USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 663 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 60 LYS NZ :NH3+ -106:sc= 2.25 (180deg=1) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0.895 USER MOD Set 2.1: A 50 ASN : amide:sc= 1.88 K(o=3.2,f=-2) USER MOD Set 2.2: A 55 THR OG1 : rot 110:sc= 0.877 USER MOD Set 2.3: A 58 THR OG1 : rot 103:sc= 0.434 USER MOD Set 2.4: A 68 THR OG1 : rot -136:sc= 0.019 USER MOD Set 3.1: A 27 ASN : amide:sc= 1.32 K(o=2.2,f=-3.9) USER MOD Set 3.2: A 76 LYS NZ :NH3+ -170:sc= 0.924 (180deg=0) USER MOD Set 4.1: A 21 LYS NZ :NH3+ -178:sc= 1.24 (180deg=-0.0187) USER MOD Set 4.2: A 31 TYR OH : rot 100:sc= 1.01 USER MOD Set 5.1: A 16 TYR OH : rot 153:sc= 1.03 USER MOD Set 5.2: A 69 ASN : amide:sc= 0.707 K(o=1.7,f=-2.5!) USER MOD Set 6.1: A 1 MET N :NH3+ -164:sc= 1.62 (180deg=1.35) USER MOD Set 6.2: A 7 THR OG1 : rot -42:sc= 1.17 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.135 (180deg=-0.544) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 127:sc= 0.878 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -83:sc= 1.05 USER MOD Single : A 25 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 39 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.6) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc=-0.00711 F(o=-0.89,f=-0.0071) USER MOD Single : A 65 SER OG : rot 180:sc= -0.577 USER MOD Single : A 71 SER OG : rot -133:sc= 1.3 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -124:sc= 0.0594 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS :FLIP no HD1:sc= -0.491 F(o=-1.3,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.941 6.299 7.235 1.00 0.00 N ATOM 2 CA MET A 1 2.327 7.544 7.716 1.00 0.00 C ATOM 3 C MET A 1 2.323 7.642 9.252 1.00 0.00 C ATOM 4 O MET A 1 2.657 8.701 9.794 1.00 0.00 O ATOM 5 CB MET A 1 0.893 7.768 7.148 1.00 0.00 C ATOM 6 CG MET A 1 -0.192 6.843 7.703 1.00 0.00 C ATOM 7 SD MET A 1 -1.829 7.098 6.961 1.00 0.00 S ATOM 8 CE MET A 1 -2.108 8.845 7.261 1.00 0.00 C ATOM 0 H1 MET A 1 3.167 6.391 6.224 1.00 0.00 H new ATOM 0 H2 MET A 1 3.814 6.113 7.770 1.00 0.00 H new ATOM 0 H3 MET A 1 2.277 5.510 7.370 1.00 0.00 H new ATOM 0 HA MET A 1 2.959 8.345 7.333 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.601 8.800 7.345 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.928 7.648 6.065 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.111 5.808 7.544 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.265 6.991 8.780 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.161 9.077 7.105 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.832 9.087 8.287 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.501 9.434 6.574 1.00 0.00 H new ATOM 20 N VAL A 2 1.975 6.563 9.975 1.00 0.00 N ATOM 21 CA VAL A 2 1.937 6.678 11.423 1.00 0.00 C ATOM 22 C VAL A 2 3.124 5.987 12.073 1.00 0.00 C ATOM 23 O VAL A 2 3.859 6.608 12.840 1.00 0.00 O ATOM 24 CB VAL A 2 0.560 6.275 12.084 1.00 0.00 C ATOM 25 CG1 VAL A 2 0.158 4.834 11.818 1.00 0.00 C ATOM 26 CG2 VAL A 2 0.570 6.560 13.580 1.00 0.00 C ATOM 0 H VAL A 2 1.729 5.649 9.595 1.00 0.00 H new ATOM 0 HA VAL A 2 2.024 7.745 11.626 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.196 6.898 11.605 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.797 4.627 12.302 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.063 4.675 10.744 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.919 4.164 12.217 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.389 6.274 14.011 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.367 5.987 14.054 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.740 7.624 13.747 1.00 0.00 H new ATOM 36 N THR A 3 3.335 4.740 11.762 1.00 0.00 N ATOM 37 CA THR A 3 4.477 4.029 12.291 1.00 0.00 C ATOM 38 C THR A 3 5.189 3.248 11.215 1.00 0.00 C ATOM 39 O THR A 3 6.364 2.879 11.361 1.00 0.00 O ATOM 40 CB THR A 3 4.109 3.127 13.490 1.00 0.00 C ATOM 41 OG1 THR A 3 2.864 2.436 13.237 1.00 0.00 O ATOM 42 CG2 THR A 3 4.006 3.940 14.772 1.00 0.00 C ATOM 0 H THR A 3 2.736 4.190 11.146 1.00 0.00 H new ATOM 0 HA THR A 3 5.166 4.785 12.667 1.00 0.00 H new ATOM 0 HB THR A 3 4.903 2.391 13.615 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.644 1.867 14.004 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.746 3.281 15.601 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.963 4.420 14.976 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.235 4.702 14.659 1.00 0.00 H new ATOM 50 N ALA A 4 4.497 2.997 10.132 1.00 0.00 N ATOM 51 CA ALA A 4 5.091 2.324 9.033 1.00 0.00 C ATOM 52 C ALA A 4 5.458 3.340 7.978 1.00 0.00 C ATOM 53 O ALA A 4 4.916 4.457 7.959 1.00 0.00 O ATOM 54 CB ALA A 4 4.141 1.286 8.477 1.00 0.00 C ATOM 0 H ALA A 4 3.519 3.255 10.000 1.00 0.00 H new ATOM 0 HA ALA A 4 5.993 1.807 9.360 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.610 0.778 7.635 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.903 0.558 9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.225 1.773 8.143 1.00 0.00 H new ATOM 60 N ALA A 5 6.381 2.978 7.123 1.00 0.00 N ATOM 61 CA ALA A 5 6.801 3.847 6.040 1.00 0.00 C ATOM 62 C ALA A 5 5.916 3.620 4.827 1.00 0.00 C ATOM 63 O ALA A 5 6.056 4.283 3.798 1.00 0.00 O ATOM 64 CB ALA A 5 8.261 3.590 5.691 1.00 0.00 C ATOM 0 H ALA A 5 6.863 2.080 7.153 1.00 0.00 H new ATOM 0 HA ALA A 5 6.703 4.885 6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.562 4.249 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.884 3.784 6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.384 2.552 5.382 1.00 0.00 H new ATOM 70 N LEU A 6 5.003 2.687 4.959 1.00 0.00 N ATOM 71 CA LEU A 6 4.126 2.340 3.892 1.00 0.00 C ATOM 72 C LEU A 6 2.704 2.442 4.377 1.00 0.00 C ATOM 73 O LEU A 6 2.400 2.017 5.485 1.00 0.00 O ATOM 74 CB LEU A 6 4.388 0.912 3.456 1.00 0.00 C ATOM 75 CG LEU A 6 3.814 0.521 2.140 1.00 0.00 C ATOM 76 CD1 LEU A 6 4.526 1.279 1.058 1.00 0.00 C ATOM 77 CD2 LEU A 6 3.935 -0.967 1.930 1.00 0.00 C ATOM 0 H LEU A 6 4.856 2.152 5.815 1.00 0.00 H new ATOM 0 HA LEU A 6 4.293 3.015 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.466 0.754 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.992 0.241 4.218 1.00 0.00 H new ATOM 0 HG LEU A 6 2.753 0.768 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.114 1.001 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.393 2.349 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.589 1.038 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.510 -1.234 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.986 -1.254 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.396 -1.491 2.720 1.00 0.00 H new ATOM 89 N THR A 7 1.848 2.981 3.578 1.00 0.00 N ATOM 90 CA THR A 7 0.471 3.099 3.931 1.00 0.00 C ATOM 91 C THR A 7 -0.373 2.398 2.879 1.00 0.00 C ATOM 92 O THR A 7 -0.114 2.521 1.685 1.00 0.00 O ATOM 93 CB THR A 7 0.087 4.578 4.044 1.00 0.00 C ATOM 94 OG1 THR A 7 0.955 5.216 5.010 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.365 4.752 4.472 1.00 0.00 C ATOM 0 H THR A 7 2.082 3.354 2.658 1.00 0.00 H new ATOM 0 HA THR A 7 0.293 2.628 4.898 1.00 0.00 H new ATOM 0 HB THR A 7 0.202 5.038 3.063 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.072 4.627 5.784 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.599 5.814 4.541 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.020 4.283 3.737 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.516 4.283 5.444 1.00 0.00 H new ATOM 103 N ILE A 8 -1.340 1.641 3.310 1.00 0.00 N ATOM 104 CA ILE A 8 -2.188 0.925 2.409 1.00 0.00 C ATOM 105 C ILE A 8 -3.641 1.252 2.698 1.00 0.00 C ATOM 106 O ILE A 8 -4.085 1.242 3.856 1.00 0.00 O ATOM 107 CB ILE A 8 -1.928 -0.615 2.452 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.525 -0.937 1.924 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.978 -1.368 1.662 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.190 -2.410 1.909 1.00 0.00 C ATOM 0 H ILE A 8 -1.561 1.504 4.296 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.951 1.247 1.395 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.992 -0.939 3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.432 -0.545 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.210 -0.415 2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.772 -2.437 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.963 -1.169 2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.956 -1.040 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.819 -2.550 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.248 -2.807 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.899 -2.938 1.272 1.00 0.00 H new ATOM 122 N TYR A 9 -4.360 1.571 1.663 1.00 0.00 N ATOM 123 CA TYR A 9 -5.742 1.915 1.782 1.00 0.00 C ATOM 124 C TYR A 9 -6.607 0.672 1.602 1.00 0.00 C ATOM 125 O TYR A 9 -6.967 0.327 0.502 1.00 0.00 O ATOM 126 CB TYR A 9 -6.097 3.025 0.762 1.00 0.00 C ATOM 127 CG TYR A 9 -5.533 4.398 1.109 1.00 0.00 C ATOM 128 CD1 TYR A 9 -4.214 4.732 0.827 1.00 0.00 C ATOM 129 CD2 TYR A 9 -6.330 5.358 1.726 1.00 0.00 C ATOM 130 CE1 TYR A 9 -3.708 5.980 1.152 1.00 0.00 C ATOM 131 CE2 TYR A 9 -5.831 6.607 2.051 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.518 6.913 1.764 1.00 0.00 C ATOM 133 OH TYR A 9 -4.013 8.156 2.089 1.00 0.00 O ATOM 0 H TYR A 9 -4.001 1.599 0.709 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.940 2.308 2.779 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.728 2.731 -0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.182 3.099 0.686 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.573 4.007 0.347 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.359 5.123 1.956 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.680 6.222 0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.467 7.338 2.527 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.714 8.693 2.513 1.00 0.00 H new ATOM 143 N THR A 10 -6.892 -0.001 2.696 1.00 0.00 N ATOM 144 CA THR A 10 -7.666 -1.227 2.690 1.00 0.00 C ATOM 145 C THR A 10 -8.826 -1.148 3.668 1.00 0.00 C ATOM 146 O THR A 10 -8.839 -0.305 4.573 1.00 0.00 O ATOM 147 CB THR A 10 -6.776 -2.414 3.124 1.00 0.00 C ATOM 148 OG1 THR A 10 -5.934 -2.022 4.199 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.928 -2.962 2.019 1.00 0.00 C ATOM 0 H THR A 10 -6.590 0.290 3.626 1.00 0.00 H new ATOM 0 HA THR A 10 -8.043 -1.368 1.677 1.00 0.00 H new ATOM 0 HB THR A 10 -7.458 -3.207 3.431 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.041 -2.649 4.944 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.330 -3.792 2.396 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.568 -3.314 1.210 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.267 -2.180 1.645 1.00 0.00 H new ATOM 157 N THR A 11 -9.794 -2.001 3.468 1.00 0.00 N ATOM 158 CA THR A 11 -10.872 -2.176 4.388 1.00 0.00 C ATOM 159 C THR A 11 -10.750 -3.597 4.916 1.00 0.00 C ATOM 160 O THR A 11 -9.992 -4.404 4.341 1.00 0.00 O ATOM 161 CB THR A 11 -12.251 -2.050 3.675 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.305 -2.962 2.571 1.00 0.00 O ATOM 163 CG2 THR A 11 -12.514 -0.653 3.156 1.00 0.00 C ATOM 0 H THR A 11 -9.852 -2.601 2.645 1.00 0.00 H new ATOM 0 HA THR A 11 -10.820 -1.419 5.170 1.00 0.00 H new ATOM 0 HB THR A 11 -13.014 -2.283 4.417 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.174 -2.883 2.124 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.489 -0.623 2.669 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.502 0.052 3.987 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.741 -0.380 2.438 1.00 0.00 H new ATOM 171 N SER A 12 -11.457 -3.929 5.975 1.00 0.00 N ATOM 172 CA SER A 12 -11.509 -5.306 6.424 1.00 0.00 C ATOM 173 C SER A 12 -12.363 -6.133 5.427 1.00 0.00 C ATOM 174 O SER A 12 -12.316 -7.374 5.401 1.00 0.00 O ATOM 175 CB SER A 12 -12.113 -5.368 7.843 1.00 0.00 C ATOM 176 OG SER A 12 -12.116 -6.689 8.363 1.00 0.00 O ATOM 0 H SER A 12 -11.999 -3.273 6.537 1.00 0.00 H new ATOM 0 HA SER A 12 -10.503 -5.725 6.461 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.544 -4.718 8.508 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.133 -4.985 7.820 1.00 0.00 H new ATOM 0 HG SER A 12 -12.504 -6.686 9.263 1.00 0.00 H new ATOM 182 N TRP A 13 -13.088 -5.425 4.569 1.00 0.00 N ATOM 183 CA TRP A 13 -14.014 -6.028 3.643 1.00 0.00 C ATOM 184 C TRP A 13 -13.279 -6.338 2.349 1.00 0.00 C ATOM 185 O TRP A 13 -13.381 -5.586 1.368 1.00 0.00 O ATOM 186 CB TRP A 13 -15.172 -5.063 3.316 1.00 0.00 C ATOM 187 CG TRP A 13 -15.656 -4.240 4.469 1.00 0.00 C ATOM 188 CD1 TRP A 13 -15.681 -4.585 5.783 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.206 -2.932 4.392 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.168 -3.562 6.528 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.516 -2.536 5.700 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.460 -2.051 3.342 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -17.064 -1.299 5.988 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -17.010 -0.825 3.631 1.00 0.00 C ATOM 195 CH2 TRP A 13 -17.306 -0.460 4.943 1.00 0.00 C ATOM 0 H TRP A 13 -13.043 -4.408 4.503 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.418 -6.933 4.097 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -14.851 -4.392 2.519 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.009 -5.643 2.927 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -15.359 -5.537 6.177 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -16.259 -3.560 7.544 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -16.230 -2.326 2.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -17.291 -1.009 7.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -17.216 -0.133 2.828 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -17.737 0.511 5.136 1.00 0.00 H new ATOM 206 N CYS A 14 -12.490 -7.366 2.357 1.00 0.00 N ATOM 207 CA CYS A 14 -11.733 -7.703 1.188 1.00 0.00 C ATOM 208 C CYS A 14 -11.330 -9.157 1.245 1.00 0.00 C ATOM 209 O CYS A 14 -11.355 -9.773 2.322 1.00 0.00 O ATOM 210 CB CYS A 14 -10.490 -6.799 1.089 1.00 0.00 C ATOM 211 SG CYS A 14 -9.592 -6.912 -0.496 1.00 0.00 S ATOM 0 H CYS A 14 -12.352 -7.986 3.155 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.346 -7.545 0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.796 -5.765 1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.806 -7.055 1.898 1.00 0.00 H new ATOM 216 N GLY A 15 -11.005 -9.703 0.100 1.00 0.00 N ATOM 217 CA GLY A 15 -10.563 -11.059 0.002 1.00 0.00 C ATOM 218 C GLY A 15 -9.243 -11.132 -0.722 1.00 0.00 C ATOM 219 O GLY A 15 -8.321 -11.811 -0.283 1.00 0.00 O ATOM 0 H GLY A 15 -11.042 -9.210 -0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.462 -11.488 0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.308 -11.653 -0.527 1.00 0.00 H new ATOM 223 N TYR A 16 -9.128 -10.384 -1.817 1.00 0.00 N ATOM 224 CA TYR A 16 -7.912 -10.391 -2.612 1.00 0.00 C ATOM 225 C TYR A 16 -6.759 -9.662 -1.904 1.00 0.00 C ATOM 226 O TYR A 16 -5.586 -9.982 -2.126 1.00 0.00 O ATOM 227 CB TYR A 16 -8.143 -9.803 -4.029 1.00 0.00 C ATOM 228 CG TYR A 16 -6.868 -9.767 -4.851 1.00 0.00 C ATOM 229 CD1 TYR A 16 -6.377 -10.914 -5.456 1.00 0.00 C ATOM 230 CD2 TYR A 16 -6.121 -8.600 -4.958 1.00 0.00 C ATOM 231 CE1 TYR A 16 -5.182 -10.902 -6.133 1.00 0.00 C ATOM 232 CE2 TYR A 16 -4.934 -8.581 -5.645 1.00 0.00 C ATOM 233 CZ TYR A 16 -4.468 -9.735 -6.227 1.00 0.00 C ATOM 234 OH TYR A 16 -3.259 -9.729 -6.875 1.00 0.00 O ATOM 0 H TYR A 16 -9.862 -9.769 -2.169 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.625 -11.436 -2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.892 -10.399 -4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.544 -8.793 -3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.943 -11.832 -5.394 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.481 -7.694 -4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.807 -11.806 -6.589 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.369 -7.664 -5.728 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.086 -8.835 -7.236 1.00 0.00 H new ATOM 244 N CYS A 17 -7.092 -8.711 -1.043 1.00 0.00 N ATOM 245 CA CYS A 17 -6.095 -7.903 -0.331 1.00 0.00 C ATOM 246 C CYS A 17 -5.099 -8.786 0.430 1.00 0.00 C ATOM 247 O CYS A 17 -3.911 -8.454 0.533 1.00 0.00 O ATOM 248 CB CYS A 17 -6.781 -6.922 0.627 1.00 0.00 C ATOM 249 SG CYS A 17 -7.939 -5.785 -0.200 1.00 0.00 S ATOM 0 H CYS A 17 -8.057 -8.473 -0.814 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.537 -7.334 -1.075 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.320 -7.487 1.387 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.019 -6.339 1.144 1.00 0.00 H new ATOM 254 N LEU A 18 -5.588 -9.935 0.905 1.00 0.00 N ATOM 255 CA LEU A 18 -4.801 -10.919 1.630 1.00 0.00 C ATOM 256 C LEU A 18 -3.563 -11.363 0.835 1.00 0.00 C ATOM 257 O LEU A 18 -2.502 -11.600 1.419 1.00 0.00 O ATOM 258 CB LEU A 18 -5.668 -12.121 1.945 1.00 0.00 C ATOM 259 CG LEU A 18 -5.043 -13.185 2.833 1.00 0.00 C ATOM 260 CD1 LEU A 18 -4.643 -12.599 4.183 1.00 0.00 C ATOM 261 CD2 LEU A 18 -6.022 -14.292 3.029 1.00 0.00 C ATOM 0 H LEU A 18 -6.564 -10.207 0.790 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.449 -10.456 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.582 -11.768 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.961 -12.588 1.005 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.143 -13.566 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.198 -13.379 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.919 -11.799 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.526 -12.200 4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.581 -15.059 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.923 -13.902 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.279 -14.726 2.063 1.00 0.00 H new ATOM 273 N ARG A 19 -3.699 -11.412 -0.500 1.00 0.00 N ATOM 274 CA ARG A 19 -2.621 -11.833 -1.406 1.00 0.00 C ATOM 275 C ARG A 19 -1.423 -10.908 -1.233 1.00 0.00 C ATOM 276 O ARG A 19 -0.284 -11.351 -1.163 1.00 0.00 O ATOM 277 CB ARG A 19 -3.138 -11.808 -2.884 1.00 0.00 C ATOM 278 CG ARG A 19 -2.230 -12.450 -3.968 1.00 0.00 C ATOM 279 CD ARG A 19 -0.972 -11.638 -4.307 1.00 0.00 C ATOM 280 NE ARG A 19 -1.281 -10.346 -4.952 1.00 0.00 N ATOM 281 CZ ARG A 19 -0.497 -9.260 -4.927 1.00 0.00 C ATOM 282 NH1 ARG A 19 0.656 -9.270 -4.258 1.00 0.00 N ATOM 283 NH2 ARG A 19 -0.863 -8.165 -5.576 1.00 0.00 N ATOM 0 H ARG A 19 -4.562 -11.160 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.311 -12.850 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.104 -12.312 -2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.312 -10.769 -3.163 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.927 -13.441 -3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.814 -12.588 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.405 -11.457 -3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.333 -12.225 -4.967 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.164 -10.275 -5.458 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.949 -10.110 -3.759 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.246 -8.438 -4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.741 -8.149 -6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.267 -7.338 -5.557 1.00 0.00 H new ATOM 297 N LEU A 20 -1.691 -9.633 -1.133 1.00 0.00 N ATOM 298 CA LEU A 20 -0.628 -8.663 -1.008 1.00 0.00 C ATOM 299 C LEU A 20 -0.195 -8.532 0.449 1.00 0.00 C ATOM 300 O LEU A 20 0.994 -8.413 0.741 1.00 0.00 O ATOM 301 CB LEU A 20 -1.065 -7.305 -1.571 1.00 0.00 C ATOM 302 CG LEU A 20 -0.080 -6.122 -1.442 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.087 -6.185 -2.437 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.821 -4.803 -1.541 1.00 0.00 C ATOM 0 H LEU A 20 -2.632 -9.240 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 20 0.226 -9.010 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.292 -7.438 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.995 -7.022 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 20 0.374 -6.200 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.738 -5.323 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.655 -7.101 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.698 -6.175 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.113 -3.980 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.326 -4.741 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.558 -4.739 -0.741 1.00 0.00 H new ATOM 316 N LYS A 21 -1.172 -8.580 1.348 1.00 0.00 N ATOM 317 CA LYS A 21 -0.938 -8.448 2.788 1.00 0.00 C ATOM 318 C LYS A 21 0.068 -9.460 3.307 1.00 0.00 C ATOM 319 O LYS A 21 1.031 -9.096 3.995 1.00 0.00 O ATOM 320 CB LYS A 21 -2.251 -8.569 3.560 1.00 0.00 C ATOM 321 CG LYS A 21 -3.167 -7.359 3.424 1.00 0.00 C ATOM 322 CD LYS A 21 -4.522 -7.569 4.107 1.00 0.00 C ATOM 323 CE LYS A 21 -4.400 -7.925 5.591 1.00 0.00 C ATOM 324 NZ LYS A 21 -3.657 -6.908 6.361 1.00 0.00 N ATOM 0 H LYS A 21 -2.153 -8.712 1.101 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.515 -7.456 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.783 -9.455 3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.026 -8.724 4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.677 -6.486 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.326 -7.145 2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.117 -6.662 4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.062 -8.364 3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.397 -8.040 6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.898 -8.888 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.574 -7.214 7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.707 -6.790 5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.166 -6.002 6.320 1.00 0.00 H new ATOM 338 N THR A 22 -0.126 -10.707 2.951 1.00 0.00 N ATOM 339 CA THR A 22 0.745 -11.766 3.406 1.00 0.00 C ATOM 340 C THR A 22 2.132 -11.630 2.791 1.00 0.00 C ATOM 341 O THR A 22 3.139 -11.801 3.467 1.00 0.00 O ATOM 342 CB THR A 22 0.145 -13.133 3.064 1.00 0.00 C ATOM 343 OG1 THR A 22 -0.208 -13.155 1.669 1.00 0.00 O ATOM 344 CG2 THR A 22 -1.089 -13.392 3.902 1.00 0.00 C ATOM 0 H THR A 22 -0.885 -11.016 2.343 1.00 0.00 H new ATOM 0 HA THR A 22 0.842 -11.685 4.489 1.00 0.00 H new ATOM 0 HB THR A 22 0.880 -13.909 3.276 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.089 -12.743 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.504 -14.367 3.647 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.821 -13.376 4.958 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.832 -12.619 3.704 1.00 0.00 H new ATOM 352 N ALA A 23 2.155 -11.271 1.521 1.00 0.00 N ATOM 353 CA ALA A 23 3.379 -11.086 0.760 1.00 0.00 C ATOM 354 C ALA A 23 4.261 -10.014 1.377 1.00 0.00 C ATOM 355 O ALA A 23 5.474 -10.210 1.555 1.00 0.00 O ATOM 356 CB ALA A 23 3.033 -10.738 -0.671 1.00 0.00 C ATOM 0 H ALA A 23 1.309 -11.096 0.979 1.00 0.00 H new ATOM 0 HA ALA A 23 3.944 -12.018 0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.950 -10.599 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.450 -11.547 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.450 -9.817 -0.691 1.00 0.00 H new ATOM 362 N LEU A 24 3.657 -8.899 1.734 1.00 0.00 N ATOM 363 CA LEU A 24 4.392 -7.812 2.340 1.00 0.00 C ATOM 364 C LEU A 24 4.846 -8.185 3.739 1.00 0.00 C ATOM 365 O LEU A 24 5.995 -7.965 4.100 1.00 0.00 O ATOM 366 CB LEU A 24 3.574 -6.517 2.361 1.00 0.00 C ATOM 367 CG LEU A 24 3.125 -5.975 1.000 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.471 -4.622 1.162 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.288 -5.890 0.024 1.00 0.00 C ATOM 0 H LEU A 24 2.659 -8.723 1.614 1.00 0.00 H new ATOM 0 HA LEU A 24 5.275 -7.631 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.687 -6.683 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.165 -5.747 2.858 1.00 0.00 H new ATOM 0 HG LEU A 24 2.396 -6.672 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.158 -4.250 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.601 -4.714 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.182 -3.925 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.934 -5.502 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.052 -5.224 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.713 -6.883 -0.123 1.00 0.00 H new ATOM 381 N THR A 25 3.969 -8.812 4.490 1.00 0.00 N ATOM 382 CA THR A 25 4.270 -9.221 5.847 1.00 0.00 C ATOM 383 C THR A 25 5.398 -10.292 5.874 1.00 0.00 C ATOM 384 O THR A 25 6.271 -10.278 6.761 1.00 0.00 O ATOM 385 CB THR A 25 2.982 -9.721 6.540 1.00 0.00 C ATOM 386 OG1 THR A 25 1.986 -8.672 6.471 1.00 0.00 O ATOM 387 CG2 THR A 25 3.230 -10.084 7.999 1.00 0.00 C ATOM 0 H THR A 25 3.028 -9.053 4.180 1.00 0.00 H new ATOM 0 HA THR A 25 4.643 -8.360 6.402 1.00 0.00 H new ATOM 0 HB THR A 25 2.640 -10.620 6.028 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.434 -8.797 5.671 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.301 -10.431 8.451 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.978 -10.875 8.055 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.589 -9.206 8.536 1.00 0.00 H new ATOM 395 N ALA A 26 5.413 -11.172 4.871 1.00 0.00 N ATOM 396 CA ALA A 26 6.455 -12.191 4.741 1.00 0.00 C ATOM 397 C ALA A 26 7.771 -11.554 4.322 1.00 0.00 C ATOM 398 O ALA A 26 8.842 -12.044 4.633 1.00 0.00 O ATOM 399 CB ALA A 26 6.043 -13.265 3.741 1.00 0.00 C ATOM 0 H ALA A 26 4.710 -11.199 4.133 1.00 0.00 H new ATOM 0 HA ALA A 26 6.590 -12.665 5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.834 -14.011 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.125 -13.744 4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.876 -12.809 2.765 1.00 0.00 H new ATOM 405 N ASN A 27 7.675 -10.436 3.651 1.00 0.00 N ATOM 406 CA ASN A 27 8.845 -9.688 3.205 1.00 0.00 C ATOM 407 C ASN A 27 9.258 -8.650 4.221 1.00 0.00 C ATOM 408 O ASN A 27 10.099 -7.793 3.942 1.00 0.00 O ATOM 409 CB ASN A 27 8.606 -9.059 1.839 1.00 0.00 C ATOM 410 CG ASN A 27 8.976 -9.983 0.708 1.00 0.00 C ATOM 411 OD1 ASN A 27 10.126 -9.995 0.248 1.00 0.00 O ATOM 412 ND2 ASN A 27 8.033 -10.745 0.240 1.00 0.00 N ATOM 0 H ASN A 27 6.786 -10.009 3.392 1.00 0.00 H new ATOM 0 HA ASN A 27 9.669 -10.394 3.107 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.556 -8.781 1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.187 -8.140 1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.228 -11.382 -0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.098 -10.707 0.645 1.00 0.00 H new ATOM 419 N ARG A 28 8.648 -8.743 5.411 1.00 0.00 N ATOM 420 CA ARG A 28 8.948 -7.903 6.588 1.00 0.00 C ATOM 421 C ARG A 28 8.584 -6.440 6.333 1.00 0.00 C ATOM 422 O ARG A 28 9.094 -5.535 6.985 1.00 0.00 O ATOM 423 CB ARG A 28 10.432 -8.031 7.002 1.00 0.00 C ATOM 424 CG ARG A 28 10.936 -9.469 7.138 1.00 0.00 C ATOM 425 CD ARG A 28 10.145 -10.290 8.150 1.00 0.00 C ATOM 426 NE ARG A 28 10.612 -11.685 8.173 1.00 0.00 N ATOM 427 CZ ARG A 28 10.186 -12.656 8.997 1.00 0.00 C ATOM 428 NH1 ARG A 28 9.252 -12.415 9.907 1.00 0.00 N ATOM 429 NH2 ARG A 28 10.688 -13.873 8.891 1.00 0.00 N ATOM 0 H ARG A 28 7.910 -9.424 5.590 1.00 0.00 H new ATOM 0 HA ARG A 28 8.334 -8.265 7.412 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.046 -7.513 6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.575 -7.519 7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.886 -9.958 6.165 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.985 -9.453 7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.250 -9.851 9.142 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.085 -10.261 7.899 1.00 0.00 H new ATOM 0 HE ARG A 28 11.331 -11.940 7.496 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.847 -11.482 9.988 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.938 -13.162 10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.397 -14.073 8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.367 -14.613 9.515 1.00 0.00 H new ATOM 443 N ILE A 29 7.680 -6.223 5.421 1.00 0.00 N ATOM 444 CA ILE A 29 7.230 -4.901 5.090 1.00 0.00 C ATOM 445 C ILE A 29 6.037 -4.555 5.981 1.00 0.00 C ATOM 446 O ILE A 29 5.117 -5.366 6.145 1.00 0.00 O ATOM 447 CB ILE A 29 6.834 -4.814 3.587 1.00 0.00 C ATOM 448 CG1 ILE A 29 8.052 -5.134 2.696 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.256 -3.443 3.245 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.747 -5.172 1.214 1.00 0.00 C ATOM 0 H ILE A 29 7.231 -6.964 4.882 1.00 0.00 H new ATOM 0 HA ILE A 29 8.036 -4.187 5.260 1.00 0.00 H new ATOM 0 HB ILE A 29 6.058 -5.555 3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.826 -4.388 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.463 -6.098 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.989 -3.414 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.367 -3.262 3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.999 -2.673 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.657 -5.403 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.998 -5.938 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.366 -4.202 0.896 1.00 0.00 H new ATOM 462 N ALA A 30 6.084 -3.398 6.590 1.00 0.00 N ATOM 463 CA ALA A 30 5.024 -2.944 7.456 1.00 0.00 C ATOM 464 C ALA A 30 4.179 -1.933 6.721 1.00 0.00 C ATOM 465 O ALA A 30 4.685 -1.224 5.852 1.00 0.00 O ATOM 466 CB ALA A 30 5.601 -2.330 8.713 1.00 0.00 C ATOM 0 H ALA A 30 6.860 -2.742 6.500 1.00 0.00 H new ATOM 0 HA ALA A 30 4.403 -3.793 7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.790 -1.991 9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.198 -3.074 9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.231 -1.482 8.447 1.00 0.00 H new ATOM 472 N TYR A 31 2.913 -1.861 7.060 1.00 0.00 N ATOM 473 CA TYR A 31 2.009 -0.957 6.392 1.00 0.00 C ATOM 474 C TYR A 31 0.922 -0.444 7.329 1.00 0.00 C ATOM 475 O TYR A 31 0.384 -1.201 8.154 1.00 0.00 O ATOM 476 CB TYR A 31 1.401 -1.621 5.138 1.00 0.00 C ATOM 477 CG TYR A 31 0.758 -2.992 5.362 1.00 0.00 C ATOM 478 CD1 TYR A 31 1.516 -4.161 5.267 1.00 0.00 C ATOM 479 CD2 TYR A 31 -0.598 -3.117 5.651 1.00 0.00 C ATOM 480 CE1 TYR A 31 0.944 -5.403 5.458 1.00 0.00 C ATOM 481 CE2 TYR A 31 -1.173 -4.360 5.840 1.00 0.00 C ATOM 482 CZ TYR A 31 -0.398 -5.494 5.743 1.00 0.00 C ATOM 483 OH TYR A 31 -0.977 -6.729 5.929 1.00 0.00 O ATOM 0 H TYR A 31 2.485 -2.421 7.798 1.00 0.00 H new ATOM 0 HA TYR A 31 2.587 -0.090 6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.649 -0.950 4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.185 -1.725 4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.570 -4.092 5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.210 -2.230 5.729 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.546 -6.296 5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.227 -4.441 6.063 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.070 -6.906 6.888 1.00 0.00 H new ATOM 493 N ASP A 32 0.625 0.840 7.225 1.00 0.00 N ATOM 494 CA ASP A 32 -0.444 1.435 8.007 1.00 0.00 C ATOM 495 C ASP A 32 -1.720 1.265 7.187 1.00 0.00 C ATOM 496 O ASP A 32 -1.831 1.840 6.097 1.00 0.00 O ATOM 497 CB ASP A 32 -0.280 2.979 8.235 1.00 0.00 C ATOM 498 CG ASP A 32 1.133 3.539 8.387 1.00 0.00 C ATOM 499 OD1 ASP A 32 1.721 3.557 9.503 1.00 0.00 O ATOM 500 OD2 ASP A 32 1.634 4.086 7.402 1.00 0.00 O ATOM 0 H ASP A 32 1.110 1.490 6.606 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.449 0.950 8.983 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.753 3.492 7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.842 3.245 9.130 1.00 0.00 H new ATOM 505 N GLU A 33 -2.639 0.456 7.652 1.00 0.00 N ATOM 506 CA GLU A 33 -3.928 0.314 6.991 1.00 0.00 C ATOM 507 C GLU A 33 -4.847 1.444 7.459 1.00 0.00 C ATOM 508 O GLU A 33 -5.003 1.680 8.663 1.00 0.00 O ATOM 509 CB GLU A 33 -4.522 -1.092 7.238 1.00 0.00 C ATOM 510 CG GLU A 33 -6.035 -1.190 7.174 1.00 0.00 C ATOM 511 CD GLU A 33 -6.497 -2.600 7.378 1.00 0.00 C ATOM 512 OE1 GLU A 33 -6.488 -3.082 8.531 1.00 0.00 O ATOM 513 OE2 GLU A 33 -6.806 -3.279 6.387 1.00 0.00 O ATOM 0 H GLU A 33 -2.525 -0.119 8.487 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.811 0.400 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.101 -1.778 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.196 -1.436 8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.476 -0.547 7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.385 -0.826 6.208 1.00 0.00 H new ATOM 520 N VAL A 34 -5.401 2.156 6.516 1.00 0.00 N ATOM 521 CA VAL A 34 -6.188 3.348 6.793 1.00 0.00 C ATOM 522 C VAL A 34 -7.606 3.013 7.347 1.00 0.00 C ATOM 523 O VAL A 34 -8.165 1.948 7.097 1.00 0.00 O ATOM 524 CB VAL A 34 -6.276 4.249 5.515 1.00 0.00 C ATOM 525 CG1 VAL A 34 -6.885 5.614 5.804 1.00 0.00 C ATOM 526 CG2 VAL A 34 -4.902 4.419 4.895 1.00 0.00 C ATOM 0 H VAL A 34 -5.324 1.932 5.524 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.675 3.902 7.579 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.936 3.740 4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.922 6.198 4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.895 5.487 6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.274 6.136 6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.978 5.047 4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.233 4.889 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.506 3.443 4.615 1.00 0.00 H new ATOM 536 N ASP A 35 -8.159 3.962 8.086 1.00 0.00 N ATOM 537 CA ASP A 35 -9.484 3.899 8.754 1.00 0.00 C ATOM 538 C ASP A 35 -10.686 3.908 7.788 1.00 0.00 C ATOM 539 O ASP A 35 -11.828 3.892 8.235 1.00 0.00 O ATOM 540 CB ASP A 35 -9.654 5.018 9.802 1.00 0.00 C ATOM 541 CG ASP A 35 -8.745 4.876 11.010 1.00 0.00 C ATOM 542 OD1 ASP A 35 -9.143 4.236 12.004 1.00 0.00 O ATOM 543 OD2 ASP A 35 -7.633 5.432 10.995 1.00 0.00 O ATOM 0 H ASP A 35 -7.685 4.849 8.255 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.487 2.929 9.251 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.461 5.980 9.326 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.690 5.031 10.140 1.00 0.00 H new ATOM 548 N ILE A 36 -10.412 3.981 6.484 1.00 0.00 N ATOM 549 CA ILE A 36 -11.419 4.213 5.389 1.00 0.00 C ATOM 550 C ILE A 36 -12.730 3.421 5.461 1.00 0.00 C ATOM 551 O ILE A 36 -13.727 3.862 4.897 1.00 0.00 O ATOM 552 CB ILE A 36 -10.831 3.971 3.989 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.324 2.539 3.866 1.00 0.00 C ATOM 554 CG2 ILE A 36 -9.725 4.959 3.693 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.020 2.126 2.455 1.00 0.00 C ATOM 0 H ILE A 36 -9.462 3.880 6.126 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.667 5.260 5.561 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.622 4.120 3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.423 2.429 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.071 1.862 4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.324 4.769 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.122 5.973 3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.931 4.848 4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.664 1.096 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.924 2.203 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.251 2.779 2.042 1.00 0.00 H new ATOM 567 N GLU A 37 -12.749 2.278 6.109 1.00 0.00 N ATOM 568 CA GLU A 37 -13.991 1.527 6.203 1.00 0.00 C ATOM 569 C GLU A 37 -15.013 2.261 7.066 1.00 0.00 C ATOM 570 O GLU A 37 -16.229 2.096 6.905 1.00 0.00 O ATOM 571 CB GLU A 37 -13.762 0.124 6.707 1.00 0.00 C ATOM 572 CG GLU A 37 -13.037 0.016 8.021 1.00 0.00 C ATOM 573 CD GLU A 37 -13.077 -1.385 8.530 1.00 0.00 C ATOM 574 OE1 GLU A 37 -12.294 -2.220 8.041 1.00 0.00 O ATOM 575 OE2 GLU A 37 -13.913 -1.672 9.422 1.00 0.00 O ATOM 0 H GLU A 37 -11.944 1.852 6.569 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.397 1.446 5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.729 -0.370 6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.197 -0.426 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.002 0.334 7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.493 0.686 8.750 1.00 0.00 H new ATOM 582 N HIS A 38 -14.514 3.073 7.956 1.00 0.00 N ATOM 583 CA HIS A 38 -15.344 3.882 8.796 1.00 0.00 C ATOM 584 C HIS A 38 -15.202 5.333 8.345 1.00 0.00 C ATOM 585 O HIS A 38 -16.183 6.051 8.205 1.00 0.00 O ATOM 586 CB HIS A 38 -14.917 3.717 10.266 1.00 0.00 C ATOM 587 CG HIS A 38 -15.842 4.348 11.274 1.00 0.00 C ATOM 588 ND1 HIS A 38 -16.733 3.635 12.050 1.00 0.00 N ATOM 589 CD2 HIS A 38 -15.975 5.644 11.653 1.00 0.00 C ATOM 590 CE1 HIS A 38 -17.359 4.489 12.853 1.00 0.00 C ATOM 591 NE2 HIS A 38 -16.938 5.733 12.654 1.00 0.00 N ATOM 0 H HIS A 38 -13.514 3.191 8.118 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.387 3.576 8.716 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.835 2.653 10.487 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -13.923 4.146 10.390 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.421 6.475 11.243 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -18.112 4.208 13.574 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -17.254 6.576 13.134 1.00 0.00 H new ATOM 599 N ASN A 39 -13.970 5.740 8.084 1.00 0.00 N ATOM 600 CA ASN A 39 -13.687 7.110 7.681 1.00 0.00 C ATOM 601 C ASN A 39 -13.993 7.326 6.227 1.00 0.00 C ATOM 602 O ASN A 39 -13.201 6.955 5.353 1.00 0.00 O ATOM 603 CB ASN A 39 -12.234 7.487 7.903 1.00 0.00 C ATOM 604 CG ASN A 39 -11.971 8.958 7.583 1.00 0.00 C ATOM 605 OD1 ASN A 39 -12.808 9.831 7.832 1.00 0.00 O ATOM 606 ND2 ASN A 39 -10.892 9.223 6.916 1.00 0.00 N ATOM 0 H ASN A 39 -13.147 5.140 8.144 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.326 7.737 8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.961 7.287 8.939 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.597 6.860 7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.718 10.171 6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.217 8.483 6.724 1.00 0.00 H new ATOM 613 N ARG A 40 -15.098 7.957 5.964 1.00 0.00 N ATOM 614 CA ARG A 40 -15.492 8.235 4.600 1.00 0.00 C ATOM 615 C ARG A 40 -14.613 9.315 3.964 1.00 0.00 C ATOM 616 O ARG A 40 -14.451 9.342 2.750 1.00 0.00 O ATOM 617 CB ARG A 40 -16.971 8.611 4.509 1.00 0.00 C ATOM 618 CG ARG A 40 -17.364 9.810 5.341 1.00 0.00 C ATOM 619 CD ARG A 40 -18.834 10.129 5.176 1.00 0.00 C ATOM 620 NE ARG A 40 -19.697 8.999 5.560 1.00 0.00 N ATOM 621 CZ ARG A 40 -20.982 8.875 5.213 1.00 0.00 C ATOM 622 NH1 ARG A 40 -21.615 9.879 4.612 1.00 0.00 N ATOM 623 NH2 ARG A 40 -21.646 7.769 5.522 1.00 0.00 N ATOM 0 H ARG A 40 -15.750 8.293 6.673 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.346 7.315 4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.219 8.811 3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.570 7.756 4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.147 9.615 6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.766 10.673 5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.085 10.998 5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.031 10.398 4.138 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.286 8.260 6.130 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.120 10.748 4.414 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.596 9.779 4.349 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.176 7.015 6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.627 7.672 5.258 1.00 0.00 H new ATOM 637 N ALA A 41 -13.991 10.159 4.788 1.00 0.00 N ATOM 638 CA ALA A 41 -13.184 11.251 4.266 1.00 0.00 C ATOM 639 C ALA A 41 -11.957 10.767 3.512 1.00 0.00 C ATOM 640 O ALA A 41 -11.604 11.323 2.479 1.00 0.00 O ATOM 641 CB ALA A 41 -12.861 12.299 5.325 1.00 0.00 C ATOM 0 H ALA A 41 -14.032 10.106 5.806 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.802 11.759 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.257 13.091 4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.788 12.723 5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.307 11.834 6.140 1.00 0.00 H new ATOM 647 N ALA A 42 -11.332 9.722 3.995 1.00 0.00 N ATOM 648 CA ALA A 42 -10.203 9.151 3.281 1.00 0.00 C ATOM 649 C ALA A 42 -10.694 8.130 2.262 1.00 0.00 C ATOM 650 O ALA A 42 -10.008 7.827 1.292 1.00 0.00 O ATOM 651 CB ALA A 42 -9.199 8.530 4.239 1.00 0.00 C ATOM 0 H ALA A 42 -11.576 9.251 4.866 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.689 9.953 2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.367 8.112 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.826 9.294 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.683 7.738 4.811 1.00 0.00 H new ATOM 657 N ALA A 43 -11.904 7.625 2.478 1.00 0.00 N ATOM 658 CA ALA A 43 -12.498 6.622 1.606 1.00 0.00 C ATOM 659 C ALA A 43 -12.793 7.191 0.225 1.00 0.00 C ATOM 660 O ALA A 43 -12.697 6.487 -0.791 1.00 0.00 O ATOM 661 CB ALA A 43 -13.752 6.054 2.232 1.00 0.00 C ATOM 0 H ALA A 43 -12.498 7.899 3.261 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.776 5.815 1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.184 5.306 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.504 5.591 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.473 6.855 2.393 1.00 0.00 H new ATOM 667 N GLU A 44 -13.150 8.458 0.179 1.00 0.00 N ATOM 668 CA GLU A 44 -13.380 9.124 -1.083 1.00 0.00 C ATOM 669 C GLU A 44 -12.060 9.339 -1.826 1.00 0.00 C ATOM 670 O GLU A 44 -12.017 9.295 -3.053 1.00 0.00 O ATOM 671 CB GLU A 44 -14.127 10.441 -0.892 1.00 0.00 C ATOM 672 CG GLU A 44 -15.533 10.274 -0.330 1.00 0.00 C ATOM 673 CD GLU A 44 -16.403 9.375 -1.190 1.00 0.00 C ATOM 674 OE1 GLU A 44 -16.650 9.709 -2.362 1.00 0.00 O ATOM 675 OE2 GLU A 44 -16.840 8.304 -0.714 1.00 0.00 O ATOM 0 H GLU A 44 -13.287 9.046 1.001 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.013 8.479 -1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.552 11.081 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.188 10.956 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.471 9.859 0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.004 11.253 -0.242 1.00 0.00 H new ATOM 682 N PHE A 45 -10.979 9.507 -1.074 1.00 0.00 N ATOM 683 CA PHE A 45 -9.649 9.689 -1.657 1.00 0.00 C ATOM 684 C PHE A 45 -9.206 8.409 -2.365 1.00 0.00 C ATOM 685 O PHE A 45 -8.535 8.451 -3.402 1.00 0.00 O ATOM 686 CB PHE A 45 -8.633 10.111 -0.577 1.00 0.00 C ATOM 687 CG PHE A 45 -7.219 10.271 -1.079 1.00 0.00 C ATOM 688 CD1 PHE A 45 -6.874 11.340 -1.892 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.240 9.348 -0.743 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.583 11.485 -2.357 1.00 0.00 C ATOM 691 CE2 PHE A 45 -4.947 9.488 -1.207 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.617 10.557 -2.013 1.00 0.00 C ATOM 0 H PHE A 45 -10.995 9.521 -0.054 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.696 10.489 -2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.959 11.054 -0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.640 9.369 0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.624 12.067 -2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.492 8.509 -0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.327 12.322 -2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.195 8.761 -0.939 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.606 10.669 -2.375 1.00 0.00 H new ATOM 702 N VAL A 46 -9.632 7.271 -1.825 1.00 0.00 N ATOM 703 CA VAL A 46 -9.345 5.965 -2.415 1.00 0.00 C ATOM 704 C VAL A 46 -9.981 5.885 -3.810 1.00 0.00 C ATOM 705 O VAL A 46 -9.439 5.263 -4.730 1.00 0.00 O ATOM 706 CB VAL A 46 -9.892 4.814 -1.527 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.514 3.454 -2.092 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.371 4.944 -0.115 1.00 0.00 C ATOM 0 H VAL A 46 -10.184 7.227 -0.969 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.263 5.852 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.979 4.891 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.911 2.669 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.931 3.347 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.428 3.369 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.764 4.130 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.282 4.898 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.691 5.898 0.304 1.00 0.00 H new ATOM 718 N GLY A 47 -11.107 6.553 -3.959 1.00 0.00 N ATOM 719 CA GLY A 47 -11.778 6.601 -5.232 1.00 0.00 C ATOM 720 C GLY A 47 -11.017 7.460 -6.211 1.00 0.00 C ATOM 721 O GLY A 47 -10.802 7.067 -7.352 1.00 0.00 O ATOM 0 H GLY A 47 -11.572 7.068 -3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.881 5.592 -5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.785 6.997 -5.102 1.00 0.00 H new ATOM 725 N SER A 48 -10.548 8.605 -5.731 1.00 0.00 N ATOM 726 CA SER A 48 -9.804 9.568 -6.532 1.00 0.00 C ATOM 727 C SER A 48 -8.532 8.951 -7.152 1.00 0.00 C ATOM 728 O SER A 48 -8.221 9.189 -8.326 1.00 0.00 O ATOM 729 CB SER A 48 -9.437 10.767 -5.656 1.00 0.00 C ATOM 730 OG SER A 48 -10.602 11.302 -5.036 1.00 0.00 O ATOM 0 H SER A 48 -10.676 8.894 -4.761 1.00 0.00 H new ATOM 0 HA SER A 48 -10.439 9.886 -7.359 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.719 10.463 -4.895 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.954 11.534 -6.262 1.00 0.00 H new ATOM 0 HG SER A 48 -10.353 12.067 -4.477 1.00 0.00 H new ATOM 736 N VAL A 49 -7.828 8.125 -6.384 1.00 0.00 N ATOM 737 CA VAL A 49 -6.586 7.514 -6.870 1.00 0.00 C ATOM 738 C VAL A 49 -6.839 6.310 -7.781 1.00 0.00 C ATOM 739 O VAL A 49 -5.906 5.773 -8.387 1.00 0.00 O ATOM 740 CB VAL A 49 -5.613 7.119 -5.720 1.00 0.00 C ATOM 741 CG1 VAL A 49 -5.184 8.346 -4.940 1.00 0.00 C ATOM 742 CG2 VAL A 49 -6.233 6.084 -4.790 1.00 0.00 C ATOM 0 H VAL A 49 -8.088 7.863 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.103 8.292 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.732 6.667 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.505 8.050 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.677 9.043 -5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.061 8.829 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.524 5.833 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.141 6.491 -4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.477 5.186 -5.357 1.00 0.00 H new ATOM 752 N ASN A 50 -8.082 5.892 -7.883 1.00 0.00 N ATOM 753 CA ASN A 50 -8.423 4.769 -8.741 1.00 0.00 C ATOM 754 C ASN A 50 -9.164 5.219 -9.979 1.00 0.00 C ATOM 755 O ASN A 50 -8.741 4.925 -11.099 1.00 0.00 O ATOM 756 CB ASN A 50 -9.194 3.673 -8.001 1.00 0.00 C ATOM 757 CG ASN A 50 -8.300 2.788 -7.151 1.00 0.00 C ATOM 758 OD1 ASN A 50 -7.766 1.801 -7.635 1.00 0.00 O ATOM 759 ND2 ASN A 50 -8.157 3.097 -5.887 1.00 0.00 N ATOM 0 H ASN A 50 -8.871 6.307 -7.388 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.478 4.328 -9.058 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.949 4.134 -7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.723 3.055 -8.727 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.588 2.508 -5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.614 3.927 -5.510 1.00 0.00 H new ATOM 766 N GLY A 51 -10.231 5.954 -9.799 1.00 0.00 N ATOM 767 CA GLY A 51 -10.980 6.440 -10.923 1.00 0.00 C ATOM 768 C GLY A 51 -12.458 6.344 -10.702 1.00 0.00 C ATOM 769 O GLY A 51 -13.086 7.286 -10.210 1.00 0.00 O ATOM 0 H GLY A 51 -10.598 6.227 -8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.710 7.478 -11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.709 5.870 -11.812 1.00 0.00 H new ATOM 773 N GLY A 52 -13.010 5.213 -11.037 1.00 0.00 N ATOM 774 CA GLY A 52 -14.424 5.024 -10.918 1.00 0.00 C ATOM 775 C GLY A 52 -14.790 4.200 -9.720 1.00 0.00 C ATOM 776 O GLY A 52 -15.721 4.534 -8.990 1.00 0.00 O ATOM 0 H GLY A 52 -12.499 4.406 -11.396 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.914 5.996 -10.851 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.800 4.539 -11.819 1.00 0.00 H new ATOM 780 N ASN A 53 -14.048 3.143 -9.483 1.00 0.00 N ATOM 781 CA ASN A 53 -14.339 2.247 -8.376 1.00 0.00 C ATOM 782 C ASN A 53 -13.142 2.104 -7.479 1.00 0.00 C ATOM 783 O ASN A 53 -11.999 2.199 -7.925 1.00 0.00 O ATOM 784 CB ASN A 53 -14.802 0.853 -8.853 1.00 0.00 C ATOM 785 CG ASN A 53 -16.165 0.834 -9.549 1.00 0.00 C ATOM 786 OD1 ASN A 53 -17.072 1.697 -9.153 1.00 0.00 O flip ATOM 787 ND2 ASN A 53 -16.408 0.006 -10.442 1.00 0.00 N flip ATOM 0 H ASN A 53 -13.236 2.878 -10.040 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.160 2.696 -7.818 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.054 0.452 -9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.839 0.184 -7.993 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.688 -0.655 -10.734 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.327 -0.013 -10.884 1.00 0.00 H new ATOM 794 N ARG A 54 -13.408 1.886 -6.224 1.00 0.00 N ATOM 795 CA ARG A 54 -12.393 1.731 -5.222 1.00 0.00 C ATOM 796 C ARG A 54 -11.805 0.337 -5.206 1.00 0.00 C ATOM 797 O ARG A 54 -12.394 -0.611 -4.663 1.00 0.00 O ATOM 798 CB ARG A 54 -12.943 2.122 -3.859 1.00 0.00 C ATOM 799 CG ARG A 54 -13.033 3.619 -3.685 1.00 0.00 C ATOM 800 CD ARG A 54 -13.823 4.022 -2.465 1.00 0.00 C ATOM 801 NE ARG A 54 -15.266 3.878 -2.674 1.00 0.00 N ATOM 802 CZ ARG A 54 -16.183 4.783 -2.286 1.00 0.00 C ATOM 803 NH1 ARG A 54 -15.797 5.902 -1.642 1.00 0.00 N ATOM 804 NH2 ARG A 54 -17.465 4.572 -2.535 1.00 0.00 N ATOM 0 H ARG A 54 -14.358 1.809 -5.860 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.572 2.402 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.932 1.683 -3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.305 1.706 -3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.027 4.032 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.494 4.056 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.517 3.410 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.595 5.057 -2.211 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.597 3.036 -3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.809 6.064 -1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.493 6.587 -1.348 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.757 3.724 -3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.161 5.257 -2.241 1.00 0.00 H new ATOM 818 N THR A 55 -10.686 0.200 -5.856 1.00 0.00 N ATOM 819 CA THR A 55 -9.949 -1.026 -5.854 1.00 0.00 C ATOM 820 C THR A 55 -9.249 -1.134 -4.508 1.00 0.00 C ATOM 821 O THR A 55 -8.575 -0.178 -4.093 1.00 0.00 O ATOM 822 CB THR A 55 -8.890 -0.988 -6.953 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.448 -0.342 -8.118 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.483 -2.404 -7.327 1.00 0.00 C ATOM 0 H THR A 55 -10.257 0.944 -6.407 1.00 0.00 H new ATOM 0 HA THR A 55 -10.615 -1.872 -6.025 1.00 0.00 H new ATOM 0 HB THR A 55 -8.018 -0.441 -6.596 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.024 0.533 -8.241 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.727 -2.370 -8.112 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.075 -2.908 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.355 -2.950 -7.687 1.00 0.00 H new ATOM 832 N VAL A 56 -9.426 -2.249 -3.813 1.00 0.00 N ATOM 833 CA VAL A 56 -8.837 -2.386 -2.509 1.00 0.00 C ATOM 834 C VAL A 56 -7.415 -2.305 -2.237 1.00 0.00 C ATOM 835 O VAL A 56 -7.014 -1.325 -1.655 1.00 0.00 O ATOM 836 CB VAL A 56 -9.675 -2.394 -1.239 1.00 0.00 C ATOM 837 CG1 VAL A 56 -10.295 -1.055 -0.991 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.656 -3.512 -1.209 1.00 0.00 C ATOM 0 H VAL A 56 -9.965 -3.054 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.955 -3.237 -3.180 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.001 -2.585 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.888 -1.092 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.511 -0.305 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.939 -0.791 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.227 -3.470 -0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.335 -3.423 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.126 -4.463 -1.266 1.00 0.00 H new ATOM 848 N PRO A 57 -6.560 -3.253 -2.606 1.00 0.00 N ATOM 849 CA PRO A 57 -5.251 -3.158 -2.117 1.00 0.00 C ATOM 850 C PRO A 57 -4.374 -2.133 -2.903 1.00 0.00 C ATOM 851 O PRO A 57 -3.603 -2.484 -3.819 1.00 0.00 O ATOM 852 CB PRO A 57 -4.715 -4.564 -2.167 1.00 0.00 C ATOM 853 CG PRO A 57 -5.390 -5.142 -3.377 1.00 0.00 C ATOM 854 CD PRO A 57 -6.744 -4.446 -3.472 1.00 0.00 C ATOM 0 HA PRO A 57 -5.232 -2.762 -1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.630 -4.578 -2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.961 -5.122 -1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.798 -4.968 -4.275 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.511 -6.221 -3.279 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.985 -4.168 -4.498 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.553 -5.084 -3.116 1.00 0.00 H new ATOM 862 N THR A 58 -4.567 -0.896 -2.584 1.00 0.00 N ATOM 863 CA THR A 58 -3.866 0.184 -3.176 1.00 0.00 C ATOM 864 C THR A 58 -2.884 0.740 -2.141 1.00 0.00 C ATOM 865 O THR A 58 -3.278 1.138 -1.028 1.00 0.00 O ATOM 866 CB THR A 58 -4.881 1.264 -3.625 1.00 0.00 C ATOM 867 OG1 THR A 58 -5.896 0.646 -4.450 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.214 2.356 -4.441 1.00 0.00 C ATOM 0 H THR A 58 -5.243 -0.604 -1.878 1.00 0.00 H new ATOM 0 HA THR A 58 -3.310 -0.142 -4.055 1.00 0.00 H new ATOM 0 HB THR A 58 -5.312 1.708 -2.728 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.715 0.525 -3.925 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.959 3.095 -4.737 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.443 2.839 -3.841 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.761 1.920 -5.331 1.00 0.00 H new ATOM 876 N VAL A 59 -1.624 0.721 -2.484 1.00 0.00 N ATOM 877 CA VAL A 59 -0.584 1.155 -1.587 1.00 0.00 C ATOM 878 C VAL A 59 -0.195 2.598 -1.907 1.00 0.00 C ATOM 879 O VAL A 59 -0.205 3.011 -3.072 1.00 0.00 O ATOM 880 CB VAL A 59 0.667 0.220 -1.678 1.00 0.00 C ATOM 881 CG1 VAL A 59 1.266 0.239 -3.054 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.708 0.566 -0.629 1.00 0.00 C ATOM 0 H VAL A 59 -1.288 0.404 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.965 1.103 -0.567 1.00 0.00 H new ATOM 0 HB VAL A 59 0.322 -0.794 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.133 -0.421 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.526 -0.103 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.575 1.254 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.560 -0.106 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.039 1.595 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.273 0.459 0.365 1.00 0.00 H new ATOM 892 N LYS A 60 0.110 3.344 -0.893 1.00 0.00 N ATOM 893 CA LYS A 60 0.505 4.708 -1.018 1.00 0.00 C ATOM 894 C LYS A 60 1.894 4.857 -0.416 1.00 0.00 C ATOM 895 O LYS A 60 2.150 4.407 0.711 1.00 0.00 O ATOM 896 CB LYS A 60 -0.497 5.594 -0.270 1.00 0.00 C ATOM 897 CG LYS A 60 -0.251 7.090 -0.363 1.00 0.00 C ATOM 898 CD LYS A 60 -0.368 7.583 -1.783 1.00 0.00 C ATOM 899 CE LYS A 60 -0.247 9.082 -1.860 1.00 0.00 C ATOM 900 NZ LYS A 60 -0.359 9.565 -3.251 1.00 0.00 N ATOM 0 H LYS A 60 0.090 3.010 0.071 1.00 0.00 H new ATOM 0 HA LYS A 60 0.524 5.011 -2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.496 5.384 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.492 5.308 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.968 7.617 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.742 7.321 0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.409 7.123 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.327 7.273 -2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.025 9.542 -1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.711 9.392 -1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.579 9.852 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.731 8.804 -3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.004 10.380 -3.285 1.00 0.00 H new ATOM 914 N PHE A 61 2.783 5.432 -1.166 1.00 0.00 N ATOM 915 CA PHE A 61 4.126 5.658 -0.719 1.00 0.00 C ATOM 916 C PHE A 61 4.279 7.130 -0.361 1.00 0.00 C ATOM 917 O PHE A 61 3.635 7.995 -0.980 1.00 0.00 O ATOM 918 CB PHE A 61 5.135 5.266 -1.819 1.00 0.00 C ATOM 919 CG PHE A 61 5.094 3.805 -2.233 1.00 0.00 C ATOM 920 CD1 PHE A 61 4.229 3.359 -3.228 1.00 0.00 C ATOM 921 CD2 PHE A 61 5.924 2.879 -1.629 1.00 0.00 C ATOM 922 CE1 PHE A 61 4.204 2.021 -3.591 1.00 0.00 C ATOM 923 CE2 PHE A 61 5.894 1.552 -1.995 1.00 0.00 C ATOM 924 CZ PHE A 61 5.035 1.122 -2.971 1.00 0.00 C ATOM 0 H PHE A 61 2.597 5.761 -2.113 1.00 0.00 H new ATOM 0 HA PHE A 61 4.329 5.042 0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.950 5.883 -2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.140 5.502 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.572 4.060 -3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.607 3.202 -0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.529 1.685 -4.364 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.552 0.846 -1.510 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.012 0.079 -3.252 1.00 0.00 H new ATOM 934 N ALA A 62 5.143 7.426 0.609 1.00 0.00 N ATOM 935 CA ALA A 62 5.392 8.811 1.069 1.00 0.00 C ATOM 936 C ALA A 62 6.058 9.657 -0.024 1.00 0.00 C ATOM 937 O ALA A 62 6.125 10.882 0.064 1.00 0.00 O ATOM 938 CB ALA A 62 6.250 8.801 2.326 1.00 0.00 C ATOM 0 H ALA A 62 5.693 6.723 1.103 1.00 0.00 H new ATOM 0 HA ALA A 62 4.428 9.265 1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.426 9.825 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.735 8.251 3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.204 8.320 2.111 1.00 0.00 H new ATOM 944 N ASP A 63 6.512 8.981 -1.058 1.00 0.00 N ATOM 945 CA ASP A 63 7.151 9.594 -2.222 1.00 0.00 C ATOM 946 C ASP A 63 6.097 10.268 -3.106 1.00 0.00 C ATOM 947 O ASP A 63 6.415 11.095 -3.964 1.00 0.00 O ATOM 948 CB ASP A 63 7.894 8.500 -2.983 1.00 0.00 C ATOM 949 CG ASP A 63 8.651 8.939 -4.219 1.00 0.00 C ATOM 950 OD1 ASP A 63 9.610 9.716 -4.104 1.00 0.00 O ATOM 951 OD2 ASP A 63 8.364 8.414 -5.311 1.00 0.00 O ATOM 0 H ASP A 63 6.449 7.965 -1.122 1.00 0.00 H new ATOM 0 HA ASP A 63 7.857 10.364 -1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.599 8.026 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.173 7.737 -3.276 1.00 0.00 H new ATOM 956 N GLY A 64 4.836 9.937 -2.846 1.00 0.00 N ATOM 957 CA GLY A 64 3.727 10.507 -3.574 1.00 0.00 C ATOM 958 C GLY A 64 3.070 9.496 -4.468 1.00 0.00 C ATOM 959 O GLY A 64 1.885 9.612 -4.799 1.00 0.00 O ATOM 0 H GLY A 64 4.563 9.268 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.994 10.901 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.078 11.348 -4.172 1.00 0.00 H new ATOM 963 N SER A 65 3.800 8.481 -4.792 1.00 0.00 N ATOM 964 CA SER A 65 3.360 7.437 -5.660 1.00 0.00 C ATOM 965 C SER A 65 2.286 6.559 -5.001 1.00 0.00 C ATOM 966 O SER A 65 2.354 6.256 -3.798 1.00 0.00 O ATOM 967 CB SER A 65 4.590 6.629 -6.020 1.00 0.00 C ATOM 968 OG SER A 65 5.404 6.467 -4.861 1.00 0.00 O ATOM 0 H SER A 65 4.752 8.350 -4.449 1.00 0.00 H new ATOM 0 HA SER A 65 2.891 7.853 -6.551 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.297 5.655 -6.412 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.153 7.133 -6.806 1.00 0.00 H new ATOM 0 HG SER A 65 6.200 5.943 -5.091 1.00 0.00 H new ATOM 974 N THR A 66 1.277 6.212 -5.757 1.00 0.00 N ATOM 975 CA THR A 66 0.278 5.302 -5.288 1.00 0.00 C ATOM 976 C THR A 66 0.238 4.160 -6.303 1.00 0.00 C ATOM 977 O THR A 66 0.309 4.411 -7.517 1.00 0.00 O ATOM 978 CB THR A 66 -1.105 5.999 -5.254 1.00 0.00 C ATOM 979 OG1 THR A 66 -0.921 7.404 -4.994 1.00 0.00 O ATOM 980 CG2 THR A 66 -1.966 5.421 -4.139 1.00 0.00 C ATOM 0 H THR A 66 1.130 6.552 -6.707 1.00 0.00 H new ATOM 0 HA THR A 66 0.507 4.950 -4.282 1.00 0.00 H new ATOM 0 HB THR A 66 -1.596 5.842 -6.215 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.793 7.850 -4.973 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.934 5.922 -4.130 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.112 4.354 -4.308 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.470 5.572 -3.180 1.00 0.00 H new ATOM 988 N LEU A 67 0.140 2.947 -5.844 1.00 0.00 N ATOM 989 CA LEU A 67 0.121 1.788 -6.724 1.00 0.00 C ATOM 990 C LEU A 67 -1.045 0.887 -6.391 1.00 0.00 C ATOM 991 O LEU A 67 -1.158 0.384 -5.265 1.00 0.00 O ATOM 992 CB LEU A 67 1.454 0.984 -6.671 1.00 0.00 C ATOM 993 CG LEU A 67 2.603 1.385 -7.643 1.00 0.00 C ATOM 994 CD1 LEU A 67 3.111 2.810 -7.441 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.750 0.392 -7.546 1.00 0.00 C ATOM 0 H LEU A 67 0.070 2.720 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 67 0.006 2.162 -7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.841 1.051 -5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.216 -0.064 -6.853 1.00 0.00 H new ATOM 0 HG LEU A 67 2.176 1.357 -8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.910 3.016 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.294 3.514 -7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.493 2.920 -6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.545 0.686 -8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.136 0.380 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.393 -0.603 -7.810 1.00 0.00 H new ATOM 1007 N THR A 68 -1.907 0.694 -7.341 1.00 0.00 N ATOM 1008 CA THR A 68 -3.048 -0.148 -7.164 1.00 0.00 C ATOM 1009 C THR A 68 -2.702 -1.573 -7.567 1.00 0.00 C ATOM 1010 O THR A 68 -2.443 -1.836 -8.744 1.00 0.00 O ATOM 1011 CB THR A 68 -4.220 0.336 -8.029 1.00 0.00 C ATOM 1012 OG1 THR A 68 -4.486 1.728 -7.763 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.464 -0.474 -7.737 1.00 0.00 C ATOM 0 H THR A 68 -1.838 1.119 -8.266 1.00 0.00 H new ATOM 0 HA THR A 68 -3.337 -0.112 -6.114 1.00 0.00 H new ATOM 0 HB THR A 68 -3.949 0.208 -9.077 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.453 1.868 -7.689 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.285 -0.117 -8.359 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.274 -1.525 -7.955 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.731 -0.364 -6.686 1.00 0.00 H new ATOM 1021 N ASN A 69 -2.681 -2.462 -6.584 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.428 -3.896 -6.787 1.00 0.00 C ATOM 1023 C ASN A 69 -1.094 -4.201 -7.508 1.00 0.00 C ATOM 1024 O ASN A 69 -1.065 -4.461 -8.712 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.621 -4.563 -7.499 1.00 0.00 C ATOM 1026 CG ASN A 69 -3.442 -6.042 -7.805 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -2.750 -6.778 -7.091 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -4.054 -6.479 -8.871 1.00 0.00 N ATOM 0 H ASN A 69 -2.840 -2.212 -5.608 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.323 -4.331 -5.793 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.509 -4.441 -6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.809 -4.034 -8.433 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.971 -7.459 -9.141 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.616 -5.841 -9.434 1.00 0.00 H new ATOM 1035 N PRO A 70 0.032 -4.057 -6.812 1.00 0.00 N ATOM 1036 CA PRO A 70 1.318 -4.471 -7.323 1.00 0.00 C ATOM 1037 C PRO A 70 1.764 -5.795 -6.664 1.00 0.00 C ATOM 1038 O PRO A 70 1.107 -6.293 -5.727 1.00 0.00 O ATOM 1039 CB PRO A 70 2.198 -3.326 -6.849 1.00 0.00 C ATOM 1040 CG PRO A 70 1.633 -2.960 -5.504 1.00 0.00 C ATOM 1041 CD PRO A 70 0.175 -3.385 -5.507 1.00 0.00 C ATOM 0 HA PRO A 70 1.340 -4.651 -8.398 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.242 -3.631 -6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.161 -2.483 -7.539 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.180 -3.462 -4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.722 -1.888 -5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.052 -4.057 -4.679 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.495 -2.530 -5.417 1.00 0.00 H new ATOM 1049 N SER A 71 2.832 -6.375 -7.137 1.00 0.00 N ATOM 1050 CA SER A 71 3.359 -7.545 -6.490 1.00 0.00 C ATOM 1051 C SER A 71 4.273 -7.076 -5.346 1.00 0.00 C ATOM 1052 O SER A 71 4.657 -5.894 -5.298 1.00 0.00 O ATOM 1053 CB SER A 71 4.124 -8.423 -7.493 1.00 0.00 C ATOM 1054 OG SER A 71 4.463 -9.687 -6.931 1.00 0.00 O ATOM 0 H SER A 71 3.350 -6.062 -7.958 1.00 0.00 H new ATOM 0 HA SER A 71 2.550 -8.156 -6.090 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.516 -8.572 -8.385 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.032 -7.909 -7.809 1.00 0.00 H new ATOM 0 HG SER A 71 5.403 -9.889 -7.122 1.00 0.00 H new ATOM 1060 N ALA A 72 4.621 -7.974 -4.441 1.00 0.00 N ATOM 1061 CA ALA A 72 5.477 -7.644 -3.294 1.00 0.00 C ATOM 1062 C ALA A 72 6.841 -7.145 -3.745 1.00 0.00 C ATOM 1063 O ALA A 72 7.440 -6.280 -3.109 1.00 0.00 O ATOM 1064 CB ALA A 72 5.643 -8.853 -2.417 1.00 0.00 C ATOM 0 H ALA A 72 4.325 -8.950 -4.472 1.00 0.00 H new ATOM 0 HA ALA A 72 4.993 -6.845 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.279 -8.602 -1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.667 -9.177 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.104 -9.658 -2.990 1.00 0.00 H new ATOM 1070 N ASP A 73 7.290 -7.680 -4.873 1.00 0.00 N ATOM 1071 CA ASP A 73 8.584 -7.353 -5.497 1.00 0.00 C ATOM 1072 C ASP A 73 8.660 -5.867 -5.751 1.00 0.00 C ATOM 1073 O ASP A 73 9.691 -5.225 -5.546 1.00 0.00 O ATOM 1074 CB ASP A 73 8.684 -8.037 -6.868 1.00 0.00 C ATOM 1075 CG ASP A 73 8.255 -9.470 -6.856 1.00 0.00 C ATOM 1076 OD1 ASP A 73 7.035 -9.721 -6.919 1.00 0.00 O ATOM 1077 OD2 ASP A 73 9.094 -10.359 -6.762 1.00 0.00 O ATOM 0 H ASP A 73 6.757 -8.372 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 73 9.381 -7.684 -4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.071 -7.489 -7.583 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.714 -7.978 -7.220 1.00 0.00 H new ATOM 1082 N GLU A 74 7.543 -5.334 -6.194 1.00 0.00 N ATOM 1083 CA GLU A 74 7.420 -3.944 -6.567 1.00 0.00 C ATOM 1084 C GLU A 74 7.518 -3.082 -5.342 1.00 0.00 C ATOM 1085 O GLU A 74 8.362 -2.199 -5.255 1.00 0.00 O ATOM 1086 CB GLU A 74 6.071 -3.715 -7.239 1.00 0.00 C ATOM 1087 CG GLU A 74 5.774 -4.671 -8.379 1.00 0.00 C ATOM 1088 CD GLU A 74 6.840 -4.677 -9.440 1.00 0.00 C ATOM 1089 OE1 GLU A 74 6.821 -3.801 -10.322 1.00 0.00 O ATOM 1090 OE2 GLU A 74 7.714 -5.563 -9.415 1.00 0.00 O ATOM 0 H GLU A 74 6.679 -5.865 -6.307 1.00 0.00 H new ATOM 0 HA GLU A 74 8.222 -3.684 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.284 -3.805 -6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.035 -2.693 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.662 -5.679 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.821 -4.400 -8.833 1.00 0.00 H new ATOM 1097 N VAL A 75 6.694 -3.399 -4.375 1.00 0.00 N ATOM 1098 CA VAL A 75 6.596 -2.640 -3.146 1.00 0.00 C ATOM 1099 C VAL A 75 7.920 -2.645 -2.390 1.00 0.00 C ATOM 1100 O VAL A 75 8.352 -1.627 -1.891 1.00 0.00 O ATOM 1101 CB VAL A 75 5.474 -3.197 -2.241 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.327 -2.367 -0.978 1.00 0.00 C ATOM 1103 CG2 VAL A 75 4.158 -3.249 -2.997 1.00 0.00 C ATOM 0 H VAL A 75 6.064 -4.200 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 75 6.353 -1.612 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 75 5.750 -4.210 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.530 -2.782 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.264 -2.383 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.081 -1.339 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.379 -3.644 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.885 -2.245 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.264 -3.896 -3.868 1.00 0.00 H new ATOM 1113 N LYS A 76 8.569 -3.783 -2.367 1.00 0.00 N ATOM 1114 CA LYS A 76 9.821 -3.958 -1.652 1.00 0.00 C ATOM 1115 C LYS A 76 10.939 -3.077 -2.243 1.00 0.00 C ATOM 1116 O LYS A 76 11.755 -2.510 -1.509 1.00 0.00 O ATOM 1117 CB LYS A 76 10.198 -5.433 -1.693 1.00 0.00 C ATOM 1118 CG LYS A 76 11.393 -5.831 -0.862 1.00 0.00 C ATOM 1119 CD LYS A 76 11.607 -7.319 -0.971 1.00 0.00 C ATOM 1120 CE LYS A 76 12.740 -7.800 -0.101 1.00 0.00 C ATOM 1121 NZ LYS A 76 12.882 -9.264 -0.190 1.00 0.00 N ATOM 0 H LYS A 76 8.246 -4.624 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 76 9.694 -3.641 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.339 -6.017 -1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.392 -5.710 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.281 -5.299 -1.204 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.235 -5.551 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.690 -7.837 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.814 -7.579 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.669 -7.320 -0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.559 -7.510 0.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.548 -9.593 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.956 -9.712 -0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.242 -9.521 -1.131 1.00 0.00 H new ATOM 1135 N ALA A 77 10.952 -2.944 -3.552 1.00 0.00 N ATOM 1136 CA ALA A 77 11.962 -2.132 -4.225 1.00 0.00 C ATOM 1137 C ALA A 77 11.576 -0.654 -4.207 1.00 0.00 C ATOM 1138 O ALA A 77 12.429 0.224 -4.341 1.00 0.00 O ATOM 1139 CB ALA A 77 12.170 -2.620 -5.653 1.00 0.00 C ATOM 0 H ALA A 77 10.278 -3.385 -4.178 1.00 0.00 H new ATOM 0 HA ALA A 77 12.902 -2.238 -3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.926 -2.005 -6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.502 -3.658 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.232 -2.547 -6.203 1.00 0.00 H new ATOM 1145 N LYS A 78 10.307 -0.373 -4.052 1.00 0.00 N ATOM 1146 CA LYS A 78 9.878 1.001 -3.966 1.00 0.00 C ATOM 1147 C LYS A 78 10.011 1.511 -2.543 1.00 0.00 C ATOM 1148 O LYS A 78 10.391 2.648 -2.331 1.00 0.00 O ATOM 1149 CB LYS A 78 8.462 1.207 -4.511 1.00 0.00 C ATOM 1150 CG LYS A 78 8.303 0.842 -5.983 1.00 0.00 C ATOM 1151 CD LYS A 78 9.225 1.658 -6.885 1.00 0.00 C ATOM 1152 CE LYS A 78 9.109 1.200 -8.327 1.00 0.00 C ATOM 1153 NZ LYS A 78 10.018 1.934 -9.224 1.00 0.00 N ATOM 0 H LYS A 78 9.562 -1.066 -3.983 1.00 0.00 H new ATOM 0 HA LYS A 78 10.537 1.590 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.767 0.609 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.180 2.251 -4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.514 -0.219 -6.117 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.268 1.002 -6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.970 2.715 -6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.256 1.555 -6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.328 0.134 -8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.082 1.334 -8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.902 1.586 -10.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.794 2.949 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.001 1.786 -8.919 1.00 0.00 H new ATOM 1167 N LEU A 79 9.748 0.639 -1.576 1.00 0.00 N ATOM 1168 CA LEU A 79 9.841 0.971 -0.147 1.00 0.00 C ATOM 1169 C LEU A 79 11.233 1.504 0.164 1.00 0.00 C ATOM 1170 O LEU A 79 11.395 2.545 0.800 1.00 0.00 O ATOM 1171 CB LEU A 79 9.585 -0.281 0.720 1.00 0.00 C ATOM 1172 CG LEU A 79 9.504 -0.082 2.246 1.00 0.00 C ATOM 1173 CD1 LEU A 79 8.248 0.688 2.666 1.00 0.00 C ATOM 1174 CD2 LEU A 79 9.582 -1.418 2.959 1.00 0.00 C ATOM 0 H LEU A 79 9.463 -0.324 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 79 9.088 1.726 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.651 -0.734 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.378 -1.000 0.516 1.00 0.00 H new ATOM 0 HG LEU A 79 10.360 0.525 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.237 0.802 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.251 1.672 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.361 0.138 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.523 -1.260 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.753 -2.050 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.526 -1.906 2.715 1.00 0.00 H new ATOM 1186 N VAL A 80 12.223 0.806 -0.337 1.00 0.00 N ATOM 1187 CA VAL A 80 13.601 1.163 -0.111 1.00 0.00 C ATOM 1188 C VAL A 80 13.970 2.531 -0.710 1.00 0.00 C ATOM 1189 O VAL A 80 14.633 3.334 -0.054 1.00 0.00 O ATOM 1190 CB VAL A 80 14.583 0.041 -0.561 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.395 -1.199 0.287 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.401 -0.305 -2.018 1.00 0.00 C ATOM 0 H VAL A 80 12.095 -0.026 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 80 13.712 1.265 0.969 1.00 0.00 H new ATOM 0 HB VAL A 80 15.596 0.421 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.089 -1.973 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.588 -0.958 1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.372 -1.560 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.103 -1.091 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.382 -0.653 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.587 0.579 -2.628 1.00 0.00 H new ATOM 1202 N LYS A 81 13.482 2.831 -1.908 1.00 0.00 N ATOM 1203 CA LYS A 81 13.831 4.094 -2.559 1.00 0.00 C ATOM 1204 C LYS A 81 13.056 5.268 -1.966 1.00 0.00 C ATOM 1205 O LYS A 81 13.496 6.407 -2.039 1.00 0.00 O ATOM 1206 CB LYS A 81 13.682 4.005 -4.110 1.00 0.00 C ATOM 1207 CG LYS A 81 12.262 3.744 -4.646 1.00 0.00 C ATOM 1208 CD LYS A 81 11.393 5.001 -4.770 1.00 0.00 C ATOM 1209 CE LYS A 81 11.909 5.987 -5.814 1.00 0.00 C ATOM 1210 NZ LYS A 81 10.985 7.140 -5.984 1.00 0.00 N ATOM 0 H LYS A 81 12.854 2.231 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 81 14.885 4.283 -2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.045 4.937 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.335 3.211 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.337 3.271 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.762 3.035 -3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.375 4.708 -5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.345 5.499 -3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.893 6.350 -5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.032 5.475 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.705 7.216 -6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.139 6.996 -5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.465 8.015 -5.692 1.00 0.00 H new ATOM 1224 N ILE A 82 11.905 4.991 -1.374 1.00 0.00 N ATOM 1225 CA ILE A 82 11.119 6.054 -0.788 1.00 0.00 C ATOM 1226 C ILE A 82 11.620 6.375 0.611 1.00 0.00 C ATOM 1227 O ILE A 82 11.449 7.491 1.109 1.00 0.00 O ATOM 1228 CB ILE A 82 9.563 5.784 -0.855 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.074 4.609 0.030 1.00 0.00 C ATOM 1230 CG2 ILE A 82 9.166 5.514 -2.296 1.00 0.00 C ATOM 1231 CD1 ILE A 82 8.896 4.921 1.511 1.00 0.00 C ATOM 0 H ILE A 82 11.504 4.057 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 82 11.262 6.947 -1.396 1.00 0.00 H new ATOM 0 HB ILE A 82 9.085 6.681 -0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.121 4.255 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.784 3.787 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.093 5.327 -2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.414 6.380 -2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.705 4.641 -2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.551 4.028 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.849 5.242 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.160 5.717 1.629 1.00 0.00 H new ATOM 1243 N ALA A 83 12.245 5.386 1.240 1.00 0.00 N ATOM 1244 CA ALA A 83 12.851 5.568 2.542 1.00 0.00 C ATOM 1245 C ALA A 83 14.151 6.343 2.392 1.00 0.00 C ATOM 1246 O ALA A 83 14.573 7.057 3.299 1.00 0.00 O ATOM 1247 CB ALA A 83 13.104 4.223 3.211 1.00 0.00 C ATOM 0 H ALA A 83 12.342 4.444 0.860 1.00 0.00 H new ATOM 0 HA ALA A 83 12.168 6.134 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.560 4.383 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.159 3.694 3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.775 3.629 2.591 1.00 0.00 H new ATOM 1253 N GLY A 84 14.769 6.199 1.246 1.00 0.00 N ATOM 1254 CA GLY A 84 15.978 6.907 0.968 1.00 0.00 C ATOM 1255 C GLY A 84 16.925 6.074 0.165 1.00 0.00 C ATOM 1256 O GLY A 84 16.573 5.577 -0.905 1.00 0.00 O ATOM 0 H GLY A 84 14.447 5.593 0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.748 7.824 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.453 7.201 1.904 1.00 0.00 H new ATOM 1260 N LEU A 85 18.099 5.879 0.696 1.00 0.00 N ATOM 1261 CA LEU A 85 19.155 5.117 0.048 1.00 0.00 C ATOM 1262 C LEU A 85 19.616 4.087 1.043 1.00 0.00 C ATOM 1263 O LEU A 85 20.766 3.636 1.043 1.00 0.00 O ATOM 1264 CB LEU A 85 20.309 6.058 -0.319 1.00 0.00 C ATOM 1265 CG LEU A 85 19.967 7.183 -1.302 1.00 0.00 C ATOM 1266 CD1 LEU A 85 21.161 8.095 -1.507 1.00 0.00 C ATOM 1267 CD2 LEU A 85 19.503 6.606 -2.634 1.00 0.00 C ATOM 0 H LEU A 85 18.364 6.248 1.609 1.00 0.00 H new ATOM 0 HA LEU A 85 18.804 4.639 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 85 20.692 6.506 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 85 21.117 5.463 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 85 19.154 7.772 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.898 8.887 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 85 21.450 8.536 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 85 21.995 7.518 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 85 19.264 7.419 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 85 20.296 5.992 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 85 18.616 5.993 -2.476 1.00 0.00 H new ATOM 1279 N GLU A 86 18.670 3.707 1.859 1.00 0.00 N ATOM 1280 CA GLU A 86 18.875 2.851 2.990 1.00 0.00 C ATOM 1281 C GLU A 86 18.973 1.403 2.528 1.00 0.00 C ATOM 1282 O GLU A 86 19.988 0.742 2.738 1.00 0.00 O ATOM 1283 CB GLU A 86 17.689 3.003 3.954 1.00 0.00 C ATOM 1284 CG GLU A 86 17.152 4.435 4.106 1.00 0.00 C ATOM 1285 CD GLU A 86 18.211 5.457 4.446 1.00 0.00 C ATOM 1286 OE1 GLU A 86 18.612 5.554 5.629 1.00 0.00 O ATOM 1287 OE2 GLU A 86 18.665 6.187 3.531 1.00 0.00 O ATOM 0 H GLU A 86 17.699 3.998 1.747 1.00 0.00 H new ATOM 0 HA GLU A 86 19.800 3.128 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.877 2.362 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.990 2.638 4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.663 4.729 3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.389 4.445 4.885 1.00 0.00 H new ATOM 1294 N HIS A 87 17.928 0.960 1.846 1.00 0.00 N ATOM 1295 CA HIS A 87 17.783 -0.400 1.333 1.00 0.00 C ATOM 1296 C HIS A 87 17.866 -1.440 2.461 1.00 0.00 C ATOM 1297 O HIS A 87 18.924 -2.016 2.728 1.00 0.00 O ATOM 1298 CB HIS A 87 18.796 -0.692 0.190 1.00 0.00 C ATOM 1299 CG HIS A 87 18.532 -1.949 -0.602 1.00 0.00 C ATOM 1300 ND1 HIS A 87 18.048 -1.948 -1.892 1.00 0.00 N ATOM 1301 CD2 HIS A 87 18.720 -3.254 -0.280 1.00 0.00 C ATOM 1302 CE1 HIS A 87 17.955 -3.208 -2.306 1.00 0.00 C ATOM 1303 NE2 HIS A 87 18.354 -4.050 -1.363 1.00 0.00 N ATOM 0 H HIS A 87 17.129 1.555 1.625 1.00 0.00 H new ATOM 0 HA HIS A 87 16.786 -0.482 0.899 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.799 0.155 -0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 87 19.795 -0.757 0.621 1.00 0.00 H new ATOM 0 HD2 HIS A 87 19.094 -3.618 0.666 1.00 0.00 H new ATOM 0 HE1 HIS A 87 17.601 -3.506 -3.282 1.00 0.00 H new ATOM 0 HE2 HIS A 87 18.386 -5.068 -1.419 1.00 0.00 H new ATOM 1311 N HIS A 88 16.777 -1.616 3.164 1.00 0.00 N ATOM 1312 CA HIS A 88 16.713 -2.600 4.223 1.00 0.00 C ATOM 1313 C HIS A 88 15.712 -3.666 3.842 1.00 0.00 C ATOM 1314 O HIS A 88 16.113 -4.714 3.289 1.00 0.00 O ATOM 1315 CB HIS A 88 16.318 -1.969 5.578 1.00 0.00 C ATOM 1316 CG HIS A 88 17.247 -0.899 6.079 1.00 0.00 C ATOM 1317 ND1 HIS A 88 18.570 -0.949 6.367 1.00 0.00 N flip ATOM 1318 CD2 HIS A 88 16.843 0.380 6.392 1.00 0.00 C flip ATOM 1319 CE1 HIS A 88 18.979 0.288 6.860 1.00 0.00 C flip ATOM 1320 NE2 HIS A 88 17.899 1.050 6.853 1.00 0.00 N flip ATOM 0 H HIS A 88 15.915 -1.089 3.024 1.00 0.00 H new ATOM 0 HA HIS A 88 17.705 -3.035 4.345 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.318 -1.546 5.486 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.262 -2.759 6.327 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.843 0.772 6.283 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.972 0.566 7.181 1.00 0.00 H new ATOM 0 HE2 HIS A 88 17.877 2.022 7.160 1.00 0.00 H new TER 1328 HIS A 88