ATOM 0 HB2 PHE A 79 9.127 -5.818 -5.919 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.724 -6.367 -5.451 1.00 0.00 H new ATOM 0 HD1 PHE A 79 12.332 -5.380 -7.788 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.231 -3.510 -5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.252 -3.174 -8.353 1.00 0.00 H new ATOM 0 HE2 PHE A 79 10.152 -1.303 -6.102 1.00 0.00 H new ATOM 0 HZ PHE A 79 12.168 -1.131 -7.509 1.00 0.00 H new ATOM 1321 N SER A 80 9.334 -9.237 -7.376 1.00 0.00 N ATOM 1322 CA SER A 80 9.305 -10.623 -6.925 1.00 0.00 C ATOM 1323 C SER A 80 10.592 -11.350 -7.304 1.00 0.00 C ATOM 1324 O SER A 80 11.106 -12.161 -6.535 1.00 0.00 O ATOM 1325 CB SER A 80 8.100 -11.351 -7.522 1.00 0.00 C ATOM 1326 OG SER A 80 8.261 -11.546 -8.917 1.00 0.00 O ATOM 0 H SER A 80 8.630 -9.006 -8.076 1.00 0.00 H new ATOM 0 HA SER A 80 9.219 -10.621 -5.838 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.973 -12.315 -7.029 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.194 -10.775 -7.334 1.00 0.00 H new ATOM 0 HG SER A 80 7.848 -10.801 -9.401 1.00 0.00 H new ATOM 1332 N ASN A 81 11.106 -11.053 -8.492 1.00 0.00 N ATOM 1333 CA ASN A 81 12.333 -11.681 -8.969 1.00 0.00 C ATOM 1334 C ASN A 81 13.553 -11.089 -8.272 1.00 0.00 C ATOM 1335 O ASN A 81 13.741 -9.872 -8.256 1.00 0.00 O ATOM 1336 CB ASN A 81 12.465 -11.513 -10.483 1.00 0.00 C ATOM 1337 CG ASN A 81 11.524 -12.422 -11.249 1.00 0.00 C ATOM 1338 OD1 ASN A 81 10.968 -13.369 -10.693 1.00 0.00 O ATOM 1339 ND2 ASN A 81 11.343 -12.139 -12.534 1.00 0.00 N ATOM 0 H ASN A 81 10.694 -10.383 -9.141 1.00 0.00 H new ATOM 0 HA ASN A 81 12.281 -12.744 -8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 81 12.262 -10.476 -10.750 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.492 -11.723 -10.781 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.723 -12.717 -13.101 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.824 -11.344 -12.954 1.00 0.00 H new ATOM 1346 N ARG A 82 14.379 -11.957 -7.694 1.00 0.00 N ATOM 1347 CA ARG A 82 15.582 -11.519 -6.996 1.00 0.00 C ATOM 1348 C ARG A 82 16.455 -10.659 -7.904 1.00 0.00 C ATOM 1349 O ARG A 82 17.140 -9.748 -7.442 1.00 0.00 O ATOM 1350 CB ARG A 82 16.376 -12.729 -6.498 1.00 0.00 C ATOM 1351 CG ARG A 82 16.927 -13.598 -7.618 1.00 0.00 C ATOM 1352 CD ARG A 82 16.683 -15.077 -7.355 1.00 0.00 C ATOM 1353 NE ARG A 82 17.902 -15.868 -7.507 1.00 0.00 N ATOM 1354 CZ ARG A 82 17.913 -17.182 -7.713 1.00 0.00 C ATOM 1355 NH1 ARG A 82 16.773 -17.859 -7.791 1.00 0.00 N ATOM 1356 NH2 ARG A 82 19.066 -17.824 -7.842 1.00 0.00 N ATOM 0 H ARG A 82 14.237 -12.967 -7.696 1.00 0.00 H new ATOM 0 HA ARG A 82 15.278 -10.916 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.203 -12.381 -5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.734 -13.337 -5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.461 -13.314 -8.562 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.997 -13.419 -7.725 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.290 -15.206 -6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.923 -15.447 -8.043 1.00 0.00 H new ATOM 0 HE ARG A 82 18.798 -15.384 -7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.883 -17.371 -7.693 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.788 -18.867 -7.949 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.945 -17.310 -7.783 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.074 -18.832 -8.000 1.00 0.00 H new ATOM 1370 N SER A 83 16.420 -10.954 -9.200 1.00 0.00 N ATOM 1371 CA SER A 83 17.203 -10.204 -10.173 1.00 0.00 C ATOM 1372 C SER A 83 16.686 -8.775 -10.288 1.00 0.00 C ATOM 1373 O SER A 83 17.459 -7.836 -10.479 1.00 0.00 O ATOM 1374 CB SER A 83 17.151 -10.890 -11.540 1.00 0.00 C ATOM 1375 OG SER A 83 17.813 -12.143 -11.508 1.00 0.00 O ATOM 0 H SER A 83 15.858 -11.706 -9.599 1.00 0.00 H new ATOM 0 HA SER A 83 18.238 -10.175 -9.831 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.113 -11.031 -11.840 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.615 -10.249 -12.290 1.00 0.00 H new ATOM 0 HG SER A 83 17.764 -12.562 -12.393 1.00 0.00 H new ATOM 1381 N ASN A 84 15.372 -8.618 -10.165 1.00 0.00 N ATOM 1382 CA ASN A 84 14.747 -7.305 -10.249 1.00 0.00 C ATOM 1383 C ASN A 84 15.156 -6.435 -9.066 1.00 0.00 C ATOM 1384 O ASN A 84 15.261 -5.217 -9.187 1.00 0.00 O ATOM 1385 CB ASN A 84 13.225 -7.441 -10.289 1.00 0.00 C ATOM 1386 CG ASN A 84 12.707 -7.737 -11.682 1.00 0.00 C ATOM 1387 OD1 ASN A 84 13.283 -7.300 -12.679 1.00 0.00 O ATOM 1388 ND2 ASN A 84 11.613 -8.484 -11.758 1.00 0.00 N ATOM 0 H ASN A 84 14.719 -9.386 -10.007 1.00 0.00 H new ATOM 0 HA ASN A 84 15.086 -6.827 -11.168 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.916 -8.238 -9.613 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.771 -6.520 -9.924 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.217 -8.717 -12.669 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.168 -8.825 -10.906 1.00 0.00 H new ATOM 1395 N ILE A 85 15.387 -7.072 -7.923 1.00 0.00 N ATOM 1396 CA ILE A 85 15.787 -6.361 -6.714 1.00 0.00 C ATOM 1397 C ILE A 85 17.264 -5.984 -6.763 1.00 0.00 C ATOM 1398 O ILE A 85 17.616 -4.804 -6.802 1.00 0.00 O ATOM 1399 CB ILE A 85 15.532 -7.216 -5.457 1.00 0.00 C ATOM 1400 CG1 ILE A 85 14.050 -7.597 -5.370 1.00 0.00 C ATOM 1401 CG2 ILE A 85 15.987 -6.482 -4.198 1.00 0.00 C ATOM 1402 CD1 ILE A 85 13.149 -6.498 -4.842 1.00 0.00 C ATOM 0 H ILE A 85 15.304 -8.082 -7.808 1.00 0.00 H new ATOM 0 HA ILE A 85 15.184 -5.454 -6.662 1.00 0.00 H new ATOM 0 HB ILE A 85 16.118 -8.132 -5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.704 -7.888 -6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.950 -8.472 -4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.797 -7.106 -3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 85 17.054 -6.269 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.436 -5.546 -4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.119 -6.854 -4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.464 -6.221 -3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.215 -5.628 -5.496 1.00 0.00 H new ATOM 1414 N CYS A 86 18.123 -6.997 -6.756 1.00 0.00 N ATOM 1415 CA CYS A 86 19.567 -6.787 -6.794 1.00 0.00 C ATOM 1416 C CYS A 86 19.956 -5.794 -7.887 1.00 0.00 C ATOM 1417 O CYS A 86 20.963 -5.096 -7.773 1.00 0.00 O ATOM 1418 CB CYS A 86 20.291 -8.116 -7.020 1.00 0.00 C ATOM 1419 SG CYS A 86 19.823 -9.418 -5.856 1.00 0.00 S ATOM 0 H CYS A 86 17.843 -7.977 -6.724 1.00 0.00 H new ATOM 0 HA CYS A 86 19.867 -6.371 -5.832 1.00 0.00 H new ATOM 0 HB2 CYS A 86 20.088 -8.460 -8.034 1.00 0.00 H new ATOM 0 HB3 CYS A 86 21.366 -7.949 -6.949 1.00 0.00 H new ATOM 0 HG CYS A 86 18.651 -9.883 -6.173 1.00 0.00 H new ATOM 1425 N ARG A 87 19.152 -5.737 -8.944 1.00 0.00 N ATOM 1426 CA ARG A 87 19.420 -4.828 -10.052 1.00 0.00 C ATOM 1427 C ARG A 87 18.869 -3.432 -9.759 1.00 0.00 C ATOM 1428 O ARG A 87 19.376 -2.437 -10.275 1.00 0.00 O ATOM 1429 CB ARG A 87 18.821 -5.377 -11.353 1.00 0.00 C ATOM 1430 CG ARG A 87 17.320 -5.161 -11.484 1.00 0.00 C ATOM 1431 CD ARG A 87 16.995 -4.142 -12.565 1.00 0.00 C ATOM 1432 NE ARG A 87 15.561 -4.068 -12.834 1.00 0.00 N ATOM 1433 CZ ARG A 87 14.902 -4.942 -13.591 1.00 0.00 C ATOM 1434 NH1 ARG A 87 15.542 -5.959 -14.154 1.00 0.00 N ATOM 1435 NH2 ARG A 87 13.598 -4.800 -13.784 1.00 0.00 N ATOM 0 H ARG A 87 18.313 -6.307 -9.056 1.00 0.00 H new ATOM 0 HA ARG A 87 20.501 -4.749 -10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 87 19.321 -4.904 -12.199 1.00 0.00 H new ATOM 0 HB3 ARG A 87 19.031 -6.445 -11.415 1.00 0.00 H new ATOM 0 HG2 ARG A 87 16.834 -6.108 -11.718 1.00 0.00 H new ATOM 0 HG3 ARG A 87 16.916 -4.822 -10.530 1.00 0.00 H new ATOM 0 HD2 ARG A 87 17.358 -3.161 -12.259 1.00 0.00 H new ATOM 0 HD3 ARG A 87 17.523 -4.405 -13.482 1.00 0.00 H new ATOM 0 HE ARG A 87 15.034 -3.301 -12.417 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.545 -6.074 -14.008 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.031 -6.625 -14.733 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.100 -4.021 -13.352 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.092 -5.470 -14.364 1.00 0.00 H new ATOM 1449 N PHE A 88 17.833 -3.368 -8.927 1.00 0.00 N ATOM 1450 CA PHE A 88 17.223 -2.095 -8.569 1.00 0.00 C ATOM 1451 C PHE A 88 17.976 -1.440 -7.413 1.00 0.00 C ATOM 1452 O PHE A 88 18.197 -0.232 -7.412 1.00 0.00 O ATOM 1453 CB PHE A 88 15.738 -2.297 -8.211 1.00 0.00 C ATOM 1454 CG PHE A 88 15.349 -1.766 -6.858 1.00 0.00 C ATOM 1455 CD1 PHE A 88 15.454 -0.413 -6.573 1.00 0.00 C ATOM 1456 CD2 PHE A 88 14.897 -2.622 -5.867 1.00 0.00 C ATOM 1457 CE1 PHE A 88 15.118 0.073 -5.326 1.00 0.00 C ATOM 1458 CE2 PHE A 88 14.558 -2.144 -4.626 1.00 0.00 C ATOM 1459 CZ PHE A 88 14.672 -0.793 -4.351 1.00 0.00 C ATOM 0 H PHE A 88 17.401 -4.182 -8.490 1.00 0.00 H new ATOM 0 HA PHE A 88 17.283 -1.428 -9.429 1.00 0.00 H new ATOM 0 HB2 PHE A 88 15.124 -1.811 -8.969 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.509 -3.362 -8.250 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.803 0.268 -7.335 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.810 -3.679 -6.074 1.00 0.00 H new ATOM 0 HE1 PHE A 88 15.204 1.129 -5.115 1.00 0.00 H new ATOM 0 HE2 PHE A 88 14.202 -2.822 -3.864 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.412 -0.417 -3.373 1.00 0.00 H new ATOM 1469 N LEU A 89 18.354 -2.239 -6.420 1.00 0.00 N ATOM 1470 CA LEU A 89 19.067 -1.718 -5.257 1.00 0.00 C ATOM 1471 C LEU A 89 20.370 -1.037 -5.668 1.00 0.00 C ATOM 1472 O LEU A 89 20.699 0.041 -5.174 1.00 0.00 O ATOM 1473 CB LEU A 89 19.364 -2.841 -4.257 1.00 0.00 C ATOM 1474 CG LEU A 89 18.147 -3.638 -3.775 1.00 0.00 C ATOM 1475 CD1 LEU A 89 18.551 -4.594 -2.663 1.00 0.00 C ATOM 1476 CD2 LEU A 89 17.041 -2.708 -3.296 1.00 0.00 C ATOM 0 H LEU A 89 18.180 -3.244 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 89 18.424 -0.978 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 89 20.071 -3.533 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.859 -2.408 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 89 17.764 -4.216 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.677 -5.154 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.306 -5.287 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.960 -4.027 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.189 -3.299 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.410 -2.099 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.731 -2.059 -4.115 1.00 0.00 H new ATOM 1488 N THR A 90 21.109 -1.673 -6.571 1.00 0.00 N ATOM 1489 CA THR A 90 22.378 -1.128 -7.041 1.00 0.00 C ATOM 1490 C THR A 90 22.154 -0.029 -8.077 1.00 0.00 C ATOM 1491 O THR A 90 22.909 0.941 -8.139 1.00 0.00 O ATOM 1492 CB THR A 90 23.242 -2.237 -7.639 1.00 0.00 C ATOM 1493 OG1 THR A 90 24.490 -1.724 -8.070 1.00 0.00 O ATOM 1494 CG2 THR A 90 22.596 -2.928 -8.822 1.00 0.00 C ATOM 0 H THR A 90 20.851 -2.566 -6.992 1.00 0.00 H new ATOM 0 HA THR A 90 22.894 -0.693 -6.185 1.00 0.00 H new ATOM 0 HB THR A 90 23.370 -2.966 -6.839 1.00 0.00 H new ATOM 0 HG1 THR A 90 25.029 -2.450 -8.448 1.00 0.00 H new ATOM 0 HG21 THR A 90 23.262 -3.704 -9.198 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.654 -3.379 -8.510 1.00 0.00 H new ATOM 0 HG23 THR A 90 22.406 -2.199 -9.610 1.00 0.00 H new ATOM 1502 N ALA A 91 21.115 -0.190 -8.888 1.00 0.00 N ATOM 1503 CA ALA A 91 20.795 0.785 -9.925 1.00 0.00 C ATOM 1504 C ALA A 91 20.070 1.995 -9.344 1.00 0.00 C ATOM 1505 O ALA A 91 20.145 3.096 -9.890 1.00 0.00 O ATOM 1506 CB ALA A 91 19.950 0.137 -11.010 1.00 0.00 C ATOM 0 H ALA A 91 20.479 -0.987 -8.848 1.00 0.00 H new ATOM 0 HA ALA A 91 21.732 1.133 -10.361 1.00 0.00 H new ATOM 0 HB1 ALA A 91 19.717 0.874 -11.779 1.00 0.00 H new ATOM 0 HB2 ALA A 91 20.502 -0.690 -11.456 1.00 0.00 H new ATOM 0 HB3 ALA A 91 19.024 -0.238 -10.575 1.00 0.00 H new ATOM 1512 N SER A 92 19.364 1.783 -8.239 1.00 0.00 N ATOM 1513 CA SER A 92 18.619 2.854 -7.589 1.00 0.00 C ATOM 1514 C SER A 92 17.577 3.441 -8.538 1.00 0.00 C ATOM 1515 O SER A 92 17.697 4.586 -8.974 1.00 0.00 O ATOM 1516 CB SER A 92 19.573 3.951 -7.113 1.00 0.00 C ATOM 1517 OG SER A 92 18.863 5.129 -6.768 1.00 0.00 O ATOM 0 H SER A 92 19.292 0.878 -7.774 1.00 0.00 H new ATOM 0 HA SER A 92 18.103 2.435 -6.725 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.138 3.597 -6.251 1.00 0.00 H new ATOM 0 HB3 SER A 92 20.296 4.175 -7.898 1.00 0.00 H new ATOM 0 HG SER A 92 18.455 5.513 -7.572 1.00 0.00 H new ATOM 1523 N GLN A 93 16.558 2.648 -8.858 1.00 0.00 N ATOM 1524 CA GLN A 93 15.502 3.095 -9.761 1.00 0.00 C ATOM 1525 C GLN A 93 14.823 4.349 -9.223 1.00 0.00 C ATOM 1526 O GLN A 93 14.720 5.358 -9.922 1.00 0.00 O ATOM 1527 CB GLN A 93 14.463 1.990 -9.962 1.00 0.00 C ATOM 1528 CG GLN A 93 15.069 0.607 -10.124 1.00 0.00 C ATOM 1529 CD GLN A 93 14.316 -0.247 -11.126 1.00 0.00 C ATOM 1530 OE1 GLN A 93 14.913 -0.844 -12.022 1.00 0.00 O ATOM 1531 NE2 GLN A 93 12.998 -0.308 -10.980 1.00 0.00 N ATOM 0 H GLN A 93 16.441 1.697 -8.507 1.00 0.00 H new ATOM 0 HA GLN A 93 15.960 3.330 -10.722 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.784 1.982 -9.110 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.865 2.221 -10.844 1.00 0.00 H new ATOM 0 HG2 GLN A 93 16.107 0.704 -10.443 1.00 0.00 H new ATOM 0 HG3 GLN A 93 15.078 0.103 -9.157 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.545 0.203 -10.223 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.439 -0.866 -11.625 1.00 0.00 H new ATOM 1540 N ASP A 94 14.363 4.284 -7.978 1.00 0.00 N ATOM 1541 CA ASP A 94 13.699 5.421 -7.355 1.00 0.00 C ATOM 1542 C ASP A 94 14.222 5.660 -5.939 1.00 0.00 C ATOM 1543 O ASP A 94 13.697 6.505 -5.215 1.00 0.00 O ATOM 1544 CB ASP A 94 12.190 5.189 -7.319 1.00 0.00 C ATOM 1545 CG ASP A 94 11.477 5.836 -8.490 1.00 0.00 C ATOM 1546 OD1 ASP A 94 11.471 7.083 -8.566 1.00 0.00 O ATOM 1547 OD2 ASP A 94 10.924 5.096 -9.331 1.00 0.00 O ATOM 0 H ASP A 94 14.438 3.459 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 94 13.916 6.307 -7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.990 4.118 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.786 5.586 -6.387 1.00 0.00 H new ATOM 1552 N LYS A 95 15.249 4.900 -5.545 1.00 0.00 N ATOM 1553 CA LYS A 95 15.838 5.014 -4.213 1.00 0.00 C ATOM 1554 C LYS A 95 15.026 4.222 -3.192 1.00 0.00 C ATOM 1555 O LYS A 95 15.505 3.946 -2.095 1.00 0.00 O ATOM 1556 CB LYS A 95 15.946 6.479 -3.775 1.00 0.00 C ATOM 1557 CG LYS A 95 16.411 7.414 -4.881 1.00 0.00 C ATOM 1558 CD LYS A 95 17.782 7.998 -4.581 1.00 0.00 C ATOM 1559 CE LYS A 95 17.672 9.325 -3.847 1.00 0.00 C ATOM 1560 NZ LYS A 95 17.621 10.478 -4.788 1.00 0.00 N ATOM 0 H LYS A 95 15.690 4.196 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 95 16.844 4.597 -4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.974 6.814 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.639 6.548 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.445 6.872 -5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.689 8.222 -5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 95 18.355 7.294 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 95 18.330 8.140 -5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.776 9.323 -3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 95 18.524 9.441 -3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.546 11.364 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.487 10.495 -5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.794 10.381 -5.411 1.00 0.00 H new ATOM 1574 N ILE A 96 13.796 3.856 -3.558 1.00 0.00 N ATOM 1575 CA ILE A 96 12.925 3.095 -2.673 1.00 0.00 C ATOM 1576 C ILE A 96 11.866 2.335 -3.468 1.00 0.00 C ATOM 1577 O ILE A 96 11.174 2.903 -4.312 1.00 0.00 O ATOM 1578 CB ILE A 96 12.212 4.006 -1.660 1.00 0.00 C ATOM 1579 CG1 ILE A 96 13.203 4.972 -1.009 1.00 0.00 C ATOM 1580 CG2 ILE A 96 11.491 3.171 -0.610 1.00 0.00 C ATOM 1581 CD1 ILE A 96 12.591 5.828 0.074 1.00 0.00 C ATOM 0 H ILE A 96 13.384 4.077 -4.464 1.00 0.00 H new ATOM 0 HA ILE A 96 13.563 2.391 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 96 11.468 4.599 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 96 14.029 4.401 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.624 5.620 -1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.991 3.831 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.752 2.534 -1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 96 12.213 2.549 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 96 13.352 6.488 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.783 6.426 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.195 5.189 0.863 1.00 0.00 H new ATOM 1593 N LEU A 97 11.759 1.043 -3.191 1.00 0.00 N ATOM 1594 CA LEU A 97 10.804 0.167 -3.863 1.00 0.00 C ATOM 1595 C LEU A 97 9.422 0.807 -4.042 1.00 0.00 C ATOM 1596 O LEU A 97 9.066 1.220 -5.146 1.00 0.00 O ATOM 1597 CB LEU A 97 10.684 -1.138 -3.079 1.00 0.00 C ATOM 1598 CG LEU A 97 12.001 -1.898 -2.942 1.00 0.00 C ATOM 1599 CD1 LEU A 97 12.404 -2.037 -1.487 1.00 0.00 C ATOM 1600 CD2 LEU A 97 11.924 -3.263 -3.605 1.00 0.00 C ATOM 0 H LEU A 97 12.332 0.570 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 97 11.185 -0.024 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.297 -0.919 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.954 -1.781 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 97 12.767 -1.316 -3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 97 13.345 -2.582 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 97 12.526 -1.047 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.630 -2.582 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.878 -3.778 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.135 -3.851 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.704 -3.140 -4.666 1.00 0.00 H new ATOM 1612 N PHE A 98 8.634 0.863 -2.968 1.00 0.00 N ATOM 1613 CA PHE A 98 7.284 1.423 -3.049 1.00 0.00 C ATOM 1614 C PHE A 98 7.183 2.814 -2.419 1.00 0.00 C ATOM 1615 O PHE A 98 6.211 3.122 -1.731 1.00 0.00 O ATOM 1616 CB PHE A 98 6.274 0.470 -2.398 1.00 0.00 C ATOM 1617 CG PHE A 98 6.239 0.535 -0.896 1.00 0.00 C ATOM 1618 CD1 PHE A 98 7.279 0.019 -0.141 1.00 0.00 C ATOM 1619 CD2 PHE A 98 5.162 1.108 -0.241 1.00 0.00 C ATOM 1620 CE1 PHE A 98 7.246 0.077 1.239 1.00 0.00 C ATOM 1621 CE2 PHE A 98 5.122 1.166 1.139 1.00 0.00 C ATOM 1622 CZ PHE A 98 6.166 0.651 1.880 1.00 0.00 C ATOM 0 H PHE A 98 8.903 0.532 -2.041 1.00 0.00 H new ATOM 0 HA PHE A 98 7.049 1.536 -4.107 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.279 0.696 -2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.509 -0.551 -2.700 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.125 -0.434 -0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.343 1.515 -0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.065 -0.327 1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.275 1.614 1.637 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.138 0.697 2.959 1.00 0.00 H new ATOM 1632 N LYS A 99 8.175 3.659 -2.673 1.00 0.00 N ATOM 1633 CA LYS A 99 8.168 5.016 -2.143 1.00 0.00 C ATOM 1634 C LYS A 99 7.032 5.820 -2.766 1.00 0.00 C ATOM 1635 O LYS A 99 6.252 6.466 -2.067 1.00 0.00 O ATOM 1636 CB LYS A 99 9.515 5.696 -2.415 1.00 0.00 C ATOM 1637 CG LYS A 99 9.408 7.127 -2.917 1.00 0.00 C ATOM 1638 CD LYS A 99 10.767 7.809 -2.955 1.00 0.00 C ATOM 1639 CE LYS A 99 10.792 8.948 -3.962 1.00 0.00 C ATOM 1640 NZ LYS A 99 12.086 9.015 -4.694 1.00 0.00 N ATOM 0 H LYS A 99 8.991 3.429 -3.240 1.00 0.00 H new ATOM 0 HA LYS A 99 8.011 4.971 -1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 99 10.103 5.689 -1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.064 5.107 -3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.970 7.131 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.735 7.691 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.010 8.193 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 99 11.535 7.079 -3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.978 8.819 -4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.618 9.892 -3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.935 9.448 -5.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.762 9.589 -4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.466 8.055 -4.815 1.00 0.00 H new ATOM 1654 N ASP A 100 6.956 5.776 -4.091 1.00 0.00 N ATOM 1655 CA ASP A 100 5.929 6.502 -4.826 1.00 0.00 C ATOM 1656 C ASP A 100 4.535 6.026 -4.438 1.00 0.00 C ATOM 1657 O ASP A 100 3.588 6.808 -4.430 1.00 0.00 O ATOM 1658 CB ASP A 100 6.135 6.332 -6.333 1.00 0.00 C ATOM 1659 CG ASP A 100 7.146 7.315 -6.892 1.00 0.00 C ATOM 1660 OD1 ASP A 100 8.190 7.526 -6.241 1.00 0.00 O ATOM 1661 OD2 ASP A 100 6.893 7.871 -7.981 1.00 0.00 O ATOM 0 H ASP A 100 7.596 5.243 -4.679 1.00 0.00 H new ATOM 0 HA ASP A 100 6.015 7.557 -4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.469 5.315 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.182 6.465 -6.845 1.00 0.00 H new ATOM 1666 N VAL A 101 4.413 4.742 -4.119 1.00 0.00 N ATOM 1667 CA VAL A 101 3.127 4.177 -3.737 1.00 0.00 C ATOM 1668 C VAL A 101 2.721 4.633 -2.352 1.00 0.00 C ATOM 1669 O VAL A 101 1.698 5.287 -2.190 1.00 0.00 O ATOM 1670 CB VAL A 101 3.148 2.647 -3.808 1.00 0.00 C ATOM 1671 CG1 VAL A 101 1.780 2.066 -3.480 1.00 0.00 C ATOM 1672 CG2 VAL A 101 3.592 2.235 -5.193 1.00 0.00 C ATOM 0 H VAL A 101 5.186 4.077 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 101 2.387 4.541 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 101 3.847 2.258 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.823 0.978 -3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.490 2.365 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.046 2.438 -4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.612 1.147 -5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.895 2.631 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.589 2.629 -5.388 1.00 0.00 H new ATOM 1682 N ASN A 102 3.533 4.326 -1.350 1.00 0.00 N ATOM 1683 CA ASN A 102 3.229 4.767 0.002 1.00 0.00 C ATOM 1684 C ASN A 102 2.952 6.272 -0.020 1.00 0.00 C ATOM 1685 O ASN A 102 2.209 6.799 0.807 1.00 0.00 O ATOM 1686 CB ASN A 102 4.387 4.421 0.952 1.00 0.00 C ATOM 1687 CG ASN A 102 5.394 5.547 1.117 1.00 0.00 C ATOM 1688 OD1 ASN A 102 5.064 6.628 1.606 1.00 0.00 O ATOM 1689 ND2 ASN A 102 6.632 5.293 0.713 1.00 0.00 N ATOM 0 H ASN A 102 4.392 3.784 -1.445 1.00 0.00 H new ATOM 0 HA ASN A 102 2.343 4.251 0.372 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.980 4.163 1.929 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.902 3.536 0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.354 6.008 0.802 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.861 4.383 0.313 1.00 0.00 H new ATOM 1696 N ARG A 103 3.550 6.948 -1.006 1.00 0.00 N ATOM 1697 CA ARG A 103 3.376 8.378 -1.186 1.00 0.00 C ATOM 1698 C ARG A 103 2.066 8.683 -1.912 1.00 0.00 C ATOM 1699 O ARG A 103 1.303 9.548 -1.478 1.00 0.00 O ATOM 1700 CB ARG A 103 4.553 8.962 -1.969 1.00 0.00 C ATOM 1701 CG ARG A 103 5.750 9.308 -1.099 1.00 0.00 C ATOM 1702 CD ARG A 103 6.483 10.533 -1.622 1.00 0.00 C ATOM 1703 NE ARG A 103 7.816 10.665 -1.040 1.00 0.00 N ATOM 1704 CZ ARG A 103 8.046 11.096 0.199 1.00 0.00 C ATOM 1705 NH1 ARG A 103 7.035 11.440 0.987 1.00 0.00 N ATOM 1706 NH2 ARG A 103 9.290 11.185 0.650 1.00 0.00 N ATOM 0 H ARG A 103 4.164 6.514 -1.695 1.00 0.00 H new ATOM 0 HA ARG A 103 3.339 8.840 -0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.863 8.247 -2.731 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.222 9.860 -2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.418 9.490 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.434 8.460 -1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.566 10.470 -2.707 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.900 11.427 -1.399 1.00 0.00 H new ATOM 0 HE ARG A 103 8.618 10.412 -1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.076 11.375 0.645 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.217 11.769 1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.071 10.923 0.048 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.466 11.515 1.599 1.00 0.00 H new ATOM 1720 N LYS A 104 1.788 7.967 -3.011 1.00 0.00 N ATOM 1721 CA LYS A 104 0.554 8.194 -3.743 1.00 0.00 C ATOM 1722 C LYS A 104 -0.587 7.506 -3.008 1.00 0.00 C ATOM 1723 O LYS A 104 -1.613 8.114 -2.709 1.00 0.00 O ATOM 1724 CB LYS A 104 0.702 7.696 -5.193 1.00 0.00 C ATOM 1725 CG LYS A 104 -0.291 6.618 -5.618 1.00 0.00 C ATOM 1726 CD LYS A 104 0.367 5.252 -5.753 1.00 0.00 C ATOM 1727 CE LYS A 104 1.586 5.293 -6.666 1.00 0.00 C ATOM 1728 NZ LYS A 104 1.365 6.167 -7.852 1.00 0.00 N ATOM 0 H LYS A 104 2.393 7.243 -3.399 1.00 0.00 H new ATOM 0 HA LYS A 104 0.330 9.259 -3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.597 8.548 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.712 7.308 -5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.097 6.560 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.743 6.897 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.664 4.894 -4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.357 4.538 -6.147 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.448 5.654 -6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.824 4.283 -6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.998 5.872 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.377 6.084 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.566 7.155 -7.597 1.00 0.00 H new ATOM 1742 N LEU A 105 -0.369 6.233 -2.705 1.00 0.00 N ATOM 1743 CA LEU A 105 -1.332 5.417 -1.982 1.00 0.00 C ATOM 1744 C LEU A 105 -1.794 6.126 -0.707 1.00 0.00 C ATOM 1745 O LEU A 105 -2.952 6.009 -0.306 1.00 0.00 O ATOM 1746 CB LEU A 105 -0.692 4.067 -1.641 1.00 0.00 C ATOM 1747 CG LEU A 105 -1.620 3.034 -1.007 1.00 0.00 C ATOM 1748 CD1 LEU A 105 -1.014 1.643 -1.098 1.00 0.00 C ATOM 1749 CD2 LEU A 105 -1.902 3.398 0.439 1.00 0.00 C ATOM 0 H LEU A 105 0.486 5.736 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.208 5.256 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.276 3.642 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.143 4.243 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.562 3.032 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.690 0.921 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.858 1.382 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.058 1.627 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.565 2.653 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.966 3.425 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.378 4.378 0.481 1.00 0.00 H new ATOM 1761 N SER A 106 -0.880 6.866 -0.079 1.00 0.00 N ATOM 1762 CA SER A 106 -1.195 7.596 1.144 1.00 0.00 C ATOM 1763 C SER A 106 -2.227 8.684 0.876 1.00 0.00 C ATOM 1764 O SER A 106 -3.302 8.699 1.477 1.00 0.00 O ATOM 1765 CB SER A 106 0.073 8.223 1.732 1.00 0.00 C ATOM 1766 OG SER A 106 -0.244 9.266 2.638 1.00 0.00 O ATOM 0 H SER A 106 0.083 6.974 -0.398 1.00 0.00 H new ATOM 0 HA SER A 106 -1.611 6.888 1.861 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.657 7.458 2.244 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.696 8.614 0.927 1.00 0.00 H new ATOM 0 HG SER A 106 0.583 9.648 3.000 1.00 0.00 H new ATOM 1772 N ASP A 107 -1.888 9.596 -0.030 1.00 0.00 N ATOM 1773 CA ASP A 107 -2.777 10.699 -0.385 1.00 0.00 C ATOM 1774 C ASP A 107 -4.179 10.199 -0.717 1.00 0.00 C ATOM 1775 O ASP A 107 -5.171 10.880 -0.459 1.00 0.00 O ATOM 1776 CB ASP A 107 -2.212 11.459 -1.581 1.00 0.00 C ATOM 1777 CG ASP A 107 -2.381 12.960 -1.449 1.00 0.00 C ATOM 1778 OD1 ASP A 107 -3.433 13.480 -1.877 1.00 0.00 O ATOM 1779 OD2 ASP A 107 -1.460 13.615 -0.917 1.00 0.00 O ATOM 0 H ASP A 107 -1.001 9.593 -0.534 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.845 11.363 0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.153 11.224 -1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.708 11.120 -2.490 1.00 0.00 H new ATOM 1784 N VAL A 108 -4.251 9.007 -1.296 1.00 0.00 N ATOM 1785 CA VAL A 108 -5.524 8.415 -1.670 1.00 0.00 C ATOM 1786 C VAL A 108 -6.406 8.224 -0.452 1.00 0.00 C ATOM 1787 O VAL A 108 -7.567 8.629 -0.453 1.00 0.00 O ATOM 1788 CB VAL A 108 -5.340 7.054 -2.361 1.00 0.00 C ATOM 1789 CG1 VAL A 108 -6.558 6.707 -3.198 1.00 0.00 C ATOM 1790 CG2 VAL A 108 -4.087 7.042 -3.215 1.00 0.00 C ATOM 0 H VAL A 108 -3.438 8.431 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.997 9.105 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.228 6.297 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.406 5.740 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.438 6.660 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.705 7.472 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.981 6.068 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.161 7.815 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.217 7.235 -2.587 1.00 0.00 H new ATOM 1800 N TRP A 109 -5.855 7.615 0.594 1.00 0.00 N ATOM 1801 CA TRP A 109 -6.632 7.401 1.808 1.00 0.00 C ATOM 1802 C TRP A 109 -7.035 8.742 2.400 1.00 0.00 C ATOM 1803 O TRP A 109 -8.123 8.889 2.948 1.00 0.00 O ATOM 1804 CB TRP A 109 -5.873 6.578 2.854 1.00 0.00 C ATOM 1805 CG TRP A 109 -6.689 6.374 4.098 1.00 0.00 C ATOM 1806 CD1 TRP A 109 -6.331 6.663 5.383 1.00 0.00 C ATOM 1807 CD2 TRP A 109 -8.024 5.860 4.161 1.00 0.00 C ATOM 1808 NE1 TRP A 109 -7.365 6.362 6.240 1.00 0.00 N ATOM 1809 CE2 TRP A 109 -8.416 5.867 5.512 1.00 0.00 C ATOM 1810 CE3 TRP A 109 -8.922 5.397 3.200 1.00 0.00 C ATOM 1811 CZ2 TRP A 109 -9.678 5.429 5.921 1.00 0.00 C ATOM 1812 CZ3 TRP A 109 -10.168 4.964 3.605 1.00 0.00 C ATOM 1813 CH2 TRP A 109 -10.536 4.984 4.953 1.00 0.00 C ATOM 0 H TRP A 109 -4.896 7.269 0.626 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.518 6.830 1.531 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.605 5.610 2.431 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.941 7.083 3.109 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -5.376 7.069 5.683 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.352 6.487 7.252 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.647 5.378 2.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -9.965 5.441 6.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -10.870 4.604 2.868 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -11.520 4.640 5.237 1.00 0.00 H new ATOM 1824 N LYS A 110 -6.156 9.727 2.267 1.00 0.00 N ATOM 1825 CA LYS A 110 -6.439 11.059 2.773 1.00 0.00 C ATOM 1826 C LYS A 110 -7.686 11.610 2.096 1.00 0.00 C ATOM 1827 O LYS A 110 -8.485 12.309 2.712 1.00 0.00 O ATOM 1828 CB LYS A 110 -5.249 11.986 2.520 1.00 0.00 C ATOM 1829 CG LYS A 110 -3.948 11.491 3.133 1.00 0.00 C ATOM 1830 CD LYS A 110 -2.852 12.541 3.037 1.00 0.00 C ATOM 1831 CE LYS A 110 -2.010 12.584 4.301 1.00 0.00 C ATOM 1832 NZ LYS A 110 -2.743 13.212 5.435 1.00 0.00 N ATOM 0 H LYS A 110 -5.247 9.628 1.815 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.611 11.002 3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.113 12.103 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.477 12.973 2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.113 11.230 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.628 10.582 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.214 12.325 2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.299 13.520 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.715 11.571 4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.093 13.141 4.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.083 13.392 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.163 14.111 5.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.496 12.572 5.758 1.00 0.00 H new ATOM 1846 N GLU A 111 -7.842 11.276 0.820 1.00 0.00 N ATOM 1847 CA GLU A 111 -8.986 11.722 0.038 1.00 0.00 C ATOM 1848 C GLU A 111 -10.137 10.726 0.117 1.00 0.00 C ATOM 1849 O GLU A 111 -11.300 11.088 -0.055 1.00 0.00 O ATOM 1850 CB GLU A 111 -8.570 11.913 -1.416 1.00 0.00 C ATOM 1851 CG GLU A 111 -8.748 13.340 -1.902 1.00 0.00 C ATOM 1852 CD GLU A 111 -8.687 13.458 -3.412 1.00 0.00 C ATOM 1853 OE1 GLU A 111 -9.623 12.976 -4.084 1.00 0.00 O ATOM 1854 OE2 GLU A 111 -7.702 14.033 -3.923 1.00 0.00 O ATOM 0 H GLU A 111 -7.184 10.693 0.303 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.331 12.669 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.525 11.624 -1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.156 11.245 -2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.707 13.722 -1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.974 13.968 -1.461 1.00 0.00 H new ATOM 1861 N LEU A 112 -9.805 9.471 0.370 1.00 0.00 N ATOM 1862 CA LEU A 112 -10.808 8.421 0.466 1.00 0.00 C ATOM 1863 C LEU A 112 -11.452 8.435 1.845 1.00 0.00 C ATOM 1864 O LEU A 112 -12.675 8.364 1.976 1.00 0.00 O ATOM 1865 CB LEU A 112 -10.170 7.056 0.186 1.00 0.00 C ATOM 1866 CG LEU A 112 -11.142 5.874 0.123 1.00 0.00 C ATOM 1867 CD1 LEU A 112 -12.326 6.185 -0.768 1.00 0.00 C ATOM 1868 CD2 LEU A 112 -10.436 4.636 -0.387 1.00 0.00 C ATOM 0 H LEU A 112 -8.846 9.153 0.513 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.582 8.602 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.633 7.113 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.430 6.855 0.961 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.507 5.692 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.998 5.327 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.858 7.052 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.975 6.400 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.141 3.805 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.044 4.826 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.614 4.384 0.283 1.00 0.00 H new ATOM 1880 N SER A 113 -10.616 8.540 2.867 1.00 0.00 N ATOM 1881 CA SER A 113 -11.086 8.582 4.243 1.00 0.00 C ATOM 1882 C SER A 113 -11.863 9.865 4.507 1.00 0.00 C ATOM 1883 O SER A 113 -12.943 9.833 5.094 1.00 0.00 O ATOM 1884 CB SER A 113 -9.900 8.479 5.208 1.00 0.00 C ATOM 1885 OG SER A 113 -9.523 9.752 5.704 1.00 0.00 O ATOM 0 H SER A 113 -9.602 8.598 2.768 1.00 0.00 H new ATOM 0 HA SER A 113 -11.752 7.735 4.405 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.162 7.826 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.053 8.020 4.698 1.00 0.00 H new ATOM 0 HG SER A 113 -8.765 9.653 6.318 1.00 0.00 H new ATOM 1891 N LEU A 114 -11.304 10.997 4.079 1.00 0.00 N ATOM 1892 CA LEU A 114 -11.949 12.287 4.286 1.00 0.00 C ATOM 1893 C LEU A 114 -13.275 12.362 3.525 1.00 0.00 C ATOM 1894 O LEU A 114 -14.210 13.029 3.967 1.00 0.00 O ATOM 1895 CB LEU A 114 -10.978 13.429 3.916 1.00 0.00 C ATOM 1896 CG LEU A 114 -11.307 14.280 2.682 1.00 0.00 C ATOM 1897 CD1 LEU A 114 -11.441 13.414 1.447 1.00 0.00 C ATOM 1898 CD2 LEU A 114 -12.566 15.105 2.902 1.00 0.00 C ATOM 0 H LEU A 114 -10.410 11.044 3.590 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.196 12.403 5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.906 14.098 4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.990 12.993 3.768 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.478 14.970 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.674 14.041 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.504 12.887 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.242 12.690 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.773 15.697 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -13.407 14.440 3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.421 15.770 3.754 1.00 0.00 H new ATOM 1910 N LEU A 115 -13.364 11.656 2.397 1.00 0.00 N ATOM 1911 CA LEU A 115 -14.592 11.634 1.609 1.00 0.00 C ATOM 1912 C LEU A 115 -15.600 10.675 2.226 1.00 0.00 C ATOM 1913 O LEU A 115 -16.799 10.956 2.266 1.00 0.00 O ATOM 1914 CB LEU A 115 -14.302 11.207 0.167 1.00 0.00 C ATOM 1915 CG LEU A 115 -13.740 12.303 -0.736 1.00 0.00 C ATOM 1916 CD1 LEU A 115 -13.507 11.771 -2.142 1.00 0.00 C ATOM 1917 CD2 LEU A 115 -14.676 13.500 -0.763 1.00 0.00 C ATOM 0 H LEU A 115 -12.604 11.095 2.012 1.00 0.00 H new ATOM 0 HA LEU A 115 -15.008 12.642 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.596 10.377 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -15.224 10.831 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.781 12.626 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.107 12.567 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.797 10.945 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -14.451 11.420 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -14.261 14.272 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -15.650 13.192 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -14.790 13.896 0.246 1.00 0.00 H new ATOM 1929 N LEU A 116 -15.105 9.538 2.702 1.00 0.00 N ATOM 1930 CA LEU A 116 -15.958 8.528 3.312 1.00 0.00 C ATOM 1931 C LEU A 116 -16.736 9.103 4.490 1.00 0.00 C ATOM 1932 O LEU A 116 -17.958 8.973 4.556 1.00 0.00 O ATOM 1933 CB LEU A 116 -15.121 7.327 3.751 1.00 0.00 C ATOM 1934 CG LEU A 116 -14.943 6.260 2.673 1.00 0.00 C ATOM 1935 CD1 LEU A 116 -13.967 5.186 3.126 1.00 0.00 C ATOM 1936 CD2 LEU A 116 -16.289 5.652 2.319 1.00 0.00 C ATOM 0 H LEU A 116 -14.115 9.293 2.676 1.00 0.00 H new ATOM 0 HA LEU A 116 -16.682 8.197 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.138 7.679 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -15.589 6.871 4.623 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.526 6.731 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.858 4.438 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -12.997 5.639 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.345 4.709 4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.154 4.892 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.727 5.196 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -16.954 6.431 1.946 1.00 0.00 H new ATOM 1948 N GLN A 117 -16.031 9.752 5.412 1.00 0.00 N ATOM 1949 CA GLN A 117 -16.680 10.356 6.572 1.00 0.00 C ATOM 1950 C GLN A 117 -17.796 11.302 6.133 1.00 0.00 C ATOM 1951 O GLN A 117 -18.705 11.604 6.904 1.00 0.00 O ATOM 1952 CB GLN A 117 -15.674 11.113 7.445 1.00 0.00 C ATOM 1953 CG GLN A 117 -14.618 11.876 6.663 1.00 0.00 C ATOM 1954 CD GLN A 117 -13.387 12.180 7.489 1.00 0.00 C ATOM 1955 OE1 GLN A 117 -13.333 13.178 8.206 1.00 0.00 O ATOM 1956 NE2 GLN A 117 -12.386 11.313 7.391 1.00 0.00 N ATOM 0 H GLN A 117 -15.019 9.873 5.380 1.00 0.00 H new ATOM 0 HA GLN A 117 -17.108 9.547 7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -16.216 11.814 8.080 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -15.177 10.403 8.106 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -14.329 11.294 5.788 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -15.046 12.810 6.298 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.474 10.498 6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.529 11.462 7.923 1.00 0.00 H new ATOM 1965 N VAL A 118 -17.719 11.769 4.889 1.00 0.00 N ATOM 1966 CA VAL A 118 -18.723 12.678 4.351 1.00 0.00 C ATOM 1967 C VAL A 118 -19.892 11.915 3.746 1.00 0.00 C ATOM 1968 O VAL A 118 -21.043 12.095 4.144 1.00 0.00 O ATOM 1969 CB VAL A 118 -18.133 13.581 3.254 1.00 0.00 C ATOM 1970 CG1 VAL A 118 -19.062 14.747 2.970 1.00 0.00 C ATOM 1971 CG2 VAL A 118 -16.744 14.065 3.635 1.00 0.00 C ATOM 0 H VAL A 118 -16.972 11.532 4.237 1.00 0.00 H new ATOM 0 HA VAL A 118 -19.066 13.286 5.188 1.00 0.00 H new ATOM 0 HB VAL A 118 -18.037 12.993 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -18.629 15.376 2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -20.028 14.369 2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -19.196 15.335 3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -16.350 14.701 2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -16.799 14.634 4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -16.085 13.208 3.773 1.00 0.00 H new ATOM 1981 N GLU A 119 -19.584 11.079 2.763 1.00 0.00 N ATOM 1982 CA GLU A 119 -20.604 10.297 2.069 1.00 0.00 C ATOM 1983 C GLU A 119 -21.166 9.177 2.942 1.00 0.00 C ATOM 1984 O GLU A 119 -22.380 8.994 3.020 1.00 0.00 O ATOM 1985 CB GLU A 119 -20.026 9.709 0.779 1.00 0.00 C ATOM 1986 CG GLU A 119 -19.311 10.732 -0.090 1.00 0.00 C ATOM 1987 CD GLU A 119 -20.263 11.730 -0.721 1.00 0.00 C ATOM 1988 OE1 GLU A 119 -21.415 11.833 -0.249 1.00 0.00 O ATOM 1989 OE2 GLU A 119 -19.855 12.411 -1.685 1.00 0.00 O ATOM 0 H GLU A 119 -18.634 10.923 2.426 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.426 10.973 1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -19.329 8.911 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.833 9.256 0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.578 11.267 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -18.760 10.214 -0.875 1.00 0.00 H new ATOM 1996 N GLN A 120 -20.283 8.418 3.582 1.00 0.00 N ATOM 1997 CA GLN A 120 -20.709 7.308 4.429 1.00 0.00 C ATOM 1998 C GLN A 120 -20.971 7.751 5.868 1.00 0.00 C ATOM 1999 O GLN A 120 -21.531 6.996 6.662 1.00 0.00 O ATOM 2000 CB GLN A 120 -19.661 6.194 4.404 1.00 0.00 C ATOM 2001 CG GLN A 120 -19.598 5.459 3.075 1.00 0.00 C ATOM 2002 CD GLN A 120 -19.471 3.956 3.240 1.00 0.00 C ATOM 2003 OE1 GLN A 120 -18.551 3.338 2.706 1.00 0.00 O ATOM 2004 NE2 GLN A 120 -20.398 3.362 3.981 1.00 0.00 N ATOM 0 H GLN A 120 -19.273 8.549 3.532 1.00 0.00 H new ATOM 0 HA GLN A 120 -21.649 6.932 4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -18.682 6.620 4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -19.881 5.479 5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -20.496 5.682 2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -18.750 5.830 2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -21.143 3.914 4.405 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -20.365 2.353 4.127 1.00 0.00 H new ATOM 2013 N ARG A 121 -20.571 8.975 6.202 1.00 0.00 N ATOM 2014 CA ARG A 121 -20.777 9.501 7.548 1.00 0.00 C ATOM 2015 C ARG A 121 -20.023 8.678 8.590 1.00 0.00 C ATOM 2016 O ARG A 121 -20.362 8.701 9.773 1.00 0.00 O ATOM 2017 CB ARG A 121 -22.269 9.520 7.886 1.00 0.00 C ATOM 2018 CG ARG A 121 -23.137 10.101 6.782 1.00 0.00 C ATOM 2019 CD ARG A 121 -24.349 10.825 7.346 1.00 0.00 C ATOM 2020 NE ARG A 121 -25.562 10.540 6.585 1.00 0.00 N ATOM 2021 CZ ARG A 121 -26.271 9.421 6.713 1.00 0.00 C ATOM 2022 NH1 ARG A 121 -25.894 8.482 7.572 1.00 0.00 N ATOM 2023 NH2 ARG A 121 -27.362 9.240 5.981 1.00 0.00 N ATOM 0 H ARG A 121 -20.105 9.618 5.563 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.387 10.518 7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.598 8.503 8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.419 10.099 8.797 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.547 10.792 6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.466 9.301 6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -24.496 10.530 8.385 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.163 11.899 7.343 1.00 0.00 H new ATOM 0 HE ARG A 121 -25.885 11.239 5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -25.057 8.616 8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -26.442 7.627 7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -27.658 9.958 5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -27.905 8.382 6.079 1.00 0.00 H new ATOM 2037 N MET A 122 -19.001 7.949 8.148 1.00 0.00 N ATOM 2038 CA MET A 122 -18.211 7.121 9.050 1.00 0.00 C ATOM 2039 C MET A 122 -17.132 7.946 9.751 1.00 0.00 C ATOM 2040 O MET A 122 -16.484 8.789 9.131 1.00 0.00 O ATOM 2041 CB MET A 122 -17.573 5.961 8.277 1.00 0.00 C ATOM 2042 CG MET A 122 -16.429 6.375 7.358 1.00 0.00 C ATOM 2043 SD MET A 122 -14.904 5.463 7.683 1.00 0.00 S ATOM 2044 CE MET A 122 -13.821 6.132 6.418 1.00 0.00 C ATOM 0 H MET A 122 -18.703 7.916 7.173 1.00 0.00 H new ATOM 0 HA MET A 122 -18.877 6.718 9.813 1.00 0.00 H new ATOM 0 HB2 MET A 122 -17.203 5.224 8.990 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.342 5.469 7.682 1.00 0.00 H new ATOM 0 HG2 MET A 122 -16.727 6.218 6.321 1.00 0.00 H new ATOM 0 HG3 MET A 122 -16.241 7.442 7.477 1.00 0.00 H new ATOM 0 HE1 MET A 122 -12.828 6.295 6.838 1.00 0.00 H new ATOM 0 HE2 MET A 122 -13.753 5.429 5.588 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.223 7.079 6.059 1.00 0.00 H new ATOM 2054 N PRO A 123 -16.914 7.711 11.058 1.00 0.00 N ATOM 2055 CA PRO A 123 -15.897 8.438 11.818 1.00 0.00 C ATOM 2056 C PRO A 123 -14.494 7.975 11.449 1.00 0.00 C ATOM 2057 O PRO A 123 -14.197 6.782 11.487 1.00 0.00 O ATOM 2058 CB PRO A 123 -16.218 8.079 13.270 1.00 0.00 C ATOM 2059 CG PRO A 123 -16.871 6.741 13.190 1.00 0.00 C ATOM 2060 CD PRO A 123 -17.628 6.721 11.887 1.00 0.00 C ATOM 0 HA PRO A 123 -15.914 9.510 11.624 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.315 8.044 13.879 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -16.880 8.817 13.724 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -16.129 5.943 13.222 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -17.543 6.585 14.034 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.615 5.731 11.431 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -18.674 6.994 12.026 1.00 0.00 H new ATOM 2068 N VAL A 124 -13.640 8.917 11.065 1.00 0.00 N ATOM 2069 CA VAL A 124 -12.283 8.585 10.664 1.00 0.00 C ATOM 2070 C VAL A 124 -11.245 9.371 11.453 1.00 0.00 C ATOM 2071 O VAL A 124 -11.555 10.388 12.073 1.00 0.00 O ATOM 2072 CB VAL A 124 -12.076 8.874 9.170 1.00 0.00 C ATOM 2073 CG1 VAL A 124 -10.892 8.093 8.624 1.00 0.00 C ATOM 2074 CG2 VAL A 124 -13.338 8.560 8.385 1.00 0.00 C ATOM 0 H VAL A 124 -13.864 9.911 11.024 1.00 0.00 H new ATOM 0 HA VAL A 124 -12.150 7.522 10.868 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.858 9.936 9.057 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.767 8.315 7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -9.989 8.377 9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.070 7.025 8.752 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.171 8.771 7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.591 7.507 8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.158 9.176 8.753 1.00 0.00 H new ATOM 2084 N SER A 125 -10.007 8.894 11.407 1.00 0.00 N ATOM 2085 CA SER A 125 -8.903 9.548 12.097 1.00 0.00 C ATOM 2086 C SER A 125 -7.771 9.841 11.115 1.00 0.00 C ATOM 2087 O SER A 125 -7.782 9.341 9.991 1.00 0.00 O ATOM 2088 CB SER A 125 -8.396 8.667 13.241 1.00 0.00 C ATOM 2089 OG SER A 125 -8.587 9.299 14.495 1.00 0.00 O ATOM 0 H SER A 125 -9.742 8.052 10.896 1.00 0.00 H new ATOM 0 HA SER A 125 -9.259 10.490 12.515 1.00 0.00 H new ATOM 0 HB2 SER A 125 -8.920 7.712 13.228 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.337 8.451 13.096 1.00 0.00 H new ATOM 0 HG SER A 125 -8.257 8.715 15.209 1.00 0.00 H new ATOM 2095 N PRO A 126 -6.777 10.652 11.520 1.00 0.00 N ATOM 2096 CA PRO A 126 -5.640 10.991 10.657 1.00 0.00 C ATOM 2097 C PRO A 126 -4.835 9.753 10.278 1.00 0.00 C ATOM 2098 O PRO A 126 -3.742 9.525 10.797 1.00 0.00 O ATOM 2099 CB PRO A 126 -4.799 11.944 11.513 1.00 0.00 C ATOM 2100 CG PRO A 126 -5.228 11.685 12.917 1.00 0.00 C ATOM 2101 CD PRO A 126 -6.676 11.293 12.842 1.00 0.00 C ATOM 0 HA PRO A 126 -5.957 11.434 9.713 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.734 11.753 11.385 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -4.973 12.983 11.233 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.632 10.891 13.367 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -5.096 12.573 13.535 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -6.951 10.609 13.645 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -7.333 12.159 12.922 1.00 0.00 H new ATOM 2109 N ILE A 127 -5.397 8.945 9.384 1.00 0.00 N ATOM 2110 CA ILE A 127 -4.757 7.711 8.942 1.00 0.00 C ATOM 2111 C ILE A 127 -4.225 6.915 10.127 1.00 0.00 C ATOM 2112 O ILE A 127 -3.015 6.773 10.300 1.00 0.00 O ATOM 2113 CB ILE A 127 -3.597 7.968 7.957 1.00 0.00 C ATOM 2114 CG1 ILE A 127 -3.973 9.055 6.945 1.00 0.00 C ATOM 2115 CG2 ILE A 127 -3.223 6.674 7.243 1.00 0.00 C ATOM 2116 CD1 ILE A 127 -2.898 9.310 5.909 1.00 0.00 C ATOM 0 H ILE A 127 -6.302 9.125 8.949 1.00 0.00 H new ATOM 0 HA ILE A 127 -5.529 7.140 8.426 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.733 8.319 8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.894 8.767 6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -4.180 9.982 7.479 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -2.404 6.865 6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -2.912 5.930 7.977 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -4.086 6.301 6.691 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.230 10.091 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.982 9.629 6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.707 8.394 5.350 1.00 0.00 H new ATOM 2128 N SER A 128 -5.137 6.386 10.941 1.00 0.00 N ATOM 2129 CA SER A 128 -4.752 5.593 12.105 1.00 0.00 C ATOM 2130 C SER A 128 -3.725 4.535 11.708 1.00 0.00 C ATOM 2131 O SER A 128 -2.904 4.109 12.518 1.00 0.00 O ATOM 2132 CB SER A 128 -5.983 4.925 12.721 1.00 0.00 C ATOM 2133 OG SER A 128 -6.461 5.663 13.833 1.00 0.00 O ATOM 0 H SER A 128 -6.144 6.492 10.816 1.00 0.00 H new ATOM 0 HA SER A 128 -4.305 6.256 12.845 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.769 4.842 11.971 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.732 3.911 13.034 1.00 0.00 H new ATOM 0 HG SER A 128 -7.249 5.217 14.208 1.00 0.00 H new ATOM 2139 N GLN A 129 -3.782 4.131 10.443 1.00 0.00 N ATOM 2140 CA GLN A 129 -2.866 3.138 9.903 1.00 0.00 C ATOM 2141 C GLN A 129 -1.416 3.600 10.034 1.00 0.00 C ATOM 2142 O GLN A 129 -0.490 2.790 9.994 1.00 0.00 O ATOM 2143 CB GLN A 129 -3.190 2.881 8.430 1.00 0.00 C ATOM 2144 CG GLN A 129 -4.646 2.526 8.171 1.00 0.00 C ATOM 2145 CD GLN A 129 -5.508 3.739 7.864 1.00 0.00 C ATOM 2146 OE1 GLN A 129 -5.097 4.875 8.088 1.00 0.00 O ATOM 2147 NE2 GLN A 129 -6.713 3.498 7.360 1.00 0.00 N ATOM 0 H GLN A 129 -4.462 4.482 9.768 1.00 0.00 H new ATOM 0 HA GLN A 129 -2.988 2.217 10.473 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -2.935 3.769 7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -2.559 2.071 8.065 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -4.701 1.828 7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -5.050 2.012 9.043 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -7.012 2.538 7.190 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.339 4.273 7.143 1.00 0.00 H new ATOM 2156 N GLY A 130 -1.225 4.909 10.178 1.00 0.00 N ATOM 2157 CA GLY A 130 0.113 5.457 10.295 1.00 0.00 C ATOM 2158 C GLY A 130 0.705 5.780 8.939 1.00 0.00 C ATOM 2159 O GLY A 130 1.405 4.959 8.354 1.00 0.00 O ATOM 0 H GLY A 130 -1.975 5.600 10.216 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.085 6.360 10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.755 4.744 10.812 1.00 0.00 H new ATOM 2163 N ALA A 131 0.411 6.974 8.434 1.00 0.00 N ATOM 2164 CA ALA A 131 0.898 7.404 7.124 1.00 0.00 C ATOM 2165 C ALA A 131 2.396 7.715 7.116 1.00 0.00 C ATOM 2166 O ALA A 131 2.879 8.427 6.235 1.00 0.00 O ATOM 2167 CB ALA A 131 0.111 8.614 6.647 1.00 0.00 C ATOM 0 H ALA A 131 -0.165 7.666 8.914 1.00 0.00 H new ATOM 0 HA ALA A 131 0.746 6.569 6.441 1.00 0.00 H new ATOM 0 HB1 ALA A 131 0.481 8.927 5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -0.945 8.354 6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 131 0.232 9.430 7.359 1.00 0.00 H new ATOM 2173 N SER A 132 3.134 7.182 8.086 1.00 0.00 N ATOM 2174 CA SER A 132 4.572 7.412 8.159 1.00 0.00 C ATOM 2175 C SER A 132 5.344 6.391 7.321 1.00 0.00 C ATOM 2176 O SER A 132 6.566 6.287 7.431 1.00 0.00 O ATOM 2177 CB SER A 132 5.043 7.345 9.611 1.00 0.00 C ATOM 2178 OG SER A 132 4.559 8.450 10.356 1.00 0.00 O ATOM 0 H SER A 132 2.761 6.591 8.829 1.00 0.00 H new ATOM 0 HA SER A 132 4.770 8.405 7.756 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.698 6.417 10.066 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.132 7.330 9.643 1.00 0.00 H new ATOM 0 HG SER A 132 4.873 8.383 11.282 1.00 0.00 H new ATOM 2184 N TRP A 133 4.628 5.637 6.487 1.00 0.00 N ATOM 2185 CA TRP A 133 5.255 4.623 5.637 1.00 0.00 C ATOM 2186 C TRP A 133 6.471 5.187 4.906 1.00 0.00 C ATOM 2187 O TRP A 133 7.528 4.561 4.861 1.00 0.00 O ATOM 2188 CB TRP A 133 4.274 4.081 4.592 1.00 0.00 C ATOM 2189 CG TRP A 133 2.845 4.020 5.039 1.00 0.00 C ATOM 2190 CD1 TRP A 133 2.373 3.605 6.248 1.00 0.00 C ATOM 2191 CD2 TRP A 133 1.698 4.376 4.261 1.00 0.00 C ATOM 2192 NE1 TRP A 133 0.999 3.686 6.271 1.00 0.00 N ATOM 2193 CE2 TRP A 133 0.563 4.155 5.062 1.00 0.00 C ATOM 2194 CE3 TRP A 133 1.522 4.864 2.964 1.00 0.00 C ATOM 2195 CZ2 TRP A 133 -0.730 4.402 4.607 1.00 0.00 C ATOM 2196 CZ3 TRP A 133 0.240 5.108 2.514 1.00 0.00 C ATOM 2197 CH2 TRP A 133 -0.871 4.877 3.332 1.00 0.00 C ATOM 0 H TRP A 133 3.616 5.708 6.381 1.00 0.00 H new ATOM 0 HA TRP A 133 5.565 3.815 6.299 1.00 0.00 H new ATOM 0 HB2 TRP A 133 4.334 4.705 3.700 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.592 3.079 4.302 1.00 0.00 H new ATOM 0 HD1 TRP A 133 2.987 3.263 7.068 1.00 0.00 H new ATOM 0 HE1 TRP A 133 0.403 3.437 7.061 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.373 5.047 2.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.589 4.225 5.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 0.092 5.484 1.512 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -1.861 5.078 2.949 1.00 0.00 H new ATOM 2208 N ALA A 134 6.301 6.366 4.318 1.00 0.00 N ATOM 2209 CA ALA A 134 7.370 7.016 3.568 1.00 0.00 C ATOM 2210 C ALA A 134 8.655 7.093 4.382 1.00 0.00 C ATOM 2211 O ALA A 134 9.752 6.925 3.848 1.00 0.00 O ATOM 2212 CB ALA A 134 6.929 8.403 3.128 1.00 0.00 C ATOM 0 H ALA A 134 5.428 6.894 4.347 1.00 0.00 H new ATOM 0 HA ALA A 134 7.579 6.414 2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 134 7.734 8.880 2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.046 8.320 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.690 9.004 4.005 1.00 0.00 H new ATOM 2218 N GLN A 135 8.512 7.341 5.676 1.00 0.00 N ATOM 2219 CA GLN A 135 9.666 7.434 6.562 1.00 0.00 C ATOM 2220 C GLN A 135 10.321 6.068 6.737 1.00 0.00 C ATOM 2221 O GLN A 135 11.547 5.953 6.765 1.00 0.00 O ATOM 2222 CB GLN A 135 9.245 7.992 7.923 1.00 0.00 C ATOM 2223 CG GLN A 135 8.584 9.359 7.841 1.00 0.00 C ATOM 2224 CD GLN A 135 8.919 10.241 9.028 1.00 0.00 C ATOM 2225 OE1 GLN A 135 8.316 10.122 10.095 1.00 0.00 O ATOM 2226 NE2 GLN A 135 9.884 11.134 8.847 1.00 0.00 N ATOM 0 H GLN A 135 7.612 7.481 6.136 1.00 0.00 H new ATOM 0 HA GLN A 135 10.391 8.111 6.111 1.00 0.00 H new ATOM 0 HB2 GLN A 135 8.556 7.292 8.396 1.00 0.00 H new ATOM 0 HB3 GLN A 135 10.122 8.060 8.566 1.00 0.00 H new ATOM 0 HG2 GLN A 135 8.899 9.856 6.923 1.00 0.00 H new ATOM 0 HG3 GLN A 135 7.503 9.233 7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 135 10.357 11.198 7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 135 10.152 11.756 9.609 1.00 0.00 H new ATOM 2235 N GLU A 136 9.493 5.035 6.857 1.00 0.00 N ATOM 2236 CA GLU A 136 9.985 3.674 7.032 1.00 0.00 C ATOM 2237 C GLU A 136 10.411 3.061 5.699 1.00 0.00 C ATOM 2238 O GLU A 136 11.216 2.129 5.668 1.00 0.00 O ATOM 2239 CB GLU A 136 8.907 2.804 7.680 1.00 0.00 C ATOM 2240 CG GLU A 136 8.779 3.010 9.181 1.00 0.00 C ATOM 2241 CD GLU A 136 8.769 1.704 9.952 1.00 0.00 C ATOM 2242 OE1 GLU A 136 9.698 0.893 9.756 1.00 0.00 O ATOM 2243 OE2 GLU A 136 7.832 1.494 10.751 1.00 0.00 O ATOM 0 H GLU A 136 8.476 5.115 6.836 1.00 0.00 H new ATOM 0 HA GLU A 136 10.858 3.716 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 136 7.948 3.018 7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.131 1.756 7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.606 3.627 9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.861 3.558 9.391 1.00 0.00 H new ATOM 2250 N ASP A 137 9.870 3.584 4.602 1.00 0.00 N ATOM 2251 CA ASP A 137 10.203 3.081 3.278 1.00 0.00 C ATOM 2252 C ASP A 137 11.666 3.341 2.960 1.00 0.00 C ATOM 2253 O ASP A 137 12.354 2.484 2.406 1.00 0.00 O ATOM 2254 CB ASP A 137 9.319 3.737 2.221 1.00 0.00 C ATOM 2255 CG ASP A 137 7.963 3.069 2.105 1.00 0.00 C ATOM 2256 OD1 ASP A 137 7.363 2.757 3.156 1.00 0.00 O ATOM 2257 OD2 ASP A 137 7.501 2.860 0.964 1.00 0.00 O ATOM 0 H ASP A 137 9.201 4.354 4.606 1.00 0.00 H new ATOM 0 HA ASP A 137 10.027 2.005 3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 137 9.182 4.790 2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.823 3.699 1.255 1.00 0.00 H new ATOM 2262 N GLN A 138 12.141 4.529 3.317 1.00 0.00 N ATOM 2263 CA GLN A 138 13.528 4.889 3.067 1.00 0.00 C ATOM 2264 C GLN A 138 14.448 4.112 3.996 1.00 0.00 C ATOM 2265 O GLN A 138 15.420 3.501 3.552 1.00 0.00 O ATOM 2266 CB GLN A 138 13.761 6.389 3.256 1.00 0.00 C ATOM 2267 CG GLN A 138 12.562 7.257 2.903 1.00 0.00 C ATOM 2268 CD GLN A 138 12.962 8.579 2.272 1.00 0.00 C ATOM 2269 OE1 GLN A 138 12.431 9.632 2.626 1.00 0.00 O ATOM 2270 NE2 GLN A 138 13.900 8.533 1.332 1.00 0.00 N ATOM 0 H GLN A 138 11.589 5.253 3.777 1.00 0.00 H new ATOM 0 HA GLN A 138 13.752 4.635 2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 138 14.036 6.574 4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 138 14.609 6.694 2.642 1.00 0.00 H new ATOM 0 HG2 GLN A 138 11.914 6.713 2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 138 11.980 7.450 3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 138 14.314 7.639 1.068 1.00 0.00 H new ATOM 0 HE22 GLN A 138 14.206 9.392 0.874 1.00 0.00 H new ATOM 2279 N GLN A 139 14.129 4.130 5.289 1.00 0.00 N ATOM 2280 CA GLN A 139 14.926 3.413 6.276 1.00 0.00 C ATOM 2281 C GLN A 139 15.177 1.986 5.809 1.00 0.00 C ATOM 2282 O GLN A 139 16.251 1.425 6.027 1.00 0.00 O ATOM 2283 CB GLN A 139 14.216 3.405 7.631 1.00 0.00 C ATOM 2284 CG GLN A 139 14.132 4.777 8.282 1.00 0.00 C ATOM 2285 CD GLN A 139 14.417 4.736 9.770 1.00 0.00 C ATOM 2286 OE1 GLN A 139 13.522 4.940 10.590 1.00 0.00 O ATOM 2287 NE2 GLN A 139 15.669 4.472 10.126 1.00 0.00 N ATOM 0 H GLN A 139 13.328 4.631 5.674 1.00 0.00 H new ATOM 0 HA GLN A 139 15.883 3.923 6.387 1.00 0.00 H new ATOM 0 HB2 GLN A 139 13.208 3.011 7.501 1.00 0.00 H new ATOM 0 HB3 GLN A 139 14.740 2.725 8.302 1.00 0.00 H new ATOM 0 HG2 GLN A 139 14.842 5.448 7.799 1.00 0.00 H new ATOM 0 HG3 GLN A 139 13.138 5.192 8.118 1.00 0.00 H new ATOM 0 HE21 GLN A 139 16.379 4.309 9.412 1.00 0.00 H new ATOM 0 HE22 GLN A 139 15.921 4.432 11.114 1.00 0.00 H new ATOM 2296 N ASP A 140 14.178 1.413 5.145 1.00 0.00 N ATOM 2297 CA ASP A 140 14.285 0.058 4.624 1.00 0.00 C ATOM 2298 C ASP A 140 14.997 0.062 3.275 1.00 0.00 C ATOM 2299 O ASP A 140 15.646 -0.913 2.907 1.00 0.00 O ATOM 2300 CB ASP A 140 12.897 -0.568 4.483 1.00 0.00 C ATOM 2301 CG ASP A 140 12.175 -0.679 5.811 1.00 0.00 C ATOM 2302 OD1 ASP A 140 12.849 -0.920 6.836 1.00 0.00 O ATOM 2303 OD2 ASP A 140 10.935 -0.526 5.828 1.00 0.00 O ATOM 0 H ASP A 140 13.285 1.868 4.956 1.00 0.00 H new ATOM 0 HA ASP A 140 14.869 -0.537 5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.299 0.032 3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 140 12.992 -1.560 4.040 1.00 0.00 H new ATOM 2308 N ALA A 141 14.877 1.174 2.554 1.00 0.00 N ATOM 2309 CA ALA A 141 15.512 1.326 1.251 1.00 0.00 C ATOM 2310 C ALA A 141 17.009 1.530 1.412 1.00 0.00 C ATOM 2311 O ALA A 141 17.811 0.729 0.932 1.00 0.00 O ATOM 2312 CB ALA A 141 14.897 2.493 0.489 1.00 0.00 C ATOM 0 H ALA A 141 14.341 1.988 2.855 1.00 0.00 H new ATOM 0 HA ALA A 141 15.345 0.414 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 141 15.384 2.591 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 141 13.832 2.312 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.035 3.412 1.058 1.00 0.00 H new ATOM 2318 N ASP A 142 17.382 2.601 2.106 1.00 0.00 N ATOM 2319 CA ASP A 142 18.786 2.896 2.347 1.00 0.00 C ATOM 2320 C ASP A 142 19.460 1.694 2.998 1.00 0.00 C ATOM 2321 O ASP A 142 20.619 1.386 2.718 1.00 0.00 O ATOM 2322 CB ASP A 142 18.927 4.130 3.239 1.00 0.00 C ATOM 2323 CG ASP A 142 20.339 4.680 3.245 1.00 0.00 C ATOM 2324 OD1 ASP A 142 21.290 3.877 3.141 1.00 0.00 O ATOM 2325 OD2 ASP A 142 20.496 5.915 3.354 1.00 0.00 O ATOM 0 H ASP A 142 16.732 3.276 2.509 1.00 0.00 H new ATOM 0 HA ASP A 142 19.272 3.104 1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 142 18.240 4.904 2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 142 18.635 3.874 4.258 1.00 0.00 H new ATOM 2330 N GLU A 143 18.711 1.008 3.857 1.00 0.00 N ATOM 2331 CA GLU A 143 19.220 -0.171 4.539 1.00 0.00 C ATOM 2332 C GLU A 143 19.149 -1.391 3.627 1.00 0.00 C ATOM 2333 O GLU A 143 19.979 -2.292 3.722 1.00 0.00 O ATOM 2334 CB GLU A 143 18.427 -0.433 5.822 1.00 0.00 C ATOM 2335 CG GLU A 143 18.690 0.589 6.918 1.00 0.00 C ATOM 2336 CD GLU A 143 19.809 0.169 7.850 1.00 0.00 C ATOM 2337 OE1 GLU A 143 19.855 -1.022 8.226 1.00 0.00 O ATOM 2338 OE2 GLU A 143 20.640 1.031 8.205 1.00 0.00 O ATOM 0 H GLU A 143 17.749 1.251 4.095 1.00 0.00 H new ATOM 0 HA GLU A 143 20.262 0.012 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.363 -0.436 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 143 18.674 -1.427 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 143 18.941 1.547 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 143 17.778 0.740 7.496 1.00 0.00 H new ATOM 2345 N ASP A 144 18.152 -1.418 2.740 1.00 0.00 N ATOM 2346 CA ASP A 144 17.993 -2.541 1.817 1.00 0.00 C ATOM 2347 C ASP A 144 19.232 -2.708 0.943 1.00 0.00 C ATOM 2348 O ASP A 144 19.908 -3.735 0.995 1.00 0.00 O ATOM 2349 CB ASP A 144 16.760 -2.348 0.930 1.00 0.00 C ATOM 2350 CG ASP A 144 15.585 -3.189 1.390 1.00 0.00 C ATOM 2351 OD1 ASP A 144 15.443 -3.392 2.615 1.00 0.00 O ATOM 2352 OD2 ASP A 144 14.808 -3.645 0.526 1.00 0.00 O ATOM 0 H ASP A 144 17.451 -0.684 2.642 1.00 0.00 H new ATOM 0 HA ASP A 144 17.860 -3.442 2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 144 16.474 -1.296 0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 144 17.010 -2.608 -0.098 1.00 0.00 H new ATOM 2357 N ARG A 145 19.523 -1.691 0.136 1.00 0.00 N ATOM 2358 CA ARG A 145 20.680 -1.731 -0.749 1.00 0.00 C ATOM 2359 C ARG A 145 21.966 -1.908 0.050 1.00 0.00 C ATOM 2360 O ARG A 145 22.880 -2.617 -0.369 1.00 0.00 O ATOM 2361 CB ARG A 145 20.754 -0.459 -1.598 1.00 0.00 C ATOM 2362 CG ARG A 145 20.534 0.819 -0.807 1.00 0.00 C ATOM 2363 CD ARG A 145 21.399 1.953 -1.334 1.00 0.00 C ATOM 2364 NE ARG A 145 20.823 3.263 -1.044 1.00 0.00 N ATOM 2365 CZ ARG A 145 21.201 4.390 -1.644 1.00 0.00 C ATOM 2366 NH1 ARG A 145 22.151 4.368 -2.572 1.00 0.00 N ATOM 2367 NH2 ARG A 145 20.628 5.540 -1.318 1.00 0.00 N ATOM 0 H ARG A 145 18.975 -0.833 0.078 1.00 0.00 H new ATOM 0 HA ARG A 145 20.567 -2.587 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 145 21.730 -0.412 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 145 20.008 -0.518 -2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 145 19.484 1.105 -0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 145 20.763 0.642 0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 145 22.392 1.888 -0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 145 21.524 1.843 -2.411 1.00 0.00 H new ATOM 0 HE ARG A 145 20.087 3.318 -0.340 1.00 0.00 H new ATOM 0 HH11 ARG A 145 22.594 3.485 -2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 145 22.438 5.234 -3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 145 19.897 5.562 -0.607 1.00 0.00 H new ATOM 0 HH22 ARG A 145 20.918 6.403 -1.778 1.00 0.00 H new