USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 725 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 25 GLN : amide:sc= -0.0906 K(o=-0.012,f=-0.66) USER MOD Set 1.2: A 85 TYR OH : rot 12:sc= 0.0783 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.61 K(o=-1.6,f=-6.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 24 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 28 ASN : amide:sc= -3.04! C(o=-3!,f=-4.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 152:sc= -0.492 (180deg=-2.43) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -107:sc= -2.2 (180deg=-4.06!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.538 F(o=-1.4,f=-0.54) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -159:sc= 0.153 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 72 GLN : amide:sc= -0.818 X(o=-0.82,f=-1!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0504 USER MOD Single : A 79 ASN : amide:sc= -0.172 K(o=-0.17,f=-0.93) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.552 -12.605 -9.668 1.00 0.00 N ATOM 31 CA LEU A 3 -10.144 -12.403 -8.283 1.00 0.00 C ATOM 32 C LEU A 3 -10.973 -13.269 -7.339 1.00 0.00 C ATOM 33 O LEU A 3 -12.165 -13.030 -7.147 1.00 0.00 O ATOM 34 CB LEU A 3 -10.284 -10.929 -7.897 1.00 0.00 C ATOM 35 CG LEU A 3 -9.067 -10.059 -8.214 1.00 0.00 C ATOM 36 CD1 LEU A 3 -9.499 -8.637 -8.538 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.088 -10.068 -7.050 1.00 0.00 C ATOM 0 HA LEU A 3 -9.098 -12.697 -8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.151 -10.515 -8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.488 -10.867 -6.828 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.565 -10.473 -9.088 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.620 -8.032 -8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.162 -8.646 -9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.024 -8.212 -7.682 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.228 -9.444 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.579 -9.678 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.754 -11.089 -6.863 1.00 0.00 H new ATOM 49 N LEU A 4 -10.334 -14.276 -6.753 1.00 0.00 N ATOM 50 CA LEU A 4 -11.013 -15.178 -5.830 1.00 0.00 C ATOM 51 C LEU A 4 -11.570 -14.414 -4.633 1.00 0.00 C ATOM 52 O LEU A 4 -11.206 -13.262 -4.395 1.00 0.00 O ATOM 53 CB LEU A 4 -10.053 -16.269 -5.352 1.00 0.00 C ATOM 54 CG LEU A 4 -10.690 -17.643 -5.136 1.00 0.00 C ATOM 55 CD1 LEU A 4 -11.377 -18.118 -6.406 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.642 -18.650 -4.685 1.00 0.00 C ATOM 0 H LEU A 4 -9.347 -14.488 -6.901 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.845 -15.642 -6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.249 -16.369 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.597 -15.946 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.442 -17.555 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.824 -19.097 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.155 -17.408 -6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.645 -18.190 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.112 -19.622 -4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.867 -18.735 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.195 -18.316 -3.749 1.00 0.00 H new ATOM 68 N LYS A 5 -12.454 -15.063 -3.882 1.00 0.00 N ATOM 69 CA LYS A 5 -13.060 -14.444 -2.709 1.00 0.00 C ATOM 70 C LYS A 5 -12.042 -14.296 -1.584 1.00 0.00 C ATOM 71 O LYS A 5 -11.889 -13.219 -1.009 1.00 0.00 O ATOM 72 CB LYS A 5 -14.253 -15.274 -2.229 1.00 0.00 C ATOM 73 CG LYS A 5 -15.395 -14.437 -1.678 1.00 0.00 C ATOM 74 CD LYS A 5 -16.465 -14.194 -2.730 1.00 0.00 C ATOM 75 CE LYS A 5 -15.979 -13.244 -3.812 1.00 0.00 C ATOM 76 NZ LYS A 5 -16.936 -13.160 -4.949 1.00 0.00 N ATOM 0 H LYS A 5 -12.766 -16.017 -4.065 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.407 -13.450 -2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.623 -15.877 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.916 -15.966 -1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.836 -14.942 -0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.009 -13.482 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.755 -15.143 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.356 -13.782 -2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.835 -12.251 -3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.008 -13.578 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.567 -12.502 -5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.055 -14.102 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.855 -12.817 -4.604 1.00 0.00 H new ATOM 90 N ALA A 6 -11.348 -15.387 -1.273 1.00 0.00 N ATOM 91 CA ALA A 6 -10.345 -15.378 -0.216 1.00 0.00 C ATOM 92 C ALA A 6 -9.121 -14.566 -0.627 1.00 0.00 C ATOM 93 O ALA A 6 -8.488 -13.916 0.204 1.00 0.00 O ATOM 94 CB ALA A 6 -9.940 -16.801 0.138 1.00 0.00 C ATOM 0 H ALA A 6 -11.463 -16.287 -1.738 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.784 -14.906 0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.190 -16.780 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.815 -17.353 0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.525 -17.291 -0.743 1.00 0.00 H new ATOM 100 N ASN A 7 -8.795 -14.608 -1.914 1.00 0.00 N ATOM 101 CA ASN A 7 -7.646 -13.875 -2.436 1.00 0.00 C ATOM 102 C ASN A 7 -7.938 -12.380 -2.501 1.00 0.00 C ATOM 103 O ASN A 7 -7.104 -11.557 -2.125 1.00 0.00 O ATOM 104 CB ASN A 7 -7.271 -14.395 -3.825 1.00 0.00 C ATOM 105 CG ASN A 7 -6.491 -15.693 -3.767 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.344 -15.762 -4.208 1.00 0.00 O ATOM 107 ND2 ASN A 7 -7.111 -16.731 -3.218 1.00 0.00 N ATOM 0 H ASN A 7 -9.309 -15.141 -2.615 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.807 -14.033 -1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.178 -14.546 -4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.678 -13.642 -4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.636 -17.631 -3.149 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.063 -16.628 -2.865 1.00 0.00 H new ATOM 114 N LYS A 8 -9.129 -12.034 -2.980 1.00 0.00 N ATOM 115 CA LYS A 8 -9.532 -10.638 -3.094 1.00 0.00 C ATOM 116 C LYS A 8 -9.834 -10.045 -1.721 1.00 0.00 C ATOM 117 O LYS A 8 -9.504 -8.891 -1.446 1.00 0.00 O ATOM 118 CB LYS A 8 -10.759 -10.511 -3.997 1.00 0.00 C ATOM 119 CG LYS A 8 -11.014 -9.093 -4.483 1.00 0.00 C ATOM 120 CD LYS A 8 -12.486 -8.863 -4.782 1.00 0.00 C ATOM 121 CE LYS A 8 -12.781 -8.993 -6.267 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.119 -8.442 -6.618 1.00 0.00 N ATOM 0 H LYS A 8 -9.832 -12.702 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.705 -10.083 -3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.634 -11.165 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.637 -10.864 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.680 -8.383 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.425 -8.904 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.088 -9.582 -4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.777 -7.871 -4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.013 -8.471 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.734 -10.043 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.282 -8.550 -7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.855 -8.957 -6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.156 -7.434 -6.366 1.00 0.00 H new ATOM 136 N ASP A 9 -10.463 -10.841 -0.864 1.00 0.00 N ATOM 137 CA ASP A 9 -10.809 -10.395 0.481 1.00 0.00 C ATOM 138 C ASP A 9 -9.560 -10.002 1.264 1.00 0.00 C ATOM 139 O ASP A 9 -9.607 -9.128 2.129 1.00 0.00 O ATOM 140 CB ASP A 9 -11.566 -11.495 1.227 1.00 0.00 C ATOM 141 CG ASP A 9 -13.044 -11.512 0.888 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.382 -11.340 -0.303 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.863 -11.697 1.812 1.00 0.00 O ATOM 0 H ASP A 9 -10.744 -11.798 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.450 -9.518 0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.129 -12.463 0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.444 -11.352 2.301 1.00 0.00 H new ATOM 148 N LEU A 10 -8.443 -10.654 0.954 1.00 0.00 N ATOM 149 CA LEU A 10 -7.184 -10.373 1.627 1.00 0.00 C ATOM 150 C LEU A 10 -6.661 -8.990 1.250 1.00 0.00 C ATOM 151 O LEU A 10 -6.234 -8.221 2.110 1.00 0.00 O ATOM 152 CB LEU A 10 -6.149 -11.443 1.268 1.00 0.00 C ATOM 153 CG LEU A 10 -5.764 -12.379 2.415 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.688 -13.356 1.967 1.00 0.00 C ATOM 155 CD2 LEU A 10 -5.293 -11.579 3.620 1.00 0.00 C ATOM 0 H LEU A 10 -8.387 -11.381 0.240 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.359 -10.390 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.538 -12.042 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.248 -10.949 0.904 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.646 -12.950 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.426 -14.014 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.062 -13.952 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.804 -12.803 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.023 -12.261 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.424 -10.982 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.094 -10.920 3.955 1.00 0.00 H new ATOM 167 N ILE A 11 -6.701 -8.680 -0.043 1.00 0.00 N ATOM 168 CA ILE A 11 -6.233 -7.390 -0.533 1.00 0.00 C ATOM 169 C ILE A 11 -7.149 -6.262 -0.070 1.00 0.00 C ATOM 170 O ILE A 11 -6.693 -5.153 0.206 1.00 0.00 O ATOM 171 CB ILE A 11 -6.146 -7.369 -2.072 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.360 -8.580 -2.577 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.502 -6.076 -2.550 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.231 -8.632 -4.085 1.00 0.00 C ATOM 0 H ILE A 11 -7.053 -9.305 -0.769 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.236 -7.238 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.156 -7.420 -2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.363 -8.566 -2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.849 -9.490 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.448 -6.077 -3.639 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.099 -5.227 -2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.496 -5.996 -2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.662 -9.517 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.223 -8.678 -4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.715 -7.739 -4.437 1.00 0.00 H new ATOM 186 N SER A 12 -8.443 -6.554 0.013 1.00 0.00 N ATOM 187 CA SER A 12 -9.423 -5.564 0.443 1.00 0.00 C ATOM 188 C SER A 12 -9.092 -5.040 1.837 1.00 0.00 C ATOM 189 O SER A 12 -9.159 -3.838 2.093 1.00 0.00 O ATOM 190 CB SER A 12 -10.829 -6.166 0.432 1.00 0.00 C ATOM 191 OG SER A 12 -11.439 -6.015 -0.838 1.00 0.00 O ATOM 0 H SER A 12 -8.837 -7.468 -0.212 1.00 0.00 H new ATOM 0 HA SER A 12 -9.389 -4.729 -0.257 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.777 -7.224 0.690 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.441 -5.682 1.193 1.00 0.00 H new ATOM 0 HG SER A 12 -12.336 -6.409 -0.819 1.00 0.00 H new ATOM 197 N ALA A 13 -8.731 -5.952 2.735 1.00 0.00 N ATOM 198 CA ALA A 13 -8.385 -5.581 4.101 1.00 0.00 C ATOM 199 C ALA A 13 -7.199 -4.625 4.121 1.00 0.00 C ATOM 200 O ALA A 13 -7.215 -3.611 4.818 1.00 0.00 O ATOM 201 CB ALA A 13 -8.081 -6.822 4.925 1.00 0.00 C ATOM 0 H ALA A 13 -8.671 -6.951 2.541 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.240 -5.069 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.824 -6.529 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.957 -7.470 4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.243 -7.358 4.480 1.00 0.00 H new ATOM 207 N GLY A 14 -6.169 -4.955 3.347 1.00 0.00 N ATOM 208 CA GLY A 14 -4.988 -4.116 3.286 1.00 0.00 C ATOM 209 C GLY A 14 -5.259 -2.785 2.614 1.00 0.00 C ATOM 210 O GLY A 14 -4.678 -1.764 2.983 1.00 0.00 O ATOM 0 H GLY A 14 -6.132 -5.789 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.617 -3.941 4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.201 -4.640 2.744 1.00 0.00 H new ATOM 214 N LEU A 15 -6.146 -2.795 1.622 1.00 0.00 N ATOM 215 CA LEU A 15 -6.494 -1.580 0.894 1.00 0.00 C ATOM 216 C LEU A 15 -7.026 -0.508 1.842 1.00 0.00 C ATOM 217 O LEU A 15 -6.629 0.654 1.767 1.00 0.00 O ATOM 218 CB LEU A 15 -7.533 -1.889 -0.187 1.00 0.00 C ATOM 219 CG LEU A 15 -7.138 -1.468 -1.604 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.229 -1.842 -2.594 1.00 0.00 C ATOM 221 CD2 LEU A 15 -6.858 0.025 -1.656 1.00 0.00 C ATOM 0 H LEU A 15 -6.636 -3.631 1.305 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.590 -1.199 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.730 -2.961 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.467 -1.393 0.076 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.227 -1.999 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.931 -1.535 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.383 -2.921 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.156 -1.338 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.578 0.308 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.752 0.573 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.042 0.266 -0.975 1.00 0.00 H new ATOM 233 N LYS A 16 -7.929 -0.909 2.731 1.00 0.00 N ATOM 234 CA LYS A 16 -8.517 0.016 3.693 1.00 0.00 C ATOM 235 C LYS A 16 -7.485 0.454 4.728 1.00 0.00 C ATOM 236 O LYS A 16 -7.546 1.570 5.245 1.00 0.00 O ATOM 237 CB LYS A 16 -9.713 -0.632 4.391 1.00 0.00 C ATOM 238 CG LYS A 16 -9.376 -1.941 5.087 1.00 0.00 C ATOM 239 CD LYS A 16 -10.419 -2.301 6.133 1.00 0.00 C ATOM 240 CE LYS A 16 -9.964 -1.911 7.529 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.378 -2.915 8.549 1.00 0.00 N ATOM 0 H LYS A 16 -8.269 -1.868 2.805 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.857 0.898 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.117 0.066 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.498 -0.812 3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.309 -2.740 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.397 -1.861 5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.358 -1.798 5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.615 -3.373 6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.879 -1.807 7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.380 -0.938 7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.049 -2.612 9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.415 -2.996 8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.960 -3.839 8.317 1.00 0.00 H new ATOM 255 N GLU A 17 -6.539 -0.431 5.026 1.00 0.00 N ATOM 256 CA GLU A 17 -5.495 -0.134 5.999 1.00 0.00 C ATOM 257 C GLU A 17 -4.676 1.078 5.568 1.00 0.00 C ATOM 258 O GLU A 17 -4.297 1.910 6.393 1.00 0.00 O ATOM 259 CB GLU A 17 -4.578 -1.346 6.179 1.00 0.00 C ATOM 260 CG GLU A 17 -4.077 -1.522 7.603 1.00 0.00 C ATOM 261 CD GLU A 17 -3.670 -2.952 7.905 1.00 0.00 C ATOM 262 OE1 GLU A 17 -4.487 -3.865 7.663 1.00 0.00 O ATOM 263 OE2 GLU A 17 -2.535 -3.158 8.383 1.00 0.00 O ATOM 0 H GLU A 17 -6.474 -1.359 4.608 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.975 0.096 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.115 -2.245 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.722 -1.246 5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.225 -0.863 7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.857 -1.215 8.299 1.00 0.00 H new ATOM 270 N PHE A 18 -4.407 1.173 4.270 1.00 0.00 N ATOM 271 CA PHE A 18 -3.635 2.285 3.729 1.00 0.00 C ATOM 272 C PHE A 18 -4.457 3.569 3.727 1.00 0.00 C ATOM 273 O PHE A 18 -3.933 4.654 3.976 1.00 0.00 O ATOM 274 CB PHE A 18 -3.164 1.965 2.309 1.00 0.00 C ATOM 275 CG PHE A 18 -1.785 2.473 2.004 1.00 0.00 C ATOM 276 CD1 PHE A 18 -1.592 3.778 1.577 1.00 0.00 C ATOM 277 CD2 PHE A 18 -0.680 1.648 2.145 1.00 0.00 C ATOM 278 CE1 PHE A 18 -0.324 4.250 1.297 1.00 0.00 C ATOM 279 CE2 PHE A 18 0.590 2.115 1.866 1.00 0.00 C ATOM 280 CZ PHE A 18 0.769 3.417 1.440 1.00 0.00 C ATOM 0 H PHE A 18 -4.712 0.493 3.574 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.764 2.433 4.368 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.185 0.885 2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.867 2.396 1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.443 4.433 1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.813 0.629 2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.187 5.269 0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.443 1.462 1.981 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.761 3.783 1.219 1.00 0.00 H new ATOM 290 N SER A 19 -5.749 3.437 3.445 1.00 0.00 N ATOM 291 CA SER A 19 -6.646 4.588 3.410 1.00 0.00 C ATOM 292 C SER A 19 -6.814 5.188 4.803 1.00 0.00 C ATOM 293 O SER A 19 -6.653 6.394 4.993 1.00 0.00 O ATOM 294 CB SER A 19 -8.009 4.181 2.849 1.00 0.00 C ATOM 295 OG SER A 19 -8.680 5.293 2.282 1.00 0.00 O ATOM 0 H SER A 19 -6.199 2.545 3.237 1.00 0.00 H new ATOM 0 HA SER A 19 -6.204 5.343 2.760 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.878 3.407 2.093 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.619 3.751 3.643 1.00 0.00 H new ATOM 0 HG SER A 19 -9.548 5.006 1.929 1.00 0.00 H new ATOM 301 N VAL A 20 -7.140 4.340 5.772 1.00 0.00 N ATOM 302 CA VAL A 20 -7.331 4.786 7.147 1.00 0.00 C ATOM 303 C VAL A 20 -6.044 5.373 7.715 1.00 0.00 C ATOM 304 O VAL A 20 -6.052 6.437 8.333 1.00 0.00 O ATOM 305 CB VAL A 20 -7.810 3.631 8.050 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.706 2.605 8.268 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.319 4.168 9.379 1.00 0.00 C ATOM 0 H VAL A 20 -7.278 3.339 5.631 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.099 5.559 7.130 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.633 3.128 7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.075 1.804 8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.400 2.190 7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.851 3.086 8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.653 3.339 10.003 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.517 4.704 9.886 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.153 4.847 9.202 1.00 0.00 H new ATOM 317 N LEU A 21 -4.941 4.667 7.498 1.00 0.00 N ATOM 318 CA LEU A 21 -3.639 5.109 7.986 1.00 0.00 C ATOM 319 C LEU A 21 -3.288 6.486 7.433 1.00 0.00 C ATOM 320 O LEU A 21 -2.674 7.303 8.118 1.00 0.00 O ATOM 321 CB LEU A 21 -2.558 4.099 7.598 1.00 0.00 C ATOM 322 CG LEU A 21 -1.252 4.212 8.388 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.363 3.467 9.709 1.00 0.00 C ATOM 324 CD2 LEU A 21 -0.087 3.679 7.569 1.00 0.00 C ATOM 0 H LEU A 21 -4.922 3.785 6.987 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.690 5.178 9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.958 3.094 7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.335 4.218 6.538 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.068 5.265 8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.426 3.558 10.258 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.173 3.894 10.301 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.570 2.414 9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.834 3.767 8.146 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.263 2.632 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.005 4.256 6.649 1.00 0.00 H new ATOM 336 N LEU A 22 -3.681 6.737 6.188 1.00 0.00 N ATOM 337 CA LEU A 22 -3.407 8.015 5.542 1.00 0.00 C ATOM 338 C LEU A 22 -4.169 9.145 6.228 1.00 0.00 C ATOM 339 O LEU A 22 -3.686 10.274 6.308 1.00 0.00 O ATOM 340 CB LEU A 22 -3.787 7.954 4.062 1.00 0.00 C ATOM 341 CG LEU A 22 -2.757 7.275 3.157 1.00 0.00 C ATOM 342 CD1 LEU A 22 -3.347 7.013 1.780 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.501 8.125 3.049 1.00 0.00 C ATOM 0 H LEU A 22 -4.190 6.072 5.607 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.339 8.216 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.736 7.426 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.951 8.970 3.702 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.486 6.317 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.600 6.530 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.217 6.363 1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.647 7.958 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.779 7.627 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.755 9.098 2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.067 8.260 4.040 1.00 0.00 H new ATOM 355 N ASN A 23 -5.363 8.833 6.722 1.00 0.00 N ATOM 356 CA ASN A 23 -6.192 9.822 7.401 1.00 0.00 C ATOM 357 C ASN A 23 -5.570 10.235 8.731 1.00 0.00 C ATOM 358 O ASN A 23 -5.772 11.355 9.201 1.00 0.00 O ATOM 359 CB ASN A 23 -7.598 9.266 7.634 1.00 0.00 C ATOM 360 CG ASN A 23 -8.493 9.429 6.421 1.00 0.00 C ATOM 361 OD1 ASN A 23 -8.142 9.017 5.316 1.00 0.00 O ATOM 362 ND2 ASN A 23 -9.657 10.035 6.623 1.00 0.00 N ATOM 0 H ASN A 23 -5.778 7.903 6.665 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.257 10.703 6.763 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.530 8.209 7.892 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.050 9.774 8.486 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.301 10.175 5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.907 10.361 7.557 1.00 0.00 H new ATOM 369 N GLN A 24 -4.811 9.325 9.333 1.00 0.00 N ATOM 370 CA GLN A 24 -4.159 9.595 10.609 1.00 0.00 C ATOM 371 C GLN A 24 -3.170 10.751 10.487 1.00 0.00 C ATOM 372 O GLN A 24 -2.879 11.438 11.466 1.00 0.00 O ATOM 373 CB GLN A 24 -3.438 8.344 11.113 1.00 0.00 C ATOM 374 CG GLN A 24 -4.380 7.220 11.514 1.00 0.00 C ATOM 375 CD GLN A 24 -3.908 6.478 12.749 1.00 0.00 C ATOM 376 OE1 GLN A 24 -3.985 6.993 13.865 1.00 0.00 O ATOM 377 NE2 GLN A 24 -3.414 5.260 12.556 1.00 0.00 N ATOM 0 H GLN A 24 -4.632 8.394 8.957 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.930 9.877 11.326 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.766 7.983 10.334 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.819 8.611 11.970 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.373 7.631 11.698 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.475 6.517 10.686 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.369 4.871 11.614 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.080 4.713 13.350 1.00 0.00 H new ATOM 386 N GLN A 25 -2.655 10.961 9.278 1.00 0.00 N ATOM 387 CA GLN A 25 -1.698 12.033 9.030 1.00 0.00 C ATOM 388 C GLN A 25 -2.273 13.386 9.439 1.00 0.00 C ATOM 389 O GLN A 25 -3.462 13.646 9.261 1.00 0.00 O ATOM 390 CB GLN A 25 -1.304 12.061 7.552 1.00 0.00 C ATOM 391 CG GLN A 25 -0.164 11.115 7.208 1.00 0.00 C ATOM 392 CD GLN A 25 1.146 11.522 7.852 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.463 12.708 7.948 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.916 10.537 8.299 1.00 0.00 N ATOM 0 H GLN A 25 -2.885 10.403 8.456 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.811 11.839 9.634 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.174 11.803 6.948 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.017 13.077 7.280 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.424 10.106 7.529 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.038 11.082 6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.614 9.568 8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.810 10.749 8.743 1.00 0.00 H new ATOM 403 N VAL A 26 -1.419 14.242 9.990 1.00 0.00 N ATOM 404 CA VAL A 26 -1.841 15.568 10.427 1.00 0.00 C ATOM 405 C VAL A 26 -1.579 16.613 9.348 1.00 0.00 C ATOM 406 O VAL A 26 -2.282 17.620 9.260 1.00 0.00 O ATOM 407 CB VAL A 26 -1.116 15.991 11.719 1.00 0.00 C ATOM 408 CG1 VAL A 26 -1.718 17.273 12.275 1.00 0.00 C ATOM 409 CG2 VAL A 26 -1.171 14.876 12.751 1.00 0.00 C ATOM 0 H VAL A 26 -0.431 14.041 10.145 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.912 15.510 10.621 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.070 16.183 11.481 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.193 17.556 13.187 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.620 18.070 11.538 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.773 17.113 12.498 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.654 15.193 13.657 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.211 14.650 12.987 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.688 13.985 12.350 1.00 0.00 H new ATOM 419 N PHE A 27 -0.561 16.369 8.527 1.00 0.00 N ATOM 420 CA PHE A 27 -0.204 17.289 7.453 1.00 0.00 C ATOM 421 C PHE A 27 0.296 18.615 8.017 1.00 0.00 C ATOM 422 O PHE A 27 0.542 18.735 9.216 1.00 0.00 O ATOM 423 CB PHE A 27 -1.405 17.532 6.535 1.00 0.00 C ATOM 424 CG PHE A 27 -2.106 16.270 6.116 1.00 0.00 C ATOM 425 CD1 PHE A 27 -1.483 15.366 5.271 1.00 0.00 C ATOM 426 CD2 PHE A 27 -3.385 15.989 6.569 1.00 0.00 C ATOM 427 CE1 PHE A 27 -2.124 14.204 4.884 1.00 0.00 C ATOM 428 CE2 PHE A 27 -4.031 14.829 6.185 1.00 0.00 C ATOM 429 CZ PHE A 27 -3.400 13.935 5.342 1.00 0.00 C ATOM 0 H PHE A 27 0.031 15.541 8.586 1.00 0.00 H new ATOM 0 HA PHE A 27 0.599 16.834 6.873 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.117 18.181 7.045 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.070 18.064 5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.486 15.571 4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.882 16.684 7.229 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.628 13.507 4.224 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.028 14.622 6.544 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.903 13.028 5.041 1.00 0.00 H new ATOM 439 N ASN A 28 0.447 19.608 7.141 1.00 0.00 N ATOM 440 CA ASN A 28 0.920 20.933 7.540 1.00 0.00 C ATOM 441 C ASN A 28 2.111 20.835 8.491 1.00 0.00 C ATOM 442 O ASN A 28 2.303 21.694 9.352 1.00 0.00 O ATOM 443 CB ASN A 28 -0.213 21.730 8.193 1.00 0.00 C ATOM 444 CG ASN A 28 -0.673 21.126 9.505 1.00 0.00 C ATOM 445 OD1 ASN A 28 -1.516 20.229 9.527 1.00 0.00 O ATOM 446 ND2 ASN A 28 -0.120 21.616 10.608 1.00 0.00 N ATOM 0 H ASN A 28 0.247 19.519 6.145 1.00 0.00 H new ATOM 0 HA ASN A 28 1.248 21.454 6.641 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.121 22.753 8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.058 21.782 7.506 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.390 21.249 11.520 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.575 22.360 10.543 1.00 0.00 H new ATOM 453 N ASP A 29 2.906 19.782 8.330 1.00 0.00 N ATOM 454 CA ASP A 29 4.076 19.570 9.173 1.00 0.00 C ATOM 455 C ASP A 29 5.201 18.921 8.408 1.00 0.00 C ATOM 456 O ASP A 29 5.844 17.995 8.904 1.00 0.00 O ATOM 457 CB ASP A 29 3.705 18.732 10.398 1.00 0.00 C ATOM 458 CG ASP A 29 3.378 19.589 11.606 1.00 0.00 C ATOM 459 OD1 ASP A 29 4.228 20.417 11.995 1.00 0.00 O ATOM 460 OD2 ASP A 29 2.271 19.430 12.164 1.00 0.00 O ATOM 0 H ASP A 29 2.761 19.062 7.623 1.00 0.00 H new ATOM 0 HA ASP A 29 4.426 20.546 9.507 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.847 18.103 10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.531 18.064 10.642 1.00 0.00 H new ATOM 465 N PRO A 30 5.503 19.419 7.201 1.00 0.00 N ATOM 466 CA PRO A 30 6.599 18.874 6.447 1.00 0.00 C ATOM 467 C PRO A 30 7.910 19.452 6.948 1.00 0.00 C ATOM 468 O PRO A 30 8.127 20.663 6.926 1.00 0.00 O ATOM 469 CB PRO A 30 6.305 19.350 5.026 1.00 0.00 C ATOM 470 CG PRO A 30 5.602 20.654 5.211 1.00 0.00 C ATOM 471 CD PRO A 30 4.851 20.551 6.515 1.00 0.00 C ATOM 0 HA PRO A 30 6.691 17.791 6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.222 19.471 4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.682 18.635 4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.314 21.479 5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.919 20.848 4.384 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.928 21.470 7.096 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.789 20.364 6.353 1.00 0.00 H new ATOM 479 N LEU A 31 8.769 18.568 7.396 1.00 0.00 N ATOM 480 CA LEU A 31 10.077 18.950 7.915 1.00 0.00 C ATOM 481 C LEU A 31 11.185 18.154 7.231 1.00 0.00 C ATOM 482 O LEU A 31 12.215 18.708 6.849 1.00 0.00 O ATOM 483 CB LEU A 31 10.133 18.729 9.428 1.00 0.00 C ATOM 484 CG LEU A 31 10.888 19.806 10.210 1.00 0.00 C ATOM 485 CD1 LEU A 31 12.306 19.953 9.683 1.00 0.00 C ATOM 486 CD2 LEU A 31 10.148 21.133 10.137 1.00 0.00 C ATOM 0 H LEU A 31 8.590 17.564 7.415 1.00 0.00 H new ATOM 0 HA LEU A 31 10.230 20.008 7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.114 18.671 9.810 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.601 17.764 9.622 1.00 0.00 H new ATOM 0 HG LEU A 31 10.942 19.500 11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.827 20.723 10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.833 19.005 9.788 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.276 20.236 8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.698 21.888 10.698 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.063 21.445 9.096 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.152 21.018 10.564 1.00 0.00 H new ATOM 498 N VAL A 32 10.964 16.852 7.080 1.00 0.00 N ATOM 499 CA VAL A 32 11.942 15.979 6.441 1.00 0.00 C ATOM 500 C VAL A 32 11.966 16.196 4.932 1.00 0.00 C ATOM 501 O VAL A 32 11.017 16.729 4.357 1.00 0.00 O ATOM 502 CB VAL A 32 11.646 14.495 6.731 1.00 0.00 C ATOM 503 CG1 VAL A 32 12.818 13.623 6.306 1.00 0.00 C ATOM 504 CG2 VAL A 32 11.329 14.289 8.205 1.00 0.00 C ATOM 0 H VAL A 32 10.116 16.378 7.392 1.00 0.00 H new ATOM 0 HA VAL A 32 12.916 16.235 6.859 1.00 0.00 H new ATOM 0 HB VAL A 32 10.772 14.200 6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.590 12.578 6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.994 13.746 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.711 13.919 6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.123 13.235 8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.181 14.603 8.808 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.455 14.882 8.476 1.00 0.00 H new ATOM 514 N SER A 33 13.057 15.781 4.296 1.00 0.00 N ATOM 515 CA SER A 33 13.204 15.932 2.852 1.00 0.00 C ATOM 516 C SER A 33 12.068 15.234 2.111 1.00 0.00 C ATOM 517 O SER A 33 11.478 14.279 2.617 1.00 0.00 O ATOM 518 CB SER A 33 14.550 15.366 2.395 1.00 0.00 C ATOM 519 OG SER A 33 15.604 16.276 2.658 1.00 0.00 O ATOM 0 H SER A 33 13.852 15.338 4.757 1.00 0.00 H new ATOM 0 HA SER A 33 13.165 16.996 2.618 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.744 14.423 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.512 15.148 1.328 1.00 0.00 H new ATOM 0 HG SER A 33 16.453 15.889 2.358 1.00 0.00 H new ATOM 525 N GLU A 34 11.766 15.718 0.911 1.00 0.00 N ATOM 526 CA GLU A 34 10.700 15.141 0.100 1.00 0.00 C ATOM 527 C GLU A 34 11.036 13.709 -0.302 1.00 0.00 C ATOM 528 O GLU A 34 10.147 12.869 -0.449 1.00 0.00 O ATOM 529 CB GLU A 34 10.461 15.992 -1.149 1.00 0.00 C ATOM 530 CG GLU A 34 11.705 16.185 -2.001 1.00 0.00 C ATOM 531 CD GLU A 34 12.408 17.498 -1.716 1.00 0.00 C ATOM 532 OE1 GLU A 34 11.834 18.561 -2.039 1.00 0.00 O ATOM 533 OE2 GLU A 34 13.532 17.465 -1.172 1.00 0.00 O ATOM 0 H GLU A 34 12.244 16.508 0.478 1.00 0.00 H new ATOM 0 HA GLU A 34 9.790 15.126 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.685 15.524 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.083 16.969 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.395 15.361 -1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.429 16.146 -3.055 1.00 0.00 H new ATOM 540 N GLU A 35 12.324 13.435 -0.480 1.00 0.00 N ATOM 541 CA GLU A 35 12.777 12.105 -0.864 1.00 0.00 C ATOM 542 C GLU A 35 12.452 11.086 0.223 1.00 0.00 C ATOM 543 O GLU A 35 12.157 9.926 -0.066 1.00 0.00 O ATOM 544 CB GLU A 35 14.282 12.113 -1.137 1.00 0.00 C ATOM 545 CG GLU A 35 14.666 12.866 -2.402 1.00 0.00 C ATOM 546 CD GLU A 35 16.028 12.460 -2.930 1.00 0.00 C ATOM 547 OE1 GLU A 35 17.004 12.507 -2.152 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.119 12.096 -4.122 1.00 0.00 O ATOM 0 H GLU A 35 13.073 14.118 -0.364 1.00 0.00 H new ATOM 0 HA GLU A 35 12.252 11.819 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.795 12.562 -0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.634 11.085 -1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.914 12.686 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.664 13.937 -2.198 1.00 0.00 H new ATOM 555 N ASP A 36 12.508 11.528 1.475 1.00 0.00 N ATOM 556 CA ASP A 36 12.220 10.656 2.608 1.00 0.00 C ATOM 557 C ASP A 36 10.799 10.116 2.538 1.00 0.00 C ATOM 558 O ASP A 36 10.498 9.045 3.065 1.00 0.00 O ATOM 559 CB ASP A 36 12.433 11.405 3.926 1.00 0.00 C ATOM 560 CG ASP A 36 13.840 11.238 4.464 1.00 0.00 C ATOM 561 OD1 ASP A 36 14.154 10.141 4.973 1.00 0.00 O ATOM 562 OD2 ASP A 36 14.627 12.203 4.378 1.00 0.00 O ATOM 0 H ASP A 36 12.750 12.485 1.731 1.00 0.00 H new ATOM 0 HA ASP A 36 12.908 9.812 2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.228 12.465 3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.719 11.044 4.666 1.00 0.00 H new ATOM 567 N MET A 37 9.932 10.869 1.883 1.00 0.00 N ATOM 568 CA MET A 37 8.534 10.481 1.733 1.00 0.00 C ATOM 569 C MET A 37 8.391 9.337 0.734 1.00 0.00 C ATOM 570 O MET A 37 7.492 8.505 0.853 1.00 0.00 O ATOM 571 CB MET A 37 7.697 11.679 1.278 1.00 0.00 C ATOM 572 CG MET A 37 7.447 12.698 2.377 1.00 0.00 C ATOM 573 SD MET A 37 7.437 14.393 1.763 1.00 0.00 S ATOM 574 CE MET A 37 8.305 15.236 3.084 1.00 0.00 C ATOM 0 H MET A 37 10.170 11.758 1.443 1.00 0.00 H new ATOM 0 HA MET A 37 8.171 10.140 2.703 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.203 12.170 0.447 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.739 11.320 0.902 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.491 12.483 2.856 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.217 12.597 3.142 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.811 16.115 2.684 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.592 15.544 3.849 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.041 14.563 3.524 1.00 0.00 H new ATOM 584 N VAL A 38 9.281 9.302 -0.251 1.00 0.00 N ATOM 585 CA VAL A 38 9.252 8.260 -1.270 1.00 0.00 C ATOM 586 C VAL A 38 9.746 6.929 -0.713 1.00 0.00 C ATOM 587 O VAL A 38 9.180 5.875 -1.001 1.00 0.00 O ATOM 588 CB VAL A 38 10.111 8.643 -2.490 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.910 7.645 -3.619 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.784 10.055 -2.950 1.00 0.00 C ATOM 0 H VAL A 38 10.032 9.983 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 38 8.213 8.156 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 38 11.160 8.616 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.525 7.932 -4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.200 6.650 -3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.861 7.636 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.400 10.309 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.731 10.113 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.986 10.757 -2.141 1.00 0.00 H new ATOM 600 N THR A 39 10.809 6.985 0.083 1.00 0.00 N ATOM 601 CA THR A 39 11.386 5.784 0.678 1.00 0.00 C ATOM 602 C THR A 39 10.452 5.178 1.723 1.00 0.00 C ATOM 603 O THR A 39 10.204 3.973 1.721 1.00 0.00 O ATOM 604 CB THR A 39 12.741 6.104 1.312 1.00 0.00 C ATOM 605 OG1 THR A 39 13.312 4.941 1.885 1.00 0.00 O ATOM 606 CG2 THR A 39 12.662 7.157 2.396 1.00 0.00 C ATOM 0 H THR A 39 11.289 7.850 0.331 1.00 0.00 H new ATOM 0 HA THR A 39 11.526 5.052 -0.118 1.00 0.00 H new ATOM 0 HB THR A 39 13.357 6.489 0.499 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.179 5.165 2.284 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.657 7.336 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.270 8.083 1.976 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.002 6.812 3.191 1.00 0.00 H new ATOM 614 N VAL A 40 9.942 6.020 2.618 1.00 0.00 N ATOM 615 CA VAL A 40 9.042 5.560 3.670 1.00 0.00 C ATOM 616 C VAL A 40 7.817 4.863 3.085 1.00 0.00 C ATOM 617 O VAL A 40 7.434 3.780 3.527 1.00 0.00 O ATOM 618 CB VAL A 40 8.595 6.727 4.579 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.540 7.593 3.903 1.00 0.00 C ATOM 620 CG2 VAL A 40 8.087 6.200 5.913 1.00 0.00 C ATOM 0 H VAL A 40 10.136 7.021 2.635 1.00 0.00 H new ATOM 0 HA VAL A 40 9.598 4.842 4.274 1.00 0.00 H new ATOM 0 HB VAL A 40 9.466 7.356 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.250 8.403 4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.948 8.011 2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.666 6.985 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.777 7.036 6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.237 5.539 5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.883 5.647 6.413 1.00 0.00 H new ATOM 630 N VAL A 41 7.209 5.494 2.087 1.00 0.00 N ATOM 631 CA VAL A 41 6.029 4.937 1.438 1.00 0.00 C ATOM 632 C VAL A 41 6.382 3.682 0.646 1.00 0.00 C ATOM 633 O VAL A 41 5.610 2.724 0.605 1.00 0.00 O ATOM 634 CB VAL A 41 5.368 5.961 0.495 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.085 5.397 -0.098 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.092 7.264 1.232 1.00 0.00 C ATOM 0 H VAL A 41 7.514 6.391 1.710 1.00 0.00 H new ATOM 0 HA VAL A 41 5.324 4.679 2.228 1.00 0.00 H new ATOM 0 HB VAL A 41 6.058 6.168 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.635 6.136 -0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.312 4.493 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.388 5.157 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.625 7.975 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.423 7.073 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.030 7.678 1.602 1.00 0.00 H new ATOM 646 N GLU A 42 7.553 3.696 0.017 1.00 0.00 N ATOM 647 CA GLU A 42 8.009 2.558 -0.773 1.00 0.00 C ATOM 648 C GLU A 42 8.387 1.388 0.129 1.00 0.00 C ATOM 649 O GLU A 42 8.190 0.226 -0.228 1.00 0.00 O ATOM 650 CB GLU A 42 9.205 2.957 -1.639 1.00 0.00 C ATOM 651 CG GLU A 42 8.814 3.664 -2.927 1.00 0.00 C ATOM 652 CD GLU A 42 8.535 2.697 -4.061 1.00 0.00 C ATOM 653 OE1 GLU A 42 9.503 2.123 -4.603 1.00 0.00 O ATOM 654 OE2 GLU A 42 7.348 2.514 -4.406 1.00 0.00 O ATOM 0 H GLU A 42 8.203 4.482 0.039 1.00 0.00 H new ATOM 0 HA GLU A 42 7.190 2.245 -1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.860 3.609 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.779 2.064 -1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.928 4.274 -2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.614 4.343 -3.222 1.00 0.00 H new ATOM 661 N ASP A 43 8.933 1.702 1.299 1.00 0.00 N ATOM 662 CA ASP A 43 9.340 0.677 2.253 1.00 0.00 C ATOM 663 C ASP A 43 8.141 0.159 3.041 1.00 0.00 C ATOM 664 O ASP A 43 8.124 -0.991 3.480 1.00 0.00 O ATOM 665 CB ASP A 43 10.393 1.233 3.213 1.00 0.00 C ATOM 666 CG ASP A 43 11.272 0.147 3.799 1.00 0.00 C ATOM 667 OD1 ASP A 43 12.130 -0.385 3.065 1.00 0.00 O ATOM 668 OD2 ASP A 43 11.102 -0.173 4.995 1.00 0.00 O ATOM 0 H ASP A 43 9.104 2.658 1.609 1.00 0.00 H new ATOM 0 HA ASP A 43 9.770 -0.153 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.016 1.956 2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.896 1.770 4.021 1.00 0.00 H new ATOM 673 N TRP A 44 7.138 1.015 3.216 1.00 0.00 N ATOM 674 CA TRP A 44 5.934 0.644 3.952 1.00 0.00 C ATOM 675 C TRP A 44 5.250 -0.557 3.304 1.00 0.00 C ATOM 676 O TRP A 44 4.807 -1.476 3.993 1.00 0.00 O ATOM 677 CB TRP A 44 4.965 1.826 4.015 1.00 0.00 C ATOM 678 CG TRP A 44 5.138 2.675 5.238 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.227 2.719 6.060 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.190 3.604 5.778 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.014 3.617 7.078 1.00 0.00 N ATOM 682 CE2 TRP A 44 4.771 4.173 6.927 1.00 0.00 C ATOM 683 CE3 TRP A 44 2.906 4.009 5.401 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.112 5.126 7.700 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.254 4.954 6.170 1.00 0.00 C ATOM 686 CH2 TRP A 44 2.857 5.504 7.307 1.00 0.00 C ATOM 0 H TRP A 44 7.136 1.970 2.858 1.00 0.00 H new ATOM 0 HA TRP A 44 6.227 0.370 4.966 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.102 2.446 3.129 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.942 1.450 3.985 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.125 2.133 5.929 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.674 3.834 7.825 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.433 3.591 4.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.575 5.551 8.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.262 5.274 5.889 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.321 6.242 7.886 1.00 0.00 H new ATOM 697 N MET A 45 5.166 -0.540 1.979 1.00 0.00 N ATOM 698 CA MET A 45 4.536 -1.627 1.239 1.00 0.00 C ATOM 699 C MET A 45 5.363 -2.906 1.342 1.00 0.00 C ATOM 700 O MET A 45 4.816 -4.006 1.405 1.00 0.00 O ATOM 701 CB MET A 45 4.358 -1.238 -0.229 1.00 0.00 C ATOM 702 CG MET A 45 5.648 -0.795 -0.901 1.00 0.00 C ATOM 703 SD MET A 45 5.462 -0.573 -2.681 1.00 0.00 S ATOM 704 CE MET A 45 4.009 0.472 -2.741 1.00 0.00 C ATOM 0 H MET A 45 5.526 0.215 1.395 1.00 0.00 H new ATOM 0 HA MET A 45 3.556 -1.812 1.679 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.947 -2.088 -0.774 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.627 -0.432 -0.297 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.983 0.141 -0.455 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.425 -1.535 -0.710 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.157 -0.110 -3.093 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.798 0.859 -1.744 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.187 1.304 -3.423 1.00 0.00 H new ATOM 714 N ASN A 46 6.682 -2.751 1.357 1.00 0.00 N ATOM 715 CA ASN A 46 7.585 -3.892 1.452 1.00 0.00 C ATOM 716 C ASN A 46 7.330 -4.685 2.730 1.00 0.00 C ATOM 717 O ASN A 46 7.338 -5.916 2.720 1.00 0.00 O ATOM 718 CB ASN A 46 9.040 -3.423 1.412 1.00 0.00 C ATOM 719 CG ASN A 46 9.927 -4.355 0.609 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.809 -5.577 0.704 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.823 -3.782 -0.186 1.00 0.00 N ATOM 0 H ASN A 46 7.150 -1.846 1.305 1.00 0.00 H new ATOM 0 HA ASN A 46 7.396 -4.543 0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.085 -2.423 0.981 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.423 -3.349 2.430 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.448 -4.359 -0.749 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.886 -2.765 -0.234 1.00 0.00 H new ATOM 728 N PHE A 47 7.104 -3.971 3.827 1.00 0.00 N ATOM 729 CA PHE A 47 6.847 -4.609 5.114 1.00 0.00 C ATOM 730 C PHE A 47 5.451 -5.225 5.147 1.00 0.00 C ATOM 731 O PHE A 47 5.236 -6.266 5.768 1.00 0.00 O ATOM 732 CB PHE A 47 6.996 -3.595 6.249 1.00 0.00 C ATOM 733 CG PHE A 47 7.515 -4.193 7.524 1.00 0.00 C ATOM 734 CD1 PHE A 47 8.871 -4.425 7.695 1.00 0.00 C ATOM 735 CD2 PHE A 47 6.648 -4.525 8.553 1.00 0.00 C ATOM 736 CE1 PHE A 47 9.352 -4.976 8.869 1.00 0.00 C ATOM 737 CE2 PHE A 47 7.123 -5.076 9.728 1.00 0.00 C ATOM 738 CZ PHE A 47 8.477 -5.302 9.886 1.00 0.00 C ATOM 0 H PHE A 47 7.093 -2.951 3.852 1.00 0.00 H new ATOM 0 HA PHE A 47 7.579 -5.405 5.249 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.670 -2.801 5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.028 -3.133 6.442 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.560 -4.173 6.902 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.589 -4.351 8.435 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.411 -5.151 8.990 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.436 -5.330 10.522 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.850 -5.733 10.803 1.00 0.00 H new ATOM 748 N TYR A 48 4.507 -4.574 4.476 1.00 0.00 N ATOM 749 CA TYR A 48 3.131 -5.059 4.429 1.00 0.00 C ATOM 750 C TYR A 48 3.036 -6.350 3.622 1.00 0.00 C ATOM 751 O TYR A 48 2.391 -7.310 4.044 1.00 0.00 O ATOM 752 CB TYR A 48 2.214 -3.996 3.822 1.00 0.00 C ATOM 753 CG TYR A 48 2.042 -2.773 4.696 1.00 0.00 C ATOM 754 CD1 TYR A 48 1.855 -2.896 6.067 1.00 0.00 C ATOM 755 CD2 TYR A 48 2.067 -1.496 4.149 1.00 0.00 C ATOM 756 CE1 TYR A 48 1.698 -1.783 6.868 1.00 0.00 C ATOM 757 CE2 TYR A 48 1.911 -0.377 4.945 1.00 0.00 C ATOM 758 CZ TYR A 48 1.727 -0.526 6.303 1.00 0.00 C ATOM 759 OH TYR A 48 1.570 0.587 7.098 1.00 0.00 O ATOM 0 H TYR A 48 4.668 -3.710 3.958 1.00 0.00 H new ATOM 0 HA TYR A 48 2.810 -5.266 5.450 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.617 -3.689 2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.236 -4.437 3.633 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.832 -3.879 6.514 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.211 -1.376 3.085 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.553 -1.896 7.932 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.933 0.609 4.505 1.00 0.00 H new ATOM 0 HH TYR A 48 1.617 1.394 6.544 1.00 0.00 H new ATOM 769 N ILE A 49 3.683 -6.366 2.461 1.00 0.00 N ATOM 770 CA ILE A 49 3.671 -7.540 1.597 1.00 0.00 C ATOM 771 C ILE A 49 4.325 -8.734 2.286 1.00 0.00 C ATOM 772 O ILE A 49 3.925 -9.879 2.078 1.00 0.00 O ATOM 773 CB ILE A 49 4.399 -7.266 0.265 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.848 -5.998 -0.391 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.260 -8.456 -0.674 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.906 -5.166 -1.082 1.00 0.00 C ATOM 0 H ILE A 49 4.222 -5.580 2.097 1.00 0.00 H new ATOM 0 HA ILE A 49 2.626 -7.770 1.389 1.00 0.00 H new ATOM 0 HB ILE A 49 5.458 -7.116 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.085 -6.277 -1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.358 -5.389 0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.780 -8.245 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.696 -9.340 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.205 -8.637 -0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.444 -4.284 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.657 -4.857 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.380 -5.758 -1.865 1.00 0.00 H new ATOM 788 N ASN A 50 5.333 -8.457 3.107 1.00 0.00 N ATOM 789 CA ASN A 50 6.043 -9.508 3.827 1.00 0.00 C ATOM 790 C ASN A 50 5.095 -10.277 4.742 1.00 0.00 C ATOM 791 O ASN A 50 5.069 -11.509 4.731 1.00 0.00 O ATOM 792 CB ASN A 50 7.187 -8.911 4.647 1.00 0.00 C ATOM 793 CG ASN A 50 8.468 -8.782 3.844 1.00 0.00 C ATOM 794 OD1 ASN A 50 9.020 -7.577 3.799 1.00 0.00 O flip ATOM 795 ND2 ASN A 50 8.955 -9.758 3.272 1.00 0.00 N flip ATOM 0 H ASN A 50 5.676 -7.514 3.290 1.00 0.00 H new ATOM 0 HA ASN A 50 6.454 -10.201 3.093 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.892 -7.929 5.016 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.370 -9.537 5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.496 -10.667 3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.817 -9.657 2.737 1.00 0.00 H new ATOM 802 N TYR A 51 4.318 -9.545 5.532 1.00 0.00 N ATOM 803 CA TYR A 51 3.370 -10.158 6.453 1.00 0.00 C ATOM 804 C TYR A 51 2.235 -10.839 5.694 1.00 0.00 C ATOM 805 O TYR A 51 1.776 -11.915 6.077 1.00 0.00 O ATOM 806 CB TYR A 51 2.800 -9.107 7.408 1.00 0.00 C ATOM 807 CG TYR A 51 2.587 -9.619 8.815 1.00 0.00 C ATOM 808 CD1 TYR A 51 3.609 -9.572 9.754 1.00 0.00 C ATOM 809 CD2 TYR A 51 1.363 -10.148 9.203 1.00 0.00 C ATOM 810 CE1 TYR A 51 3.418 -10.039 11.040 1.00 0.00 C ATOM 811 CE2 TYR A 51 1.163 -10.616 10.488 1.00 0.00 C ATOM 812 CZ TYR A 51 2.194 -10.560 11.402 1.00 0.00 C ATOM 813 OH TYR A 51 2.000 -11.026 12.682 1.00 0.00 O ATOM 0 H TYR A 51 4.326 -8.525 5.553 1.00 0.00 H new ATOM 0 HA TYR A 51 3.902 -10.914 7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.476 -8.253 7.440 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.850 -8.747 7.014 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.569 -9.164 9.474 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.554 -10.194 8.489 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.223 -9.996 11.758 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.205 -11.023 10.775 1.00 0.00 H new ATOM 0 HH TYR A 51 1.083 -11.359 12.773 1.00 0.00 H new ATOM 823 N TYR A 52 1.788 -10.205 4.614 1.00 0.00 N ATOM 824 CA TYR A 52 0.708 -10.751 3.800 1.00 0.00 C ATOM 825 C TYR A 52 1.091 -12.114 3.232 1.00 0.00 C ATOM 826 O TYR A 52 0.313 -13.066 3.300 1.00 0.00 O ATOM 827 CB TYR A 52 0.361 -9.786 2.664 1.00 0.00 C ATOM 828 CG TYR A 52 -0.940 -9.045 2.874 1.00 0.00 C ATOM 829 CD1 TYR A 52 -0.986 -7.885 3.636 1.00 0.00 C ATOM 830 CD2 TYR A 52 -2.122 -9.507 2.309 1.00 0.00 C ATOM 831 CE1 TYR A 52 -2.173 -7.205 3.831 1.00 0.00 C ATOM 832 CE2 TYR A 52 -3.314 -8.831 2.498 1.00 0.00 C ATOM 833 CZ TYR A 52 -3.333 -7.682 3.260 1.00 0.00 C ATOM 834 OH TYR A 52 -4.518 -7.008 3.451 1.00 0.00 O ATOM 0 H TYR A 52 2.157 -9.314 4.283 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.167 -10.879 4.437 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.168 -9.062 2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.305 -10.344 1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.079 -7.508 4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.110 -10.408 1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.192 -6.305 4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.225 -9.201 2.051 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.270 -7.615 3.286 1.00 0.00 H new ATOM 844 N ARG A 53 2.293 -12.200 2.674 1.00 0.00 N ATOM 845 CA ARG A 53 2.780 -13.446 2.092 1.00 0.00 C ATOM 846 C ARG A 53 2.776 -14.571 3.125 1.00 0.00 C ATOM 847 O ARG A 53 2.689 -15.748 2.774 1.00 0.00 O ATOM 848 CB ARG A 53 4.193 -13.256 1.536 1.00 0.00 C ATOM 849 CG ARG A 53 4.551 -14.239 0.433 1.00 0.00 C ATOM 850 CD ARG A 53 5.899 -13.913 -0.186 1.00 0.00 C ATOM 851 NE ARG A 53 6.381 -14.991 -1.047 1.00 0.00 N ATOM 852 CZ ARG A 53 7.547 -14.962 -1.689 1.00 0.00 C ATOM 853 NH1 ARG A 53 8.352 -13.914 -1.571 1.00 0.00 N ATOM 854 NH2 ARG A 53 7.908 -15.984 -2.453 1.00 0.00 N ATOM 0 H ARG A 53 2.949 -11.421 2.612 1.00 0.00 H new ATOM 0 HA ARG A 53 2.109 -13.722 1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.289 -12.241 1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.911 -13.358 2.349 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.570 -15.251 0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.781 -14.219 -0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.819 -12.994 -0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.626 -13.728 0.605 1.00 0.00 H new ATOM 0 HE ARG A 53 5.789 -15.814 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.079 -13.124 -0.986 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.244 -13.898 -2.065 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.292 -16.792 -2.549 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.801 -15.962 -2.945 1.00 0.00 H new ATOM 868 N GLN A 54 2.870 -14.202 4.399 1.00 0.00 N ATOM 869 CA GLN A 54 2.876 -15.182 5.480 1.00 0.00 C ATOM 870 C GLN A 54 1.457 -15.495 5.957 1.00 0.00 C ATOM 871 O GLN A 54 1.272 -16.180 6.963 1.00 0.00 O ATOM 872 CB GLN A 54 3.717 -14.671 6.651 1.00 0.00 C ATOM 873 CG GLN A 54 5.204 -14.951 6.500 1.00 0.00 C ATOM 874 CD GLN A 54 5.889 -15.192 7.831 1.00 0.00 C ATOM 875 OE1 GLN A 54 6.473 -16.251 8.058 1.00 0.00 O ATOM 876 NE2 GLN A 54 5.819 -14.208 8.719 1.00 0.00 N ATOM 0 H GLN A 54 2.943 -13.233 4.708 1.00 0.00 H new ATOM 0 HA GLN A 54 3.315 -16.102 5.093 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.567 -13.596 6.754 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.361 -15.132 7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.343 -15.823 5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.680 -14.109 5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.324 -13.347 8.488 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.260 -14.313 9.633 1.00 0.00 H new ATOM 885 N GLN A 55 0.458 -14.992 5.235 1.00 0.00 N ATOM 886 CA GLN A 55 -0.935 -15.226 5.595 1.00 0.00 C ATOM 887 C GLN A 55 -1.787 -15.466 4.352 1.00 0.00 C ATOM 888 O GLN A 55 -2.900 -14.951 4.241 1.00 0.00 O ATOM 889 CB GLN A 55 -1.485 -14.034 6.384 1.00 0.00 C ATOM 890 CG GLN A 55 -2.566 -14.414 7.384 1.00 0.00 C ATOM 891 CD GLN A 55 -2.050 -14.464 8.808 1.00 0.00 C ATOM 892 OE1 GLN A 55 -2.199 -13.508 9.569 1.00 0.00 O ATOM 893 NE2 GLN A 55 -1.437 -15.583 9.177 1.00 0.00 N ATOM 0 H GLN A 55 0.589 -14.421 4.400 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.979 -16.119 6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.665 -13.550 6.914 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.889 -13.301 5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.382 -13.694 7.322 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.978 -15.387 7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.335 -16.351 8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.068 -15.674 10.124 1.00 0.00 H new ATOM 902 N VAL A 56 -1.257 -16.251 3.421 1.00 0.00 N ATOM 903 CA VAL A 56 -1.969 -16.561 2.184 1.00 0.00 C ATOM 904 C VAL A 56 -2.378 -18.030 2.145 1.00 0.00 C ATOM 905 O VAL A 56 -2.016 -18.810 3.026 1.00 0.00 O ATOM 906 CB VAL A 56 -1.119 -16.242 0.930 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.856 -15.274 0.017 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.244 -15.682 1.315 1.00 0.00 C ATOM 0 H VAL A 56 -0.337 -16.685 3.498 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.858 -15.931 2.171 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.957 -17.175 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.243 -15.062 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.799 -15.719 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.055 -14.347 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.817 -15.468 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.112 -14.764 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.780 -16.413 1.921 1.00 0.00 H new ATOM 918 N THR A 57 -3.129 -18.401 1.111 1.00 0.00 N ATOM 919 CA THR A 57 -3.585 -19.768 0.941 1.00 0.00 C ATOM 920 C THR A 57 -4.139 -19.969 -0.461 1.00 0.00 C ATOM 921 O THR A 57 -4.747 -19.068 -1.040 1.00 0.00 O ATOM 922 CB THR A 57 -4.657 -20.123 1.970 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.548 -19.039 2.163 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.094 -20.503 3.322 1.00 0.00 C ATOM 0 H THR A 57 -3.434 -17.764 0.375 1.00 0.00 H new ATOM 0 HA THR A 57 -2.729 -20.426 1.090 1.00 0.00 H new ATOM 0 HB THR A 57 -5.173 -20.989 1.556 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.227 -19.288 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.911 -20.742 4.002 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.445 -21.372 3.215 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.520 -19.669 3.724 1.00 0.00 H new ATOM 932 N GLY A 58 -3.916 -21.152 -0.996 1.00 0.00 N ATOM 933 CA GLY A 58 -4.386 -21.474 -2.327 1.00 0.00 C ATOM 934 C GLY A 58 -3.353 -22.228 -3.133 1.00 0.00 C ATOM 935 O GLY A 58 -2.794 -23.224 -2.673 1.00 0.00 O ATOM 0 H GLY A 58 -3.412 -21.906 -0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.294 -22.072 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.651 -20.554 -2.849 1.00 0.00 H new ATOM 939 N GLU A 59 -3.101 -21.746 -4.337 1.00 0.00 N ATOM 940 CA GLU A 59 -2.127 -22.364 -5.228 1.00 0.00 C ATOM 941 C GLU A 59 -0.915 -21.455 -5.410 1.00 0.00 C ATOM 942 O GLU A 59 -1.014 -20.239 -5.247 1.00 0.00 O ATOM 943 CB GLU A 59 -2.766 -22.663 -6.586 1.00 0.00 C ATOM 944 CG GLU A 59 -4.142 -23.300 -6.484 1.00 0.00 C ATOM 945 CD GLU A 59 -4.391 -24.326 -7.572 1.00 0.00 C ATOM 946 OE1 GLU A 59 -4.078 -24.036 -8.744 1.00 0.00 O ATOM 947 OE2 GLU A 59 -4.901 -25.421 -7.250 1.00 0.00 O ATOM 0 H GLU A 59 -3.560 -20.922 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.796 -23.300 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.845 -21.735 -7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.109 -23.326 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.246 -23.777 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.904 -22.522 -6.542 1.00 0.00 H new ATOM 954 N PRO A 60 0.250 -22.031 -5.754 1.00 0.00 N ATOM 955 CA PRO A 60 1.480 -21.262 -5.959 1.00 0.00 C ATOM 956 C PRO A 60 1.265 -20.082 -6.901 1.00 0.00 C ATOM 957 O PRO A 60 1.709 -18.967 -6.626 1.00 0.00 O ATOM 958 CB PRO A 60 2.456 -22.278 -6.578 1.00 0.00 C ATOM 959 CG PRO A 60 1.631 -23.475 -6.920 1.00 0.00 C ATOM 960 CD PRO A 60 0.466 -23.465 -5.973 1.00 0.00 C ATOM 0 HA PRO A 60 1.846 -20.827 -5.029 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.937 -21.868 -7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.249 -22.537 -5.876 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.292 -23.431 -7.955 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.212 -24.391 -6.813 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.412 -23.947 -6.404 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.693 -23.988 -5.044 1.00 0.00 H new ATOM 968 N GLN A 61 0.579 -20.335 -8.009 1.00 0.00 N ATOM 969 CA GLN A 61 0.300 -19.293 -8.990 1.00 0.00 C ATOM 970 C GLN A 61 -0.797 -18.358 -8.493 1.00 0.00 C ATOM 971 O GLN A 61 -0.776 -17.159 -8.771 1.00 0.00 O ATOM 972 CB GLN A 61 -0.107 -19.915 -10.326 1.00 0.00 C ATOM 973 CG GLN A 61 -1.400 -20.712 -10.258 1.00 0.00 C ATOM 974 CD GLN A 61 -1.924 -21.090 -11.630 1.00 0.00 C ATOM 975 OE1 GLN A 61 -1.225 -21.722 -12.421 1.00 0.00 O ATOM 976 NE2 GLN A 61 -3.162 -20.704 -11.917 1.00 0.00 N ATOM 0 H GLN A 61 0.206 -21.253 -8.251 1.00 0.00 H new ATOM 0 HA GLN A 61 1.210 -18.711 -9.133 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.217 -19.123 -11.067 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.694 -20.568 -10.673 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.234 -21.617 -9.674 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.156 -20.128 -9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.705 -20.181 -11.230 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.569 -20.930 -12.824 1.00 0.00 H new ATOM 985 N GLU A 62 -1.757 -18.912 -7.757 1.00 0.00 N ATOM 986 CA GLU A 62 -2.859 -18.122 -7.224 1.00 0.00 C ATOM 987 C GLU A 62 -2.351 -17.110 -6.206 1.00 0.00 C ATOM 988 O GLU A 62 -2.687 -15.927 -6.269 1.00 0.00 O ATOM 989 CB GLU A 62 -3.906 -19.035 -6.582 1.00 0.00 C ATOM 990 CG GLU A 62 -5.124 -19.275 -7.460 1.00 0.00 C ATOM 991 CD GLU A 62 -6.294 -18.383 -7.091 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.282 -17.196 -7.479 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.222 -18.872 -6.412 1.00 0.00 O ATOM 0 H GLU A 62 -1.793 -19.903 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.322 -17.581 -8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.444 -19.994 -6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.229 -18.596 -5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.855 -19.103 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.427 -20.319 -7.377 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.532 -17.581 -5.270 1.00 0.00 N ATOM 1001 CA ARG A 63 -0.971 -16.718 -4.244 1.00 0.00 C ATOM 1002 C ARG A 63 -0.117 -15.622 -4.872 1.00 0.00 C ATOM 1003 O ARG A 63 -0.070 -14.497 -4.376 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.135 -17.545 -3.269 1.00 0.00 C ATOM 1005 CG ARG A 63 1.076 -18.202 -3.910 1.00 0.00 C ATOM 1006 CD ARG A 63 2.024 -18.765 -2.864 1.00 0.00 C ATOM 1007 NE ARG A 63 1.352 -19.695 -1.959 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.991 -20.516 -1.129 1.00 0.00 C ATOM 1009 NH1 ARG A 63 3.318 -20.525 -1.086 1.00 0.00 N ATOM 1010 NH2 ARG A 63 1.304 -21.330 -0.341 1.00 0.00 N ATOM 0 H ARG A 63 -1.244 -18.557 -5.204 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.789 -16.246 -3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.200 -16.902 -2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.765 -18.317 -2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.748 -19.002 -4.574 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.603 -17.473 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.850 -19.275 -3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.455 -17.946 -2.288 1.00 0.00 H new ATOM 0 HE ARG A 63 0.332 -19.716 -1.964 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.852 -19.901 -1.691 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.803 -21.156 -0.448 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.284 -21.328 -0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.795 -21.959 0.295 1.00 0.00 H new ATOM 1024 N ASP A 64 0.557 -15.960 -5.967 1.00 0.00 N ATOM 1025 CA ASP A 64 1.407 -15.006 -6.667 1.00 0.00 C ATOM 1026 C ASP A 64 0.568 -13.952 -7.381 1.00 0.00 C ATOM 1027 O ASP A 64 0.952 -12.785 -7.460 1.00 0.00 O ATOM 1028 CB ASP A 64 2.301 -15.730 -7.673 1.00 0.00 C ATOM 1029 CG ASP A 64 3.675 -15.100 -7.786 1.00 0.00 C ATOM 1030 OD1 ASP A 64 4.322 -14.892 -6.737 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.106 -14.813 -8.923 1.00 0.00 O ATOM 0 H ASP A 64 0.530 -16.889 -6.388 1.00 0.00 H new ATOM 0 HA ASP A 64 2.034 -14.506 -5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.406 -16.773 -7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.821 -15.724 -8.651 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.581 -14.373 -7.901 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.476 -13.467 -8.612 1.00 0.00 C ATOM 1038 C LYS A 65 -2.186 -12.526 -7.644 1.00 0.00 C ATOM 1039 O LYS A 65 -2.434 -11.364 -7.964 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.506 -14.265 -9.415 1.00 0.00 C ATOM 1041 CG LYS A 65 -2.744 -13.715 -10.813 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.223 -13.701 -11.163 1.00 0.00 C ATOM 1043 CE LYS A 65 -4.895 -12.421 -10.693 1.00 0.00 C ATOM 1044 NZ LYS A 65 -4.780 -11.330 -11.700 1.00 0.00 N ATOM 0 H LYS A 65 -0.914 -15.335 -7.843 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.876 -12.866 -9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.172 -15.300 -9.492 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.451 -14.275 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.344 -12.703 -10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.203 -14.320 -11.540 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.344 -13.801 -12.242 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.714 -14.560 -10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.948 -12.617 -10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.444 -12.098 -9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.251 -10.475 -11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.776 -11.124 -11.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.233 -11.628 -12.588 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.511 -13.035 -6.460 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.193 -12.238 -5.448 1.00 0.00 C ATOM 1060 C ALA A 66 -2.244 -11.228 -4.813 1.00 0.00 C ATOM 1061 O ALA A 66 -2.626 -10.090 -4.536 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.794 -13.142 -4.382 1.00 0.00 C ATOM 0 H ALA A 66 -2.313 -13.995 -6.178 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.996 -11.686 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.300 -12.534 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.511 -13.821 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.002 -13.720 -3.906 1.00 0.00 H new ATOM 1068 N LEU A 67 -1.006 -11.651 -4.584 1.00 0.00 N ATOM 1069 CA LEU A 67 -0.002 -10.784 -3.980 1.00 0.00 C ATOM 1070 C LEU A 67 0.520 -9.764 -4.988 1.00 0.00 C ATOM 1071 O LEU A 67 0.884 -8.646 -4.622 1.00 0.00 O ATOM 1072 CB LEU A 67 1.152 -11.620 -3.431 1.00 0.00 C ATOM 1073 CG LEU A 67 1.452 -11.411 -1.946 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.671 -9.936 -1.648 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.321 -11.968 -1.093 1.00 0.00 C ATOM 0 H LEU A 67 -0.674 -12.589 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.471 -10.241 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.928 -12.674 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.051 -11.392 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 67 2.367 -11.949 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.883 -9.807 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.513 -9.568 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.774 -9.375 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.549 -11.812 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.609 -11.457 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.211 -13.035 -1.286 1.00 0.00 H new ATOM 1087 N GLN A 68 0.555 -10.158 -6.256 1.00 0.00 N ATOM 1088 CA GLN A 68 1.033 -9.279 -7.317 1.00 0.00 C ATOM 1089 C GLN A 68 0.133 -8.057 -7.462 1.00 0.00 C ATOM 1090 O GLN A 68 0.595 -6.972 -7.817 1.00 0.00 O ATOM 1091 CB GLN A 68 1.101 -10.038 -8.643 1.00 0.00 C ATOM 1092 CG GLN A 68 2.436 -10.722 -8.886 1.00 0.00 C ATOM 1093 CD GLN A 68 2.473 -11.482 -10.197 1.00 0.00 C ATOM 1094 OE1 GLN A 68 1.663 -12.379 -10.431 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.416 -11.125 -11.061 1.00 0.00 N ATOM 0 H GLN A 68 0.258 -11.080 -6.574 1.00 0.00 H new ATOM 0 HA GLN A 68 2.033 -8.938 -7.048 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.310 -10.787 -8.664 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.904 -9.344 -9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.229 -9.974 -8.882 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.642 -11.410 -8.066 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.067 -10.376 -10.825 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.490 -11.600 -11.961 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.155 -8.238 -7.187 1.00 0.00 N ATOM 1105 CA GLU A 69 -2.117 -7.148 -7.290 1.00 0.00 C ATOM 1106 C GLU A 69 -1.969 -6.181 -6.126 1.00 0.00 C ATOM 1107 O GLU A 69 -2.230 -4.985 -6.262 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.545 -7.694 -7.346 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.593 -6.627 -7.624 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.973 -6.550 -9.089 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -5.655 -7.478 -9.575 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -4.587 -5.564 -9.752 1.00 0.00 O ATOM 0 H GLU A 69 -1.556 -9.128 -6.892 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.914 -6.606 -8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.603 -8.459 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.777 -8.181 -6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.484 -6.835 -7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.214 -5.658 -7.299 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.536 -6.699 -4.985 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.337 -5.875 -3.802 1.00 0.00 C ATOM 1121 C LEU A 70 -0.468 -4.669 -4.142 1.00 0.00 C ATOM 1122 O LEU A 70 -0.587 -3.608 -3.528 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.688 -6.695 -2.684 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.247 -6.437 -1.284 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -0.875 -7.572 -0.344 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.740 -5.108 -0.746 1.00 0.00 C ATOM 0 H LEU A 70 -1.316 -7.686 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.309 -5.523 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.805 -7.754 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.382 -6.487 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.334 -6.389 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.281 -7.371 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.287 -8.508 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.210 -7.652 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.147 -4.940 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.349 -5.128 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.057 -4.302 -1.408 1.00 0.00 H new ATOM 1138 N ARG A 71 0.409 -4.845 -5.128 1.00 0.00 N ATOM 1139 CA ARG A 71 1.303 -3.775 -5.556 1.00 0.00 C ATOM 1140 C ARG A 71 0.527 -2.656 -6.243 1.00 0.00 C ATOM 1141 O ARG A 71 0.827 -1.477 -6.060 1.00 0.00 O ATOM 1142 CB ARG A 71 2.373 -4.324 -6.501 1.00 0.00 C ATOM 1143 CG ARG A 71 3.727 -3.651 -6.346 1.00 0.00 C ATOM 1144 CD ARG A 71 3.843 -2.423 -7.235 1.00 0.00 C ATOM 1145 NE ARG A 71 5.071 -1.675 -6.978 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.279 -2.078 -7.367 1.00 0.00 C ATOM 1147 NH1 ARG A 71 6.426 -3.219 -8.028 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.344 -1.337 -7.092 1.00 0.00 N ATOM 0 H ARG A 71 0.519 -5.718 -5.644 1.00 0.00 H new ATOM 0 HA ARG A 71 1.786 -3.364 -4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.486 -5.394 -6.325 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.033 -4.204 -7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.875 -3.363 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.517 -4.359 -6.596 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.817 -2.729 -8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.982 -1.774 -7.071 1.00 0.00 H new ATOM 0 HE ARG A 71 4.999 -0.793 -6.471 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.611 -3.794 -8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.354 -3.522 -8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.237 -0.460 -6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.270 -1.645 -7.389 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.472 -3.034 -7.034 1.00 0.00 N ATOM 1163 CA GLN A 72 -1.289 -2.062 -7.750 1.00 0.00 C ATOM 1164 C GLN A 72 -1.999 -1.125 -6.779 1.00 0.00 C ATOM 1165 O GLN A 72 -1.959 0.095 -6.937 1.00 0.00 O ATOM 1166 CB GLN A 72 -2.317 -2.779 -8.629 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.697 -3.739 -9.631 1.00 0.00 C ATOM 1168 CD GLN A 72 -2.376 -3.686 -10.985 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -2.947 -4.675 -11.446 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -2.315 -2.529 -11.632 1.00 0.00 N ATOM 0 H GLN A 72 -0.735 -4.006 -7.195 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.630 -1.467 -8.383 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.008 -3.330 -7.990 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.905 -2.035 -9.167 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.640 -3.502 -9.749 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.754 -4.755 -9.239 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.831 -1.735 -11.212 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.752 -2.434 -12.549 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.648 -1.704 -5.774 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.367 -0.919 -4.777 1.00 0.00 C ATOM 1181 C GLU A 73 -2.420 0.022 -4.038 1.00 0.00 C ATOM 1182 O GLU A 73 -2.708 1.208 -3.877 1.00 0.00 O ATOM 1183 CB GLU A 73 -4.068 -1.842 -3.779 1.00 0.00 C ATOM 1184 CG GLU A 73 -5.007 -2.843 -4.433 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.312 -2.213 -4.879 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.352 -0.974 -5.033 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.295 -2.959 -5.074 1.00 0.00 O ATOM 0 H GLU A 73 -2.691 -2.713 -5.628 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.116 -0.319 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.315 -2.383 -3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.633 -1.236 -3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.511 -3.292 -5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.218 -3.650 -3.731 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.291 -0.517 -3.589 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.301 0.274 -2.867 1.00 0.00 C ATOM 1196 C LEU A 74 0.372 1.283 -3.791 1.00 0.00 C ATOM 1197 O LEU A 74 0.734 2.381 -3.369 1.00 0.00 O ATOM 1198 CB LEU A 74 0.750 -0.641 -2.237 1.00 0.00 C ATOM 1199 CG LEU A 74 0.216 -1.615 -1.186 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.353 -2.424 -0.582 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.541 -0.864 -0.101 1.00 0.00 C ATOM 0 H LEU A 74 -1.039 -1.498 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.816 0.822 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.232 -1.214 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.520 -0.021 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.474 -2.304 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.954 -3.112 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.854 -2.991 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.068 -1.750 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.914 -1.572 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.128 -0.152 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.380 -0.329 -0.546 1.00 0.00 H new ATOM 1213 N ASN A 75 0.539 0.902 -5.054 1.00 0.00 N ATOM 1214 CA ASN A 75 1.172 1.775 -6.037 1.00 0.00 C ATOM 1215 C ASN A 75 0.391 3.077 -6.193 1.00 0.00 C ATOM 1216 O ASN A 75 0.961 4.166 -6.125 1.00 0.00 O ATOM 1217 CB ASN A 75 1.276 1.065 -7.388 1.00 0.00 C ATOM 1218 CG ASN A 75 2.001 1.899 -8.426 1.00 0.00 C ATOM 1219 OD1 ASN A 75 2.992 2.564 -8.123 1.00 0.00 O ATOM 1220 ND2 ASN A 75 1.511 1.868 -9.659 1.00 0.00 N ATOM 0 H ASN A 75 0.245 -0.004 -5.420 1.00 0.00 H new ATOM 0 HA ASN A 75 2.174 2.014 -5.681 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.799 0.117 -7.258 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.275 0.830 -7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.958 2.409 -10.399 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.687 1.303 -9.866 1.00 0.00 H new ATOM 1227 N THR A 76 -0.916 2.956 -6.402 1.00 0.00 N ATOM 1228 CA THR A 76 -1.774 4.120 -6.566 1.00 0.00 C ATOM 1229 C THR A 76 -2.048 4.797 -5.234 1.00 0.00 C ATOM 1230 O THR A 76 -2.128 6.019 -5.160 1.00 0.00 O ATOM 1231 CB THR A 76 -3.095 3.741 -7.211 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.513 2.451 -6.794 1.00 0.00 O ATOM 1233 CG2 THR A 76 -3.056 3.757 -8.724 1.00 0.00 C ATOM 0 H THR A 76 -1.403 2.062 -6.462 1.00 0.00 H new ATOM 0 HA THR A 76 -1.243 4.815 -7.216 1.00 0.00 H new ATOM 0 HB THR A 76 -3.801 4.503 -6.881 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.367 2.230 -7.221 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.033 3.476 -9.116 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.800 4.758 -9.071 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.307 3.048 -9.076 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.207 3.999 -4.181 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.484 4.544 -2.856 1.00 0.00 C ATOM 1243 C LEU A 77 -1.484 5.647 -2.533 1.00 0.00 C ATOM 1244 O LEU A 77 -1.790 6.591 -1.804 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.413 3.442 -1.797 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.733 2.717 -1.528 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.490 1.444 -0.731 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.700 3.633 -0.792 1.00 0.00 C ATOM 0 H LEU A 77 -2.149 2.981 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.491 4.961 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.670 2.708 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.059 3.879 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.178 2.442 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.440 0.942 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.832 0.782 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.024 1.695 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.634 3.103 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.262 3.937 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.898 4.517 -1.399 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.293 5.523 -3.103 1.00 0.00 N ATOM 1261 CA ALA A 78 0.755 6.509 -2.915 1.00 0.00 C ATOM 1262 C ALA A 78 0.440 7.806 -3.666 1.00 0.00 C ATOM 1263 O ALA A 78 0.892 8.880 -3.269 1.00 0.00 O ATOM 1264 CB ALA A 78 2.093 5.946 -3.369 1.00 0.00 C ATOM 0 H ALA A 78 -0.030 4.742 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 78 0.811 6.744 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.871 6.695 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.331 5.057 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.037 5.682 -4.425 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.312 7.705 -4.771 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.640 8.887 -5.571 1.00 0.00 C ATOM 1272 C ASN A 79 -1.336 9.966 -4.738 1.00 0.00 C ATOM 1273 O ASN A 79 -0.877 11.108 -4.689 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.520 8.495 -6.761 1.00 0.00 C ATOM 1275 CG ASN A 79 -0.957 8.983 -8.082 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -0.249 9.989 -8.134 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -1.271 8.271 -9.158 1.00 0.00 N ATOM 0 H ASN A 79 -0.698 6.830 -5.125 1.00 0.00 H new ATOM 0 HA ASN A 79 0.298 9.304 -5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.623 7.410 -6.792 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.520 8.906 -6.621 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.922 8.551 -10.075 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.861 7.444 -9.068 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.452 9.627 -4.069 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.193 10.585 -3.241 1.00 0.00 C ATOM 1286 C PRO A 80 -2.296 11.294 -2.231 1.00 0.00 C ATOM 1287 O PRO A 80 -2.449 12.489 -1.981 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.221 9.714 -2.517 1.00 0.00 C ATOM 1289 CG PRO A 80 -4.407 8.531 -3.401 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.083 8.296 -4.073 1.00 0.00 C ATOM 0 HA PRO A 80 -3.635 11.381 -3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.864 9.418 -1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.159 10.249 -2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.711 7.658 -2.824 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.190 8.714 -4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.482 7.566 -3.531 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.210 7.915 -5.086 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.360 10.547 -1.654 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.438 11.103 -0.670 1.00 0.00 C ATOM 1300 C PHE A 81 0.639 11.946 -1.347 1.00 0.00 C ATOM 1301 O PHE A 81 0.884 13.087 -0.956 1.00 0.00 O ATOM 1302 CB PHE A 81 0.212 9.981 0.141 1.00 0.00 C ATOM 1303 CG PHE A 81 0.651 10.408 1.512 1.00 0.00 C ATOM 1304 CD1 PHE A 81 -0.250 10.981 2.395 1.00 0.00 C ATOM 1305 CD2 PHE A 81 1.965 10.236 1.918 1.00 0.00 C ATOM 1306 CE1 PHE A 81 0.150 11.375 3.658 1.00 0.00 C ATOM 1307 CE2 PHE A 81 2.372 10.629 3.179 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.463 11.199 4.050 1.00 0.00 C ATOM 0 H PHE A 81 -1.220 9.556 -1.851 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.008 11.745 0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.494 9.156 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.075 9.601 -0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.277 11.121 2.093 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.679 9.790 1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.562 11.820 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.399 10.491 3.483 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.779 11.507 5.036 1.00 0.00 H new ATOM 1318 N LEU A 82 1.278 11.375 -2.362 1.00 0.00 N ATOM 1319 CA LEU A 82 2.330 12.074 -3.093 1.00 0.00 C ATOM 1320 C LEU A 82 1.792 13.349 -3.734 1.00 0.00 C ATOM 1321 O LEU A 82 2.449 14.391 -3.713 1.00 0.00 O ATOM 1322 CB LEU A 82 2.925 11.162 -4.168 1.00 0.00 C ATOM 1323 CG LEU A 82 4.069 10.264 -3.693 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.194 9.041 -4.589 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.377 11.040 -3.661 1.00 0.00 C ATOM 0 H LEU A 82 1.087 10.431 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 82 3.111 12.347 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.131 10.532 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.286 11.781 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 82 3.845 9.926 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.013 8.414 -4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.264 8.473 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.395 9.359 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.180 10.386 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.607 11.407 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.283 11.884 -2.978 1.00 0.00 H new ATOM 1337 N ALA A 83 0.593 13.261 -4.302 1.00 0.00 N ATOM 1338 CA ALA A 83 -0.032 14.408 -4.948 1.00 0.00 C ATOM 1339 C ALA A 83 -0.384 15.488 -3.930 1.00 0.00 C ATOM 1340 O ALA A 83 -0.268 16.681 -4.211 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.276 13.971 -5.707 1.00 0.00 C ATOM 0 H ALA A 83 0.036 12.407 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 83 0.683 14.831 -5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.734 14.837 -6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.000 13.240 -6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.987 13.522 -5.013 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.815 15.062 -2.748 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.185 15.993 -1.688 1.00 0.00 C ATOM 1349 C LYS A 84 0.053 16.639 -1.074 1.00 0.00 C ATOM 1350 O LYS A 84 0.142 17.863 -0.972 1.00 0.00 O ATOM 1351 CB LYS A 84 -1.989 15.272 -0.605 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.486 15.256 -0.869 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.281 15.349 0.425 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.519 16.214 0.256 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.724 15.401 -0.072 1.00 0.00 N ATOM 0 H LYS A 84 -0.917 14.078 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.802 16.777 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.632 14.245 -0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.803 15.753 0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.751 16.089 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.754 14.341 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.575 14.350 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.651 15.763 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.698 16.775 1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.347 16.944 -0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.547 16.028 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.563 14.885 -0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.904 14.722 0.695 1.00 0.00 H new ATOM 1369 N TYR A 85 1.007 15.808 -0.666 1.00 0.00 N ATOM 1370 CA TYR A 85 2.240 16.298 -0.061 1.00 0.00 C ATOM 1371 C TYR A 85 2.997 17.204 -1.029 1.00 0.00 C ATOM 1372 O TYR A 85 3.496 18.261 -0.643 1.00 0.00 O ATOM 1373 CB TYR A 85 3.126 15.124 0.362 1.00 0.00 C ATOM 1374 CG TYR A 85 3.160 14.899 1.858 1.00 0.00 C ATOM 1375 CD1 TYR A 85 2.077 14.330 2.517 1.00 0.00 C ATOM 1376 CD2 TYR A 85 4.272 15.256 2.608 1.00 0.00 C ATOM 1377 CE1 TYR A 85 2.103 14.124 3.883 1.00 0.00 C ATOM 1378 CE2 TYR A 85 4.306 15.052 3.975 1.00 0.00 C ATOM 1379 CZ TYR A 85 3.219 14.486 4.607 1.00 0.00 C ATOM 1380 OH TYR A 85 3.249 14.282 5.968 1.00 0.00 O ATOM 0 H TYR A 85 0.950 14.793 -0.743 1.00 0.00 H new ATOM 0 HA TYR A 85 1.978 16.881 0.822 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.770 14.217 -0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.141 15.299 0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.202 14.044 1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.124 15.700 2.116 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.253 13.681 4.381 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.179 15.334 4.545 1.00 0.00 H new ATOM 0 HH TYR A 85 2.498 13.709 6.230 1.00 0.00 H new ATOM 1390 N ARG A 86 3.079 16.781 -2.285 1.00 0.00 N ATOM 1391 CA ARG A 86 3.776 17.555 -3.307 1.00 0.00 C ATOM 1392 C ARG A 86 3.128 18.923 -3.490 1.00 0.00 C ATOM 1393 O ARG A 86 3.812 19.917 -3.736 1.00 0.00 O ATOM 1394 CB ARG A 86 3.779 16.797 -4.637 1.00 0.00 C ATOM 1395 CG ARG A 86 4.840 15.713 -4.717 1.00 0.00 C ATOM 1396 CD ARG A 86 4.905 15.098 -6.105 1.00 0.00 C ATOM 1397 NE ARG A 86 6.264 14.701 -6.466 1.00 0.00 N ATOM 1398 CZ ARG A 86 6.589 14.146 -7.631 1.00 0.00 C ATOM 1399 NH1 ARG A 86 5.660 13.921 -8.550 1.00 0.00 N ATOM 1400 NH2 ARG A 86 7.850 13.814 -7.878 1.00 0.00 N ATOM 0 H ARG A 86 2.672 15.908 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 86 4.805 17.702 -2.978 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.799 16.346 -4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.935 17.507 -5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.812 16.134 -4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.624 14.936 -3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.250 14.228 -6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.530 15.814 -6.836 1.00 0.00 H new ATOM 0 HE ARG A 86 7.007 14.858 -5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.689 14.174 -8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.916 13.495 -9.441 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.569 13.984 -7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.100 13.389 -8.771 1.00 0.00 H new ATOM 1414 N ASP A 87 1.806 18.967 -3.368 1.00 0.00 N ATOM 1415 CA ASP A 87 1.065 20.214 -3.520 1.00 0.00 C ATOM 1416 C ASP A 87 1.170 21.066 -2.259 1.00 0.00 C ATOM 1417 O ASP A 87 1.177 22.294 -2.327 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.404 19.924 -3.832 1.00 0.00 C ATOM 1419 CG ASP A 87 -0.670 19.833 -5.322 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -0.348 18.784 -5.920 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -1.203 20.808 -5.891 1.00 0.00 O ATOM 0 H ASP A 87 1.225 18.154 -3.164 1.00 0.00 H new ATOM 0 HA ASP A 87 1.503 20.769 -4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.696 18.988 -3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.026 20.709 -3.402 1.00 0.00 H new ATOM 1426 N PHE A 88 1.250 20.405 -1.109 1.00 0.00 N ATOM 1427 CA PHE A 88 1.355 21.101 0.168 1.00 0.00 C ATOM 1428 C PHE A 88 2.770 21.627 0.387 1.00 0.00 C ATOM 1429 O PHE A 88 2.966 22.806 0.682 1.00 0.00 O ATOM 1430 CB PHE A 88 0.961 20.169 1.315 1.00 0.00 C ATOM 1431 CG PHE A 88 0.169 20.849 2.395 1.00 0.00 C ATOM 1432 CD1 PHE A 88 0.752 21.819 3.194 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -1.160 20.518 2.611 1.00 0.00 C ATOM 1434 CE1 PHE A 88 0.025 22.446 4.189 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -1.891 21.143 3.604 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.298 22.107 4.394 1.00 0.00 C ATOM 0 H PHE A 88 1.244 19.388 -1.035 1.00 0.00 H new ATOM 0 HA PHE A 88 0.671 21.949 0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.377 19.340 0.915 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.864 19.742 1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.786 22.089 3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.629 19.764 1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.491 23.200 4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.926 20.877 3.762 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.867 22.595 5.171 1.00 0.00 H new ATOM 1446 N LEU A 89 3.753 20.744 0.240 1.00 0.00 N ATOM 1447 CA LEU A 89 5.151 21.119 0.420 1.00 0.00 C ATOM 1448 C LEU A 89 5.931 20.958 -0.880 1.00 0.00 C ATOM 1449 O LEU A 89 5.376 20.550 -1.901 1.00 0.00 O ATOM 1450 CB LEU A 89 5.791 20.271 1.520 1.00 0.00 C ATOM 1451 CG LEU A 89 5.661 18.758 1.329 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.889 18.045 1.875 1.00 0.00 C ATOM 1453 CD2 LEU A 89 4.399 18.242 2.003 1.00 0.00 C ATOM 0 H LEU A 89 3.607 19.764 -0.003 1.00 0.00 H new ATOM 0 HA LEU A 89 5.183 22.168 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.849 20.524 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.340 20.541 2.475 1.00 0.00 H new ATOM 0 HG LEU A 89 5.589 18.550 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.780 16.970 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.777 18.393 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.992 18.260 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.323 17.165 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.441 18.461 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.528 18.730 1.566 1.00 0.00 H new ATOM 1465 N LYS A 90 7.219 21.279 -0.836 1.00 0.00 N ATOM 1466 CA LYS A 90 8.075 21.169 -2.012 1.00 0.00 C ATOM 1467 C LYS A 90 9.524 21.494 -1.662 1.00 0.00 C ATOM 1468 O LYS A 90 10.286 20.551 -1.362 1.00 0.00 O ATOM 1469 CB LYS A 90 7.582 22.104 -3.117 1.00 0.00 C ATOM 1470 CG LYS A 90 7.739 21.530 -4.515 1.00 0.00 C ATOM 1471 CD LYS A 90 9.181 21.611 -4.992 1.00 0.00 C ATOM 1472 CE LYS A 90 9.575 20.373 -5.782 1.00 0.00 C ATOM 1473 NZ LYS A 90 10.802 20.602 -6.595 1.00 0.00 N ATOM 1474 OXT LYS A 90 9.885 22.690 -1.692 1.00 1.00 O ATOM 0 H LYS A 90 7.694 21.617 0.001 1.00 0.00 H new ATOM 0 HA LYS A 90 8.029 20.140 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.531 22.335 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.129 23.045 -3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.410 20.491 -4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.095 22.073 -5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.311 22.497 -5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.844 21.723 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.743 19.543 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.754 20.084 -6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.038 19.735 -7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.633 21.378 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.592 20.853 -5.967 1.00 0.00 H new