USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 737 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 85 SER OG : rot -173:sc= -1.12 USER MOD Set 1.2: A 102 HIS : no HD1:sc=-0.00122 X(o=-1.1,f=-1.1) USER MOD Set 2.1: A 23 ASN : amide:sc= -4.67! C(o=-4.6!,f=-7.6!) USER MOD Set 2.2: A 50 SER OG : rot 79:sc= 0.0492 USER MOD Single : A 5 ASN : amide:sc= -1.32 K(o=-1.3,f=-2) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.82) USER MOD Single : A 16 THR OG1 : rot 69:sc= 0.904 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -2.86 K(o=-2.9,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -18:sc= -1.7! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0771 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.00443 USER MOD Single : A 31 GLN : amide:sc= -0.0585 X(o=-0.059,f=0) USER MOD Single : A 41 ASN : amide:sc= -2.71! C(o=-2.7!,f=-1.3!) USER MOD Single : A 49 LYS NZ :NH3+ 143:sc= -0.307 (180deg=-1.36!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 21:sc= 0.432 USER MOD Single : A 77 ASN : amide:sc= -5.01! C(o=-5!,f=-5.8!) USER MOD Single : A 78 TYR OH : rot 117:sc= -2.62! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 80 SER OG : rot 180:sc= -0.099 USER MOD Single : A 84 ASN : amide:sc= -2.51 K(o=-2.5,f=-1.1) USER MOD Single : A 90 TYR OH : rot 46:sc= -1.97! USER MOD Single : A 91 SER OG : rot -70:sc= -0.409 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -1.24! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 68:sc= -0.0973 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot -29:sc= -1.45 USER MOD Single : A 104 GLN : amide:sc= -0.738 X(o=-0.74,f=-0.75) USER MOD Single : A 105 THR OG1 : rot 132:sc= 0.814 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 4.157 11.036 0.960 1.00 0.00 N ATOM 47 CA ILE A 4 2.792 10.520 1.262 1.00 0.00 C ATOM 48 C ILE A 4 2.872 9.026 1.579 1.00 0.00 C ATOM 49 O ILE A 4 2.834 8.191 0.698 1.00 0.00 O ATOM 50 CB ILE A 4 1.887 10.735 0.048 1.00 0.00 C ATOM 51 CG1 ILE A 4 2.147 12.124 -0.541 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.422 10.632 0.478 1.00 0.00 C ATOM 53 CD1 ILE A 4 1.774 13.194 0.486 1.00 0.00 C ATOM 0 HA ILE A 4 2.383 11.053 2.120 1.00 0.00 H new ATOM 0 HB ILE A 4 2.100 9.974 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.197 12.222 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.563 12.260 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.223 10.785 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.235 9.644 0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.209 11.393 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.960 14.182 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.719 13.101 0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.378 13.063 1.384 1.00 0.00 H new ATOM 65 N ASN A 5 2.985 8.682 2.833 1.00 0.00 N ATOM 66 CA ASN A 5 3.069 7.242 3.206 1.00 0.00 C ATOM 67 C ASN A 5 2.274 7.001 4.491 1.00 0.00 C ATOM 68 O ASN A 5 2.781 6.456 5.452 1.00 0.00 O ATOM 69 CB ASN A 5 4.532 6.858 3.431 1.00 0.00 C ATOM 70 CG ASN A 5 5.045 7.528 4.707 1.00 0.00 C ATOM 71 OD1 ASN A 5 5.083 8.739 4.798 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.446 6.786 5.702 1.00 0.00 N ATOM 0 H ASN A 5 3.023 9.336 3.615 1.00 0.00 H new ATOM 0 HA ASN A 5 2.654 6.634 2.403 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.626 5.775 3.513 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.136 7.167 2.577 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.792 7.222 6.557 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.414 5.769 5.625 1.00 0.00 H new ATOM 79 N THR A 6 1.032 7.401 4.516 1.00 0.00 N ATOM 80 CA THR A 6 0.208 7.194 5.740 1.00 0.00 C ATOM 81 C THR A 6 -1.183 6.699 5.339 1.00 0.00 C ATOM 82 O THR A 6 -1.440 6.406 4.189 1.00 0.00 O ATOM 83 CB THR A 6 0.078 8.517 6.498 1.00 0.00 C ATOM 84 OG1 THR A 6 0.446 9.590 5.642 1.00 0.00 O ATOM 85 CG2 THR A 6 0.994 8.500 7.723 1.00 0.00 C ATOM 0 H THR A 6 0.553 7.862 3.742 1.00 0.00 H new ATOM 0 HA THR A 6 0.688 6.454 6.380 1.00 0.00 H new ATOM 0 HB THR A 6 -0.954 8.649 6.823 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.362 10.438 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.900 9.443 8.261 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.709 7.678 8.379 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.027 8.367 7.403 1.00 0.00 H new ATOM 93 N PHE A 7 -2.082 6.604 6.279 1.00 0.00 N ATOM 94 CA PHE A 7 -3.455 6.128 5.950 1.00 0.00 C ATOM 95 C PHE A 7 -4.264 7.279 5.352 1.00 0.00 C ATOM 96 O PHE A 7 -4.703 7.219 4.220 1.00 0.00 O ATOM 97 CB PHE A 7 -4.140 5.629 7.224 1.00 0.00 C ATOM 98 CG PHE A 7 -3.558 4.294 7.619 1.00 0.00 C ATOM 99 CD1 PHE A 7 -3.726 3.183 6.784 1.00 0.00 C ATOM 100 CD2 PHE A 7 -2.849 4.168 8.819 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.184 1.945 7.150 1.00 0.00 C ATOM 102 CE2 PHE A 7 -2.307 2.931 9.184 1.00 0.00 C ATOM 103 CZ PHE A 7 -2.474 1.819 8.349 1.00 0.00 C ATOM 0 H PHE A 7 -1.926 6.835 7.260 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.395 5.314 5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.003 6.350 8.030 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.213 5.535 7.060 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.273 3.281 5.858 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.720 5.025 9.463 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.314 1.087 6.507 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.760 2.833 10.110 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.055 0.864 8.631 1.00 0.00 H new ATOM 113 N ASP A 8 -4.469 8.326 6.102 1.00 0.00 N ATOM 114 CA ASP A 8 -5.252 9.480 5.574 1.00 0.00 C ATOM 115 C ASP A 8 -4.438 10.211 4.503 1.00 0.00 C ATOM 116 O ASP A 8 -4.981 10.777 3.575 1.00 0.00 O ATOM 117 CB ASP A 8 -5.568 10.446 6.718 1.00 0.00 C ATOM 118 CG ASP A 8 -7.069 10.413 7.013 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.516 9.441 7.598 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.745 11.362 6.650 1.00 0.00 O ATOM 0 H ASP A 8 -4.129 8.433 7.058 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.180 9.114 5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.005 10.168 7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.261 11.457 6.450 1.00 0.00 H new ATOM 125 N GLY A 9 -3.138 10.206 4.623 1.00 0.00 N ATOM 126 CA GLY A 9 -2.293 10.904 3.613 1.00 0.00 C ATOM 127 C GLY A 9 -2.396 10.181 2.270 1.00 0.00 C ATOM 128 O GLY A 9 -2.645 10.787 1.246 1.00 0.00 O ATOM 0 H GLY A 9 -2.625 9.749 5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.617 11.939 3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.255 10.928 3.946 1.00 0.00 H new ATOM 132 N VAL A 10 -2.208 8.890 2.265 1.00 0.00 N ATOM 133 CA VAL A 10 -2.298 8.133 0.987 1.00 0.00 C ATOM 134 C VAL A 10 -3.733 8.188 0.468 1.00 0.00 C ATOM 135 O VAL A 10 -3.970 8.442 -0.695 1.00 0.00 O ATOM 136 CB VAL A 10 -1.889 6.678 1.222 1.00 0.00 C ATOM 137 CG1 VAL A 10 -2.074 5.879 -0.068 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.420 6.624 1.648 1.00 0.00 C ATOM 0 H VAL A 10 -1.996 8.328 3.090 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.628 8.578 0.251 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.512 6.249 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.782 4.842 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.120 5.916 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.452 6.308 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.128 5.587 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.202 7.054 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.287 7.192 2.569 1.00 0.00 H new ATOM 148 N ALA A 11 -4.694 7.964 1.320 1.00 0.00 N ATOM 149 CA ALA A 11 -6.110 8.022 0.866 1.00 0.00 C ATOM 150 C ALA A 11 -6.364 9.399 0.255 1.00 0.00 C ATOM 151 O ALA A 11 -7.088 9.541 -0.710 1.00 0.00 O ATOM 152 CB ALA A 11 -7.042 7.808 2.060 1.00 0.00 C ATOM 0 H ALA A 11 -4.561 7.744 2.307 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.300 7.243 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.078 7.851 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.845 6.833 2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.868 8.588 2.802 1.00 0.00 H new ATOM 158 N ASP A 12 -5.756 10.413 0.809 1.00 0.00 N ATOM 159 CA ASP A 12 -5.942 11.785 0.265 1.00 0.00 C ATOM 160 C ASP A 12 -5.366 11.844 -1.149 1.00 0.00 C ATOM 161 O ASP A 12 -6.044 12.199 -2.094 1.00 0.00 O ATOM 162 CB ASP A 12 -5.203 12.787 1.154 1.00 0.00 C ATOM 163 CG ASP A 12 -6.212 13.558 2.006 1.00 0.00 C ATOM 164 OD1 ASP A 12 -6.823 12.946 2.865 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.358 14.749 1.783 1.00 0.00 O ATOM 0 H ASP A 12 -5.137 10.348 1.617 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.004 12.031 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.494 12.265 1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.627 13.479 0.539 1.00 0.00 H new ATOM 170 N TYR A 13 -4.118 11.495 -1.304 1.00 0.00 N ATOM 171 CA TYR A 13 -3.502 11.528 -2.659 1.00 0.00 C ATOM 172 C TYR A 13 -4.294 10.614 -3.593 1.00 0.00 C ATOM 173 O TYR A 13 -4.276 10.774 -4.799 1.00 0.00 O ATOM 174 CB TYR A 13 -2.054 11.043 -2.576 1.00 0.00 C ATOM 175 CG TYR A 13 -1.303 11.487 -3.808 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.323 10.696 -4.964 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.590 12.692 -3.798 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.628 11.108 -6.108 1.00 0.00 C ATOM 179 CE2 TYR A 13 0.105 13.105 -4.941 1.00 0.00 C ATOM 180 CZ TYR A 13 0.085 12.313 -6.096 1.00 0.00 C ATOM 181 OH TYR A 13 0.771 12.721 -7.222 1.00 0.00 O ATOM 0 H TYR A 13 -3.500 11.189 -0.552 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.518 12.548 -3.043 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.576 11.443 -1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.027 9.957 -2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.875 9.768 -4.973 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.576 13.303 -2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.642 10.497 -6.998 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.656 14.034 -4.932 1.00 0.00 H new ATOM 0 HH TYR A 13 1.211 13.579 -7.044 1.00 0.00 H new ATOM 191 N LEU A 14 -4.995 9.659 -3.045 1.00 0.00 N ATOM 192 CA LEU A 14 -5.793 8.734 -3.893 1.00 0.00 C ATOM 193 C LEU A 14 -7.001 9.489 -4.451 1.00 0.00 C ATOM 194 O LEU A 14 -7.130 9.676 -5.640 1.00 0.00 O ATOM 195 CB LEU A 14 -6.269 7.550 -3.047 1.00 0.00 C ATOM 196 CG LEU A 14 -5.179 6.475 -3.005 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.278 5.704 -1.687 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.372 5.504 -4.170 1.00 0.00 C ATOM 0 H LEU A 14 -5.048 9.481 -2.042 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.181 8.363 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.503 7.884 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.186 7.136 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.200 6.949 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.503 4.938 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.144 6.392 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.258 5.232 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.596 4.740 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.351 5.031 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.307 6.049 -5.112 1.00 0.00 H new ATOM 210 N GLN A 15 -7.885 9.930 -3.600 1.00 0.00 N ATOM 211 CA GLN A 15 -9.075 10.683 -4.093 1.00 0.00 C ATOM 212 C GLN A 15 -8.633 12.063 -4.589 1.00 0.00 C ATOM 213 O GLN A 15 -9.420 12.825 -5.116 1.00 0.00 O ATOM 214 CB GLN A 15 -10.084 10.846 -2.954 1.00 0.00 C ATOM 215 CG GLN A 15 -10.566 9.467 -2.502 1.00 0.00 C ATOM 216 CD GLN A 15 -12.085 9.377 -2.668 1.00 0.00 C ATOM 217 OE1 GLN A 15 -12.780 8.946 -1.769 1.00 0.00 O ATOM 218 NE2 GLN A 15 -12.631 9.769 -3.785 1.00 0.00 N ATOM 0 H GLN A 15 -7.837 9.803 -2.589 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.541 10.135 -4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.624 11.375 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.930 11.448 -3.286 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.079 8.689 -3.090 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.293 9.298 -1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.047 10.131 -4.539 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.642 9.714 -3.905 1.00 0.00 H new ATOM 227 N THR A 16 -7.380 12.395 -4.419 1.00 0.00 N ATOM 228 CA THR A 16 -6.891 13.729 -4.874 1.00 0.00 C ATOM 229 C THR A 16 -6.356 13.626 -6.298 1.00 0.00 C ATOM 230 O THR A 16 -6.936 14.137 -7.235 1.00 0.00 O ATOM 231 CB THR A 16 -5.773 14.206 -3.944 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.313 14.481 -2.660 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.138 15.475 -4.516 1.00 0.00 C ATOM 0 H THR A 16 -6.675 11.800 -3.985 1.00 0.00 H new ATOM 0 HA THR A 16 -7.716 14.441 -4.851 1.00 0.00 H new ATOM 0 HB THR A 16 -5.013 13.429 -3.860 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.591 13.643 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.342 15.814 -3.853 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.724 15.262 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.895 16.254 -4.602 1.00 0.00 H new ATOM 241 N TYR A 17 -5.251 12.970 -6.458 1.00 0.00 N ATOM 242 CA TYR A 17 -4.654 12.824 -7.816 1.00 0.00 C ATOM 243 C TYR A 17 -5.203 11.562 -8.485 1.00 0.00 C ATOM 244 O TYR A 17 -4.923 11.285 -9.634 1.00 0.00 O ATOM 245 CB TYR A 17 -3.133 12.711 -7.693 1.00 0.00 C ATOM 246 CG TYR A 17 -2.557 14.048 -7.292 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.282 15.013 -8.267 1.00 0.00 C ATOM 248 CD2 TYR A 17 -2.297 14.322 -5.943 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.746 16.252 -7.894 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.762 15.560 -5.571 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.486 16.526 -6.546 1.00 0.00 C ATOM 252 OH TYR A 17 -0.958 17.745 -6.179 1.00 0.00 O ATOM 0 H TYR A 17 -4.727 12.523 -5.705 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.909 13.695 -8.419 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.873 11.955 -6.952 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.704 12.389 -8.642 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.483 14.803 -9.307 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.510 13.577 -5.190 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.533 16.997 -8.647 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.562 15.771 -4.531 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.840 17.771 -5.206 1.00 0.00 H new ATOM 262 N HIS A 18 -5.983 10.796 -7.774 1.00 0.00 N ATOM 263 CA HIS A 18 -6.551 9.553 -8.366 1.00 0.00 C ATOM 264 C HIS A 18 -5.414 8.653 -8.848 1.00 0.00 C ATOM 265 O HIS A 18 -5.338 8.287 -10.004 1.00 0.00 O ATOM 266 CB HIS A 18 -7.472 9.920 -9.528 1.00 0.00 C ATOM 267 CG HIS A 18 -8.785 10.392 -8.968 1.00 0.00 C ATOM 268 ND1 HIS A 18 -9.939 10.463 -9.732 1.00 0.00 N ATOM 269 CD2 HIS A 18 -9.143 10.809 -7.709 1.00 0.00 C ATOM 270 CE1 HIS A 18 -10.927 10.906 -8.932 1.00 0.00 C ATOM 271 NE2 HIS A 18 -10.495 11.133 -7.689 1.00 0.00 N ATOM 0 H HIS A 18 -6.252 10.978 -6.807 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.129 9.015 -7.615 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.018 10.701 -10.138 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.625 9.057 -10.176 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.475 10.875 -6.863 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.946 11.059 -9.256 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.040 11.471 -6.896 1.00 0.00 H new ATOM 279 N LYS A 19 -4.533 8.293 -7.955 1.00 0.00 N ATOM 280 CA LYS A 19 -3.389 7.413 -8.321 1.00 0.00 C ATOM 281 C LYS A 19 -2.321 7.517 -7.234 1.00 0.00 C ATOM 282 O LYS A 19 -1.919 8.599 -6.852 1.00 0.00 O ATOM 283 CB LYS A 19 -2.794 7.853 -9.660 1.00 0.00 C ATOM 284 CG LYS A 19 -2.650 9.376 -9.681 1.00 0.00 C ATOM 285 CD LYS A 19 -1.395 9.760 -10.466 1.00 0.00 C ATOM 286 CE LYS A 19 -1.789 10.213 -11.873 1.00 0.00 C ATOM 287 NZ LYS A 19 -1.082 11.483 -12.203 1.00 0.00 N ATOM 0 H LYS A 19 -4.559 8.575 -6.975 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.737 6.384 -8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.822 7.383 -9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.435 7.527 -10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.530 9.829 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.586 9.760 -8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.862 10.560 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.715 8.910 -10.524 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.533 9.442 -12.600 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.868 10.359 -11.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.350 11.791 -13.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.348 12.217 -11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.054 11.328 -12.164 1.00 0.00 H new ATOM 301 N LEU A 20 -1.860 6.408 -6.728 1.00 0.00 N ATOM 302 CA LEU A 20 -0.821 6.457 -5.662 1.00 0.00 C ATOM 303 C LEU A 20 0.243 7.491 -6.040 1.00 0.00 C ATOM 304 O LEU A 20 0.521 7.692 -7.206 1.00 0.00 O ATOM 305 CB LEU A 20 -0.159 5.083 -5.526 1.00 0.00 C ATOM 306 CG LEU A 20 -1.104 4.123 -4.801 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.361 2.825 -4.480 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.586 4.768 -3.500 1.00 0.00 C ATOM 0 H LEU A 20 -2.156 5.472 -7.005 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.286 6.733 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.089 4.689 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.777 5.173 -4.974 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.961 3.905 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.033 2.140 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.015 2.365 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.495 3.044 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.259 4.085 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.729 4.985 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.113 5.695 -3.727 1.00 0.00 H new ATOM 320 N PRO A 21 0.813 8.114 -5.041 1.00 0.00 N ATOM 321 CA PRO A 21 1.857 9.132 -5.245 1.00 0.00 C ATOM 322 C PRO A 21 3.005 8.560 -6.073 1.00 0.00 C ATOM 323 O PRO A 21 3.137 7.361 -6.226 1.00 0.00 O ATOM 324 CB PRO A 21 2.344 9.480 -3.834 1.00 0.00 C ATOM 325 CG PRO A 21 1.403 8.772 -2.826 1.00 0.00 C ATOM 326 CD PRO A 21 0.465 7.856 -3.631 1.00 0.00 C ATOM 0 HA PRO A 21 1.482 10.004 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.374 9.152 -3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.329 10.559 -3.679 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.980 8.192 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.829 9.504 -2.258 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.615 6.808 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.582 8.087 -3.432 1.00 0.00 H new ATOM 334 N ASP A 22 3.846 9.406 -6.597 1.00 0.00 N ATOM 335 CA ASP A 22 4.992 8.905 -7.400 1.00 0.00 C ATOM 336 C ASP A 22 5.995 8.230 -6.463 1.00 0.00 C ATOM 337 O ASP A 22 6.969 7.646 -6.896 1.00 0.00 O ATOM 338 CB ASP A 22 5.667 10.076 -8.119 1.00 0.00 C ATOM 339 CG ASP A 22 5.818 9.743 -9.605 1.00 0.00 C ATOM 340 OD1 ASP A 22 6.147 8.607 -9.906 1.00 0.00 O ATOM 341 OD2 ASP A 22 5.602 10.628 -10.416 1.00 0.00 O ATOM 0 H ASP A 22 3.789 10.420 -6.504 1.00 0.00 H new ATOM 0 HA ASP A 22 4.639 8.188 -8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.074 10.982 -7.997 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.644 10.273 -7.678 1.00 0.00 H new ATOM 346 N ASN A 23 5.763 8.304 -5.179 1.00 0.00 N ATOM 347 CA ASN A 23 6.702 7.664 -4.217 1.00 0.00 C ATOM 348 C ASN A 23 6.231 6.240 -3.913 1.00 0.00 C ATOM 349 O ASN A 23 6.739 5.585 -3.023 1.00 0.00 O ATOM 350 CB ASN A 23 6.737 8.476 -2.920 1.00 0.00 C ATOM 351 CG ASN A 23 5.321 8.599 -2.356 1.00 0.00 C ATOM 352 OD1 ASN A 23 4.678 7.607 -2.075 1.00 0.00 O ATOM 353 ND2 ASN A 23 4.806 9.784 -2.175 1.00 0.00 N ATOM 0 H ASN A 23 4.965 8.779 -4.757 1.00 0.00 H new ATOM 0 HA ASN A 23 7.700 7.631 -4.653 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.389 7.992 -2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.152 9.466 -3.110 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.863 9.878 -1.797 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.346 10.616 -2.411 1.00 0.00 H new ATOM 360 N TYR A 24 5.265 5.751 -4.643 1.00 0.00 N ATOM 361 CA TYR A 24 4.770 4.368 -4.387 1.00 0.00 C ATOM 362 C TYR A 24 5.220 3.441 -5.516 1.00 0.00 C ATOM 363 O TYR A 24 4.619 3.393 -6.571 1.00 0.00 O ATOM 364 CB TYR A 24 3.243 4.365 -4.317 1.00 0.00 C ATOM 365 CG TYR A 24 2.807 4.463 -2.875 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.776 3.315 -2.074 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.436 5.701 -2.340 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.374 3.407 -0.736 1.00 0.00 C ATOM 369 CE2 TYR A 24 2.034 5.793 -1.002 1.00 0.00 C ATOM 370 CZ TYR A 24 2.003 4.646 -0.200 1.00 0.00 C ATOM 371 OH TYR A 24 1.606 4.737 1.119 1.00 0.00 O ATOM 0 H TYR A 24 4.799 6.247 -5.403 1.00 0.00 H new ATOM 0 HA TYR A 24 5.179 4.018 -3.439 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.840 5.202 -4.888 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.849 3.453 -4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.062 2.359 -2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.460 6.586 -2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.350 2.522 -0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.748 6.749 -0.589 1.00 0.00 H new ATOM 0 HH TYR A 24 1.363 3.847 1.450 1.00 0.00 H new ATOM 381 N ILE A 25 6.262 2.691 -5.296 1.00 0.00 N ATOM 382 CA ILE A 25 6.740 1.755 -6.348 1.00 0.00 C ATOM 383 C ILE A 25 6.377 0.328 -5.937 1.00 0.00 C ATOM 384 O ILE A 25 6.720 -0.122 -4.863 1.00 0.00 O ATOM 385 CB ILE A 25 8.257 1.881 -6.500 1.00 0.00 C ATOM 386 CG1 ILE A 25 8.923 1.739 -5.129 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.598 3.250 -7.091 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.192 0.897 -5.264 1.00 0.00 C ATOM 0 H ILE A 25 6.804 2.686 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 25 6.270 1.996 -7.301 1.00 0.00 H new ATOM 0 HB ILE A 25 8.621 1.096 -7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.167 2.723 -4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.235 1.270 -4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.679 3.340 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.125 3.353 -8.068 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.233 4.034 -6.427 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.667 0.795 -4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.934 -0.091 -5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.881 1.385 -5.954 1.00 0.00 H new ATOM 400 N THR A 26 5.673 -0.383 -6.774 1.00 0.00 N ATOM 401 CA THR A 26 5.279 -1.775 -6.420 1.00 0.00 C ATOM 402 C THR A 26 6.489 -2.533 -5.873 1.00 0.00 C ATOM 403 O THR A 26 7.593 -2.025 -5.847 1.00 0.00 O ATOM 404 CB THR A 26 4.752 -2.491 -7.663 1.00 0.00 C ATOM 405 OG1 THR A 26 5.837 -2.796 -8.527 1.00 0.00 O ATOM 406 CG2 THR A 26 3.754 -1.587 -8.389 1.00 0.00 C ATOM 0 H THR A 26 5.354 -0.060 -7.687 1.00 0.00 H new ATOM 0 HA THR A 26 4.499 -1.742 -5.659 1.00 0.00 H new ATOM 0 HB THR A 26 4.253 -3.414 -7.368 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.501 -3.257 -9.324 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.378 -2.098 -9.276 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.922 -1.355 -7.724 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.249 -0.663 -8.686 1.00 0.00 H new ATOM 414 N LYS A 27 6.296 -3.750 -5.440 1.00 0.00 N ATOM 415 CA LYS A 27 7.450 -4.527 -4.899 1.00 0.00 C ATOM 416 C LYS A 27 8.389 -4.890 -6.046 1.00 0.00 C ATOM 417 O LYS A 27 9.590 -4.751 -5.941 1.00 0.00 O ATOM 418 CB LYS A 27 6.984 -5.816 -4.201 1.00 0.00 C ATOM 419 CG LYS A 27 5.479 -5.779 -3.923 1.00 0.00 C ATOM 420 CD LYS A 27 5.163 -6.643 -2.700 1.00 0.00 C ATOM 421 CE LYS A 27 3.684 -7.036 -2.717 1.00 0.00 C ATOM 422 NZ LYS A 27 3.484 -8.252 -1.881 1.00 0.00 N ATOM 0 H LYS A 27 5.399 -4.236 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 27 7.964 -3.908 -4.163 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.220 -6.677 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.527 -5.943 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.156 -4.753 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.929 -6.144 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.787 -7.537 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.394 -6.096 -1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.074 -6.216 -2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.359 -7.227 -3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.479 -8.520 -1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.055 -9.033 -2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.779 -8.054 -0.904 1.00 0.00 H new ATOM 436 N SER A 28 7.855 -5.342 -7.147 1.00 0.00 N ATOM 437 CA SER A 28 8.731 -5.697 -8.296 1.00 0.00 C ATOM 438 C SER A 28 9.600 -4.486 -8.626 1.00 0.00 C ATOM 439 O SER A 28 10.778 -4.603 -8.916 1.00 0.00 O ATOM 440 CB SER A 28 7.871 -6.058 -9.508 1.00 0.00 C ATOM 441 OG SER A 28 6.875 -6.992 -9.113 1.00 0.00 O ATOM 0 H SER A 28 6.856 -5.480 -7.299 1.00 0.00 H new ATOM 0 HA SER A 28 9.357 -6.553 -8.042 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.404 -5.162 -9.918 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.492 -6.483 -10.296 1.00 0.00 H new ATOM 0 HG SER A 28 6.320 -7.225 -9.886 1.00 0.00 H new ATOM 447 N GLU A 29 9.028 -3.317 -8.565 1.00 0.00 N ATOM 448 CA GLU A 29 9.813 -2.090 -8.857 1.00 0.00 C ATOM 449 C GLU A 29 10.988 -2.019 -7.886 1.00 0.00 C ATOM 450 O GLU A 29 12.088 -1.660 -8.258 1.00 0.00 O ATOM 451 CB GLU A 29 8.924 -0.858 -8.682 1.00 0.00 C ATOM 452 CG GLU A 29 8.293 -0.488 -10.026 1.00 0.00 C ATOM 453 CD GLU A 29 9.064 0.678 -10.648 1.00 0.00 C ATOM 454 OE1 GLU A 29 9.205 1.691 -9.984 1.00 0.00 O ATOM 455 OE2 GLU A 29 9.502 0.536 -11.779 1.00 0.00 O ATOM 0 H GLU A 29 8.049 -3.160 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 29 10.181 -2.118 -9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.146 -1.060 -7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.513 -0.023 -8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.309 -1.347 -10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.248 -0.213 -9.886 1.00 0.00 H new ATOM 462 N ALA A 30 10.773 -2.372 -6.646 1.00 0.00 N ATOM 463 CA ALA A 30 11.892 -2.334 -5.664 1.00 0.00 C ATOM 464 C ALA A 30 12.915 -3.399 -6.048 1.00 0.00 C ATOM 465 O ALA A 30 14.106 -3.217 -5.893 1.00 0.00 O ATOM 466 CB ALA A 30 11.357 -2.614 -4.258 1.00 0.00 C ATOM 0 H ALA A 30 9.876 -2.683 -6.274 1.00 0.00 H new ATOM 0 HA ALA A 30 12.360 -1.349 -5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.179 -2.585 -3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.619 -1.857 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.891 -3.599 -4.235 1.00 0.00 H new ATOM 472 N GLN A 31 12.460 -4.505 -6.568 1.00 0.00 N ATOM 473 CA GLN A 31 13.407 -5.572 -6.982 1.00 0.00 C ATOM 474 C GLN A 31 14.241 -5.043 -8.146 1.00 0.00 C ATOM 475 O GLN A 31 15.386 -5.411 -8.325 1.00 0.00 O ATOM 476 CB GLN A 31 12.626 -6.809 -7.428 1.00 0.00 C ATOM 477 CG GLN A 31 12.002 -7.486 -6.206 1.00 0.00 C ATOM 478 CD GLN A 31 11.695 -8.948 -6.536 1.00 0.00 C ATOM 479 OE1 GLN A 31 10.551 -9.357 -6.527 1.00 0.00 O ATOM 480 NE2 GLN A 31 12.675 -9.757 -6.829 1.00 0.00 N ATOM 0 H GLN A 31 11.474 -4.714 -6.723 1.00 0.00 H new ATOM 0 HA GLN A 31 14.054 -5.847 -6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.848 -6.525 -8.137 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.289 -7.504 -7.944 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.684 -7.429 -5.357 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.088 -6.967 -5.916 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.635 -9.413 -6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.481 -10.734 -7.051 1.00 0.00 H new ATOM 489 N ALA A 32 13.670 -4.177 -8.939 1.00 0.00 N ATOM 490 CA ALA A 32 14.418 -3.614 -10.088 1.00 0.00 C ATOM 491 C ALA A 32 15.641 -2.856 -9.580 1.00 0.00 C ATOM 492 O ALA A 32 16.700 -2.881 -10.175 1.00 0.00 O ATOM 493 CB ALA A 32 13.514 -2.662 -10.874 1.00 0.00 C ATOM 0 H ALA A 32 12.714 -3.837 -8.836 1.00 0.00 H new ATOM 0 HA ALA A 32 14.741 -4.425 -10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.067 -2.250 -11.718 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.644 -3.206 -11.241 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.187 -1.851 -10.224 1.00 0.00 H new ATOM 499 N LEU A 33 15.492 -2.179 -8.486 1.00 0.00 N ATOM 500 CA LEU A 33 16.629 -1.404 -7.916 1.00 0.00 C ATOM 501 C LEU A 33 17.556 -2.331 -7.131 1.00 0.00 C ATOM 502 O LEU A 33 18.626 -1.944 -6.704 1.00 0.00 O ATOM 503 CB LEU A 33 16.075 -0.326 -6.996 1.00 0.00 C ATOM 504 CG LEU A 33 15.130 0.552 -7.806 1.00 0.00 C ATOM 505 CD1 LEU A 33 13.685 0.187 -7.473 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.393 2.016 -7.468 1.00 0.00 C ATOM 0 H LEU A 33 14.624 -2.125 -7.953 1.00 0.00 H new ATOM 0 HA LEU A 33 17.200 -0.945 -8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.548 -0.778 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.886 0.272 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 33 15.298 0.394 -8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.008 0.815 -8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.508 -0.860 -7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.506 0.345 -6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.719 2.649 -8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.223 2.180 -6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.425 2.266 -7.713 1.00 0.00 H new ATOM 518 N GLY A 34 17.153 -3.554 -6.938 1.00 0.00 N ATOM 519 CA GLY A 34 18.006 -4.512 -6.180 1.00 0.00 C ATOM 520 C GLY A 34 17.452 -4.677 -4.765 1.00 0.00 C ATOM 521 O GLY A 34 18.109 -4.365 -3.790 1.00 0.00 O ATOM 0 H GLY A 34 16.268 -3.934 -7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.029 -5.476 -6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.033 -4.149 -6.140 1.00 0.00 H new ATOM 525 N TRP A 35 16.247 -5.162 -4.641 1.00 0.00 N ATOM 526 CA TRP A 35 15.653 -5.345 -3.288 1.00 0.00 C ATOM 527 C TRP A 35 15.349 -6.827 -3.057 1.00 0.00 C ATOM 528 O TRP A 35 14.795 -7.499 -3.904 1.00 0.00 O ATOM 529 CB TRP A 35 14.362 -4.511 -3.181 1.00 0.00 C ATOM 530 CG TRP A 35 13.370 -5.175 -2.268 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.539 -5.377 -0.940 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.066 -5.728 -2.602 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.416 -6.017 -0.441 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.480 -6.254 -1.428 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.346 -5.821 -3.800 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.218 -6.851 -1.448 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.076 -6.420 -3.825 1.00 0.00 C ATOM 538 CH2 TRP A 35 9.514 -6.933 -2.649 1.00 0.00 C ATOM 0 H TRP A 35 15.648 -5.439 -5.419 1.00 0.00 H new ATOM 0 HA TRP A 35 16.358 -5.009 -2.527 1.00 0.00 H new ATOM 0 HB2 TRP A 35 14.598 -3.515 -2.806 1.00 0.00 H new ATOM 0 HB3 TRP A 35 13.923 -4.384 -4.171 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.406 -5.087 -0.365 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.295 -6.281 0.537 1.00 0.00 H new ATOM 0 HE3 TRP A 35 11.771 -5.429 -4.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 9.790 -7.247 -0.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 9.530 -6.485 -4.755 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.536 -7.392 -2.672 1.00 0.00 H new ATOM 549 N VAL A 36 15.683 -7.329 -1.903 1.00 0.00 N ATOM 550 CA VAL A 36 15.388 -8.753 -1.600 1.00 0.00 C ATOM 551 C VAL A 36 13.999 -8.817 -0.970 1.00 0.00 C ATOM 552 O VAL A 36 13.682 -8.059 -0.074 1.00 0.00 O ATOM 553 CB VAL A 36 16.427 -9.297 -0.618 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.384 -10.826 -0.626 1.00 0.00 C ATOM 555 CG2 VAL A 36 17.820 -8.823 -1.039 1.00 0.00 C ATOM 0 H VAL A 36 16.148 -6.813 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 36 15.422 -9.353 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 36 16.206 -8.933 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.124 -11.214 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.391 -11.164 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.606 -11.191 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.562 -9.209 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.041 -9.188 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 36 17.850 -7.733 -1.035 1.00 0.00 H new ATOM 565 N ALA A 37 13.157 -9.695 -1.434 1.00 0.00 N ATOM 566 CA ALA A 37 11.786 -9.768 -0.858 1.00 0.00 C ATOM 567 C ALA A 37 11.851 -10.159 0.621 1.00 0.00 C ATOM 568 O ALA A 37 10.858 -10.124 1.318 1.00 0.00 O ATOM 569 CB ALA A 37 10.952 -10.789 -1.625 1.00 0.00 C ATOM 0 H ALA A 37 13.355 -10.361 -2.181 1.00 0.00 H new ATOM 0 HA ALA A 37 11.319 -8.787 -0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.951 -10.836 -1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.886 -10.492 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.423 -11.770 -1.555 1.00 0.00 H new ATOM 615 N ASN A 41 16.045 -5.148 3.880 1.00 0.00 N ATOM 616 CA ASN A 41 16.903 -4.011 3.440 1.00 0.00 C ATOM 617 C ASN A 41 16.207 -3.233 2.316 1.00 0.00 C ATOM 618 O ASN A 41 16.848 -2.614 1.490 1.00 0.00 O ATOM 619 CB ASN A 41 18.260 -4.548 2.957 1.00 0.00 C ATOM 620 CG ASN A 41 18.185 -4.972 1.485 1.00 0.00 C ATOM 621 OD1 ASN A 41 19.172 -4.922 0.778 1.00 0.00 O ATOM 622 ND2 ASN A 41 17.052 -5.390 0.989 1.00 0.00 N ATOM 0 HA ASN A 41 17.067 -3.335 4.280 1.00 0.00 H new ATOM 0 HB2 ASN A 41 19.025 -3.781 3.081 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.559 -5.398 3.570 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.997 -5.673 0.011 1.00 0.00 H new ATOM 0 HD22 ASN A 41 16.222 -5.433 1.580 1.00 0.00 H new ATOM 629 N LEU A 42 14.903 -3.255 2.281 1.00 0.00 N ATOM 630 CA LEU A 42 14.175 -2.509 1.215 1.00 0.00 C ATOM 631 C LEU A 42 14.654 -1.064 1.202 1.00 0.00 C ATOM 632 O LEU A 42 15.270 -0.603 0.264 1.00 0.00 O ATOM 633 CB LEU A 42 12.676 -2.519 1.515 1.00 0.00 C ATOM 634 CG LEU A 42 11.913 -1.823 0.381 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.453 -2.284 -0.974 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.427 -2.176 0.477 1.00 0.00 C ATOM 0 H LEU A 42 14.311 -3.756 2.943 1.00 0.00 H new ATOM 0 HA LEU A 42 14.365 -2.981 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.325 -3.545 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.482 -2.012 2.460 1.00 0.00 H new ATOM 0 HG LEU A 42 12.045 -0.745 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 42 11.905 -1.785 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.511 -2.034 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.328 -3.363 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.883 -1.682 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.303 -3.255 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.035 -1.842 1.438 1.00 0.00 H new ATOM 648 N ALA A 43 14.363 -0.349 2.248 1.00 0.00 N ATOM 649 CA ALA A 43 14.781 1.080 2.334 1.00 0.00 C ATOM 650 C ALA A 43 16.295 1.207 2.121 1.00 0.00 C ATOM 651 O ALA A 43 16.806 2.286 1.893 1.00 0.00 O ATOM 652 CB ALA A 43 14.415 1.630 3.714 1.00 0.00 C ATOM 0 H ALA A 43 13.848 -0.695 3.058 1.00 0.00 H new ATOM 0 HA ALA A 43 14.267 1.647 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.719 2.675 3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.338 1.555 3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 43 14.928 1.053 4.483 1.00 0.00 H new ATOM 658 N ASP A 44 17.022 0.122 2.196 1.00 0.00 N ATOM 659 CA ASP A 44 18.499 0.203 2.002 1.00 0.00 C ATOM 660 C ASP A 44 18.814 0.297 0.507 1.00 0.00 C ATOM 661 O ASP A 44 19.729 0.985 0.100 1.00 0.00 O ATOM 662 CB ASP A 44 19.159 -1.051 2.580 1.00 0.00 C ATOM 663 CG ASP A 44 20.680 -0.911 2.497 1.00 0.00 C ATOM 664 OD1 ASP A 44 21.158 0.208 2.589 1.00 0.00 O ATOM 665 OD2 ASP A 44 21.341 -1.924 2.343 1.00 0.00 O ATOM 0 H ASP A 44 16.658 -0.812 2.382 1.00 0.00 H new ATOM 0 HA ASP A 44 18.883 1.086 2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.852 -1.192 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 44 18.834 -1.933 2.029 1.00 0.00 H new ATOM 670 N VAL A 45 18.065 -0.385 -0.314 1.00 0.00 N ATOM 671 CA VAL A 45 18.323 -0.328 -1.782 1.00 0.00 C ATOM 672 C VAL A 45 17.252 0.533 -2.456 1.00 0.00 C ATOM 673 O VAL A 45 17.275 0.748 -3.652 1.00 0.00 O ATOM 674 CB VAL A 45 18.277 -1.744 -2.360 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.296 -2.624 -1.635 1.00 0.00 C ATOM 676 CG2 VAL A 45 16.875 -2.325 -2.169 1.00 0.00 C ATOM 0 H VAL A 45 17.285 -0.980 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 45 19.305 0.108 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 45 18.517 -1.711 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 45 19.264 -3.633 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.295 -2.210 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.057 -2.658 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.840 -3.334 -2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.637 -2.358 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.148 -1.698 -2.685 1.00 0.00 H new ATOM 686 N ALA A 46 16.312 1.030 -1.698 1.00 0.00 N ATOM 687 CA ALA A 46 15.239 1.877 -2.290 1.00 0.00 C ATOM 688 C ALA A 46 14.753 2.884 -1.243 1.00 0.00 C ATOM 689 O ALA A 46 13.605 2.856 -0.847 1.00 0.00 O ATOM 690 CB ALA A 46 14.071 0.990 -2.728 1.00 0.00 C ATOM 0 H ALA A 46 16.242 0.885 -0.691 1.00 0.00 H new ATOM 0 HA ALA A 46 15.631 2.411 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.286 1.610 -3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.418 0.272 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.676 0.456 -1.864 1.00 0.00 H new ATOM 696 N PRO A 47 15.646 3.743 -0.822 1.00 0.00 N ATOM 697 CA PRO A 47 15.333 4.770 0.186 1.00 0.00 C ATOM 698 C PRO A 47 14.188 5.661 -0.302 1.00 0.00 C ATOM 699 O PRO A 47 13.982 5.831 -1.487 1.00 0.00 O ATOM 700 CB PRO A 47 16.627 5.581 0.338 1.00 0.00 C ATOM 701 CG PRO A 47 17.695 4.941 -0.586 1.00 0.00 C ATOM 702 CD PRO A 47 17.034 3.761 -1.317 1.00 0.00 C ATOM 0 HA PRO A 47 15.011 4.337 1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.460 6.623 0.065 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.964 5.573 1.375 1.00 0.00 H new ATOM 0 HG2 PRO A 47 18.070 5.673 -1.302 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.550 4.599 -0.003 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.067 3.897 -2.398 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.545 2.823 -1.098 1.00 0.00 H new ATOM 710 N GLY A 48 13.442 6.229 0.604 1.00 0.00 N ATOM 711 CA GLY A 48 12.310 7.107 0.196 1.00 0.00 C ATOM 712 C GLY A 48 11.454 6.386 -0.847 1.00 0.00 C ATOM 713 O GLY A 48 11.387 6.785 -1.993 1.00 0.00 O ATOM 0 H GLY A 48 13.568 6.123 1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.704 7.364 1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.691 8.042 -0.214 1.00 0.00 H new ATOM 717 N LYS A 49 10.798 5.325 -0.460 1.00 0.00 N ATOM 718 CA LYS A 49 9.948 4.581 -1.432 1.00 0.00 C ATOM 719 C LYS A 49 8.804 3.887 -0.690 1.00 0.00 C ATOM 720 O LYS A 49 8.903 3.585 0.483 1.00 0.00 O ATOM 721 CB LYS A 49 10.799 3.532 -2.154 1.00 0.00 C ATOM 722 CG LYS A 49 11.765 4.230 -3.113 1.00 0.00 C ATOM 723 CD LYS A 49 10.970 4.944 -4.209 1.00 0.00 C ATOM 724 CE LYS A 49 11.924 5.417 -5.307 1.00 0.00 C ATOM 725 NZ LYS A 49 12.752 4.269 -5.774 1.00 0.00 N ATOM 0 H LYS A 49 10.814 4.942 0.485 1.00 0.00 H new ATOM 0 HA LYS A 49 9.535 5.280 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.355 2.938 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.157 2.844 -2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.379 4.947 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.443 3.501 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.222 4.270 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.433 5.794 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.358 5.834 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.566 6.212 -4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.902 4.344 -6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.671 4.283 -5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.261 3.377 -5.561 1.00 0.00 H new ATOM 739 N SER A 50 7.717 3.632 -1.366 1.00 0.00 N ATOM 740 CA SER A 50 6.565 2.956 -0.705 1.00 0.00 C ATOM 741 C SER A 50 6.021 1.861 -1.624 1.00 0.00 C ATOM 742 O SER A 50 5.680 2.108 -2.762 1.00 0.00 O ATOM 743 CB SER A 50 5.464 3.981 -0.428 1.00 0.00 C ATOM 744 OG SER A 50 6.054 5.199 0.004 1.00 0.00 O ATOM 0 H SER A 50 7.577 3.863 -2.350 1.00 0.00 H new ATOM 0 HA SER A 50 6.894 2.512 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.873 4.149 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.783 3.603 0.334 1.00 0.00 H new ATOM 0 HG SER A 50 6.404 5.686 -0.771 1.00 0.00 H new ATOM 750 N ILE A 51 5.940 0.653 -1.142 1.00 0.00 N ATOM 751 CA ILE A 51 5.416 -0.451 -1.995 1.00 0.00 C ATOM 752 C ILE A 51 3.898 -0.314 -2.124 1.00 0.00 C ATOM 753 O ILE A 51 3.160 -0.608 -1.206 1.00 0.00 O ATOM 754 CB ILE A 51 5.753 -1.795 -1.349 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.232 -1.814 -0.952 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.479 -2.922 -2.344 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.099 -1.922 -2.208 1.00 0.00 C ATOM 0 H ILE A 51 6.213 0.382 -0.197 1.00 0.00 H new ATOM 0 HA ILE A 51 5.872 -0.398 -2.983 1.00 0.00 H new ATOM 0 HB ILE A 51 5.136 -1.936 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.483 -0.907 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.430 -2.655 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.719 -3.880 -1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.427 -2.909 -2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.096 -2.781 -3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.151 -1.935 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.855 -2.841 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.909 -1.066 -2.856 1.00 0.00 H new ATOM 769 N GLY A 52 3.421 0.134 -3.255 1.00 0.00 N ATOM 770 CA GLY A 52 1.949 0.288 -3.424 1.00 0.00 C ATOM 771 C GLY A 52 1.579 0.119 -4.898 1.00 0.00 C ATOM 772 O GLY A 52 2.433 0.017 -5.755 1.00 0.00 O ATOM 0 H GLY A 52 3.984 0.398 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.424 -0.453 -2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.633 1.269 -3.070 1.00 0.00 H new ATOM 776 N GLY A 53 0.311 0.090 -5.197 1.00 0.00 N ATOM 777 CA GLY A 53 -0.118 -0.071 -6.615 1.00 0.00 C ATOM 778 C GLY A 53 -0.131 -1.556 -6.980 1.00 0.00 C ATOM 779 O GLY A 53 -0.181 -1.920 -8.137 1.00 0.00 O ATOM 0 H GLY A 53 -0.448 0.171 -4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.110 0.358 -6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.560 0.470 -7.275 1.00 0.00 H new ATOM 783 N ASP A 54 -0.089 -2.418 -6.000 1.00 0.00 N ATOM 784 CA ASP A 54 -0.101 -3.879 -6.293 1.00 0.00 C ATOM 785 C ASP A 54 -1.540 -4.395 -6.246 1.00 0.00 C ATOM 786 O ASP A 54 -2.389 -3.834 -5.582 1.00 0.00 O ATOM 787 CB ASP A 54 0.741 -4.616 -5.250 1.00 0.00 C ATOM 788 CG ASP A 54 2.227 -4.426 -5.567 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.762 -5.238 -6.304 1.00 0.00 O ATOM 790 OD2 ASP A 54 2.802 -3.474 -5.068 1.00 0.00 O ATOM 0 H ASP A 54 -0.047 -2.174 -5.011 1.00 0.00 H new ATOM 0 HA ASP A 54 0.316 -4.055 -7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.519 -4.235 -4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.491 -5.677 -5.249 1.00 0.00 H new ATOM 795 N ILE A 55 -1.823 -5.460 -6.945 1.00 0.00 N ATOM 796 CA ILE A 55 -3.207 -6.008 -6.939 1.00 0.00 C ATOM 797 C ILE A 55 -3.511 -6.619 -5.570 1.00 0.00 C ATOM 798 O ILE A 55 -2.634 -7.114 -4.891 1.00 0.00 O ATOM 799 CB ILE A 55 -3.333 -7.086 -8.018 1.00 0.00 C ATOM 800 CG1 ILE A 55 -3.329 -6.426 -9.400 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.641 -7.854 -7.825 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.644 -5.672 -9.609 1.00 0.00 C ATOM 0 H ILE A 55 -1.155 -5.974 -7.520 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.915 -5.205 -7.142 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.493 -7.776 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.486 -5.740 -9.485 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.204 -7.182 -10.175 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.729 -8.621 -8.594 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.645 -8.324 -6.841 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.482 -7.165 -7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.642 -5.202 -10.592 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.478 -6.370 -9.543 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.750 -4.906 -8.841 1.00 0.00 H new ATOM 814 N PHE A 56 -4.750 -6.591 -5.162 1.00 0.00 N ATOM 815 CA PHE A 56 -5.114 -7.172 -3.840 1.00 0.00 C ATOM 816 C PHE A 56 -6.106 -8.317 -4.054 1.00 0.00 C ATOM 817 O PHE A 56 -7.304 -8.117 -4.096 1.00 0.00 O ATOM 818 CB PHE A 56 -5.753 -6.090 -2.962 1.00 0.00 C ATOM 819 CG PHE A 56 -6.100 -6.678 -1.616 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.083 -7.143 -0.772 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.437 -6.760 -1.212 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.406 -7.688 0.477 1.00 0.00 C ATOM 823 CE2 PHE A 56 -7.759 -7.305 0.036 1.00 0.00 C ATOM 824 CZ PHE A 56 -6.744 -7.768 0.881 1.00 0.00 C ATOM 0 H PHE A 56 -5.527 -6.190 -5.688 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.220 -7.551 -3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.066 -5.253 -2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.650 -5.699 -3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.051 -7.081 -1.084 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.221 -6.403 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.623 -8.047 1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.791 -7.368 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.993 -8.187 1.845 1.00 0.00 H new ATOM 905 N LYS A 62 -12.153 -9.409 3.001 1.00 0.00 N ATOM 906 CA LYS A 62 -12.891 -8.556 3.974 1.00 0.00 C ATOM 907 C LYS A 62 -13.199 -7.197 3.341 1.00 0.00 C ATOM 908 O LYS A 62 -13.806 -6.341 3.952 1.00 0.00 O ATOM 909 CB LYS A 62 -12.032 -8.354 5.224 1.00 0.00 C ATOM 910 CG LYS A 62 -12.660 -9.102 6.402 1.00 0.00 C ATOM 911 CD LYS A 62 -13.677 -8.198 7.101 1.00 0.00 C ATOM 912 CE LYS A 62 -15.084 -8.523 6.595 1.00 0.00 C ATOM 913 NZ LYS A 62 -16.085 -8.142 7.631 1.00 0.00 N ATOM 0 HA LYS A 62 -13.826 -9.045 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.020 -8.719 5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.952 -7.292 5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.148 -10.011 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.886 -9.408 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.625 -8.342 8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.442 -7.151 6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.282 -7.985 5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.164 -9.586 6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.041 -8.363 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.900 -8.674 8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.013 -7.123 7.825 1.00 0.00 H new ATOM 927 N LEU A 63 -12.787 -6.990 2.118 1.00 0.00 N ATOM 928 CA LEU A 63 -13.064 -5.687 1.452 1.00 0.00 C ATOM 929 C LEU A 63 -14.409 -5.772 0.720 1.00 0.00 C ATOM 930 O LEU A 63 -14.762 -6.811 0.200 1.00 0.00 O ATOM 931 CB LEU A 63 -11.950 -5.381 0.447 1.00 0.00 C ATOM 932 CG LEU A 63 -10.684 -4.961 1.196 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.476 -5.084 0.266 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.820 -3.508 1.658 1.00 0.00 C ATOM 0 H LEU A 63 -12.272 -7.666 1.554 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.104 -4.893 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.748 -6.260 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.265 -4.586 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.546 -5.608 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.574 -4.785 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.376 -6.118 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.616 -4.437 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.917 -3.210 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.959 -2.862 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.680 -3.416 2.321 1.00 0.00 H new ATOM 946 N PRO A 64 -15.122 -4.672 0.705 1.00 0.00 N ATOM 947 CA PRO A 64 -16.438 -4.602 0.043 1.00 0.00 C ATOM 948 C PRO A 64 -16.301 -4.915 -1.448 1.00 0.00 C ATOM 949 O PRO A 64 -15.246 -4.757 -2.029 1.00 0.00 O ATOM 950 CB PRO A 64 -16.905 -3.155 0.251 1.00 0.00 C ATOM 951 CG PRO A 64 -15.801 -2.413 1.048 1.00 0.00 C ATOM 952 CD PRO A 64 -14.677 -3.420 1.338 1.00 0.00 C ATOM 0 HA PRO A 64 -17.146 -5.324 0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.077 -2.667 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.850 -3.132 0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.419 -1.568 0.476 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.205 -2.012 1.978 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.727 -3.083 0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.529 -3.550 2.410 1.00 0.00 H new ATOM 960 N GLY A 65 -17.358 -5.357 -2.072 1.00 0.00 N ATOM 961 CA GLY A 65 -17.285 -5.680 -3.526 1.00 0.00 C ATOM 962 C GLY A 65 -18.043 -6.979 -3.801 1.00 0.00 C ATOM 963 O GLY A 65 -18.687 -7.530 -2.931 1.00 0.00 O ATOM 0 H GLY A 65 -18.269 -5.509 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -17.713 -4.866 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.245 -5.782 -3.835 1.00 0.00 H new ATOM 1031 N THR A 70 -11.685 -7.158 -8.218 1.00 0.00 N ATOM 1032 CA THR A 70 -10.239 -6.954 -7.919 1.00 0.00 C ATOM 1033 C THR A 70 -10.067 -5.707 -7.051 1.00 0.00 C ATOM 1034 O THR A 70 -10.813 -4.753 -7.162 1.00 0.00 O ATOM 1035 CB THR A 70 -9.468 -6.775 -9.229 1.00 0.00 C ATOM 1036 OG1 THR A 70 -9.945 -7.707 -10.190 1.00 0.00 O ATOM 1037 CG2 THR A 70 -7.977 -7.012 -8.982 1.00 0.00 C ATOM 0 HA THR A 70 -9.853 -7.822 -7.385 1.00 0.00 H new ATOM 0 HB THR A 70 -9.616 -5.761 -9.602 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.839 -8.014 -9.932 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.429 -6.884 -9.915 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.612 -6.296 -8.246 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.827 -8.025 -8.609 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.089 -5.705 -6.188 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.868 -4.519 -5.313 1.00 0.00 C ATOM 1047 C TRP A 71 -7.449 -3.994 -5.513 1.00 0.00 C ATOM 1048 O TRP A 71 -6.641 -4.596 -6.190 1.00 0.00 O ATOM 1049 CB TRP A 71 -9.042 -4.925 -3.847 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.418 -4.575 -3.390 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.543 -5.216 -3.771 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -10.835 -3.524 -2.472 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.627 -4.624 -3.149 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.242 -3.576 -2.338 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.135 -2.538 -1.752 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -12.931 -2.681 -1.517 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -10.825 -1.638 -0.925 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.219 -1.709 -0.808 1.00 0.00 C ATOM 0 H TRP A 71 -8.433 -6.474 -6.051 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.590 -3.744 -5.572 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.872 -5.996 -3.733 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.302 -4.417 -3.228 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.589 -6.054 -4.451 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.593 -4.925 -3.274 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.060 -2.473 -1.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.006 -2.739 -1.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.278 -0.886 -0.376 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.744 -1.013 -0.170 1.00 0.00 H new ATOM 1069 N ARG A 72 -7.137 -2.880 -4.915 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.767 -2.321 -5.049 1.00 0.00 C ATOM 1071 C ARG A 72 -5.164 -2.191 -3.652 1.00 0.00 C ATOM 1072 O ARG A 72 -5.869 -1.981 -2.686 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.839 -0.947 -5.714 1.00 0.00 C ATOM 1074 CG ARG A 72 -6.530 -1.072 -7.073 1.00 0.00 C ATOM 1075 CD ARG A 72 -5.507 -0.853 -8.189 1.00 0.00 C ATOM 1076 NE ARG A 72 -5.996 0.207 -9.112 1.00 0.00 N ATOM 1077 CZ ARG A 72 -5.169 0.780 -9.944 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -4.524 0.061 -10.822 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -4.986 2.071 -9.898 1.00 0.00 N ATOM 0 H ARG A 72 -7.774 -2.332 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.148 -2.976 -5.663 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.387 -0.252 -5.078 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.836 -0.540 -5.840 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.986 -2.057 -7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.333 -0.340 -7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.546 -0.564 -7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.347 -1.781 -8.737 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.977 0.486 -9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.666 -0.948 -10.858 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.878 0.509 -11.472 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.489 2.633 -9.212 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.340 2.518 -10.548 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.875 -2.327 -3.522 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.266 -2.220 -2.168 1.00 0.00 C ATOM 1095 C GLU A 73 -2.104 -1.224 -2.187 1.00 0.00 C ATOM 1096 O GLU A 73 -1.474 -1.004 -3.204 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.753 -3.594 -1.731 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.722 -4.100 -2.741 1.00 0.00 C ATOM 1099 CD GLU A 73 -0.434 -4.482 -2.009 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -0.131 -3.844 -1.014 1.00 0.00 O ATOM 1101 OE2 GLU A 73 0.226 -5.406 -2.455 1.00 0.00 O ATOM 0 H GLU A 73 -3.223 -2.506 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.022 -1.868 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.304 -3.528 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.583 -4.297 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.117 -4.962 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.516 -3.329 -3.483 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.813 -0.626 -1.063 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.690 0.352 -1.001 1.00 0.00 C ATOM 1110 C ALA A 74 0.029 0.210 0.343 1.00 0.00 C ATOM 1111 O ALA A 74 -0.568 -0.133 1.344 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.239 1.773 -1.132 1.00 0.00 C ATOM 0 H ALA A 74 -2.307 -0.774 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 74 0.007 0.156 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.416 2.487 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.757 1.877 -2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.936 1.970 -0.317 1.00 0.00 H new ATOM 1118 N ASP A 75 1.309 0.466 0.373 1.00 0.00 N ATOM 1119 CA ASP A 75 2.063 0.337 1.653 1.00 0.00 C ATOM 1120 C ASP A 75 1.785 1.552 2.541 1.00 0.00 C ATOM 1121 O ASP A 75 1.994 2.682 2.149 1.00 0.00 O ATOM 1122 CB ASP A 75 3.561 0.256 1.358 1.00 0.00 C ATOM 1123 CG ASP A 75 4.018 -1.202 1.439 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.310 -2.053 0.926 1.00 0.00 O ATOM 1125 OD2 ASP A 75 5.067 -1.443 2.011 1.00 0.00 O ATOM 0 H ASP A 75 1.864 0.758 -0.431 1.00 0.00 H new ATOM 0 HA ASP A 75 1.743 -0.568 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.770 0.659 0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.117 0.863 2.073 1.00 0.00 H new ATOM 1130 N ILE A 76 1.321 1.325 3.739 1.00 0.00 N ATOM 1131 CA ILE A 76 1.036 2.462 4.659 1.00 0.00 C ATOM 1132 C ILE A 76 2.048 2.444 5.806 1.00 0.00 C ATOM 1133 O ILE A 76 2.387 1.402 6.329 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.380 2.320 5.219 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.391 2.404 4.072 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.652 3.446 6.218 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.475 3.846 3.567 1.00 0.00 C ATOM 0 H ILE A 76 1.127 0.399 4.121 1.00 0.00 H new ATOM 0 HA ILE A 76 1.115 3.405 4.117 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.476 1.358 5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.092 1.741 3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.371 2.069 4.412 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.662 3.343 6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.068 3.389 7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.556 4.409 5.716 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.195 3.904 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.795 4.498 4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.495 4.164 3.210 1.00 0.00 H new ATOM 1149 N ASN A 77 2.539 3.588 6.198 1.00 0.00 N ATOM 1150 CA ASN A 77 3.535 3.626 7.306 1.00 0.00 C ATOM 1151 C ASN A 77 4.778 2.838 6.888 1.00 0.00 C ATOM 1152 O ASN A 77 4.736 1.633 6.727 1.00 0.00 O ATOM 1153 CB ASN A 77 2.929 2.996 8.562 1.00 0.00 C ATOM 1154 CG ASN A 77 1.528 3.563 8.794 1.00 0.00 C ATOM 1155 OD1 ASN A 77 0.556 2.834 8.784 1.00 0.00 O ATOM 1156 ND2 ASN A 77 1.381 4.843 9.004 1.00 0.00 N ATOM 0 H ASN A 77 2.295 4.495 5.800 1.00 0.00 H new ATOM 0 HA ASN A 77 3.808 4.660 7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.880 1.913 8.451 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.562 3.200 9.425 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.450 5.231 9.160 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.197 5.455 9.013 1.00 0.00 H new ATOM 1163 N TYR A 78 5.886 3.503 6.708 1.00 0.00 N ATOM 1164 CA TYR A 78 7.123 2.792 6.300 1.00 0.00 C ATOM 1165 C TYR A 78 8.317 3.744 6.388 1.00 0.00 C ATOM 1166 O TYR A 78 8.261 4.871 5.937 1.00 0.00 O ATOM 1167 CB TYR A 78 6.969 2.288 4.862 1.00 0.00 C ATOM 1168 CG TYR A 78 8.260 1.651 4.406 1.00 0.00 C ATOM 1169 CD1 TYR A 78 9.376 2.450 4.134 1.00 0.00 C ATOM 1170 CD2 TYR A 78 8.339 0.262 4.252 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.572 1.860 3.708 1.00 0.00 C ATOM 1172 CE2 TYR A 78 9.535 -0.329 3.826 1.00 0.00 C ATOM 1173 CZ TYR A 78 10.652 0.471 3.555 1.00 0.00 C ATOM 1174 OH TYR A 78 11.831 -0.110 3.134 1.00 0.00 O ATOM 0 H TYR A 78 5.985 4.511 6.827 1.00 0.00 H new ATOM 0 HA TYR A 78 7.291 1.945 6.965 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.155 1.565 4.805 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.707 3.115 4.202 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.315 3.522 4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.477 -0.354 4.462 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.433 2.477 3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.596 -1.401 3.707 1.00 0.00 H new ATOM 0 HH TYR A 78 12.176 -0.698 3.838 1.00 0.00 H new ATOM 1184 N THR A 79 9.401 3.298 6.962 1.00 0.00 N ATOM 1185 CA THR A 79 10.600 4.173 7.078 1.00 0.00 C ATOM 1186 C THR A 79 11.855 3.345 6.834 1.00 0.00 C ATOM 1187 O THR A 79 12.432 3.358 5.766 1.00 0.00 O ATOM 1188 CB THR A 79 10.656 4.780 8.483 1.00 0.00 C ATOM 1189 OG1 THR A 79 10.205 3.820 9.429 1.00 0.00 O ATOM 1190 CG2 THR A 79 9.760 6.018 8.543 1.00 0.00 C ATOM 0 H THR A 79 9.507 2.363 7.356 1.00 0.00 H new ATOM 0 HA THR A 79 10.540 4.972 6.339 1.00 0.00 H new ATOM 0 HB THR A 79 11.682 5.066 8.715 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.242 4.206 10.329 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.801 6.449 9.543 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.106 6.753 7.817 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.733 5.735 8.311 1.00 0.00 H new ATOM 1198 N SER A 80 12.274 2.624 7.826 1.00 0.00 N ATOM 1199 CA SER A 80 13.493 1.779 7.682 1.00 0.00 C ATOM 1200 C SER A 80 13.329 0.503 8.511 1.00 0.00 C ATOM 1201 O SER A 80 12.523 0.442 9.419 1.00 0.00 O ATOM 1202 CB SER A 80 14.713 2.556 8.178 1.00 0.00 C ATOM 1203 OG SER A 80 14.647 3.891 7.697 1.00 0.00 O ATOM 0 H SER A 80 11.824 2.580 8.740 1.00 0.00 H new ATOM 0 HA SER A 80 13.632 1.516 6.633 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.743 2.551 9.268 1.00 0.00 H new ATOM 0 HB3 SER A 80 15.629 2.077 7.831 1.00 0.00 H new ATOM 0 HG SER A 80 15.427 4.392 8.015 1.00 0.00 H new ATOM 1209 N GLY A 81 14.086 -0.516 8.208 1.00 0.00 N ATOM 1210 CA GLY A 81 13.971 -1.785 8.979 1.00 0.00 C ATOM 1211 C GLY A 81 13.184 -2.810 8.160 1.00 0.00 C ATOM 1212 O GLY A 81 12.925 -2.617 6.989 1.00 0.00 O ATOM 0 H GLY A 81 14.779 -0.524 7.460 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.963 -2.173 9.211 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.470 -1.601 9.930 1.00 0.00 H new ATOM 1216 N PHE A 82 12.802 -3.901 8.766 1.00 0.00 N ATOM 1217 CA PHE A 82 12.032 -4.937 8.019 1.00 0.00 C ATOM 1218 C PHE A 82 10.684 -4.357 7.585 1.00 0.00 C ATOM 1219 O PHE A 82 10.080 -3.572 8.289 1.00 0.00 O ATOM 1220 CB PHE A 82 11.798 -6.148 8.925 1.00 0.00 C ATOM 1221 CG PHE A 82 12.586 -7.328 8.408 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.983 -7.329 8.500 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.921 -8.417 7.835 1.00 0.00 C ATOM 1224 CE1 PHE A 82 14.714 -8.422 8.018 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.651 -9.510 7.353 1.00 0.00 C ATOM 1226 CZ PHE A 82 14.047 -9.513 7.444 1.00 0.00 C ATOM 0 H PHE A 82 12.989 -4.120 9.744 1.00 0.00 H new ATOM 0 HA PHE A 82 12.595 -5.244 7.138 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.101 -5.915 9.946 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.736 -6.392 8.955 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.496 -6.488 8.942 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.843 -8.415 7.764 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.792 -8.424 8.089 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.137 -10.351 6.911 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.611 -10.356 7.072 1.00 0.00 H new ATOM 1236 N ARG A 83 10.205 -4.738 6.430 1.00 0.00 N ATOM 1237 CA ARG A 83 8.894 -4.207 5.956 1.00 0.00 C ATOM 1238 C ARG A 83 7.893 -4.229 7.114 1.00 0.00 C ATOM 1239 O ARG A 83 8.104 -4.885 8.115 1.00 0.00 O ATOM 1240 CB ARG A 83 8.369 -5.078 4.810 1.00 0.00 C ATOM 1241 CG ARG A 83 9.183 -4.804 3.541 1.00 0.00 C ATOM 1242 CD ARG A 83 8.283 -4.942 2.307 1.00 0.00 C ATOM 1243 NE ARG A 83 7.208 -5.937 2.579 1.00 0.00 N ATOM 1244 CZ ARG A 83 6.165 -5.998 1.798 1.00 0.00 C ATOM 1245 NH1 ARG A 83 5.555 -4.902 1.438 1.00 0.00 N ATOM 1246 NH2 ARG A 83 5.730 -7.155 1.377 1.00 0.00 N ATOM 0 H ARG A 83 10.664 -5.392 5.796 1.00 0.00 H new ATOM 0 HA ARG A 83 9.022 -3.185 5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.440 -6.132 5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.315 -4.865 4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.610 -3.802 3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.017 -5.503 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.843 -3.977 2.056 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.874 -5.257 1.447 1.00 0.00 H new ATOM 0 HE ARG A 83 7.288 -6.570 3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.894 -3.998 1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.739 -4.949 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.206 -8.012 1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.914 -7.202 0.766 1.00 0.00 H new ATOM 1260 N ASN A 84 6.807 -3.515 6.990 1.00 0.00 N ATOM 1261 CA ASN A 84 5.800 -3.497 8.089 1.00 0.00 C ATOM 1262 C ASN A 84 4.571 -4.308 7.674 1.00 0.00 C ATOM 1263 O ASN A 84 4.571 -4.982 6.664 1.00 0.00 O ATOM 1264 CB ASN A 84 5.383 -2.054 8.378 1.00 0.00 C ATOM 1265 CG ASN A 84 5.348 -1.261 7.070 1.00 0.00 C ATOM 1266 OD1 ASN A 84 4.421 -1.387 6.295 1.00 0.00 O ATOM 1267 ND2 ASN A 84 6.325 -0.443 6.791 1.00 0.00 N ATOM 0 H ASN A 84 6.574 -2.945 6.177 1.00 0.00 H new ATOM 0 HA ASN A 84 6.238 -3.936 8.985 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.402 -2.036 8.853 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.083 -1.595 9.076 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.311 0.091 5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.103 -0.337 7.442 1.00 0.00 H new ATOM 1274 N SER A 85 3.522 -4.247 8.449 1.00 0.00 N ATOM 1275 CA SER A 85 2.293 -5.013 8.102 1.00 0.00 C ATOM 1276 C SER A 85 1.108 -4.052 7.982 1.00 0.00 C ATOM 1277 O SER A 85 -0.034 -4.440 8.120 1.00 0.00 O ATOM 1278 CB SER A 85 2.006 -6.040 9.198 1.00 0.00 C ATOM 1279 OG SER A 85 1.915 -7.333 8.617 1.00 0.00 O ATOM 0 H SER A 85 3.464 -3.699 9.308 1.00 0.00 H new ATOM 0 HA SER A 85 2.442 -5.526 7.152 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.797 -6.020 9.947 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.076 -5.792 9.710 1.00 0.00 H new ATOM 0 HG SER A 85 1.623 -7.977 9.296 1.00 0.00 H new ATOM 1285 N ASP A 86 1.372 -2.800 7.723 1.00 0.00 N ATOM 1286 CA ASP A 86 0.262 -1.816 7.593 1.00 0.00 C ATOM 1287 C ASP A 86 0.125 -1.396 6.128 1.00 0.00 C ATOM 1288 O ASP A 86 1.094 -1.069 5.474 1.00 0.00 O ATOM 1289 CB ASP A 86 0.569 -0.584 8.449 1.00 0.00 C ATOM 1290 CG ASP A 86 0.449 -0.948 9.929 1.00 0.00 C ATOM 1291 OD1 ASP A 86 0.879 -2.031 10.288 1.00 0.00 O ATOM 1292 OD2 ASP A 86 -0.071 -0.138 10.677 1.00 0.00 O ATOM 0 H ASP A 86 2.309 -2.417 7.596 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.669 -2.271 7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.573 -0.220 8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.122 0.223 8.205 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.072 -1.406 5.608 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.270 -1.011 4.184 1.00 0.00 C ATOM 1299 C ARG A 87 -2.720 -0.574 3.971 1.00 0.00 C ATOM 1300 O ARG A 87 -3.604 -0.944 4.717 1.00 0.00 O ATOM 1301 CB ARG A 87 -0.965 -2.206 3.278 1.00 0.00 C ATOM 1302 CG ARG A 87 0.504 -2.606 3.430 1.00 0.00 C ATOM 1303 CD ARG A 87 0.928 -3.451 2.228 1.00 0.00 C ATOM 1304 NE ARG A 87 1.993 -4.407 2.643 1.00 0.00 N ATOM 1305 CZ ARG A 87 2.292 -5.422 1.879 1.00 0.00 C ATOM 1306 NH1 ARG A 87 1.861 -5.463 0.648 1.00 0.00 N ATOM 1307 NH2 ARG A 87 3.025 -6.395 2.346 1.00 0.00 N ATOM 0 H ARG A 87 -1.921 -1.670 6.107 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.601 -0.186 3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.609 -3.046 3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.177 -1.951 2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.129 -1.716 3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.645 -3.169 4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.071 -3.995 1.832 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.294 -2.807 1.428 1.00 0.00 H new ATOM 0 HE ARG A 87 2.488 -4.268 3.524 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.290 -4.701 0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.095 -6.257 0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.364 -6.362 3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.259 -7.189 1.750 1.00 0.00 H new ATOM 1321 N ILE A 88 -2.974 0.203 2.955 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.370 0.654 2.695 1.00 0.00 C ATOM 1323 C ILE A 88 -4.868 0.027 1.391 1.00 0.00 C ATOM 1324 O ILE A 88 -4.142 -0.078 0.422 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.406 2.180 2.586 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.859 2.658 2.629 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.767 2.614 1.269 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -5.976 3.848 3.583 1.00 0.00 C ATOM 0 H ILE A 88 -2.276 0.545 2.294 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.015 0.342 3.516 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.853 2.616 3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.188 2.945 1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.510 1.848 2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.793 3.701 1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.732 2.273 1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.319 2.178 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.011 4.189 3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.664 3.545 4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.337 4.659 3.233 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.100 -0.398 1.364 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.654 -1.029 0.131 1.00 0.00 C ATOM 1342 C LEU A 89 -7.660 -0.082 -0.529 1.00 0.00 C ATOM 1343 O LEU A 89 -8.604 0.359 0.092 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.380 -2.328 0.506 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.371 -3.393 0.940 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.310 -3.566 -0.147 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.701 -2.964 2.247 1.00 0.00 C ATOM 0 H LEU A 89 -6.751 -0.336 2.146 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.836 -1.239 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.088 -2.137 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.957 -2.689 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.889 -4.340 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.592 -4.325 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.788 -3.877 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.793 -2.620 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.983 -3.724 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.184 -2.016 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.458 -2.846 3.022 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.491 0.213 -1.789 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.472 1.105 -2.469 1.00 0.00 C ATOM 1361 C TYR A 90 -9.162 0.315 -3.583 1.00 0.00 C ATOM 1362 O TYR A 90 -8.543 -0.475 -4.271 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.781 2.343 -3.054 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.395 2.001 -3.549 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.384 1.671 -2.638 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -6.121 2.026 -4.920 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -4.099 1.364 -3.101 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -4.837 1.718 -5.383 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.826 1.387 -4.473 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.559 1.084 -4.930 1.00 0.00 O ATOM 0 H TYR A 90 -6.724 -0.121 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.206 1.448 -1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.376 2.744 -3.874 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.719 3.123 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.595 1.653 -1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.901 2.283 -5.622 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.319 1.109 -2.399 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.626 1.736 -6.442 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.230 0.281 -4.474 1.00 0.00 H new ATOM 1380 N SER A 91 -10.444 0.503 -3.755 1.00 0.00 N ATOM 1381 CA SER A 91 -11.168 -0.263 -4.815 1.00 0.00 C ATOM 1382 C SER A 91 -11.542 0.662 -5.982 1.00 0.00 C ATOM 1383 O SER A 91 -11.308 1.853 -5.946 1.00 0.00 O ATOM 1384 CB SER A 91 -12.433 -0.885 -4.216 1.00 0.00 C ATOM 1385 OG SER A 91 -13.567 -0.129 -4.610 1.00 0.00 O ATOM 0 H SER A 91 -11.018 1.148 -3.213 1.00 0.00 H new ATOM 0 HA SER A 91 -10.517 -1.051 -5.193 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.537 -1.917 -4.551 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.359 -0.909 -3.129 1.00 0.00 H new ATOM 0 HG SER A 91 -13.552 0.741 -4.160 1.00 0.00 H new ATOM 1391 N SER A 92 -12.112 0.110 -7.023 1.00 0.00 N ATOM 1392 CA SER A 92 -12.490 0.939 -8.205 1.00 0.00 C ATOM 1393 C SER A 92 -13.562 1.956 -7.822 1.00 0.00 C ATOM 1394 O SER A 92 -13.696 2.994 -8.440 1.00 0.00 O ATOM 1395 CB SER A 92 -13.021 0.033 -9.316 1.00 0.00 C ATOM 1396 OG SER A 92 -14.441 -0.008 -9.250 1.00 0.00 O ATOM 0 H SER A 92 -12.332 -0.883 -7.104 1.00 0.00 H new ATOM 0 HA SER A 92 -11.607 1.473 -8.556 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.701 0.406 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.611 -0.971 -9.209 1.00 0.00 H new ATOM 0 HG SER A 92 -14.785 -0.587 -9.962 1.00 0.00 H new ATOM 1402 N ASP A 93 -14.323 1.673 -6.810 1.00 0.00 N ATOM 1403 CA ASP A 93 -15.380 2.623 -6.391 1.00 0.00 C ATOM 1404 C ASP A 93 -14.794 3.609 -5.373 1.00 0.00 C ATOM 1405 O ASP A 93 -15.508 4.291 -4.665 1.00 0.00 O ATOM 1406 CB ASP A 93 -16.568 1.853 -5.790 1.00 0.00 C ATOM 1407 CG ASP A 93 -16.352 1.604 -4.295 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -15.207 1.495 -3.889 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -17.338 1.526 -3.580 1.00 0.00 O ATOM 0 H ASP A 93 -14.258 0.821 -6.253 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.742 3.181 -7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -17.488 2.419 -5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.691 0.902 -6.308 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.492 3.686 -5.312 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.824 4.623 -4.366 1.00 0.00 C ATOM 1416 C TRP A 94 -13.058 4.189 -2.918 1.00 0.00 C ATOM 1417 O TRP A 94 -13.064 4.999 -2.012 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.350 6.044 -4.579 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.463 6.748 -5.555 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.890 7.528 -6.573 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -11.006 6.742 -5.627 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.790 8.001 -7.267 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.606 7.543 -6.722 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -10.002 6.124 -4.857 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.260 7.725 -7.042 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.647 6.305 -5.177 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.277 7.103 -6.267 1.00 0.00 C ATOM 0 H TRP A 94 -12.856 3.132 -5.885 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.752 4.605 -4.562 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.373 6.015 -4.953 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.372 6.584 -3.632 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.922 7.747 -6.807 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.847 8.613 -8.081 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.276 5.506 -4.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.980 8.342 -7.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.886 5.826 -4.579 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.233 7.238 -6.508 1.00 0.00 H new ATOM 1438 N LEU A 95 -13.223 2.916 -2.687 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.420 2.437 -1.290 1.00 0.00 C ATOM 1440 C LEU A 95 -12.043 2.275 -0.649 1.00 0.00 C ATOM 1441 O LEU A 95 -11.203 1.554 -1.151 1.00 0.00 O ATOM 1442 CB LEU A 95 -14.140 1.086 -1.301 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.642 1.303 -1.133 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -16.347 -0.050 -1.036 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.902 2.104 0.146 1.00 0.00 C ATOM 0 H LEU A 95 -13.230 2.189 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.023 3.151 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.940 0.564 -2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.762 0.455 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 95 -16.026 1.852 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.419 0.106 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.163 -0.622 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.962 -0.600 -0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.974 2.259 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.516 1.554 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.401 3.070 0.079 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.789 2.952 0.438 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.448 2.839 1.078 1.00 0.00 C ATOM 1459 C ILE A 96 -10.561 2.201 2.465 1.00 0.00 C ATOM 1460 O ILE A 96 -11.099 2.779 3.391 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.827 4.231 1.211 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.232 5.088 0.010 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.303 4.105 1.255 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.396 6.369 -0.006 1.00 0.00 C ATOM 0 H ILE A 96 -12.447 3.574 0.908 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.817 2.207 0.452 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.181 4.701 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.082 4.531 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.293 5.334 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.859 5.096 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.013 3.494 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.950 3.635 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.684 6.980 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.569 6.928 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.339 6.113 -0.082 1.00 0.00 H new ATOM 1476 N TYR A 97 -10.031 1.018 2.615 1.00 0.00 N ATOM 1477 CA TYR A 97 -10.068 0.330 3.933 1.00 0.00 C ATOM 1478 C TYR A 97 -8.638 0.253 4.469 1.00 0.00 C ATOM 1479 O TYR A 97 -7.774 -0.337 3.857 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.618 -1.085 3.757 1.00 0.00 C ATOM 1481 CG TYR A 97 -12.126 -1.050 3.779 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.833 -0.704 2.623 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.817 -1.366 4.956 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.232 -0.673 2.641 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.216 -1.335 4.974 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.924 -0.988 3.816 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.303 -0.958 3.833 1.00 0.00 O ATOM 0 H TYR A 97 -9.569 0.495 1.871 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.707 0.877 4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.268 -1.507 2.815 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.248 -1.731 4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.299 -0.461 1.716 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.271 -1.633 5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.778 -0.406 1.748 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.750 -1.579 5.881 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.625 -1.204 4.726 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.369 0.850 5.594 1.00 0.00 N ATOM 1498 CA LYS A 98 -6.979 0.809 6.129 1.00 0.00 C ATOM 1499 C LYS A 98 -6.797 -0.429 7.009 1.00 0.00 C ATOM 1500 O LYS A 98 -7.639 -0.760 7.821 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.715 2.067 6.959 1.00 0.00 C ATOM 1502 CG LYS A 98 -7.827 2.238 7.997 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.212 2.337 9.395 1.00 0.00 C ATOM 1504 CE LYS A 98 -7.792 3.549 10.125 1.00 0.00 C ATOM 1505 NZ LYS A 98 -7.665 3.350 11.596 1.00 0.00 N ATOM 0 H LYS A 98 -9.044 1.361 6.163 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.276 0.765 5.297 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.748 1.991 7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.672 2.941 6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.407 3.135 7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.515 1.394 7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.417 1.427 9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.128 2.428 9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.266 4.455 9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.839 3.683 9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.059 4.174 12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.186 2.495 11.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.661 3.242 11.846 1.00 0.00 H new ATOM 1519 N THR A 99 -5.696 -1.114 6.854 1.00 0.00 N ATOM 1520 CA THR A 99 -5.443 -2.330 7.677 1.00 0.00 C ATOM 1521 C THR A 99 -4.094 -2.192 8.386 1.00 0.00 C ATOM 1522 O THR A 99 -3.096 -1.856 7.780 1.00 0.00 O ATOM 1523 CB THR A 99 -5.418 -3.571 6.776 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.517 -4.525 7.318 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.965 -3.181 5.367 1.00 0.00 C ATOM 0 H THR A 99 -4.958 -0.882 6.189 1.00 0.00 H new ATOM 0 HA THR A 99 -6.238 -2.436 8.415 1.00 0.00 H new ATOM 0 HB THR A 99 -6.419 -4.000 6.723 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.876 -4.872 8.161 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.949 -4.067 4.732 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.658 -2.449 4.952 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.965 -2.749 5.413 1.00 0.00 H new ATOM 1533 N THR A 100 -4.053 -2.449 9.665 1.00 0.00 N ATOM 1534 CA THR A 100 -2.766 -2.332 10.409 1.00 0.00 C ATOM 1535 C THR A 100 -2.340 -3.712 10.912 1.00 0.00 C ATOM 1536 O THR A 100 -1.721 -3.843 11.949 1.00 0.00 O ATOM 1537 CB THR A 100 -2.947 -1.389 11.602 1.00 0.00 C ATOM 1538 OG1 THR A 100 -3.968 -1.896 12.452 1.00 0.00 O ATOM 1539 CG2 THR A 100 -3.341 0.001 11.101 1.00 0.00 C ATOM 0 H THR A 100 -4.855 -2.735 10.227 1.00 0.00 H new ATOM 0 HA THR A 100 -1.999 -1.934 9.745 1.00 0.00 H new ATOM 0 HB THR A 100 -2.012 -1.320 12.157 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.085 -1.295 13.217 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.470 0.671 11.951 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.558 0.388 10.449 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.277 -0.064 10.546 1.00 0.00 H new ATOM 1547 N ASP A 101 -2.669 -4.745 10.186 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.287 -6.119 10.625 1.00 0.00 C ATOM 1549 C ASP A 101 -2.090 -7.013 9.398 1.00 0.00 C ATOM 1550 O ASP A 101 -2.133 -8.224 9.490 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.381 -6.722 11.525 1.00 0.00 C ATOM 1552 CG ASP A 101 -4.531 -5.726 11.720 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -4.976 -5.160 10.735 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -4.948 -5.548 12.853 1.00 0.00 O ATOM 0 H ASP A 101 -3.186 -4.698 9.308 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.358 -6.058 11.192 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.761 -7.641 11.079 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.957 -6.989 12.493 1.00 0.00 H new ATOM 1559 N HIS A 102 -1.868 -6.423 8.254 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.657 -7.234 7.018 1.00 0.00 C ATOM 1561 C HIS A 102 -3.003 -7.719 6.475 1.00 0.00 C ATOM 1562 O HIS A 102 -3.340 -8.883 6.567 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.771 -8.439 7.338 1.00 0.00 C ATOM 1564 CG HIS A 102 -0.029 -8.859 6.099 1.00 0.00 C ATOM 1565 ND1 HIS A 102 -0.277 -10.065 5.462 1.00 0.00 N ATOM 1566 CD2 HIS A 102 0.958 -8.245 5.368 1.00 0.00 C ATOM 1567 CE1 HIS A 102 0.544 -10.138 4.398 1.00 0.00 C ATOM 1568 NE2 HIS A 102 1.318 -9.054 4.295 1.00 0.00 N ATOM 0 H HIS A 102 -1.823 -5.413 8.121 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.170 -6.614 6.265 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -0.065 -8.185 8.129 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.380 -9.264 7.707 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.389 -7.281 5.592 1.00 0.00 H new ATOM 0 HE1 HIS A 102 0.573 -10.971 3.711 1.00 0.00 H new ATOM 0 HE2 HIS A 102 2.022 -8.861 3.583 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.772 -6.836 5.899 1.00 0.00 N ATOM 1577 CA TYR A 103 -5.091 -7.242 5.336 1.00 0.00 C ATOM 1578 C TYR A 103 -5.897 -8.008 6.388 1.00 0.00 C ATOM 1579 O TYR A 103 -6.598 -8.952 6.078 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.866 -8.138 4.116 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.768 -7.555 3.258 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.724 -6.177 3.015 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.792 -8.395 2.706 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.705 -5.639 2.220 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.775 -7.857 1.910 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.731 -6.478 1.666 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.728 -5.948 0.881 1.00 0.00 O ATOM 0 H TYR A 103 -3.543 -5.848 5.794 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.645 -6.350 5.043 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.597 -9.145 4.436 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.787 -8.223 3.539 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.476 -5.529 3.441 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.825 -9.458 2.895 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.670 -4.576 2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.024 -8.505 1.483 1.00 0.00 H new ATOM 0 HH TYR A 103 -1.055 -5.140 0.434 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.815 -7.607 7.626 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.590 -8.312 8.688 1.00 0.00 C ATOM 1599 C GLN A 104 -7.792 -7.458 9.077 1.00 0.00 C ATOM 1600 O GLN A 104 -8.922 -7.758 8.747 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.697 -8.542 9.911 1.00 0.00 C ATOM 1602 CG GLN A 104 -6.086 -9.857 10.589 1.00 0.00 C ATOM 1603 CD GLN A 104 -6.025 -10.996 9.570 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -5.019 -11.191 8.917 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -7.068 -11.764 9.406 1.00 0.00 N ATOM 0 H GLN A 104 -5.247 -6.824 7.949 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.934 -9.277 8.315 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.650 -8.572 9.609 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.803 -7.714 10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.412 -10.063 11.420 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.091 -9.781 11.005 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.913 -11.601 9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -7.038 -12.527 8.730 1.00 0.00 H new ATOM 1614 N THR A 105 -7.546 -6.390 9.764 1.00 0.00 N ATOM 1615 CA THR A 105 -8.654 -5.484 10.177 1.00 0.00 C ATOM 1616 C THR A 105 -8.808 -4.387 9.125 1.00 0.00 C ATOM 1617 O THR A 105 -7.867 -3.690 8.802 1.00 0.00 O ATOM 1618 CB THR A 105 -8.322 -4.853 11.532 1.00 0.00 C ATOM 1619 OG1 THR A 105 -7.550 -5.764 12.300 1.00 0.00 O ATOM 1620 CG2 THR A 105 -9.617 -4.523 12.275 1.00 0.00 C ATOM 0 H THR A 105 -6.616 -6.097 10.064 1.00 0.00 H new ATOM 0 HA THR A 105 -9.583 -6.048 10.264 1.00 0.00 H new ATOM 0 HB THR A 105 -7.753 -3.936 11.377 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.770 -5.301 12.670 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.379 -4.074 13.239 1.00 0.00 H new ATOM 0 HG22 THR A 105 -10.207 -3.822 11.684 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.190 -5.437 12.432 1.00 0.00 H new ATOM 1628 N PHE A 106 -9.980 -4.233 8.574 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.174 -3.187 7.532 1.00 0.00 C ATOM 1630 C PHE A 106 -11.091 -2.083 8.061 1.00 0.00 C ATOM 1631 O PHE A 106 -12.219 -2.326 8.440 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.800 -3.820 6.290 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.824 -4.798 5.682 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.797 -4.338 4.848 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -9.946 -6.164 5.954 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.893 -5.247 4.286 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -9.043 -7.073 5.392 1.00 0.00 C ATOM 1638 CZ PHE A 106 -8.016 -6.615 4.558 1.00 0.00 C ATOM 0 H PHE A 106 -10.808 -4.784 8.799 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.208 -2.753 7.276 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.726 -4.330 6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.058 -3.048 5.565 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.703 -3.283 4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.738 -6.518 6.598 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.101 -4.893 3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.138 -8.128 5.602 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.319 -7.317 4.125 1.00 0.00 H new ATOM 1648 N THR A 107 -10.614 -0.868 8.081 1.00 0.00 N ATOM 1649 CA THR A 107 -11.454 0.257 8.573 1.00 0.00 C ATOM 1650 C THR A 107 -11.859 1.135 7.387 1.00 0.00 C ATOM 1651 O THR A 107 -11.037 1.520 6.582 1.00 0.00 O ATOM 1652 CB THR A 107 -10.656 1.089 9.579 1.00 0.00 C ATOM 1653 OG1 THR A 107 -9.921 0.222 10.431 1.00 0.00 O ATOM 1654 CG2 THR A 107 -11.614 1.940 10.415 1.00 0.00 C ATOM 0 H THR A 107 -9.676 -0.607 7.777 1.00 0.00 H new ATOM 0 HA THR A 107 -12.347 -0.136 9.060 1.00 0.00 H new ATOM 0 HB THR A 107 -9.967 1.743 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.408 0.754 11.075 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.044 2.532 11.131 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.176 2.605 9.760 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.305 1.290 10.951 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.116 1.452 7.267 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.563 2.298 6.125 1.00 0.00 C ATOM 1664 C LYS A 108 -13.249 3.766 6.418 1.00 0.00 C ATOM 1665 O LYS A 108 -13.811 4.364 7.314 1.00 0.00 O ATOM 1666 CB LYS A 108 -15.070 2.131 5.926 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.432 2.443 4.472 1.00 0.00 C ATOM 1668 CD LYS A 108 -16.945 2.630 4.348 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.396 3.769 5.265 1.00 0.00 C ATOM 1670 NZ LYS A 108 -18.714 4.287 4.801 1.00 0.00 N ATOM 0 H LYS A 108 -13.854 1.163 7.909 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.039 1.989 5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.370 1.113 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.612 2.797 6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.916 3.345 4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.101 1.633 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.211 2.854 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.459 1.707 4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.474 3.414 6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.656 4.569 5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.021 5.061 5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.625 4.641 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.417 3.521 4.828 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.358 4.352 5.665 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.012 5.783 5.900 1.00 0.00 C ATOM 1686 C ILE A 109 -12.478 6.619 4.707 1.00 0.00 C ATOM 1687 O ILE A 109 -12.553 7.829 4.776 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.498 5.925 6.064 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -9.795 5.310 4.851 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.050 5.199 7.333 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.287 5.539 4.966 1.00 0.00 C ATOM 0 H ILE A 109 -11.856 3.903 4.899 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.507 6.133 6.806 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.239 6.981 6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.008 4.243 4.796 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.173 5.758 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.971 5.301 7.449 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.550 5.635 8.198 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.309 4.143 7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.786 5.101 4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.083 6.609 5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.916 5.070 5.877 1.00 0.00 H new ATOM 1703 N ARG A 110 -12.791 5.982 3.612 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.252 6.739 2.415 1.00 0.00 C ATOM 1705 C ARG A 110 -14.092 5.823 1.523 1.00 0.00 C ATOM 1706 O ARG A 110 -14.578 4.823 2.026 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.036 7.241 1.631 1.00 0.00 C ATOM 1708 CG ARG A 110 -11.450 8.469 2.328 1.00 0.00 C ATOM 1709 CD ARG A 110 -10.988 9.482 1.278 1.00 0.00 C ATOM 1710 NE ARG A 110 -9.739 10.153 1.743 1.00 0.00 N ATOM 1711 CZ ARG A 110 -9.577 10.434 3.008 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -10.616 10.672 3.762 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -8.377 10.475 3.520 1.00 0.00 N ATOM 1714 OXT ARG A 110 -14.236 6.137 0.353 1.00 0.00 O ATOM 0 H ARG A 110 -12.747 4.970 3.495 1.00 0.00 H new ATOM 0 HA ARG A 110 -13.857 7.589 2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.284 6.455 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.326 7.493 0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.197 8.921 2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -10.611 8.176 2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.810 8.980 0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -11.768 10.223 1.106 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.010 10.393 1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.554 10.638 3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.490 10.891 4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.565 10.288 2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.251 10.695 4.508 1.00 0.00 H new