USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 748 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 9 HIS : no HD1:sc= -0.501 X(o=-0.48,f=-0.33) USER MOD Set 1.2: A 65 TYR OH : rot -161:sc= 0.0251 USER MOD Set 2.1: A 37 GLN :FLIP amide:sc= -5.96 F(o=-9.4,f=-8.3) USER MOD Set 2.2: A 69 GLN : amide:sc= -2.32 X(o=-8.3,f=-8.6) USER MOD Single : A 6 TYR OH : rot 29:sc= -1.75! USER MOD Single : A 10 THR OG1 : rot -90:sc= -0.891 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= -0.805 (180deg=-1.63!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.12 (180deg=-0.536) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc=-0.000734 X(o=-0.00073,f=0.061) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 158:sc= -0.154 (180deg=-0.774) USER MOD Single : A 79 ASN : amide:sc=-0.00341 X(o=-0.0034,f=0) USER MOD Single : A 88 THR OG1 : rot 33:sc= -0.793 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.0725 X(o=-0.072,f=-0.048) USER MOD Single : A 116 SER OG : rot 96:sc= 0.149 USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -1.198 7.392 -9.516 1.00 0.00 N ATOM 15 CA ILE A 3 -0.534 7.231 -8.227 1.00 0.00 C ATOM 16 C ILE A 3 0.231 5.911 -8.174 1.00 0.00 C ATOM 17 O ILE A 3 0.342 5.211 -9.180 1.00 0.00 O ATOM 18 CB ILE A 3 -1.543 7.295 -7.059 1.00 0.00 C ATOM 19 CG1 ILE A 3 -2.490 6.095 -7.087 1.00 0.00 C ATOM 20 CG2 ILE A 3 -2.332 8.595 -7.115 1.00 0.00 C ATOM 21 CD1 ILE A 3 -3.396 6.062 -8.299 1.00 0.00 C ATOM 0 HA ILE A 3 0.169 8.057 -8.120 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.984 7.263 -6.124 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.901 5.178 -7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.104 6.107 -6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.039 8.627 -6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.647 9.440 -7.041 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.875 8.650 -8.058 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.039 5.183 -8.249 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.012 6.961 -8.317 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.791 6.018 -9.205 1.00 0.00 H new ATOM 33 N GLU A 4 0.767 5.577 -7.002 1.00 0.00 N ATOM 34 CA GLU A 4 1.527 4.341 -6.844 1.00 0.00 C ATOM 35 C GLU A 4 1.260 3.683 -5.493 1.00 0.00 C ATOM 36 O GLU A 4 0.801 4.332 -4.548 1.00 0.00 O ATOM 37 CB GLU A 4 3.023 4.618 -7.000 1.00 0.00 C ATOM 38 CG GLU A 4 3.779 3.502 -7.702 1.00 0.00 C ATOM 39 CD GLU A 4 4.437 3.960 -8.988 1.00 0.00 C ATOM 40 OE1 GLU A 4 3.783 4.690 -9.763 1.00 0.00 O ATOM 41 OE2 GLU A 4 5.608 3.589 -9.222 1.00 0.00 O ATOM 0 H GLU A 4 0.690 6.140 -6.155 1.00 0.00 H new ATOM 0 HA GLU A 4 1.201 3.652 -7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.156 5.544 -7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.459 4.777 -6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.540 3.106 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.092 2.685 -7.921 1.00 0.00 H new ATOM 48 N TRP A 5 1.556 2.390 -5.411 1.00 0.00 N ATOM 49 CA TRP A 5 1.360 1.630 -4.183 1.00 0.00 C ATOM 50 C TRP A 5 2.682 1.447 -3.444 1.00 0.00 C ATOM 51 O TRP A 5 3.569 0.731 -3.909 1.00 0.00 O ATOM 52 CB TRP A 5 0.753 0.260 -4.495 1.00 0.00 C ATOM 53 CG TRP A 5 -0.661 0.328 -4.988 1.00 0.00 C ATOM 54 CD1 TRP A 5 -1.076 0.663 -6.244 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.846 0.046 -4.235 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.446 0.607 -6.319 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.943 0.231 -5.096 1.00 0.00 C ATOM 58 CE3 TRP A 5 -2.086 -0.345 -2.914 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -4.257 0.036 -4.682 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -3.392 -0.536 -2.504 1.00 0.00 C ATOM 61 CH2 TRP A 5 -4.462 -0.347 -3.384 1.00 0.00 C ATOM 0 H TRP A 5 1.935 1.845 -6.185 1.00 0.00 H new ATOM 0 HA TRP A 5 0.675 2.189 -3.546 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.367 -0.238 -5.246 1.00 0.00 H new ATOM 0 HB3 TRP A 5 0.786 -0.356 -3.596 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.422 0.933 -7.060 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.003 0.811 -7.148 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -1.266 -0.495 -2.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.085 0.182 -5.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.590 -0.837 -1.486 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.471 -0.506 -3.032 1.00 0.00 H new ATOM 72 N TYR A 6 2.808 2.095 -2.290 1.00 0.00 N ATOM 73 CA TYR A 6 4.025 1.994 -1.492 1.00 0.00 C ATOM 74 C TYR A 6 3.885 0.915 -0.425 1.00 0.00 C ATOM 75 O TYR A 6 2.953 0.939 0.378 1.00 0.00 O ATOM 76 CB TYR A 6 4.349 3.340 -0.840 1.00 0.00 C ATOM 77 CG TYR A 6 5.174 4.252 -1.722 1.00 0.00 C ATOM 78 CD1 TYR A 6 4.574 5.041 -2.694 1.00 0.00 C ATOM 79 CD2 TYR A 6 6.554 4.319 -1.580 1.00 0.00 C ATOM 80 CE1 TYR A 6 5.326 5.872 -3.502 1.00 0.00 C ATOM 81 CE2 TYR A 6 7.314 5.149 -2.385 1.00 0.00 C ATOM 82 CZ TYR A 6 6.695 5.922 -3.344 1.00 0.00 C ATOM 83 OH TYR A 6 7.447 6.748 -4.148 1.00 0.00 O ATOM 0 H TYR A 6 2.086 2.693 -1.888 1.00 0.00 H new ATOM 0 HA TYR A 6 4.844 1.718 -2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.418 3.843 -0.580 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.887 3.164 0.092 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.502 5.005 -2.821 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.041 3.714 -0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.844 6.479 -4.254 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.386 5.191 -2.263 1.00 0.00 H new ATOM 0 HH TYR A 6 6.907 7.520 -4.420 1.00 0.00 H new ATOM 93 N ALA A 7 4.813 -0.037 -0.427 1.00 0.00 N ATOM 94 CA ALA A 7 4.787 -1.131 0.537 1.00 0.00 C ATOM 95 C ALA A 7 5.752 -0.880 1.691 1.00 0.00 C ATOM 96 O ALA A 7 6.836 -0.329 1.500 1.00 0.00 O ATOM 97 CB ALA A 7 5.117 -2.447 -0.152 1.00 0.00 C ATOM 0 H ALA A 7 5.592 -0.073 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 7 3.781 -1.189 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.094 -3.256 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.383 -2.643 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.111 -2.386 -0.595 1.00 0.00 H new ATOM 103 N VAL A 8 5.351 -1.293 2.890 1.00 0.00 N ATOM 104 CA VAL A 8 6.179 -1.118 4.078 1.00 0.00 C ATOM 105 C VAL A 8 6.097 -2.340 4.989 1.00 0.00 C ATOM 106 O VAL A 8 5.182 -3.153 4.869 1.00 0.00 O ATOM 107 CB VAL A 8 5.765 0.134 4.880 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.833 0.491 5.901 1.00 0.00 C ATOM 109 CG2 VAL A 8 5.501 1.305 3.945 1.00 0.00 C ATOM 0 H VAL A 8 4.457 -1.752 3.064 1.00 0.00 H new ATOM 0 HA VAL A 8 7.204 -0.992 3.730 1.00 0.00 H new ATOM 0 HB VAL A 8 4.842 -0.090 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.524 1.376 6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.969 -0.342 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.773 0.695 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.210 2.178 4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.405 1.531 3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.698 1.046 3.255 1.00 0.00 H new ATOM 119 N HIS A 9 7.064 -2.468 5.894 1.00 0.00 N ATOM 120 CA HIS A 9 7.102 -3.596 6.819 1.00 0.00 C ATOM 121 C HIS A 9 6.274 -3.314 8.071 1.00 0.00 C ATOM 122 O HIS A 9 6.054 -2.159 8.435 1.00 0.00 O ATOM 123 CB HIS A 9 8.546 -3.909 7.216 1.00 0.00 C ATOM 124 CG HIS A 9 9.408 -4.325 6.067 1.00 0.00 C ATOM 125 ND1 HIS A 9 10.323 -5.354 6.145 1.00 0.00 N ATOM 126 CD2 HIS A 9 9.489 -3.850 4.801 1.00 0.00 C ATOM 127 CE1 HIS A 9 10.932 -5.490 4.980 1.00 0.00 C ATOM 128 NE2 HIS A 9 10.443 -4.590 4.147 1.00 0.00 N ATOM 0 H HIS A 9 7.831 -1.805 6.006 1.00 0.00 H new ATOM 0 HA HIS A 9 6.672 -4.458 6.309 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.983 -3.028 7.687 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.544 -4.702 7.964 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.910 -3.039 4.383 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.699 -6.214 4.749 1.00 0.00 H new ATOM 0 HE2 HIS A 9 10.728 -4.465 3.176 1.00 0.00 H new ATOM 137 N THR A 10 5.824 -4.381 8.727 1.00 0.00 N ATOM 138 CA THR A 10 5.026 -4.257 9.943 1.00 0.00 C ATOM 139 C THR A 10 5.318 -5.408 10.899 1.00 0.00 C ATOM 140 O THR A 10 6.175 -6.249 10.631 1.00 0.00 O ATOM 141 CB THR A 10 3.535 -4.231 9.604 1.00 0.00 C ATOM 142 OG1 THR A 10 3.193 -5.318 8.763 1.00 0.00 O ATOM 143 CG2 THR A 10 3.098 -2.959 8.913 1.00 0.00 C ATOM 0 H THR A 10 5.999 -5.343 8.436 1.00 0.00 H new ATOM 0 HA THR A 10 5.296 -3.320 10.430 1.00 0.00 H new ATOM 0 HB THR A 10 3.021 -4.297 10.563 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.290 -5.050 7.826 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.030 -3.008 8.702 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.301 -2.105 9.560 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.648 -2.845 7.979 1.00 0.00 H new ATOM 151 N LEU A 11 4.597 -5.440 12.015 1.00 0.00 N ATOM 152 CA LEU A 11 4.779 -6.491 13.009 1.00 0.00 C ATOM 153 C LEU A 11 3.961 -7.727 12.647 1.00 0.00 C ATOM 154 O LEU A 11 2.758 -7.638 12.403 1.00 0.00 O ATOM 155 CB LEU A 11 4.378 -5.983 14.397 1.00 0.00 C ATOM 156 CG LEU A 11 5.463 -6.106 15.469 1.00 0.00 C ATOM 157 CD1 LEU A 11 5.361 -4.960 16.464 1.00 0.00 C ATOM 158 CD2 LEU A 11 5.356 -7.446 16.181 1.00 0.00 C ATOM 0 H LEU A 11 3.883 -4.752 12.253 1.00 0.00 H new ATOM 0 HA LEU A 11 5.833 -6.768 13.024 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.087 -4.936 14.314 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.497 -6.533 14.728 1.00 0.00 H new ATOM 0 HG LEU A 11 6.437 -6.052 14.984 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.140 -5.063 17.219 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.486 -4.012 15.941 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.383 -4.982 16.946 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.135 -7.518 16.940 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.378 -7.529 16.655 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.478 -8.253 15.458 1.00 0.00 H new ATOM 170 N VAL A 12 4.624 -8.878 12.616 1.00 0.00 N ATOM 171 CA VAL A 12 3.962 -10.133 12.284 1.00 0.00 C ATOM 172 C VAL A 12 2.828 -10.430 13.259 1.00 0.00 C ATOM 173 O VAL A 12 3.064 -10.863 14.387 1.00 0.00 O ATOM 174 CB VAL A 12 4.953 -11.312 12.295 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.949 -11.186 11.152 1.00 0.00 C ATOM 176 CG2 VAL A 12 5.672 -11.392 13.633 1.00 0.00 C ATOM 0 H VAL A 12 5.620 -8.967 12.817 1.00 0.00 H new ATOM 0 HA VAL A 12 3.555 -10.019 11.279 1.00 0.00 H new ATOM 0 HB VAL A 12 4.391 -12.235 12.154 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.640 -12.028 11.177 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.414 -11.184 10.202 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.507 -10.256 11.257 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.368 -12.231 13.622 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.221 -10.467 13.807 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.943 -11.536 14.430 1.00 0.00 H new ATOM 186 N GLY A 13 1.597 -10.191 12.819 1.00 0.00 N ATOM 187 CA GLY A 13 0.446 -10.437 13.667 1.00 0.00 C ATOM 188 C GLY A 13 -0.246 -9.158 14.097 1.00 0.00 C ATOM 189 O GLY A 13 -1.398 -9.185 14.532 1.00 0.00 O ATOM 0 H GLY A 13 1.376 -9.831 11.890 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.265 -11.069 13.134 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.763 -10.989 14.552 1.00 0.00 H new ATOM 193 N GLN A 14 0.453 -8.032 13.974 1.00 0.00 N ATOM 194 CA GLN A 14 -0.107 -6.740 14.354 1.00 0.00 C ATOM 195 C GLN A 14 -0.314 -5.844 13.134 1.00 0.00 C ATOM 196 O GLN A 14 -0.738 -4.695 13.263 1.00 0.00 O ATOM 197 CB GLN A 14 0.807 -6.042 15.363 1.00 0.00 C ATOM 198 CG GLN A 14 0.052 -5.321 16.467 1.00 0.00 C ATOM 199 CD GLN A 14 0.938 -4.384 17.264 1.00 0.00 C ATOM 200 OE1 GLN A 14 1.133 -3.227 16.889 1.00 0.00 O ATOM 201 NE2 GLN A 14 1.480 -4.879 18.370 1.00 0.00 N ATOM 0 H GLN A 14 1.407 -7.989 13.615 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.079 -6.920 14.813 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.472 -6.781 15.811 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.436 -5.325 14.836 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.770 -4.754 16.030 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.391 -6.056 17.139 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.291 -5.843 18.643 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.085 -4.295 18.947 1.00 0.00 H new ATOM 210 N GLU A 15 -0.010 -6.369 11.948 1.00 0.00 N ATOM 211 CA GLU A 15 -0.165 -5.610 10.713 1.00 0.00 C ATOM 212 C GLU A 15 -1.588 -5.078 10.571 1.00 0.00 C ATOM 213 O GLU A 15 -1.795 -3.916 10.221 1.00 0.00 O ATOM 214 CB GLU A 15 0.186 -6.484 9.507 1.00 0.00 C ATOM 215 CG GLU A 15 0.183 -5.730 8.189 1.00 0.00 C ATOM 216 CD GLU A 15 0.234 -6.655 6.988 1.00 0.00 C ATOM 217 OE1 GLU A 15 1.025 -7.621 7.018 1.00 0.00 O ATOM 218 OE2 GLU A 15 -0.517 -6.414 6.020 1.00 0.00 O ATOM 0 H GLU A 15 0.345 -7.317 11.819 1.00 0.00 H new ATOM 0 HA GLU A 15 0.517 -4.761 10.752 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.171 -6.924 9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.525 -7.308 9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.713 -5.113 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.038 -5.054 8.159 1.00 0.00 H new ATOM 225 N GLU A 16 -2.566 -5.936 10.845 1.00 0.00 N ATOM 226 CA GLU A 16 -3.972 -5.554 10.748 1.00 0.00 C ATOM 227 C GLU A 16 -4.260 -4.307 11.579 1.00 0.00 C ATOM 228 O GLU A 16 -4.665 -3.274 11.047 1.00 0.00 O ATOM 229 CB GLU A 16 -4.867 -6.707 11.206 1.00 0.00 C ATOM 230 CG GLU A 16 -6.311 -6.575 10.747 1.00 0.00 C ATOM 231 CD GLU A 16 -7.146 -7.792 11.093 1.00 0.00 C ATOM 232 OE1 GLU A 16 -7.337 -8.059 12.299 1.00 0.00 O ATOM 233 OE2 GLU A 16 -7.610 -8.479 10.160 1.00 0.00 O ATOM 0 H GLU A 16 -2.411 -6.901 11.136 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.189 -5.327 9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.459 -7.645 10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.844 -6.764 12.294 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.755 -5.692 11.206 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.333 -6.419 9.668 1.00 0.00 H new ATOM 240 N LYS A 17 -4.047 -4.410 12.887 1.00 0.00 N ATOM 241 CA LYS A 17 -4.283 -3.289 13.790 1.00 0.00 C ATOM 242 C LYS A 17 -3.308 -2.148 13.512 1.00 0.00 C ATOM 243 O LYS A 17 -3.582 -0.994 13.842 1.00 0.00 O ATOM 244 CB LYS A 17 -4.152 -3.743 15.246 1.00 0.00 C ATOM 245 CG LYS A 17 -4.721 -2.748 16.245 1.00 0.00 C ATOM 246 CD LYS A 17 -5.024 -3.410 17.580 1.00 0.00 C ATOM 247 CE LYS A 17 -3.755 -3.667 18.379 1.00 0.00 C ATOM 248 NZ LYS A 17 -3.474 -5.123 18.521 1.00 0.00 N ATOM 0 H LYS A 17 -3.712 -5.257 13.345 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.296 -2.926 13.618 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.661 -4.699 15.367 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.099 -3.911 15.472 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.011 -1.934 16.394 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.632 -2.306 15.842 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.696 -2.775 18.157 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.544 -4.352 17.410 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.912 -3.181 17.888 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.851 -3.218 19.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.602 -5.256 19.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.267 -5.583 19.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.357 -5.547 17.579 1.00 0.00 H new ATOM 262 N ALA A 18 -2.171 -2.474 12.904 1.00 0.00 N ATOM 263 CA ALA A 18 -1.160 -1.475 12.584 1.00 0.00 C ATOM 264 C ALA A 18 -1.729 -0.392 11.674 1.00 0.00 C ATOM 265 O ALA A 18 -1.544 0.799 11.919 1.00 0.00 O ATOM 266 CB ALA A 18 0.048 -2.135 11.937 1.00 0.00 C ATOM 0 H ALA A 18 -1.928 -3.424 12.623 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.844 -1.001 13.513 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.795 -1.377 11.703 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.475 -2.866 12.624 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.259 -2.636 11.019 1.00 0.00 H new ATOM 272 N LYS A 19 -2.426 -0.816 10.623 1.00 0.00 N ATOM 273 CA LYS A 19 -3.026 0.115 9.673 1.00 0.00 C ATOM 274 C LYS A 19 -3.943 1.108 10.384 1.00 0.00 C ATOM 275 O LYS A 19 -3.952 2.297 10.066 1.00 0.00 O ATOM 276 CB LYS A 19 -3.813 -0.648 8.604 1.00 0.00 C ATOM 277 CG LYS A 19 -3.028 -0.883 7.323 1.00 0.00 C ATOM 278 CD LYS A 19 -3.553 -2.093 6.562 1.00 0.00 C ATOM 279 CE LYS A 19 -3.766 -1.777 5.089 1.00 0.00 C ATOM 280 NZ LYS A 19 -2.549 -2.055 4.279 1.00 0.00 N ATOM 0 H LYS A 19 -2.589 -1.800 10.408 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.221 0.672 9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.124 -1.610 9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.721 -0.093 8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.090 0.002 6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.975 -1.031 7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.849 -2.919 6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.493 -2.422 7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.598 -2.368 4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.043 -0.729 4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.825 -2.258 3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.922 -1.225 4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.048 -2.876 4.675 1.00 0.00 H new ATOM 294 N ALA A 20 -4.710 0.610 11.348 1.00 0.00 N ATOM 295 CA ALA A 20 -5.628 1.452 12.103 1.00 0.00 C ATOM 296 C ALA A 20 -4.880 2.554 12.846 1.00 0.00 C ATOM 297 O ALA A 20 -5.363 3.683 12.954 1.00 0.00 O ATOM 298 CB ALA A 20 -6.436 0.610 13.080 1.00 0.00 C ATOM 0 H ALA A 20 -4.714 -0.372 11.624 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.310 1.925 11.396 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.118 1.253 13.637 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.009 -0.136 12.530 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.761 0.109 13.774 1.00 0.00 H new ATOM 304 N ASN A 21 -3.698 2.221 13.353 1.00 0.00 N ATOM 305 CA ASN A 21 -2.882 3.184 14.085 1.00 0.00 C ATOM 306 C ASN A 21 -2.442 4.322 13.172 1.00 0.00 C ATOM 307 O ASN A 21 -2.284 5.459 13.615 1.00 0.00 O ATOM 308 CB ASN A 21 -1.656 2.492 14.685 1.00 0.00 C ATOM 309 CG ASN A 21 -1.869 2.093 16.133 1.00 0.00 C ATOM 310 OD1 ASN A 21 -2.495 1.075 16.423 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.348 2.900 17.050 1.00 0.00 N ATOM 0 H ASN A 21 -3.283 1.293 13.271 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.486 3.600 14.892 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.419 1.605 14.098 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.796 3.159 14.617 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.460 2.685 18.041 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.836 3.734 16.763 1.00 0.00 H new ATOM 318 N LEU A 22 -2.246 4.008 11.896 1.00 0.00 N ATOM 319 CA LEU A 22 -1.823 5.006 10.920 1.00 0.00 C ATOM 320 C LEU A 22 -3.017 5.795 10.399 1.00 0.00 C ATOM 321 O LEU A 22 -3.081 7.013 10.554 1.00 0.00 O ATOM 322 CB LEU A 22 -1.096 4.339 9.750 1.00 0.00 C ATOM 323 CG LEU A 22 -0.261 3.111 10.115 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.541 2.636 8.914 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.661 3.424 11.285 1.00 0.00 C ATOM 0 H LEU A 22 -2.373 3.071 11.513 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.140 5.693 11.419 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.835 4.047 9.004 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.443 5.076 9.282 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.937 2.310 10.414 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.129 1.761 9.192 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.139 2.373 8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.208 3.432 8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.248 2.540 11.532 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.331 4.240 11.012 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.065 3.717 12.149 1.00 0.00 H new ATOM 337 N GLU A 23 -3.959 5.088 9.774 1.00 0.00 N ATOM 338 CA GLU A 23 -5.160 5.711 9.213 1.00 0.00 C ATOM 339 C GLU A 23 -5.678 6.843 10.099 1.00 0.00 C ATOM 340 O GLU A 23 -6.193 7.844 9.603 1.00 0.00 O ATOM 341 CB GLU A 23 -6.254 4.663 9.015 1.00 0.00 C ATOM 342 CG GLU A 23 -7.272 5.041 7.951 1.00 0.00 C ATOM 343 CD GLU A 23 -8.645 4.459 8.223 1.00 0.00 C ATOM 344 OE1 GLU A 23 -9.029 4.375 9.409 1.00 0.00 O ATOM 345 OE2 GLU A 23 -9.336 4.088 7.252 1.00 0.00 O ATOM 0 H GLU A 23 -3.913 4.078 9.643 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.888 6.140 8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.792 3.714 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.771 4.506 9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.347 6.127 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.921 4.695 6.979 1.00 0.00 H new ATOM 352 N LYS A 24 -5.533 6.680 11.410 1.00 0.00 N ATOM 353 CA LYS A 24 -5.981 7.697 12.353 1.00 0.00 C ATOM 354 C LYS A 24 -5.051 8.904 12.315 1.00 0.00 C ATOM 355 O LYS A 24 -5.497 10.041 12.165 1.00 0.00 O ATOM 356 CB LYS A 24 -6.045 7.121 13.769 1.00 0.00 C ATOM 357 CG LYS A 24 -7.439 6.678 14.184 1.00 0.00 C ATOM 358 CD LYS A 24 -8.119 7.721 15.057 1.00 0.00 C ATOM 359 CE LYS A 24 -9.578 7.373 15.306 1.00 0.00 C ATOM 360 NZ LYS A 24 -10.354 7.296 14.037 1.00 0.00 N ATOM 0 H LYS A 24 -5.111 5.858 11.841 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.981 8.019 12.063 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.367 6.270 13.837 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.686 7.871 14.474 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.043 6.496 13.295 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.376 5.734 14.726 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.594 7.798 16.009 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.053 8.698 14.577 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.640 6.418 15.828 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.024 8.123 15.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.368 7.396 14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.053 8.061 13.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.183 6.377 13.581 1.00 0.00 H new ATOM 374 N ARG A 25 -3.754 8.646 12.442 1.00 0.00 N ATOM 375 CA ARG A 25 -2.761 9.711 12.409 1.00 0.00 C ATOM 376 C ARG A 25 -2.662 10.305 11.007 1.00 0.00 C ATOM 377 O ARG A 25 -2.268 11.459 10.837 1.00 0.00 O ATOM 378 CB ARG A 25 -1.397 9.184 12.855 1.00 0.00 C ATOM 379 CG ARG A 25 -1.144 9.338 14.345 1.00 0.00 C ATOM 380 CD ARG A 25 0.072 8.541 14.792 1.00 0.00 C ATOM 381 NE ARG A 25 0.940 9.319 15.673 1.00 0.00 N ATOM 382 CZ ARG A 25 1.814 10.225 15.242 1.00 0.00 C ATOM 383 NH1 ARG A 25 1.944 10.469 13.943 1.00 0.00 N ATOM 384 NH2 ARG A 25 2.560 10.892 16.112 1.00 0.00 N ATOM 0 H ARG A 25 -3.367 7.711 12.568 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.075 10.494 13.099 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.319 8.130 12.589 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.616 9.710 12.306 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.997 10.392 14.583 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.021 9.006 14.900 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.255 7.639 15.309 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.637 8.220 13.917 1.00 0.00 H new ATOM 0 HE ARG A 25 0.872 9.158 16.678 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.372 9.961 13.269 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.616 11.165 13.620 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.464 10.710 17.111 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.230 11.587 15.782 1.00 0.00 H new ATOM 398 N ILE A 26 -3.029 9.510 10.004 1.00 0.00 N ATOM 399 CA ILE A 26 -2.989 9.956 8.620 1.00 0.00 C ATOM 400 C ILE A 26 -4.122 10.941 8.341 1.00 0.00 C ATOM 401 O ILE A 26 -3.984 11.841 7.513 1.00 0.00 O ATOM 402 CB ILE A 26 -3.092 8.763 7.642 1.00 0.00 C ATOM 403 CG1 ILE A 26 -1.897 7.822 7.827 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.173 9.247 6.200 1.00 0.00 C ATOM 405 CD1 ILE A 26 -0.578 8.422 7.390 1.00 0.00 C ATOM 0 H ILE A 26 -3.358 8.552 10.128 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.031 10.452 8.464 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.007 8.215 7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.827 7.539 8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.075 6.907 7.262 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.245 8.389 5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.054 9.878 6.077 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.279 9.821 5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.222 7.699 7.550 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.628 8.679 6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.376 9.321 7.973 1.00 0.00 H new ATOM 417 N LYS A 27 -5.240 10.767 9.040 1.00 0.00 N ATOM 418 CA LYS A 27 -6.390 11.647 8.867 1.00 0.00 C ATOM 419 C LYS A 27 -6.356 12.786 9.878 1.00 0.00 C ATOM 420 O LYS A 27 -6.798 13.900 9.591 1.00 0.00 O ATOM 421 CB LYS A 27 -7.692 10.858 9.008 1.00 0.00 C ATOM 422 CG LYS A 27 -8.749 11.246 7.985 1.00 0.00 C ATOM 423 CD LYS A 27 -9.941 11.926 8.640 1.00 0.00 C ATOM 424 CE LYS A 27 -11.230 11.632 7.894 1.00 0.00 C ATOM 425 NZ LYS A 27 -12.204 12.752 8.004 1.00 0.00 N ATOM 0 H LYS A 27 -5.373 10.027 9.729 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.343 12.073 7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.476 9.794 8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.094 11.011 10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.311 11.914 7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.085 10.356 7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.032 11.588 9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.775 13.003 8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.007 11.447 6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.679 10.721 8.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.070 12.511 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.437 12.912 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.786 13.616 7.603 1.00 0.00 H new ATOM 439 N ALA A 28 -5.829 12.501 11.064 1.00 0.00 N ATOM 440 CA ALA A 28 -5.735 13.503 12.119 1.00 0.00 C ATOM 441 C ALA A 28 -4.677 14.549 11.787 1.00 0.00 C ATOM 442 O ALA A 28 -4.783 15.705 12.197 1.00 0.00 O ATOM 443 CB ALA A 28 -5.424 12.837 13.452 1.00 0.00 C ATOM 0 H ALA A 28 -5.461 11.585 11.319 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.697 14.009 12.195 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.356 13.596 14.231 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.217 12.132 13.700 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.475 12.305 13.380 1.00 0.00 H new ATOM 449 N PHE A 29 -3.657 14.137 11.040 1.00 0.00 N ATOM 450 CA PHE A 29 -2.580 15.041 10.652 1.00 0.00 C ATOM 451 C PHE A 29 -2.994 15.900 9.461 1.00 0.00 C ATOM 452 O PHE A 29 -2.681 17.090 9.404 1.00 0.00 O ATOM 453 CB PHE A 29 -1.317 14.248 10.312 1.00 0.00 C ATOM 454 CG PHE A 29 -0.501 13.874 11.516 1.00 0.00 C ATOM 455 CD1 PHE A 29 -1.088 13.234 12.596 1.00 0.00 C ATOM 456 CD2 PHE A 29 0.853 14.162 11.567 1.00 0.00 C ATOM 457 CE1 PHE A 29 -0.340 12.888 13.705 1.00 0.00 C ATOM 458 CE2 PHE A 29 1.607 13.819 12.674 1.00 0.00 C ATOM 459 CZ PHE A 29 1.009 13.181 13.744 1.00 0.00 C ATOM 0 H PHE A 29 -3.554 13.184 10.692 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.370 15.699 11.495 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.600 13.340 9.779 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.700 14.837 9.633 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.143 13.003 12.571 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.325 14.660 10.733 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.810 12.389 14.540 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.662 14.049 12.702 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.596 12.912 14.610 1.00 0.00 H new ATOM 469 N GLY A 30 -3.703 15.292 8.515 1.00 0.00 N ATOM 470 CA GLY A 30 -4.150 16.022 7.343 1.00 0.00 C ATOM 471 C GLY A 30 -3.301 15.747 6.115 1.00 0.00 C ATOM 472 O GLY A 30 -2.595 16.633 5.631 1.00 0.00 O ATOM 0 H GLY A 30 -3.975 14.309 8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.185 15.757 7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.133 17.090 7.558 1.00 0.00 H new ATOM 476 N LEU A 31 -3.373 14.521 5.607 1.00 0.00 N ATOM 477 CA LEU A 31 -2.609 14.139 4.425 1.00 0.00 C ATOM 478 C LEU A 31 -3.400 13.157 3.565 1.00 0.00 C ATOM 479 O LEU A 31 -2.831 12.259 2.943 1.00 0.00 O ATOM 480 CB LEU A 31 -1.268 13.520 4.826 1.00 0.00 C ATOM 481 CG LEU A 31 -1.330 12.546 6.003 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.397 11.365 5.776 1.00 0.00 C ATOM 483 CD2 LEU A 31 -0.987 13.259 7.302 1.00 0.00 C ATOM 0 H LEU A 31 -3.952 13.776 5.995 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.419 15.040 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.854 12.998 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.575 14.323 5.075 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.348 12.164 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.457 10.685 6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.691 10.838 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.627 11.725 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.036 12.551 8.129 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.020 13.671 7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.699 14.067 7.473 1.00 0.00 H new ATOM 495 N GLN A 32 -4.716 13.339 3.531 1.00 0.00 N ATOM 496 CA GLN A 32 -5.591 12.475 2.746 1.00 0.00 C ATOM 497 C GLN A 32 -5.354 12.661 1.249 1.00 0.00 C ATOM 498 O GLN A 32 -5.814 11.859 0.437 1.00 0.00 O ATOM 499 CB GLN A 32 -7.057 12.758 3.083 1.00 0.00 C ATOM 500 CG GLN A 32 -7.919 11.507 3.136 1.00 0.00 C ATOM 501 CD GLN A 32 -9.133 11.595 2.231 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.007 11.732 1.015 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.319 11.516 2.823 1.00 0.00 N ATOM 0 H GLN A 32 -5.201 14.079 4.039 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.358 11.441 3.001 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.109 13.266 4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.467 13.441 2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.318 10.644 2.849 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.247 11.340 4.162 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.377 11.402 3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.172 11.569 2.266 1.00 0.00 H new ATOM 512 N ASP A 33 -4.635 13.722 0.887 1.00 0.00 N ATOM 513 CA ASP A 33 -4.341 14.002 -0.514 1.00 0.00 C ATOM 514 C ASP A 33 -3.189 13.134 -1.012 1.00 0.00 C ATOM 515 O ASP A 33 -3.054 12.898 -2.212 1.00 0.00 O ATOM 516 CB ASP A 33 -3.999 15.481 -0.699 1.00 0.00 C ATOM 517 CG ASP A 33 -5.227 16.330 -0.964 1.00 0.00 C ATOM 518 OD1 ASP A 33 -6.100 15.885 -1.738 1.00 0.00 O ATOM 519 OD2 ASP A 33 -5.316 17.438 -0.395 1.00 0.00 O ATOM 0 H ASP A 33 -4.247 14.399 1.544 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.229 13.766 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.493 15.848 0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.300 15.588 -1.529 1.00 0.00 H new ATOM 524 N LYS A 34 -2.364 12.658 -0.084 1.00 0.00 N ATOM 525 CA LYS A 34 -1.228 11.813 -0.434 1.00 0.00 C ATOM 526 C LYS A 34 -1.664 10.356 -0.560 1.00 0.00 C ATOM 527 O LYS A 34 -1.363 9.691 -1.552 1.00 0.00 O ATOM 528 CB LYS A 34 -0.123 11.944 0.617 1.00 0.00 C ATOM 529 CG LYS A 34 1.021 12.848 0.188 1.00 0.00 C ATOM 530 CD LYS A 34 0.646 14.316 0.313 1.00 0.00 C ATOM 531 CE LYS A 34 0.739 14.794 1.754 1.00 0.00 C ATOM 532 NZ LYS A 34 -0.006 16.066 1.967 1.00 0.00 N ATOM 0 H LYS A 34 -2.461 12.843 0.914 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.837 12.143 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.555 12.332 1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.272 10.953 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.899 12.642 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.294 12.627 -0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.306 14.916 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.368 14.466 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.342 14.026 2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.786 14.937 2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.082 16.358 2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.389 16.807 1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.010 15.923 1.736 1.00 0.00 H new ATOM 546 N ILE A 35 -2.379 9.867 0.447 1.00 0.00 N ATOM 547 CA ILE A 35 -2.862 8.491 0.446 1.00 0.00 C ATOM 548 C ILE A 35 -4.294 8.418 -0.074 1.00 0.00 C ATOM 549 O ILE A 35 -5.072 9.355 0.093 1.00 0.00 O ATOM 550 CB ILE A 35 -2.808 7.869 1.854 1.00 0.00 C ATOM 551 CG1 ILE A 35 -3.534 8.764 2.864 1.00 0.00 C ATOM 552 CG2 ILE A 35 -1.366 7.641 2.277 1.00 0.00 C ATOM 553 CD1 ILE A 35 -4.636 8.051 3.618 1.00 0.00 C ATOM 0 H ILE A 35 -2.637 10.403 1.275 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.204 7.926 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.315 6.904 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.809 9.155 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.958 9.620 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.345 7.201 3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.882 6.965 1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.835 8.593 2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.107 8.744 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.381 7.684 2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.215 7.211 4.170 1.00 0.00 H new ATOM 565 N PHE A 36 -4.636 7.299 -0.706 1.00 0.00 N ATOM 566 CA PHE A 36 -5.978 7.116 -1.249 1.00 0.00 C ATOM 567 C PHE A 36 -6.476 5.692 -1.024 1.00 0.00 C ATOM 568 O PHE A 36 -7.609 5.484 -0.591 1.00 0.00 O ATOM 569 CB PHE A 36 -6.002 7.429 -2.746 1.00 0.00 C ATOM 570 CG PHE A 36 -5.149 8.603 -3.134 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.536 9.894 -2.817 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.961 8.410 -3.818 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.750 10.974 -3.176 1.00 0.00 C ATOM 574 CE2 PHE A 36 -3.172 9.485 -4.180 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.567 10.768 -3.858 1.00 0.00 C ATOM 0 H PHE A 36 -4.007 6.510 -0.854 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.638 7.806 -0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.666 6.550 -3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.030 7.623 -3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.461 10.059 -2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.647 7.408 -4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.061 11.977 -2.923 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.248 9.322 -4.714 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.951 11.610 -4.139 1.00 0.00 H new ATOM 585 N GLN A 37 -5.630 4.715 -1.332 1.00 0.00 N ATOM 586 CA GLN A 37 -6.002 3.314 -1.172 1.00 0.00 C ATOM 587 C GLN A 37 -5.103 2.603 -0.165 1.00 0.00 C ATOM 588 O GLN A 37 -3.979 3.031 0.097 1.00 0.00 O ATOM 589 CB GLN A 37 -5.947 2.595 -2.522 1.00 0.00 C ATOM 590 CG GLN A 37 -7.222 1.843 -2.859 1.00 0.00 C ATOM 591 CD GLN A 37 -7.141 1.113 -4.186 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.925 1.862 -5.262 1.00 0.00 O flip ATOM 593 NE2 GLN A 37 -7.274 -0.109 -4.245 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.688 4.866 -1.692 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.022 3.285 -0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.747 3.325 -3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.112 1.895 -2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.435 1.125 -2.067 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.056 2.545 -2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.439 -0.646 -3.393 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.220 -0.585 -5.145 1.00 0.00 H new ATOM 602 N VAL A 38 -5.614 1.510 0.393 1.00 0.00 N ATOM 603 CA VAL A 38 -4.875 0.719 1.370 1.00 0.00 C ATOM 604 C VAL A 38 -5.399 -0.712 1.407 1.00 0.00 C ATOM 605 O VAL A 38 -6.454 -0.984 1.980 1.00 0.00 O ATOM 606 CB VAL A 38 -4.974 1.328 2.783 1.00 0.00 C ATOM 607 CG1 VAL A 38 -4.010 2.495 2.932 1.00 0.00 C ATOM 608 CG2 VAL A 38 -6.402 1.764 3.082 1.00 0.00 C ATOM 0 H VAL A 38 -6.545 1.150 0.183 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.830 0.720 1.061 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.695 0.562 3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.095 2.911 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.990 2.147 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.253 3.264 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.450 2.191 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.714 2.512 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.066 0.901 3.023 1.00 0.00 H new ATOM 618 N LEU A 39 -4.660 -1.624 0.781 1.00 0.00 N ATOM 619 CA LEU A 39 -5.056 -3.027 0.733 1.00 0.00 C ATOM 620 C LEU A 39 -4.087 -3.899 1.521 1.00 0.00 C ATOM 621 O LEU A 39 -2.911 -3.566 1.668 1.00 0.00 O ATOM 622 CB LEU A 39 -5.126 -3.503 -0.719 1.00 0.00 C ATOM 623 CG LEU A 39 -6.478 -3.300 -1.405 1.00 0.00 C ATOM 624 CD1 LEU A 39 -7.530 -4.209 -0.786 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.906 -1.844 -1.313 1.00 0.00 C ATOM 0 H LEU A 39 -3.785 -1.416 0.301 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.042 -3.116 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.362 -2.979 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.876 -4.564 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.376 -3.562 -2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.486 -4.052 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.226 -5.249 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.632 -3.978 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.870 -1.716 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.993 -1.556 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.162 -1.215 -1.802 1.00 0.00 H new ATOM 637 N ILE A 40 -4.590 -5.024 2.021 1.00 0.00 N ATOM 638 CA ILE A 40 -3.772 -5.952 2.789 1.00 0.00 C ATOM 639 C ILE A 40 -3.307 -7.116 1.913 1.00 0.00 C ATOM 640 O ILE A 40 -4.120 -7.775 1.266 1.00 0.00 O ATOM 641 CB ILE A 40 -4.540 -6.512 4.002 1.00 0.00 C ATOM 642 CG1 ILE A 40 -5.147 -5.371 4.822 1.00 0.00 C ATOM 643 CG2 ILE A 40 -3.622 -7.361 4.868 1.00 0.00 C ATOM 644 CD1 ILE A 40 -6.454 -5.735 5.490 1.00 0.00 C ATOM 0 H ILE A 40 -5.561 -5.314 1.907 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.907 -5.394 3.147 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.350 -7.144 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.432 -5.063 5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.308 -4.512 4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.181 -7.748 5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.234 -8.193 4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.792 -6.751 5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.826 -4.879 6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.185 -6.015 4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.295 -6.574 6.168 1.00 0.00 H new ATOM 656 N PRO A 41 -1.989 -7.384 1.877 1.00 0.00 N ATOM 657 CA PRO A 41 -1.427 -8.471 1.069 1.00 0.00 C ATOM 658 C PRO A 41 -1.935 -9.843 1.506 1.00 0.00 C ATOM 659 O PRO A 41 -1.233 -10.585 2.195 1.00 0.00 O ATOM 660 CB PRO A 41 0.083 -8.359 1.306 1.00 0.00 C ATOM 661 CG PRO A 41 0.224 -7.589 2.572 1.00 0.00 C ATOM 662 CD PRO A 41 -0.945 -6.649 2.613 1.00 0.00 C ATOM 0 HA PRO A 41 -1.712 -8.382 0.021 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.542 -9.344 1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.575 -7.848 0.478 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.221 -8.254 3.436 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.166 -7.042 2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.251 -6.430 3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.713 -5.695 2.139 1.00 0.00 H new ATOM 670 N THR A 42 -3.155 -10.176 1.096 1.00 0.00 N ATOM 671 CA THR A 42 -3.753 -11.460 1.440 1.00 0.00 C ATOM 672 C THR A 42 -4.601 -11.993 0.291 1.00 0.00 C ATOM 673 O THR A 42 -4.909 -11.269 -0.656 1.00 0.00 O ATOM 674 CB THR A 42 -4.610 -11.330 2.701 1.00 0.00 C ATOM 675 OG1 THR A 42 -5.573 -10.304 2.548 1.00 0.00 O ATOM 676 CG2 THR A 42 -3.803 -11.022 3.945 1.00 0.00 C ATOM 0 H THR A 42 -3.748 -9.574 0.525 1.00 0.00 H new ATOM 0 HA THR A 42 -2.944 -12.166 1.630 1.00 0.00 H new ATOM 0 HB THR A 42 -5.086 -12.302 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.112 -10.237 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.472 -10.943 4.802 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.083 -11.822 4.119 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.273 -10.079 3.810 1.00 0.00 H new ATOM 948 N LYS A 59 -5.447 -16.377 3.352 1.00 0.00 N ATOM 949 CA LYS A 59 -4.072 -16.366 3.839 1.00 0.00 C ATOM 950 C LYS A 59 -3.351 -15.098 3.394 1.00 0.00 C ATOM 951 O LYS A 59 -3.886 -14.309 2.617 1.00 0.00 O ATOM 952 CB LYS A 59 -3.318 -17.602 3.339 1.00 0.00 C ATOM 953 CG LYS A 59 -3.411 -17.814 1.837 1.00 0.00 C ATOM 954 CD LYS A 59 -2.871 -19.176 1.433 1.00 0.00 C ATOM 955 CE LYS A 59 -3.913 -20.265 1.625 1.00 0.00 C ATOM 956 NZ LYS A 59 -3.287 -21.601 1.839 1.00 0.00 N ATOM 0 HA LYS A 59 -4.098 -16.385 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.268 -17.513 3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.710 -18.484 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.450 -17.724 1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.852 -17.032 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.558 -19.150 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.986 -19.409 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.543 -20.018 2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.563 -20.304 0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.031 -22.317 1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.706 -21.848 1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.687 -21.571 2.688 1.00 0.00 H new ATOM 970 N LYS A 60 -2.136 -14.905 3.898 1.00 0.00 N ATOM 971 CA LYS A 60 -1.347 -13.728 3.554 1.00 0.00 C ATOM 972 C LYS A 60 -0.296 -14.057 2.501 1.00 0.00 C ATOM 973 O LYS A 60 0.574 -14.900 2.721 1.00 0.00 O ATOM 974 CB LYS A 60 -0.671 -13.160 4.803 1.00 0.00 C ATOM 975 CG LYS A 60 -1.628 -12.445 5.743 1.00 0.00 C ATOM 976 CD LYS A 60 -1.153 -12.521 7.184 1.00 0.00 C ATOM 977 CE LYS A 60 -1.105 -13.957 7.680 1.00 0.00 C ATOM 978 NZ LYS A 60 -1.521 -14.068 9.105 1.00 0.00 N ATOM 0 H LYS A 60 -1.678 -15.547 4.544 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.024 -12.981 3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.184 -13.972 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.112 -12.465 4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.721 -11.401 5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.620 -12.890 5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.162 -12.074 7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.820 -11.938 7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.756 -14.576 7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.093 -14.346 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.474 -15.063 9.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.884 -13.498 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.496 -13.720 9.210 1.00 0.00 H new ATOM 992 N LEU A 61 -0.379 -13.382 1.359 1.00 0.00 N ATOM 993 CA LEU A 61 0.571 -13.599 0.274 1.00 0.00 C ATOM 994 C LEU A 61 1.904 -12.930 0.591 1.00 0.00 C ATOM 995 O LEU A 61 2.968 -13.523 0.406 1.00 0.00 O ATOM 996 CB LEU A 61 0.009 -13.055 -1.042 1.00 0.00 C ATOM 997 CG LEU A 61 -1.052 -13.934 -1.703 1.00 0.00 C ATOM 998 CD1 LEU A 61 -1.757 -13.176 -2.817 1.00 0.00 C ATOM 999 CD2 LEU A 61 -0.426 -15.212 -2.240 1.00 0.00 C ATOM 0 H LEU A 61 -1.093 -12.681 1.161 1.00 0.00 H new ATOM 0 HA LEU A 61 0.735 -14.671 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.420 -12.070 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.833 -12.917 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.793 -14.203 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.509 -13.819 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.240 -12.290 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.029 -12.876 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.196 -15.826 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.336 -14.962 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.031 -15.766 -1.420 1.00 0.00 H new ATOM 1011 N PHE A 62 1.836 -11.695 1.075 1.00 0.00 N ATOM 1012 CA PHE A 62 3.034 -10.942 1.430 1.00 0.00 C ATOM 1013 C PHE A 62 3.022 -10.591 2.916 1.00 0.00 C ATOM 1014 O PHE A 62 2.859 -9.428 3.290 1.00 0.00 O ATOM 1015 CB PHE A 62 3.135 -9.666 0.589 1.00 0.00 C ATOM 1016 CG PHE A 62 2.786 -9.864 -0.860 1.00 0.00 C ATOM 1017 CD1 PHE A 62 1.462 -9.955 -1.262 1.00 0.00 C ATOM 1018 CD2 PHE A 62 3.781 -9.952 -1.820 1.00 0.00 C ATOM 1019 CE1 PHE A 62 1.138 -10.131 -2.594 1.00 0.00 C ATOM 1020 CE2 PHE A 62 3.465 -10.130 -3.154 1.00 0.00 C ATOM 1021 CZ PHE A 62 2.140 -10.219 -3.540 1.00 0.00 C ATOM 0 H PHE A 62 0.962 -11.193 1.231 1.00 0.00 H new ATOM 0 HA PHE A 62 3.904 -11.565 1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.474 -8.910 1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.150 -9.276 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.675 -9.888 -0.526 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.817 -9.881 -1.522 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.103 -10.200 -2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.250 -10.199 -3.892 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.889 -10.357 -4.581 1.00 0.00 H new ATOM 1031 N PRO A 63 3.196 -11.599 3.789 1.00 0.00 N ATOM 1032 CA PRO A 63 3.204 -11.398 5.242 1.00 0.00 C ATOM 1033 C PRO A 63 4.241 -10.371 5.680 1.00 0.00 C ATOM 1034 O PRO A 63 5.360 -10.343 5.168 1.00 0.00 O ATOM 1035 CB PRO A 63 3.548 -12.785 5.806 1.00 0.00 C ATOM 1036 CG PRO A 63 4.080 -13.564 4.648 1.00 0.00 C ATOM 1037 CD PRO A 63 3.399 -13.010 3.432 1.00 0.00 C ATOM 0 HA PRO A 63 2.250 -11.010 5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.288 -12.712 6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.667 -13.266 6.231 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.162 -13.460 4.571 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.870 -14.627 4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.015 -13.117 2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.455 -13.516 3.231 1.00 0.00 H new ATOM 1045 N GLY A 64 3.857 -9.526 6.632 1.00 0.00 N ATOM 1046 CA GLY A 64 4.762 -8.505 7.127 1.00 0.00 C ATOM 1047 C GLY A 64 4.848 -7.302 6.206 1.00 0.00 C ATOM 1048 O GLY A 64 5.765 -6.489 6.324 1.00 0.00 O ATOM 0 H GLY A 64 2.935 -9.530 7.069 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.431 -8.179 8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.756 -8.935 7.250 1.00 0.00 H new ATOM 1052 N TYR A 65 3.895 -7.187 5.284 1.00 0.00 N ATOM 1053 CA TYR A 65 3.875 -6.072 4.345 1.00 0.00 C ATOM 1054 C TYR A 65 2.476 -5.474 4.229 1.00 0.00 C ATOM 1055 O TYR A 65 1.484 -6.119 4.568 1.00 0.00 O ATOM 1056 CB TYR A 65 4.356 -6.530 2.966 1.00 0.00 C ATOM 1057 CG TYR A 65 5.851 -6.737 2.880 1.00 0.00 C ATOM 1058 CD1 TYR A 65 6.431 -7.926 3.300 1.00 0.00 C ATOM 1059 CD2 TYR A 65 6.680 -5.744 2.373 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.799 -8.120 3.219 1.00 0.00 C ATOM 1061 CE2 TYR A 65 8.047 -5.930 2.289 1.00 0.00 C ATOM 1062 CZ TYR A 65 8.600 -7.120 2.713 1.00 0.00 C ATOM 1063 OH TYR A 65 9.961 -7.311 2.630 1.00 0.00 O ATOM 0 H TYR A 65 3.129 -7.851 5.168 1.00 0.00 H new ATOM 0 HA TYR A 65 4.548 -5.304 4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.854 -7.462 2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.057 -5.790 2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.805 -8.712 3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.249 -4.812 2.039 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.236 -9.050 3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.678 -5.148 1.894 1.00 0.00 H new ATOM 0 HH TYR A 65 10.409 -6.443 2.547 1.00 0.00 H new ATOM 1073 N LEU A 66 2.408 -4.241 3.738 1.00 0.00 N ATOM 1074 CA LEU A 66 1.136 -3.554 3.562 1.00 0.00 C ATOM 1075 C LEU A 66 1.176 -2.676 2.318 1.00 0.00 C ATOM 1076 O LEU A 66 2.121 -1.915 2.114 1.00 0.00 O ATOM 1077 CB LEU A 66 0.800 -2.708 4.796 1.00 0.00 C ATOM 1078 CG LEU A 66 1.758 -1.547 5.074 1.00 0.00 C ATOM 1079 CD1 LEU A 66 0.985 -0.307 5.499 1.00 0.00 C ATOM 1080 CD2 LEU A 66 2.774 -1.936 6.138 1.00 0.00 C ATOM 0 H LEU A 66 3.223 -3.696 3.454 1.00 0.00 H new ATOM 0 HA LEU A 66 0.357 -4.306 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.206 -2.307 4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.783 -3.360 5.669 1.00 0.00 H new ATOM 0 HG LEU A 66 2.296 -1.317 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.682 0.508 5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.298 -0.016 4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.420 -0.524 6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.447 -1.098 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.254 -2.194 7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.350 -2.795 5.794 1.00 0.00 H new ATOM 1092 N PHE A 67 0.152 -2.795 1.480 1.00 0.00 N ATOM 1093 CA PHE A 67 0.081 -2.016 0.247 1.00 0.00 C ATOM 1094 C PHE A 67 -0.710 -0.728 0.453 1.00 0.00 C ATOM 1095 O PHE A 67 -1.868 -0.758 0.867 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.550 -2.851 -0.869 1.00 0.00 C ATOM 1097 CG PHE A 67 0.141 -4.167 -1.102 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.522 -4.261 -1.037 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.591 -5.308 -1.385 1.00 0.00 C ATOM 1100 CE1 PHE A 67 2.160 -5.469 -1.249 1.00 0.00 C ATOM 1101 CE2 PHE A 67 0.040 -6.518 -1.599 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.418 -6.599 -1.531 1.00 0.00 C ATOM 0 H PHE A 67 -0.639 -3.421 1.630 1.00 0.00 H new ATOM 0 HA PHE A 67 1.097 -1.746 -0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.596 -3.038 -0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.537 -2.275 -1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.107 -3.380 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.668 -5.251 -1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.237 -5.529 -1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.543 -7.400 -1.819 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.913 -7.544 -1.698 1.00 0.00 H new ATOM 1112 N ILE A 68 -0.073 0.400 0.153 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.711 1.703 0.296 1.00 0.00 C ATOM 1114 C ILE A 68 -0.631 2.488 -1.008 1.00 0.00 C ATOM 1115 O ILE A 68 0.457 2.829 -1.471 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.059 2.531 1.420 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.154 1.672 2.669 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.915 3.748 1.745 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.597 1.607 3.119 1.00 0.00 C ATOM 0 H ILE A 68 0.886 0.437 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.755 1.522 0.552 1.00 0.00 H new ATOM 0 HB ILE A 68 0.916 2.876 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.454 2.070 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.202 0.661 2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.442 4.323 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.014 4.371 0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.903 3.422 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.673 0.982 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.208 1.181 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.952 2.611 3.350 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.789 2.774 -1.596 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.845 3.517 -2.850 1.00 0.00 C ATOM 1133 C GLN A 69 -1.679 5.013 -2.605 1.00 0.00 C ATOM 1134 O GLN A 69 -2.624 5.789 -2.766 1.00 0.00 O ATOM 1135 CB GLN A 69 -3.168 3.249 -3.566 1.00 0.00 C ATOM 1136 CG GLN A 69 -3.125 3.553 -5.053 1.00 0.00 C ATOM 1137 CD GLN A 69 -4.507 3.627 -5.673 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.851 2.830 -6.545 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -5.306 4.587 -5.224 1.00 0.00 N ATOM 0 H GLN A 69 -2.700 2.503 -1.225 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.023 3.178 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.443 2.204 -3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.951 3.850 -3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.608 4.500 -5.212 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.544 2.783 -5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.978 5.226 -4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.248 4.686 -5.604 1.00 0.00 H new ATOM 1148 N MET A 70 -0.470 5.409 -2.220 1.00 0.00 N ATOM 1149 CA MET A 70 -0.169 6.811 -1.959 1.00 0.00 C ATOM 1150 C MET A 70 0.344 7.499 -3.220 1.00 0.00 C ATOM 1151 O MET A 70 0.231 6.959 -4.320 1.00 0.00 O ATOM 1152 CB MET A 70 0.857 6.935 -0.828 1.00 0.00 C ATOM 1153 CG MET A 70 2.236 6.410 -1.195 1.00 0.00 C ATOM 1154 SD MET A 70 3.459 6.711 0.096 1.00 0.00 S ATOM 1155 CE MET A 70 2.716 5.843 1.475 1.00 0.00 C ATOM 0 H MET A 70 0.318 4.777 -2.082 1.00 0.00 H new ATOM 0 HA MET A 70 -1.090 7.306 -1.651 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.942 7.983 -0.539 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.491 6.392 0.044 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.173 5.339 -1.388 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.566 6.882 -2.120 1.00 0.00 H new ATOM 0 HE1 MET A 70 3.485 5.596 2.207 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.962 6.478 1.941 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.248 4.926 1.118 1.00 0.00 H new ATOM 1165 N ASP A 71 0.910 8.690 -3.055 1.00 0.00 N ATOM 1166 CA ASP A 71 1.443 9.444 -4.186 1.00 0.00 C ATOM 1167 C ASP A 71 2.443 10.495 -3.716 1.00 0.00 C ATOM 1168 O ASP A 71 2.062 11.595 -3.317 1.00 0.00 O ATOM 1169 CB ASP A 71 0.307 10.113 -4.962 1.00 0.00 C ATOM 1170 CG ASP A 71 0.804 10.881 -6.170 1.00 0.00 C ATOM 1171 OD1 ASP A 71 1.017 10.251 -7.228 1.00 0.00 O ATOM 1172 OD2 ASP A 71 0.982 12.112 -6.059 1.00 0.00 O ATOM 0 H ASP A 71 1.012 9.154 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 71 1.960 8.746 -4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.404 9.353 -5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.231 10.792 -4.300 1.00 0.00 H new ATOM 1177 N LEU A 72 3.726 10.151 -3.772 1.00 0.00 N ATOM 1178 CA LEU A 72 4.781 11.067 -3.357 1.00 0.00 C ATOM 1179 C LEU A 72 5.132 12.034 -4.484 1.00 0.00 C ATOM 1180 O LEU A 72 5.533 13.171 -4.238 1.00 0.00 O ATOM 1181 CB LEU A 72 6.026 10.286 -2.932 1.00 0.00 C ATOM 1182 CG LEU A 72 5.788 9.220 -1.862 1.00 0.00 C ATOM 1183 CD1 LEU A 72 7.045 8.392 -1.643 1.00 0.00 C ATOM 1184 CD2 LEU A 72 5.340 9.865 -0.557 1.00 0.00 C ATOM 0 H LEU A 72 4.059 9.245 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 72 4.416 11.643 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.453 9.806 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.770 10.991 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 72 4.996 8.556 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.856 7.639 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.324 7.901 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.857 9.042 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.175 9.092 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.111 10.552 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.413 10.414 -0.722 1.00 0.00 H new ATOM 1245 N GLU A 77 12.913 13.451 -2.360 1.00 0.00 N ATOM 1246 CA GLU A 77 12.447 13.483 -0.978 1.00 0.00 C ATOM 1247 C GLU A 77 10.934 13.280 -0.907 1.00 0.00 C ATOM 1248 O GLU A 77 10.171 14.049 -1.491 1.00 0.00 O ATOM 1249 CB GLU A 77 12.823 14.816 -0.326 1.00 0.00 C ATOM 1250 CG GLU A 77 14.317 14.975 -0.086 1.00 0.00 C ATOM 1251 CD GLU A 77 14.724 14.605 1.327 1.00 0.00 C ATOM 1252 OE1 GLU A 77 14.135 15.159 2.278 1.00 0.00 O ATOM 1253 OE2 GLU A 77 15.633 13.762 1.482 1.00 0.00 O ATOM 0 HA GLU A 77 12.930 12.669 -0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.476 15.632 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.299 14.907 0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.863 14.350 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.605 16.007 -0.284 1.00 0.00 H new ATOM 1260 N PRO A 78 10.474 12.236 -0.190 1.00 0.00 N ATOM 1261 CA PRO A 78 9.042 11.944 -0.053 1.00 0.00 C ATOM 1262 C PRO A 78 8.254 13.140 0.473 1.00 0.00 C ATOM 1263 O PRO A 78 8.827 14.184 0.787 1.00 0.00 O ATOM 1264 CB PRO A 78 9.002 10.794 0.956 1.00 0.00 C ATOM 1265 CG PRO A 78 10.343 10.153 0.858 1.00 0.00 C ATOM 1266 CD PRO A 78 11.307 11.263 0.542 1.00 0.00 C ATOM 0 HA PRO A 78 8.586 11.700 -1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.812 11.160 1.965 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.207 10.087 0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.609 9.659 1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.356 9.391 0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.732 11.697 1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.142 10.911 -0.064 1.00 0.00 H new ATOM 1274 N ASN A 79 6.938 12.982 0.566 1.00 0.00 N ATOM 1275 CA ASN A 79 6.071 14.048 1.053 1.00 0.00 C ATOM 1276 C ASN A 79 5.897 13.962 2.567 1.00 0.00 C ATOM 1277 O ASN A 79 6.587 13.195 3.239 1.00 0.00 O ATOM 1278 CB ASN A 79 4.706 13.977 0.365 1.00 0.00 C ATOM 1279 CG ASN A 79 4.503 15.101 -0.632 1.00 0.00 C ATOM 1280 OD1 ASN A 79 4.449 14.872 -1.840 1.00 0.00 O ATOM 1281 ND2 ASN A 79 4.392 16.326 -0.128 1.00 0.00 N ATOM 0 H ASN A 79 6.448 12.125 0.310 1.00 0.00 H new ATOM 0 HA ASN A 79 6.541 15.002 0.815 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.609 13.019 -0.146 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.920 14.017 1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.256 17.123 -0.750 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.443 16.469 0.881 1.00 0.00 H new ATOM 1288 N GLU A 80 4.972 14.754 3.096 1.00 0.00 N ATOM 1289 CA GLU A 80 4.704 14.768 4.531 1.00 0.00 C ATOM 1290 C GLU A 80 4.104 13.441 4.983 1.00 0.00 C ATOM 1291 O GLU A 80 4.282 13.024 6.126 1.00 0.00 O ATOM 1292 CB GLU A 80 3.750 15.913 4.887 1.00 0.00 C ATOM 1293 CG GLU A 80 4.020 17.199 4.121 1.00 0.00 C ATOM 1294 CD GLU A 80 5.472 17.632 4.198 1.00 0.00 C ATOM 1295 OE1 GLU A 80 6.347 16.850 3.772 1.00 0.00 O ATOM 1296 OE2 GLU A 80 5.732 18.753 4.682 1.00 0.00 O ATOM 0 H GLU A 80 4.394 15.396 2.553 1.00 0.00 H new ATOM 0 HA GLU A 80 5.652 14.919 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.726 15.594 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.823 16.116 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.741 17.060 3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.387 17.993 4.517 1.00 0.00 H new ATOM 1303 N ALA A 81 3.390 12.782 4.074 1.00 0.00 N ATOM 1304 CA ALA A 81 2.760 11.501 4.372 1.00 0.00 C ATOM 1305 C ALA A 81 3.764 10.504 4.941 1.00 0.00 C ATOM 1306 O ALA A 81 3.400 9.609 5.702 1.00 0.00 O ATOM 1307 CB ALA A 81 2.105 10.938 3.119 1.00 0.00 C ATOM 0 H ALA A 81 3.234 13.116 3.123 1.00 0.00 H new ATOM 0 HA ALA A 81 1.995 11.669 5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.637 9.981 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.347 11.635 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.861 10.794 2.347 1.00 0.00 H new ATOM 1313 N TRP A 82 5.030 10.664 4.567 1.00 0.00 N ATOM 1314 CA TRP A 82 6.084 9.777 5.043 1.00 0.00 C ATOM 1315 C TRP A 82 6.513 10.147 6.459 1.00 0.00 C ATOM 1316 O TRP A 82 6.876 9.282 7.254 1.00 0.00 O ATOM 1317 CB TRP A 82 7.289 9.830 4.102 1.00 0.00 C ATOM 1318 CG TRP A 82 8.244 8.694 4.303 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.593 8.780 4.496 1.00 0.00 C ATOM 1320 CD2 TRP A 82 7.922 7.299 4.330 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.130 7.525 4.642 1.00 0.00 N ATOM 1322 CE2 TRP A 82 9.125 6.598 4.544 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.735 6.575 4.194 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 9.172 5.209 4.626 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 6.784 5.197 4.275 1.00 0.00 C ATOM 1326 CH2 TRP A 82 7.995 4.526 4.490 1.00 0.00 C ATOM 0 H TRP A 82 5.350 11.399 3.936 1.00 0.00 H new ATOM 0 HA TRP A 82 5.688 8.762 5.058 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.937 9.822 3.070 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.818 10.771 4.251 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.156 9.701 4.529 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.116 7.316 4.798 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.797 7.083 4.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.104 4.690 4.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.873 4.627 4.171 1.00 0.00 H new ATOM 0 HH2 TRP A 82 7.999 3.448 4.550 1.00 0.00 H new ATOM 1337 N GLU A 83 6.467 11.439 6.766 1.00 0.00 N ATOM 1338 CA GLU A 83 6.850 11.925 8.086 1.00 0.00 C ATOM 1339 C GLU A 83 5.939 11.347 9.166 1.00 0.00 C ATOM 1340 O GLU A 83 6.356 11.162 10.309 1.00 0.00 O ATOM 1341 CB GLU A 83 6.801 13.453 8.124 1.00 0.00 C ATOM 1342 CG GLU A 83 8.063 14.116 7.601 1.00 0.00 C ATOM 1343 CD GLU A 83 7.789 15.455 6.943 1.00 0.00 C ATOM 1344 OE1 GLU A 83 7.057 16.272 7.541 1.00 0.00 O ATOM 1345 OE2 GLU A 83 8.305 15.686 5.830 1.00 0.00 O ATOM 0 H GLU A 83 6.168 12.168 6.118 1.00 0.00 H new ATOM 0 HA GLU A 83 7.870 11.596 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.950 13.795 7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.629 13.777 9.150 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.763 14.257 8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.545 13.454 6.882 1.00 0.00 H new ATOM 1352 N VAL A 84 4.695 11.065 8.795 1.00 0.00 N ATOM 1353 CA VAL A 84 3.726 10.510 9.733 1.00 0.00 C ATOM 1354 C VAL A 84 3.882 8.999 9.857 1.00 0.00 C ATOM 1355 O VAL A 84 3.780 8.442 10.951 1.00 0.00 O ATOM 1356 CB VAL A 84 2.281 10.830 9.303 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.298 10.431 10.392 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.139 12.306 8.960 1.00 0.00 C ATOM 0 H VAL A 84 4.334 11.211 7.852 1.00 0.00 H new ATOM 0 HA VAL A 84 3.922 10.974 10.700 1.00 0.00 H new ATOM 0 HB VAL A 84 2.051 10.250 8.409 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.283 10.665 10.070 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.381 9.361 10.583 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.524 10.981 11.306 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.112 12.512 8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.389 12.908 9.833 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.814 12.556 8.142 1.00 0.00 H new ATOM 1368 N VAL A 85 4.127 8.338 8.731 1.00 0.00 N ATOM 1369 CA VAL A 85 4.296 6.890 8.714 1.00 0.00 C ATOM 1370 C VAL A 85 5.566 6.473 9.449 1.00 0.00 C ATOM 1371 O VAL A 85 5.556 5.538 10.249 1.00 0.00 O ATOM 1372 CB VAL A 85 4.349 6.345 7.273 1.00 0.00 C ATOM 1373 CG1 VAL A 85 4.376 4.824 7.275 1.00 0.00 C ATOM 1374 CG2 VAL A 85 3.171 6.861 6.461 1.00 0.00 C ATOM 0 H VAL A 85 4.213 8.783 7.817 1.00 0.00 H new ATOM 0 HA VAL A 85 3.430 6.467 9.223 1.00 0.00 H new ATOM 0 HB VAL A 85 5.267 6.701 6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.413 4.459 6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.256 4.476 7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.478 4.445 7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.227 6.465 5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.239 6.538 6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.201 7.950 6.427 1.00 0.00 H new ATOM 1384 N ARG A 86 6.662 7.171 9.170 1.00 0.00 N ATOM 1385 CA ARG A 86 7.940 6.872 9.805 1.00 0.00 C ATOM 1386 C ARG A 86 7.890 7.143 11.309 1.00 0.00 C ATOM 1387 O ARG A 86 8.757 6.690 12.058 1.00 0.00 O ATOM 1388 CB ARG A 86 9.056 7.697 9.162 1.00 0.00 C ATOM 1389 CG ARG A 86 10.452 7.281 9.600 1.00 0.00 C ATOM 1390 CD ARG A 86 11.075 6.299 8.623 1.00 0.00 C ATOM 1391 NE ARG A 86 10.943 4.915 9.077 1.00 0.00 N ATOM 1392 CZ ARG A 86 9.958 4.098 8.707 1.00 0.00 C ATOM 1393 NH1 ARG A 86 9.005 4.518 7.884 1.00 0.00 N ATOM 1394 NH2 ARG A 86 9.923 2.854 9.169 1.00 0.00 N ATOM 0 H ARG A 86 6.691 7.947 8.509 1.00 0.00 H new ATOM 0 HA ARG A 86 8.147 5.812 9.658 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.983 7.608 8.078 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.906 8.749 9.407 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.086 8.164 9.684 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.404 6.829 10.590 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.600 6.407 7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.130 6.538 8.492 1.00 0.00 H new ATOM 0 HE ARG A 86 11.650 4.553 9.717 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.023 5.474 7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.255 3.885 7.607 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.649 2.526 9.806 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.170 2.226 8.887 1.00 0.00 H new ATOM 1408 N GLY A 87 6.876 7.885 11.748 1.00 0.00 N ATOM 1409 CA GLY A 87 6.746 8.201 13.159 1.00 0.00 C ATOM 1410 C GLY A 87 5.607 7.456 13.832 1.00 0.00 C ATOM 1411 O GLY A 87 5.573 7.347 15.058 1.00 0.00 O ATOM 0 H GLY A 87 6.144 8.272 11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.680 7.961 13.667 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.588 9.274 13.272 1.00 0.00 H new ATOM 1415 N THR A 88 4.672 6.945 13.036 1.00 0.00 N ATOM 1416 CA THR A 88 3.531 6.214 13.576 1.00 0.00 C ATOM 1417 C THR A 88 3.992 4.999 14.382 1.00 0.00 C ATOM 1418 O THR A 88 4.861 4.247 13.940 1.00 0.00 O ATOM 1419 CB THR A 88 2.603 5.763 12.448 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.330 5.547 11.255 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.503 6.758 12.141 1.00 0.00 C ATOM 0 H THR A 88 4.682 7.023 12.019 1.00 0.00 H new ATOM 0 HA THR A 88 2.987 6.886 14.239 1.00 0.00 H new ATOM 0 HB THR A 88 2.147 4.840 12.805 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.228 5.220 11.474 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.882 6.375 11.331 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.890 6.908 13.029 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.945 7.708 11.841 1.00 0.00 H new ATOM 1429 N PRO A 89 3.417 4.787 15.582 1.00 0.00 N ATOM 1430 CA PRO A 89 3.781 3.654 16.441 1.00 0.00 C ATOM 1431 C PRO A 89 3.569 2.311 15.748 1.00 0.00 C ATOM 1432 O PRO A 89 4.272 1.340 16.026 1.00 0.00 O ATOM 1433 CB PRO A 89 2.838 3.786 17.643 1.00 0.00 C ATOM 1434 CG PRO A 89 2.397 5.208 17.636 1.00 0.00 C ATOM 1435 CD PRO A 89 2.373 5.628 16.195 1.00 0.00 C ATOM 0 HA PRO A 89 4.837 3.677 16.710 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.988 3.109 17.553 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.348 3.536 18.573 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.411 5.313 18.089 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.081 5.831 18.212 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.397 5.454 15.741 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.593 6.690 16.081 1.00 0.00 H new ATOM 1443 N GLY A 90 2.593 2.263 14.846 1.00 0.00 N ATOM 1444 CA GLY A 90 2.302 1.034 14.129 1.00 0.00 C ATOM 1445 C GLY A 90 3.511 0.483 13.397 1.00 0.00 C ATOM 1446 O GLY A 90 3.669 -0.731 13.272 1.00 0.00 O ATOM 0 H GLY A 90 1.998 3.054 14.599 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.936 0.286 14.832 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.501 1.217 13.413 1.00 0.00 H new ATOM 1450 N ILE A 91 4.367 1.377 12.915 1.00 0.00 N ATOM 1451 CA ILE A 91 5.568 0.972 12.196 1.00 0.00 C ATOM 1452 C ILE A 91 6.670 0.549 13.162 1.00 0.00 C ATOM 1453 O ILE A 91 7.020 1.286 14.082 1.00 0.00 O ATOM 1454 CB ILE A 91 6.093 2.107 11.292 1.00 0.00 C ATOM 1455 CG1 ILE A 91 4.984 2.595 10.358 1.00 0.00 C ATOM 1456 CG2 ILE A 91 7.300 1.639 10.488 1.00 0.00 C ATOM 1457 CD1 ILE A 91 4.414 1.503 9.478 1.00 0.00 C ATOM 0 H ILE A 91 4.251 2.386 13.009 1.00 0.00 H new ATOM 0 HA ILE A 91 5.293 0.122 11.572 1.00 0.00 H new ATOM 0 HB ILE A 91 6.406 2.937 11.925 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.181 3.027 10.955 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.376 3.392 9.727 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.655 2.454 9.857 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.095 1.334 11.169 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.015 0.793 9.862 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.633 1.919 8.842 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.206 1.087 8.855 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.992 0.716 10.103 1.00 0.00 H new ATOM 1567 N ARG A 100 13.652 2.786 2.499 1.00 0.00 N ATOM 1568 CA ARG A 100 12.634 2.040 3.227 1.00 0.00 C ATOM 1569 C ARG A 100 11.442 1.708 2.330 1.00 0.00 C ATOM 1570 O ARG A 100 11.049 0.547 2.219 1.00 0.00 O ATOM 1571 CB ARG A 100 12.166 2.829 4.453 1.00 0.00 C ATOM 1572 CG ARG A 100 13.276 3.114 5.453 1.00 0.00 C ATOM 1573 CD ARG A 100 13.026 4.411 6.205 1.00 0.00 C ATOM 1574 NE ARG A 100 13.533 5.572 5.478 1.00 0.00 N ATOM 1575 CZ ARG A 100 14.813 5.941 5.471 1.00 0.00 C ATOM 1576 NH1 ARG A 100 15.716 5.246 6.151 1.00 0.00 N ATOM 1577 NH2 ARG A 100 15.189 7.007 4.779 1.00 0.00 N ATOM 0 HA ARG A 100 13.082 1.103 3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.734 3.774 4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.373 2.272 4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.350 2.289 6.162 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.231 3.172 4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.956 4.530 6.377 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.502 4.360 7.184 1.00 0.00 H new ATOM 0 HE ARG A 100 12.868 6.133 4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 100 15.432 4.424 6.683 1.00 0.00 H new ATOM 0 HH12 ARG A 100 16.694 5.534 6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.499 7.543 4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 100 16.169 7.291 4.772 1.00 0.00 H new ATOM 1591 N PRO A 101 10.846 2.721 1.671 1.00 0.00 N ATOM 1592 CA PRO A 101 9.695 2.510 0.783 1.00 0.00 C ATOM 1593 C PRO A 101 10.049 1.657 -0.430 1.00 0.00 C ATOM 1594 O PRO A 101 11.178 1.694 -0.918 1.00 0.00 O ATOM 1595 CB PRO A 101 9.308 3.926 0.346 1.00 0.00 C ATOM 1596 CG PRO A 101 10.538 4.741 0.548 1.00 0.00 C ATOM 1597 CD PRO A 101 11.237 4.141 1.735 1.00 0.00 C ATOM 0 HA PRO A 101 8.890 1.974 1.286 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.989 3.944 -0.696 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.478 4.310 0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 101 11.175 4.713 -0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 101 10.289 5.787 0.728 1.00 0.00 H new ATOM 0 HD2 PRO A 101 12.318 4.265 1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.918 4.605 2.668 1.00 0.00 H new ATOM 1605 N VAL A 102 9.077 0.890 -0.910 1.00 0.00 N ATOM 1606 CA VAL A 102 9.286 0.027 -2.067 1.00 0.00 C ATOM 1607 C VAL A 102 8.023 -0.061 -2.922 1.00 0.00 C ATOM 1608 O VAL A 102 7.189 -0.944 -2.721 1.00 0.00 O ATOM 1609 CB VAL A 102 9.701 -1.393 -1.640 1.00 0.00 C ATOM 1610 CG1 VAL A 102 11.137 -1.403 -1.138 1.00 0.00 C ATOM 1611 CG2 VAL A 102 8.754 -1.931 -0.579 1.00 0.00 C ATOM 0 H VAL A 102 8.137 0.848 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 102 10.090 0.472 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 102 9.641 -2.045 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.412 -2.415 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.802 -1.065 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.227 -0.736 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.064 -2.935 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 102 8.778 -1.279 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.741 -1.965 -0.979 1.00 0.00 H new ATOM 1621 N PRO A 103 7.867 0.858 -3.892 1.00 0.00 N ATOM 1622 CA PRO A 103 6.699 0.878 -4.777 1.00 0.00 C ATOM 1623 C PRO A 103 6.679 -0.310 -5.732 1.00 0.00 C ATOM 1624 O PRO A 103 7.687 -0.632 -6.361 1.00 0.00 O ATOM 1625 CB PRO A 103 6.860 2.188 -5.552 1.00 0.00 C ATOM 1626 CG PRO A 103 8.319 2.481 -5.511 1.00 0.00 C ATOM 1627 CD PRO A 103 8.814 1.946 -4.196 1.00 0.00 C ATOM 0 HA PRO A 103 5.764 0.812 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.506 2.086 -6.578 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.283 2.991 -5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.836 2.006 -6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.504 3.552 -5.591 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.837 1.579 -4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.807 2.713 -3.422 1.00 0.00 H new ATOM 1635 N LEU A 104 5.522 -0.958 -5.835 1.00 0.00 N ATOM 1636 CA LEU A 104 5.367 -2.113 -6.711 1.00 0.00 C ATOM 1637 C LEU A 104 5.048 -1.679 -8.139 1.00 0.00 C ATOM 1638 O LEU A 104 4.579 -0.563 -8.369 1.00 0.00 O ATOM 1639 CB LEU A 104 4.259 -3.030 -6.185 1.00 0.00 C ATOM 1640 CG LEU A 104 4.333 -3.333 -4.686 1.00 0.00 C ATOM 1641 CD1 LEU A 104 3.063 -2.875 -3.982 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.567 -4.818 -4.451 1.00 0.00 C ATOM 0 H LEU A 104 4.678 -0.702 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 104 6.311 -2.659 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.294 -2.571 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.295 -3.971 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 104 5.175 -2.782 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.136 -3.099 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.938 -1.801 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.204 -3.396 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.617 -5.013 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.747 -5.389 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.505 -5.117 -4.918 1.00 0.00 H new ATOM 1654 N SER A 105 5.304 -2.567 -9.095 1.00 0.00 N ATOM 1655 CA SER A 105 5.041 -2.275 -10.500 1.00 0.00 C ATOM 1656 C SER A 105 3.568 -2.489 -10.835 1.00 0.00 C ATOM 1657 O SER A 105 2.855 -3.184 -10.111 1.00 0.00 O ATOM 1658 CB SER A 105 5.915 -3.155 -11.397 1.00 0.00 C ATOM 1659 OG SER A 105 7.123 -2.500 -11.737 1.00 0.00 O ATOM 0 H SER A 105 5.693 -3.494 -8.922 1.00 0.00 H new ATOM 0 HA SER A 105 5.286 -1.228 -10.680 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.138 -4.092 -10.886 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.368 -3.409 -12.305 1.00 0.00 H new ATOM 0 HG SER A 105 7.663 -3.085 -12.309 1.00 0.00 H new ATOM 1665 N PRO A 106 3.091 -1.894 -11.942 1.00 0.00 N ATOM 1666 CA PRO A 106 1.693 -2.025 -12.370 1.00 0.00 C ATOM 1667 C PRO A 106 1.307 -3.472 -12.657 1.00 0.00 C ATOM 1668 O PRO A 106 0.134 -3.837 -12.586 1.00 0.00 O ATOM 1669 CB PRO A 106 1.621 -1.186 -13.652 1.00 0.00 C ATOM 1670 CG PRO A 106 3.034 -1.051 -14.109 1.00 0.00 C ATOM 1671 CD PRO A 106 3.873 -1.053 -12.864 1.00 0.00 C ATOM 0 HA PRO A 106 1.002 -1.694 -11.594 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.007 -1.675 -14.409 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.174 -0.211 -13.460 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.311 -1.874 -14.768 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.175 -0.129 -14.673 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.865 -1.467 -13.046 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.015 -0.046 -12.471 1.00 0.00 H new ATOM 1679 N ASP A 107 2.299 -4.292 -12.988 1.00 0.00 N ATOM 1680 CA ASP A 107 2.060 -5.699 -13.286 1.00 0.00 C ATOM 1681 C ASP A 107 1.781 -6.489 -12.012 1.00 0.00 C ATOM 1682 O ASP A 107 0.952 -7.399 -12.003 1.00 0.00 O ATOM 1683 CB ASP A 107 3.262 -6.298 -14.018 1.00 0.00 C ATOM 1684 CG ASP A 107 2.890 -7.516 -14.841 1.00 0.00 C ATOM 1685 OD1 ASP A 107 2.057 -7.381 -15.760 1.00 0.00 O ATOM 1686 OD2 ASP A 107 3.435 -8.607 -14.564 1.00 0.00 O ATOM 0 H ASP A 107 3.276 -4.006 -13.057 1.00 0.00 H new ATOM 0 HA ASP A 107 1.182 -5.762 -13.929 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.700 -5.542 -14.670 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.026 -6.574 -13.291 1.00 0.00 H new ATOM 1691 N GLU A 108 2.476 -6.135 -10.937 1.00 0.00 N ATOM 1692 CA GLU A 108 2.303 -6.812 -9.657 1.00 0.00 C ATOM 1693 C GLU A 108 1.157 -6.189 -8.865 1.00 0.00 C ATOM 1694 O GLU A 108 0.405 -6.887 -8.187 1.00 0.00 O ATOM 1695 CB GLU A 108 3.599 -6.750 -8.843 1.00 0.00 C ATOM 1696 CG GLU A 108 4.114 -8.115 -8.415 1.00 0.00 C ATOM 1697 CD GLU A 108 5.159 -8.666 -9.364 1.00 0.00 C ATOM 1698 OE1 GLU A 108 6.241 -8.054 -9.477 1.00 0.00 O ATOM 1699 OE2 GLU A 108 4.896 -9.713 -9.993 1.00 0.00 O ATOM 0 H GLU A 108 3.165 -5.383 -10.926 1.00 0.00 H new ATOM 0 HA GLU A 108 2.059 -7.856 -9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.366 -6.250 -9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.432 -6.139 -7.956 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.540 -8.041 -7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.278 -8.812 -8.355 1.00 0.00 H new ATOM 1706 N VAL A 109 1.032 -4.869 -8.958 1.00 0.00 N ATOM 1707 CA VAL A 109 -0.021 -4.148 -8.253 1.00 0.00 C ATOM 1708 C VAL A 109 -1.402 -4.652 -8.660 1.00 0.00 C ATOM 1709 O VAL A 109 -2.304 -4.758 -7.831 1.00 0.00 O ATOM 1710 CB VAL A 109 0.069 -2.629 -8.517 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -1.057 -1.882 -7.817 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.422 -2.092 -8.078 1.00 0.00 C ATOM 0 H VAL A 109 1.648 -4.277 -9.515 1.00 0.00 H new ATOM 0 HA VAL A 109 0.123 -4.331 -7.188 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.038 -2.466 -9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.968 -0.815 -8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.017 -2.243 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.994 -2.052 -6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.468 -1.020 -8.271 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.557 -2.275 -7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.212 -2.596 -8.636 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.562 -4.965 -9.941 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.835 -5.462 -10.444 1.00 0.00 C ATOM 1724 C ARG A 110 -3.123 -6.856 -9.898 1.00 0.00 C ATOM 1725 O ARG A 110 -4.279 -7.264 -9.784 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.834 -5.487 -11.973 1.00 0.00 C ATOM 1727 CG ARG A 110 -4.172 -5.104 -12.587 1.00 0.00 C ATOM 1728 CD ARG A 110 -4.127 -3.722 -13.222 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.467 -3.761 -14.643 1.00 0.00 N ATOM 1730 CZ ARG A 110 -4.457 -2.694 -15.438 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -4.127 -1.502 -14.955 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -4.777 -2.818 -16.718 1.00 0.00 N ATOM 0 H ARG A 110 -0.829 -4.884 -10.646 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.621 -4.787 -10.105 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.067 -4.805 -12.339 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.560 -6.486 -12.312 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.451 -5.841 -13.340 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.944 -5.126 -11.818 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.820 -3.061 -12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.130 -3.299 -13.099 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.727 -4.660 -15.049 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.880 -1.401 -13.971 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.121 -0.687 -15.568 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.031 -3.731 -17.094 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.769 -2.000 -17.327 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.062 -7.583 -9.556 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.201 -8.930 -9.018 1.00 0.00 C ATOM 1748 C HIS A 111 -2.685 -8.886 -7.572 1.00 0.00 C ATOM 1749 O HIS A 111 -3.651 -9.557 -7.212 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.871 -9.680 -9.104 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.733 -10.512 -10.342 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -1.527 -11.609 -10.603 1.00 0.00 N ATOM 1753 CD2 HIS A 111 0.114 -10.405 -11.392 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -1.175 -12.140 -11.761 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -0.181 -11.428 -12.260 1.00 0.00 N ATOM 0 H HIS A 111 -1.098 -7.261 -9.642 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.942 -9.460 -9.616 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.054 -8.960 -9.067 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -0.769 -10.323 -8.230 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.880 -9.655 -11.523 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.624 -13.008 -12.221 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.291 -11.608 -13.146 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.014 -8.088 -6.747 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.391 -7.960 -5.346 1.00 0.00 C ATOM 1766 C ILE A 112 -3.740 -7.255 -5.207 1.00 0.00 C ATOM 1767 O ILE A 112 -4.382 -7.320 -4.160 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.325 -7.196 -4.532 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.226 -5.743 -5.002 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.024 -7.887 -4.649 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -2.136 -4.803 -4.245 1.00 0.00 C ATOM 0 H ILE A 112 -1.211 -7.524 -7.024 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.469 -8.971 -4.946 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.626 -7.196 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.196 -5.404 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.469 -5.695 -6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.766 -7.337 -4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.054 -8.904 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.329 -7.916 -5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.014 -3.790 -4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -3.172 -5.118 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.879 -4.822 -3.186 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.165 -6.585 -6.279 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.438 -5.873 -6.285 1.00 0.00 C ATOM 1785 C LEU A 113 -6.595 -6.844 -6.498 1.00 0.00 C ATOM 1786 O LEU A 113 -7.637 -6.735 -5.854 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.442 -4.809 -7.385 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.563 -3.365 -6.890 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.225 -2.652 -6.988 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -6.626 -2.617 -7.681 1.00 0.00 C ATOM 0 H LEU A 113 -3.644 -6.522 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.564 -5.387 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.523 -4.903 -7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.269 -5.014 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.864 -3.386 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.332 -1.627 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.489 -3.174 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.893 -2.642 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.698 -1.593 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.354 -2.607 -8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.588 -3.114 -7.558 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.402 -7.793 -7.409 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.430 -8.782 -7.710 1.00 0.00 C ATOM 1804 C GLU A 114 -7.486 -9.852 -6.625 1.00 0.00 C ATOM 1805 O GLU A 114 -8.554 -10.382 -6.319 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.160 -9.431 -9.069 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.209 -10.454 -9.473 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.700 -11.880 -9.379 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -7.568 -12.389 -8.246 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -7.437 -12.486 -10.437 1.00 0.00 O ATOM 0 H GLU A 114 -5.544 -7.898 -7.951 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.393 -8.272 -7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.111 -8.653 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.183 -9.915 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.085 -10.342 -8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.532 -10.254 -10.495 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.332 -10.161 -6.045 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.250 -11.164 -4.992 1.00 0.00 C ATOM 1819 C VAL A 115 -6.831 -10.634 -3.687 1.00 0.00 C ATOM 1820 O VAL A 115 -7.374 -11.392 -2.883 1.00 0.00 O ATOM 1821 CB VAL A 115 -4.796 -11.610 -4.754 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -4.742 -12.758 -3.757 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -4.133 -12.006 -6.065 1.00 0.00 C ATOM 0 H VAL A 115 -5.440 -9.730 -6.287 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.833 -12.023 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.246 -10.768 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.705 -13.058 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.171 -12.436 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.311 -13.603 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.106 -12.318 -5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.684 -12.830 -6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.133 -11.154 -6.745 1.00 0.00 H new ATOM 1833 N SER A 116 -6.714 -9.325 -3.480 1.00 0.00 N ATOM 1834 CA SER A 116 -7.228 -8.692 -2.273 1.00 0.00 C ATOM 1835 C SER A 116 -8.754 -8.687 -2.269 1.00 0.00 C ATOM 1836 O SER A 116 -9.384 -9.232 -1.363 1.00 0.00 O ATOM 1837 CB SER A 116 -6.701 -7.260 -2.159 1.00 0.00 C ATOM 1838 OG SER A 116 -5.509 -7.215 -1.394 1.00 0.00 O ATOM 0 H SER A 116 -6.267 -8.683 -4.134 1.00 0.00 H new ATOM 0 HA SER A 116 -6.882 -9.268 -1.415 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.513 -6.858 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.458 -6.626 -1.697 1.00 0.00 H new ATOM 0 HG SER A 116 -4.734 -7.234 -1.994 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.342 -8.068 -3.289 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.789 -8.006 -3.384 1.00 0.00 C ATOM 1846 C GLY A 117 -11.281 -6.664 -3.894 1.00 0.00 C ATOM 1847 O GLY A 117 -12.042 -5.977 -3.215 1.00 0.00 O ATOM 0 H GLY A 117 -8.842 -7.609 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.140 -8.795 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -11.223 -8.200 -2.403 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.846 -6.293 -5.093 1.00 0.00 N ATOM 1852 CA LEU A 118 -11.249 -5.026 -5.694 1.00 0.00 C ATOM 1853 C LEU A 118 -11.675 -5.224 -7.144 1.00 0.00 C ATOM 1854 O LEU A 118 -12.791 -4.877 -7.527 1.00 0.00 O ATOM 1855 CB LEU A 118 -10.106 -4.010 -5.621 1.00 0.00 C ATOM 1856 CG LEU A 118 -9.213 -4.120 -4.384 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.972 -3.251 -4.543 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.985 -3.730 -3.132 1.00 0.00 C ATOM 0 H LEU A 118 -10.215 -6.851 -5.668 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.100 -4.643 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.484 -4.123 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.531 -3.007 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.894 -5.157 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.348 -3.341 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.408 -3.578 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -8.270 -2.211 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.334 -3.814 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.334 -2.702 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.841 -4.394 -3.010 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.775 -5.784 -7.947 1.00 0.00 N ATOM 1871 CA LEU A 119 -11.056 -6.030 -9.356 1.00 0.00 C ATOM 1872 C LEU A 119 -11.893 -7.294 -9.531 1.00 0.00 C ATOM 1873 O LEU A 119 -12.923 -7.281 -10.204 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.751 -6.155 -10.146 1.00 0.00 C ATOM 1875 CG LEU A 119 -9.840 -5.744 -11.616 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -10.954 -6.506 -12.317 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -10.059 -4.243 -11.736 1.00 0.00 C ATOM 0 H LEU A 119 -9.845 -6.076 -7.645 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.624 -5.183 -9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.990 -5.544 -9.660 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.411 -7.189 -10.094 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.897 -5.994 -12.102 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.002 -6.200 -13.362 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.754 -7.576 -12.261 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.905 -6.289 -11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.120 -3.967 -12.789 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -10.988 -3.970 -11.235 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -9.226 -3.715 -11.270 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.442 -8.384 -8.920 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.160 -9.641 -9.019 1.00 0.00 C ATOM 1891 C GLY A 120 -11.500 -10.613 -9.976 1.00 0.00 C ATOM 1892 O GLY A 120 -11.629 -10.420 -11.203 1.00 0.00 O ATOM 1893 OXT GLY A 120 -10.852 -11.568 -9.499 1.00 0.00 O ATOM 0 H GLY A 120 -10.592 -8.419 -8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.226 -10.097 -8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -13.181 -9.448 -9.349 1.00 0.00 H new