USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 712 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 86 CYS SG : rot 178:sc= 0.367 USER MOD Set 1.2: A 98 HIS : no HE2:sc= 0.296 K(o=0.66,f=-0.37) USER MOD Set 2.1: A 31 ASN :FLIP amide:sc= 0.0063 F(o=-1.2,f=-0.016) USER MOD Set 2.2: A 35 GLN :FLIP amide:sc= -0.0222 X(o=-0.37,f=-0.016) USER MOD Set 3.1: A 19 GLN : amide:sc= 1.08 K(o=1.1,f=0.054) USER MOD Set 3.2: A 46 GLN : amide:sc= 0.0568 X(o=1.1,f=1.1) USER MOD Single : A 6 THR OG1 : rot -23:sc= 0.516 USER MOD Single : A 8 HIS : no HD1:sc= -0.899 K(o=-0.9,f=-2.5!) USER MOD Single : A 10 GLN : amide:sc= -0.0768 K(o=-0.077,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.0205 (180deg=-0.303) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 CYS SG : rot 180:sc= -0.153 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0505 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 170:sc=-0.000881 USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-2.5!,f=0) USER MOD Single : A 57 HIS : no HE2:sc= 0.355 K(o=0.35,f=-1.9!) USER MOD Single : A 58 CYS SG : rot -170:sc= -0.173 USER MOD Single : A 66 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.67) USER MOD Single : A 68 HIS : no HD1:sc= -0.694 X(o=-0.69,f=-0.38) USER MOD Single : A 79 ASN : amide:sc= -0.258 K(o=-0.26,f=-1.9!) USER MOD Single : A 85 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-1.6) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -3.31! C(o=-4.1!,f=-3.3!) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0.449 X(o=0.45,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 6 -12.786 -5.090 3.013 1.00 0.00 N ATOM 60 CA THR A 6 -11.442 -4.611 3.299 1.00 0.00 C ATOM 61 C THR A 6 -10.459 -5.789 3.398 1.00 0.00 C ATOM 62 O THR A 6 -10.886 -6.929 3.613 1.00 0.00 O ATOM 63 CB THR A 6 -11.494 -3.737 4.566 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.414 -4.260 5.515 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.919 -2.321 4.164 1.00 0.00 C ATOM 0 HA THR A 6 -11.068 -3.989 2.486 1.00 0.00 H new ATOM 0 HB THR A 6 -10.507 -3.725 5.028 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.076 -4.817 5.056 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.961 -1.688 5.051 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.196 -1.910 3.459 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.903 -2.355 3.696 1.00 0.00 H new ATOM 73 N PRO A 7 -9.142 -5.548 3.252 1.00 0.00 N ATOM 74 CA PRO A 7 -8.160 -6.619 3.115 1.00 0.00 C ATOM 75 C PRO A 7 -8.028 -7.421 4.413 1.00 0.00 C ATOM 76 O PRO A 7 -8.223 -8.643 4.416 1.00 0.00 O ATOM 77 CB PRO A 7 -6.855 -5.940 2.696 1.00 0.00 C ATOM 78 CG PRO A 7 -7.012 -4.495 3.170 1.00 0.00 C ATOM 79 CD PRO A 7 -8.510 -4.246 3.087 1.00 0.00 C ATOM 0 HA PRO A 7 -8.459 -7.353 2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.991 -6.419 3.158 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.709 -5.991 1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.641 -4.365 4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.456 -3.804 2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.834 -3.553 3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.779 -3.800 2.130 1.00 0.00 H new ATOM 87 N HIS A 8 -7.744 -6.731 5.518 1.00 0.00 N ATOM 88 CA HIS A 8 -7.646 -7.307 6.846 1.00 0.00 C ATOM 89 C HIS A 8 -8.390 -6.366 7.802 1.00 0.00 C ATOM 90 O HIS A 8 -8.278 -5.144 7.637 1.00 0.00 O ATOM 91 CB HIS A 8 -6.153 -7.432 7.208 1.00 0.00 C ATOM 92 CG HIS A 8 -5.893 -8.447 8.285 1.00 0.00 C ATOM 93 ND1 HIS A 8 -5.462 -8.194 9.564 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.075 -9.797 8.168 1.00 0.00 C ATOM 95 CE1 HIS A 8 -5.462 -9.365 10.219 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.824 -10.372 9.414 1.00 0.00 N ATOM 0 H HIS A 8 -7.572 -5.726 5.506 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.091 -8.300 6.907 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.590 -7.705 6.315 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.781 -6.461 7.534 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.362 -10.325 7.270 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.203 -9.481 11.261 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.901 -11.359 9.661 1.00 0.00 H new ATOM 104 N PRO A 9 -9.083 -6.868 8.837 1.00 0.00 N ATOM 105 CA PRO A 9 -9.865 -6.026 9.736 1.00 0.00 C ATOM 106 C PRO A 9 -8.979 -5.288 10.746 1.00 0.00 C ATOM 107 O PRO A 9 -9.425 -4.301 11.335 1.00 0.00 O ATOM 108 CB PRO A 9 -10.844 -6.985 10.417 1.00 0.00 C ATOM 109 CG PRO A 9 -10.064 -8.298 10.464 1.00 0.00 C ATOM 110 CD PRO A 9 -9.307 -8.271 9.141 1.00 0.00 C ATOM 0 HA PRO A 9 -10.386 -5.233 9.200 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.117 -6.642 11.415 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.770 -7.086 9.851 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.389 -8.340 11.319 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.725 -9.162 10.537 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.362 -8.809 9.221 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.883 -8.754 8.352 1.00 0.00 H new ATOM 118 N GLN A 10 -7.735 -5.748 10.937 1.00 0.00 N ATOM 119 CA GLN A 10 -6.751 -5.068 11.767 1.00 0.00 C ATOM 120 C GLN A 10 -6.063 -3.919 11.017 1.00 0.00 C ATOM 121 O GLN A 10 -5.564 -3.020 11.687 1.00 0.00 O ATOM 122 CB GLN A 10 -5.648 -6.036 12.223 1.00 0.00 C ATOM 123 CG GLN A 10 -6.081 -7.302 12.994 1.00 0.00 C ATOM 124 CD GLN A 10 -4.853 -8.106 13.448 1.00 0.00 C ATOM 125 OE1 GLN A 10 -3.745 -7.888 12.969 1.00 0.00 O ATOM 126 NE2 GLN A 10 -4.981 -9.075 14.335 1.00 0.00 N ATOM 0 H GLN A 10 -7.388 -6.609 10.514 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.301 -4.677 12.623 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.094 -6.354 11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.953 -5.481 12.853 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.678 -7.020 13.861 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.714 -7.922 12.359 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.893 -9.273 14.746 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.168 -9.626 14.610 1.00 0.00 H new ATOM 135 N LEU A 11 -5.975 -3.968 9.677 1.00 0.00 N ATOM 136 CA LEU A 11 -5.193 -3.017 8.875 1.00 0.00 C ATOM 137 C LEU A 11 -5.660 -1.590 9.162 1.00 0.00 C ATOM 138 O LEU A 11 -6.873 -1.347 9.165 1.00 0.00 O ATOM 139 CB LEU A 11 -5.306 -3.390 7.382 1.00 0.00 C ATOM 140 CG LEU A 11 -4.790 -2.319 6.392 1.00 0.00 C ATOM 141 CD1 LEU A 11 -3.983 -2.968 5.260 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.950 -1.515 5.790 1.00 0.00 C ATOM 0 H LEU A 11 -6.450 -4.676 9.117 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.138 -3.069 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.753 -4.314 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.352 -3.598 7.154 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.145 -1.642 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.630 -2.196 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.129 -3.499 5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.616 -3.671 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.556 -0.770 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.620 -2.188 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.499 -1.015 6.588 1.00 0.00 H new ATOM 154 N ILE A 12 -4.711 -0.674 9.386 1.00 0.00 N ATOM 155 CA ILE A 12 -4.993 0.705 9.776 1.00 0.00 C ATOM 156 C ILE A 12 -4.578 1.620 8.633 1.00 0.00 C ATOM 157 O ILE A 12 -3.405 1.700 8.277 1.00 0.00 O ATOM 158 CB ILE A 12 -4.265 1.081 11.081 1.00 0.00 C ATOM 159 CG1 ILE A 12 -4.562 0.139 12.260 1.00 0.00 C ATOM 160 CG2 ILE A 12 -4.557 2.533 11.505 1.00 0.00 C ATOM 161 CD1 ILE A 12 -6.036 0.046 12.674 1.00 0.00 C ATOM 0 H ILE A 12 -3.715 -0.876 9.300 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.060 0.817 9.971 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.207 0.975 10.840 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.211 -0.860 12.002 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.981 0.468 13.121 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.024 2.756 12.429 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.226 3.214 10.722 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.628 2.657 11.665 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.136 -0.643 13.512 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.394 1.032 12.970 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.628 -0.317 11.834 1.00 0.00 H new ATOM 173 N TRP A 13 -5.558 2.310 8.057 1.00 0.00 N ATOM 174 CA TRP A 13 -5.320 3.276 7.002 1.00 0.00 C ATOM 175 C TRP A 13 -4.409 4.414 7.473 1.00 0.00 C ATOM 176 O TRP A 13 -4.439 4.769 8.655 1.00 0.00 O ATOM 177 CB TRP A 13 -6.658 3.838 6.536 1.00 0.00 C ATOM 178 CG TRP A 13 -7.620 2.780 6.118 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.683 2.377 6.840 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.568 1.913 4.945 1.00 0.00 C ATOM 181 NE1 TRP A 13 -9.265 1.296 6.223 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.601 0.939 5.071 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.754 1.848 3.794 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.785 -0.088 4.135 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.946 0.830 2.837 1.00 0.00 C ATOM 186 CH2 TRP A 13 -7.942 -0.147 3.015 1.00 0.00 C ATOM 0 H TRP A 13 -6.540 2.211 8.313 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.815 2.773 6.178 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.099 4.425 7.341 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.489 4.518 5.701 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -9.024 2.831 7.758 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -10.092 0.815 6.577 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.978 2.584 3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.564 -0.823 4.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.321 0.800 1.957 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.058 -0.940 2.292 1.00 0.00 H new ATOM 197 N PRO A 14 -3.689 5.063 6.547 1.00 0.00 N ATOM 198 CA PRO A 14 -3.644 4.715 5.132 1.00 0.00 C ATOM 199 C PRO A 14 -2.859 3.426 4.865 1.00 0.00 C ATOM 200 O PRO A 14 -2.088 2.976 5.714 1.00 0.00 O ATOM 201 CB PRO A 14 -2.969 5.891 4.463 1.00 0.00 C ATOM 202 CG PRO A 14 -2.072 6.479 5.551 1.00 0.00 C ATOM 203 CD PRO A 14 -2.880 6.235 6.819 1.00 0.00 C ATOM 0 HA PRO A 14 -4.647 4.525 4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.389 5.576 3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.698 6.621 4.111 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.102 5.984 5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.882 7.540 5.390 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.226 6.069 7.675 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.505 7.096 7.057 1.00 0.00 H new ATOM 211 N ALA A 15 -3.054 2.843 3.679 1.00 0.00 N ATOM 212 CA ALA A 15 -2.377 1.626 3.261 1.00 0.00 C ATOM 213 C ALA A 15 -1.801 1.777 1.863 1.00 0.00 C ATOM 214 O ALA A 15 -2.129 2.706 1.123 1.00 0.00 O ATOM 215 CB ALA A 15 -3.319 0.418 3.317 1.00 0.00 C ATOM 0 H ALA A 15 -3.696 3.213 2.978 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.557 1.453 3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.783 -0.476 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.677 0.283 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.168 0.587 2.655 1.00 0.00 H new ATOM 221 N LEU A 16 -0.934 0.832 1.511 1.00 0.00 N ATOM 222 CA LEU A 16 -0.116 0.860 0.313 1.00 0.00 C ATOM 223 C LEU A 16 -0.100 -0.525 -0.300 1.00 0.00 C ATOM 224 O LEU A 16 0.514 -1.434 0.264 1.00 0.00 O ATOM 225 CB LEU A 16 1.305 1.328 0.675 1.00 0.00 C ATOM 226 CG LEU A 16 1.430 2.844 0.890 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.833 3.216 1.375 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.131 3.564 -0.418 1.00 0.00 C ATOM 0 H LEU A 16 -0.780 -0.003 2.076 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.527 1.559 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.625 0.816 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.989 1.027 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 16 0.714 3.147 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.894 4.295 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.037 2.712 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.569 2.907 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.219 4.640 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.841 3.244 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.118 3.324 -0.742 1.00 0.00 H new ATOM 240 N LEU A 17 -0.816 -0.688 -1.413 1.00 0.00 N ATOM 241 CA LEU A 17 -0.770 -1.890 -2.243 1.00 0.00 C ATOM 242 C LEU A 17 0.413 -1.752 -3.203 1.00 0.00 C ATOM 243 O LEU A 17 0.700 -0.628 -3.631 1.00 0.00 O ATOM 244 CB LEU A 17 -2.091 -1.984 -3.029 1.00 0.00 C ATOM 245 CG LEU A 17 -2.337 -3.270 -3.841 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.731 -4.429 -2.926 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.473 -3.028 -4.847 1.00 0.00 C ATOM 0 H LEU A 17 -1.454 0.024 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.647 -2.790 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.913 -1.868 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.137 -1.138 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.414 -3.528 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.899 -5.324 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.930 -4.616 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.645 -4.175 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.649 -3.937 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.382 -2.757 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.195 -2.219 -5.522 1.00 0.00 H new ATOM 259 N LYS A 18 1.069 -2.847 -3.606 1.00 0.00 N ATOM 260 CA LYS A 18 2.014 -2.799 -4.724 1.00 0.00 C ATOM 261 C LYS A 18 1.884 -4.083 -5.523 1.00 0.00 C ATOM 262 O LYS A 18 2.488 -5.090 -5.140 1.00 0.00 O ATOM 263 CB LYS A 18 3.450 -2.521 -4.234 1.00 0.00 C ATOM 264 CG LYS A 18 4.237 -1.697 -5.256 1.00 0.00 C ATOM 265 CD LYS A 18 4.734 -2.464 -6.483 1.00 0.00 C ATOM 266 CE LYS A 18 5.958 -3.306 -6.132 1.00 0.00 C ATOM 267 NZ LYS A 18 7.157 -2.460 -5.945 1.00 0.00 N ATOM 0 H LYS A 18 0.964 -3.767 -3.179 1.00 0.00 H new ATOM 0 HA LYS A 18 1.775 -1.966 -5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.415 -1.988 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.964 -3.465 -4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.607 -0.874 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.097 -1.254 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.940 -3.107 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.984 -1.763 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.764 -3.872 -5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.142 -4.032 -6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.012 -3.043 -6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.166 -1.707 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.137 -2.035 -4.996 1.00 0.00 H new ATOM 281 N GLN A 19 1.101 -4.033 -6.603 1.00 0.00 N ATOM 282 CA GLN A 19 0.609 -5.220 -7.282 1.00 0.00 C ATOM 283 C GLN A 19 1.740 -6.164 -7.702 1.00 0.00 C ATOM 284 O GLN A 19 2.868 -5.732 -7.982 1.00 0.00 O ATOM 285 CB GLN A 19 -0.252 -4.847 -8.502 1.00 0.00 C ATOM 286 CG GLN A 19 -1.600 -4.191 -8.163 1.00 0.00 C ATOM 287 CD GLN A 19 -2.733 -4.716 -9.051 1.00 0.00 C ATOM 288 OE1 GLN A 19 -2.845 -4.366 -10.228 1.00 0.00 O ATOM 289 NE2 GLN A 19 -3.586 -5.569 -8.511 1.00 0.00 N ATOM 0 H GLN A 19 0.792 -3.159 -7.029 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.013 -5.752 -6.562 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.317 -4.168 -9.137 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.439 -5.748 -9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.842 -4.379 -7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.517 -3.111 -8.281 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.479 -5.848 -7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.351 -5.948 -9.069 1.00 0.00 H new ATOM 298 N GLN A 20 1.442 -7.464 -7.780 1.00 0.00 N ATOM 299 CA GLN A 20 2.418 -8.484 -8.113 1.00 0.00 C ATOM 300 C GLN A 20 2.822 -8.396 -9.592 1.00 0.00 C ATOM 301 O GLN A 20 2.234 -9.042 -10.459 1.00 0.00 O ATOM 302 CB GLN A 20 1.919 -9.885 -7.702 1.00 0.00 C ATOM 303 CG GLN A 20 3.135 -10.740 -7.325 1.00 0.00 C ATOM 304 CD GLN A 20 2.881 -12.246 -7.382 1.00 0.00 C ATOM 305 OE1 GLN A 20 2.611 -12.801 -8.446 1.00 0.00 O ATOM 306 NE2 GLN A 20 3.052 -12.958 -6.282 1.00 0.00 N ATOM 0 H GLN A 20 0.506 -7.833 -7.611 1.00 0.00 H new ATOM 0 HA GLN A 20 3.324 -8.302 -7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.232 -9.811 -6.859 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.369 -10.348 -8.522 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.959 -10.496 -7.995 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.454 -10.474 -6.317 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.276 -12.492 -5.403 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.960 -13.973 -6.312 1.00 0.00 H new ATOM 315 N GLY A 21 3.842 -7.586 -9.872 1.00 0.00 N ATOM 316 CA GLY A 21 4.416 -7.349 -11.187 1.00 0.00 C ATOM 317 C GLY A 21 4.698 -5.865 -11.390 1.00 0.00 C ATOM 318 O GLY A 21 5.694 -5.512 -12.025 1.00 0.00 O ATOM 0 H GLY A 21 4.313 -7.050 -9.143 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.339 -7.918 -11.295 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.732 -7.703 -11.958 1.00 0.00 H new ATOM 322 N CYS A 22 3.856 -4.997 -10.829 1.00 0.00 N ATOM 323 CA CYS A 22 3.987 -3.561 -10.967 1.00 0.00 C ATOM 324 C CYS A 22 5.093 -3.018 -10.069 1.00 0.00 C ATOM 325 O CYS A 22 5.721 -3.726 -9.276 1.00 0.00 O ATOM 326 CB CYS A 22 2.643 -2.906 -10.614 1.00 0.00 C ATOM 327 SG CYS A 22 1.336 -3.512 -11.713 1.00 0.00 S ATOM 0 H CYS A 22 3.058 -5.282 -10.261 1.00 0.00 H new ATOM 0 HA CYS A 22 4.257 -3.326 -11.996 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.386 -3.125 -9.578 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.726 -1.823 -10.700 1.00 0.00 H new ATOM 0 HG CYS A 22 0.208 -2.949 -11.397 1.00 0.00 H new ATOM 333 N ASN A 23 5.300 -1.715 -10.199 1.00 0.00 N ATOM 334 CA ASN A 23 6.330 -0.932 -9.546 1.00 0.00 C ATOM 335 C ASN A 23 5.693 0.273 -8.877 1.00 0.00 C ATOM 336 O ASN A 23 6.110 0.636 -7.778 1.00 0.00 O ATOM 337 CB ASN A 23 7.363 -0.483 -10.590 1.00 0.00 C ATOM 338 CG ASN A 23 8.046 -1.695 -11.188 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.875 -2.332 -10.544 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.620 -2.091 -12.373 1.00 0.00 N ATOM 0 H ASN A 23 4.712 -1.143 -10.804 1.00 0.00 H new ATOM 0 HA ASN A 23 6.833 -1.532 -8.788 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.874 0.094 -11.374 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.102 0.171 -10.127 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.981 -2.953 -12.783 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.930 -1.535 -12.879 1.00 0.00 H new ATOM 347 N GLU A 24 4.654 0.829 -9.501 1.00 0.00 N ATOM 348 CA GLU A 24 3.776 1.833 -8.932 1.00 0.00 C ATOM 349 C GLU A 24 3.130 1.237 -7.685 1.00 0.00 C ATOM 350 O GLU A 24 2.651 0.101 -7.704 1.00 0.00 O ATOM 351 CB GLU A 24 2.722 2.194 -9.994 1.00 0.00 C ATOM 352 CG GLU A 24 1.819 3.380 -9.620 1.00 0.00 C ATOM 353 CD GLU A 24 0.423 3.231 -10.241 1.00 0.00 C ATOM 354 OE1 GLU A 24 0.338 3.123 -11.485 1.00 0.00 O ATOM 355 OE2 GLU A 24 -0.577 3.149 -9.491 1.00 0.00 O ATOM 0 H GLU A 24 4.397 0.577 -10.455 1.00 0.00 H new ATOM 0 HA GLU A 24 4.313 2.739 -8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.232 2.423 -10.930 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.096 1.321 -10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.732 3.447 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.275 4.309 -9.961 1.00 0.00 H new ATOM 362 N LEU A 25 3.157 1.992 -6.590 1.00 0.00 N ATOM 363 CA LEU A 25 2.332 1.764 -5.417 1.00 0.00 C ATOM 364 C LEU A 25 0.980 2.409 -5.642 1.00 0.00 C ATOM 365 O LEU A 25 0.908 3.474 -6.249 1.00 0.00 O ATOM 366 CB LEU A 25 2.990 2.412 -4.191 1.00 0.00 C ATOM 367 CG LEU A 25 4.131 1.536 -3.657 1.00 0.00 C ATOM 368 CD1 LEU A 25 5.425 2.308 -3.490 1.00 0.00 C ATOM 369 CD2 LEU A 25 3.743 0.847 -2.348 1.00 0.00 C ATOM 0 H LEU A 25 3.772 2.800 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 25 2.221 0.693 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.375 3.396 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.245 2.562 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 25 4.306 0.768 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.200 1.642 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.735 2.712 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.272 3.126 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.575 0.235 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.506 1.600 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.871 0.214 -2.514 1.00 0.00 H new ATOM 381 N LEU A 26 -0.030 1.821 -5.014 1.00 0.00 N ATOM 382 CA LEU A 26 -1.421 2.233 -4.965 1.00 0.00 C ATOM 383 C LEU A 26 -1.666 2.862 -3.599 1.00 0.00 C ATOM 384 O LEU A 26 -1.825 2.121 -2.624 1.00 0.00 O ATOM 385 CB LEU A 26 -2.402 1.088 -5.299 1.00 0.00 C ATOM 386 CG LEU A 26 -3.599 1.416 -6.214 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.747 1.987 -5.378 1.00 0.00 C ATOM 388 CD2 LEU A 26 -3.323 2.389 -7.357 1.00 0.00 C ATOM 0 H LEU A 26 0.121 0.966 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.616 2.970 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.833 0.284 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.794 0.697 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.846 0.463 -6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.591 2.218 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.053 1.254 -4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.415 2.897 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.236 2.544 -7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.985 3.342 -6.950 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.551 1.977 -8.007 1.00 0.00 H new ATOM 400 N PRO A 27 -1.448 4.180 -3.437 1.00 0.00 N ATOM 401 CA PRO A 27 -1.875 4.865 -2.232 1.00 0.00 C ATOM 402 C PRO A 27 -3.379 4.662 -2.051 1.00 0.00 C ATOM 403 O PRO A 27 -4.147 4.893 -2.987 1.00 0.00 O ATOM 404 CB PRO A 27 -1.439 6.321 -2.412 1.00 0.00 C ATOM 405 CG PRO A 27 -1.478 6.536 -3.919 1.00 0.00 C ATOM 406 CD PRO A 27 -1.138 5.155 -4.480 1.00 0.00 C ATOM 0 HA PRO A 27 -1.428 4.482 -1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.111 7.005 -1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.440 6.491 -2.011 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.459 6.875 -4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.756 7.288 -4.237 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.717 4.952 -5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.085 5.100 -4.758 1.00 0.00 H new ATOM 414 N LEU A 28 -3.773 4.186 -0.863 1.00 0.00 N ATOM 415 CA LEU A 28 -5.142 4.179 -0.375 1.00 0.00 C ATOM 416 C LEU A 28 -5.147 5.041 0.880 1.00 0.00 C ATOM 417 O LEU A 28 -4.703 4.591 1.943 1.00 0.00 O ATOM 418 CB LEU A 28 -5.662 2.769 -0.019 1.00 0.00 C ATOM 419 CG LEU A 28 -6.006 1.787 -1.155 1.00 0.00 C ATOM 420 CD1 LEU A 28 -6.613 2.443 -2.396 1.00 0.00 C ATOM 421 CD2 LEU A 28 -4.816 0.912 -1.550 1.00 0.00 C ATOM 0 H LEU A 28 -3.116 3.782 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.799 4.552 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.912 2.292 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.557 2.893 0.590 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.783 1.152 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.824 1.679 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.539 2.950 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.909 3.168 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.111 0.238 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.996 1.545 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.491 0.329 -0.688 1.00 0.00 H new ATOM 433 N ARG A 29 -5.653 6.274 0.783 1.00 0.00 N ATOM 434 CA ARG A 29 -5.808 7.141 1.950 1.00 0.00 C ATOM 435 C ARG A 29 -6.661 6.463 3.009 1.00 0.00 C ATOM 436 O ARG A 29 -6.345 6.551 4.193 1.00 0.00 O ATOM 437 CB ARG A 29 -6.450 8.486 1.592 1.00 0.00 C ATOM 438 CG ARG A 29 -5.570 9.356 0.695 1.00 0.00 C ATOM 439 CD ARG A 29 -6.259 10.705 0.494 1.00 0.00 C ATOM 440 NE ARG A 29 -5.681 11.488 -0.605 1.00 0.00 N ATOM 441 CZ ARG A 29 -5.944 11.312 -1.909 1.00 0.00 C ATOM 442 NH1 ARG A 29 -6.536 10.200 -2.349 1.00 0.00 N ATOM 443 NH2 ARG A 29 -5.618 12.269 -2.767 1.00 0.00 N ATOM 0 H ARG A 29 -5.962 6.693 -0.094 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.805 7.327 2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.401 8.305 1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.672 9.031 2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.589 9.496 1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.409 8.867 -0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.318 10.540 0.297 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.193 11.281 1.417 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.024 12.228 -0.357 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.797 9.466 -1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.728 10.084 -3.344 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.174 13.124 -2.433 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.811 12.150 -3.761 1.00 0.00 H new ATOM 457 N THR A 30 -7.752 5.805 2.617 1.00 0.00 N ATOM 458 CA THR A 30 -8.645 5.170 3.566 1.00 0.00 C ATOM 459 C THR A 30 -9.453 4.065 2.893 1.00 0.00 C ATOM 460 O THR A 30 -9.281 3.786 1.706 1.00 0.00 O ATOM 461 CB THR A 30 -9.483 6.257 4.268 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.055 5.748 5.454 1.00 0.00 O ATOM 463 CG2 THR A 30 -10.574 6.889 3.403 1.00 0.00 C ATOM 0 H THR A 30 -8.033 5.702 1.642 1.00 0.00 H new ATOM 0 HA THR A 30 -8.086 4.658 4.349 1.00 0.00 H new ATOM 0 HB THR A 30 -8.777 7.057 4.490 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.583 6.449 5.890 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.109 7.641 3.984 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.120 7.359 2.531 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.272 6.118 3.077 1.00 0.00 H new ATOM 471 N ASN A 31 -10.345 3.452 3.671 1.00 0.00 N ATOM 472 CA ASN A 31 -11.309 2.454 3.226 1.00 0.00 C ATOM 473 C ASN A 31 -12.102 2.967 2.028 1.00 0.00 C ATOM 474 O ASN A 31 -12.295 2.209 1.088 1.00 0.00 O ATOM 475 CB ASN A 31 -12.238 2.064 4.388 1.00 0.00 C ATOM 476 CG ASN A 31 -13.611 1.604 3.916 1.00 0.00 C ATOM 477 OD1 ASN A 31 -13.754 0.363 3.485 1.00 0.00 O flip ATOM 478 ND2 ASN A 31 -14.558 2.384 3.936 1.00 0.00 N flip ATOM 0 H ASN A 31 -10.416 3.648 4.670 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.771 1.562 2.906 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.772 1.267 4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.355 2.918 5.056 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.426 3.338 4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.477 2.079 3.616 1.00 0.00 H new ATOM 485 N ASP A 32 -12.534 4.231 2.038 1.00 0.00 N ATOM 486 CA ASP A 32 -13.221 4.848 0.902 1.00 0.00 C ATOM 487 C ASP A 32 -12.382 4.717 -0.372 1.00 0.00 C ATOM 488 O ASP A 32 -12.875 4.211 -1.370 1.00 0.00 O ATOM 489 CB ASP A 32 -13.557 6.314 1.200 1.00 0.00 C ATOM 490 CG ASP A 32 -14.124 7.019 -0.030 1.00 0.00 C ATOM 491 OD1 ASP A 32 -15.200 6.625 -0.527 1.00 0.00 O ATOM 492 OD2 ASP A 32 -13.491 8.002 -0.482 1.00 0.00 O ATOM 0 H ASP A 32 -12.417 4.856 2.836 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.160 4.319 0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.279 6.365 2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.660 6.833 1.537 1.00 0.00 H new ATOM 497 N ASP A 33 -11.104 5.100 -0.321 1.00 0.00 N ATOM 498 CA ASP A 33 -10.145 5.006 -1.433 1.00 0.00 C ATOM 499 C ASP A 33 -10.034 3.554 -1.922 1.00 0.00 C ATOM 500 O ASP A 33 -10.108 3.269 -3.117 1.00 0.00 O ATOM 501 CB ASP A 33 -8.776 5.534 -0.963 1.00 0.00 C ATOM 502 CG ASP A 33 -7.880 6.126 -2.060 1.00 0.00 C ATOM 503 OD1 ASP A 33 -8.087 5.896 -3.272 1.00 0.00 O ATOM 504 OD2 ASP A 33 -6.923 6.834 -1.667 1.00 0.00 O ATOM 0 H ASP A 33 -10.691 5.498 0.522 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.493 5.613 -2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.943 6.298 -0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.238 4.718 -0.481 1.00 0.00 H new ATOM 509 N TRP A 34 -9.917 2.606 -0.982 1.00 0.00 N ATOM 510 CA TRP A 34 -9.865 1.174 -1.273 1.00 0.00 C ATOM 511 C TRP A 34 -11.112 0.716 -2.026 1.00 0.00 C ATOM 512 O TRP A 34 -11.002 -0.067 -2.968 1.00 0.00 O ATOM 513 CB TRP A 34 -9.671 0.377 0.025 1.00 0.00 C ATOM 514 CG TRP A 34 -9.823 -1.113 -0.075 1.00 0.00 C ATOM 515 CD1 TRP A 34 -10.968 -1.808 0.126 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.807 -2.111 -0.380 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.730 -3.160 -0.031 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.406 -3.403 -0.321 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.429 -2.056 -0.669 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.661 -4.579 -0.491 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.677 -3.225 -0.870 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.284 -4.488 -0.765 1.00 0.00 C ATOM 0 H TRP A 34 -9.855 2.819 0.014 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.010 0.985 -1.922 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.675 0.593 0.412 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.386 0.744 0.761 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.924 -1.371 0.372 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.443 -3.884 0.057 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.941 -1.095 -0.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.139 -5.544 -0.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.626 -3.153 -1.107 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.696 -5.385 -0.894 1.00 0.00 H new ATOM 533 N GLN A 35 -12.292 1.211 -1.644 1.00 0.00 N ATOM 534 CA GLN A 35 -13.528 0.856 -2.325 1.00 0.00 C ATOM 535 C GLN A 35 -13.434 1.244 -3.794 1.00 0.00 C ATOM 536 O GLN A 35 -13.816 0.459 -4.667 1.00 0.00 O ATOM 537 CB GLN A 35 -14.755 1.546 -1.709 1.00 0.00 C ATOM 538 CG GLN A 35 -14.895 1.319 -0.191 1.00 0.00 C ATOM 539 CD GLN A 35 -16.196 0.692 0.290 1.00 0.00 C ATOM 540 OE1 GLN A 35 -17.325 0.937 -0.345 1.00 0.00 O flip ATOM 541 NE2 GLN A 35 -16.193 0.013 1.317 1.00 0.00 N flip ATOM 0 H GLN A 35 -12.412 1.859 -0.865 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.656 -0.221 -2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.695 2.617 -1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.654 1.182 -2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.071 0.685 0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.775 2.280 0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.316 -0.173 1.803 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.068 -0.364 1.682 1.00 0.00 H new ATOM 550 N ARG A 36 -12.938 2.458 -4.054 1.00 0.00 N ATOM 551 CA ARG A 36 -12.983 3.094 -5.363 1.00 0.00 C ATOM 552 C ARG A 36 -12.195 2.300 -6.398 1.00 0.00 C ATOM 553 O ARG A 36 -12.628 2.246 -7.548 1.00 0.00 O ATOM 554 CB ARG A 36 -12.480 4.538 -5.282 1.00 0.00 C ATOM 555 CG ARG A 36 -13.133 5.346 -4.151 1.00 0.00 C ATOM 556 CD ARG A 36 -13.577 6.719 -4.616 1.00 0.00 C ATOM 557 NE ARG A 36 -13.889 7.593 -3.479 1.00 0.00 N ATOM 558 CZ ARG A 36 -14.347 8.841 -3.578 1.00 0.00 C ATOM 559 NH1 ARG A 36 -14.463 9.428 -4.764 1.00 0.00 N ATOM 560 NH2 ARG A 36 -14.686 9.486 -2.475 1.00 0.00 N ATOM 0 H ARG A 36 -12.486 3.033 -3.342 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.024 3.112 -5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.400 4.532 -5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.672 5.036 -6.232 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.993 4.799 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.427 5.453 -3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.791 7.172 -5.221 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.455 6.622 -5.255 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.744 7.217 -2.542 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.200 8.923 -5.611 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.815 10.383 -4.828 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.595 9.028 -1.568 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.038 10.442 -2.531 1.00 0.00 H new ATOM 696 N LEU A 45 -7.174 -8.629 -9.199 1.00 0.00 N ATOM 697 CA LEU A 45 -6.582 -9.144 -7.977 1.00 0.00 C ATOM 698 C LEU A 45 -5.886 -10.451 -8.305 1.00 0.00 C ATOM 699 O LEU A 45 -6.260 -11.182 -9.223 1.00 0.00 O ATOM 700 CB LEU A 45 -7.654 -9.300 -6.882 1.00 0.00 C ATOM 701 CG LEU A 45 -8.303 -7.959 -6.478 1.00 0.00 C ATOM 702 CD1 LEU A 45 -9.552 -8.176 -5.617 1.00 0.00 C ATOM 703 CD2 LEU A 45 -7.309 -7.072 -5.731 1.00 0.00 C ATOM 0 HA LEU A 45 -5.844 -8.447 -7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.429 -9.981 -7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.203 -9.759 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.602 -7.458 -7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.983 -7.211 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.284 -8.758 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.279 -8.714 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.792 -6.134 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.972 -7.583 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.452 -6.866 -6.372 1.00 0.00 H new ATOM 715 N GLN A 46 -4.808 -10.708 -7.584 1.00 0.00 N ATOM 716 CA GLN A 46 -3.830 -11.741 -7.865 1.00 0.00 C ATOM 717 C GLN A 46 -3.134 -11.985 -6.533 1.00 0.00 C ATOM 718 O GLN A 46 -2.799 -11.025 -5.837 1.00 0.00 O ATOM 719 CB GLN A 46 -2.921 -11.300 -9.028 1.00 0.00 C ATOM 720 CG GLN A 46 -2.159 -10.019 -8.704 1.00 0.00 C ATOM 721 CD GLN A 46 -1.588 -9.275 -9.914 1.00 0.00 C ATOM 722 OE1 GLN A 46 -1.113 -9.837 -10.902 1.00 0.00 O ATOM 723 NE2 GLN A 46 -1.654 -7.955 -9.874 1.00 0.00 N ATOM 0 H GLN A 46 -4.581 -10.174 -6.745 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.249 -12.683 -8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.212 -12.096 -9.256 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.525 -11.146 -9.922 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.825 -9.345 -8.165 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.339 -10.264 -8.029 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.047 -7.489 -9.057 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.312 -7.403 -10.661 1.00 0.00 H new ATOM 732 N TYR A 47 -3.000 -13.245 -6.118 1.00 0.00 N ATOM 733 CA TYR A 47 -2.410 -13.552 -4.822 1.00 0.00 C ATOM 734 C TYR A 47 -0.992 -13.003 -4.800 1.00 0.00 C ATOM 735 O TYR A 47 -0.275 -13.037 -5.803 1.00 0.00 O ATOM 736 CB TYR A 47 -2.410 -15.062 -4.590 1.00 0.00 C ATOM 737 CG TYR A 47 -3.801 -15.656 -4.591 1.00 0.00 C ATOM 738 CD1 TYR A 47 -4.721 -15.214 -3.628 1.00 0.00 C ATOM 739 CD2 TYR A 47 -4.184 -16.635 -5.527 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.021 -15.734 -3.592 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.480 -17.178 -5.477 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.413 -16.718 -4.518 1.00 0.00 C ATOM 743 OH TYR A 47 -7.680 -17.213 -4.468 1.00 0.00 O ATOM 0 H TYR A 47 -3.290 -14.061 -6.657 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.992 -13.092 -4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.814 -15.544 -5.365 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.928 -15.278 -3.636 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.424 -14.466 -2.908 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.485 -16.968 -6.280 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.723 -15.379 -2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.765 -17.951 -6.175 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.797 -17.884 -5.173 1.00 0.00 H new ATOM 753 N GLY A 48 -0.580 -12.518 -3.639 1.00 0.00 N ATOM 754 CA GLY A 48 0.734 -11.952 -3.449 1.00 0.00 C ATOM 755 C GLY A 48 0.829 -10.451 -3.711 1.00 0.00 C ATOM 756 O GLY A 48 1.939 -9.921 -3.671 1.00 0.00 O ATOM 0 H GLY A 48 -1.158 -12.509 -2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.054 -12.149 -2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.434 -12.466 -4.107 1.00 0.00 H new ATOM 760 N ASP A 49 -0.298 -9.766 -3.919 1.00 0.00 N ATOM 761 CA ASP A 49 -0.404 -8.351 -4.306 1.00 0.00 C ATOM 762 C ASP A 49 0.147 -7.345 -3.275 1.00 0.00 C ATOM 763 O ASP A 49 0.284 -6.173 -3.612 1.00 0.00 O ATOM 764 CB ASP A 49 -1.883 -8.032 -4.616 1.00 0.00 C ATOM 765 CG ASP A 49 -2.111 -7.259 -5.920 1.00 0.00 C ATOM 766 OD1 ASP A 49 -1.429 -7.527 -6.938 1.00 0.00 O ATOM 767 OD2 ASP A 49 -3.037 -6.418 -5.936 1.00 0.00 O ATOM 0 H ASP A 49 -1.213 -10.205 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 49 0.230 -8.227 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.441 -8.967 -4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.297 -7.454 -3.790 1.00 0.00 H new ATOM 772 N LYS A 50 0.478 -7.823 -2.059 1.00 0.00 N ATOM 773 CA LYS A 50 1.116 -7.187 -0.884 1.00 0.00 C ATOM 774 C LYS A 50 0.483 -5.869 -0.416 1.00 0.00 C ATOM 775 O LYS A 50 0.258 -4.946 -1.189 1.00 0.00 O ATOM 776 CB LYS A 50 2.597 -6.915 -1.187 1.00 0.00 C ATOM 777 CG LYS A 50 3.472 -6.714 0.069 1.00 0.00 C ATOM 778 CD LYS A 50 4.894 -6.270 -0.311 1.00 0.00 C ATOM 779 CE LYS A 50 5.712 -7.400 -0.959 1.00 0.00 C ATOM 780 NZ LYS A 50 6.674 -6.882 -1.953 1.00 0.00 N ATOM 0 H LYS A 50 0.276 -8.800 -1.848 1.00 0.00 H new ATOM 0 HA LYS A 50 0.973 -7.902 -0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.997 -7.748 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.671 -6.026 -1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.016 -5.966 0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.518 -7.643 0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.836 -5.427 -1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.411 -5.917 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.249 -7.949 -0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.037 -8.107 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.206 -7.674 -2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.160 -6.380 -2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.335 -6.227 -1.488 1.00 0.00 H new ATOM 794 N LEU A 51 0.303 -5.727 0.894 1.00 0.00 N ATOM 795 CA LEU A 51 -0.176 -4.499 1.516 1.00 0.00 C ATOM 796 C LEU A 51 0.752 -4.110 2.656 1.00 0.00 C ATOM 797 O LEU A 51 1.421 -4.962 3.241 1.00 0.00 O ATOM 798 CB LEU A 51 -1.614 -4.701 2.024 1.00 0.00 C ATOM 799 CG LEU A 51 -2.682 -4.357 0.976 1.00 0.00 C ATOM 800 CD1 LEU A 51 -4.023 -4.908 1.448 1.00 0.00 C ATOM 801 CD2 LEU A 51 -2.833 -2.846 0.777 1.00 0.00 C ATOM 0 H LEU A 51 0.489 -6.474 1.563 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.181 -3.693 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.740 -5.738 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.770 -4.083 2.908 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.372 -4.798 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.793 -4.671 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.952 -5.990 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.285 -4.458 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.600 -2.653 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.123 -2.382 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.884 -2.426 0.443 1.00 0.00 H new ATOM 813 N VAL A 52 0.726 -2.827 2.999 1.00 0.00 N ATOM 814 CA VAL A 52 1.402 -2.197 4.124 1.00 0.00 C ATOM 815 C VAL A 52 0.372 -1.265 4.768 1.00 0.00 C ATOM 816 O VAL A 52 -0.381 -0.630 4.025 1.00 0.00 O ATOM 817 CB VAL A 52 2.633 -1.432 3.590 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.229 -0.447 4.603 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.726 -2.392 3.106 1.00 0.00 C ATOM 0 H VAL A 52 0.191 -2.150 2.455 1.00 0.00 H new ATOM 0 HA VAL A 52 1.763 -2.910 4.865 1.00 0.00 H new ATOM 0 HB VAL A 52 2.262 -0.848 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.090 0.054 4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.478 0.294 4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.544 -0.988 5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.577 -1.819 2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.046 -3.025 3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.333 -3.015 2.303 1.00 0.00 H new ATOM 829 N ASP A 53 0.334 -1.162 6.101 1.00 0.00 N ATOM 830 CA ASP A 53 -0.481 -0.217 6.863 1.00 0.00 C ATOM 831 C ASP A 53 0.386 0.742 7.696 1.00 0.00 C ATOM 832 O ASP A 53 1.620 0.668 7.665 1.00 0.00 O ATOM 833 CB ASP A 53 -1.508 -1.001 7.698 1.00 0.00 C ATOM 834 CG ASP A 53 -1.096 -1.462 9.100 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.090 -1.400 9.479 1.00 0.00 O ATOM 836 OD2 ASP A 53 -2.006 -1.898 9.843 1.00 0.00 O ATOM 0 H ASP A 53 0.897 -1.763 6.703 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.032 0.429 6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.399 -0.381 7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.797 -1.884 7.128 1.00 0.00 H new ATOM 841 N SER A 54 -0.254 1.657 8.429 1.00 0.00 N ATOM 842 CA SER A 54 0.401 2.717 9.210 1.00 0.00 C ATOM 843 C SER A 54 1.331 2.186 10.311 1.00 0.00 C ATOM 844 O SER A 54 2.275 2.864 10.727 1.00 0.00 O ATOM 845 CB SER A 54 -0.687 3.575 9.869 1.00 0.00 C ATOM 846 OG SER A 54 -1.438 2.822 10.800 1.00 0.00 O ATOM 0 H SER A 54 -1.271 1.684 8.499 1.00 0.00 H new ATOM 0 HA SER A 54 1.019 3.288 8.517 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.228 4.426 10.372 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.350 3.977 9.103 1.00 0.00 H new ATOM 0 HG SER A 54 -2.012 3.423 11.319 1.00 0.00 H new ATOM 852 N ASN A 55 1.047 0.985 10.815 1.00 0.00 N ATOM 853 CA ASN A 55 1.814 0.292 11.847 1.00 0.00 C ATOM 854 C ASN A 55 3.010 -0.434 11.236 1.00 0.00 C ATOM 855 O ASN A 55 3.724 -1.127 11.965 1.00 0.00 O ATOM 856 CB ASN A 55 0.964 -0.765 12.567 1.00 0.00 C ATOM 857 CG ASN A 55 -0.392 -0.278 13.026 1.00 0.00 C ATOM 858 OD1 ASN A 55 -1.432 -0.526 12.256 1.00 0.00 O flip ATOM 859 ND2 ASN A 55 -0.544 0.281 14.108 1.00 0.00 N flip ATOM 0 H ASN A 55 0.240 0.446 10.500 1.00 0.00 H new ATOM 0 HA ASN A 55 2.141 1.055 12.553 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.823 -1.615 11.899 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.517 -1.128 13.433 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.263 0.471 14.702 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.478 0.555 14.414 1.00 0.00 H new ATOM 866 N PHE A 56 3.207 -0.328 9.915 1.00 0.00 N ATOM 867 CA PHE A 56 4.160 -1.103 9.138 1.00 0.00 C ATOM 868 C PHE A 56 3.829 -2.598 9.223 1.00 0.00 C ATOM 869 O PHE A 56 4.711 -3.415 8.966 1.00 0.00 O ATOM 870 CB PHE A 56 5.627 -0.788 9.515 1.00 0.00 C ATOM 871 CG PHE A 56 6.163 0.582 9.130 1.00 0.00 C ATOM 872 CD1 PHE A 56 5.544 1.769 9.568 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.296 0.666 8.296 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.020 3.018 9.137 1.00 0.00 C ATOM 875 CE2 PHE A 56 7.764 1.915 7.857 1.00 0.00 C ATOM 876 CZ PHE A 56 7.130 3.095 8.278 1.00 0.00 C ATOM 0 H PHE A 56 2.680 0.331 9.342 1.00 0.00 H new ATOM 0 HA PHE A 56 4.064 -0.805 8.094 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.730 -0.900 10.594 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.264 -1.542 9.053 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.699 1.718 10.239 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.807 -0.236 7.993 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.531 3.923 9.467 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.614 1.968 7.193 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.493 4.056 7.944 1.00 0.00 H new ATOM 886 N HIS A 57 2.587 -3.008 9.511 1.00 0.00 N ATOM 887 CA HIS A 57 2.182 -4.393 9.279 1.00 0.00 C ATOM 888 C HIS A 57 2.324 -4.669 7.784 1.00 0.00 C ATOM 889 O HIS A 57 1.801 -3.893 6.979 1.00 0.00 O ATOM 890 CB HIS A 57 0.740 -4.617 9.714 1.00 0.00 C ATOM 891 CG HIS A 57 0.446 -4.325 11.158 1.00 0.00 C ATOM 892 ND1 HIS A 57 -0.723 -3.769 11.633 1.00 0.00 N ATOM 893 CD2 HIS A 57 1.261 -4.598 12.223 1.00 0.00 C ATOM 894 CE1 HIS A 57 -0.641 -3.745 12.975 1.00 0.00 C ATOM 895 NE2 HIS A 57 0.546 -4.245 13.376 1.00 0.00 N ATOM 0 H HIS A 57 1.858 -2.409 9.899 1.00 0.00 H new ATOM 0 HA HIS A 57 2.810 -5.068 9.861 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.092 -3.995 9.097 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.475 -5.654 9.510 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.506 -3.437 11.070 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.260 -5.006 12.183 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.413 -3.379 13.636 1.00 0.00 H new ATOM 903 N CYS A 58 3.087 -5.688 7.385 1.00 0.00 N ATOM 904 CA CYS A 58 3.048 -6.186 6.016 1.00 0.00 C ATOM 905 C CYS A 58 1.954 -7.249 5.955 1.00 0.00 C ATOM 906 O CYS A 58 1.778 -8.027 6.896 1.00 0.00 O ATOM 907 CB CYS A 58 4.411 -6.766 5.601 1.00 0.00 C ATOM 908 SG CYS A 58 5.273 -5.646 4.467 1.00 0.00 S ATOM 0 H CYS A 58 3.739 -6.183 7.994 1.00 0.00 H new ATOM 0 HA CYS A 58 2.831 -5.376 5.319 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.023 -6.935 6.487 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.268 -7.735 5.123 1.00 0.00 H new ATOM 0 HG CYS A 58 6.314 -6.247 3.972 1.00 0.00 H new ATOM 914 N PHE A 59 1.271 -7.333 4.817 1.00 0.00 N ATOM 915 CA PHE A 59 0.273 -8.351 4.537 1.00 0.00 C ATOM 916 C PHE A 59 0.483 -8.877 3.121 1.00 0.00 C ATOM 917 O PHE A 59 1.001 -8.174 2.254 1.00 0.00 O ATOM 918 CB PHE A 59 -1.138 -7.768 4.695 1.00 0.00 C ATOM 919 CG PHE A 59 -1.465 -7.225 6.071 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.699 -8.108 7.142 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.499 -5.835 6.291 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.929 -7.606 8.434 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.758 -5.332 7.576 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.946 -6.217 8.653 1.00 0.00 C ATOM 0 H PHE A 59 1.402 -6.677 4.047 1.00 0.00 H new ATOM 0 HA PHE A 59 0.379 -9.173 5.244 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.266 -6.967 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.863 -8.543 4.447 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.702 -9.174 6.970 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.326 -5.155 5.470 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.092 -8.286 9.257 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.813 -4.266 7.738 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.103 -5.830 9.649 1.00 0.00 H new ATOM 934 N VAL A 60 0.030 -10.098 2.866 1.00 0.00 N ATOM 935 CA VAL A 60 0.137 -10.852 1.630 1.00 0.00 C ATOM 936 C VAL A 60 -1.182 -11.608 1.449 1.00 0.00 C ATOM 937 O VAL A 60 -1.663 -12.250 2.382 1.00 0.00 O ATOM 938 CB VAL A 60 1.349 -11.805 1.730 1.00 0.00 C ATOM 939 CG1 VAL A 60 1.360 -12.873 0.630 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.661 -11.016 1.626 1.00 0.00 C ATOM 0 H VAL A 60 -0.464 -10.629 3.583 1.00 0.00 H new ATOM 0 HA VAL A 60 0.301 -10.210 0.764 1.00 0.00 H new ATOM 0 HB VAL A 60 1.261 -12.299 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.234 -13.512 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.456 -13.478 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.398 -12.390 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.505 -11.702 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.698 -10.495 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.714 -10.289 2.437 1.00 0.00 H new ATOM 950 N LEU A 61 -1.753 -11.515 0.247 1.00 0.00 N ATOM 951 CA LEU A 61 -2.883 -12.321 -0.210 1.00 0.00 C ATOM 952 C LEU A 61 -2.347 -13.722 -0.507 1.00 0.00 C ATOM 953 O LEU A 61 -1.421 -13.825 -1.313 1.00 0.00 O ATOM 954 CB LEU A 61 -3.464 -11.678 -1.488 1.00 0.00 C ATOM 955 CG LEU A 61 -4.890 -12.079 -1.944 1.00 0.00 C ATOM 956 CD1 LEU A 61 -5.178 -11.864 -3.441 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.699 -13.128 -1.186 1.00 0.00 C ATOM 0 H LEU A 61 -1.429 -10.853 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.673 -12.376 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.454 -10.597 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.781 -11.899 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.447 -11.286 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.199 -12.173 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.057 -10.809 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.482 -12.457 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.667 -13.260 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.160 -14.075 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.849 -12.799 -0.158 1.00 0.00 H new ATOM 969 N GLU A 62 -2.887 -14.769 0.112 1.00 0.00 N ATOM 970 CA GLU A 62 -2.547 -16.164 -0.195 1.00 0.00 C ATOM 971 C GLU A 62 -3.735 -16.839 -0.867 1.00 0.00 C ATOM 972 O GLU A 62 -4.840 -16.318 -0.777 1.00 0.00 O ATOM 973 CB GLU A 62 -2.187 -16.926 1.088 1.00 0.00 C ATOM 974 CG GLU A 62 -0.902 -16.389 1.729 1.00 0.00 C ATOM 975 CD GLU A 62 -0.033 -17.495 2.334 1.00 0.00 C ATOM 976 OE1 GLU A 62 0.267 -18.497 1.643 1.00 0.00 O ATOM 977 OE2 GLU A 62 0.416 -17.341 3.492 1.00 0.00 O ATOM 0 H GLU A 62 -3.583 -14.675 0.852 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.686 -16.175 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.009 -16.847 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.064 -17.985 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.325 -15.850 0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.162 -15.671 2.507 1.00 0.00 H new ATOM 984 N GLU A 63 -3.560 -18.025 -1.459 1.00 0.00 N ATOM 985 CA GLU A 63 -4.623 -18.803 -2.112 1.00 0.00 C ATOM 986 C GLU A 63 -5.775 -19.179 -1.173 1.00 0.00 C ATOM 987 O GLU A 63 -6.769 -19.760 -1.604 1.00 0.00 O ATOM 988 CB GLU A 63 -4.068 -20.064 -2.796 1.00 0.00 C ATOM 989 CG GLU A 63 -2.971 -19.731 -3.813 1.00 0.00 C ATOM 990 CD GLU A 63 -2.761 -20.793 -4.892 1.00 0.00 C ATOM 991 OE1 GLU A 63 -3.740 -21.412 -5.369 1.00 0.00 O ATOM 992 OE2 GLU A 63 -1.595 -20.944 -5.320 1.00 0.00 O ATOM 0 H GLU A 63 -2.650 -18.485 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.035 -18.138 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.668 -20.740 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.880 -20.591 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.216 -18.785 -4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.032 -19.583 -3.280 1.00 0.00 H new ATOM 999 N ASP A 64 -5.682 -18.862 0.112 1.00 0.00 N ATOM 1000 CA ASP A 64 -6.782 -18.916 1.064 1.00 0.00 C ATOM 1001 C ASP A 64 -7.720 -17.713 0.917 1.00 0.00 C ATOM 1002 O ASP A 64 -8.711 -17.669 1.642 1.00 0.00 O ATOM 1003 CB ASP A 64 -6.219 -18.994 2.495 1.00 0.00 C ATOM 1004 CG ASP A 64 -5.878 -20.416 2.934 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -5.918 -21.347 2.096 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -5.573 -20.638 4.124 1.00 0.00 O ATOM 0 H ASP A 64 -4.808 -18.549 0.534 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.371 -19.809 0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.323 -18.377 2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.947 -18.572 3.188 1.00 0.00 H new ATOM 1011 N ALA A 65 -7.461 -16.733 0.033 1.00 0.00 N ATOM 1012 CA ALA A 65 -8.246 -15.527 -0.180 1.00 0.00 C ATOM 1013 C ALA A 65 -8.130 -14.546 0.987 1.00 0.00 C ATOM 1014 O ALA A 65 -8.704 -13.458 0.901 1.00 0.00 O ATOM 1015 CB ALA A 65 -9.705 -15.862 -0.536 1.00 0.00 C ATOM 0 H ALA A 65 -6.649 -16.774 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.823 -15.012 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.264 -14.938 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.729 -16.456 -1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.157 -16.429 0.278 1.00 0.00 H new ATOM 1021 N HIS A 66 -7.413 -14.898 2.054 1.00 0.00 N ATOM 1022 CA HIS A 66 -7.157 -14.017 3.173 1.00 0.00 C ATOM 1023 C HIS A 66 -5.890 -13.203 2.940 1.00 0.00 C ATOM 1024 O HIS A 66 -5.065 -13.535 2.088 1.00 0.00 O ATOM 1025 CB HIS A 66 -7.165 -14.813 4.487 1.00 0.00 C ATOM 1026 CG HIS A 66 -6.091 -15.860 4.676 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -6.266 -17.076 5.301 1.00 0.00 N ATOM 1028 CD2 HIS A 66 -4.762 -15.749 4.368 1.00 0.00 C ATOM 1029 CE1 HIS A 66 -5.073 -17.695 5.346 1.00 0.00 C ATOM 1030 NE2 HIS A 66 -4.124 -16.900 4.827 1.00 0.00 N ATOM 0 H HIS A 66 -6.991 -15.821 2.158 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.959 -13.284 3.261 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.091 -14.103 5.311 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.134 -15.305 4.576 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.292 -14.919 3.861 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.903 -18.686 5.741 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.125 -17.100 4.778 1.00 0.00 H new ATOM 1038 N TRP A 67 -5.721 -12.170 3.760 1.00 0.00 N ATOM 1039 CA TRP A 67 -4.543 -11.329 3.826 1.00 0.00 C ATOM 1040 C TRP A 67 -3.815 -11.683 5.114 1.00 0.00 C ATOM 1041 O TRP A 67 -4.233 -11.267 6.194 1.00 0.00 O ATOM 1042 CB TRP A 67 -4.965 -9.862 3.754 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.297 -9.411 2.365 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.490 -9.499 1.734 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.374 -8.868 1.387 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.376 -8.989 0.453 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.088 -8.569 0.192 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -2.992 -8.607 1.407 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.457 -7.982 -0.916 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.348 -8.035 0.303 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -3.082 -7.698 -0.846 1.00 0.00 C ATOM 0 H TRP A 67 -6.440 -11.888 4.426 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.865 -11.492 2.988 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.832 -9.708 4.396 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.162 -9.240 4.149 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.393 -9.905 2.164 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.146 -8.931 -0.213 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.418 -8.852 2.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.019 -7.752 -1.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.284 -7.852 0.335 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.588 -7.219 -1.679 1.00 0.00 H new ATOM 1062 N HIS A 68 -2.803 -12.538 5.018 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.082 -13.044 6.176 1.00 0.00 C ATOM 1064 C HIS A 68 -1.055 -12.000 6.663 1.00 0.00 C ATOM 1065 O HIS A 68 -0.472 -11.316 5.814 1.00 0.00 O ATOM 1066 CB HIS A 68 -1.405 -14.359 5.762 1.00 0.00 C ATOM 1067 CG HIS A 68 -0.641 -14.996 6.884 1.00 0.00 C ATOM 1068 ND1 HIS A 68 0.662 -14.713 7.206 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -1.147 -15.824 7.849 1.00 0.00 C ATOM 1070 CE1 HIS A 68 0.935 -15.337 8.357 1.00 0.00 C ATOM 1071 NE2 HIS A 68 -0.137 -16.019 8.799 1.00 0.00 N ATOM 0 H HIS A 68 -2.459 -12.901 4.129 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.760 -13.231 7.009 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.163 -15.055 5.403 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.728 -14.168 4.930 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.140 -16.248 7.873 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.888 -15.299 8.864 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.201 -16.569 9.656 1.00 0.00 H new ATOM 1079 N PRO A 69 -0.797 -11.872 7.983 1.00 0.00 N ATOM 1080 CA PRO A 69 0.261 -11.026 8.535 1.00 0.00 C ATOM 1081 C PRO A 69 1.659 -11.551 8.210 1.00 0.00 C ATOM 1082 O PRO A 69 2.162 -12.520 8.791 1.00 0.00 O ATOM 1083 CB PRO A 69 0.041 -10.966 10.045 1.00 0.00 C ATOM 1084 CG PRO A 69 -0.730 -12.249 10.334 1.00 0.00 C ATOM 1085 CD PRO A 69 -1.573 -12.445 9.077 1.00 0.00 C ATOM 0 HA PRO A 69 0.208 -10.034 8.087 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.985 -10.932 10.589 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.526 -10.081 10.335 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.059 -13.091 10.504 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.352 -12.152 11.224 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.774 -13.502 8.902 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.539 -11.949 9.173 1.00 0.00 H new ATOM 1093 N ALA A 70 2.337 -10.830 7.330 1.00 0.00 N ATOM 1094 CA ALA A 70 3.737 -11.011 7.000 1.00 0.00 C ATOM 1095 C ALA A 70 4.662 -10.364 8.049 1.00 0.00 C ATOM 1096 O ALA A 70 5.829 -10.114 7.740 1.00 0.00 O ATOM 1097 CB ALA A 70 3.946 -10.455 5.592 1.00 0.00 C ATOM 0 H ALA A 70 1.905 -10.070 6.805 1.00 0.00 H new ATOM 0 HA ALA A 70 4.003 -12.068 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.991 -10.573 5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.314 -10.997 4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.682 -9.397 5.576 1.00 0.00 H new ATOM 1103 N ALA A 71 4.167 -10.125 9.276 1.00 0.00 N ATOM 1104 CA ALA A 71 4.844 -9.463 10.392 1.00 0.00 C ATOM 1105 C ALA A 71 5.101 -7.977 10.103 1.00 0.00 C ATOM 1106 O ALA A 71 4.933 -7.519 8.966 1.00 0.00 O ATOM 1107 CB ALA A 71 6.094 -10.265 10.799 1.00 0.00 C ATOM 0 H ALA A 71 3.220 -10.410 9.525 1.00 0.00 H new ATOM 0 HA ALA A 71 4.189 -9.456 11.263 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.592 -9.766 11.630 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.799 -11.269 11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.777 -10.329 9.952 1.00 0.00 H new ATOM 1113 N PRO A 72 5.447 -7.173 11.127 1.00 0.00 N ATOM 1114 CA PRO A 72 5.808 -5.791 10.895 1.00 0.00 C ATOM 1115 C PRO A 72 7.090 -5.654 10.073 1.00 0.00 C ATOM 1116 O PRO A 72 7.902 -6.585 9.967 1.00 0.00 O ATOM 1117 CB PRO A 72 5.953 -5.140 12.265 1.00 0.00 C ATOM 1118 CG PRO A 72 6.244 -6.315 13.191 1.00 0.00 C ATOM 1119 CD PRO A 72 5.411 -7.427 12.562 1.00 0.00 C ATOM 0 HA PRO A 72 5.036 -5.296 10.306 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.762 -4.409 12.278 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.044 -4.615 12.557 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.305 -6.563 13.214 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.942 -6.110 14.218 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.823 -8.408 12.798 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.388 -7.412 12.938 1.00 0.00 H new ATOM 1127 N LEU A 73 7.284 -4.445 9.549 1.00 0.00 N ATOM 1128 CA LEU A 73 8.342 -4.067 8.626 1.00 0.00 C ATOM 1129 C LEU A 73 9.221 -2.974 9.250 1.00 0.00 C ATOM 1130 O LEU A 73 8.681 -2.121 9.963 1.00 0.00 O ATOM 1131 CB LEU A 73 7.658 -3.561 7.341 1.00 0.00 C ATOM 1132 CG LEU A 73 8.534 -3.433 6.086 1.00 0.00 C ATOM 1133 CD1 LEU A 73 8.907 -4.799 5.500 1.00 0.00 C ATOM 1134 CD2 LEU A 73 7.784 -2.633 5.016 1.00 0.00 C ATOM 0 H LEU A 73 6.670 -3.662 9.773 1.00 0.00 H new ATOM 0 HA LEU A 73 8.991 -4.913 8.401 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.832 -4.234 7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.224 -2.584 7.551 1.00 0.00 H new ATOM 0 HG LEU A 73 9.451 -2.924 6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.526 -4.658 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.460 -5.374 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.000 -5.337 5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.407 -2.543 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.857 -3.147 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.553 -1.639 5.400 1.00 0.00 H new ATOM 1146 N PRO A 74 10.535 -2.932 8.968 1.00 0.00 N ATOM 1147 CA PRO A 74 11.394 -1.846 9.422 1.00 0.00 C ATOM 1148 C PRO A 74 11.039 -0.523 8.734 1.00 0.00 C ATOM 1149 O PRO A 74 10.435 -0.528 7.656 1.00 0.00 O ATOM 1150 CB PRO A 74 12.818 -2.282 9.061 1.00 0.00 C ATOM 1151 CG PRO A 74 12.629 -3.233 7.888 1.00 0.00 C ATOM 1152 CD PRO A 74 11.323 -3.926 8.252 1.00 0.00 C ATOM 0 HA PRO A 74 11.278 -1.667 10.491 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.439 -1.429 8.787 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.308 -2.776 9.900 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.559 -2.702 6.939 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.455 -3.939 7.798 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.801 -4.271 7.359 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.505 -4.803 8.873 1.00 0.00 H new ATOM 1160 N PRO A 75 11.513 0.616 9.269 1.00 0.00 N ATOM 1161 CA PRO A 75 11.269 1.925 8.682 1.00 0.00 C ATOM 1162 C PRO A 75 11.797 2.028 7.250 1.00 0.00 C ATOM 1163 O PRO A 75 11.196 2.708 6.418 1.00 0.00 O ATOM 1164 CB PRO A 75 11.934 2.928 9.630 1.00 0.00 C ATOM 1165 CG PRO A 75 12.979 2.109 10.380 1.00 0.00 C ATOM 1166 CD PRO A 75 12.310 0.743 10.481 1.00 0.00 C ATOM 0 HA PRO A 75 10.202 2.125 8.585 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.393 3.750 9.080 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.209 3.368 10.314 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.923 2.060 9.838 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.197 2.529 11.362 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.051 -0.054 10.550 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.685 0.676 11.372 1.00 0.00 H new ATOM 1174 N GLU A 76 12.903 1.353 6.936 1.00 0.00 N ATOM 1175 CA GLU A 76 13.508 1.385 5.614 1.00 0.00 C ATOM 1176 C GLU A 76 12.744 0.496 4.634 1.00 0.00 C ATOM 1177 O GLU A 76 12.779 0.765 3.436 1.00 0.00 O ATOM 1178 CB GLU A 76 14.979 0.966 5.710 1.00 0.00 C ATOM 1179 CG GLU A 76 15.175 -0.447 6.259 1.00 0.00 C ATOM 1180 CD GLU A 76 16.650 -0.742 6.460 1.00 0.00 C ATOM 1181 OE1 GLU A 76 17.313 -1.112 5.467 1.00 0.00 O ATOM 1182 OE2 GLU A 76 17.157 -0.582 7.593 1.00 0.00 O ATOM 0 H GLU A 76 13.405 0.765 7.601 1.00 0.00 H new ATOM 0 HA GLU A 76 13.457 2.404 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.432 1.029 4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.509 1.672 6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.645 -0.552 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.744 -1.174 5.570 1.00 0.00 H new ATOM 1189 N GLY A 77 12.026 -0.524 5.125 1.00 0.00 N ATOM 1190 CA GLY A 77 11.368 -1.475 4.245 1.00 0.00 C ATOM 1191 C GLY A 77 10.272 -0.823 3.396 1.00 0.00 C ATOM 1192 O GLY A 77 10.023 -1.251 2.267 1.00 0.00 O ATOM 0 H GLY A 77 11.892 -0.703 6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.109 -1.932 3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.933 -2.277 4.841 1.00 0.00 H new ATOM 1196 N LEU A 78 9.649 0.242 3.917 1.00 0.00 N ATOM 1197 CA LEU A 78 8.739 1.120 3.183 1.00 0.00 C ATOM 1198 C LEU A 78 9.444 1.671 1.946 1.00 0.00 C ATOM 1199 O LEU A 78 8.944 1.572 0.823 1.00 0.00 O ATOM 1200 CB LEU A 78 8.289 2.262 4.113 1.00 0.00 C ATOM 1201 CG LEU A 78 7.522 3.408 3.419 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.236 2.919 2.741 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.171 4.485 4.451 1.00 0.00 C ATOM 0 H LEU A 78 9.770 0.522 4.890 1.00 0.00 H new ATOM 0 HA LEU A 78 7.861 0.563 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.656 1.844 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.169 2.679 4.603 1.00 0.00 H new ATOM 0 HG LEU A 78 8.171 3.816 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.732 3.761 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.484 2.173 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.577 2.475 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.629 5.295 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.547 4.051 5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.087 4.877 4.894 1.00 0.00 H new ATOM 1215 N ASN A 79 10.619 2.264 2.149 1.00 0.00 N ATOM 1216 CA ASN A 79 11.350 2.957 1.107 1.00 0.00 C ATOM 1217 C ASN A 79 11.784 1.998 0.003 1.00 0.00 C ATOM 1218 O ASN A 79 11.949 2.425 -1.135 1.00 0.00 O ATOM 1219 CB ASN A 79 12.562 3.695 1.671 1.00 0.00 C ATOM 1220 CG ASN A 79 12.203 4.797 2.658 1.00 0.00 C ATOM 1221 OD1 ASN A 79 11.111 4.850 3.217 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.116 5.705 2.931 1.00 0.00 N ATOM 0 H ASN A 79 11.090 2.273 3.054 1.00 0.00 H new ATOM 0 HA ASN A 79 10.672 3.694 0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.216 2.976 2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.128 4.128 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.914 6.446 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.026 5.668 2.471 1.00 0.00 H new ATOM 1229 N ASP A 80 11.950 0.706 0.299 1.00 0.00 N ATOM 1230 CA ASP A 80 12.306 -0.317 -0.689 1.00 0.00 C ATOM 1231 C ASP A 80 11.150 -0.648 -1.631 1.00 0.00 C ATOM 1232 O ASP A 80 11.389 -1.191 -2.712 1.00 0.00 O ATOM 1233 CB ASP A 80 12.751 -1.616 0.001 1.00 0.00 C ATOM 1234 CG ASP A 80 14.047 -1.464 0.790 1.00 0.00 C ATOM 1235 OD1 ASP A 80 14.978 -0.799 0.278 1.00 0.00 O ATOM 1236 OD2 ASP A 80 14.183 -2.069 1.876 1.00 0.00 O ATOM 0 H ASP A 80 11.840 0.336 1.243 1.00 0.00 H new ATOM 0 HA ASP A 80 13.125 0.103 -1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.961 -1.952 0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.881 -2.394 -0.752 1.00 0.00 H new ATOM 1241 N LEU A 81 9.904 -0.350 -1.254 1.00 0.00 N ATOM 1242 CA LEU A 81 8.761 -0.395 -2.157 1.00 0.00 C ATOM 1243 C LEU A 81 8.696 0.912 -2.943 1.00 0.00 C ATOM 1244 O LEU A 81 8.607 0.884 -4.172 1.00 0.00 O ATOM 1245 CB LEU A 81 7.462 -0.640 -1.369 1.00 0.00 C ATOM 1246 CG LEU A 81 7.323 -2.084 -0.853 1.00 0.00 C ATOM 1247 CD1 LEU A 81 6.198 -2.207 0.173 1.00 0.00 C ATOM 1248 CD2 LEU A 81 7.031 -3.036 -2.016 1.00 0.00 C ATOM 0 H LEU A 81 9.663 -0.069 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 81 8.877 -1.222 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.425 0.046 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.609 -0.406 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 81 8.266 -2.350 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.129 -3.240 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.407 -1.557 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.254 -1.913 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.935 -4.054 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.102 -2.741 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.848 -2.992 -2.736 1.00 0.00 H new ATOM 1260 N ILE A 82 8.762 2.049 -2.241 1.00 0.00 N ATOM 1261 CA ILE A 82 8.748 3.409 -2.794 1.00 0.00 C ATOM 1262 C ILE A 82 9.778 3.575 -3.905 1.00 0.00 C ATOM 1263 O ILE A 82 9.455 4.156 -4.940 1.00 0.00 O ATOM 1264 CB ILE A 82 8.941 4.412 -1.638 1.00 0.00 C ATOM 1265 CG1 ILE A 82 7.639 4.546 -0.824 1.00 0.00 C ATOM 1266 CG2 ILE A 82 9.539 5.780 -2.011 1.00 0.00 C ATOM 1267 CD1 ILE A 82 6.601 5.493 -1.443 1.00 0.00 C ATOM 0 H ILE A 82 8.830 2.046 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 82 7.786 3.608 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 82 9.721 3.975 -1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.191 3.559 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.885 4.900 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.626 6.396 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.526 5.638 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.889 6.277 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.716 5.529 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.027 6.493 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.322 5.130 -2.432 1.00 0.00 H new ATOM 1279 N ARG A 83 10.972 2.998 -3.739 1.00 0.00 N ATOM 1280 CA ARG A 83 12.048 2.997 -4.725 1.00 0.00 C ATOM 1281 C ARG A 83 11.506 2.675 -6.118 1.00 0.00 C ATOM 1282 O ARG A 83 11.884 3.346 -7.071 1.00 0.00 O ATOM 1283 CB ARG A 83 13.152 2.002 -4.278 1.00 0.00 C ATOM 1284 CG ARG A 83 14.533 2.641 -4.024 1.00 0.00 C ATOM 1285 CD ARG A 83 15.639 2.080 -4.931 1.00 0.00 C ATOM 1286 NE ARG A 83 15.494 2.534 -6.326 1.00 0.00 N ATOM 1287 CZ ARG A 83 16.009 1.941 -7.411 1.00 0.00 C ATOM 1288 NH1 ARG A 83 16.736 0.831 -7.343 1.00 0.00 N ATOM 1289 NH2 ARG A 83 15.809 2.471 -8.605 1.00 0.00 N ATOM 0 H ARG A 83 11.221 2.502 -2.883 1.00 0.00 H new ATOM 0 HA ARG A 83 12.492 3.991 -4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.825 1.503 -3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.258 1.232 -5.042 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.460 3.718 -4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.812 2.483 -2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.612 2.388 -4.549 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.615 0.991 -4.900 1.00 0.00 H new ATOM 0 HE ARG A 83 14.949 3.382 -6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.921 0.397 -6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.109 0.413 -8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.264 3.328 -8.698 1.00 0.00 H new ATOM 0 HH22 ARG A 83 16.199 2.023 -9.434 1.00 0.00 H new ATOM 1303 N ALA A 84 10.591 1.707 -6.229 1.00 0.00 N ATOM 1304 CA ALA A 84 10.019 1.290 -7.497 1.00 0.00 C ATOM 1305 C ALA A 84 9.015 2.301 -8.067 1.00 0.00 C ATOM 1306 O ALA A 84 9.082 2.596 -9.259 1.00 0.00 O ATOM 1307 CB ALA A 84 9.400 -0.103 -7.324 1.00 0.00 C ATOM 0 H ALA A 84 10.228 1.190 -5.428 1.00 0.00 H new ATOM 0 HA ALA A 84 10.818 1.244 -8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.966 -0.428 -8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.172 -0.809 -7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.621 -0.063 -6.562 1.00 0.00 H new ATOM 1313 N HIS A 85 8.096 2.850 -7.261 1.00 0.00 N ATOM 1314 CA HIS A 85 7.150 3.861 -7.749 1.00 0.00 C ATOM 1315 C HIS A 85 7.935 5.096 -8.200 1.00 0.00 C ATOM 1316 O HIS A 85 7.714 5.614 -9.294 1.00 0.00 O ATOM 1317 CB HIS A 85 6.067 4.168 -6.694 1.00 0.00 C ATOM 1318 CG HIS A 85 5.158 5.353 -6.978 1.00 0.00 C ATOM 1319 ND1 HIS A 85 3.782 5.363 -7.177 1.00 0.00 N ATOM 1320 CD2 HIS A 85 5.558 6.664 -6.934 1.00 0.00 C ATOM 1321 CE1 HIS A 85 3.392 6.649 -7.258 1.00 0.00 C ATOM 1322 NE2 HIS A 85 4.439 7.470 -7.092 1.00 0.00 N ATOM 0 H HIS A 85 7.988 2.613 -6.275 1.00 0.00 H new ATOM 0 HA HIS A 85 6.605 3.482 -8.613 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.444 3.281 -6.577 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.561 4.339 -5.738 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.572 7.011 -6.799 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.377 6.974 -7.432 1.00 0.00 H new ATOM 0 HE2 HIS A 85 4.417 8.490 -7.083 1.00 0.00 H new ATOM 1330 N CYS A 86 8.910 5.539 -7.404 1.00 0.00 N ATOM 1331 CA CYS A 86 9.728 6.677 -7.790 1.00 0.00 C ATOM 1332 C CYS A 86 10.522 6.389 -9.059 1.00 0.00 C ATOM 1333 O CYS A 86 10.616 7.279 -9.901 1.00 0.00 O ATOM 1334 CB CYS A 86 10.692 7.062 -6.664 1.00 0.00 C ATOM 1335 SG CYS A 86 9.795 7.742 -5.243 1.00 0.00 S ATOM 0 H CYS A 86 9.146 5.129 -6.500 1.00 0.00 H new ATOM 0 HA CYS A 86 9.050 7.508 -7.984 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.262 6.186 -6.353 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.410 7.796 -7.030 1.00 0.00 H new ATOM 0 HG CYS A 86 10.636 8.017 -4.290 1.00 0.00 H new ATOM 1341 N ALA A 87 11.083 5.185 -9.204 1.00 0.00 N ATOM 1342 CA ALA A 87 11.888 4.823 -10.360 1.00 0.00 C ATOM 1343 C ALA A 87 11.068 4.715 -11.641 1.00 0.00 C ATOM 1344 O ALA A 87 11.594 5.009 -12.716 1.00 0.00 O ATOM 1345 CB ALA A 87 12.606 3.495 -10.104 1.00 0.00 C ATOM 0 H ALA A 87 10.988 4.436 -8.518 1.00 0.00 H new ATOM 0 HA ALA A 87 12.612 5.625 -10.502 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.206 3.232 -10.975 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.254 3.594 -9.233 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.870 2.712 -9.921 1.00 0.00 H new ATOM 1351 N THR A 88 9.805 4.282 -11.567 1.00 0.00 N ATOM 1352 CA THR A 88 9.015 4.128 -12.782 1.00 0.00 C ATOM 1353 C THR A 88 8.602 5.516 -13.290 1.00 0.00 C ATOM 1354 O THR A 88 8.663 5.775 -14.496 1.00 0.00 O ATOM 1355 CB THR A 88 7.890 3.088 -12.583 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.317 2.719 -13.815 1.00 0.00 O ATOM 1357 CG2 THR A 88 6.737 3.476 -11.666 1.00 0.00 C ATOM 0 H THR A 88 9.323 4.039 -10.702 1.00 0.00 H new ATOM 0 HA THR A 88 9.600 3.695 -13.593 1.00 0.00 H new ATOM 0 HB THR A 88 8.423 2.274 -12.092 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.609 2.059 -13.662 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.020 2.656 -11.616 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.121 3.684 -10.667 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.244 4.366 -12.058 1.00 0.00 H new ATOM 1365 N LEU A 89 8.255 6.442 -12.390 1.00 0.00 N ATOM 1366 CA LEU A 89 7.715 7.745 -12.776 1.00 0.00 C ATOM 1367 C LEU A 89 8.856 8.725 -13.016 1.00 0.00 C ATOM 1368 O LEU A 89 8.978 9.270 -14.112 1.00 0.00 O ATOM 1369 CB LEU A 89 6.720 8.248 -11.718 1.00 0.00 C ATOM 1370 CG LEU A 89 5.559 7.262 -11.470 1.00 0.00 C ATOM 1371 CD1 LEU A 89 4.591 7.791 -10.428 1.00 0.00 C ATOM 1372 CD2 LEU A 89 4.769 6.934 -12.742 1.00 0.00 C ATOM 0 H LEU A 89 8.340 6.309 -11.382 1.00 0.00 H new ATOM 0 HA LEU A 89 7.161 7.651 -13.710 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.250 8.421 -10.781 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.313 9.208 -12.036 1.00 0.00 H new ATOM 0 HG LEU A 89 6.033 6.348 -11.111 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.787 7.070 -10.279 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.118 7.945 -9.487 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.172 8.738 -10.768 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.967 6.236 -12.502 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.343 7.850 -13.152 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.435 6.482 -13.477 1.00 0.00 H new ATOM 1384 N GLY A 90 9.759 8.845 -12.047 1.00 0.00 N ATOM 1385 CA GLY A 90 10.913 9.726 -12.061 1.00 0.00 C ATOM 1386 C GLY A 90 10.762 10.755 -10.949 1.00 0.00 C ATOM 1387 O GLY A 90 10.728 11.955 -11.223 1.00 0.00 O ATOM 0 H GLY A 90 9.698 8.300 -11.187 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.828 9.151 -11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.995 10.224 -13.027 1.00 0.00 H new ATOM 1391 N HIS A 91 10.631 10.299 -9.701 1.00 0.00 N ATOM 1392 CA HIS A 91 10.386 11.158 -8.543 1.00 0.00 C ATOM 1393 C HIS A 91 11.562 11.110 -7.571 1.00 0.00 C ATOM 1394 O HIS A 91 12.410 10.215 -7.659 1.00 0.00 O ATOM 1395 CB HIS A 91 9.090 10.728 -7.857 1.00 0.00 C ATOM 1396 CG HIS A 91 7.862 10.831 -8.722 1.00 0.00 C ATOM 1397 ND1 HIS A 91 6.710 10.121 -8.532 1.00 0.00 N flip ATOM 1398 CD2 HIS A 91 7.635 11.730 -9.747 1.00 0.00 C flip ATOM 1399 CE1 HIS A 91 5.765 10.612 -9.428 1.00 0.00 C flip ATOM 1400 NE2 HIS A 91 6.359 11.582 -10.136 1.00 0.00 N flip ATOM 0 H HIS A 91 10.693 9.309 -9.465 1.00 0.00 H new ATOM 0 HA HIS A 91 10.283 12.190 -8.880 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.197 9.697 -7.521 1.00 0.00 H new ATOM 0 HB3 HIS A 91 8.944 11.340 -6.967 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.353 12.424 -10.159 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.744 10.274 -9.533 1.00 0.00 H new ATOM 0 HE2 HIS A 91 5.906 12.130 -10.867 1.00 0.00 H new ATOM 1494 N HIS A 98 14.203 8.823 1.665 1.00 0.00 N ATOM 1495 CA HIS A 98 13.086 8.911 0.737 1.00 0.00 C ATOM 1496 C HIS A 98 11.892 9.591 1.402 1.00 0.00 C ATOM 1497 O HIS A 98 11.305 10.494 0.804 1.00 0.00 O ATOM 1498 CB HIS A 98 12.715 7.534 0.141 1.00 0.00 C ATOM 1499 CG HIS A 98 12.875 7.476 -1.360 1.00 0.00 C ATOM 1500 ND1 HIS A 98 13.718 6.641 -2.060 1.00 0.00 N ATOM 1501 CD2 HIS A 98 12.239 8.274 -2.270 1.00 0.00 C ATOM 1502 CE1 HIS A 98 13.596 6.940 -3.364 1.00 0.00 C ATOM 1503 NE2 HIS A 98 12.713 7.935 -3.543 1.00 0.00 N ATOM 0 HA HIS A 98 13.397 9.530 -0.105 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.341 6.767 0.597 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.683 7.299 0.400 1.00 0.00 H new ATOM 0 HD1 HIS A 98 14.325 5.925 -1.660 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.502 9.031 -2.047 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.135 6.447 -4.160 1.00 0.00 H new ATOM 1511 N LEU A 99 11.531 9.114 2.601 1.00 0.00 N ATOM 1512 CA LEU A 99 10.322 9.447 3.357 1.00 0.00 C ATOM 1513 C LEU A 99 10.565 9.235 4.836 1.00 0.00 C ATOM 1514 O LEU A 99 11.491 8.514 5.216 1.00 0.00 O ATOM 1515 CB LEU A 99 9.197 8.494 2.958 1.00 0.00 C ATOM 1516 CG LEU A 99 8.693 8.696 1.527 1.00 0.00 C ATOM 1517 CD1 LEU A 99 7.683 7.594 1.294 1.00 0.00 C ATOM 1518 CD2 LEU A 99 8.036 10.069 1.326 1.00 0.00 C ATOM 0 H LEU A 99 12.115 8.442 3.098 1.00 0.00 H new ATOM 0 HA LEU A 99 10.061 10.484 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.547 7.468 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.363 8.622 3.648 1.00 0.00 H new ATOM 0 HG LEU A 99 9.524 8.659 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.279 7.678 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.168 6.625 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.873 7.684 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.696 10.162 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.184 10.167 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.761 10.854 1.541 1.00 0.00 H new ATOM 1530 N HIS A 100 9.693 9.812 5.659 1.00 0.00 N ATOM 1531 CA HIS A 100 9.626 9.537 7.083 1.00 0.00 C ATOM 1532 C HIS A 100 8.744 8.330 7.409 1.00 0.00 C ATOM 1533 O HIS A 100 9.047 7.610 8.354 1.00 0.00 O ATOM 1534 CB HIS A 100 9.085 10.795 7.765 1.00 0.00 C ATOM 1535 CG HIS A 100 8.982 10.765 9.264 1.00 0.00 C ATOM 1536 ND1 HIS A 100 8.028 11.449 9.974 1.00 0.00 N ATOM 1537 CD2 HIS A 100 9.802 10.133 10.162 1.00 0.00 C ATOM 1538 CE1 HIS A 100 8.270 11.247 11.275 1.00 0.00 C ATOM 1539 NE2 HIS A 100 9.357 10.475 11.443 1.00 0.00 N ATOM 0 H HIS A 100 9.003 10.495 5.345 1.00 0.00 H new ATOM 0 HA HIS A 100 10.623 9.286 7.446 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.723 11.633 7.486 1.00 0.00 H new ATOM 0 HB3 HIS A 100 8.094 11.000 7.361 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.637 9.490 9.925 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.673 11.650 12.080 1.00 0.00 H new ATOM 0 HE2 HIS A 100 9.775 10.194 12.330 1.00 0.00 H new ATOM 1547 N SER A 101 7.631 8.139 6.693 1.00 0.00 N ATOM 1548 CA SER A 101 6.570 7.205 7.121 1.00 0.00 C ATOM 1549 C SER A 101 5.479 7.014 6.050 1.00 0.00 C ATOM 1550 O SER A 101 5.555 7.614 4.979 1.00 0.00 O ATOM 1551 CB SER A 101 5.958 7.693 8.448 1.00 0.00 C ATOM 1552 OG SER A 101 5.295 6.651 9.145 1.00 0.00 O ATOM 0 H SER A 101 7.436 8.617 5.813 1.00 0.00 H new ATOM 0 HA SER A 101 7.029 6.227 7.267 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.745 8.107 9.079 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.253 8.500 8.247 1.00 0.00 H new ATOM 0 HG SER A 101 4.923 7.002 9.981 1.00 0.00 H new ATOM 1558 N VAL A 102 4.443 6.203 6.327 1.00 0.00 N ATOM 1559 CA VAL A 102 3.350 5.919 5.392 1.00 0.00 C ATOM 1560 C VAL A 102 2.485 7.163 5.156 1.00 0.00 C ATOM 1561 O VAL A 102 2.062 7.399 4.029 1.00 0.00 O ATOM 1562 CB VAL A 102 2.493 4.740 5.908 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.381 4.334 4.924 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.353 3.503 6.179 1.00 0.00 C ATOM 0 H VAL A 102 4.344 5.721 7.221 1.00 0.00 H new ATOM 0 HA VAL A 102 3.787 5.635 4.435 1.00 0.00 H new ATOM 0 HB VAL A 102 2.037 5.099 6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.813 3.502 5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.715 5.181 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.826 4.031 3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.721 2.692 6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.847 3.195 5.258 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.105 3.740 6.932 1.00 0.00 H new ATOM 1574 N MET A 103 2.200 7.963 6.189 1.00 0.00 N ATOM 1575 CA MET A 103 1.424 9.195 6.032 1.00 0.00 C ATOM 1576 C MET A 103 2.163 10.116 5.064 1.00 0.00 C ATOM 1577 O MET A 103 1.571 10.651 4.129 1.00 0.00 O ATOM 1578 CB MET A 103 1.240 9.864 7.401 1.00 0.00 C ATOM 1579 CG MET A 103 0.277 11.058 7.379 1.00 0.00 C ATOM 1580 SD MET A 103 -1.090 10.923 8.564 1.00 0.00 S ATOM 1581 CE MET A 103 -2.036 9.589 7.782 1.00 0.00 C ATOM 0 H MET A 103 2.497 7.777 7.147 1.00 0.00 H new ATOM 0 HA MET A 103 0.435 8.976 5.628 1.00 0.00 H new ATOM 0 HB2 MET A 103 0.871 9.124 8.111 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.211 10.198 7.766 1.00 0.00 H new ATOM 0 HG2 MET A 103 0.838 11.969 7.589 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.135 11.162 6.375 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.921 9.371 8.380 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.341 9.897 6.782 1.00 0.00 H new ATOM 0 HE3 MET A 103 -1.416 8.695 7.713 1.00 0.00 H new ATOM 1591 N ASP A 104 3.476 10.218 5.276 1.00 0.00 N ATOM 1592 CA ASP A 104 4.450 10.928 4.461 1.00 0.00 C ATOM 1593 C ASP A 104 4.354 10.463 3.011 1.00 0.00 C ATOM 1594 O ASP A 104 4.236 11.290 2.111 1.00 0.00 O ATOM 1595 CB ASP A 104 5.855 10.653 5.035 1.00 0.00 C ATOM 1596 CG ASP A 104 6.603 11.912 5.422 1.00 0.00 C ATOM 1597 OD1 ASP A 104 6.075 12.670 6.271 1.00 0.00 O ATOM 1598 OD2 ASP A 104 7.775 12.060 5.017 1.00 0.00 O ATOM 0 H ASP A 104 3.914 9.772 6.082 1.00 0.00 H new ATOM 0 HA ASP A 104 4.253 12.000 4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.762 10.010 5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 104 6.440 10.104 4.297 1.00 0.00 H new ATOM 1603 N ALA A 105 4.363 9.141 2.796 1.00 0.00 N ATOM 1604 CA ALA A 105 4.267 8.509 1.489 1.00 0.00 C ATOM 1605 C ALA A 105 2.978 8.898 0.781 1.00 0.00 C ATOM 1606 O ALA A 105 3.008 9.367 -0.347 1.00 0.00 O ATOM 1607 CB ALA A 105 4.308 6.975 1.631 1.00 0.00 C ATOM 0 H ALA A 105 4.440 8.466 3.557 1.00 0.00 H new ATOM 0 HA ALA A 105 5.116 8.852 0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.235 6.516 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.246 6.678 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.472 6.644 2.248 1.00 0.00 H new ATOM 1613 N ILE A 106 1.839 8.654 1.417 1.00 0.00 N ATOM 1614 CA ILE A 106 0.527 8.854 0.822 1.00 0.00 C ATOM 1615 C ILE A 106 0.388 10.329 0.442 1.00 0.00 C ATOM 1616 O ILE A 106 -0.112 10.633 -0.640 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.533 8.402 1.844 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.423 6.888 2.134 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -1.960 8.804 1.444 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -1.231 5.976 1.211 1.00 0.00 C ATOM 0 H ILE A 106 1.802 8.306 2.375 1.00 0.00 H new ATOM 0 HA ILE A 106 0.392 8.266 -0.086 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.319 8.936 2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.626 6.600 2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.742 6.709 3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.662 8.458 2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.022 9.889 1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.210 8.351 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.081 4.937 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.289 6.225 1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.900 6.114 0.182 1.00 0.00 H new ATOM 1632 N ASP A 107 0.862 11.226 1.311 1.00 0.00 N ATOM 1633 CA ASP A 107 0.881 12.662 1.071 1.00 0.00 C ATOM 1634 C ASP A 107 1.709 12.978 -0.163 1.00 0.00 C ATOM 1635 O ASP A 107 1.232 13.688 -1.044 1.00 0.00 O ATOM 1636 CB ASP A 107 1.458 13.394 2.273 1.00 0.00 C ATOM 1637 CG ASP A 107 1.304 14.907 2.134 1.00 0.00 C ATOM 1638 OD1 ASP A 107 0.215 15.429 2.456 1.00 0.00 O ATOM 1639 OD2 ASP A 107 2.269 15.581 1.703 1.00 0.00 O ATOM 0 H ASP A 107 1.250 10.964 2.217 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.144 12.996 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.956 13.058 3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.513 13.143 2.381 1.00 0.00 H new ATOM 1644 N PHE A 108 2.925 12.420 -0.199 1.00 0.00 N ATOM 1645 CA PHE A 108 3.909 12.542 -1.271 1.00 0.00 C ATOM 1646 C PHE A 108 3.287 12.126 -2.601 1.00 0.00 C ATOM 1647 O PHE A 108 3.088 12.980 -3.454 1.00 0.00 O ATOM 1648 CB PHE A 108 5.194 11.745 -0.949 1.00 0.00 C ATOM 1649 CG PHE A 108 6.313 11.882 -1.971 1.00 0.00 C ATOM 1650 CD1 PHE A 108 6.875 13.146 -2.240 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.799 10.747 -2.654 1.00 0.00 C ATOM 1652 CE1 PHE A 108 7.906 13.282 -3.184 1.00 0.00 C ATOM 1653 CE2 PHE A 108 7.827 10.880 -3.606 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.373 12.148 -3.868 1.00 0.00 C ATOM 0 H PHE A 108 3.264 11.838 0.567 1.00 0.00 H new ATOM 0 HA PHE A 108 4.209 13.586 -1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.569 12.068 0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 108 4.935 10.690 -0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.510 14.017 -1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.381 9.773 -2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.337 14.252 -3.383 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.194 10.012 -4.133 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.159 12.251 -4.602 1.00 0.00 H new ATOM 1664 N LEU A 109 2.951 10.844 -2.779 1.00 0.00 N ATOM 1665 CA LEU A 109 2.349 10.293 -3.983 1.00 0.00 C ATOM 1666 C LEU A 109 1.177 11.145 -4.469 1.00 0.00 C ATOM 1667 O LEU A 109 1.129 11.512 -5.641 1.00 0.00 O ATOM 1668 CB LEU A 109 1.889 8.854 -3.709 1.00 0.00 C ATOM 1669 CG LEU A 109 3.015 7.810 -3.810 1.00 0.00 C ATOM 1670 CD1 LEU A 109 3.948 7.688 -2.612 1.00 0.00 C ATOM 1671 CD2 LEU A 109 2.387 6.436 -4.063 1.00 0.00 C ATOM 0 H LEU A 109 3.100 10.140 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 109 3.099 10.294 -4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.451 8.807 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.101 8.594 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 109 3.644 8.165 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.695 6.919 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.446 8.642 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.372 7.415 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.173 5.685 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.720 6.183 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.820 6.461 -4.994 1.00 0.00 H new ATOM 1683 N ASN A 110 0.243 11.478 -3.575 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.953 12.222 -3.957 1.00 0.00 C ATOM 1685 C ASN A 110 -0.705 13.724 -4.112 1.00 0.00 C ATOM 1686 O ASN A 110 -1.638 14.450 -4.454 1.00 0.00 O ATOM 1687 CB ASN A 110 -2.068 11.994 -2.930 1.00 0.00 C ATOM 1688 CG ASN A 110 -2.704 10.619 -3.038 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.430 10.332 -3.982 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.506 9.770 -2.049 1.00 0.00 N ATOM 0 H ASN A 110 0.294 11.243 -2.584 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.252 11.842 -4.934 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.662 12.122 -1.927 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.837 12.755 -3.062 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -2.961 8.857 -2.062 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.898 10.026 -1.271 1.00 0.00 H new ATOM 1697 N ALA A 111 0.488 14.227 -3.807 1.00 0.00 N ATOM 1698 CA ALA A 111 0.896 15.590 -4.121 1.00 0.00 C ATOM 1699 C ALA A 111 1.754 15.632 -5.386 1.00 0.00 C ATOM 1700 O ALA A 111 1.785 16.663 -6.057 1.00 0.00 O ATOM 1701 CB ALA A 111 1.669 16.183 -2.946 1.00 0.00 C ATOM 0 H ALA A 111 1.209 13.689 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.001 16.182 -4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.971 17.202 -3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.034 16.193 -2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.555 15.578 -2.751 1.00 0.00 H new ATOM 1707 N LEU A 112 2.437 14.533 -5.717 1.00 0.00 N ATOM 1708 CA LEU A 112 3.199 14.384 -6.942 1.00 0.00 C ATOM 1709 C LEU A 112 2.239 14.477 -8.112 1.00 0.00 C ATOM 1710 O LEU A 112 2.410 15.350 -8.964 1.00 0.00 O ATOM 1711 CB LEU A 112 3.925 13.029 -6.983 1.00 0.00 C ATOM 1712 CG LEU A 112 5.143 12.911 -6.057 1.00 0.00 C ATOM 1713 CD1 LEU A 112 5.489 11.430 -5.842 1.00 0.00 C ATOM 1714 CD2 LEU A 112 6.325 13.682 -6.641 1.00 0.00 C ATOM 0 H LEU A 112 2.471 13.706 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 112 3.952 15.171 -6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.213 12.246 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.247 12.839 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 112 4.907 13.349 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.354 11.350 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.639 10.920 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.719 10.967 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.183 13.591 -5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.579 13.273 -7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.057 14.733 -6.746 1.00 0.00 H new