USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 788 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 94 ASN : amide:sc= -0.0146 K(o=-0.015,f=1.1) USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 57 CYS SG : rot 155:sc= -0.462 USER MOD Set 2.2: A 60 CYS SG : rot -64:sc= -0.012 USER MOD Set 2.3: A 77 HIS : no HE2:sc= 0.152 X(o=-1.7,f=-2) USER MOD Set 2.4: A 86 HIS : no HD1:sc= -1.34 K(o=-1.7,f=-0.48) USER MOD Set 3.1: A 53 SER OG : rot -106:sc= 1.59 USER MOD Set 3.2: A 68 ASN : amide:sc= 1.08 K(o=2.7,f=-2.3!) USER MOD Set 4.1: A 31 CYS SG : rot -120:sc= -4.92! USER MOD Set 4.2: A 34 CYS SG : rot 17:sc= 0.695 USER MOD Set 4.3: A 65 CYS SG : rot -140:sc= 1.27 USER MOD Set 4.4: A 69 SER OG : rot 170:sc= 1.64 USER MOD Set 4.5: A 73 HIS : no HD1:sc= -0.51 X(o=-1.8,f=-2) USER MOD Set 5.1: A 16 GLN : amide:sc= -0.0617 K(o=-4.6,f=-3.1) USER MOD Set 5.2: A 113 GLN : amide:sc= -4.55! C(o=-4.6!,f=-3.1!) USER MOD Set 6.1: A 7 CYS SG : rot 33:sc= 0.238 USER MOD Set 6.2: A 9 HIS : no HD1:sc= -0.703 K(o=-5.3,f=-6) USER MOD Set 6.3: A 87 CYS SG : rot 7:sc= -2.78! USER MOD Set 6.4: A 99 CYS SG : rot -141:sc= -2.44! USER MOD Set 6.5: A 102 CYS SG : rot 124:sc= 0.388 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.25! X(o=-1.3!,f=-0.98) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0436 (180deg=-0.249) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.1 X(o=0.1,f=0) USER MOD Single : A 29 ASN : amide:sc= -2.05! K(o=-2!,f=-0.88) USER MOD Single : A 32 GLN : amide:sc= -1.85! C(o=-1.8!,f=-5.5!) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc=-0.00628 (180deg=-0.08) USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= 1.3 (180deg=1.3) USER MOD Single : A 62 HIS : no HE2:sc= -2.13! C(o=-2.1!,f=-3.8!) USER MOD Single : A 63 GLN : amide:sc= -2.34! C(o=-2.3!,f=-4.2!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.33) USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= 0.8 (180deg=0.708) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 37:sc= 0.878 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -5:sc= 1.01 USER MOD Single : A 100 TYR OH : rot 70:sc= -0.13 USER MOD Single : A 104 ASN : amide:sc= -6.06! C(o=-6.1!,f=-5.5!) USER MOD Single : A 107 GLN : amide:sc= -2.73! K(o=-2.7!,f=-0.0076) USER MOD Single : A 108 TYR OH : rot -140:sc= -0.892! USER MOD Single : A 112 ASN : amide:sc= 0.671 K(o=0.67,f=-4.9!) USER MOD Single : A 116 GLN : amide:sc= -0.186 K(o=-0.19,f=-1) USER MOD Single : A 120 TYR OH : rot 15:sc= -3.48! USER MOD Single : A 123 LYS NZ :NH3+ 147:sc= 0.986 (180deg=0.284) USER MOD Single : A 124 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.5) USER MOD Single : A 126 SER OG : rot 82:sc= 0.475 USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 7 5.606 -17.823 -2.797 1.00 0.00 N ATOM 32 CA CYS A 7 4.583 -17.281 -2.014 1.00 0.00 C ATOM 33 C CYS A 7 3.349 -18.128 -2.068 1.00 0.00 C ATOM 34 O CYS A 7 2.688 -18.226 -3.088 1.00 0.00 O ATOM 35 CB CYS A 7 4.248 -15.860 -2.375 1.00 0.00 C ATOM 36 SG CYS A 7 3.308 -15.067 -1.076 1.00 0.00 S ATOM 0 HA CYS A 7 4.967 -17.271 -0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.167 -15.302 -2.556 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.677 -15.843 -3.303 1.00 0.00 H new ATOM 0 HG CYS A 7 3.688 -15.528 0.078 1.00 0.00 H new ATOM 41 N ARG A 8 3.058 -18.727 -0.958 1.00 0.00 N ATOM 42 CA ARG A 8 1.864 -19.509 -0.775 1.00 0.00 C ATOM 43 C ARG A 8 1.013 -18.812 0.252 1.00 0.00 C ATOM 44 O ARG A 8 0.111 -19.367 0.828 1.00 0.00 O ATOM 45 CB ARG A 8 2.239 -20.918 -0.335 1.00 0.00 C ATOM 46 CG ARG A 8 3.037 -21.659 -1.392 1.00 0.00 C ATOM 47 CD ARG A 8 2.204 -21.911 -2.639 1.00 0.00 C ATOM 48 NE ARG A 8 1.031 -22.755 -2.359 1.00 0.00 N ATOM 49 CZ ARG A 8 -0.110 -22.774 -3.065 1.00 0.00 C ATOM 50 NH1 ARG A 8 -0.266 -21.986 -4.113 1.00 0.00 N ATOM 51 NH2 ARG A 8 -1.084 -23.586 -2.721 1.00 0.00 N ATOM 0 H ARG A 8 3.654 -18.689 -0.131 1.00 0.00 H new ATOM 0 HA ARG A 8 1.302 -19.599 -1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.820 -20.866 0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.332 -21.479 -0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.922 -21.080 -1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.386 -22.609 -0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.874 -20.958 -3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.823 -22.391 -3.397 1.00 0.00 H new ATOM 0 HE ARG A 8 1.091 -23.382 -1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.485 -21.355 -4.393 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.137 -22.008 -4.643 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.973 -24.203 -1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.951 -23.599 -3.259 1.00 0.00 H new ATOM 65 N HIS A 9 1.284 -17.533 0.390 1.00 0.00 N ATOM 66 CA HIS A 9 0.622 -16.665 1.374 1.00 0.00 C ATOM 67 C HIS A 9 -0.301 -15.745 0.639 1.00 0.00 C ATOM 68 O HIS A 9 -0.660 -14.699 1.162 1.00 0.00 O ATOM 69 CB HIS A 9 1.637 -15.739 2.083 1.00 0.00 C ATOM 70 CG HIS A 9 2.808 -16.387 2.718 1.00 0.00 C ATOM 71 ND1 HIS A 9 4.079 -16.080 2.302 1.00 0.00 N ATOM 72 CD2 HIS A 9 2.866 -17.258 3.756 1.00 0.00 C ATOM 73 CE1 HIS A 9 4.889 -16.779 3.102 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.193 -17.501 3.994 1.00 0.00 N ATOM 0 H HIS A 9 1.977 -17.048 -0.179 1.00 0.00 H new ATOM 0 HA HIS A 9 0.118 -17.306 2.097 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.004 -15.017 1.354 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.104 -15.176 2.849 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.028 -17.679 4.292 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.967 -16.765 3.039 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.579 -18.114 4.712 1.00 0.00 H new ATOM 82 N ILE A 10 -0.679 -16.134 -0.570 1.00 0.00 N ATOM 83 CA ILE A 10 -1.467 -15.274 -1.441 1.00 0.00 C ATOM 84 C ILE A 10 -2.757 -14.894 -0.762 1.00 0.00 C ATOM 85 O ILE A 10 -3.004 -13.759 -0.508 1.00 0.00 O ATOM 86 CB ILE A 10 -1.763 -15.963 -2.802 1.00 0.00 C ATOM 87 CG1 ILE A 10 -0.451 -16.343 -3.514 1.00 0.00 C ATOM 88 CG2 ILE A 10 -2.643 -15.087 -3.701 1.00 0.00 C ATOM 89 CD1 ILE A 10 0.465 -15.187 -3.796 1.00 0.00 C ATOM 0 H ILE A 10 -0.452 -17.044 -0.971 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.885 -14.374 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.320 -16.877 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.082 -17.071 -2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.694 -16.835 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.828 -15.603 -4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.592 -14.892 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.136 -14.143 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.362 -15.548 -4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.044 -14.467 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.743 -14.706 -2.858 1.00 0.00 H new ATOM 101 N ARG A 11 -3.511 -15.892 -0.397 1.00 0.00 N ATOM 102 CA ARG A 11 -4.792 -15.727 0.280 1.00 0.00 C ATOM 103 C ARG A 11 -4.622 -15.048 1.636 1.00 0.00 C ATOM 104 O ARG A 11 -5.508 -14.362 2.110 1.00 0.00 O ATOM 105 CB ARG A 11 -5.434 -17.081 0.503 1.00 0.00 C ATOM 106 CG ARG A 11 -6.014 -17.793 -0.721 1.00 0.00 C ATOM 107 CD ARG A 11 -5.055 -17.986 -1.891 1.00 0.00 C ATOM 108 NE ARG A 11 -3.847 -18.788 -1.574 1.00 0.00 N ATOM 109 CZ ARG A 11 -2.939 -19.153 -2.501 1.00 0.00 C ATOM 110 NH1 ARG A 11 -3.172 -18.897 -3.774 1.00 0.00 N ATOM 111 NH2 ARG A 11 -1.837 -19.809 -2.160 1.00 0.00 N ATOM 0 H ARG A 11 -3.259 -16.867 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.421 -15.103 -0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.689 -17.737 0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.234 -16.959 1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.379 -18.772 -0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.877 -17.227 -1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.592 -18.469 -2.708 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.741 -17.007 -2.251 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.697 -19.077 -0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.034 -18.426 -4.050 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.490 -19.170 -4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.666 -20.045 -1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.161 -20.077 -2.875 1.00 0.00 H new ATOM 125 N LYS A 12 -3.481 -15.243 2.246 1.00 0.00 N ATOM 126 CA LYS A 12 -3.209 -14.675 3.558 1.00 0.00 C ATOM 127 C LYS A 12 -2.998 -13.167 3.489 1.00 0.00 C ATOM 128 O LYS A 12 -3.241 -12.444 4.456 1.00 0.00 O ATOM 129 CB LYS A 12 -2.004 -15.353 4.208 1.00 0.00 C ATOM 130 CG LYS A 12 -2.202 -16.837 4.432 1.00 0.00 C ATOM 131 CD LYS A 12 -1.035 -17.458 5.169 1.00 0.00 C ATOM 132 CE LYS A 12 -1.290 -18.932 5.399 1.00 0.00 C ATOM 133 NZ LYS A 12 -0.240 -19.577 6.195 1.00 0.00 N ATOM 0 H LYS A 12 -2.715 -15.794 1.858 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.087 -14.859 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.127 -15.201 3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.797 -14.872 5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.118 -16.999 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.331 -17.335 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.119 -17.325 4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.888 -16.953 6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.248 -19.055 5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.370 -19.436 4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.468 -20.584 6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.672 -19.487 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.179 -19.118 7.126 1.00 0.00 H new ATOM 147 N GLY A 13 -2.574 -12.700 2.353 1.00 0.00 N ATOM 148 CA GLY A 13 -2.323 -11.298 2.187 1.00 0.00 C ATOM 149 C GLY A 13 -3.143 -10.695 1.112 1.00 0.00 C ATOM 150 O GLY A 13 -2.905 -9.583 0.736 1.00 0.00 O ATOM 0 H GLY A 13 -2.394 -13.269 1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.526 -10.783 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.267 -11.146 1.962 1.00 0.00 H new ATOM 154 N LEU A 14 -4.068 -11.443 0.602 1.00 0.00 N ATOM 155 CA LEU A 14 -4.975 -10.983 -0.389 1.00 0.00 C ATOM 156 C LEU A 14 -6.338 -11.428 0.067 1.00 0.00 C ATOM 157 O LEU A 14 -6.594 -12.626 0.190 1.00 0.00 O ATOM 158 CB LEU A 14 -4.581 -11.605 -1.724 1.00 0.00 C ATOM 159 CG LEU A 14 -5.194 -11.068 -2.994 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.426 -11.595 -4.162 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.643 -11.444 -3.139 1.00 0.00 C ATOM 0 H LEU A 14 -4.214 -12.415 0.873 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.966 -9.901 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.499 -11.519 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.813 -12.669 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.145 -9.980 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.861 -11.213 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.387 -11.273 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.469 -12.684 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.034 -11.032 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.737 -12.530 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.209 -11.043 -2.298 1.00 0.00 H new ATOM 173 N GLU A 15 -7.182 -10.498 0.357 1.00 0.00 N ATOM 174 CA GLU A 15 -8.457 -10.828 0.911 1.00 0.00 C ATOM 175 C GLU A 15 -9.542 -10.253 -0.018 1.00 0.00 C ATOM 176 O GLU A 15 -9.995 -9.136 0.191 1.00 0.00 O ATOM 177 CB GLU A 15 -8.474 -10.180 2.274 1.00 0.00 C ATOM 178 CG GLU A 15 -9.418 -10.738 3.265 1.00 0.00 C ATOM 179 CD GLU A 15 -9.151 -12.157 3.638 1.00 0.00 C ATOM 180 OE1 GLU A 15 -9.700 -13.076 3.007 1.00 0.00 O ATOM 181 OE2 GLU A 15 -8.422 -12.385 4.613 1.00 0.00 O ATOM 0 H GLU A 15 -7.015 -9.501 0.221 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.640 -11.899 1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.469 -10.240 2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.703 -9.122 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.384 -10.126 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.430 -10.664 2.867 1.00 0.00 H new ATOM 188 N GLN A 16 -9.953 -11.024 -1.032 1.00 0.00 N ATOM 189 CA GLN A 16 -10.790 -10.497 -2.145 1.00 0.00 C ATOM 190 C GLN A 16 -12.045 -9.757 -1.694 1.00 0.00 C ATOM 191 O GLN A 16 -12.355 -8.678 -2.208 1.00 0.00 O ATOM 192 CB GLN A 16 -11.249 -11.587 -3.101 1.00 0.00 C ATOM 193 CG GLN A 16 -10.182 -12.512 -3.646 1.00 0.00 C ATOM 194 CD GLN A 16 -10.752 -13.461 -4.693 1.00 0.00 C ATOM 195 OE1 GLN A 16 -11.692 -13.116 -5.424 1.00 0.00 O ATOM 196 NE2 GLN A 16 -10.246 -14.659 -4.747 1.00 0.00 N ATOM 0 H GLN A 16 -9.726 -12.015 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.117 -9.797 -2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.996 -12.194 -2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.748 -11.110 -3.945 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.378 -11.923 -4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.746 -13.088 -2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.473 -14.914 -4.133 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.623 -15.343 -5.403 1.00 0.00 H new ATOM 205 N GLY A 17 -12.750 -10.336 -0.738 1.00 0.00 N ATOM 206 CA GLY A 17 -14.016 -9.773 -0.300 1.00 0.00 C ATOM 207 C GLY A 17 -13.831 -8.452 0.400 1.00 0.00 C ATOM 208 O GLY A 17 -14.617 -7.519 0.221 1.00 0.00 O ATOM 0 H GLY A 17 -12.471 -11.189 -0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.671 -9.639 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.512 -10.474 0.372 1.00 0.00 H new ATOM 212 N ASN A 18 -12.768 -8.366 1.156 1.00 0.00 N ATOM 213 CA ASN A 18 -12.425 -7.166 1.905 1.00 0.00 C ATOM 214 C ASN A 18 -11.977 -6.083 0.940 1.00 0.00 C ATOM 215 O ASN A 18 -12.335 -4.921 1.082 1.00 0.00 O ATOM 216 CB ASN A 18 -11.293 -7.481 2.886 1.00 0.00 C ATOM 217 CG ASN A 18 -10.847 -6.299 3.723 1.00 0.00 C ATOM 218 OD1 ASN A 18 -11.632 -5.407 4.071 1.00 0.00 O ATOM 219 ND2 ASN A 18 -9.580 -6.266 4.029 1.00 0.00 N ATOM 0 H ASN A 18 -12.103 -9.130 1.276 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.297 -6.820 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.617 -8.281 3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.437 -7.859 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.207 -5.488 4.572 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.962 -7.019 3.725 1.00 0.00 H new ATOM 226 N LEU A 19 -11.234 -6.502 -0.073 1.00 0.00 N ATOM 227 CA LEU A 19 -10.686 -5.618 -1.112 1.00 0.00 C ATOM 228 C LEU A 19 -11.737 -4.781 -1.764 1.00 0.00 C ATOM 229 O LEU A 19 -11.549 -3.589 -1.945 1.00 0.00 O ATOM 230 CB LEU A 19 -9.952 -6.420 -2.180 1.00 0.00 C ATOM 231 CG LEU A 19 -8.524 -6.889 -1.878 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.535 -6.014 -2.580 1.00 0.00 C ATOM 233 CD2 LEU A 19 -8.207 -6.865 -0.409 1.00 0.00 C ATOM 0 H LEU A 19 -10.986 -7.482 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.987 -4.952 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.552 -7.302 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.920 -5.816 -3.087 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.457 -7.918 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.524 -6.357 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.706 -6.061 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.653 -4.985 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.184 -7.206 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.312 -5.848 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.895 -7.523 0.122 1.00 0.00 H new ATOM 245 N LYS A 20 -12.855 -5.382 -2.088 1.00 0.00 N ATOM 246 CA LYS A 20 -13.956 -4.671 -2.758 1.00 0.00 C ATOM 247 C LYS A 20 -14.420 -3.486 -1.875 1.00 0.00 C ATOM 248 O LYS A 20 -14.588 -2.346 -2.353 1.00 0.00 O ATOM 249 CB LYS A 20 -15.148 -5.620 -3.008 1.00 0.00 C ATOM 250 CG LYS A 20 -14.790 -7.012 -3.554 1.00 0.00 C ATOM 251 CD LYS A 20 -14.150 -6.995 -4.912 1.00 0.00 C ATOM 252 CE LYS A 20 -15.130 -6.633 -6.006 1.00 0.00 C ATOM 253 NZ LYS A 20 -16.186 -7.657 -6.190 1.00 0.00 N ATOM 0 H LYS A 20 -13.043 -6.368 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.596 -4.301 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.691 -5.746 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.830 -5.139 -3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.115 -7.502 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.696 -7.616 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.327 -6.280 -4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.722 -7.975 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.595 -5.676 -5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.590 -6.502 -6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.659 -7.507 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.758 -8.604 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.883 -7.578 -5.422 1.00 0.00 H new ATOM 267 N LYS A 21 -14.475 -3.732 -0.587 1.00 0.00 N ATOM 268 CA LYS A 21 -15.013 -2.789 0.375 1.00 0.00 C ATOM 269 C LYS A 21 -13.949 -1.761 0.743 1.00 0.00 C ATOM 270 O LYS A 21 -14.245 -0.610 1.100 1.00 0.00 O ATOM 271 CB LYS A 21 -15.427 -3.569 1.594 1.00 0.00 C ATOM 272 CG LYS A 21 -16.410 -4.659 1.267 1.00 0.00 C ATOM 273 CD LYS A 21 -16.456 -5.691 2.348 1.00 0.00 C ATOM 274 CE LYS A 21 -17.392 -6.807 1.959 1.00 0.00 C ATOM 275 NZ LYS A 21 -17.399 -7.907 2.941 1.00 0.00 N ATOM 0 H LYS A 21 -14.144 -4.602 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.868 -2.257 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.544 -4.007 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.869 -2.891 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.402 -4.228 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.134 -5.130 0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.457 -6.089 2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.788 -5.237 3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.402 -6.410 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.101 -7.197 0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.058 -8.648 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.442 -8.306 3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.702 -7.544 3.867 1.00 0.00 H new ATOM 289 N ALA A 22 -12.707 -2.159 0.605 1.00 0.00 N ATOM 290 CA ALA A 22 -11.612 -1.324 0.951 1.00 0.00 C ATOM 291 C ALA A 22 -11.332 -0.335 -0.151 1.00 0.00 C ATOM 292 O ALA A 22 -11.033 0.832 0.115 1.00 0.00 O ATOM 293 CB ALA A 22 -10.402 -2.165 1.221 1.00 0.00 C ATOM 0 H ALA A 22 -12.440 -3.076 0.247 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.864 -0.765 1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.563 -1.521 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.610 -2.848 2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.151 -2.739 0.329 1.00 0.00 H new ATOM 299 N LEU A 23 -11.482 -0.778 -1.396 1.00 0.00 N ATOM 300 CA LEU A 23 -11.199 0.084 -2.544 1.00 0.00 C ATOM 301 C LEU A 23 -12.331 1.052 -2.767 1.00 0.00 C ATOM 302 O LEU A 23 -12.238 1.955 -3.580 1.00 0.00 O ATOM 303 CB LEU A 23 -10.893 -0.697 -3.813 1.00 0.00 C ATOM 304 CG LEU A 23 -9.908 -1.857 -3.661 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.521 -2.446 -4.982 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.688 -1.527 -2.787 1.00 0.00 C ATOM 0 H LEU A 23 -11.795 -1.719 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.295 0.643 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.829 -1.090 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.498 -0.005 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.450 -2.627 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.821 -3.266 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.411 -2.821 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.050 -1.680 -5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.037 -2.399 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.140 -0.694 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.021 -1.254 -1.786 1.00 0.00 H new ATOM 318 N VAL A 24 -13.415 0.836 -2.074 1.00 0.00 N ATOM 319 CA VAL A 24 -14.462 1.841 -2.012 1.00 0.00 C ATOM 320 C VAL A 24 -13.906 3.122 -1.363 1.00 0.00 C ATOM 321 O VAL A 24 -14.110 4.241 -1.838 1.00 0.00 O ATOM 322 CB VAL A 24 -15.642 1.357 -1.134 1.00 0.00 C ATOM 323 CG1 VAL A 24 -16.622 2.482 -0.899 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.339 0.184 -1.771 1.00 0.00 C ATOM 0 H VAL A 24 -13.604 -0.016 -1.546 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.806 2.027 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.239 1.036 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.445 2.124 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.117 3.304 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.012 2.830 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.164 -0.138 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.726 0.477 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.633 -0.637 -1.892 1.00 0.00 H new ATOM 334 N ASN A 25 -13.141 2.926 -0.322 1.00 0.00 N ATOM 335 CA ASN A 25 -12.697 4.013 0.529 1.00 0.00 C ATOM 336 C ASN A 25 -11.267 4.424 0.240 1.00 0.00 C ATOM 337 O ASN A 25 -10.666 5.157 1.021 1.00 0.00 O ATOM 338 CB ASN A 25 -12.826 3.598 2.010 1.00 0.00 C ATOM 339 CG ASN A 25 -14.262 3.400 2.472 1.00 0.00 C ATOM 340 OD1 ASN A 25 -14.912 4.345 2.919 1.00 0.00 O ATOM 341 ND2 ASN A 25 -14.764 2.177 2.397 1.00 0.00 N ATOM 0 H ASN A 25 -12.804 2.007 -0.034 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.334 4.872 0.320 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.273 2.672 2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.356 4.359 2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -15.716 1.996 2.715 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -14.199 1.416 2.021 1.00 0.00 H new ATOM 348 N VAL A 26 -10.729 4.009 -0.884 1.00 0.00 N ATOM 349 CA VAL A 26 -9.316 4.308 -1.179 1.00 0.00 C ATOM 350 C VAL A 26 -9.085 5.636 -1.847 1.00 0.00 C ATOM 351 O VAL A 26 -9.982 6.228 -2.463 1.00 0.00 O ATOM 352 CB VAL A 26 -8.647 3.275 -2.094 1.00 0.00 C ATOM 353 CG1 VAL A 26 -8.409 1.977 -1.417 1.00 0.00 C ATOM 354 CG2 VAL A 26 -9.430 3.091 -3.361 1.00 0.00 C ATOM 0 H VAL A 26 -11.219 3.476 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.878 4.300 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.666 3.674 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.934 1.286 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.758 2.130 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.360 1.561 -1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.934 2.353 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.435 2.745 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.491 4.041 -3.892 1.00 0.00 H new ATOM 364 N GLU A 27 -7.878 6.082 -1.689 1.00 0.00 N ATOM 365 CA GLU A 27 -7.317 7.146 -2.435 1.00 0.00 C ATOM 366 C GLU A 27 -6.155 6.595 -3.207 1.00 0.00 C ATOM 367 O GLU A 27 -5.066 6.366 -2.689 1.00 0.00 O ATOM 368 CB GLU A 27 -6.885 8.342 -1.619 1.00 0.00 C ATOM 369 CG GLU A 27 -6.219 8.034 -0.320 1.00 0.00 C ATOM 370 CD GLU A 27 -7.183 7.949 0.839 1.00 0.00 C ATOM 371 OE1 GLU A 27 -7.866 6.934 0.995 1.00 0.00 O ATOM 372 OE2 GLU A 27 -7.300 8.923 1.603 1.00 0.00 O ATOM 0 H GLU A 27 -7.233 5.690 -1.002 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.101 7.532 -3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.204 8.943 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.762 8.958 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.684 7.088 -0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.475 8.803 -0.110 1.00 0.00 H new ATOM 379 N TRP A 28 -6.430 6.303 -4.397 1.00 0.00 N ATOM 380 CA TRP A 28 -5.485 5.725 -5.307 1.00 0.00 C ATOM 381 C TRP A 28 -4.259 6.549 -5.522 1.00 0.00 C ATOM 382 O TRP A 28 -4.334 7.741 -5.828 1.00 0.00 O ATOM 383 CB TRP A 28 -6.132 5.366 -6.605 1.00 0.00 C ATOM 384 CG TRP A 28 -6.941 4.147 -6.485 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.254 4.010 -6.711 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.471 2.882 -6.065 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.638 2.727 -6.478 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.557 2.019 -6.076 1.00 0.00 C ATOM 389 CE3 TRP A 28 -5.229 2.396 -5.686 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.448 0.712 -5.726 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -5.124 1.089 -5.329 1.00 0.00 C ATOM 392 CH2 TRP A 28 -6.227 0.264 -5.352 1.00 0.00 C ATOM 0 H TRP A 28 -7.351 6.456 -4.808 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.139 4.811 -4.824 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.762 6.190 -6.939 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.366 5.222 -7.367 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.912 4.804 -7.032 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.583 2.359 -6.588 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.364 3.042 -5.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.304 0.054 -5.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.166 0.693 -5.024 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.114 -0.770 -5.063 1.00 0.00 H new ATOM 403 N ASN A 29 -3.121 5.890 -5.313 1.00 0.00 N ATOM 404 CA ASN A 29 -1.799 6.470 -5.486 1.00 0.00 C ATOM 405 C ASN A 29 -1.523 7.536 -4.478 1.00 0.00 C ATOM 406 O ASN A 29 -0.648 8.381 -4.649 1.00 0.00 O ATOM 407 CB ASN A 29 -1.571 6.917 -6.923 1.00 0.00 C ATOM 408 CG ASN A 29 -1.208 5.771 -7.802 1.00 0.00 C ATOM 409 OD1 ASN A 29 -2.070 5.120 -8.393 1.00 0.00 O ATOM 410 ND2 ASN A 29 0.048 5.495 -7.882 1.00 0.00 N ATOM 0 H ASN A 29 -3.096 4.916 -5.012 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.063 5.690 -5.294 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.473 7.396 -7.303 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.777 7.664 -6.951 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.362 4.710 -8.452 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.728 6.062 -7.375 1.00 0.00 H new ATOM 417 N ILE A 30 -2.259 7.454 -3.400 1.00 0.00 N ATOM 418 CA ILE A 30 -2.118 8.312 -2.291 1.00 0.00 C ATOM 419 C ILE A 30 -1.972 7.438 -1.077 1.00 0.00 C ATOM 420 O ILE A 30 -2.914 6.739 -0.729 1.00 0.00 O ATOM 421 CB ILE A 30 -3.383 9.210 -2.107 1.00 0.00 C ATOM 422 CG1 ILE A 30 -3.588 10.095 -3.342 1.00 0.00 C ATOM 423 CG2 ILE A 30 -3.274 10.062 -0.828 1.00 0.00 C ATOM 424 CD1 ILE A 30 -4.820 10.963 -3.321 1.00 0.00 C ATOM 0 H ILE A 30 -2.995 6.757 -3.283 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.257 8.964 -2.438 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.253 8.563 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.715 10.737 -3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.631 9.455 -4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.167 10.678 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.181 9.407 0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.396 10.705 -0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.869 11.547 -4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.707 10.334 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.776 11.636 -2.465 1.00 0.00 H new ATOM 436 N CYS A 31 -0.773 7.357 -0.516 1.00 0.00 N ATOM 437 CA CYS A 31 -0.620 6.700 0.770 1.00 0.00 C ATOM 438 C CYS A 31 -1.546 7.359 1.768 1.00 0.00 C ATOM 439 O CYS A 31 -1.302 8.482 2.225 1.00 0.00 O ATOM 440 CB CYS A 31 0.847 6.668 1.270 1.00 0.00 C ATOM 441 SG CYS A 31 1.082 6.243 3.008 1.00 0.00 S ATOM 0 H CYS A 31 0.087 7.728 -0.920 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.896 5.652 0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.401 5.952 0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.292 7.647 1.093 1.00 0.00 H new ATOM 0 HG CYS A 31 1.678 7.224 3.618 1.00 0.00 H new ATOM 446 N GLN A 32 -2.624 6.654 2.058 1.00 0.00 N ATOM 447 CA GLN A 32 -3.689 7.102 2.953 1.00 0.00 C ATOM 448 C GLN A 32 -3.075 7.481 4.257 1.00 0.00 C ATOM 449 O GLN A 32 -3.396 8.499 4.849 1.00 0.00 O ATOM 450 CB GLN A 32 -4.662 5.959 3.225 1.00 0.00 C ATOM 451 CG GLN A 32 -4.959 5.113 2.041 1.00 0.00 C ATOM 452 CD GLN A 32 -6.074 4.168 2.339 1.00 0.00 C ATOM 453 OE1 GLN A 32 -5.860 3.062 2.818 1.00 0.00 O ATOM 454 NE2 GLN A 32 -7.264 4.584 2.074 1.00 0.00 N ATOM 0 H GLN A 32 -2.793 5.726 1.669 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.214 7.939 2.493 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.252 5.328 4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.596 6.375 3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.227 5.744 1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.068 4.554 1.753 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.403 5.512 1.675 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.068 3.985 2.263 1.00 0.00 H new ATOM 463 N ASP A 33 -2.125 6.677 4.645 1.00 0.00 N ATOM 464 CA ASP A 33 -1.441 6.814 5.910 1.00 0.00 C ATOM 465 C ASP A 33 -0.558 8.082 5.969 1.00 0.00 C ATOM 466 O ASP A 33 -0.134 8.471 7.015 1.00 0.00 O ATOM 467 CB ASP A 33 -0.655 5.543 6.218 1.00 0.00 C ATOM 468 CG ASP A 33 -0.214 5.431 7.664 1.00 0.00 C ATOM 469 OD1 ASP A 33 -0.955 5.858 8.573 1.00 0.00 O ATOM 470 OD2 ASP A 33 0.856 4.855 7.915 1.00 0.00 O ATOM 0 H ASP A 33 -1.795 5.892 4.084 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.192 6.946 6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.269 4.678 5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.225 5.507 5.576 1.00 0.00 H new ATOM 475 N CYS A 34 -0.268 8.726 4.809 1.00 0.00 N ATOM 476 CA CYS A 34 0.409 9.987 4.787 1.00 0.00 C ATOM 477 C CYS A 34 -0.565 11.106 5.054 1.00 0.00 C ATOM 478 O CYS A 34 -0.217 12.155 5.602 1.00 0.00 O ATOM 479 CB CYS A 34 1.049 10.215 3.438 1.00 0.00 C ATOM 480 SG CYS A 34 2.731 9.617 3.203 1.00 0.00 S ATOM 0 H CYS A 34 -0.507 8.364 3.886 1.00 0.00 H new ATOM 0 HA CYS A 34 1.177 9.973 5.561 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.417 9.747 2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.042 11.287 3.240 1.00 0.00 H new ATOM 0 HG CYS A 34 3.016 8.750 4.128 1.00 0.00 H new ATOM 485 N LYS A 35 -1.781 10.870 4.693 1.00 0.00 N ATOM 486 CA LYS A 35 -2.808 11.867 4.822 1.00 0.00 C ATOM 487 C LYS A 35 -3.277 11.839 6.208 1.00 0.00 C ATOM 488 O LYS A 35 -3.199 12.831 6.921 1.00 0.00 O ATOM 489 CB LYS A 35 -3.995 11.547 3.934 1.00 0.00 C ATOM 490 CG LYS A 35 -3.639 11.111 2.584 1.00 0.00 C ATOM 491 CD LYS A 35 -2.794 12.145 1.843 1.00 0.00 C ATOM 492 CE LYS A 35 -3.544 13.444 1.570 1.00 0.00 C ATOM 493 NZ LYS A 35 -4.686 13.246 0.654 1.00 0.00 N ATOM 0 H LYS A 35 -2.098 9.984 4.300 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.400 12.837 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.589 10.767 4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.628 12.431 3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.090 10.171 2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.549 10.915 2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.901 12.364 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.458 11.721 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.903 13.859 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.858 14.174 1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.094 14.169 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.360 12.765 -0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.410 12.664 1.122 1.00 0.00 H new ATOM 762 N PRO A 52 6.941 8.650 -3.912 1.00 0.00 N ATOM 763 CA PRO A 52 7.472 7.367 -3.524 1.00 0.00 C ATOM 764 C PRO A 52 6.615 6.247 -4.055 1.00 0.00 C ATOM 765 O PRO A 52 5.538 6.493 -4.610 1.00 0.00 O ATOM 766 CB PRO A 52 7.370 7.431 -1.998 1.00 0.00 C ATOM 767 CG PRO A 52 6.190 8.272 -1.741 1.00 0.00 C ATOM 768 CD PRO A 52 6.216 9.301 -2.801 1.00 0.00 C ATOM 0 HA PRO A 52 8.477 7.178 -3.900 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.250 6.437 -1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.269 7.863 -1.558 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.272 7.686 -1.782 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.236 8.724 -0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.209 9.593 -3.098 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.725 10.205 -2.467 1.00 0.00 H new ATOM 776 N SER A 53 7.096 5.044 -3.932 1.00 0.00 N ATOM 777 CA SER A 53 6.336 3.922 -4.300 1.00 0.00 C ATOM 778 C SER A 53 5.119 3.831 -3.394 1.00 0.00 C ATOM 779 O SER A 53 5.230 3.958 -2.166 1.00 0.00 O ATOM 780 CB SER A 53 7.208 2.680 -4.227 1.00 0.00 C ATOM 781 OG SER A 53 7.962 2.640 -3.002 1.00 0.00 O ATOM 0 H SER A 53 8.026 4.831 -3.573 1.00 0.00 H new ATOM 0 HA SER A 53 5.980 4.011 -5.326 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.583 1.790 -4.301 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.890 2.662 -5.077 1.00 0.00 H new ATOM 0 HG SER A 53 8.901 2.847 -3.189 1.00 0.00 H new ATOM 787 N VAL A 54 3.984 3.679 -3.985 1.00 0.00 N ATOM 788 CA VAL A 54 2.774 3.610 -3.229 1.00 0.00 C ATOM 789 C VAL A 54 2.283 2.203 -3.260 1.00 0.00 C ATOM 790 O VAL A 54 1.830 1.706 -4.283 1.00 0.00 O ATOM 791 CB VAL A 54 1.691 4.611 -3.714 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.431 4.467 -2.896 1.00 0.00 C ATOM 793 CG2 VAL A 54 2.209 6.027 -3.582 1.00 0.00 C ATOM 0 H VAL A 54 3.865 3.599 -4.995 1.00 0.00 H new ATOM 0 HA VAL A 54 2.988 3.909 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 54 1.464 4.394 -4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.316 5.177 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.045 3.453 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.653 4.667 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.446 6.727 -3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.448 6.231 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.107 6.144 -4.189 1.00 0.00 H new ATOM 803 N TRP A 55 2.435 1.556 -2.173 1.00 0.00 N ATOM 804 CA TRP A 55 2.101 0.189 -2.055 1.00 0.00 C ATOM 805 C TRP A 55 0.723 0.028 -1.445 1.00 0.00 C ATOM 806 O TRP A 55 0.419 0.587 -0.388 1.00 0.00 O ATOM 807 CB TRP A 55 3.162 -0.545 -1.240 1.00 0.00 C ATOM 808 CG TRP A 55 4.539 -0.515 -1.847 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.465 0.452 -1.686 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.146 -1.510 -2.697 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.609 0.137 -2.371 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.440 -1.060 -2.998 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.724 -2.729 -3.228 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.315 -1.783 -3.800 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.591 -3.448 -4.026 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.874 -2.975 -4.301 1.00 0.00 C ATOM 0 H TRP A 55 2.804 1.970 -1.317 1.00 0.00 H new ATOM 0 HA TRP A 55 2.075 -0.255 -3.050 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.207 -0.105 -0.244 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.855 -1.583 -1.116 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.325 1.348 -1.100 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.453 0.708 -2.406 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.734 -3.105 -3.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.307 -1.416 -4.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.271 -4.391 -4.444 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.532 -3.563 -4.923 1.00 0.00 H new ATOM 827 N LEU A 56 -0.104 -0.685 -2.137 1.00 0.00 N ATOM 828 CA LEU A 56 -1.424 -0.986 -1.677 1.00 0.00 C ATOM 829 C LEU A 56 -1.447 -2.365 -1.063 1.00 0.00 C ATOM 830 O LEU A 56 -1.083 -3.338 -1.717 1.00 0.00 O ATOM 831 CB LEU A 56 -2.437 -0.967 -2.802 1.00 0.00 C ATOM 832 CG LEU A 56 -3.835 -1.390 -2.362 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.713 -0.215 -2.036 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.464 -2.332 -3.337 1.00 0.00 C ATOM 0 H LEU A 56 0.119 -1.081 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.689 -0.221 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.484 0.038 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.098 -1.630 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.721 -1.943 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.697 -0.570 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.265 0.360 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.815 0.418 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.458 -2.609 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.544 -1.848 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.849 -3.227 -3.427 1.00 0.00 H new ATOM 846 N CYS A 57 -1.881 -2.438 0.163 1.00 0.00 N ATOM 847 CA CYS A 57 -2.030 -3.677 0.881 1.00 0.00 C ATOM 848 C CYS A 57 -3.112 -4.513 0.195 1.00 0.00 C ATOM 849 O CYS A 57 -4.280 -4.154 0.239 1.00 0.00 O ATOM 850 CB CYS A 57 -2.464 -3.334 2.314 1.00 0.00 C ATOM 851 SG CYS A 57 -2.379 -4.675 3.548 1.00 0.00 S ATOM 0 H CYS A 57 -2.149 -1.618 0.707 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.098 -4.242 0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.845 -2.509 2.667 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.491 -2.970 2.279 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.256 -4.164 4.737 1.00 0.00 H new ATOM 856 N LEU A 58 -2.726 -5.636 -0.405 1.00 0.00 N ATOM 857 CA LEU A 58 -3.647 -6.533 -1.116 1.00 0.00 C ATOM 858 C LEU A 58 -4.532 -7.254 -0.149 1.00 0.00 C ATOM 859 O LEU A 58 -5.432 -7.990 -0.513 1.00 0.00 O ATOM 860 CB LEU A 58 -2.811 -7.506 -1.915 1.00 0.00 C ATOM 861 CG LEU A 58 -2.231 -6.936 -3.191 1.00 0.00 C ATOM 862 CD1 LEU A 58 -0.958 -7.632 -3.558 1.00 0.00 C ATOM 863 CD2 LEU A 58 -3.226 -7.131 -4.300 1.00 0.00 C ATOM 0 H LEU A 58 -1.758 -5.956 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.297 -5.964 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.994 -7.864 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.424 -8.372 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.019 -5.878 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.562 -7.204 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.230 -7.506 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.154 -8.694 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.822 -6.725 -5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.426 -8.195 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.153 -6.615 -4.052 1.00 0.00 H new ATOM 875 N LYS A 59 -4.215 -7.070 1.077 1.00 0.00 N ATOM 876 CA LYS A 59 -4.957 -7.609 2.151 1.00 0.00 C ATOM 877 C LYS A 59 -6.110 -6.690 2.585 1.00 0.00 C ATOM 878 O LYS A 59 -7.222 -7.156 2.768 1.00 0.00 O ATOM 879 CB LYS A 59 -4.025 -7.925 3.324 1.00 0.00 C ATOM 880 CG LYS A 59 -4.736 -8.505 4.511 1.00 0.00 C ATOM 881 CD LYS A 59 -5.464 -9.785 4.115 1.00 0.00 C ATOM 882 CE LYS A 59 -5.823 -10.721 5.273 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.775 -10.188 6.252 1.00 0.00 N ATOM 0 H LYS A 59 -3.406 -6.522 1.370 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.417 -8.535 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.259 -8.625 2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.513 -7.012 3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.020 -8.716 5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.448 -7.781 4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.381 -9.514 3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.842 -10.333 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.235 -11.641 4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.905 -10.990 5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.745 -10.766 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.522 -9.206 6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.735 -10.213 5.852 1.00 0.00 H new ATOM 897 N CYS A 60 -5.843 -5.402 2.766 1.00 0.00 N ATOM 898 CA CYS A 60 -6.903 -4.509 3.283 1.00 0.00 C ATOM 899 C CYS A 60 -7.140 -3.230 2.467 1.00 0.00 C ATOM 900 O CYS A 60 -7.882 -2.359 2.906 1.00 0.00 O ATOM 901 CB CYS A 60 -6.596 -4.118 4.699 1.00 0.00 C ATOM 902 SG CYS A 60 -5.267 -2.911 4.828 1.00 0.00 S ATOM 0 H CYS A 60 -4.946 -4.956 2.576 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.819 -5.094 3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.495 -3.709 5.160 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.325 -5.009 5.265 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.160 -3.436 4.393 1.00 0.00 H new ATOM 907 N GLY A 61 -6.486 -3.089 1.357 1.00 0.00 N ATOM 908 CA GLY A 61 -6.696 -1.916 0.507 1.00 0.00 C ATOM 909 C GLY A 61 -6.149 -0.613 1.108 1.00 0.00 C ATOM 910 O GLY A 61 -6.658 0.467 0.836 1.00 0.00 O ATOM 0 H GLY A 61 -5.801 -3.757 1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.221 -2.088 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.764 -1.800 0.320 1.00 0.00 H new ATOM 914 N HIS A 62 -5.173 -0.746 1.965 1.00 0.00 N ATOM 915 CA HIS A 62 -4.477 0.393 2.554 1.00 0.00 C ATOM 916 C HIS A 62 -3.279 0.805 1.710 1.00 0.00 C ATOM 917 O HIS A 62 -2.419 -0.029 1.410 1.00 0.00 O ATOM 918 CB HIS A 62 -4.000 0.024 3.961 1.00 0.00 C ATOM 919 CG HIS A 62 -3.182 1.073 4.661 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.800 1.102 4.648 1.00 0.00 N ATOM 921 CD2 HIS A 62 -3.570 2.108 5.428 1.00 0.00 C ATOM 922 CE1 HIS A 62 -1.404 2.126 5.398 1.00 0.00 C ATOM 923 NE2 HIS A 62 -2.440 2.776 5.899 1.00 0.00 N ATOM 0 H HIS A 62 -4.827 -1.651 2.284 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.171 1.232 2.598 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.872 -0.201 4.574 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.410 -0.890 3.898 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.191 0.452 4.151 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.593 2.378 5.644 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.372 2.392 5.574 1.00 0.00 H new ATOM 931 N GLN A 63 -3.221 2.066 1.338 1.00 0.00 N ATOM 932 CA GLN A 63 -2.058 2.580 0.643 1.00 0.00 C ATOM 933 C GLN A 63 -1.044 3.161 1.581 1.00 0.00 C ATOM 934 O GLN A 63 -1.353 3.982 2.458 1.00 0.00 O ATOM 935 CB GLN A 63 -2.344 3.585 -0.449 1.00 0.00 C ATOM 936 CG GLN A 63 -3.032 3.033 -1.647 1.00 0.00 C ATOM 937 CD GLN A 63 -4.539 3.178 -1.593 1.00 0.00 C ATOM 938 OE1 GLN A 63 -5.148 3.187 -0.547 1.00 0.00 O ATOM 939 NE2 GLN A 63 -5.138 3.289 -2.727 1.00 0.00 N ATOM 0 H GLN A 63 -3.959 2.750 1.503 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.657 1.692 0.155 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.956 4.386 -0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.402 4.034 -0.764 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.657 3.538 -2.537 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.779 1.978 -1.749 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.598 3.278 -3.592 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.153 3.388 -2.760 1.00 0.00 H new ATOM 948 N GLY A 64 0.141 2.726 1.388 1.00 0.00 N ATOM 949 CA GLY A 64 1.247 3.151 2.136 1.00 0.00 C ATOM 950 C GLY A 64 2.419 3.391 1.265 1.00 0.00 C ATOM 951 O GLY A 64 2.593 2.753 0.250 1.00 0.00 O ATOM 0 H GLY A 64 0.371 2.035 0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.996 4.065 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.494 2.398 2.885 1.00 0.00 H new ATOM 955 N CYS A 65 3.200 4.322 1.655 1.00 0.00 N ATOM 956 CA CYS A 65 4.337 4.710 0.915 1.00 0.00 C ATOM 957 C CYS A 65 5.486 3.782 1.270 1.00 0.00 C ATOM 958 O CYS A 65 5.681 3.445 2.462 1.00 0.00 O ATOM 959 CB CYS A 65 4.628 6.169 1.203 1.00 0.00 C ATOM 960 SG CYS A 65 4.822 6.543 2.952 1.00 0.00 S ATOM 0 H CYS A 65 3.064 4.849 2.518 1.00 0.00 H new ATOM 0 HA CYS A 65 4.175 4.623 -0.159 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.538 6.459 0.677 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.819 6.777 0.799 1.00 0.00 H new ATOM 0 HG CYS A 65 4.254 7.682 3.218 1.00 0.00 H new ATOM 965 N GLY A 66 6.184 3.334 0.266 1.00 0.00 N ATOM 966 CA GLY A 66 7.209 2.355 0.440 1.00 0.00 C ATOM 967 C GLY A 66 8.574 2.902 0.749 1.00 0.00 C ATOM 968 O GLY A 66 8.724 3.881 1.471 1.00 0.00 O ATOM 0 H GLY A 66 6.055 3.641 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.914 1.683 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.273 1.755 -0.468 1.00 0.00 H new ATOM 972 N ARG A 67 9.557 2.297 0.127 1.00 0.00 N ATOM 973 CA ARG A 67 10.978 2.496 0.436 1.00 0.00 C ATOM 974 C ARG A 67 11.467 3.896 0.133 1.00 0.00 C ATOM 975 O ARG A 67 12.362 4.398 0.789 1.00 0.00 O ATOM 976 CB ARG A 67 11.804 1.492 -0.360 1.00 0.00 C ATOM 977 CG ARG A 67 11.306 0.076 -0.204 1.00 0.00 C ATOM 978 CD ARG A 67 12.121 -0.926 -1.003 1.00 0.00 C ATOM 979 NE ARG A 67 13.538 -0.912 -0.642 1.00 0.00 N ATOM 980 CZ ARG A 67 14.196 -1.913 -0.045 1.00 0.00 C ATOM 981 NH1 ARG A 67 13.539 -2.991 0.392 1.00 0.00 N ATOM 982 NH2 ARG A 67 15.506 -1.819 0.139 1.00 0.00 N ATOM 0 H ARG A 67 9.401 1.632 -0.631 1.00 0.00 H new ATOM 0 HA ARG A 67 11.097 2.346 1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.784 1.766 -1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.844 1.545 -0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.332 -0.199 0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.264 0.025 -0.521 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.719 -1.926 -0.843 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.018 -0.707 -2.066 1.00 0.00 H new ATOM 0 HE ARG A 67 14.069 -0.070 -0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.528 -3.056 0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.048 -3.749 0.846 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.007 -0.987 -0.174 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.013 -2.579 0.593 1.00 0.00 H new ATOM 996 N ASN A 68 10.840 4.534 -0.809 1.00 0.00 N ATOM 997 CA ASN A 68 11.315 5.823 -1.300 1.00 0.00 C ATOM 998 C ASN A 68 10.732 6.962 -0.494 1.00 0.00 C ATOM 999 O ASN A 68 10.842 8.115 -0.890 1.00 0.00 O ATOM 1000 CB ASN A 68 10.887 6.019 -2.754 1.00 0.00 C ATOM 1001 CG ASN A 68 11.053 4.788 -3.596 1.00 0.00 C ATOM 1002 OD1 ASN A 68 10.134 3.988 -3.697 1.00 0.00 O ATOM 1003 ND2 ASN A 68 12.184 4.603 -4.179 1.00 0.00 N ATOM 0 H ASN A 68 9.993 4.193 -1.264 1.00 0.00 H new ATOM 0 HA ASN A 68 12.401 5.825 -1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.842 6.329 -2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.470 6.830 -3.190 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.335 3.769 -4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.930 5.290 -4.074 1.00 0.00 H new ATOM 1010 N SER A 69 10.120 6.671 0.621 1.00 0.00 N ATOM 1011 CA SER A 69 9.487 7.717 1.352 1.00 0.00 C ATOM 1012 C SER A 69 10.243 8.026 2.648 1.00 0.00 C ATOM 1013 O SER A 69 11.074 7.228 3.102 1.00 0.00 O ATOM 1014 CB SER A 69 8.047 7.344 1.629 1.00 0.00 C ATOM 1015 OG SER A 69 7.961 6.209 2.461 1.00 0.00 O ATOM 0 H SER A 69 10.050 5.739 1.030 1.00 0.00 H new ATOM 0 HA SER A 69 9.503 8.626 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.537 8.183 2.102 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.533 7.147 0.688 1.00 0.00 H new ATOM 0 HG SER A 69 7.032 6.084 2.748 1.00 0.00 H new ATOM 1021 N GLN A 70 9.951 9.176 3.233 1.00 0.00 N ATOM 1022 CA GLN A 70 10.525 9.618 4.444 1.00 0.00 C ATOM 1023 C GLN A 70 9.922 8.867 5.640 1.00 0.00 C ATOM 1024 O GLN A 70 10.545 8.762 6.710 1.00 0.00 O ATOM 1025 CB GLN A 70 10.208 11.090 4.557 1.00 0.00 C ATOM 1026 CG GLN A 70 10.922 11.991 3.557 1.00 0.00 C ATOM 1027 CD GLN A 70 12.419 12.068 3.782 1.00 0.00 C ATOM 1028 OE1 GLN A 70 13.188 11.280 3.234 1.00 0.00 O ATOM 1029 NE2 GLN A 70 12.843 13.014 4.570 1.00 0.00 N ATOM 0 H GLN A 70 9.278 9.836 2.843 1.00 0.00 H new ATOM 0 HA GLN A 70 11.599 9.434 4.449 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.133 11.223 4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.460 11.422 5.564 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.732 11.625 2.548 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.500 12.994 3.617 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.177 13.650 5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.842 13.119 4.749 1.00 0.00 H new ATOM 1038 N GLU A 71 8.724 8.338 5.443 1.00 0.00 N ATOM 1039 CA GLU A 71 7.997 7.661 6.506 1.00 0.00 C ATOM 1040 C GLU A 71 8.005 6.156 6.387 1.00 0.00 C ATOM 1041 O GLU A 71 8.018 5.477 7.397 1.00 0.00 O ATOM 1042 CB GLU A 71 6.558 8.122 6.523 1.00 0.00 C ATOM 1043 CG GLU A 71 6.346 9.480 7.126 1.00 0.00 C ATOM 1044 CD GLU A 71 6.708 9.493 8.587 1.00 0.00 C ATOM 1045 OE1 GLU A 71 6.128 8.703 9.366 1.00 0.00 O ATOM 1046 OE2 GLU A 71 7.598 10.260 8.983 1.00 0.00 O ATOM 0 H GLU A 71 8.232 8.365 4.550 1.00 0.00 H new ATOM 0 HA GLU A 71 8.514 7.923 7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.180 8.129 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.964 7.396 7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.949 10.215 6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.304 9.775 7.005 1.00 0.00 H new ATOM 1053 N GLN A 72 7.981 5.644 5.160 1.00 0.00 N ATOM 1054 CA GLN A 72 7.928 4.198 4.916 1.00 0.00 C ATOM 1055 C GLN A 72 6.746 3.553 5.663 1.00 0.00 C ATOM 1056 O GLN A 72 6.875 2.532 6.325 1.00 0.00 O ATOM 1057 CB GLN A 72 9.282 3.536 5.229 1.00 0.00 C ATOM 1058 CG GLN A 72 10.341 3.938 4.235 1.00 0.00 C ATOM 1059 CD GLN A 72 11.600 3.241 4.417 1.00 0.00 C ATOM 1060 OE1 GLN A 72 12.499 3.700 5.134 1.00 0.00 O ATOM 1061 NE2 GLN A 72 11.704 2.147 3.801 1.00 0.00 N ATOM 0 H GLN A 72 7.997 6.210 4.311 1.00 0.00 H new ATOM 0 HA GLN A 72 7.744 4.029 3.855 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.600 3.816 6.233 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.168 2.452 5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.972 3.749 3.227 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.514 5.011 4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 72 10.934 1.812 3.222 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.559 1.596 3.881 1.00 0.00 H new ATOM 1070 N HIS A 73 5.569 4.174 5.501 1.00 0.00 N ATOM 1071 CA HIS A 73 4.365 3.782 6.142 1.00 0.00 C ATOM 1072 C HIS A 73 3.938 2.350 5.797 1.00 0.00 C ATOM 1073 O HIS A 73 3.291 1.698 6.596 1.00 0.00 O ATOM 1074 CB HIS A 73 3.282 4.758 5.773 1.00 0.00 C ATOM 1075 CG HIS A 73 3.295 6.102 6.485 1.00 0.00 C ATOM 1076 ND1 HIS A 73 3.038 7.245 5.796 1.00 0.00 N ATOM 1077 CD2 HIS A 73 3.386 6.404 7.808 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.960 8.203 6.655 1.00 0.00 C ATOM 1079 NE2 HIS A 73 3.164 7.756 7.905 1.00 0.00 N ATOM 0 H HIS A 73 5.455 4.986 4.895 1.00 0.00 H new ATOM 0 HA HIS A 73 4.540 3.792 7.218 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.342 4.942 4.700 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.319 4.283 5.962 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.591 5.720 8.618 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.757 9.233 6.402 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.156 8.312 8.760 1.00 0.00 H new ATOM 1087 N ALA A 74 4.294 1.883 4.610 1.00 0.00 N ATOM 1088 CA ALA A 74 4.003 0.498 4.204 1.00 0.00 C ATOM 1089 C ALA A 74 4.778 -0.477 5.095 1.00 0.00 C ATOM 1090 O ALA A 74 4.251 -1.521 5.549 1.00 0.00 O ATOM 1091 CB ALA A 74 4.369 0.291 2.739 1.00 0.00 C ATOM 0 H ALA A 74 4.784 2.434 3.905 1.00 0.00 H new ATOM 0 HA ALA A 74 2.936 0.308 4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.149 -0.737 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.788 0.974 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.432 0.488 2.598 1.00 0.00 H new ATOM 1097 N LEU A 75 5.982 -0.078 5.427 1.00 0.00 N ATOM 1098 CA LEU A 75 6.863 -0.860 6.258 1.00 0.00 C ATOM 1099 C LEU A 75 6.289 -0.865 7.663 1.00 0.00 C ATOM 1100 O LEU A 75 6.129 -1.918 8.270 1.00 0.00 O ATOM 1101 CB LEU A 75 8.307 -0.289 6.235 1.00 0.00 C ATOM 1102 CG LEU A 75 9.141 -0.428 4.920 1.00 0.00 C ATOM 1103 CD1 LEU A 75 9.394 -1.874 4.596 1.00 0.00 C ATOM 1104 CD2 LEU A 75 8.491 0.263 3.716 1.00 0.00 C ATOM 0 H LEU A 75 6.382 0.810 5.124 1.00 0.00 H new ATOM 0 HA LEU A 75 6.930 -1.881 5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.249 0.771 6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.867 -0.771 7.036 1.00 0.00 H new ATOM 0 HG LEU A 75 10.087 0.078 5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.976 -1.945 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.947 -2.338 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.443 -2.389 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.120 0.129 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.510 -0.175 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.380 1.327 3.924 1.00 0.00 H new ATOM 1116 N LYS A 76 5.944 0.322 8.158 1.00 0.00 N ATOM 1117 CA LYS A 76 5.257 0.487 9.437 1.00 0.00 C ATOM 1118 C LYS A 76 3.968 -0.338 9.523 1.00 0.00 C ATOM 1119 O LYS A 76 3.634 -0.897 10.580 1.00 0.00 O ATOM 1120 CB LYS A 76 4.921 1.957 9.636 1.00 0.00 C ATOM 1121 CG LYS A 76 6.142 2.804 9.709 1.00 0.00 C ATOM 1122 CD LYS A 76 5.821 4.241 9.964 1.00 0.00 C ATOM 1123 CE LYS A 76 7.092 4.952 10.260 1.00 0.00 C ATOM 1124 NZ LYS A 76 6.885 6.369 10.650 1.00 0.00 N ATOM 0 H LYS A 76 6.135 1.202 7.679 1.00 0.00 H new ATOM 0 HA LYS A 76 5.928 0.129 10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.291 2.299 8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.342 2.076 10.552 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.792 2.433 10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.697 2.718 8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.332 4.682 9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.129 4.334 10.801 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.614 4.432 11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.737 4.913 9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.774 6.760 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.586 6.918 9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.150 6.423 11.383 1.00 0.00 H new ATOM 1138 N HIS A 77 3.267 -0.443 8.403 1.00 0.00 N ATOM 1139 CA HIS A 77 1.994 -1.166 8.337 1.00 0.00 C ATOM 1140 C HIS A 77 2.247 -2.645 8.479 1.00 0.00 C ATOM 1141 O HIS A 77 1.426 -3.380 9.047 1.00 0.00 O ATOM 1142 CB HIS A 77 1.256 -0.843 7.037 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.142 -1.392 6.910 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.246 -0.712 7.340 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.612 -2.539 6.324 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.326 -1.420 7.019 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -2.007 -2.536 6.393 1.00 0.00 N ATOM 0 H HIS A 77 3.558 -0.033 7.515 1.00 0.00 H new ATOM 0 HA HIS A 77 1.353 -0.846 9.159 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.209 0.241 6.930 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.849 -1.220 6.204 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.243 0.186 7.825 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.005 -3.315 5.883 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.338 -1.118 7.243 1.00 0.00 H new ATOM 1155 N TYR A 78 3.367 -3.083 7.967 1.00 0.00 N ATOM 1156 CA TYR A 78 3.752 -4.453 8.160 1.00 0.00 C ATOM 1157 C TYR A 78 4.267 -4.677 9.565 1.00 0.00 C ATOM 1158 O TYR A 78 4.093 -5.751 10.136 1.00 0.00 O ATOM 1159 CB TYR A 78 4.786 -4.898 7.159 1.00 0.00 C ATOM 1160 CG TYR A 78 5.146 -6.357 7.333 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.179 -7.339 7.176 1.00 0.00 C ATOM 1162 CD2 TYR A 78 6.434 -6.753 7.694 1.00 0.00 C ATOM 1163 CE1 TYR A 78 4.476 -8.664 7.360 1.00 0.00 C ATOM 1164 CE2 TYR A 78 6.736 -8.089 7.881 1.00 0.00 C ATOM 1165 CZ TYR A 78 5.747 -9.037 7.710 1.00 0.00 C ATOM 1166 OH TYR A 78 6.030 -10.366 7.880 1.00 0.00 O ATOM 0 H TYR A 78 4.019 -2.520 7.421 1.00 0.00 H new ATOM 0 HA TYR A 78 2.857 -5.055 8.007 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.408 -4.735 6.150 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.682 -4.287 7.267 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.173 -7.054 6.904 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.204 -6.008 7.829 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.709 -9.413 7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.736 -8.388 8.158 1.00 0.00 H new ATOM 0 HH TYR A 78 6.973 -10.471 8.126 1.00 0.00 H new ATOM 1176 N LEU A 79 4.889 -3.670 10.142 1.00 0.00 N ATOM 1177 CA LEU A 79 5.415 -3.784 11.487 1.00 0.00 C ATOM 1178 C LEU A 79 4.326 -3.579 12.498 1.00 0.00 C ATOM 1179 O LEU A 79 4.552 -3.702 13.699 1.00 0.00 O ATOM 1180 CB LEU A 79 6.538 -2.775 11.718 1.00 0.00 C ATOM 1181 CG LEU A 79 7.719 -2.878 10.766 1.00 0.00 C ATOM 1182 CD1 LEU A 79 8.813 -1.919 11.172 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.228 -4.305 10.700 1.00 0.00 C ATOM 0 H LEU A 79 5.043 -2.763 9.701 1.00 0.00 H new ATOM 0 HA LEU A 79 5.821 -4.789 11.605 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.121 -1.771 11.644 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.905 -2.893 12.738 1.00 0.00 H new ATOM 0 HG LEU A 79 7.387 -2.598 9.766 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.650 -2.007 10.479 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.429 -0.899 11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.150 -2.158 12.181 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.073 -4.358 10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.546 -4.624 11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.431 -4.959 10.346 1.00 0.00 H new ATOM 1195 N THR A 80 3.156 -3.229 12.014 1.00 0.00 N ATOM 1196 CA THR A 80 2.011 -3.104 12.886 1.00 0.00 C ATOM 1197 C THR A 80 1.679 -4.487 13.470 1.00 0.00 C ATOM 1198 O THR A 80 1.527 -5.444 12.711 1.00 0.00 O ATOM 1199 CB THR A 80 0.792 -2.592 12.109 1.00 0.00 C ATOM 1200 OG1 THR A 80 1.089 -1.311 11.528 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.436 -2.488 13.019 1.00 0.00 C ATOM 0 H THR A 80 2.973 -3.028 11.031 1.00 0.00 H new ATOM 0 HA THR A 80 2.248 -2.395 13.680 1.00 0.00 H new ATOM 0 HB THR A 80 0.564 -3.304 11.316 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.024 -1.294 11.233 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.286 -2.123 12.443 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.670 -3.471 13.428 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.227 -1.796 13.835 1.00 0.00 H new ATOM 1209 N PRO A 81 1.608 -4.627 14.802 1.00 0.00 N ATOM 1210 CA PRO A 81 1.283 -5.893 15.425 1.00 0.00 C ATOM 1211 C PRO A 81 -0.162 -6.275 15.191 1.00 0.00 C ATOM 1212 O PRO A 81 -1.110 -5.544 15.520 1.00 0.00 O ATOM 1213 CB PRO A 81 1.549 -5.674 16.891 1.00 0.00 C ATOM 1214 CG PRO A 81 1.372 -4.232 17.070 1.00 0.00 C ATOM 1215 CD PRO A 81 1.847 -3.581 15.803 1.00 0.00 C ATOM 0 HA PRO A 81 1.873 -6.710 15.011 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.856 -6.242 17.512 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.555 -5.990 17.166 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.326 -3.991 17.261 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.943 -3.875 17.927 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.290 -2.671 15.580 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.900 -3.305 15.858 1.00 0.00 H new ATOM 1223 N ARG A 82 -0.295 -7.374 14.593 1.00 0.00 N ATOM 1224 CA ARG A 82 -1.563 -7.948 14.203 1.00 0.00 C ATOM 1225 C ARG A 82 -1.452 -9.452 14.063 1.00 0.00 C ATOM 1226 O ARG A 82 -0.351 -9.985 13.962 1.00 0.00 O ATOM 1227 CB ARG A 82 -2.100 -7.313 12.910 1.00 0.00 C ATOM 1228 CG ARG A 82 -1.048 -7.031 11.848 1.00 0.00 C ATOM 1229 CD ARG A 82 -1.685 -6.648 10.528 1.00 0.00 C ATOM 1230 NE ARG A 82 -2.728 -5.620 10.692 1.00 0.00 N ATOM 1231 CZ ARG A 82 -2.657 -4.331 10.337 1.00 0.00 C ATOM 1232 NH1 ARG A 82 -1.521 -3.807 9.847 1.00 0.00 N ATOM 1233 NH2 ARG A 82 -3.726 -3.562 10.493 1.00 0.00 N ATOM 0 H ARG A 82 0.502 -7.955 14.333 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.280 -7.730 14.994 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.856 -7.974 12.485 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.600 -6.378 13.162 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.394 -6.227 12.185 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.423 -7.913 11.710 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.916 -6.279 9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.120 -7.534 10.065 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.601 -5.924 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.693 -4.394 9.740 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.486 -2.823 9.582 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.585 -3.955 10.878 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.689 -2.578 10.228 1.00 0.00 H new ATOM 1247 N SER A 83 -2.575 -10.123 14.059 1.00 0.00 N ATOM 1248 CA SER A 83 -2.605 -11.553 13.899 1.00 0.00 C ATOM 1249 C SER A 83 -2.553 -11.900 12.410 1.00 0.00 C ATOM 1250 O SER A 83 -1.896 -12.874 12.001 1.00 0.00 O ATOM 1251 CB SER A 83 -3.858 -12.106 14.562 1.00 0.00 C ATOM 1252 OG SER A 83 -3.922 -11.671 15.919 1.00 0.00 O ATOM 0 H SER A 83 -3.494 -9.693 14.167 1.00 0.00 H new ATOM 0 HA SER A 83 -1.739 -12.008 14.380 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.744 -11.771 14.022 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.852 -13.195 14.520 1.00 0.00 H new ATOM 0 HG SER A 83 -4.732 -12.029 16.339 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.222 -11.085 11.608 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.192 -11.234 10.172 1.00 0.00 C ATOM 1260 C GLU A 84 -1.865 -10.725 9.670 1.00 0.00 C ATOM 1261 O GLU A 84 -1.269 -9.844 10.287 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.297 -10.434 9.504 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.686 -10.846 9.872 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.073 -12.142 9.261 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -5.864 -13.190 9.875 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -6.632 -12.127 8.147 1.00 0.00 O ATOM 0 H GLU A 84 -3.796 -10.309 11.938 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.336 -12.287 9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.167 -9.382 9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.183 -10.518 8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.764 -10.921 10.957 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.387 -10.074 9.554 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.375 -11.254 8.571 1.00 0.00 N ATOM 1274 CA PRO A 85 -0.105 -10.841 8.041 1.00 0.00 C ATOM 1275 C PRO A 85 -0.126 -9.430 7.414 1.00 0.00 C ATOM 1276 O PRO A 85 0.678 -8.574 7.793 1.00 0.00 O ATOM 1277 CB PRO A 85 0.247 -11.913 7.013 1.00 0.00 C ATOM 1278 CG PRO A 85 -1.035 -12.586 6.667 1.00 0.00 C ATOM 1279 CD PRO A 85 -1.997 -12.337 7.794 1.00 0.00 C ATOM 0 HA PRO A 85 0.639 -10.756 8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.706 -11.470 6.129 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.964 -12.625 7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.433 -12.194 5.731 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.880 -13.656 6.525 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.979 -12.046 7.422 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.139 -13.231 8.401 1.00 0.00 H new ATOM 1287 N HIS A 86 -1.088 -9.183 6.482 1.00 0.00 N ATOM 1288 CA HIS A 86 -1.154 -7.915 5.707 1.00 0.00 C ATOM 1289 C HIS A 86 0.162 -7.670 5.010 1.00 0.00 C ATOM 1290 O HIS A 86 0.568 -6.537 4.804 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.511 -6.706 6.598 1.00 0.00 C ATOM 1292 CG HIS A 86 -2.935 -6.666 7.043 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.755 -5.612 6.722 1.00 0.00 N ATOM 1294 CD2 HIS A 86 -3.621 -7.554 7.796 1.00 0.00 C ATOM 1295 CE1 HIS A 86 -4.920 -5.891 7.297 1.00 0.00 C ATOM 1296 NE2 HIS A 86 -4.877 -7.054 7.954 1.00 0.00 N ATOM 0 H HIS A 86 -1.827 -9.846 6.251 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.949 -8.023 4.969 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.868 -6.717 7.478 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.288 -5.789 6.052 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.244 -8.484 8.196 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.793 -5.257 7.240 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.641 -7.485 8.475 1.00 0.00 H new ATOM 1304 N CYS A 87 0.750 -8.741 4.546 1.00 0.00 N ATOM 1305 CA CYS A 87 2.104 -8.706 4.046 1.00 0.00 C ATOM 1306 C CYS A 87 2.178 -8.568 2.567 1.00 0.00 C ATOM 1307 O CYS A 87 3.250 -8.712 1.982 1.00 0.00 O ATOM 1308 CB CYS A 87 2.802 -9.981 4.424 1.00 0.00 C ATOM 1309 SG CYS A 87 1.867 -11.473 4.006 1.00 0.00 S ATOM 0 H CYS A 87 0.309 -9.660 4.503 1.00 0.00 H new ATOM 0 HA CYS A 87 2.579 -7.831 4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.770 -10.017 3.924 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.998 -9.974 5.496 1.00 0.00 H new ATOM 0 HG CYS A 87 0.815 -11.147 3.316 1.00 0.00 H new ATOM 1315 N LEU A 88 1.068 -8.336 1.971 1.00 0.00 N ATOM 1316 CA LEU A 88 0.980 -8.244 0.557 1.00 0.00 C ATOM 1317 C LEU A 88 0.607 -6.919 0.167 1.00 0.00 C ATOM 1318 O LEU A 88 -0.406 -6.397 0.601 1.00 0.00 O ATOM 1319 CB LEU A 88 0.100 -9.316 -0.040 1.00 0.00 C ATOM 1320 CG LEU A 88 0.814 -10.608 -0.136 1.00 0.00 C ATOM 1321 CD1 LEU A 88 -0.065 -11.752 -0.515 1.00 0.00 C ATOM 1322 CD2 LEU A 88 1.991 -10.539 -1.069 1.00 0.00 C ATOM 0 H LEU A 88 0.181 -8.202 2.456 1.00 0.00 H new ATOM 0 HA LEU A 88 1.969 -8.436 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.794 -9.437 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.231 -9.007 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 88 1.175 -10.798 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.528 -12.665 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.850 -11.870 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.516 -11.558 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.483 -11.511 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.648 -10.267 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.696 -9.789 -0.710 1.00 0.00 H new ATOM 1334 N VAL A 89 1.470 -6.335 -0.584 1.00 0.00 N ATOM 1335 CA VAL A 89 1.261 -5.042 -1.098 1.00 0.00 C ATOM 1336 C VAL A 89 1.646 -5.040 -2.561 1.00 0.00 C ATOM 1337 O VAL A 89 2.566 -5.747 -2.969 1.00 0.00 O ATOM 1338 CB VAL A 89 2.083 -3.959 -0.344 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.687 -3.840 1.115 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.558 -4.221 -0.462 1.00 0.00 C ATOM 0 H VAL A 89 2.357 -6.756 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 89 0.208 -4.792 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 89 1.853 -3.007 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.291 -3.070 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.633 -3.570 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 89 1.851 -4.794 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.109 -3.448 0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.790 -5.196 -0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.847 -4.209 -1.513 1.00 0.00 H new ATOM 1350 N LEU A 90 0.907 -4.354 -3.343 1.00 0.00 N ATOM 1351 CA LEU A 90 1.232 -4.204 -4.723 1.00 0.00 C ATOM 1352 C LEU A 90 1.670 -2.780 -4.931 1.00 0.00 C ATOM 1353 O LEU A 90 1.205 -1.879 -4.240 1.00 0.00 O ATOM 1354 CB LEU A 90 0.015 -4.587 -5.613 1.00 0.00 C ATOM 1355 CG LEU A 90 -1.087 -3.553 -5.765 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.793 -2.629 -6.915 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.449 -4.179 -5.929 1.00 0.00 C ATOM 0 H LEU A 90 0.055 -3.875 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 90 2.041 -4.874 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.388 -4.832 -6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.428 -5.496 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.108 -2.977 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.594 -1.896 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.151 -2.114 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.722 -3.206 -7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.199 -3.395 -6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.455 -4.808 -6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.678 -4.786 -5.053 1.00 0.00 H new ATOM 1369 N SER A 91 2.539 -2.571 -5.836 1.00 0.00 N ATOM 1370 CA SER A 91 3.049 -1.267 -6.085 1.00 0.00 C ATOM 1371 C SER A 91 2.153 -0.556 -7.094 1.00 0.00 C ATOM 1372 O SER A 91 1.859 -1.107 -8.155 1.00 0.00 O ATOM 1373 CB SER A 91 4.465 -1.393 -6.664 1.00 0.00 C ATOM 1374 OG SER A 91 4.417 -1.796 -8.009 1.00 0.00 O ATOM 0 H SER A 91 2.927 -3.299 -6.436 1.00 0.00 H new ATOM 0 HA SER A 91 3.074 -0.695 -5.158 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.983 -0.437 -6.584 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.038 -2.115 -6.083 1.00 0.00 H new ATOM 0 HG SER A 91 3.489 -1.985 -8.261 1.00 0.00 H new ATOM 1380 N LEU A 92 1.772 0.641 -6.802 1.00 0.00 N ATOM 1381 CA LEU A 92 0.987 1.461 -7.717 1.00 0.00 C ATOM 1382 C LEU A 92 1.903 2.179 -8.701 1.00 0.00 C ATOM 1383 O LEU A 92 1.500 3.125 -9.367 1.00 0.00 O ATOM 1384 CB LEU A 92 0.170 2.476 -6.922 1.00 0.00 C ATOM 1385 CG LEU A 92 -1.040 1.924 -6.188 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.574 2.939 -5.223 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -2.116 1.608 -7.182 1.00 0.00 C ATOM 0 H LEU A 92 1.989 1.100 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 92 0.310 0.818 -8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.827 2.952 -6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.168 3.256 -7.604 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.740 1.028 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.441 2.528 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.802 3.191 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.868 3.838 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.987 1.211 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.395 2.516 -7.717 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.749 0.867 -7.892 1.00 0.00 H new ATOM 1399 N ASP A 93 3.118 1.687 -8.803 1.00 0.00 N ATOM 1400 CA ASP A 93 4.144 2.284 -9.628 1.00 0.00 C ATOM 1401 C ASP A 93 4.541 1.340 -10.733 1.00 0.00 C ATOM 1402 O ASP A 93 4.335 1.619 -11.906 1.00 0.00 O ATOM 1403 CB ASP A 93 5.389 2.630 -8.789 1.00 0.00 C ATOM 1404 CG ASP A 93 5.135 3.692 -7.748 1.00 0.00 C ATOM 1405 OD1 ASP A 93 4.515 3.382 -6.701 1.00 0.00 O ATOM 1406 OD2 ASP A 93 5.528 4.866 -7.963 1.00 0.00 O ATOM 0 H ASP A 93 3.425 0.849 -8.308 1.00 0.00 H new ATOM 0 HA ASP A 93 3.737 3.200 -10.057 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.748 1.727 -8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.184 2.967 -9.454 1.00 0.00 H new ATOM 1411 N ASN A 94 5.075 0.192 -10.358 1.00 0.00 N ATOM 1412 CA ASN A 94 5.580 -0.766 -11.348 1.00 0.00 C ATOM 1413 C ASN A 94 4.623 -1.948 -11.453 1.00 0.00 C ATOM 1414 O ASN A 94 4.797 -2.850 -12.269 1.00 0.00 O ATOM 1415 CB ASN A 94 7.016 -1.219 -10.961 1.00 0.00 C ATOM 1416 CG ASN A 94 7.721 -2.061 -12.021 1.00 0.00 C ATOM 1417 OD1 ASN A 94 7.663 -3.283 -12.018 1.00 0.00 O ATOM 1418 ND2 ASN A 94 8.395 -1.418 -12.917 1.00 0.00 N ATOM 0 H ASN A 94 5.174 -0.106 -9.387 1.00 0.00 H new ATOM 0 HA ASN A 94 5.635 -0.292 -12.328 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.620 -0.335 -10.757 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.966 -1.791 -10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.895 -1.930 -13.644 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.427 -0.399 -12.897 1.00 0.00 H new ATOM 1425 N TRP A 95 3.576 -1.892 -10.636 1.00 0.00 N ATOM 1426 CA TRP A 95 2.550 -2.930 -10.545 1.00 0.00 C ATOM 1427 C TRP A 95 3.134 -4.286 -10.142 1.00 0.00 C ATOM 1428 O TRP A 95 2.690 -5.342 -10.612 1.00 0.00 O ATOM 1429 CB TRP A 95 1.699 -3.007 -11.829 1.00 0.00 C ATOM 1430 CG TRP A 95 0.894 -1.757 -12.058 1.00 0.00 C ATOM 1431 CD1 TRP A 95 1.156 -0.753 -12.947 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.293 -1.365 -11.354 1.00 0.00 C ATOM 1433 NE1 TRP A 95 0.199 0.220 -12.844 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -0.696 -0.126 -11.875 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -1.055 -1.945 -10.341 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -1.826 0.549 -11.417 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -2.178 -1.276 -9.887 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -2.552 -0.042 -10.423 1.00 0.00 C ATOM 0 H TRP A 95 3.412 -1.108 -10.005 1.00 0.00 H new ATOM 0 HA TRP A 95 1.873 -2.642 -9.741 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.352 -3.178 -12.685 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.027 -3.863 -11.766 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.993 -0.731 -13.629 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.161 1.071 -13.405 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.774 -2.898 -9.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.116 1.503 -11.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.776 -1.717 -9.103 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.433 0.455 -10.044 1.00 0.00 H new ATOM 1449 N SER A 96 4.104 -4.260 -9.233 1.00 0.00 N ATOM 1450 CA SER A 96 4.668 -5.476 -8.737 1.00 0.00 C ATOM 1451 C SER A 96 4.055 -5.764 -7.426 1.00 0.00 C ATOM 1452 O SER A 96 3.289 -4.957 -6.906 1.00 0.00 O ATOM 1453 CB SER A 96 6.144 -5.358 -8.537 1.00 0.00 C ATOM 1454 OG SER A 96 6.771 -4.891 -9.716 1.00 0.00 O ATOM 0 H SER A 96 4.502 -3.408 -8.837 1.00 0.00 H new ATOM 0 HA SER A 96 4.477 -6.266 -9.463 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.351 -4.675 -7.713 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.557 -6.327 -8.259 1.00 0.00 H new ATOM 0 HG SER A 96 7.737 -4.818 -9.566 1.00 0.00 H new ATOM 1460 N VAL A 97 4.385 -6.875 -6.885 1.00 0.00 N ATOM 1461 CA VAL A 97 3.851 -7.277 -5.648 1.00 0.00 C ATOM 1462 C VAL A 97 4.998 -7.525 -4.693 1.00 0.00 C ATOM 1463 O VAL A 97 6.053 -7.985 -5.110 1.00 0.00 O ATOM 1464 CB VAL A 97 3.077 -8.570 -5.828 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.291 -8.872 -4.655 1.00 0.00 C ATOM 1466 CG2 VAL A 97 2.192 -8.512 -6.997 1.00 0.00 C ATOM 0 H VAL A 97 5.042 -7.537 -7.297 1.00 0.00 H new ATOM 0 HA VAL A 97 3.187 -6.505 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 97 3.814 -9.358 -5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.747 -9.803 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.950 -8.977 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.582 -8.064 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.654 -9.455 -7.094 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.477 -7.698 -6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.786 -8.339 -7.895 1.00 0.00 H new ATOM 1476 N TRP A 98 4.803 -7.232 -3.454 1.00 0.00 N ATOM 1477 CA TRP A 98 5.801 -7.483 -2.473 1.00 0.00 C ATOM 1478 C TRP A 98 5.165 -8.270 -1.365 1.00 0.00 C ATOM 1479 O TRP A 98 4.021 -7.952 -0.944 1.00 0.00 O ATOM 1480 CB TRP A 98 6.408 -6.200 -1.902 1.00 0.00 C ATOM 1481 CG TRP A 98 7.664 -6.495 -1.160 1.00 0.00 C ATOM 1482 CD1 TRP A 98 7.808 -6.740 0.177 1.00 0.00 C ATOM 1483 CD2 TRP A 98 8.952 -6.628 -1.736 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.115 -7.041 0.455 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.834 -6.968 -0.706 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.447 -6.495 -3.037 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.171 -7.180 -0.927 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.784 -6.702 -3.261 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.639 -7.046 -2.211 1.00 0.00 C ATOM 0 H TRP A 98 3.947 -6.812 -3.092 1.00 0.00 H new ATOM 0 HA TRP A 98 6.616 -8.032 -2.945 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.614 -5.499 -2.710 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.692 -5.718 -1.237 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.011 -6.702 0.905 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.489 -7.279 1.373 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.788 -6.234 -3.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 11.835 -7.444 -0.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 11.180 -6.598 -4.260 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.687 -7.210 -2.413 1.00 0.00 H new ATOM 1500 N CYS A 99 5.866 -9.300 -0.897 1.00 0.00 N ATOM 1501 CA CYS A 99 5.392 -10.068 0.220 1.00 0.00 C ATOM 1502 C CYS A 99 6.409 -9.945 1.268 1.00 0.00 C ATOM 1503 O CYS A 99 7.517 -10.393 1.087 1.00 0.00 O ATOM 1504 CB CYS A 99 5.152 -11.553 -0.112 1.00 0.00 C ATOM 1505 SG CYS A 99 4.691 -12.578 1.321 1.00 0.00 S ATOM 0 H CYS A 99 6.759 -9.610 -1.281 1.00 0.00 H new ATOM 0 HA CYS A 99 4.421 -9.682 0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.364 -11.623 -0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.056 -11.963 -0.561 1.00 0.00 H new ATOM 0 HG CYS A 99 5.271 -13.738 1.229 1.00 0.00 H new ATOM 1510 N TYR A 100 6.045 -9.366 2.355 1.00 0.00 N ATOM 1511 CA TYR A 100 6.997 -9.086 3.419 1.00 0.00 C ATOM 1512 C TYR A 100 7.428 -10.329 4.158 1.00 0.00 C ATOM 1513 O TYR A 100 8.520 -10.396 4.690 1.00 0.00 O ATOM 1514 CB TYR A 100 6.407 -8.140 4.414 1.00 0.00 C ATOM 1515 CG TYR A 100 6.083 -6.778 3.902 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.075 -5.826 3.724 1.00 0.00 C ATOM 1517 CD2 TYR A 100 4.784 -6.436 3.631 1.00 0.00 C ATOM 1518 CE1 TYR A 100 6.768 -4.562 3.279 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.459 -5.173 3.191 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.457 -4.238 3.014 1.00 0.00 C ATOM 1521 OH TYR A 100 5.144 -2.977 2.590 1.00 0.00 O ATOM 0 H TYR A 100 5.090 -9.067 2.551 1.00 0.00 H new ATOM 0 HA TYR A 100 7.870 -8.648 2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.495 -8.584 4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.103 -8.038 5.247 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.103 -6.081 3.938 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.003 -7.169 3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.549 -3.829 3.139 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.430 -4.916 2.986 1.00 0.00 H new ATOM 0 HH TYR A 100 5.480 -2.846 1.679 1.00 0.00 H new ATOM 1531 N VAL A 101 6.568 -11.306 4.188 1.00 0.00 N ATOM 1532 CA VAL A 101 6.846 -12.525 4.921 1.00 0.00 C ATOM 1533 C VAL A 101 7.642 -13.518 4.031 1.00 0.00 C ATOM 1534 O VAL A 101 8.190 -14.496 4.498 1.00 0.00 O ATOM 1535 CB VAL A 101 5.533 -13.131 5.472 1.00 0.00 C ATOM 1536 CG1 VAL A 101 4.645 -13.535 4.361 1.00 0.00 C ATOM 1537 CG2 VAL A 101 5.773 -14.278 6.429 1.00 0.00 C ATOM 0 H VAL A 101 5.664 -11.290 3.715 1.00 0.00 H new ATOM 0 HA VAL A 101 7.475 -12.299 5.782 1.00 0.00 H new ATOM 0 HB VAL A 101 5.038 -12.351 6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.726 -13.959 4.766 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.405 -12.664 3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.148 -14.280 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.817 -14.663 6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.316 -15.072 5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.359 -13.927 7.278 1.00 0.00 H new ATOM 1547 N CYS A 102 7.669 -13.249 2.729 1.00 0.00 N ATOM 1548 CA CYS A 102 8.551 -13.981 1.843 1.00 0.00 C ATOM 1549 C CYS A 102 9.811 -13.163 1.729 1.00 0.00 C ATOM 1550 O CYS A 102 10.916 -13.673 1.554 1.00 0.00 O ATOM 1551 CB CYS A 102 7.950 -14.128 0.452 1.00 0.00 C ATOM 1552 SG CYS A 102 6.795 -15.473 0.207 1.00 0.00 S ATOM 0 H CYS A 102 7.096 -12.538 2.274 1.00 0.00 H new ATOM 0 HA CYS A 102 8.727 -14.981 2.240 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.444 -13.196 0.201 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.767 -14.248 -0.260 1.00 0.00 H new ATOM 0 HG CYS A 102 5.671 -15.003 -0.245 1.00 0.00 H new ATOM 1557 N ASP A 103 9.573 -11.885 1.848 1.00 0.00 N ATOM 1558 CA ASP A 103 10.521 -10.806 1.729 1.00 0.00 C ATOM 1559 C ASP A 103 11.227 -10.823 0.406 1.00 0.00 C ATOM 1560 O ASP A 103 12.451 -10.994 0.305 1.00 0.00 O ATOM 1561 CB ASP A 103 11.459 -10.650 2.925 1.00 0.00 C ATOM 1562 CG ASP A 103 12.280 -9.378 2.841 1.00 0.00 C ATOM 1563 OD1 ASP A 103 11.695 -8.269 2.734 1.00 0.00 O ATOM 1564 OD2 ASP A 103 13.525 -9.457 2.883 1.00 0.00 O ATOM 0 H ASP A 103 8.633 -11.542 2.047 1.00 0.00 H new ATOM 0 HA ASP A 103 9.928 -9.892 1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.875 -10.644 3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.127 -11.510 2.976 1.00 0.00 H new ATOM 1569 N ASN A 104 10.423 -10.734 -0.625 1.00 0.00 N ATOM 1570 CA ASN A 104 10.862 -10.637 -1.945 1.00 0.00 C ATOM 1571 C ASN A 104 9.670 -10.101 -2.758 1.00 0.00 C ATOM 1572 O ASN A 104 8.555 -9.896 -2.193 1.00 0.00 O ATOM 1573 CB ASN A 104 11.267 -12.019 -2.464 1.00 0.00 C ATOM 1574 CG ASN A 104 10.078 -12.890 -2.657 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.709 -13.667 -1.811 1.00 0.00 O ATOM 1576 ND2 ASN A 104 9.480 -12.767 -3.765 1.00 0.00 N ATOM 0 H ASN A 104 9.407 -10.729 -0.535 1.00 0.00 H new ATOM 0 HA ASN A 104 11.729 -9.981 -2.028 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.801 -11.914 -3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.954 -12.488 -1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.657 -13.335 -3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.821 -12.099 -4.457 1.00 0.00 H new ATOM 1583 N GLU A 105 9.875 -9.959 -4.048 1.00 0.00 N ATOM 1584 CA GLU A 105 8.883 -9.494 -4.975 1.00 0.00 C ATOM 1585 C GLU A 105 8.096 -10.665 -5.577 1.00 0.00 C ATOM 1586 O GLU A 105 8.686 -11.613 -6.102 1.00 0.00 O ATOM 1587 CB GLU A 105 9.632 -8.807 -6.061 1.00 0.00 C ATOM 1588 CG GLU A 105 8.761 -8.063 -7.019 1.00 0.00 C ATOM 1589 CD GLU A 105 9.547 -7.152 -7.919 1.00 0.00 C ATOM 1590 OE1 GLU A 105 10.143 -7.637 -8.908 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.603 -5.940 -7.659 1.00 0.00 O ATOM 0 H GLU A 105 10.769 -10.173 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 105 8.169 -8.839 -4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.342 -8.111 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.213 -9.546 -6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.202 -8.775 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.030 -7.477 -6.462 1.00 0.00 H new ATOM 1598 N VAL A 106 6.804 -10.595 -5.539 1.00 0.00 N ATOM 1599 CA VAL A 106 5.976 -11.676 -6.011 1.00 0.00 C ATOM 1600 C VAL A 106 5.474 -11.322 -7.413 1.00 0.00 C ATOM 1601 O VAL A 106 5.415 -10.159 -7.772 1.00 0.00 O ATOM 1602 CB VAL A 106 4.775 -11.941 -5.047 1.00 0.00 C ATOM 1603 CG1 VAL A 106 4.069 -13.249 -5.378 1.00 0.00 C ATOM 1604 CG2 VAL A 106 5.236 -11.949 -3.601 1.00 0.00 C ATOM 0 H VAL A 106 6.287 -9.792 -5.182 1.00 0.00 H new ATOM 0 HA VAL A 106 6.565 -12.592 -6.043 1.00 0.00 H new ATOM 0 HB VAL A 106 4.062 -11.128 -5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.240 -13.400 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.688 -13.209 -6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.773 -14.076 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.383 -12.135 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.979 -12.734 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.677 -10.983 -3.355 1.00 0.00 H new ATOM 1614 N GLN A 107 5.150 -12.317 -8.191 1.00 0.00 N ATOM 1615 CA GLN A 107 4.694 -12.152 -9.512 1.00 0.00 C ATOM 1616 C GLN A 107 3.493 -13.041 -9.689 1.00 0.00 C ATOM 1617 O GLN A 107 3.333 -14.039 -8.973 1.00 0.00 O ATOM 1618 CB GLN A 107 5.782 -12.472 -10.576 1.00 0.00 C ATOM 1619 CG GLN A 107 6.387 -13.885 -10.507 1.00 0.00 C ATOM 1620 CD GLN A 107 7.708 -13.965 -9.739 1.00 0.00 C ATOM 1621 OE1 GLN A 107 8.542 -14.817 -10.015 1.00 0.00 O ATOM 1622 NE2 GLN A 107 7.936 -13.063 -8.830 1.00 0.00 N ATOM 0 H GLN A 107 5.204 -13.292 -7.897 1.00 0.00 H new ATOM 0 HA GLN A 107 4.436 -11.105 -9.669 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.349 -12.330 -11.566 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.589 -11.746 -10.474 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.666 -14.554 -10.038 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.547 -14.250 -11.522 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.226 -12.363 -8.617 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.825 -13.056 -8.330 1.00 0.00 H new ATOM 1631 N TYR A 108 2.685 -12.671 -10.584 1.00 0.00 N ATOM 1632 CA TYR A 108 1.432 -13.337 -10.883 1.00 0.00 C ATOM 1633 C TYR A 108 1.245 -13.511 -12.378 1.00 0.00 C ATOM 1634 O TYR A 108 1.656 -12.649 -13.143 1.00 0.00 O ATOM 1635 CB TYR A 108 0.269 -12.543 -10.292 1.00 0.00 C ATOM 1636 CG TYR A 108 0.325 -11.061 -10.576 1.00 0.00 C ATOM 1637 CD1 TYR A 108 -0.104 -10.545 -11.781 1.00 0.00 C ATOM 1638 CD2 TYR A 108 0.818 -10.189 -9.635 1.00 0.00 C ATOM 1639 CE1 TYR A 108 -0.037 -9.200 -12.043 1.00 0.00 C ATOM 1640 CE2 TYR A 108 0.894 -8.851 -9.874 1.00 0.00 C ATOM 1641 CZ TYR A 108 0.469 -8.348 -11.084 1.00 0.00 C ATOM 1642 OH TYR A 108 0.553 -6.995 -11.341 1.00 0.00 O ATOM 0 H TYR A 108 2.857 -11.859 -11.176 1.00 0.00 H new ATOM 0 HA TYR A 108 1.456 -14.329 -10.432 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.666 -12.942 -10.685 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.251 -12.695 -9.213 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.500 -11.212 -12.532 1.00 0.00 H new ATOM 0 HD2 TYR A 108 1.153 -10.574 -8.683 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.377 -8.812 -12.992 1.00 0.00 H new ATOM 0 HE2 TYR A 108 1.286 -8.187 -9.118 1.00 0.00 H new ATOM 0 HH TYR A 108 1.397 -6.646 -10.985 1.00 0.00 H new ATOM 1685 N ASN A 112 -3.860 -16.638 -11.672 1.00 0.00 N ATOM 1686 CA ASN A 112 -3.609 -16.785 -10.266 1.00 0.00 C ATOM 1687 C ASN A 112 -4.393 -15.705 -9.587 1.00 0.00 C ATOM 1688 O ASN A 112 -4.527 -14.618 -10.153 1.00 0.00 O ATOM 1689 CB ASN A 112 -2.126 -16.597 -9.957 1.00 0.00 C ATOM 1690 CG ASN A 112 -1.792 -16.848 -8.492 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -1.887 -15.949 -7.655 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -1.382 -18.049 -8.181 1.00 0.00 N ATOM 0 HA ASN A 112 -3.896 -17.780 -9.926 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.541 -17.274 -10.579 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.830 -15.583 -10.224 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.128 -18.268 -7.218 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.316 -18.768 -8.902 1.00 0.00 H new ATOM 1699 N GLN A 113 -4.900 -15.978 -8.403 1.00 0.00 N ATOM 1700 CA GLN A 113 -5.731 -15.042 -7.647 1.00 0.00 C ATOM 1701 C GLN A 113 -5.046 -13.687 -7.479 1.00 0.00 C ATOM 1702 O GLN A 113 -5.702 -12.643 -7.512 1.00 0.00 O ATOM 1703 CB GLN A 113 -6.041 -15.607 -6.275 1.00 0.00 C ATOM 1704 CG GLN A 113 -6.975 -14.741 -5.476 1.00 0.00 C ATOM 1705 CD GLN A 113 -7.086 -15.148 -4.036 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -7.909 -15.978 -3.675 1.00 0.00 O ATOM 1707 NE2 GLN A 113 -6.274 -14.548 -3.202 1.00 0.00 N ATOM 0 H GLN A 113 -4.749 -16.866 -7.925 1.00 0.00 H new ATOM 0 HA GLN A 113 -6.652 -14.899 -8.212 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.481 -16.598 -6.388 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.110 -15.733 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.633 -13.707 -5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -7.965 -14.772 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -5.603 -13.862 -3.548 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.312 -14.767 -2.206 1.00 0.00 H new ATOM 1716 N LEU A 114 -3.732 -13.704 -7.336 1.00 0.00 N ATOM 1717 CA LEU A 114 -2.962 -12.502 -7.156 1.00 0.00 C ATOM 1718 C LEU A 114 -3.070 -11.630 -8.397 1.00 0.00 C ATOM 1719 O LEU A 114 -3.329 -10.434 -8.298 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.509 -12.886 -6.874 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.531 -11.752 -6.649 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -0.958 -10.904 -5.473 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.863 -12.297 -6.449 1.00 0.00 C ATOM 0 H LEU A 114 -3.175 -14.558 -7.343 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.346 -11.930 -6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.493 -13.528 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.148 -13.484 -7.711 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.525 -11.115 -7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.242 -10.095 -5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.945 -10.484 -5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.995 -11.520 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.557 -11.472 -6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.875 -12.956 -5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.165 -12.858 -7.334 1.00 0.00 H new ATOM 1735 N GLY A 115 -2.973 -12.258 -9.549 1.00 0.00 N ATOM 1736 CA GLY A 115 -3.089 -11.545 -10.786 1.00 0.00 C ATOM 1737 C GLY A 115 -4.485 -11.062 -10.999 1.00 0.00 C ATOM 1738 O GLY A 115 -4.680 -9.939 -11.409 1.00 0.00 O ATOM 0 H GLY A 115 -2.814 -13.261 -9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.404 -10.697 -10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.795 -12.193 -11.612 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.468 -11.912 -10.684 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.891 -11.576 -10.812 1.00 0.00 C ATOM 1744 C GLN A 116 -7.215 -10.344 -10.017 1.00 0.00 C ATOM 1745 O GLN A 116 -7.893 -9.421 -10.501 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.755 -12.708 -10.258 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.433 -14.059 -10.814 1.00 0.00 C ATOM 1748 CD GLN A 116 -8.376 -15.142 -10.332 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -8.942 -15.061 -9.228 1.00 0.00 O ATOM 1750 NE2 GLN A 116 -8.535 -16.167 -11.124 1.00 0.00 N ATOM 0 H GLN A 116 -5.299 -12.854 -10.332 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.095 -11.415 -11.871 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.642 -12.738 -9.174 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.802 -12.484 -10.463 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.467 -14.014 -11.903 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.413 -14.325 -10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -8.053 -16.197 -12.023 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.141 -16.938 -10.844 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.700 -10.299 -8.818 1.00 0.00 N ATOM 1760 CA VAL A 117 -7.016 -9.212 -7.961 1.00 0.00 C ATOM 1761 C VAL A 117 -6.301 -7.970 -8.372 1.00 0.00 C ATOM 1762 O VAL A 117 -6.922 -6.954 -8.502 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.875 -9.524 -6.463 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.770 -8.260 -5.635 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -8.088 -10.293 -6.032 1.00 0.00 C ATOM 0 H VAL A 117 -6.069 -10.997 -8.425 1.00 0.00 H new ATOM 0 HA VAL A 117 -8.083 -9.030 -8.089 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.963 -10.100 -6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.672 -8.522 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.896 -7.690 -5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.667 -7.657 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.012 -10.527 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.981 -9.693 -6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.154 -11.219 -6.604 1.00 0.00 H new ATOM 1775 N VAL A 118 -5.011 -8.059 -8.621 1.00 0.00 N ATOM 1776 CA VAL A 118 -4.251 -6.897 -9.113 1.00 0.00 C ATOM 1777 C VAL A 118 -4.864 -6.351 -10.386 1.00 0.00 C ATOM 1778 O VAL A 118 -4.959 -5.150 -10.560 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.757 -7.212 -9.365 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -2.048 -6.003 -9.973 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -2.062 -7.597 -8.085 1.00 0.00 C ATOM 0 H VAL A 118 -4.459 -8.908 -8.497 1.00 0.00 H new ATOM 0 HA VAL A 118 -4.304 -6.150 -8.321 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.712 -8.050 -10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.999 -6.244 -10.143 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.519 -5.744 -10.921 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -2.120 -5.157 -9.289 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.014 -7.813 -8.291 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -2.130 -6.775 -7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.539 -8.482 -7.664 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.363 -7.237 -11.218 1.00 0.00 N ATOM 1792 CA ASP A 119 -6.009 -6.856 -12.479 1.00 0.00 C ATOM 1793 C ASP A 119 -7.256 -6.058 -12.150 1.00 0.00 C ATOM 1794 O ASP A 119 -7.477 -4.962 -12.670 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.385 -8.115 -13.280 1.00 0.00 C ATOM 1796 CG ASP A 119 -7.161 -7.825 -14.541 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -6.559 -7.380 -15.538 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -8.392 -8.067 -14.567 1.00 0.00 O ATOM 0 H ASP A 119 -5.339 -8.243 -11.051 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.328 -6.256 -13.083 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.474 -8.654 -13.541 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.975 -8.776 -12.645 1.00 0.00 H new ATOM 1803 N TYR A 120 -8.000 -6.572 -11.186 1.00 0.00 N ATOM 1804 CA TYR A 120 -9.212 -5.926 -10.711 1.00 0.00 C ATOM 1805 C TYR A 120 -8.860 -4.571 -10.116 1.00 0.00 C ATOM 1806 O TYR A 120 -9.341 -3.535 -10.547 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.944 -6.847 -9.693 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.707 -6.161 -8.574 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.857 -5.431 -8.800 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -10.242 -6.249 -7.275 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.505 -4.815 -7.765 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -10.886 -5.629 -6.247 1.00 0.00 C ATOM 1813 CZ TYR A 120 -12.019 -4.911 -6.500 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.661 -4.256 -5.477 1.00 0.00 O ATOM 0 H TYR A 120 -7.782 -7.448 -10.711 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.899 -5.758 -11.541 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.643 -7.475 -10.245 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -9.205 -7.511 -9.243 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.248 -5.346 -9.803 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -9.349 -6.821 -7.071 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.406 -4.250 -7.954 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.503 -5.705 -5.240 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.553 -3.979 -5.775 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.915 -4.577 -9.255 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.543 -3.416 -8.508 1.00 0.00 C ATOM 1826 C VAL A 121 -6.972 -2.345 -9.434 1.00 0.00 C ATOM 1827 O VAL A 121 -7.147 -1.152 -9.215 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.513 -3.801 -7.414 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -5.992 -2.613 -6.697 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -7.112 -4.770 -6.428 1.00 0.00 C ATOM 0 H VAL A 121 -7.359 -5.404 -9.037 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.430 -3.007 -8.025 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.677 -4.280 -7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.274 -2.930 -5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.501 -1.946 -7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.817 -2.087 -6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.370 -5.024 -5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.977 -4.313 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.423 -5.675 -6.950 1.00 0.00 H new ATOM 1840 N ARG A 122 -6.355 -2.788 -10.480 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.810 -1.925 -11.457 1.00 0.00 C ATOM 1842 C ARG A 122 -6.919 -1.274 -12.243 1.00 0.00 C ATOM 1843 O ARG A 122 -6.862 -0.098 -12.514 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.857 -2.684 -12.339 1.00 0.00 C ATOM 1845 CG ARG A 122 -4.075 -1.820 -13.266 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.831 -2.541 -13.710 1.00 0.00 C ATOM 1847 NE ARG A 122 -3.118 -3.758 -14.471 1.00 0.00 N ATOM 1848 CZ ARG A 122 -2.185 -4.609 -14.908 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -0.899 -4.306 -14.769 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -2.539 -5.729 -15.527 1.00 0.00 N ATOM 0 H ARG A 122 -6.217 -3.779 -10.676 1.00 0.00 H new ATOM 0 HA ARG A 122 -5.243 -1.130 -10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -4.165 -3.246 -11.711 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.420 -3.412 -12.924 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.683 -1.557 -14.132 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.808 -0.887 -12.769 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -2.227 -1.870 -14.321 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.234 -2.798 -12.835 1.00 0.00 H new ATOM 0 HE ARG A 122 -4.093 -3.970 -14.681 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.627 -3.426 -14.330 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.184 -4.953 -15.101 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -3.526 -5.942 -15.670 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -1.824 -6.376 -15.859 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.969 -2.020 -12.525 1.00 0.00 N ATOM 1865 CA LYS A 123 -9.136 -1.484 -13.237 1.00 0.00 C ATOM 1866 C LYS A 123 -9.954 -0.585 -12.348 1.00 0.00 C ATOM 1867 O LYS A 123 -10.820 0.156 -12.792 1.00 0.00 O ATOM 1868 CB LYS A 123 -9.968 -2.638 -13.710 1.00 0.00 C ATOM 1869 CG LYS A 123 -9.170 -3.457 -14.634 1.00 0.00 C ATOM 1870 CD LYS A 123 -9.945 -4.591 -15.232 1.00 0.00 C ATOM 1871 CE LYS A 123 -9.067 -5.363 -16.199 1.00 0.00 C ATOM 1872 NZ LYS A 123 -9.676 -6.633 -16.623 1.00 0.00 N ATOM 0 H LYS A 123 -8.048 -3.006 -12.275 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.798 -0.885 -14.083 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -10.295 -3.239 -12.861 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.866 -2.275 -14.209 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.788 -2.823 -15.435 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -8.305 -3.855 -14.103 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -10.303 -5.254 -14.444 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -10.824 -4.209 -15.751 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -8.870 -4.747 -17.077 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -8.104 -5.565 -15.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -9.397 -6.842 -17.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -9.351 -7.399 -15.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -10.712 -6.557 -16.567 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.700 -0.722 -11.089 1.00 0.00 N ATOM 1887 CA GLN A 124 -10.293 0.115 -10.068 1.00 0.00 C ATOM 1888 C GLN A 124 -9.564 1.436 -9.974 1.00 0.00 C ATOM 1889 O GLN A 124 -10.173 2.507 -9.961 1.00 0.00 O ATOM 1890 CB GLN A 124 -10.188 -0.601 -8.756 1.00 0.00 C ATOM 1891 CG GLN A 124 -11.408 -1.363 -8.305 1.00 0.00 C ATOM 1892 CD GLN A 124 -12.278 -2.015 -9.347 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -13.487 -2.078 -9.204 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.695 -2.606 -10.288 1.00 0.00 N ATOM 0 H GLN A 124 -9.064 -1.429 -10.721 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.335 0.313 -10.320 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -9.352 -1.299 -8.814 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.939 0.131 -7.987 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -11.077 -2.141 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -12.034 -0.677 -7.734 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.682 -2.536 -10.384 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.234 -3.156 -10.957 1.00 0.00 H new ATOM 1903 N ALA A 125 -8.258 1.333 -9.876 1.00 0.00 N ATOM 1904 CA ALA A 125 -7.380 2.464 -9.764 1.00 0.00 C ATOM 1905 C ALA A 125 -7.370 3.285 -11.034 1.00 0.00 C ATOM 1906 O ALA A 125 -7.392 4.521 -10.977 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.983 1.985 -9.405 1.00 0.00 C ATOM 0 H ALA A 125 -7.770 0.437 -9.872 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.746 3.116 -8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.315 2.842 -9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -6.014 1.453 -8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.617 1.316 -10.183 1.00 0.00 H new ATOM 1913 N SER A 126 -7.328 2.616 -12.161 1.00 0.00 N ATOM 1914 CA SER A 126 -7.371 3.290 -13.447 1.00 0.00 C ATOM 1915 C SER A 126 -8.749 3.932 -13.686 1.00 0.00 C ATOM 1916 O SER A 126 -9.683 3.228 -14.088 1.00 0.00 O ATOM 1917 CB SER A 126 -7.018 2.314 -14.570 1.00 0.00 C ATOM 1918 OG SER A 126 -5.699 1.777 -14.385 1.00 0.00 O ATOM 1919 OXT SER A 126 -8.893 5.163 -13.469 1.00 0.00 O ATOM 0 H SER A 126 -7.264 1.600 -12.219 1.00 0.00 H new ATOM 0 HA SER A 126 -6.630 4.089 -13.442 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.745 1.503 -14.594 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.076 2.823 -15.532 1.00 0.00 H new ATOM 0 HG SER A 126 -5.736 1.031 -13.750 1.00 0.00 H new