USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=15 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 79 ASN : amide:sc= -0.897 K(o=-4.1,f=-7.5!) USER MOD Set 1.2: A 85 HIS : no HE2:sc= -2.46! C(o=-4.1!,f=-7.8!) USER MOD Set 1.3: A 86 CYS SG : rot -150:sc= -0.276 USER MOD Set 1.4: A 98 HIS : no HD1:sc= -0.516 K(o=-4.1,f=-11!) USER MOD Set 2.1: A 19 GLN : amide:sc= 1.14 K(o=1.1,f=-0.38) USER MOD Set 2.2: A 22 CYS SG : rot 180:sc= -0.0307 USER MOD Single : A 6 THR OG1 : rot -16:sc= 0.465 USER MOD Single : A 8 HIS : no HD1:sc= -0.507 K(o=-0.51,f=-2.9!) USER MOD Single : A 10 GLN : amide:sc=-0.00978 X(o=-0.0098,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0281) USER MOD Single : A 20 GLN : amide:sc= -0.446 K(o=-0.45,f=-1.6) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.228 USER MOD Single : A 31 ASN : amide:sc= -0.305 K(o=-0.31,f=-2.2!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) 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 60:sc= 0.147 USER MOD Single : A 55 ASN : amide:sc= 0.771 K(o=0.77,f=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=-0.087) USER MOD Single : A 58 CYS SG : rot 9:sc= 1.24 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.116 F(o=-0.9,f=-0.12) USER MOD Single : A 68 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.047) USER MOD Single : A 88 THR OG1 : rot -36:sc= 0.0126 USER MOD Single : A 91 HIS : no HE2:sc= -1.98 X(o=-2,f=-2.2!) USER MOD Single : A 100 HIS : no HE2:sc= 0.909 K(o=0.91,f=-2.8!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -177:sc= -0.0134 (180deg=-0.0427) USER MOD Single : A 110 ASN : amide:sc= 0.135 K(o=0.13,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 6 -13.120 -5.691 3.885 1.00 0.00 N ATOM 60 CA THR A 6 -11.914 -5.003 4.334 1.00 0.00 C ATOM 61 C THR A 6 -10.678 -5.879 4.123 1.00 0.00 C ATOM 62 O THR A 6 -10.819 -7.107 4.102 1.00 0.00 O ATOM 63 CB THR A 6 -12.059 -4.620 5.823 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.860 -5.541 6.567 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.645 -3.209 5.952 1.00 0.00 C ATOM 0 HA THR A 6 -11.786 -4.096 3.743 1.00 0.00 H new ATOM 0 HB THR A 6 -11.056 -4.653 6.248 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.375 -6.100 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.742 -2.950 7.006 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.983 -2.494 5.463 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.626 -3.178 5.479 1.00 0.00 H new ATOM 73 N PRO A 7 -9.471 -5.292 3.989 1.00 0.00 N ATOM 74 CA PRO A 7 -8.240 -6.054 3.854 1.00 0.00 C ATOM 75 C PRO A 7 -7.883 -6.798 5.145 1.00 0.00 C ATOM 76 O PRO A 7 -7.687 -8.010 5.084 1.00 0.00 O ATOM 77 CB PRO A 7 -7.167 -5.047 3.445 1.00 0.00 C ATOM 78 CG PRO A 7 -7.681 -3.724 4.006 1.00 0.00 C ATOM 79 CD PRO A 7 -9.192 -3.866 3.860 1.00 0.00 C ATOM 0 HA PRO A 7 -8.340 -6.838 3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.194 -5.307 3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.050 -5.004 2.362 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.386 -3.582 5.046 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.298 -2.870 3.447 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.714 -3.294 4.627 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.529 -3.487 2.895 1.00 0.00 H new ATOM 87 N HIS A 8 -7.781 -6.124 6.295 1.00 0.00 N ATOM 88 CA HIS A 8 -7.560 -6.787 7.576 1.00 0.00 C ATOM 89 C HIS A 8 -7.940 -5.816 8.704 1.00 0.00 C ATOM 90 O HIS A 8 -7.607 -4.635 8.589 1.00 0.00 O ATOM 91 CB HIS A 8 -6.068 -7.155 7.699 1.00 0.00 C ATOM 92 CG HIS A 8 -5.855 -8.270 8.683 1.00 0.00 C ATOM 93 ND1 HIS A 8 -5.592 -8.104 10.019 1.00 0.00 N ATOM 94 CD2 HIS A 8 -5.985 -9.612 8.447 1.00 0.00 C ATOM 95 CE1 HIS A 8 -5.645 -9.305 10.602 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.844 -10.259 9.679 1.00 0.00 N ATOM 0 H HIS A 8 -7.849 -5.108 6.360 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.166 -7.690 7.644 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.684 -7.451 6.723 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.501 -6.279 8.012 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.163 -10.082 7.491 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.543 -9.483 11.662 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.885 -11.265 9.845 1.00 0.00 H new ATOM 104 N PRO A 9 -8.516 -6.258 9.836 1.00 0.00 N ATOM 105 CA PRO A 9 -8.900 -5.368 10.934 1.00 0.00 C ATOM 106 C PRO A 9 -7.717 -4.836 11.757 1.00 0.00 C ATOM 107 O PRO A 9 -7.938 -4.074 12.693 1.00 0.00 O ATOM 108 CB PRO A 9 -9.853 -6.192 11.807 1.00 0.00 C ATOM 109 CG PRO A 9 -9.372 -7.621 11.575 1.00 0.00 C ATOM 110 CD PRO A 9 -8.988 -7.607 10.101 1.00 0.00 C ATOM 0 HA PRO A 9 -9.363 -4.467 10.533 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.787 -5.908 12.857 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.892 -6.061 11.506 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.524 -7.872 12.212 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.154 -8.351 11.783 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.212 -8.343 9.891 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.842 -7.855 9.471 1.00 0.00 H new ATOM 118 N GLN A 10 -6.479 -5.236 11.447 1.00 0.00 N ATOM 119 CA GLN A 10 -5.258 -4.775 12.119 1.00 0.00 C ATOM 120 C GLN A 10 -4.366 -3.936 11.192 1.00 0.00 C ATOM 121 O GLN A 10 -3.352 -3.393 11.632 1.00 0.00 O ATOM 122 CB GLN A 10 -4.529 -5.950 12.776 1.00 0.00 C ATOM 123 CG GLN A 10 -5.370 -6.543 13.915 1.00 0.00 C ATOM 124 CD GLN A 10 -4.519 -7.368 14.865 1.00 0.00 C ATOM 125 OE1 GLN A 10 -4.618 -7.231 16.079 1.00 0.00 O ATOM 126 NE2 GLN A 10 -3.632 -8.202 14.354 1.00 0.00 N ATOM 0 H GLN A 10 -6.293 -5.907 10.702 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.544 -4.095 12.922 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.323 -6.719 12.031 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.567 -5.616 13.164 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.856 -5.738 14.466 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.161 -7.167 13.498 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.557 -8.310 13.342 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.022 -8.739 14.971 1.00 0.00 H new ATOM 135 N LEU A 11 -4.748 -3.801 9.917 1.00 0.00 N ATOM 136 CA LEU A 11 -4.224 -2.781 9.022 1.00 0.00 C ATOM 137 C LEU A 11 -4.699 -1.424 9.543 1.00 0.00 C ATOM 138 O LEU A 11 -5.908 -1.182 9.607 1.00 0.00 O ATOM 139 CB LEU A 11 -4.711 -3.100 7.599 1.00 0.00 C ATOM 140 CG LEU A 11 -4.368 -2.046 6.527 1.00 0.00 C ATOM 141 CD1 LEU A 11 -4.088 -2.749 5.193 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.503 -1.040 6.320 1.00 0.00 C ATOM 0 H LEU A 11 -5.440 -4.409 9.479 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.135 -2.758 8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.284 -4.055 7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.793 -3.228 7.624 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.490 -1.501 6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.845 -2.005 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.248 -3.434 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.971 -3.308 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.215 -0.318 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.402 -1.567 6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.702 -0.518 7.256 1.00 0.00 H new ATOM 154 N ILE A 12 -3.769 -0.555 9.943 1.00 0.00 N ATOM 155 CA ILE A 12 -4.069 0.789 10.411 1.00 0.00 C ATOM 156 C ILE A 12 -3.796 1.735 9.248 1.00 0.00 C ATOM 157 O ILE A 12 -2.645 2.018 8.909 1.00 0.00 O ATOM 158 CB ILE A 12 -3.260 1.124 11.680 1.00 0.00 C ATOM 159 CG1 ILE A 12 -3.487 0.095 12.813 1.00 0.00 C ATOM 160 CG2 ILE A 12 -3.568 2.540 12.190 1.00 0.00 C ATOM 161 CD1 ILE A 12 -4.955 -0.220 13.140 1.00 0.00 C ATOM 0 H ILE A 12 -2.773 -0.774 9.949 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.112 0.888 10.711 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.210 1.077 11.390 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.987 -0.834 12.541 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.003 0.465 13.717 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.979 2.740 13.085 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.315 3.268 11.419 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.629 2.618 12.428 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.999 -0.951 13.947 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.463 0.693 13.450 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.446 -0.626 12.255 1.00 0.00 H new ATOM 173 N TRP A 13 -4.878 2.194 8.616 1.00 0.00 N ATOM 174 CA TRP A 13 -4.809 3.155 7.527 1.00 0.00 C ATOM 175 C TRP A 13 -4.013 4.404 7.921 1.00 0.00 C ATOM 176 O TRP A 13 -4.089 4.831 9.074 1.00 0.00 O ATOM 177 CB TRP A 13 -6.213 3.588 7.114 1.00 0.00 C ATOM 178 CG TRP A 13 -7.162 2.489 6.764 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.135 1.983 7.557 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.233 1.751 5.512 1.00 0.00 C ATOM 181 NE1 TRP A 13 -8.781 0.964 6.888 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.242 0.753 5.640 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.550 1.831 4.278 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.533 -0.156 4.616 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.830 0.914 3.246 1.00 0.00 C ATOM 186 CH2 TRP A 13 -7.806 -0.084 3.419 1.00 0.00 C ATOM 0 H TRP A 13 -5.828 1.905 8.850 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.303 2.661 6.697 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.646 4.170 7.928 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.128 4.255 6.256 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.369 2.323 8.555 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.562 0.432 7.272 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.808 2.601 4.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.305 -0.900 4.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.290 0.978 2.313 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.996 -0.796 2.629 1.00 0.00 H new ATOM 197 N PRO A 14 -3.353 5.073 6.966 1.00 0.00 N ATOM 198 CA PRO A 14 -3.308 4.712 5.556 1.00 0.00 C ATOM 199 C PRO A 14 -2.530 3.434 5.244 1.00 0.00 C ATOM 200 O PRO A 14 -1.798 2.914 6.091 1.00 0.00 O ATOM 201 CB PRO A 14 -2.607 5.865 4.868 1.00 0.00 C ATOM 202 CG PRO A 14 -1.828 6.570 5.968 1.00 0.00 C ATOM 203 CD PRO A 14 -2.741 6.372 7.168 1.00 0.00 C ATOM 0 HA PRO A 14 -4.328 4.525 5.220 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.942 5.509 4.081 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.324 6.539 4.399 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.845 6.125 6.123 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.668 7.625 5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.178 6.402 8.101 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.494 7.158 7.225 1.00 0.00 H new ATOM 211 N ALA A 15 -2.693 2.960 4.005 1.00 0.00 N ATOM 212 CA ALA A 15 -2.065 1.758 3.488 1.00 0.00 C ATOM 213 C ALA A 15 -1.589 1.971 2.054 1.00 0.00 C ATOM 214 O ALA A 15 -1.970 2.941 1.398 1.00 0.00 O ATOM 215 CB ALA A 15 -3.063 0.600 3.551 1.00 0.00 C ATOM 0 H ALA A 15 -3.287 3.424 3.318 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.194 1.520 4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.595 -0.305 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.367 0.437 4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.939 0.842 2.949 1.00 0.00 H new ATOM 221 N LEU A 16 -0.778 1.032 1.563 1.00 0.00 N ATOM 222 CA LEU A 16 -0.074 1.097 0.289 1.00 0.00 C ATOM 223 C LEU A 16 -0.108 -0.287 -0.354 1.00 0.00 C ATOM 224 O LEU A 16 0.442 -1.236 0.211 1.00 0.00 O ATOM 225 CB LEU A 16 1.370 1.573 0.538 1.00 0.00 C ATOM 226 CG LEU A 16 1.466 3.110 0.547 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.705 3.595 1.301 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.518 3.659 -0.881 1.00 0.00 C ATOM 0 H LEU A 16 -0.588 0.167 2.069 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.550 1.805 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.724 1.180 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.025 1.171 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 16 0.575 3.477 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.737 4.684 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.662 3.248 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.601 3.198 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.586 4.746 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.391 3.255 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.615 3.367 -1.416 1.00 0.00 H new ATOM 240 N LEU A 17 -0.795 -0.417 -1.493 1.00 0.00 N ATOM 241 CA LEU A 17 -0.924 -1.654 -2.279 1.00 0.00 C ATOM 242 C LEU A 17 0.129 -1.650 -3.393 1.00 0.00 C ATOM 243 O LEU A 17 0.363 -0.579 -3.967 1.00 0.00 O ATOM 244 CB LEU A 17 -2.330 -1.671 -2.910 1.00 0.00 C ATOM 245 CG LEU A 17 -2.723 -2.989 -3.610 1.00 0.00 C ATOM 246 CD1 LEU A 17 -3.058 -4.056 -2.566 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.947 -2.766 -4.507 1.00 0.00 C ATOM 0 H LEU A 17 -1.297 0.366 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.779 -2.529 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.062 -1.460 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.394 -0.860 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.882 -3.322 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.334 -4.983 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.188 -4.232 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.891 -3.715 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.215 -3.703 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.784 -2.420 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.712 -2.016 -5.263 1.00 0.00 H new ATOM 259 N LYS A 18 0.721 -2.800 -3.750 1.00 0.00 N ATOM 260 CA LYS A 18 1.666 -2.885 -4.873 1.00 0.00 C ATOM 261 C LYS A 18 1.548 -4.236 -5.580 1.00 0.00 C ATOM 262 O LYS A 18 2.149 -5.219 -5.135 1.00 0.00 O ATOM 263 CB LYS A 18 3.105 -2.588 -4.399 1.00 0.00 C ATOM 264 CG LYS A 18 3.849 -1.691 -5.394 1.00 0.00 C ATOM 265 CD LYS A 18 4.253 -2.390 -6.689 1.00 0.00 C ATOM 266 CE LYS A 18 5.203 -3.564 -6.457 1.00 0.00 C ATOM 267 NZ LYS A 18 6.469 -3.195 -5.783 1.00 0.00 N ATOM 0 H LYS A 18 0.560 -3.688 -3.274 1.00 0.00 H new ATOM 0 HA LYS A 18 1.410 -2.121 -5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.075 -2.104 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.649 -3.524 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.217 -0.837 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.744 -1.298 -4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.358 -2.748 -7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.730 -1.668 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.692 -4.318 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.436 -4.024 -7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.138 -3.989 -5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.880 -2.360 -6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.280 -2.976 -4.784 1.00 0.00 H new ATOM 281 N GLN A 19 0.805 -4.275 -6.686 1.00 0.00 N ATOM 282 CA GLN A 19 0.478 -5.503 -7.400 1.00 0.00 C ATOM 283 C GLN A 19 1.728 -6.263 -7.875 1.00 0.00 C ATOM 284 O GLN A 19 2.823 -5.707 -8.053 1.00 0.00 O ATOM 285 CB GLN A 19 -0.440 -5.254 -8.602 1.00 0.00 C ATOM 286 CG GLN A 19 -1.645 -4.356 -8.332 1.00 0.00 C ATOM 287 CD GLN A 19 -2.807 -4.744 -9.244 1.00 0.00 C ATOM 288 OE1 GLN A 19 -2.822 -4.407 -10.427 1.00 0.00 O ATOM 289 NE2 GLN A 19 -3.758 -5.513 -8.749 1.00 0.00 N ATOM 0 H GLN A 19 0.408 -3.439 -7.116 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.050 -6.119 -6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.151 -4.809 -9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.800 -6.216 -8.968 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.947 -4.444 -7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.375 -3.313 -8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.734 -5.785 -7.766 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.517 -5.835 -9.349 1.00 0.00 H new ATOM 298 N GLN A 20 1.546 -7.553 -8.159 1.00 0.00 N ATOM 299 CA GLN A 20 2.569 -8.412 -8.723 1.00 0.00 C ATOM 300 C GLN A 20 2.774 -8.154 -10.206 1.00 0.00 C ATOM 301 O GLN A 20 2.067 -8.666 -11.072 1.00 0.00 O ATOM 302 CB GLN A 20 2.269 -9.884 -8.427 1.00 0.00 C ATOM 303 CG GLN A 20 3.029 -10.270 -7.161 1.00 0.00 C ATOM 304 CD GLN A 20 2.564 -11.617 -6.634 1.00 0.00 C ATOM 305 OE1 GLN A 20 1.372 -11.859 -6.498 1.00 0.00 O ATOM 306 NE2 GLN A 20 3.483 -12.487 -6.249 1.00 0.00 N ATOM 0 H GLN A 20 0.661 -8.033 -7.997 1.00 0.00 H new ATOM 0 HA GLN A 20 3.514 -8.167 -8.238 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.198 -10.036 -8.291 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.576 -10.512 -9.263 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.098 -10.308 -7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.881 -9.506 -6.397 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.472 -12.270 -6.369 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.202 -13.374 -5.832 1.00 0.00 H new ATOM 315 N GLY A 21 3.822 -7.391 -10.479 1.00 0.00 N ATOM 316 CA GLY A 21 4.389 -7.155 -11.787 1.00 0.00 C ATOM 317 C GLY A 21 4.481 -5.656 -12.009 1.00 0.00 C ATOM 318 O GLY A 21 5.495 -5.150 -12.497 1.00 0.00 O ATOM 0 H GLY A 21 4.325 -6.893 -9.745 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.377 -7.610 -11.859 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.769 -7.615 -12.557 1.00 0.00 H new ATOM 322 N CYS A 22 3.448 -4.944 -11.555 1.00 0.00 N ATOM 323 CA CYS A 22 3.378 -3.498 -11.568 1.00 0.00 C ATOM 324 C CYS A 22 4.443 -2.922 -10.628 1.00 0.00 C ATOM 325 O CYS A 22 4.990 -3.614 -9.758 1.00 0.00 O ATOM 326 CB CYS A 22 1.973 -3.068 -11.126 1.00 0.00 C ATOM 327 SG CYS A 22 0.674 -3.891 -12.094 1.00 0.00 S ATOM 0 H CYS A 22 2.616 -5.380 -11.158 1.00 0.00 H new ATOM 0 HA CYS A 22 3.568 -3.120 -12.572 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.839 -3.299 -10.069 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.874 -1.988 -11.231 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.493 -3.495 -11.680 1.00 0.00 H new ATOM 333 N ASN A 23 4.696 -1.626 -10.775 1.00 0.00 N ATOM 334 CA ASN A 23 5.684 -0.875 -10.006 1.00 0.00 C ATOM 335 C ASN A 23 4.999 0.282 -9.288 1.00 0.00 C ATOM 336 O ASN A 23 5.443 0.707 -8.224 1.00 0.00 O ATOM 337 CB ASN A 23 6.808 -0.340 -10.924 1.00 0.00 C ATOM 338 CG ASN A 23 7.252 -1.361 -11.950 1.00 0.00 C ATOM 339 OD1 ASN A 23 7.965 -2.302 -11.623 1.00 0.00 O ATOM 340 ND2 ASN A 23 6.754 -1.271 -13.172 1.00 0.00 N ATOM 0 H ASN A 23 4.202 -1.049 -11.456 1.00 0.00 H new ATOM 0 HA ASN A 23 6.136 -1.543 -9.272 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.459 0.557 -11.436 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.663 -0.047 -10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.962 -1.993 -13.862 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.162 -0.479 -13.425 1.00 0.00 H new ATOM 347 N GLU A 24 3.907 0.762 -9.876 1.00 0.00 N ATOM 348 CA GLU A 24 3.081 1.874 -9.446 1.00 0.00 C ATOM 349 C GLU A 24 2.502 1.565 -8.060 1.00 0.00 C ATOM 350 O GLU A 24 1.788 0.577 -7.904 1.00 0.00 O ATOM 351 CB GLU A 24 2.019 2.018 -10.549 1.00 0.00 C ATOM 352 CG GLU A 24 1.197 3.306 -10.566 1.00 0.00 C ATOM 353 CD GLU A 24 0.251 3.263 -11.772 1.00 0.00 C ATOM 354 OE1 GLU A 24 -0.565 2.313 -11.883 1.00 0.00 O ATOM 355 OE2 GLU A 24 0.385 4.150 -12.640 1.00 0.00 O ATOM 0 H GLU A 24 3.552 0.345 -10.737 1.00 0.00 H new ATOM 0 HA GLU A 24 3.618 2.815 -9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.519 1.924 -11.513 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.329 1.178 -10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.628 3.405 -9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.854 4.174 -10.630 1.00 0.00 H new ATOM 362 N LEU A 25 2.867 2.323 -7.023 1.00 0.00 N ATOM 363 CA LEU A 25 2.246 2.191 -5.705 1.00 0.00 C ATOM 364 C LEU A 25 0.835 2.760 -5.749 1.00 0.00 C ATOM 365 O LEU A 25 0.600 3.772 -6.401 1.00 0.00 O ATOM 366 CB LEU A 25 3.051 2.933 -4.620 1.00 0.00 C ATOM 367 CG LEU A 25 3.971 2.050 -3.765 1.00 0.00 C ATOM 368 CD1 LEU A 25 3.206 0.975 -2.985 1.00 0.00 C ATOM 369 CD2 LEU A 25 5.125 1.438 -4.563 1.00 0.00 C ATOM 0 H LEU A 25 3.593 3.038 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 25 2.224 1.131 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.657 3.700 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.352 3.447 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 25 4.414 2.726 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.908 0.382 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.488 1.451 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.677 0.326 -3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.739 0.825 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.724 0.818 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.735 2.234 -4.990 1.00 0.00 H new ATOM 381 N LEU A 26 -0.060 2.173 -4.955 1.00 0.00 N ATOM 382 CA LEU A 26 -1.441 2.601 -4.776 1.00 0.00 C ATOM 383 C LEU A 26 -1.616 3.135 -3.348 1.00 0.00 C ATOM 384 O LEU A 26 -1.815 2.327 -2.438 1.00 0.00 O ATOM 385 CB LEU A 26 -2.450 1.498 -5.163 1.00 0.00 C ATOM 386 CG LEU A 26 -3.429 1.899 -6.283 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.285 3.117 -5.909 1.00 0.00 C ATOM 388 CD2 LEU A 26 -2.715 2.121 -7.623 1.00 0.00 C ATOM 0 H LEU A 26 0.171 1.351 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.664 3.416 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.899 0.612 -5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.023 1.219 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.106 1.054 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.957 3.356 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.870 2.890 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.636 3.970 -5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.445 2.402 -8.382 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.979 2.917 -7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.213 1.202 -7.925 1.00 0.00 H new ATOM 400 N PRO A 27 -1.363 4.428 -3.073 1.00 0.00 N ATOM 401 CA PRO A 27 -1.664 5.033 -1.773 1.00 0.00 C ATOM 402 C PRO A 27 -3.178 5.014 -1.501 1.00 0.00 C ATOM 403 O PRO A 27 -3.952 5.520 -2.317 1.00 0.00 O ATOM 404 CB PRO A 27 -1.108 6.460 -1.876 1.00 0.00 C ATOM 405 CG PRO A 27 -1.177 6.794 -3.363 1.00 0.00 C ATOM 406 CD PRO A 27 -0.920 5.444 -4.025 1.00 0.00 C ATOM 0 HA PRO A 27 -1.217 4.492 -0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.699 7.159 -1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.085 6.514 -1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.149 7.202 -3.641 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.428 7.533 -3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.467 5.361 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.137 5.322 -4.260 1.00 0.00 H new ATOM 414 N LEU A 28 -3.612 4.491 -0.348 1.00 0.00 N ATOM 415 CA LEU A 28 -4.979 4.572 0.174 1.00 0.00 C ATOM 416 C LEU A 28 -4.936 5.404 1.455 1.00 0.00 C ATOM 417 O LEU A 28 -4.417 4.928 2.470 1.00 0.00 O ATOM 418 CB LEU A 28 -5.561 3.178 0.503 1.00 0.00 C ATOM 419 CG LEU A 28 -5.981 2.250 -0.659 1.00 0.00 C ATOM 420 CD1 LEU A 28 -6.568 2.970 -1.877 1.00 0.00 C ATOM 421 CD2 LEU A 28 -4.845 1.338 -1.120 1.00 0.00 C ATOM 0 H LEU A 28 -2.989 3.976 0.275 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.618 5.023 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.821 2.645 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.435 3.327 1.138 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.780 1.651 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.833 2.238 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.459 3.522 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.830 3.663 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.194 0.707 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.007 1.945 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.523 0.710 -0.289 1.00 0.00 H new ATOM 433 N ARG A 29 -5.449 6.642 1.420 1.00 0.00 N ATOM 434 CA ARG A 29 -5.419 7.529 2.589 1.00 0.00 C ATOM 435 C ARG A 29 -6.207 6.935 3.752 1.00 0.00 C ATOM 436 O ARG A 29 -5.729 6.953 4.884 1.00 0.00 O ATOM 437 CB ARG A 29 -5.953 8.950 2.310 1.00 0.00 C ATOM 438 CG ARG A 29 -5.773 9.495 0.889 1.00 0.00 C ATOM 439 CD ARG A 29 -6.106 10.989 0.875 1.00 0.00 C ATOM 440 NE ARG A 29 -6.533 11.449 -0.451 1.00 0.00 N ATOM 441 CZ ARG A 29 -5.768 11.793 -1.489 1.00 0.00 C ATOM 442 NH1 ARG A 29 -4.447 11.660 -1.450 1.00 0.00 N ATOM 443 NH2 ARG A 29 -6.355 12.270 -2.577 1.00 0.00 N ATOM 0 H ARG A 29 -5.889 7.050 0.595 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.363 7.616 2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.017 8.964 2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.464 9.637 3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.748 9.336 0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.422 8.959 0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.895 11.190 1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.231 11.558 1.191 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.540 11.514 -0.598 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.996 11.288 -0.614 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.883 11.930 -2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.370 12.367 -2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.792 12.540 -3.384 1.00 0.00 H new ATOM 457 N THR A 30 -7.410 6.421 3.500 1.00 0.00 N ATOM 458 CA THR A 30 -8.170 5.737 4.528 1.00 0.00 C ATOM 459 C THR A 30 -8.998 4.616 3.922 1.00 0.00 C ATOM 460 O THR A 30 -8.913 4.314 2.729 1.00 0.00 O ATOM 461 CB THR A 30 -8.938 6.746 5.403 1.00 0.00 C ATOM 462 OG1 THR A 30 -9.485 6.129 6.545 1.00 0.00 O ATOM 463 CG2 THR A 30 -10.024 7.513 4.659 1.00 0.00 C ATOM 0 H THR A 30 -7.873 6.469 2.592 1.00 0.00 H new ATOM 0 HA THR A 30 -7.499 5.235 5.225 1.00 0.00 H new ATOM 0 HB THR A 30 -8.190 7.478 5.708 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.964 6.796 7.080 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.517 8.202 5.344 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.576 8.075 3.839 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.757 6.811 4.260 1.00 0.00 H new ATOM 471 N ASN A 31 -9.792 3.982 4.775 1.00 0.00 N ATOM 472 CA ASN A 31 -10.660 2.882 4.430 1.00 0.00 C ATOM 473 C ASN A 31 -11.571 3.277 3.278 1.00 0.00 C ATOM 474 O ASN A 31 -11.799 2.466 2.386 1.00 0.00 O ATOM 475 CB ASN A 31 -11.473 2.472 5.664 1.00 0.00 C ATOM 476 CG ASN A 31 -11.892 1.013 5.575 1.00 0.00 C ATOM 477 OD1 ASN A 31 -11.591 0.220 6.461 1.00 0.00 O ATOM 478 ND2 ASN A 31 -12.564 0.617 4.510 1.00 0.00 N ATOM 0 H ASN A 31 -9.845 4.235 5.762 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.064 2.029 4.106 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.880 2.630 6.565 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.357 3.104 5.749 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.840 -0.360 4.416 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.807 1.288 3.782 1.00 0.00 H new ATOM 485 N ASP A 32 -12.058 4.521 3.255 1.00 0.00 N ATOM 486 CA ASP A 32 -12.986 4.967 2.215 1.00 0.00 C ATOM 487 C ASP A 32 -12.290 5.081 0.851 1.00 0.00 C ATOM 488 O ASP A 32 -12.928 5.040 -0.200 1.00 0.00 O ATOM 489 CB ASP A 32 -13.649 6.293 2.619 1.00 0.00 C ATOM 490 CG ASP A 32 -15.078 6.339 2.073 1.00 0.00 C ATOM 491 OD1 ASP A 32 -15.931 5.671 2.706 1.00 0.00 O ATOM 492 OD2 ASP A 32 -15.346 7.009 1.049 1.00 0.00 O ATOM 0 H ASP A 32 -11.825 5.236 3.944 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.767 4.214 2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.660 6.390 3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.073 7.133 2.230 1.00 0.00 H new ATOM 497 N ASP A 33 -10.960 5.178 0.824 1.00 0.00 N ATOM 498 CA ASP A 33 -10.203 5.197 -0.424 1.00 0.00 C ATOM 499 C ASP A 33 -10.075 3.785 -0.974 1.00 0.00 C ATOM 500 O ASP A 33 -10.137 3.592 -2.185 1.00 0.00 O ATOM 501 CB ASP A 33 -8.814 5.812 -0.198 1.00 0.00 C ATOM 502 CG ASP A 33 -8.940 7.294 0.082 1.00 0.00 C ATOM 503 OD1 ASP A 33 -9.207 8.030 -0.893 1.00 0.00 O ATOM 504 OD2 ASP A 33 -8.841 7.689 1.260 1.00 0.00 O ATOM 0 H ASP A 33 -10.382 5.245 1.662 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.736 5.811 -1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.320 5.317 0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.190 5.652 -1.077 1.00 0.00 H new ATOM 509 N TRP A 34 -9.948 2.773 -0.113 1.00 0.00 N ATOM 510 CA TRP A 34 -10.021 1.377 -0.531 1.00 0.00 C ATOM 511 C TRP A 34 -11.409 1.052 -1.081 1.00 0.00 C ATOM 512 O TRP A 34 -11.528 0.282 -2.038 1.00 0.00 O ATOM 513 CB TRP A 34 -9.660 0.463 0.642 1.00 0.00 C ATOM 514 CG TRP A 34 -9.747 -1.007 0.373 1.00 0.00 C ATOM 515 CD1 TRP A 34 -10.854 -1.766 0.539 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.714 -1.913 -0.122 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.578 -3.066 0.164 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.272 -3.219 -0.244 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.368 -1.757 -0.510 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.529 -4.317 -0.713 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.612 -2.846 -0.981 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.181 -4.130 -1.063 1.00 0.00 C ATOM 0 H TRP A 34 -9.793 2.900 0.887 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.302 1.207 -1.332 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.644 0.696 0.960 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.318 0.700 1.478 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.805 -1.411 0.907 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.261 -3.823 0.187 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.908 -0.782 -0.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -8.988 -5.290 -0.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.586 -2.695 -1.282 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.585 -4.968 -1.393 1.00 0.00 H new ATOM 533 N GLN A 35 -12.462 1.657 -0.520 1.00 0.00 N ATOM 534 CA GLN A 35 -13.779 1.603 -1.126 1.00 0.00 C ATOM 535 C GLN A 35 -13.719 2.159 -2.529 1.00 0.00 C ATOM 536 O GLN A 35 -14.113 1.457 -3.465 1.00 0.00 O ATOM 537 CB GLN A 35 -14.849 2.334 -0.300 1.00 0.00 C ATOM 538 CG GLN A 35 -14.967 1.847 1.146 1.00 0.00 C ATOM 539 CD GLN A 35 -15.545 0.441 1.309 1.00 0.00 C ATOM 540 OE1 GLN A 35 -14.863 -0.570 1.152 1.00 0.00 O ATOM 541 NE2 GLN A 35 -16.799 0.308 1.690 1.00 0.00 N ATOM 0 H GLN A 35 -12.419 2.186 0.351 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.078 0.555 -1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.622 3.400 -0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.815 2.216 -0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.978 1.872 1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.593 2.547 1.699 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.381 1.134 1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.188 -0.621 1.849 1.00 0.00 H new ATOM 550 N ARG A 36 -13.268 3.403 -2.702 1.00 0.00 N ATOM 551 CA ARG A 36 -13.455 4.011 -4.012 1.00 0.00 C ATOM 552 C ARG A 36 -12.480 3.364 -5.031 1.00 0.00 C ATOM 553 O ARG A 36 -12.641 3.483 -6.236 1.00 0.00 O ATOM 554 CB ARG A 36 -13.356 5.533 -3.970 1.00 0.00 C ATOM 555 CG ARG A 36 -11.992 6.055 -4.365 1.00 0.00 C ATOM 556 CD ARG A 36 -11.610 7.304 -3.585 1.00 0.00 C ATOM 557 NE ARG A 36 -10.166 7.494 -3.409 1.00 0.00 N ATOM 558 CZ ARG A 36 -9.108 7.248 -4.181 1.00 0.00 C ATOM 559 NH1 ARG A 36 -9.220 6.941 -5.468 1.00 0.00 N ATOM 560 NH2 ARG A 36 -7.922 7.306 -3.593 1.00 0.00 N ATOM 0 H ARG A 36 -12.800 3.976 -1.999 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.472 3.809 -4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.107 5.958 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.592 5.878 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.245 5.280 -4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.984 6.278 -5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.019 8.175 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.080 7.261 -2.603 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.920 7.900 -2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.142 6.886 -5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.384 6.760 -6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.855 7.530 -2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.076 7.127 -4.133 1.00 0.00 H new ATOM 696 N LEU A 45 -7.476 -8.542 -8.768 1.00 0.00 N ATOM 697 CA LEU A 45 -6.823 -8.859 -7.508 1.00 0.00 C ATOM 698 C LEU A 45 -6.309 -10.296 -7.601 1.00 0.00 C ATOM 699 O LEU A 45 -7.059 -11.219 -7.924 1.00 0.00 O ATOM 700 CB LEU A 45 -7.827 -8.647 -6.357 1.00 0.00 C ATOM 701 CG LEU A 45 -8.075 -7.156 -6.026 1.00 0.00 C ATOM 702 CD1 LEU A 45 -9.287 -7.013 -5.099 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.877 -6.473 -5.351 1.00 0.00 C ATOM 0 HA LEU A 45 -5.972 -8.208 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.775 -9.116 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.458 -9.153 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.248 -6.665 -6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.451 -5.959 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.171 -7.421 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.103 -7.558 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.120 -5.430 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.648 -6.982 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.011 -6.521 -6.011 1.00 0.00 H new ATOM 715 N GLN A 46 -5.013 -10.489 -7.376 1.00 0.00 N ATOM 716 CA GLN A 46 -4.313 -11.771 -7.467 1.00 0.00 C ATOM 717 C GLN A 46 -3.503 -11.962 -6.172 1.00 0.00 C ATOM 718 O GLN A 46 -3.103 -10.976 -5.540 1.00 0.00 O ATOM 719 CB GLN A 46 -3.544 -11.822 -8.801 1.00 0.00 C ATOM 720 CG GLN A 46 -2.407 -10.809 -8.836 1.00 0.00 C ATOM 721 CD GLN A 46 -2.018 -10.289 -10.209 1.00 0.00 C ATOM 722 OE1 GLN A 46 -1.090 -10.758 -10.871 1.00 0.00 O ATOM 723 NE2 GLN A 46 -2.675 -9.226 -10.630 1.00 0.00 N ATOM 0 H GLN A 46 -4.392 -9.723 -7.113 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.973 -12.638 -7.512 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -3.143 -12.824 -8.952 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.231 -11.627 -9.624 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.686 -9.959 -8.213 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.528 -11.264 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.441 -8.847 -10.074 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.417 -8.783 -11.512 1.00 0.00 H new ATOM 732 N TYR A 47 -3.345 -13.205 -5.712 1.00 0.00 N ATOM 733 CA TYR A 47 -2.840 -13.547 -4.380 1.00 0.00 C ATOM 734 C TYR A 47 -1.367 -13.150 -4.243 1.00 0.00 C ATOM 735 O TYR A 47 -0.475 -13.933 -4.576 1.00 0.00 O ATOM 736 CB TYR A 47 -3.014 -15.057 -4.130 1.00 0.00 C ATOM 737 CG TYR A 47 -4.452 -15.517 -4.038 1.00 0.00 C ATOM 738 CD1 TYR A 47 -5.289 -14.914 -3.092 1.00 0.00 C ATOM 739 CD2 TYR A 47 -4.962 -16.535 -4.863 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.642 -15.266 -2.993 1.00 0.00 C ATOM 741 CE2 TYR A 47 -6.312 -16.910 -4.760 1.00 0.00 C ATOM 742 CZ TYR A 47 -7.165 -16.257 -3.843 1.00 0.00 C ATOM 743 OH TYR A 47 -8.480 -16.584 -3.771 1.00 0.00 O ATOM 0 H TYR A 47 -3.572 -14.026 -6.273 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.411 -12.994 -3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.522 -15.604 -4.934 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.502 -15.320 -3.205 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.885 -14.165 -2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.317 -17.028 -5.575 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.279 -14.780 -2.269 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.699 -17.701 -5.385 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.679 -17.285 -4.426 1.00 0.00 H new ATOM 753 N GLY A 48 -1.107 -11.935 -3.766 1.00 0.00 N ATOM 754 CA GLY A 48 0.233 -11.395 -3.589 1.00 0.00 C ATOM 755 C GLY A 48 0.345 -9.918 -3.965 1.00 0.00 C ATOM 756 O GLY A 48 1.456 -9.412 -4.106 1.00 0.00 O ATOM 0 H GLY A 48 -1.842 -11.285 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.534 -11.522 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.932 -11.971 -4.195 1.00 0.00 H new ATOM 760 N ASP A 49 -0.784 -9.217 -4.085 1.00 0.00 N ATOM 761 CA ASP A 49 -0.927 -7.769 -4.270 1.00 0.00 C ATOM 762 C ASP A 49 -0.254 -6.900 -3.197 1.00 0.00 C ATOM 763 O ASP A 49 -0.189 -5.692 -3.400 1.00 0.00 O ATOM 764 CB ASP A 49 -2.431 -7.445 -4.308 1.00 0.00 C ATOM 765 CG ASP A 49 -3.000 -7.179 -5.704 1.00 0.00 C ATOM 766 OD1 ASP A 49 -3.262 -8.154 -6.451 1.00 0.00 O ATOM 767 OD2 ASP A 49 -3.204 -6.006 -6.053 1.00 0.00 O ATOM 0 H ASP A 49 -1.692 -9.681 -4.053 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.414 -7.524 -5.200 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.978 -8.275 -3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.615 -6.570 -3.684 1.00 0.00 H new ATOM 772 N LYS A 50 0.225 -7.492 -2.087 1.00 0.00 N ATOM 773 CA LYS A 50 0.983 -6.938 -0.950 1.00 0.00 C ATOM 774 C LYS A 50 0.434 -5.610 -0.434 1.00 0.00 C ATOM 775 O LYS A 50 0.530 -4.571 -1.089 1.00 0.00 O ATOM 776 CB LYS A 50 2.445 -6.707 -1.340 1.00 0.00 C ATOM 777 CG LYS A 50 3.360 -6.566 -0.114 1.00 0.00 C ATOM 778 CD LYS A 50 4.850 -6.616 -0.468 1.00 0.00 C ATOM 779 CE LYS A 50 5.254 -8.027 -0.924 1.00 0.00 C ATOM 780 NZ LYS A 50 6.712 -8.260 -0.829 1.00 0.00 N ATOM 0 H LYS A 50 0.071 -8.491 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 50 0.889 -7.681 -0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.790 -7.538 -1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.518 -5.807 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.143 -5.623 0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.134 -7.363 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.065 -5.898 -1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.444 -6.324 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.731 -8.765 -0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.932 -8.178 -1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.931 -9.225 -1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.213 -7.575 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.019 -8.144 0.158 1.00 0.00 H new ATOM 794 N LEU A 51 -0.044 -5.602 0.800 1.00 0.00 N ATOM 795 CA LEU A 51 -0.347 -4.353 1.476 1.00 0.00 C ATOM 796 C LEU A 51 0.751 -4.082 2.494 1.00 0.00 C ATOM 797 O LEU A 51 1.369 -5.022 2.997 1.00 0.00 O ATOM 798 CB LEU A 51 -1.746 -4.442 2.123 1.00 0.00 C ATOM 799 CG LEU A 51 -2.896 -4.110 1.156 1.00 0.00 C ATOM 800 CD1 LEU A 51 -4.229 -4.599 1.725 1.00 0.00 C ATOM 801 CD2 LEU A 51 -3.007 -2.602 0.901 1.00 0.00 C ATOM 0 H LEU A 51 -0.229 -6.441 1.350 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.374 -3.519 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.892 -5.448 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.788 -3.760 2.972 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.675 -4.615 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.032 -4.357 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.188 -5.678 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.417 -4.111 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.830 -2.409 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.192 -2.086 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.077 -2.237 0.465 1.00 0.00 H new ATOM 813 N VAL A 52 0.947 -2.813 2.839 1.00 0.00 N ATOM 814 CA VAL A 52 1.631 -2.381 4.049 1.00 0.00 C ATOM 815 C VAL A 52 0.798 -1.234 4.615 1.00 0.00 C ATOM 816 O VAL A 52 0.266 -0.423 3.848 1.00 0.00 O ATOM 817 CB VAL A 52 3.090 -1.959 3.772 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.861 -1.672 5.070 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.912 -3.002 3.014 1.00 0.00 C ATOM 0 H VAL A 52 0.623 -2.034 2.265 1.00 0.00 H new ATOM 0 HA VAL A 52 1.710 -3.198 4.767 1.00 0.00 H new ATOM 0 HB VAL A 52 2.980 -1.065 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.883 -1.379 4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.370 -0.865 5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.878 -2.569 5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.924 -2.627 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.951 -3.925 3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.448 -3.199 2.048 1.00 0.00 H new ATOM 829 N ASP A 53 0.684 -1.141 5.936 1.00 0.00 N ATOM 830 CA ASP A 53 -0.054 -0.105 6.662 1.00 0.00 C ATOM 831 C ASP A 53 0.907 0.916 7.295 1.00 0.00 C ATOM 832 O ASP A 53 2.104 0.919 6.994 1.00 0.00 O ATOM 833 CB ASP A 53 -0.959 -0.763 7.713 1.00 0.00 C ATOM 834 CG ASP A 53 -0.245 -1.010 9.037 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.929 -1.431 8.992 1.00 0.00 O ATOM 836 OD2 ASP A 53 -0.830 -0.681 10.092 1.00 0.00 O ATOM 0 H ASP A 53 1.123 -1.816 6.562 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.682 0.446 5.962 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.827 -0.128 7.887 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.330 -1.711 7.324 1.00 0.00 H new ATOM 841 N SER A 54 0.386 1.803 8.145 1.00 0.00 N ATOM 842 CA SER A 54 1.155 2.794 8.892 1.00 0.00 C ATOM 843 C SER A 54 2.000 2.222 10.048 1.00 0.00 C ATOM 844 O SER A 54 2.897 2.906 10.544 1.00 0.00 O ATOM 845 CB SER A 54 0.162 3.817 9.425 1.00 0.00 C ATOM 846 OG SER A 54 -0.372 4.583 8.363 1.00 0.00 O ATOM 0 H SER A 54 -0.615 1.851 8.337 1.00 0.00 H new ATOM 0 HA SER A 54 1.885 3.231 8.211 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.643 3.310 9.957 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.655 4.472 10.143 1.00 0.00 H new ATOM 0 HG SER A 54 -0.833 3.991 7.732 1.00 0.00 H new ATOM 852 N ASN A 55 1.745 0.989 10.487 1.00 0.00 N ATOM 853 CA ASN A 55 2.611 0.226 11.401 1.00 0.00 C ATOM 854 C ASN A 55 3.794 -0.421 10.681 1.00 0.00 C ATOM 855 O ASN A 55 4.629 -1.033 11.352 1.00 0.00 O ATOM 856 CB ASN A 55 1.848 -0.900 12.113 1.00 0.00 C ATOM 857 CG ASN A 55 0.944 -0.412 13.188 1.00 0.00 C ATOM 858 OD1 ASN A 55 1.297 -0.393 14.365 1.00 0.00 O ATOM 859 ND2 ASN A 55 -0.253 -0.048 12.833 1.00 0.00 N ATOM 0 H ASN A 55 0.908 0.475 10.212 1.00 0.00 H new ATOM 0 HA ASN A 55 2.969 0.960 12.123 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.262 -1.453 11.379 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.565 -1.600 12.541 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.922 0.262 13.538 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.523 -0.072 11.850 1.00 0.00 H new ATOM 866 N PHE A 56 3.876 -0.307 9.348 1.00 0.00 N ATOM 867 CA PHE A 56 4.823 -1.040 8.511 1.00 0.00 C ATOM 868 C PHE A 56 4.535 -2.551 8.594 1.00 0.00 C ATOM 869 O PHE A 56 5.404 -3.361 8.288 1.00 0.00 O ATOM 870 CB PHE A 56 6.293 -0.686 8.830 1.00 0.00 C ATOM 871 CG PHE A 56 6.685 0.765 8.617 1.00 0.00 C ATOM 872 CD1 PHE A 56 6.107 1.798 9.384 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.626 1.087 7.621 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.408 3.140 9.114 1.00 0.00 C ATOM 875 CE2 PHE A 56 7.947 2.434 7.379 1.00 0.00 C ATOM 876 CZ PHE A 56 7.340 3.465 8.115 1.00 0.00 C ATOM 0 H PHE A 56 3.269 0.314 8.813 1.00 0.00 H new ATOM 0 HA PHE A 56 4.679 -0.729 7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.493 -0.948 9.869 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.939 -1.311 8.214 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.427 1.553 10.186 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.098 0.304 7.046 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.923 3.925 9.675 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.671 2.680 6.616 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.587 4.497 7.915 1.00 0.00 H new ATOM 886 N HIS A 57 3.338 -2.975 9.018 1.00 0.00 N ATOM 887 CA HIS A 57 2.926 -4.368 8.934 1.00 0.00 C ATOM 888 C HIS A 57 2.789 -4.700 7.459 1.00 0.00 C ATOM 889 O HIS A 57 1.873 -4.197 6.810 1.00 0.00 O ATOM 890 CB HIS A 57 1.601 -4.592 9.676 1.00 0.00 C ATOM 891 CG HIS A 57 1.654 -4.390 11.166 1.00 0.00 C ATOM 892 ND1 HIS A 57 0.564 -4.286 12.004 1.00 0.00 N ATOM 893 CD2 HIS A 57 2.781 -4.357 11.939 1.00 0.00 C ATOM 894 CE1 HIS A 57 1.027 -4.199 13.263 1.00 0.00 C ATOM 895 NE2 HIS A 57 2.370 -4.272 13.269 1.00 0.00 N ATOM 0 H HIS A 57 2.635 -2.359 9.426 1.00 0.00 H new ATOM 0 HA HIS A 57 3.662 -5.019 9.407 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.853 -3.916 9.261 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.259 -5.607 9.476 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.801 -4.391 11.585 1.00 0.00 H new ATOM 0 HE1 HIS A 57 0.410 -4.087 14.142 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.974 -4.266 14.091 1.00 0.00 H new ATOM 903 N CYS A 58 3.709 -5.483 6.892 1.00 0.00 N ATOM 904 CA CYS A 58 3.482 -6.019 5.569 1.00 0.00 C ATOM 905 C CYS A 58 2.450 -7.134 5.641 1.00 0.00 C ATOM 906 O CYS A 58 2.314 -7.832 6.646 1.00 0.00 O ATOM 907 CB CYS A 58 4.783 -6.439 4.869 1.00 0.00 C ATOM 908 SG CYS A 58 6.088 -7.120 5.928 1.00 0.00 S ATOM 0 H CYS A 58 4.594 -5.749 7.323 1.00 0.00 H new ATOM 0 HA CYS A 58 3.077 -5.228 4.938 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.538 -7.182 4.110 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.185 -5.571 4.347 1.00 0.00 H new ATOM 0 HG CYS A 58 5.616 -7.322 7.122 1.00 0.00 H new ATOM 914 N PHE A 59 1.766 -7.331 4.522 1.00 0.00 N ATOM 915 CA PHE A 59 0.710 -8.305 4.335 1.00 0.00 C ATOM 916 C PHE A 59 0.929 -9.005 3.002 1.00 0.00 C ATOM 917 O PHE A 59 1.720 -8.546 2.173 1.00 0.00 O ATOM 918 CB PHE A 59 -0.649 -7.586 4.377 1.00 0.00 C ATOM 919 CG PHE A 59 -0.915 -6.868 5.681 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.013 -7.620 6.861 1.00 0.00 C ATOM 921 CD2 PHE A 59 -0.972 -5.464 5.742 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.082 -6.980 8.106 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.114 -4.824 6.984 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.148 -5.578 8.167 1.00 0.00 C ATOM 0 H PHE A 59 1.946 -6.785 3.679 1.00 0.00 H new ATOM 0 HA PHE A 59 0.722 -9.053 5.127 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.695 -6.866 3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.441 -8.315 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.035 -8.699 6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.907 -4.880 4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.084 -7.563 9.015 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.197 -3.748 7.029 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.225 -5.081 9.123 1.00 0.00 H new ATOM 934 N VAL A 60 0.204 -10.093 2.780 1.00 0.00 N ATOM 935 CA VAL A 60 0.122 -10.848 1.540 1.00 0.00 C ATOM 936 C VAL A 60 -1.320 -11.340 1.479 1.00 0.00 C ATOM 937 O VAL A 60 -1.891 -11.683 2.512 1.00 0.00 O ATOM 938 CB VAL A 60 1.119 -12.021 1.581 1.00 0.00 C ATOM 939 CG1 VAL A 60 0.948 -13.015 0.424 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.570 -11.540 1.598 1.00 0.00 C ATOM 0 H VAL A 60 -0.381 -10.497 3.511 1.00 0.00 H new ATOM 0 HA VAL A 60 0.375 -10.256 0.661 1.00 0.00 H new ATOM 0 HB VAL A 60 0.889 -12.540 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.684 -13.814 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.055 -13.440 0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.094 -12.498 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.238 -12.401 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.770 -10.955 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.738 -10.921 2.479 1.00 0.00 H new ATOM 950 N LEU A 61 -1.896 -11.347 0.282 1.00 0.00 N ATOM 951 CA LEU A 61 -3.194 -11.972 0.012 1.00 0.00 C ATOM 952 C LEU A 61 -2.924 -13.459 -0.175 1.00 0.00 C ATOM 953 O LEU A 61 -2.083 -13.792 -1.014 1.00 0.00 O ATOM 954 CB LEU A 61 -3.801 -11.377 -1.268 1.00 0.00 C ATOM 955 CG LEU A 61 -5.269 -11.730 -1.615 1.00 0.00 C ATOM 956 CD1 LEU A 61 -5.645 -11.647 -3.105 1.00 0.00 C ATOM 957 CD2 LEU A 61 -6.132 -12.601 -0.709 1.00 0.00 C ATOM 0 H LEU A 61 -1.474 -10.915 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.898 -11.800 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.727 -10.292 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.177 -11.686 -2.107 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.692 -10.838 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.694 -11.914 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.484 -10.631 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.024 -12.337 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.122 -12.715 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.669 -13.581 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.223 -12.130 0.270 1.00 0.00 H new ATOM 969 N GLU A 62 -3.586 -14.326 0.588 1.00 0.00 N ATOM 970 CA GLU A 62 -3.376 -15.769 0.509 1.00 0.00 C ATOM 971 C GLU A 62 -4.595 -16.427 -0.123 1.00 0.00 C ATOM 972 O GLU A 62 -5.681 -15.856 -0.073 1.00 0.00 O ATOM 973 CB GLU A 62 -3.056 -16.436 1.836 1.00 0.00 C ATOM 974 CG GLU A 62 -2.053 -15.597 2.615 1.00 0.00 C ATOM 975 CD GLU A 62 -0.853 -16.360 3.163 1.00 0.00 C ATOM 976 OE1 GLU A 62 -0.945 -17.000 4.232 1.00 0.00 O ATOM 977 OE2 GLU A 62 0.227 -16.249 2.538 1.00 0.00 O ATOM 0 H GLU A 62 -4.283 -14.047 1.278 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.490 -15.910 -0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.969 -16.560 2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.651 -17.433 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.690 -14.799 1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.571 -15.121 3.447 1.00 0.00 H new ATOM 984 N GLU A 63 -4.453 -17.652 -0.624 1.00 0.00 N ATOM 985 CA GLU A 63 -5.513 -18.376 -1.348 1.00 0.00 C ATOM 986 C GLU A 63 -6.832 -18.527 -0.559 1.00 0.00 C ATOM 987 O GLU A 63 -7.878 -18.777 -1.160 1.00 0.00 O ATOM 988 CB GLU A 63 -4.967 -19.715 -1.896 1.00 0.00 C ATOM 989 CG GLU A 63 -4.302 -19.498 -3.264 1.00 0.00 C ATOM 990 CD GLU A 63 -3.363 -20.624 -3.707 1.00 0.00 C ATOM 991 OE1 GLU A 63 -3.833 -21.658 -4.238 1.00 0.00 O ATOM 992 OE2 GLU A 63 -2.128 -20.411 -3.640 1.00 0.00 O ATOM 0 H GLU A 63 -3.587 -18.184 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.799 -17.756 -2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.245 -20.136 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.779 -20.436 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.082 -19.377 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.739 -18.565 -3.235 1.00 0.00 H new ATOM 999 N ASP A 64 -6.829 -18.289 0.758 1.00 0.00 N ATOM 1000 CA ASP A 64 -8.029 -18.200 1.599 1.00 0.00 C ATOM 1001 C ASP A 64 -8.888 -16.967 1.281 1.00 0.00 C ATOM 1002 O ASP A 64 -9.998 -16.881 1.810 1.00 0.00 O ATOM 1003 CB ASP A 64 -7.651 -18.161 3.098 1.00 0.00 C ATOM 1004 CG ASP A 64 -8.197 -19.363 3.884 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -7.732 -20.480 3.564 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -8.927 -19.214 4.899 1.00 0.00 O ATOM 0 H ASP A 64 -5.966 -18.149 1.284 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.614 -19.093 1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.565 -18.134 3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.033 -17.241 3.540 1.00 0.00 H new ATOM 1011 N ALA A 65 -8.410 -15.990 0.480 1.00 0.00 N ATOM 1012 CA ALA A 65 -8.965 -14.652 0.329 1.00 0.00 C ATOM 1013 C ALA A 65 -8.650 -13.782 1.547 1.00 0.00 C ATOM 1014 O ALA A 65 -9.213 -12.691 1.662 1.00 0.00 O ATOM 1015 CB ALA A 65 -10.458 -14.657 -0.016 1.00 0.00 C ATOM 0 H ALA A 65 -7.585 -16.133 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.471 -14.201 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.812 -13.631 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.612 -15.187 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.013 -15.157 0.778 1.00 0.00 H new ATOM 1021 N HIS A 66 -7.809 -14.253 2.475 1.00 0.00 N ATOM 1022 CA HIS A 66 -7.406 -13.472 3.630 1.00 0.00 C ATOM 1023 C HIS A 66 -6.103 -12.741 3.376 1.00 0.00 C ATOM 1024 O HIS A 66 -5.354 -13.091 2.467 1.00 0.00 O ATOM 1025 CB HIS A 66 -7.417 -14.300 4.921 1.00 0.00 C ATOM 1026 CG HIS A 66 -6.399 -15.402 5.107 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -5.101 -15.435 4.661 1.00 0.00 N flip ATOM 1028 CD2 HIS A 66 -6.597 -16.503 5.915 1.00 0.00 C flip ATOM 1029 CE1 HIS A 66 -4.507 -16.574 5.218 1.00 0.00 C flip ATOM 1030 NE2 HIS A 66 -5.443 -17.184 5.966 1.00 0.00 N flip ATOM 0 H HIS A 66 -7.395 -15.184 2.439 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.155 -12.696 3.789 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.304 -13.607 5.755 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.406 -14.750 5.012 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.516 -16.768 6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.488 -16.901 5.074 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.296 -18.043 6.497 1.00 0.00 H new ATOM 1038 N TRP A 67 -5.817 -11.761 4.227 1.00 0.00 N ATOM 1039 CA TRP A 67 -4.560 -11.043 4.214 1.00 0.00 C ATOM 1040 C TRP A 67 -3.763 -11.485 5.435 1.00 0.00 C ATOM 1041 O TRP A 67 -4.137 -11.187 6.571 1.00 0.00 O ATOM 1042 CB TRP A 67 -4.810 -9.538 4.126 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.268 -9.084 2.767 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.530 -9.122 2.280 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.446 -8.589 1.671 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.548 -8.664 0.974 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.289 -8.273 0.566 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -3.060 -8.399 1.500 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.780 -7.725 -0.622 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.536 -7.870 0.310 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -3.397 -7.503 -0.736 1.00 0.00 C ATOM 0 H TRP A 67 -6.462 -11.444 4.950 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.964 -11.276 3.332 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.560 -9.259 4.866 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.893 -9.010 4.387 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.396 -9.460 2.830 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.383 -8.621 0.389 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.387 -8.666 2.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.443 -7.477 -1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.469 -7.745 0.199 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.996 -7.049 -1.630 1.00 0.00 H new ATOM 1062 N HIS A 68 -2.714 -12.277 5.226 1.00 0.00 N ATOM 1063 CA HIS A 68 -1.887 -12.753 6.325 1.00 0.00 C ATOM 1064 C HIS A 68 -0.905 -11.643 6.735 1.00 0.00 C ATOM 1065 O HIS A 68 -0.365 -10.972 5.850 1.00 0.00 O ATOM 1066 CB HIS A 68 -1.137 -14.010 5.839 1.00 0.00 C ATOM 1067 CG HIS A 68 0.029 -14.470 6.683 1.00 0.00 C ATOM 1068 ND1 HIS A 68 1.352 -14.491 6.291 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -0.030 -15.000 7.944 1.00 0.00 C ATOM 1070 CE1 HIS A 68 2.070 -15.002 7.304 1.00 0.00 C ATOM 1071 NE2 HIS A 68 1.273 -15.328 8.334 1.00 0.00 N ATOM 0 H HIS A 68 -2.419 -12.601 4.305 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.491 -13.007 7.196 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.853 -14.829 5.771 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.773 -13.821 4.829 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.924 -15.140 8.533 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.142 -15.133 7.292 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.560 -15.734 9.224 1.00 0.00 H new ATOM 1079 N PRO A 69 -0.590 -11.485 8.037 1.00 0.00 N ATOM 1080 CA PRO A 69 0.469 -10.614 8.533 1.00 0.00 C ATOM 1081 C PRO A 69 1.830 -11.213 8.198 1.00 0.00 C ATOM 1082 O PRO A 69 2.303 -12.137 8.867 1.00 0.00 O ATOM 1083 CB PRO A 69 0.241 -10.476 10.043 1.00 0.00 C ATOM 1084 CG PRO A 69 -0.471 -11.776 10.401 1.00 0.00 C ATOM 1085 CD PRO A 69 -1.328 -12.028 9.166 1.00 0.00 C ATOM 0 HA PRO A 69 0.449 -9.628 8.068 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.180 -10.368 10.585 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.367 -9.603 10.282 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.233 -12.589 10.580 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.076 -11.673 11.302 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.513 -13.094 9.033 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.300 -11.545 9.263 1.00 0.00 H new ATOM 1093 N ALA A 70 2.497 -10.631 7.205 1.00 0.00 N ATOM 1094 CA ALA A 70 3.883 -10.902 6.858 1.00 0.00 C ATOM 1095 C ALA A 70 4.854 -10.256 7.862 1.00 0.00 C ATOM 1096 O ALA A 70 5.971 -9.914 7.471 1.00 0.00 O ATOM 1097 CB ALA A 70 4.143 -10.415 5.423 1.00 0.00 C ATOM 0 H ALA A 70 2.068 -9.932 6.599 1.00 0.00 H new ATOM 0 HA ALA A 70 4.061 -11.976 6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.180 -10.614 5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.482 -10.942 4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.951 -9.344 5.362 1.00 0.00 H new ATOM 1103 N ALA A 71 4.446 -10.077 9.128 1.00 0.00 N ATOM 1104 CA ALA A 71 5.225 -9.453 10.198 1.00 0.00 C ATOM 1105 C ALA A 71 5.439 -7.951 9.941 1.00 0.00 C ATOM 1106 O ALA A 71 5.101 -7.454 8.860 1.00 0.00 O ATOM 1107 CB ALA A 71 6.518 -10.255 10.418 1.00 0.00 C ATOM 0 H ALA A 71 3.524 -10.378 9.443 1.00 0.00 H new ATOM 0 HA ALA A 71 4.669 -9.488 11.135 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.101 -9.793 11.215 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.268 -11.278 10.698 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.102 -10.263 9.498 1.00 0.00 H new ATOM 1113 N PRO A 72 5.894 -7.171 10.939 1.00 0.00 N ATOM 1114 CA PRO A 72 6.338 -5.817 10.670 1.00 0.00 C ATOM 1115 C PRO A 72 7.569 -5.816 9.763 1.00 0.00 C ATOM 1116 O PRO A 72 8.282 -6.816 9.630 1.00 0.00 O ATOM 1117 CB PRO A 72 6.654 -5.209 12.029 1.00 0.00 C ATOM 1118 CG PRO A 72 7.076 -6.410 12.863 1.00 0.00 C ATOM 1119 CD PRO A 72 6.157 -7.509 12.333 1.00 0.00 C ATOM 0 HA PRO A 72 5.575 -5.241 10.146 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.449 -4.467 11.962 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.786 -4.708 12.457 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.128 -6.655 12.720 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.931 -6.237 13.929 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.630 -8.487 12.415 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.231 -7.554 12.906 1.00 0.00 H new ATOM 1127 N LEU A 73 7.823 -4.650 9.184 1.00 0.00 N ATOM 1128 CA LEU A 73 8.900 -4.358 8.262 1.00 0.00 C ATOM 1129 C LEU A 73 9.697 -3.207 8.884 1.00 0.00 C ATOM 1130 O LEU A 73 9.077 -2.312 9.465 1.00 0.00 O ATOM 1131 CB LEU A 73 8.227 -3.922 6.946 1.00 0.00 C ATOM 1132 CG LEU A 73 9.097 -3.830 5.687 1.00 0.00 C ATOM 1133 CD1 LEU A 73 9.574 -5.209 5.207 1.00 0.00 C ATOM 1134 CD2 LEU A 73 8.261 -3.174 4.577 1.00 0.00 C ATOM 0 H LEU A 73 7.240 -3.832 9.361 1.00 0.00 H new ATOM 0 HA LEU A 73 9.567 -5.199 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.415 -4.619 6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.774 -2.944 7.111 1.00 0.00 H new ATOM 0 HG LEU A 73 9.984 -3.242 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.186 -5.091 4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.164 -5.683 5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.710 -5.833 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.859 -3.097 3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.378 -3.781 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.953 -2.178 4.894 1.00 0.00 H new ATOM 1146 N PRO A 74 11.031 -3.156 8.733 1.00 0.00 N ATOM 1147 CA PRO A 74 11.807 -2.020 9.199 1.00 0.00 C ATOM 1148 C PRO A 74 11.384 -0.745 8.463 1.00 0.00 C ATOM 1149 O PRO A 74 10.881 -0.818 7.334 1.00 0.00 O ATOM 1150 CB PRO A 74 13.276 -2.370 8.926 1.00 0.00 C ATOM 1151 CG PRO A 74 13.213 -3.472 7.875 1.00 0.00 C ATOM 1152 CD PRO A 74 11.905 -4.181 8.203 1.00 0.00 C ATOM 0 HA PRO A 74 11.648 -1.827 10.260 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.830 -1.505 8.562 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.778 -2.712 9.831 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.210 -3.066 6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 74 14.067 -4.146 7.945 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.475 -4.642 7.314 1.00 0.00 H new ATOM 0 HD3 PRO A 74 12.062 -4.977 8.931 1.00 0.00 H new ATOM 1160 N PRO A 75 11.696 0.435 9.024 1.00 0.00 N ATOM 1161 CA PRO A 75 11.357 1.707 8.400 1.00 0.00 C ATOM 1162 C PRO A 75 11.996 1.870 7.017 1.00 0.00 C ATOM 1163 O PRO A 75 11.480 2.609 6.181 1.00 0.00 O ATOM 1164 CB PRO A 75 11.837 2.774 9.387 1.00 0.00 C ATOM 1165 CG PRO A 75 12.899 2.081 10.239 1.00 0.00 C ATOM 1166 CD PRO A 75 12.400 0.642 10.284 1.00 0.00 C ATOM 0 HA PRO A 75 10.286 1.784 8.211 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.252 3.636 8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.015 3.140 10.002 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.890 2.153 9.790 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.968 2.518 11.235 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.229 -0.058 10.390 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.737 0.483 11.135 1.00 0.00 H new ATOM 1174 N GLU A 76 13.110 1.179 6.777 1.00 0.00 N ATOM 1175 CA GLU A 76 13.940 1.258 5.581 1.00 0.00 C ATOM 1176 C GLU A 76 13.442 0.254 4.538 1.00 0.00 C ATOM 1177 O GLU A 76 13.697 0.402 3.346 1.00 0.00 O ATOM 1178 CB GLU A 76 15.412 0.980 5.965 1.00 0.00 C ATOM 1179 CG GLU A 76 15.761 1.658 7.295 1.00 0.00 C ATOM 1180 CD GLU A 76 17.246 1.716 7.630 1.00 0.00 C ATOM 1181 OE1 GLU A 76 17.971 2.595 7.113 1.00 0.00 O ATOM 1182 OE2 GLU A 76 17.659 0.989 8.565 1.00 0.00 O ATOM 0 H GLU A 76 13.477 0.510 7.454 1.00 0.00 H new ATOM 0 HA GLU A 76 13.876 2.256 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.576 -0.095 6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.073 1.346 5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.370 2.675 7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.245 1.131 8.098 1.00 0.00 H new ATOM 1189 N GLY A 77 12.687 -0.754 4.984 1.00 0.00 N ATOM 1190 CA GLY A 77 12.075 -1.752 4.119 1.00 0.00 C ATOM 1191 C GLY A 77 10.905 -1.185 3.309 1.00 0.00 C ATOM 1192 O GLY A 77 10.593 -1.699 2.232 1.00 0.00 O ATOM 0 H GLY A 77 12.484 -0.897 5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.827 -2.148 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.723 -2.587 4.725 1.00 0.00 H new ATOM 1196 N LEU A 78 10.284 -0.098 3.779 1.00 0.00 N ATOM 1197 CA LEU A 78 9.309 0.689 3.020 1.00 0.00 C ATOM 1198 C LEU A 78 9.928 1.149 1.700 1.00 0.00 C ATOM 1199 O LEU A 78 9.320 1.033 0.632 1.00 0.00 O ATOM 1200 CB LEU A 78 8.877 1.891 3.877 1.00 0.00 C ATOM 1201 CG LEU A 78 8.096 2.984 3.124 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.731 2.484 2.649 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.884 4.189 4.039 1.00 0.00 C ATOM 0 H LEU A 78 10.449 0.266 4.717 1.00 0.00 H new ATOM 0 HA LEU A 78 8.433 0.084 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.261 1.528 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.766 2.341 4.319 1.00 0.00 H new ATOM 0 HG LEU A 78 8.685 3.263 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.213 3.286 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.868 1.637 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.138 2.172 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.331 4.960 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.318 3.883 4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.851 4.585 4.349 1.00 0.00 H new ATOM 1215 N ASN A 79 11.148 1.678 1.772 1.00 0.00 N ATOM 1216 CA ASN A 79 11.882 2.256 0.661 1.00 0.00 C ATOM 1217 C ASN A 79 12.079 1.241 -0.465 1.00 0.00 C ATOM 1218 O ASN A 79 12.212 1.656 -1.611 1.00 0.00 O ATOM 1219 CB ASN A 79 13.258 2.792 1.118 1.00 0.00 C ATOM 1220 CG ASN A 79 13.222 3.717 2.340 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.607 3.405 3.347 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.801 4.905 2.296 1.00 0.00 N ATOM 0 H ASN A 79 11.670 1.714 2.648 1.00 0.00 H new ATOM 0 HA ASN A 79 11.286 3.087 0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.905 1.944 1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.715 3.330 0.288 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.728 5.538 3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.321 5.189 1.465 1.00 0.00 H new ATOM 1229 N ASP A 80 12.091 -0.065 -0.179 1.00 0.00 N ATOM 1230 CA ASP A 80 12.217 -1.147 -1.166 1.00 0.00 C ATOM 1231 C ASP A 80 10.935 -1.381 -1.970 1.00 0.00 C ATOM 1232 O ASP A 80 10.983 -1.889 -3.094 1.00 0.00 O ATOM 1233 CB ASP A 80 12.616 -2.458 -0.461 1.00 0.00 C ATOM 1234 CG ASP A 80 14.102 -2.805 -0.551 1.00 0.00 C ATOM 1235 OD1 ASP A 80 14.867 -2.166 -1.317 1.00 0.00 O ATOM 1236 OD2 ASP A 80 14.490 -3.789 0.115 1.00 0.00 O ATOM 0 H ASP A 80 12.011 -0.411 0.777 1.00 0.00 H new ATOM 0 HA ASP A 80 12.990 -0.836 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.336 -2.389 0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.039 -3.276 -0.892 1.00 0.00 H new ATOM 1241 N LEU A 81 9.777 -1.010 -1.427 1.00 0.00 N ATOM 1242 CA LEU A 81 8.510 -1.102 -2.139 1.00 0.00 C ATOM 1243 C LEU A 81 8.345 0.151 -2.980 1.00 0.00 C ATOM 1244 O LEU A 81 8.162 0.063 -4.195 1.00 0.00 O ATOM 1245 CB LEU A 81 7.355 -1.272 -1.140 1.00 0.00 C ATOM 1246 CG LEU A 81 7.400 -2.629 -0.416 1.00 0.00 C ATOM 1247 CD1 LEU A 81 6.380 -2.643 0.717 1.00 0.00 C ATOM 1248 CD2 LEU A 81 7.119 -3.806 -1.358 1.00 0.00 C ATOM 0 H LEU A 81 9.694 -0.638 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 81 8.499 -1.973 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.394 -0.469 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.406 -1.176 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 81 8.410 -2.750 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.416 -3.606 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.613 -1.848 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.381 -2.485 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.163 -4.740 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.128 -3.692 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.867 -3.824 -2.151 1.00 0.00 H new ATOM 1260 N ILE A 82 8.463 1.313 -2.331 1.00 0.00 N ATOM 1261 CA ILE A 82 8.358 2.639 -2.941 1.00 0.00 C ATOM 1262 C ILE A 82 9.382 2.784 -4.080 1.00 0.00 C ATOM 1263 O ILE A 82 9.097 3.462 -5.068 1.00 0.00 O ATOM 1264 CB ILE A 82 8.504 3.718 -1.843 1.00 0.00 C ATOM 1265 CG1 ILE A 82 7.428 3.604 -0.734 1.00 0.00 C ATOM 1266 CG2 ILE A 82 8.524 5.142 -2.425 1.00 0.00 C ATOM 1267 CD1 ILE A 82 6.075 4.223 -1.089 1.00 0.00 C ATOM 0 H ILE A 82 8.641 1.356 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 82 7.377 2.774 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 82 9.471 3.526 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.279 2.550 -0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.805 4.083 0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.628 5.864 -1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.365 5.243 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.593 5.329 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.386 4.095 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.204 5.286 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.670 3.729 -1.972 1.00 0.00 H new ATOM 1279 N ARG A 83 10.515 2.069 -4.011 1.00 0.00 N ATOM 1280 CA ARG A 83 11.539 1.995 -5.052 1.00 0.00 C ATOM 1281 C ARG A 83 10.912 1.823 -6.429 1.00 0.00 C ATOM 1282 O ARG A 83 11.294 2.540 -7.339 1.00 0.00 O ATOM 1283 CB ARG A 83 12.502 0.832 -4.758 1.00 0.00 C ATOM 1284 CG ARG A 83 13.947 1.307 -4.601 1.00 0.00 C ATOM 1285 CD ARG A 83 14.638 1.595 -5.937 1.00 0.00 C ATOM 1286 NE ARG A 83 16.082 1.795 -5.737 1.00 0.00 N ATOM 1287 CZ ARG A 83 16.995 1.954 -6.701 1.00 0.00 C ATOM 1288 NH1 ARG A 83 16.639 2.027 -7.978 1.00 0.00 N ATOM 1289 NH2 ARG A 83 18.270 2.046 -6.352 1.00 0.00 N ATOM 0 H ARG A 83 10.748 1.505 -3.193 1.00 0.00 H new ATOM 0 HA ARG A 83 12.096 2.932 -5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.187 0.323 -3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.446 0.103 -5.566 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.961 2.210 -3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.515 0.549 -4.062 1.00 0.00 H new ATOM 0 HD2 ARG A 83 14.471 0.767 -6.625 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.202 2.483 -6.395 1.00 0.00 H new ATOM 0 HE ARG A 83 16.418 1.814 -4.774 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.655 1.962 -8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.350 2.148 -8.699 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.534 1.995 -5.368 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.987 2.168 -7.067 1.00 0.00 H new ATOM 1303 N ALA A 84 9.946 0.911 -6.566 1.00 0.00 N ATOM 1304 CA ALA A 84 9.310 0.600 -7.835 1.00 0.00 C ATOM 1305 C ALA A 84 8.565 1.814 -8.410 1.00 0.00 C ATOM 1306 O ALA A 84 8.777 2.164 -9.569 1.00 0.00 O ATOM 1307 CB ALA A 84 8.429 -0.639 -7.632 1.00 0.00 C ATOM 0 H ALA A 84 9.584 0.365 -5.785 1.00 0.00 H new ATOM 0 HA ALA A 84 10.057 0.364 -8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.939 -0.895 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.047 -1.475 -7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.674 -0.429 -6.874 1.00 0.00 H new ATOM 1313 N HIS A 85 7.740 2.492 -7.611 1.00 0.00 N ATOM 1314 CA HIS A 85 7.016 3.691 -8.033 1.00 0.00 C ATOM 1315 C HIS A 85 8.014 4.771 -8.471 1.00 0.00 C ATOM 1316 O HIS A 85 7.877 5.371 -9.534 1.00 0.00 O ATOM 1317 CB HIS A 85 6.102 4.151 -6.883 1.00 0.00 C ATOM 1318 CG HIS A 85 5.406 5.474 -7.089 1.00 0.00 C ATOM 1319 ND1 HIS A 85 4.060 5.702 -7.335 1.00 0.00 N ATOM 1320 CD2 HIS A 85 6.001 6.693 -6.920 1.00 0.00 C ATOM 1321 CE1 HIS A 85 3.868 7.031 -7.323 1.00 0.00 C ATOM 1322 NE2 HIS A 85 5.019 7.665 -7.075 1.00 0.00 N ATOM 0 H HIS A 85 7.554 2.222 -6.645 1.00 0.00 H new ATOM 0 HA HIS A 85 6.382 3.481 -8.895 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.345 3.385 -6.717 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.698 4.213 -5.972 1.00 0.00 H new ATOM 0 HD1 HIS A 85 3.347 4.991 -7.496 1.00 0.00 H new ATOM 0 HD2 HIS A 85 7.045 6.869 -6.705 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.919 7.519 -7.490 1.00 0.00 H new ATOM 1330 N CYS A 86 9.062 5.008 -7.681 1.00 0.00 N ATOM 1331 CA CYS A 86 10.042 6.036 -8.006 1.00 0.00 C ATOM 1332 C CYS A 86 10.868 5.643 -9.238 1.00 0.00 C ATOM 1333 O CYS A 86 11.253 6.525 -10.000 1.00 0.00 O ATOM 1334 CB CYS A 86 10.935 6.268 -6.789 1.00 0.00 C ATOM 1335 SG CYS A 86 9.881 6.779 -5.400 1.00 0.00 S ATOM 0 H CYS A 86 9.251 4.502 -6.815 1.00 0.00 H new ATOM 0 HA CYS A 86 9.526 6.963 -8.255 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.479 5.358 -6.538 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.679 7.035 -7.004 1.00 0.00 H new ATOM 0 HG CYS A 86 10.556 7.557 -4.607 1.00 0.00 H new ATOM 1341 N ALA A 87 11.120 4.350 -9.459 1.00 0.00 N ATOM 1342 CA ALA A 87 11.894 3.825 -10.580 1.00 0.00 C ATOM 1343 C ALA A 87 11.094 3.721 -11.880 1.00 0.00 C ATOM 1344 O ALA A 87 11.698 3.547 -12.939 1.00 0.00 O ATOM 1345 CB ALA A 87 12.447 2.445 -10.222 1.00 0.00 C ATOM 0 H ALA A 87 10.777 3.617 -8.839 1.00 0.00 H new ATOM 0 HA ALA A 87 12.700 4.537 -10.758 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.024 2.056 -11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.090 2.527 -9.346 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.621 1.767 -10.004 1.00 0.00 H new ATOM 1351 N THR A 88 9.766 3.855 -11.838 1.00 0.00 N ATOM 1352 CA THR A 88 8.951 3.968 -13.043 1.00 0.00 C ATOM 1353 C THR A 88 8.673 5.443 -13.384 1.00 0.00 C ATOM 1354 O THR A 88 8.119 5.715 -14.451 1.00 0.00 O ATOM 1355 CB THR A 88 7.717 3.045 -12.922 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.147 2.776 -14.182 1.00 0.00 O ATOM 1357 CG2 THR A 88 6.587 3.530 -12.021 1.00 0.00 C ATOM 0 H THR A 88 9.231 3.888 -10.970 1.00 0.00 H new ATOM 0 HA THR A 88 9.490 3.604 -13.918 1.00 0.00 H new ATOM 0 HB THR A 88 8.143 2.157 -12.454 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.222 3.570 -14.751 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.781 2.796 -12.020 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.961 3.659 -11.005 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.209 4.483 -12.392 1.00 0.00 H new ATOM 1365 N LEU A 89 9.091 6.410 -12.556 1.00 0.00 N ATOM 1366 CA LEU A 89 8.778 7.831 -12.742 1.00 0.00 C ATOM 1367 C LEU A 89 10.049 8.683 -12.834 1.00 0.00 C ATOM 1368 O LEU A 89 10.179 9.479 -13.760 1.00 0.00 O ATOM 1369 CB LEU A 89 7.847 8.322 -11.621 1.00 0.00 C ATOM 1370 CG LEU A 89 6.484 7.609 -11.546 1.00 0.00 C ATOM 1371 CD1 LEU A 89 5.747 8.097 -10.304 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.607 7.827 -12.784 1.00 0.00 C ATOM 0 H LEU A 89 9.661 6.225 -11.731 1.00 0.00 H new ATOM 0 HA LEU A 89 8.256 7.943 -13.692 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.357 8.199 -10.666 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.674 9.390 -11.755 1.00 0.00 H new ATOM 0 HG LEU A 89 6.681 6.538 -11.498 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.779 7.601 -10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.336 7.865 -9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.598 9.175 -10.369 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.664 7.295 -12.660 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.410 8.892 -12.907 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.123 7.449 -13.667 1.00 0.00 H new ATOM 1384 N GLY A 90 11.013 8.483 -11.930 1.00 0.00 N ATOM 1385 CA GLY A 90 12.295 9.178 -11.899 1.00 0.00 C ATOM 1386 C GLY A 90 12.507 9.958 -10.602 1.00 0.00 C ATOM 1387 O GLY A 90 12.749 11.167 -10.663 1.00 0.00 O ATOM 0 H GLY A 90 10.914 7.806 -11.173 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.100 8.453 -12.019 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.354 9.863 -12.745 1.00 0.00 H new ATOM 1391 N HIS A 91 12.457 9.303 -9.436 1.00 0.00 N ATOM 1392 CA HIS A 91 12.631 9.969 -8.137 1.00 0.00 C ATOM 1393 C HIS A 91 13.644 9.252 -7.236 1.00 0.00 C ATOM 1394 O HIS A 91 13.898 8.055 -7.415 1.00 0.00 O ATOM 1395 CB HIS A 91 11.259 10.112 -7.458 1.00 0.00 C ATOM 1396 CG HIS A 91 10.788 11.539 -7.331 1.00 0.00 C ATOM 1397 ND1 HIS A 91 11.467 12.633 -6.829 1.00 0.00 N ATOM 1398 CD2 HIS A 91 9.560 11.974 -7.725 1.00 0.00 C ATOM 1399 CE1 HIS A 91 10.677 13.707 -6.964 1.00 0.00 C ATOM 1400 NE2 HIS A 91 9.511 13.358 -7.525 1.00 0.00 N ATOM 0 H HIS A 91 12.295 8.298 -9.365 1.00 0.00 H new ATOM 0 HA HIS A 91 13.050 10.960 -8.311 1.00 0.00 H new ATOM 0 HB2 HIS A 91 10.522 9.545 -8.027 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.307 9.665 -6.465 1.00 0.00 H new ATOM 0 HD1 HIS A 91 12.404 12.624 -6.427 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.765 11.360 -8.121 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.942 14.710 -6.664 1.00 0.00 H new ATOM 1494 N HIS A 98 14.160 9.848 2.056 1.00 0.00 N ATOM 1495 CA HIS A 98 13.302 9.272 1.026 1.00 0.00 C ATOM 1496 C HIS A 98 11.832 9.534 1.303 1.00 0.00 C ATOM 1497 O HIS A 98 11.172 10.179 0.488 1.00 0.00 O ATOM 1498 CB HIS A 98 13.584 7.779 0.914 1.00 0.00 C ATOM 1499 CG HIS A 98 12.749 7.077 -0.129 1.00 0.00 C ATOM 1500 ND1 HIS A 98 12.371 5.758 -0.095 1.00 0.00 N ATOM 1501 CD2 HIS A 98 12.261 7.611 -1.289 1.00 0.00 C ATOM 1502 CE1 HIS A 98 11.731 5.477 -1.237 1.00 0.00 C ATOM 1503 NE2 HIS A 98 11.624 6.580 -1.989 1.00 0.00 N ATOM 0 HA HIS A 98 13.529 9.754 0.075 1.00 0.00 H new ATOM 0 HB2 HIS A 98 14.639 7.635 0.679 1.00 0.00 H new ATOM 0 HB3 HIS A 98 13.407 7.312 1.883 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.351 8.639 -1.607 1.00 0.00 H new ATOM 0 HE1 HIS A 98 11.356 4.502 -1.512 1.00 0.00 H new ATOM 0 HE2 HIS A 98 11.166 6.654 -2.897 1.00 0.00 H new ATOM 1511 N LEU A 99 11.342 9.037 2.437 1.00 0.00 N ATOM 1512 CA LEU A 99 10.037 9.362 2.985 1.00 0.00 C ATOM 1513 C LEU A 99 10.189 9.528 4.482 1.00 0.00 C ATOM 1514 O LEU A 99 11.013 8.858 5.110 1.00 0.00 O ATOM 1515 CB LEU A 99 9.028 8.257 2.664 1.00 0.00 C ATOM 1516 CG LEU A 99 8.708 8.179 1.162 1.00 0.00 C ATOM 1517 CD1 LEU A 99 7.955 6.878 0.908 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.932 9.421 0.694 1.00 0.00 C ATOM 0 H LEU A 99 11.863 8.377 3.014 1.00 0.00 H new ATOM 0 HA LEU A 99 9.662 10.285 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.423 7.298 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.108 8.435 3.221 1.00 0.00 H new ATOM 0 HG LEU A 99 9.626 8.173 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.715 6.797 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.577 6.034 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.033 6.871 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.720 9.337 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.995 9.494 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.530 10.314 0.876 1.00 0.00 H new ATOM 1530 N HIS A 100 9.390 10.430 5.032 1.00 0.00 N ATOM 1531 CA HIS A 100 9.369 10.758 6.444 1.00 0.00 C ATOM 1532 C HIS A 100 8.587 9.736 7.272 1.00 0.00 C ATOM 1533 O HIS A 100 8.924 9.470 8.426 1.00 0.00 O ATOM 1534 CB HIS A 100 8.688 12.115 6.544 1.00 0.00 C ATOM 1535 CG HIS A 100 8.670 12.726 7.918 1.00 0.00 C ATOM 1536 ND1 HIS A 100 7.551 13.253 8.503 1.00 0.00 N ATOM 1537 CD2 HIS A 100 9.703 12.847 8.807 1.00 0.00 C ATOM 1538 CE1 HIS A 100 7.884 13.692 9.724 1.00 0.00 C ATOM 1539 NE2 HIS A 100 9.195 13.481 9.951 1.00 0.00 N ATOM 0 H HIS A 100 8.718 10.970 4.487 1.00 0.00 H new ATOM 0 HA HIS A 100 10.385 10.760 6.839 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.188 12.805 5.864 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.660 12.014 6.196 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.623 13.303 8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.720 12.516 8.656 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.201 14.149 10.425 1.00 0.00 H new ATOM 1547 N SER A 101 7.508 9.221 6.689 1.00 0.00 N ATOM 1548 CA SER A 101 6.577 8.271 7.287 1.00 0.00 C ATOM 1549 C SER A 101 5.623 7.768 6.197 1.00 0.00 C ATOM 1550 O SER A 101 5.645 8.276 5.070 1.00 0.00 O ATOM 1551 CB SER A 101 5.828 8.914 8.469 1.00 0.00 C ATOM 1552 OG SER A 101 5.235 10.160 8.150 1.00 0.00 O ATOM 0 H SER A 101 7.246 9.469 5.735 1.00 0.00 H new ATOM 0 HA SER A 101 7.119 7.417 7.694 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.053 8.229 8.814 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.523 9.052 9.297 1.00 0.00 H new ATOM 0 HG SER A 101 4.775 10.515 8.939 1.00 0.00 H new ATOM 1558 N VAL A 102 4.768 6.792 6.522 1.00 0.00 N ATOM 1559 CA VAL A 102 3.769 6.269 5.598 1.00 0.00 C ATOM 1560 C VAL A 102 2.783 7.375 5.215 1.00 0.00 C ATOM 1561 O VAL A 102 2.481 7.512 4.035 1.00 0.00 O ATOM 1562 CB VAL A 102 3.074 5.032 6.208 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.870 4.548 5.382 1.00 0.00 C ATOM 1564 CG2 VAL A 102 4.089 3.882 6.320 1.00 0.00 C ATOM 0 H VAL A 102 4.754 6.344 7.438 1.00 0.00 H new ATOM 0 HA VAL A 102 4.252 5.938 4.679 1.00 0.00 H new ATOM 0 HB VAL A 102 2.701 5.330 7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.425 3.677 5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.129 5.345 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.201 4.279 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.602 3.007 6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.469 3.635 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.916 4.188 6.960 1.00 0.00 H new ATOM 1574 N MET A 103 2.271 8.168 6.163 1.00 0.00 N ATOM 1575 CA MET A 103 1.287 9.200 5.822 1.00 0.00 C ATOM 1576 C MET A 103 1.908 10.228 4.879 1.00 0.00 C ATOM 1577 O MET A 103 1.313 10.551 3.856 1.00 0.00 O ATOM 1578 CB MET A 103 0.730 9.874 7.079 1.00 0.00 C ATOM 1579 CG MET A 103 -0.298 10.966 6.756 1.00 0.00 C ATOM 1580 SD MET A 103 -1.750 10.433 5.808 1.00 0.00 S ATOM 1581 CE MET A 103 -2.817 9.905 7.169 1.00 0.00 C ATOM 0 H MET A 103 2.515 8.118 7.152 1.00 0.00 H new ATOM 0 HA MET A 103 0.451 8.721 5.312 1.00 0.00 H new ATOM 0 HB2 MET A 103 0.266 9.121 7.716 1.00 0.00 H new ATOM 0 HB3 MET A 103 1.551 10.310 7.647 1.00 0.00 H new ATOM 0 HG2 MET A 103 -0.641 11.404 7.694 1.00 0.00 H new ATOM 0 HG3 MET A 103 0.204 11.758 6.200 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.743 9.493 6.767 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.306 9.143 7.757 1.00 0.00 H new ATOM 0 HE3 MET A 103 -3.046 10.760 7.805 1.00 0.00 H new ATOM 1591 N ASP A 104 3.123 10.693 5.186 1.00 0.00 N ATOM 1592 CA ASP A 104 3.823 11.657 4.331 1.00 0.00 C ATOM 1593 C ASP A 104 3.979 11.092 2.913 1.00 0.00 C ATOM 1594 O ASP A 104 3.848 11.822 1.928 1.00 0.00 O ATOM 1595 CB ASP A 104 5.182 12.063 4.937 1.00 0.00 C ATOM 1596 CG ASP A 104 5.196 13.517 5.434 1.00 0.00 C ATOM 1597 OD1 ASP A 104 4.879 14.422 4.628 1.00 0.00 O ATOM 1598 OD2 ASP A 104 5.597 13.785 6.594 1.00 0.00 O ATOM 0 H ASP A 104 3.642 10.418 6.020 1.00 0.00 H new ATOM 0 HA ASP A 104 3.222 12.564 4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.419 11.397 5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.963 11.931 4.189 1.00 0.00 H new ATOM 1603 N ALA A 105 4.189 9.774 2.799 1.00 0.00 N ATOM 1604 CA ALA A 105 4.238 9.073 1.526 1.00 0.00 C ATOM 1605 C ALA A 105 2.918 9.152 0.765 1.00 0.00 C ATOM 1606 O ALA A 105 2.948 9.310 -0.448 1.00 0.00 O ATOM 1607 CB ALA A 105 4.629 7.606 1.718 1.00 0.00 C ATOM 0 H ALA A 105 4.331 9.164 3.604 1.00 0.00 H new ATOM 0 HA ALA A 105 5.000 9.576 0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.657 7.107 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.613 7.550 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.896 7.115 2.358 1.00 0.00 H new ATOM 1613 N ILE A 106 1.771 9.008 1.429 1.00 0.00 N ATOM 1614 CA ILE A 106 0.465 9.018 0.773 1.00 0.00 C ATOM 1615 C ILE A 106 0.319 10.314 -0.016 1.00 0.00 C ATOM 1616 O ILE A 106 -0.059 10.276 -1.193 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.662 8.828 1.814 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.589 7.436 2.477 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -2.077 9.109 1.277 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -0.909 6.242 1.576 1.00 0.00 C ATOM 0 H ILE A 106 1.722 8.881 2.440 1.00 0.00 H new ATOM 0 HA ILE A 106 0.385 8.185 0.074 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.479 9.590 2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.414 7.301 2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.278 7.422 3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.806 8.952 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.136 10.140 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.292 8.434 0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.825 5.320 2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.924 6.339 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.206 6.216 0.743 1.00 0.00 H new ATOM 1632 N ASP A 107 0.593 11.449 0.625 1.00 0.00 N ATOM 1633 CA ASP A 107 0.422 12.743 -0.020 1.00 0.00 C ATOM 1634 C ASP A 107 1.531 12.970 -1.044 1.00 0.00 C ATOM 1635 O ASP A 107 1.222 13.410 -2.148 1.00 0.00 O ATOM 1636 CB ASP A 107 0.340 13.865 1.015 1.00 0.00 C ATOM 1637 CG ASP A 107 -0.804 14.839 0.708 1.00 0.00 C ATOM 1638 OD1 ASP A 107 -0.774 15.542 -0.324 1.00 0.00 O ATOM 1639 OD2 ASP A 107 -1.739 14.989 1.526 1.00 0.00 O ATOM 0 H ASP A 107 0.933 11.496 1.586 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.526 12.750 -0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.196 13.435 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.284 14.409 1.038 1.00 0.00 H new ATOM 1644 N PHE A 108 2.785 12.596 -0.729 1.00 0.00 N ATOM 1645 CA PHE A 108 3.907 12.640 -1.676 1.00 0.00 C ATOM 1646 C PHE A 108 3.551 11.952 -3.000 1.00 0.00 C ATOM 1647 O PHE A 108 3.575 12.573 -4.055 1.00 0.00 O ATOM 1648 CB PHE A 108 5.160 12.008 -1.038 1.00 0.00 C ATOM 1649 CG PHE A 108 6.376 11.933 -1.946 1.00 0.00 C ATOM 1650 CD1 PHE A 108 7.108 13.104 -2.214 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.773 10.717 -2.545 1.00 0.00 C ATOM 1652 CE1 PHE A 108 8.228 13.075 -3.059 1.00 0.00 C ATOM 1653 CE2 PHE A 108 7.876 10.698 -3.416 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.609 11.870 -3.665 1.00 0.00 C ATOM 0 H PHE A 108 3.046 12.253 0.196 1.00 0.00 H new ATOM 0 HA PHE A 108 4.122 13.684 -1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.424 12.580 -0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 108 4.911 11.000 -0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.804 14.037 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.232 9.806 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.794 13.977 -3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.162 9.775 -3.898 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.465 11.843 -4.323 1.00 0.00 H new ATOM 1664 N LEU A 109 3.200 10.667 -2.942 1.00 0.00 N ATOM 1665 CA LEU A 109 2.938 9.811 -4.096 1.00 0.00 C ATOM 1666 C LEU A 109 1.824 10.359 -4.976 1.00 0.00 C ATOM 1667 O LEU A 109 1.838 10.191 -6.194 1.00 0.00 O ATOM 1668 CB LEU A 109 2.529 8.421 -3.589 1.00 0.00 C ATOM 1669 CG LEU A 109 3.657 7.618 -2.908 1.00 0.00 C ATOM 1670 CD1 LEU A 109 3.060 6.425 -2.160 1.00 0.00 C ATOM 1671 CD2 LEU A 109 4.696 7.114 -3.892 1.00 0.00 C ATOM 0 H LEU A 109 3.086 10.176 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 109 3.846 9.766 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.707 8.536 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.148 7.842 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 109 4.158 8.297 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.859 5.860 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.363 6.783 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.532 5.781 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.464 6.557 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.218 6.462 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.153 7.961 -4.404 1.00 0.00 H new ATOM 1683 N ASN A 110 0.821 10.973 -4.355 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.252 11.637 -5.085 1.00 0.00 C ATOM 1685 C ASN A 110 0.275 12.883 -5.784 1.00 0.00 C ATOM 1686 O ASN A 110 -0.062 13.108 -6.943 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.381 12.057 -4.136 1.00 0.00 C ATOM 1688 CG ASN A 110 -2.441 10.994 -3.918 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.542 11.076 -4.462 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.201 10.066 -3.010 1.00 0.00 N ATOM 0 H ASN A 110 0.730 11.024 -3.340 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.637 10.929 -5.819 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.949 12.325 -3.172 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.858 12.953 -4.532 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -2.933 9.405 -2.751 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.284 10.010 -2.568 1.00 0.00 H new ATOM 1697 N ALA A 111 1.056 13.705 -5.078 1.00 0.00 N ATOM 1698 CA ALA A 111 1.604 14.952 -5.591 1.00 0.00 C ATOM 1699 C ALA A 111 2.679 14.733 -6.665 1.00 0.00 C ATOM 1700 O ALA A 111 3.059 15.698 -7.331 1.00 0.00 O ATOM 1701 CB ALA A 111 2.170 15.779 -4.432 1.00 0.00 C ATOM 0 H ALA A 111 1.328 13.513 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 111 0.789 15.492 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.580 16.713 -4.817 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.375 15.999 -3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.958 15.215 -3.933 1.00 0.00 H new ATOM 1707 N LEU A 112 3.173 13.505 -6.855 1.00 0.00 N ATOM 1708 CA LEU A 112 4.025 13.190 -7.990 1.00 0.00 C ATOM 1709 C LEU A 112 3.218 13.170 -9.278 1.00 0.00 C ATOM 1710 O LEU A 112 3.731 13.602 -10.307 1.00 0.00 O ATOM 1711 CB LEU A 112 4.746 11.847 -7.801 1.00 0.00 C ATOM 1712 CG LEU A 112 5.698 11.793 -6.587 1.00 0.00 C ATOM 1713 CD1 LEU A 112 6.625 10.572 -6.673 1.00 0.00 C ATOM 1714 CD2 LEU A 112 6.503 13.088 -6.438 1.00 0.00 C ATOM 0 H LEU A 112 2.993 12.717 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 112 4.781 13.973 -8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.999 11.060 -7.695 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.316 11.626 -8.703 1.00 0.00 H new ATOM 0 HG LEU A 112 5.083 11.691 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 112 7.286 10.556 -5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.026 9.661 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.221 10.631 -7.584 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.161 13.010 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.101 13.250 -7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.821 13.927 -6.301 1.00 0.00 H new