USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 595 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 24 SER OG : rot 119:sc= 1.11 USER MOD Set 1.2: A 26 SER OG : rot 180:sc= 0.933 USER MOD Single : A 1 CYS N :NH3+ 157:sc= 0.366 (180deg=-0.00782) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.14 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN :FLIP amide:sc= -0.0352 F(o=-1.9!,f=-0.035) USER MOD Single : A 5 LYS NZ :NH3+ -133:sc= -0.0341 (180deg=-1.28) USER MOD Single : A 10 HIS : no HD1:sc= -0.432 K(o=-0.43,f=-0.97) USER MOD Single : A 19 LYS NZ :NH3+ -109:sc= -2.22 (180deg=-3.52!) USER MOD Single : A 20 LYS NZ :NH3+ -102:sc= -1.08 (180deg=-1.86) USER MOD Single : A 22 LYS NZ :NH3+ -114:sc= -1.74 (180deg=-4.01!) USER MOD Single : A 29 SER OG : rot -56:sc= 0.514 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.179 F(o=-2.4!,f=-0.18) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -3.17 X(o=-3.2,f=-3.4!) USER MOD Single : A 46 HIS : no HD1:sc= -2.77! C(o=-2.8!,f=-2.4!) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= -0.0946 (180deg=-0.628) USER MOD Single : A 52 GLN : amide:sc= -0.425 K(o=-0.43,f=-2.7!) USER MOD Single : A 56 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.4) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 61 LYS NZ :NH3+ 170:sc= -3.35 (180deg=-3.63) USER MOD Single : A 68 SER OG : rot 96:sc= 1.14 USER MOD Single : A 70 TYR OH : rot 142:sc= 0.153 USER MOD Single : A 71 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 17.383 13.476 7.537 1.00 0.00 N ATOM 2 CA CYS A 1 17.322 12.046 7.128 1.00 0.00 C ATOM 3 C CYS A 1 15.971 11.456 7.536 1.00 0.00 C ATOM 4 O CYS A 1 15.875 10.308 7.927 1.00 0.00 O ATOM 5 CB CYS A 1 18.450 11.271 7.812 1.00 0.00 C ATOM 6 SG CYS A 1 20.043 11.984 7.334 1.00 0.00 S ATOM 0 H1 CYS A 1 18.377 13.769 7.628 1.00 0.00 H new ATOM 0 H2 CYS A 1 16.913 14.063 6.818 1.00 0.00 H new ATOM 0 H3 CYS A 1 16.902 13.596 8.451 1.00 0.00 H new ATOM 0 HA CYS A 1 17.437 11.971 6.047 1.00 0.00 H new ATOM 0 HB2 CYS A 1 18.330 11.313 8.895 1.00 0.00 H new ATOM 0 HB3 CYS A 1 18.409 10.220 7.527 1.00 0.00 H new ATOM 0 HG CYS A 1 21.004 11.329 7.916 1.00 0.00 H new ATOM 14 N SER A 2 14.923 12.235 7.446 1.00 0.00 N ATOM 15 CA SER A 2 13.564 11.734 7.823 1.00 0.00 C ATOM 16 C SER A 2 12.773 11.409 6.554 1.00 0.00 C ATOM 17 O SER A 2 11.741 10.773 6.603 1.00 0.00 O ATOM 18 CB SER A 2 12.829 12.817 8.613 1.00 0.00 C ATOM 19 OG SER A 2 13.568 13.121 9.790 1.00 0.00 O ATOM 0 H SER A 2 14.950 13.203 7.126 1.00 0.00 H new ATOM 0 HA SER A 2 13.661 10.836 8.433 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.711 13.712 8.002 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.828 12.476 8.876 1.00 0.00 H new ATOM 0 HG SER A 2 13.101 13.816 10.299 1.00 0.00 H new ATOM 25 N ASN A 3 13.248 11.845 5.418 1.00 0.00 N ATOM 26 CA ASN A 3 12.520 11.563 4.148 1.00 0.00 C ATOM 27 C ASN A 3 11.060 11.987 4.296 1.00 0.00 C ATOM 28 O ASN A 3 10.706 12.721 5.198 1.00 0.00 O ATOM 29 CB ASN A 3 12.588 10.065 3.836 1.00 0.00 C ATOM 30 CG ASN A 3 14.033 9.672 3.529 1.00 0.00 C ATOM 31 OD1 ASN A 3 14.952 10.598 3.493 1.00 0.00 O flip ATOM 32 ND2 ASN A 3 14.329 8.513 3.318 1.00 0.00 N flip ATOM 0 H ASN A 3 14.108 12.384 5.315 1.00 0.00 H new ATOM 0 HA ASN A 3 12.982 12.122 3.334 1.00 0.00 H new ATOM 0 HB2 ASN A 3 12.216 9.489 4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.948 9.831 2.985 1.00 0.00 H new ATOM 0 HD21 ASN A 3 13.610 7.790 3.346 1.00 0.00 H new ATOM 0 HD22 ASN A 3 15.296 8.263 3.113 1.00 0.00 H new ATOM 39 N GLU A 4 10.207 11.526 3.414 1.00 0.00 N ATOM 40 CA GLU A 4 8.755 11.886 3.481 1.00 0.00 C ATOM 41 C GLU A 4 7.930 10.607 3.630 1.00 0.00 C ATOM 42 O GLU A 4 6.865 10.605 4.215 1.00 0.00 O ATOM 43 CB GLU A 4 8.353 12.602 2.190 1.00 0.00 C ATOM 44 CG GLU A 4 8.794 11.763 0.988 1.00 0.00 C ATOM 45 CD GLU A 4 8.382 12.462 -0.307 1.00 0.00 C ATOM 46 OE1 GLU A 4 8.206 13.670 -0.278 1.00 0.00 O ATOM 47 OE2 GLU A 4 8.251 11.778 -1.309 1.00 0.00 O ATOM 0 H GLU A 4 10.457 10.909 2.642 1.00 0.00 H new ATOM 0 HA GLU A 4 8.575 12.542 4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.274 12.754 2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.815 13.588 2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.875 11.621 1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.341 10.773 1.038 1.00 0.00 H new ATOM 54 N LYS A 5 8.417 9.515 3.104 1.00 0.00 N ATOM 55 CA LYS A 5 7.666 8.232 3.214 1.00 0.00 C ATOM 56 C LYS A 5 8.560 7.078 2.754 1.00 0.00 C ATOM 57 O LYS A 5 8.502 6.649 1.619 1.00 0.00 O ATOM 58 CB LYS A 5 6.415 8.298 2.333 1.00 0.00 C ATOM 59 CG LYS A 5 5.500 7.094 2.622 1.00 0.00 C ATOM 60 CD LYS A 5 4.641 7.359 3.868 1.00 0.00 C ATOM 61 CE LYS A 5 3.569 6.275 3.981 1.00 0.00 C ATOM 62 NZ LYS A 5 2.792 6.480 5.237 1.00 0.00 N ATOM 0 H LYS A 5 9.303 9.457 2.603 1.00 0.00 H new ATOM 0 HA LYS A 5 7.370 8.069 4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.877 9.227 2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.701 8.303 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.857 6.904 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.103 6.199 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.266 7.363 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.175 8.342 3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.904 6.313 3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.032 5.288 3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.698 5.574 5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.288 7.162 5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.847 6.847 5.005 1.00 0.00 H new ATOM 76 N ALA A 6 9.386 6.568 3.628 1.00 0.00 N ATOM 77 CA ALA A 6 10.281 5.442 3.239 1.00 0.00 C ATOM 78 C ALA A 6 10.996 5.781 1.931 1.00 0.00 C ATOM 79 O ALA A 6 10.847 6.859 1.390 1.00 0.00 O ATOM 80 CB ALA A 6 9.450 4.170 3.051 1.00 0.00 C ATOM 0 H ALA A 6 9.479 6.883 4.594 1.00 0.00 H new ATOM 0 HA ALA A 6 11.020 5.282 4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.105 3.346 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.943 3.925 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.709 4.332 2.268 1.00 0.00 H new ATOM 86 N ARG A 7 11.775 4.861 1.416 1.00 0.00 N ATOM 87 CA ARG A 7 12.509 5.112 0.135 1.00 0.00 C ATOM 88 C ARG A 7 11.771 4.401 -1.005 1.00 0.00 C ATOM 89 O ARG A 7 12.062 4.590 -2.169 1.00 0.00 O ATOM 90 CB ARG A 7 13.938 4.550 0.253 1.00 0.00 C ATOM 91 CG ARG A 7 14.496 4.808 1.672 1.00 0.00 C ATOM 92 CD ARG A 7 16.019 4.998 1.621 1.00 0.00 C ATOM 93 NE ARG A 7 16.625 4.022 0.657 1.00 0.00 N ATOM 94 CZ ARG A 7 16.436 2.736 0.777 1.00 0.00 C ATOM 95 NH1 ARG A 7 15.860 2.248 1.841 1.00 0.00 N ATOM 96 NH2 ARG A 7 16.876 1.928 -0.150 1.00 0.00 N ATOM 0 H ARG A 7 11.935 3.942 1.830 1.00 0.00 H new ATOM 0 HA ARG A 7 12.556 6.182 -0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.935 3.480 0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.583 5.018 -0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.027 5.694 2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.249 3.971 2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 7 16.257 6.017 1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 7 16.445 4.854 2.614 1.00 0.00 H new ATOM 0 HE ARG A 7 17.199 4.371 -0.111 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.554 2.873 2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.716 1.242 1.927 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.365 2.303 -0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.731 0.922 -0.061 1.00 0.00 H new ATOM 110 N ASP A 8 10.830 3.566 -0.662 1.00 0.00 N ATOM 111 CA ASP A 8 10.068 2.810 -1.696 1.00 0.00 C ATOM 112 C ASP A 8 9.050 3.717 -2.400 1.00 0.00 C ATOM 113 O ASP A 8 9.286 4.888 -2.629 1.00 0.00 O ATOM 114 CB ASP A 8 9.332 1.662 -1.008 1.00 0.00 C ATOM 115 CG ASP A 8 10.340 0.811 -0.235 1.00 0.00 C ATOM 116 OD1 ASP A 8 11.486 0.763 -0.650 1.00 0.00 O ATOM 117 OD2 ASP A 8 9.950 0.220 0.759 1.00 0.00 O ATOM 0 H ASP A 8 10.553 3.373 0.301 1.00 0.00 H new ATOM 0 HA ASP A 8 10.762 2.431 -2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.574 2.054 -0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.814 1.051 -1.747 1.00 0.00 H new ATOM 122 N TRP A 9 7.910 3.171 -2.731 1.00 0.00 N ATOM 123 CA TRP A 9 6.846 3.950 -3.422 1.00 0.00 C ATOM 124 C TRP A 9 6.302 5.005 -2.455 1.00 0.00 C ATOM 125 O TRP A 9 5.596 4.694 -1.517 1.00 0.00 O ATOM 126 CB TRP A 9 5.703 2.998 -3.801 1.00 0.00 C ATOM 127 CG TRP A 9 6.153 1.971 -4.813 1.00 0.00 C ATOM 128 CD1 TRP A 9 7.272 1.196 -4.734 1.00 0.00 C ATOM 129 CD2 TRP A 9 5.444 1.519 -6.006 1.00 0.00 C ATOM 130 NE1 TRP A 9 7.327 0.366 -5.838 1.00 0.00 N ATOM 131 CE2 TRP A 9 6.222 0.510 -6.643 1.00 0.00 C ATOM 132 CE3 TRP A 9 4.224 1.899 -6.609 1.00 0.00 C ATOM 133 CZ2 TRP A 9 5.799 -0.103 -7.830 1.00 0.00 C ATOM 134 CZ3 TRP A 9 3.793 1.280 -7.803 1.00 0.00 C ATOM 135 CH2 TRP A 9 4.581 0.280 -8.410 1.00 0.00 C ATOM 0 H TRP A 9 7.669 2.197 -2.547 1.00 0.00 H new ATOM 0 HA TRP A 9 7.251 4.428 -4.314 1.00 0.00 H new ATOM 0 HB2 TRP A 9 5.336 2.494 -2.907 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.870 3.571 -4.208 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.999 1.226 -3.936 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.095 -0.276 -6.032 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.617 2.668 -6.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.407 -0.865 -8.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 2.856 1.574 -8.253 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.246 -0.191 -9.322 1.00 0.00 H new ATOM 146 N HIS A 10 6.614 6.247 -2.682 1.00 0.00 N ATOM 147 CA HIS A 10 6.112 7.321 -1.779 1.00 0.00 C ATOM 148 C HIS A 10 4.613 7.129 -1.526 1.00 0.00 C ATOM 149 O HIS A 10 3.957 6.349 -2.187 1.00 0.00 O ATOM 150 CB HIS A 10 6.351 8.679 -2.437 1.00 0.00 C ATOM 151 CG HIS A 10 7.824 8.848 -2.686 1.00 0.00 C ATOM 152 ND1 HIS A 10 8.769 8.035 -2.079 1.00 0.00 N ATOM 153 CD2 HIS A 10 8.529 9.721 -3.475 1.00 0.00 C ATOM 154 CE1 HIS A 10 9.980 8.433 -2.508 1.00 0.00 C ATOM 155 NE2 HIS A 10 9.891 9.458 -3.362 1.00 0.00 N ATOM 0 H HIS A 10 7.196 6.568 -3.455 1.00 0.00 H new ATOM 0 HA HIS A 10 6.642 7.274 -0.827 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.800 8.745 -3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.983 9.479 -1.794 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.094 10.495 -4.090 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.911 7.980 -2.200 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.657 9.943 -3.830 1.00 0.00 H new ATOM 163 N ARG A 11 4.071 7.830 -0.567 1.00 0.00 N ATOM 164 CA ARG A 11 2.617 7.690 -0.265 1.00 0.00 C ATOM 165 C ARG A 11 1.796 7.918 -1.537 1.00 0.00 C ATOM 166 O ARG A 11 0.806 7.253 -1.775 1.00 0.00 O ATOM 167 CB ARG A 11 2.221 8.729 0.788 1.00 0.00 C ATOM 168 CG ARG A 11 0.733 8.594 1.122 1.00 0.00 C ATOM 169 CD ARG A 11 0.379 9.541 2.272 1.00 0.00 C ATOM 170 NE ARG A 11 -1.098 9.722 2.337 1.00 0.00 N ATOM 171 CZ ARG A 11 -1.646 10.228 3.408 1.00 0.00 C ATOM 172 NH1 ARG A 11 -0.901 10.562 4.427 1.00 0.00 N ATOM 173 NH2 ARG A 11 -2.939 10.398 3.462 1.00 0.00 N ATOM 0 H ARG A 11 4.573 8.495 0.021 1.00 0.00 H new ATOM 0 HA ARG A 11 2.421 6.686 0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.818 8.592 1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.429 9.733 0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.130 8.829 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.504 7.565 1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.747 9.137 3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.867 10.505 2.126 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.681 9.451 1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.109 10.427 4.386 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.329 10.957 5.264 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.522 10.135 2.667 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.367 10.793 4.299 1.00 0.00 H new ATOM 187 N ALA A 12 2.192 8.860 -2.351 1.00 0.00 N ATOM 188 CA ALA A 12 1.431 9.146 -3.604 1.00 0.00 C ATOM 189 C ALA A 12 1.848 8.179 -4.714 1.00 0.00 C ATOM 190 O ALA A 12 1.105 7.950 -5.648 1.00 0.00 O ATOM 191 CB ALA A 12 1.699 10.583 -4.049 1.00 0.00 C ATOM 0 H ALA A 12 3.013 9.447 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 12 0.367 9.016 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.143 10.790 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.380 11.272 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.765 10.713 -4.235 1.00 0.00 H new ATOM 197 N ASP A 13 3.013 7.597 -4.630 1.00 0.00 N ATOM 198 CA ASP A 13 3.420 6.640 -5.697 1.00 0.00 C ATOM 199 C ASP A 13 2.515 5.426 -5.577 1.00 0.00 C ATOM 200 O ASP A 13 2.294 4.693 -6.521 1.00 0.00 O ATOM 201 CB ASP A 13 4.875 6.222 -5.508 1.00 0.00 C ATOM 202 CG ASP A 13 5.790 7.405 -5.826 1.00 0.00 C ATOM 203 OD1 ASP A 13 5.279 8.426 -6.254 1.00 0.00 O ATOM 204 OD2 ASP A 13 6.989 7.269 -5.639 1.00 0.00 O ATOM 0 H ASP A 13 3.691 7.739 -3.881 1.00 0.00 H new ATOM 0 HA ASP A 13 3.329 7.101 -6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.038 5.887 -4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.111 5.381 -6.160 1.00 0.00 H new ATOM 209 N VAL A 14 1.966 5.236 -4.412 1.00 0.00 N ATOM 210 CA VAL A 14 1.043 4.098 -4.191 1.00 0.00 C ATOM 211 C VAL A 14 -0.353 4.485 -4.705 1.00 0.00 C ATOM 212 O VAL A 14 -0.899 3.830 -5.568 1.00 0.00 O ATOM 213 CB VAL A 14 0.986 3.783 -2.694 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.101 2.744 -2.425 1.00 0.00 C ATOM 215 CG2 VAL A 14 2.338 3.230 -2.243 1.00 0.00 C ATOM 0 H VAL A 14 2.121 5.829 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 14 1.393 3.216 -4.727 1.00 0.00 H new ATOM 0 HB VAL A 14 0.757 4.694 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.137 2.523 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.066 3.135 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.124 1.831 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.302 3.004 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.563 2.320 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.115 3.971 -2.431 1.00 0.00 H new ATOM 225 N ILE A 15 -0.929 5.551 -4.197 1.00 0.00 N ATOM 226 CA ILE A 15 -2.287 5.956 -4.678 1.00 0.00 C ATOM 227 C ILE A 15 -2.193 6.328 -6.162 1.00 0.00 C ATOM 228 O ILE A 15 -2.954 5.861 -6.978 1.00 0.00 O ATOM 229 CB ILE A 15 -2.833 7.199 -3.916 1.00 0.00 C ATOM 230 CG1 ILE A 15 -2.473 7.205 -2.404 1.00 0.00 C ATOM 231 CG2 ILE A 15 -4.361 7.234 -4.065 1.00 0.00 C ATOM 232 CD1 ILE A 15 -2.384 5.794 -1.813 1.00 0.00 C ATOM 0 H ILE A 15 -0.522 6.150 -3.479 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.961 5.116 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.363 8.078 -4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.520 7.714 -2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.223 7.777 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.758 8.100 -3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.622 7.303 -5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.789 6.324 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.130 5.858 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.344 5.291 -1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.614 5.228 -2.337 1.00 0.00 H new ATOM 244 N ALA A 16 -1.278 7.190 -6.505 1.00 0.00 N ATOM 245 CA ALA A 16 -1.149 7.611 -7.928 1.00 0.00 C ATOM 246 C ALA A 16 -0.992 6.383 -8.819 1.00 0.00 C ATOM 247 O ALA A 16 -1.770 6.153 -9.719 1.00 0.00 O ATOM 248 CB ALA A 16 0.076 8.510 -8.084 1.00 0.00 C ATOM 0 H ALA A 16 -0.614 7.621 -5.862 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.045 8.158 -8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.171 8.818 -9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.037 9.392 -7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.970 7.962 -7.785 1.00 0.00 H new ATOM 254 N GLY A 17 0.021 5.604 -8.579 1.00 0.00 N ATOM 255 CA GLY A 17 0.263 4.394 -9.413 1.00 0.00 C ATOM 256 C GLY A 17 -0.985 3.506 -9.468 1.00 0.00 C ATOM 257 O GLY A 17 -1.403 3.081 -10.522 1.00 0.00 O ATOM 0 H GLY A 17 0.700 5.754 -7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.545 4.694 -10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.099 3.827 -9.004 1.00 0.00 H new ATOM 261 N LEU A 18 -1.570 3.209 -8.349 1.00 0.00 N ATOM 262 CA LEU A 18 -2.781 2.335 -8.351 1.00 0.00 C ATOM 263 C LEU A 18 -3.953 3.065 -9.014 1.00 0.00 C ATOM 264 O LEU A 18 -4.573 2.571 -9.934 1.00 0.00 O ATOM 265 CB LEU A 18 -3.151 2.007 -6.900 1.00 0.00 C ATOM 266 CG LEU A 18 -2.154 0.995 -6.309 1.00 0.00 C ATOM 267 CD1 LEU A 18 -2.188 1.073 -4.781 1.00 0.00 C ATOM 268 CD2 LEU A 18 -2.537 -0.433 -6.729 1.00 0.00 C ATOM 0 H LEU A 18 -1.267 3.530 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.570 1.421 -8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.151 2.919 -6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.161 1.599 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.157 1.234 -6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.481 0.355 -4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.915 2.079 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.192 0.840 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.824 -1.140 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.538 -0.663 -6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.521 -0.509 -7.816 1.00 0.00 H new ATOM 280 N LYS A 19 -4.268 4.229 -8.530 1.00 0.00 N ATOM 281 CA LYS A 19 -5.411 5.009 -9.085 1.00 0.00 C ATOM 282 C LYS A 19 -5.246 5.241 -10.594 1.00 0.00 C ATOM 283 O LYS A 19 -6.154 5.709 -11.251 1.00 0.00 O ATOM 284 CB LYS A 19 -5.475 6.360 -8.366 1.00 0.00 C ATOM 285 CG LYS A 19 -6.846 7.006 -8.586 1.00 0.00 C ATOM 286 CD LYS A 19 -6.932 8.311 -7.784 1.00 0.00 C ATOM 287 CE LYS A 19 -5.849 9.295 -8.253 1.00 0.00 C ATOM 288 NZ LYS A 19 -4.595 9.051 -7.487 1.00 0.00 N ATOM 0 H LYS A 19 -3.776 4.683 -7.761 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.331 4.445 -8.929 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.295 6.223 -7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.690 7.018 -8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.999 7.208 -9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.636 6.323 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.918 8.758 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.808 8.102 -6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.666 9.171 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.185 10.321 -8.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.433 9.838 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.682 8.163 -6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.793 8.982 -8.146 1.00 0.00 H new ATOM 302 N LYS A 20 -4.112 4.922 -11.163 1.00 0.00 N ATOM 303 CA LYS A 20 -3.956 5.145 -12.632 1.00 0.00 C ATOM 304 C LYS A 20 -5.072 4.391 -13.342 1.00 0.00 C ATOM 305 O LYS A 20 -5.538 4.789 -14.390 1.00 0.00 O ATOM 306 CB LYS A 20 -2.584 4.645 -13.128 1.00 0.00 C ATOM 307 CG LYS A 20 -1.545 5.769 -13.029 1.00 0.00 C ATOM 308 CD LYS A 20 -0.183 5.246 -13.492 1.00 0.00 C ATOM 309 CE LYS A 20 0.858 6.365 -13.385 1.00 0.00 C ATOM 310 NZ LYS A 20 0.829 6.941 -12.012 1.00 0.00 N ATOM 0 H LYS A 20 -3.302 4.525 -10.686 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.014 6.212 -12.847 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.263 3.790 -12.533 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.664 4.303 -14.160 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.850 6.616 -13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.479 6.128 -12.002 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.118 4.395 -12.881 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.248 4.893 -14.521 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.851 5.974 -13.606 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.650 7.141 -14.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.313 7.844 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.352 6.279 -11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.802 7.103 -11.683 1.00 0.00 H new ATOM 324 N ARG A 21 -5.531 3.328 -12.752 1.00 0.00 N ATOM 325 CA ARG A 21 -6.646 2.566 -13.355 1.00 0.00 C ATOM 326 C ARG A 21 -7.912 3.110 -12.709 1.00 0.00 C ATOM 327 O ARG A 21 -8.422 4.144 -13.095 1.00 0.00 O ATOM 328 CB ARG A 21 -6.495 1.079 -13.022 1.00 0.00 C ATOM 329 CG ARG A 21 -5.467 0.441 -13.961 1.00 0.00 C ATOM 330 CD ARG A 21 -5.113 -0.960 -13.455 1.00 0.00 C ATOM 331 NE ARG A 21 -6.345 -1.796 -13.407 1.00 0.00 N ATOM 332 CZ ARG A 21 -6.249 -3.093 -13.290 1.00 0.00 C ATOM 333 NH1 ARG A 21 -5.073 -3.650 -13.192 1.00 0.00 N ATOM 334 NH2 ARG A 21 -7.327 -3.829 -13.264 1.00 0.00 N ATOM 0 H ARG A 21 -5.177 2.954 -11.872 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.667 2.668 -14.440 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.179 0.959 -11.986 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.456 0.575 -13.123 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.869 0.383 -14.972 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.570 1.059 -14.010 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.374 -1.420 -14.111 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.664 -0.898 -12.464 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.263 -1.356 -13.465 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.232 -3.073 -13.207 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.994 -4.663 -13.100 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.245 -3.391 -13.335 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.251 -4.842 -13.173 1.00 0.00 H new ATOM 348 N LYS A 22 -8.398 2.447 -11.704 1.00 0.00 N ATOM 349 CA LYS A 22 -9.601 2.955 -10.990 1.00 0.00 C ATOM 350 C LYS A 22 -9.584 2.394 -9.555 1.00 0.00 C ATOM 351 O LYS A 22 -10.488 1.696 -9.136 1.00 0.00 O ATOM 352 CB LYS A 22 -10.886 2.541 -11.762 1.00 0.00 C ATOM 353 CG LYS A 22 -11.763 3.773 -12.047 1.00 0.00 C ATOM 354 CD LYS A 22 -13.103 3.336 -12.654 1.00 0.00 C ATOM 355 CE LYS A 22 -12.865 2.481 -13.908 1.00 0.00 C ATOM 356 NZ LYS A 22 -12.653 1.063 -13.507 1.00 0.00 N ATOM 0 H LYS A 22 -8.015 1.573 -11.343 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.593 4.044 -10.940 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.614 2.056 -12.699 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.450 1.813 -11.178 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.936 4.327 -11.125 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.247 4.446 -12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.674 2.767 -11.920 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.697 4.213 -12.911 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.720 2.556 -14.580 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.996 2.850 -14.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.677 0.781 -13.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.816 0.963 -12.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.318 0.453 -14.024 1.00 0.00 H new ATOM 370 N LEU A 23 -8.548 2.684 -8.804 1.00 0.00 N ATOM 371 CA LEU A 23 -8.449 2.160 -7.400 1.00 0.00 C ATOM 372 C LEU A 23 -8.330 3.319 -6.413 1.00 0.00 C ATOM 373 O LEU A 23 -7.707 4.325 -6.685 1.00 0.00 O ATOM 374 CB LEU A 23 -7.187 1.309 -7.255 1.00 0.00 C ATOM 375 CG LEU A 23 -7.187 0.129 -8.229 1.00 0.00 C ATOM 376 CD1 LEU A 23 -5.900 -0.670 -8.017 1.00 0.00 C ATOM 377 CD2 LEU A 23 -8.403 -0.776 -7.969 1.00 0.00 C ATOM 0 H LEU A 23 -7.763 3.263 -9.102 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.343 1.571 -7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.308 1.928 -7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.114 0.938 -6.233 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.242 0.497 -9.253 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.880 -1.517 -8.703 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.039 -0.029 -8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.863 -1.034 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.391 -1.612 -8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.362 -1.157 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.320 -0.202 -8.105 1.00 0.00 H new ATOM 389 N SER A 24 -8.910 3.164 -5.255 1.00 0.00 N ATOM 390 CA SER A 24 -8.826 4.226 -4.213 1.00 0.00 C ATOM 391 C SER A 24 -8.907 3.560 -2.837 1.00 0.00 C ATOM 392 O SER A 24 -9.773 2.745 -2.599 1.00 0.00 O ATOM 393 CB SER A 24 -9.993 5.199 -4.380 1.00 0.00 C ATOM 394 OG SER A 24 -11.209 4.463 -4.439 1.00 0.00 O ATOM 0 H SER A 24 -9.444 2.338 -4.983 1.00 0.00 H new ATOM 0 HA SER A 24 -7.889 4.775 -4.310 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.019 5.901 -3.547 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.865 5.787 -5.289 1.00 0.00 H new ATOM 0 HG SER A 24 -11.790 4.731 -3.696 1.00 0.00 H new ATOM 400 N LEU A 25 -8.019 3.880 -1.927 1.00 0.00 N ATOM 401 CA LEU A 25 -8.090 3.231 -0.578 1.00 0.00 C ATOM 402 C LEU A 25 -9.533 3.277 -0.064 1.00 0.00 C ATOM 403 O LEU A 25 -9.901 2.574 0.858 1.00 0.00 O ATOM 404 CB LEU A 25 -7.202 3.969 0.428 1.00 0.00 C ATOM 405 CG LEU A 25 -5.732 3.957 -0.015 1.00 0.00 C ATOM 406 CD1 LEU A 25 -4.932 4.859 0.936 1.00 0.00 C ATOM 407 CD2 LEU A 25 -5.177 2.520 0.037 1.00 0.00 C ATOM 0 H LEU A 25 -7.261 4.550 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.747 2.201 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.545 4.998 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.293 3.502 1.409 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.649 4.323 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.884 4.864 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.326 5.874 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.017 4.480 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.134 2.521 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.247 2.140 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.757 1.882 -0.629 1.00 0.00 H new ATOM 419 N SER A 26 -10.351 4.110 -0.646 1.00 0.00 N ATOM 420 CA SER A 26 -11.766 4.213 -0.190 1.00 0.00 C ATOM 421 C SER A 26 -12.570 3.022 -0.711 1.00 0.00 C ATOM 422 O SER A 26 -13.365 2.439 -0.002 1.00 0.00 O ATOM 423 CB SER A 26 -12.374 5.508 -0.726 1.00 0.00 C ATOM 424 OG SER A 26 -12.201 5.558 -2.136 1.00 0.00 O ATOM 0 H SER A 26 -10.100 4.725 -1.420 1.00 0.00 H new ATOM 0 HA SER A 26 -11.794 4.214 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.434 5.557 -0.476 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.896 6.369 -0.258 1.00 0.00 H new ATOM 0 HG SER A 26 -12.591 6.387 -2.484 1.00 0.00 H new ATOM 430 N ALA A 27 -12.376 2.661 -1.949 1.00 0.00 N ATOM 431 CA ALA A 27 -13.136 1.515 -2.516 1.00 0.00 C ATOM 432 C ALA A 27 -12.611 0.206 -1.923 1.00 0.00 C ATOM 433 O ALA A 27 -13.367 -0.678 -1.574 1.00 0.00 O ATOM 434 CB ALA A 27 -12.959 1.491 -4.034 1.00 0.00 C ATOM 0 H ALA A 27 -11.724 3.111 -2.592 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.193 1.625 -2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.515 0.652 -4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.334 2.422 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.902 1.382 -4.275 1.00 0.00 H new ATOM 440 N LEU A 28 -11.319 0.079 -1.798 1.00 0.00 N ATOM 441 CA LEU A 28 -10.744 -1.171 -1.230 1.00 0.00 C ATOM 442 C LEU A 28 -11.217 -1.345 0.214 1.00 0.00 C ATOM 443 O LEU A 28 -11.340 -2.445 0.708 1.00 0.00 O ATOM 444 CB LEU A 28 -9.213 -1.084 -1.262 1.00 0.00 C ATOM 445 CG LEU A 28 -8.709 -1.410 -2.670 1.00 0.00 C ATOM 446 CD1 LEU A 28 -9.401 -0.504 -3.693 1.00 0.00 C ATOM 447 CD2 LEU A 28 -7.191 -1.195 -2.735 1.00 0.00 C ATOM 0 H LEU A 28 -10.636 0.788 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.074 -2.025 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.889 -0.085 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.784 -1.780 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.938 -2.450 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.038 -0.741 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.478 -0.664 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.180 0.538 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.833 -1.427 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.960 -0.156 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.700 -1.848 -2.014 1.00 0.00 H new ATOM 459 N SER A 29 -11.484 -0.270 0.889 1.00 0.00 N ATOM 460 CA SER A 29 -11.941 -0.372 2.307 1.00 0.00 C ATOM 461 C SER A 29 -13.331 -1.017 2.380 1.00 0.00 C ATOM 462 O SER A 29 -13.528 -2.012 3.050 1.00 0.00 O ATOM 463 CB SER A 29 -12.006 1.027 2.918 1.00 0.00 C ATOM 464 OG SER A 29 -13.066 1.755 2.311 1.00 0.00 O ATOM 0 H SER A 29 -11.407 0.680 0.525 1.00 0.00 H new ATOM 0 HA SER A 29 -11.234 -0.992 2.859 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.165 0.959 3.994 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.060 1.547 2.768 1.00 0.00 H new ATOM 0 HG SER A 29 -12.938 1.770 1.340 1.00 0.00 H new ATOM 470 N ARG A 30 -14.300 -0.447 1.716 1.00 0.00 N ATOM 471 CA ARG A 30 -15.679 -1.016 1.761 1.00 0.00 C ATOM 472 C ARG A 30 -15.731 -2.371 1.045 1.00 0.00 C ATOM 473 O ARG A 30 -16.632 -3.158 1.260 1.00 0.00 O ATOM 474 CB ARG A 30 -16.648 -0.047 1.083 1.00 0.00 C ATOM 475 CG ARG A 30 -16.099 0.341 -0.289 1.00 0.00 C ATOM 476 CD ARG A 30 -17.157 1.126 -1.063 1.00 0.00 C ATOM 477 NE ARG A 30 -17.419 2.421 -0.375 1.00 0.00 N ATOM 478 CZ ARG A 30 -18.023 3.384 -1.016 1.00 0.00 C ATOM 479 NH1 ARG A 30 -18.387 3.213 -2.256 1.00 0.00 N ATOM 480 NH2 ARG A 30 -18.258 4.520 -0.415 1.00 0.00 N ATOM 0 H ARG A 30 -14.196 0.390 1.143 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.963 -1.162 2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.629 -0.511 0.977 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -16.781 0.842 1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.197 0.943 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.817 -0.553 -0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.817 1.306 -2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -18.077 0.546 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 30 -17.127 2.555 0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.200 2.327 -2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -18.859 3.965 -2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.969 4.653 0.554 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.730 5.273 -0.915 1.00 0.00 H new ATOM 494 N GLN A 31 -14.788 -2.650 0.189 1.00 0.00 N ATOM 495 CA GLN A 31 -14.808 -3.951 -0.540 1.00 0.00 C ATOM 496 C GLN A 31 -14.606 -5.115 0.446 1.00 0.00 C ATOM 497 O GLN A 31 -15.265 -6.131 0.352 1.00 0.00 O ATOM 498 CB GLN A 31 -13.684 -3.954 -1.596 1.00 0.00 C ATOM 499 CG GLN A 31 -14.193 -3.372 -2.921 1.00 0.00 C ATOM 500 CD GLN A 31 -13.062 -3.399 -3.953 1.00 0.00 C ATOM 501 OE1 GLN A 31 -11.830 -3.553 -3.551 1.00 0.00 O flip ATOM 502 NE2 GLN A 31 -13.304 -3.284 -5.139 1.00 0.00 N flip ATOM 0 H GLN A 31 -14.006 -2.036 -0.038 1.00 0.00 H new ATOM 0 HA GLN A 31 -15.773 -4.077 -1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.837 -3.370 -1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.326 -4.972 -1.752 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.044 -3.949 -3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.541 -2.350 -2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.267 -3.164 -5.454 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.544 -3.308 -5.819 1.00 0.00 H new ATOM 511 N PHE A 32 -13.697 -4.983 1.383 1.00 0.00 N ATOM 512 CA PHE A 32 -13.450 -6.096 2.361 1.00 0.00 C ATOM 513 C PHE A 32 -14.140 -5.787 3.695 1.00 0.00 C ATOM 514 O PHE A 32 -14.521 -6.687 4.421 1.00 0.00 O ATOM 515 CB PHE A 32 -11.942 -6.247 2.581 1.00 0.00 C ATOM 516 CG PHE A 32 -11.303 -6.730 1.298 1.00 0.00 C ATOM 517 CD1 PHE A 32 -10.964 -5.810 0.290 1.00 0.00 C ATOM 518 CD2 PHE A 32 -11.066 -8.105 1.105 1.00 0.00 C ATOM 519 CE1 PHE A 32 -10.387 -6.261 -0.911 1.00 0.00 C ATOM 520 CE2 PHE A 32 -10.486 -8.557 -0.096 1.00 0.00 C ATOM 521 CZ PHE A 32 -10.147 -7.636 -1.104 1.00 0.00 C ATOM 0 H PHE A 32 -13.116 -4.155 1.514 1.00 0.00 H new ATOM 0 HA PHE A 32 -13.858 -7.025 1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.508 -5.293 2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.748 -6.954 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.147 -4.756 0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.329 -8.812 1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.128 -5.554 -1.685 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.301 -9.611 -0.243 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.703 -7.983 -2.025 1.00 0.00 H new ATOM 531 N GLY A 33 -14.320 -4.526 4.022 1.00 0.00 N ATOM 532 CA GLY A 33 -15.005 -4.158 5.306 1.00 0.00 C ATOM 533 C GLY A 33 -14.118 -3.251 6.163 1.00 0.00 C ATOM 534 O GLY A 33 -14.596 -2.319 6.778 1.00 0.00 O ATOM 0 H GLY A 33 -14.021 -3.734 3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.945 -3.652 5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.251 -5.062 5.863 1.00 0.00 H new ATOM 538 N TYR A 34 -12.838 -3.512 6.228 1.00 0.00 N ATOM 539 CA TYR A 34 -11.954 -2.655 7.076 1.00 0.00 C ATOM 540 C TYR A 34 -12.255 -1.174 6.819 1.00 0.00 C ATOM 541 O TYR A 34 -12.257 -0.708 5.696 1.00 0.00 O ATOM 542 CB TYR A 34 -10.481 -2.946 6.772 1.00 0.00 C ATOM 543 CG TYR A 34 -10.255 -4.442 6.698 1.00 0.00 C ATOM 544 CD1 TYR A 34 -10.685 -5.285 7.748 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.622 -4.999 5.572 1.00 0.00 C ATOM 546 CE1 TYR A 34 -10.478 -6.675 7.664 1.00 0.00 C ATOM 547 CE2 TYR A 34 -9.418 -6.386 5.492 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.846 -7.226 6.536 1.00 0.00 C ATOM 549 OH TYR A 34 -9.645 -8.589 6.451 1.00 0.00 O ATOM 0 H TYR A 34 -12.370 -4.273 5.736 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.149 -2.883 8.124 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.196 -2.479 5.829 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.848 -2.512 7.546 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.172 -4.863 8.614 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.292 -4.359 4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.805 -7.319 8.467 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.931 -6.809 4.626 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.196 -8.801 5.606 1.00 0.00 H new ATOM 559 N ALA A 35 -12.534 -0.442 7.862 1.00 0.00 N ATOM 560 CA ALA A 35 -12.853 1.006 7.707 1.00 0.00 C ATOM 561 C ALA A 35 -11.782 1.672 6.818 1.00 0.00 C ATOM 562 O ALA A 35 -10.723 1.109 6.615 1.00 0.00 O ATOM 563 CB ALA A 35 -12.888 1.661 9.109 1.00 0.00 C ATOM 0 H ALA A 35 -12.555 -0.787 8.822 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.825 1.134 7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.121 2.721 9.010 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.652 1.177 9.718 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.916 1.546 9.589 1.00 0.00 H new ATOM 569 N PRO A 36 -12.073 2.861 6.321 1.00 0.00 N ATOM 570 CA PRO A 36 -11.118 3.593 5.468 1.00 0.00 C ATOM 571 C PRO A 36 -9.848 3.916 6.269 1.00 0.00 C ATOM 572 O PRO A 36 -8.760 3.965 5.731 1.00 0.00 O ATOM 573 CB PRO A 36 -11.863 4.884 5.054 1.00 0.00 C ATOM 574 CG PRO A 36 -13.189 4.934 5.866 1.00 0.00 C ATOM 575 CD PRO A 36 -13.357 3.564 6.559 1.00 0.00 C ATOM 0 HA PRO A 36 -10.802 3.019 4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.252 5.763 5.261 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.068 4.883 3.983 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.158 5.736 6.603 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.034 5.138 5.209 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.553 3.681 7.625 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.196 3.009 6.140 1.00 0.00 H new ATOM 583 N THR A 37 -9.982 4.143 7.547 1.00 0.00 N ATOM 584 CA THR A 37 -8.786 4.469 8.373 1.00 0.00 C ATOM 585 C THR A 37 -7.828 3.276 8.381 1.00 0.00 C ATOM 586 O THR A 37 -6.628 3.436 8.307 1.00 0.00 O ATOM 587 CB THR A 37 -9.222 4.784 9.809 1.00 0.00 C ATOM 588 OG1 THR A 37 -9.518 3.572 10.490 1.00 0.00 O ATOM 589 CG2 THR A 37 -10.465 5.677 9.789 1.00 0.00 C ATOM 0 H THR A 37 -10.867 4.117 8.054 1.00 0.00 H new ATOM 0 HA THR A 37 -8.281 5.337 7.949 1.00 0.00 H new ATOM 0 HB THR A 37 -8.415 5.304 10.325 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.795 3.772 11.408 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.771 5.898 10.812 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.236 6.608 9.270 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.275 5.162 9.271 1.00 0.00 H new ATOM 597 N THR A 38 -8.346 2.083 8.469 1.00 0.00 N ATOM 598 CA THR A 38 -7.456 0.885 8.481 1.00 0.00 C ATOM 599 C THR A 38 -6.565 0.879 7.235 1.00 0.00 C ATOM 600 O THR A 38 -5.354 0.925 7.324 1.00 0.00 O ATOM 601 CB THR A 38 -8.317 -0.390 8.507 1.00 0.00 C ATOM 602 OG1 THR A 38 -8.913 -0.524 9.789 1.00 0.00 O ATOM 603 CG2 THR A 38 -7.454 -1.633 8.215 1.00 0.00 C ATOM 0 H THR A 38 -9.344 1.884 8.533 1.00 0.00 H new ATOM 0 HA THR A 38 -6.823 0.918 9.368 1.00 0.00 H new ATOM 0 HB THR A 38 -9.088 -0.310 7.740 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.464 -1.334 9.810 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.081 -2.525 8.238 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.997 -1.536 7.230 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.673 -1.719 8.970 1.00 0.00 H new ATOM 611 N LEU A 39 -7.155 0.801 6.073 1.00 0.00 N ATOM 612 CA LEU A 39 -6.342 0.766 4.823 1.00 0.00 C ATOM 613 C LEU A 39 -5.308 1.902 4.858 1.00 0.00 C ATOM 614 O LEU A 39 -4.123 1.683 4.712 1.00 0.00 O ATOM 615 CB LEU A 39 -7.287 0.929 3.600 1.00 0.00 C ATOM 616 CG LEU A 39 -7.116 -0.207 2.566 1.00 0.00 C ATOM 617 CD1 LEU A 39 -5.621 -0.485 2.265 1.00 0.00 C ATOM 618 CD2 LEU A 39 -7.794 -1.482 3.089 1.00 0.00 C ATOM 0 H LEU A 39 -8.165 0.760 5.935 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.816 -0.185 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.321 0.951 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.091 1.887 3.118 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.587 0.107 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.541 -1.290 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.157 0.416 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.113 -0.778 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.674 -2.283 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.335 -1.778 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.856 -1.291 3.246 1.00 0.00 H new ATOM 630 N ALA A 40 -5.752 3.115 5.032 1.00 0.00 N ATOM 631 CA ALA A 40 -4.798 4.260 5.064 1.00 0.00 C ATOM 632 C ALA A 40 -3.726 4.008 6.129 1.00 0.00 C ATOM 633 O ALA A 40 -2.548 3.955 5.840 1.00 0.00 O ATOM 634 CB ALA A 40 -5.558 5.546 5.398 1.00 0.00 C ATOM 0 H ALA A 40 -6.734 3.364 5.153 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.321 4.361 4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.862 6.384 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.318 5.727 4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.036 5.444 6.372 1.00 0.00 H new ATOM 640 N ASN A 41 -4.130 3.853 7.360 1.00 0.00 N ATOM 641 CA ASN A 41 -3.146 3.610 8.455 1.00 0.00 C ATOM 642 C ASN A 41 -2.315 2.356 8.156 1.00 0.00 C ATOM 643 O ASN A 41 -1.306 2.112 8.786 1.00 0.00 O ATOM 644 CB ASN A 41 -3.900 3.424 9.776 1.00 0.00 C ATOM 645 CG ASN A 41 -2.902 3.295 10.930 1.00 0.00 C ATOM 646 OD1 ASN A 41 -3.217 2.726 11.957 1.00 0.00 O ATOM 647 ND2 ASN A 41 -1.706 3.804 10.807 1.00 0.00 N ATOM 0 H ASN A 41 -5.105 3.884 7.657 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.474 4.465 8.529 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.563 4.272 9.949 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.528 2.534 9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.037 3.724 11.572 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.441 4.282 9.945 1.00 0.00 H new ATOM 654 N ALA A 42 -2.726 1.557 7.208 1.00 0.00 N ATOM 655 CA ALA A 42 -1.948 0.325 6.884 1.00 0.00 C ATOM 656 C ALA A 42 -0.654 0.711 6.161 1.00 0.00 C ATOM 657 O ALA A 42 0.081 -0.137 5.691 1.00 0.00 O ATOM 658 CB ALA A 42 -2.786 -0.589 5.981 1.00 0.00 C ATOM 0 H ALA A 42 -3.564 1.703 6.645 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.704 -0.202 7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.217 -1.488 5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.705 -0.866 6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.032 -0.063 5.059 1.00 0.00 H new ATOM 664 N LEU A 43 -0.381 1.984 6.046 1.00 0.00 N ATOM 665 CA LEU A 43 0.856 2.425 5.334 1.00 0.00 C ATOM 666 C LEU A 43 2.056 2.450 6.289 1.00 0.00 C ATOM 667 O LEU A 43 3.182 2.257 5.874 1.00 0.00 O ATOM 668 CB LEU A 43 0.637 3.831 4.765 1.00 0.00 C ATOM 669 CG LEU A 43 -0.351 3.784 3.581 1.00 0.00 C ATOM 670 CD1 LEU A 43 -0.994 5.162 3.395 1.00 0.00 C ATOM 671 CD2 LEU A 43 0.383 3.402 2.287 1.00 0.00 C ATOM 0 H LEU A 43 -0.961 2.738 6.414 1.00 0.00 H new ATOM 0 HA LEU A 43 1.064 1.719 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.251 4.489 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.588 4.250 4.437 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.116 3.038 3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.692 5.128 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.529 5.439 4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.219 5.901 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.327 3.373 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.156 4.141 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.842 2.421 2.405 1.00 0.00 H new ATOM 683 N GLU A 44 1.834 2.698 7.561 1.00 0.00 N ATOM 684 CA GLU A 44 2.974 2.745 8.537 1.00 0.00 C ATOM 685 C GLU A 44 2.650 1.888 9.761 1.00 0.00 C ATOM 686 O GLU A 44 3.509 1.612 10.576 1.00 0.00 O ATOM 687 CB GLU A 44 3.209 4.192 8.980 1.00 0.00 C ATOM 688 CG GLU A 44 1.902 4.788 9.506 1.00 0.00 C ATOM 689 CD GLU A 44 2.107 6.268 9.833 1.00 0.00 C ATOM 690 OE1 GLU A 44 3.246 6.658 10.032 1.00 0.00 O ATOM 691 OE2 GLU A 44 1.123 6.988 9.875 1.00 0.00 O ATOM 0 H GLU A 44 0.913 2.870 7.965 1.00 0.00 H new ATOM 0 HA GLU A 44 3.871 2.358 8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.974 4.225 9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.579 4.784 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.114 4.676 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.578 4.250 10.397 1.00 0.00 H new ATOM 698 N ARG A 45 1.427 1.462 9.906 1.00 0.00 N ATOM 699 CA ARG A 45 1.080 0.619 11.083 1.00 0.00 C ATOM 700 C ARG A 45 1.612 -0.796 10.864 1.00 0.00 C ATOM 701 O ARG A 45 1.595 -1.312 9.765 1.00 0.00 O ATOM 702 CB ARG A 45 -0.444 0.566 11.258 1.00 0.00 C ATOM 703 CG ARG A 45 -0.796 -0.020 12.640 1.00 0.00 C ATOM 704 CD ARG A 45 -0.835 1.092 13.694 1.00 0.00 C ATOM 705 NE ARG A 45 -0.669 0.496 15.049 1.00 0.00 N ATOM 706 CZ ARG A 45 -0.354 1.258 16.056 1.00 0.00 C ATOM 707 NH1 ARG A 45 -0.163 2.536 15.872 1.00 0.00 N ATOM 708 NH2 ARG A 45 -0.226 0.741 17.250 1.00 0.00 N ATOM 0 H ARG A 45 0.658 1.659 9.266 1.00 0.00 H new ATOM 0 HA ARG A 45 1.529 1.050 11.978 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.865 1.567 11.160 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.888 -0.044 10.471 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.763 -0.522 12.595 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.059 -0.772 12.922 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.043 1.816 13.504 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.781 1.631 13.635 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.802 -0.506 15.187 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.261 2.937 14.939 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.084 3.134 16.661 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.373 -0.258 17.391 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.021 1.337 18.040 1.00 0.00 H new ATOM 722 N HIS A 46 2.080 -1.431 11.902 1.00 0.00 N ATOM 723 CA HIS A 46 2.610 -2.815 11.750 1.00 0.00 C ATOM 724 C HIS A 46 1.470 -3.751 11.333 1.00 0.00 C ATOM 725 O HIS A 46 0.824 -4.369 12.153 1.00 0.00 O ATOM 726 CB HIS A 46 3.197 -3.280 13.086 1.00 0.00 C ATOM 727 CG HIS A 46 2.113 -3.292 14.127 1.00 0.00 C ATOM 728 ND1 HIS A 46 1.578 -4.469 14.621 1.00 0.00 N ATOM 729 CD2 HIS A 46 1.444 -2.278 14.767 1.00 0.00 C ATOM 730 CE1 HIS A 46 0.628 -4.140 15.515 1.00 0.00 C ATOM 731 NE2 HIS A 46 0.505 -2.815 15.643 1.00 0.00 N ATOM 0 H HIS A 46 2.119 -1.052 12.848 1.00 0.00 H new ATOM 0 HA HIS A 46 3.388 -2.831 10.987 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.627 -4.276 12.981 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.004 -2.615 13.393 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.620 -1.223 14.614 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.037 -4.859 16.063 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.138 -2.307 16.251 1.00 0.00 H new ATOM 739 N TRP A 47 1.216 -3.861 10.059 1.00 0.00 N ATOM 740 CA TRP A 47 0.120 -4.757 9.594 1.00 0.00 C ATOM 741 C TRP A 47 0.337 -5.074 8.103 1.00 0.00 C ATOM 742 O TRP A 47 -0.349 -4.538 7.257 1.00 0.00 O ATOM 743 CB TRP A 47 -1.232 -4.052 9.791 1.00 0.00 C ATOM 744 CG TRP A 47 -2.348 -4.983 9.427 1.00 0.00 C ATOM 745 CD1 TRP A 47 -2.485 -6.257 9.873 1.00 0.00 C ATOM 746 CD2 TRP A 47 -3.491 -4.734 8.554 1.00 0.00 C ATOM 747 NE1 TRP A 47 -3.621 -6.808 9.316 1.00 0.00 N ATOM 748 CE2 TRP A 47 -4.279 -5.914 8.498 1.00 0.00 C ATOM 749 CE3 TRP A 47 -3.915 -3.614 7.805 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -5.446 -5.983 7.727 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -5.093 -3.677 7.027 1.00 0.00 C ATOM 752 CH2 TRP A 47 -5.854 -4.861 6.989 1.00 0.00 C ATOM 0 H TRP A 47 1.719 -3.370 9.320 1.00 0.00 H new ATOM 0 HA TRP A 47 0.123 -5.684 10.167 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.337 -3.731 10.827 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.278 -3.155 9.173 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.813 -6.759 10.554 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.936 -7.763 9.489 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.335 -2.703 7.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.028 -6.893 7.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.410 -2.814 6.460 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.752 -4.906 6.391 1.00 0.00 H new ATOM 763 N PRO A 48 1.318 -5.915 7.824 1.00 0.00 N ATOM 764 CA PRO A 48 1.658 -6.291 6.434 1.00 0.00 C ATOM 765 C PRO A 48 0.466 -6.947 5.708 1.00 0.00 C ATOM 766 O PRO A 48 0.470 -7.071 4.498 1.00 0.00 O ATOM 767 CB PRO A 48 2.850 -7.270 6.567 1.00 0.00 C ATOM 768 CG PRO A 48 3.274 -7.283 8.063 1.00 0.00 C ATOM 769 CD PRO A 48 2.179 -6.541 8.858 1.00 0.00 C ATOM 0 HA PRO A 48 1.911 -5.418 5.832 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.564 -8.270 6.240 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.680 -6.953 5.935 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.383 -8.306 8.422 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.240 -6.795 8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.610 -7.229 9.483 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.611 -5.791 9.520 1.00 0.00 H new ATOM 777 N LYS A 49 -0.549 -7.370 6.414 1.00 0.00 N ATOM 778 CA LYS A 49 -1.701 -8.008 5.710 1.00 0.00 C ATOM 779 C LYS A 49 -2.497 -6.929 4.968 1.00 0.00 C ATOM 780 O LYS A 49 -3.181 -7.201 3.999 1.00 0.00 O ATOM 781 CB LYS A 49 -2.602 -8.734 6.720 1.00 0.00 C ATOM 782 CG LYS A 49 -3.608 -9.639 5.981 1.00 0.00 C ATOM 783 CD LYS A 49 -2.967 -10.997 5.660 1.00 0.00 C ATOM 784 CE LYS A 49 -4.021 -11.930 5.063 1.00 0.00 C ATOM 785 NZ LYS A 49 -5.055 -12.236 6.091 1.00 0.00 N ATOM 0 H LYS A 49 -0.631 -7.304 7.429 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.329 -8.740 4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.993 -9.332 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.137 -8.006 7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.496 -9.785 6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.934 -9.156 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.143 -10.866 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.548 -11.436 6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.484 -11.463 4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.552 -12.852 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.530 -13.129 5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.602 -12.325 7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.756 -11.468 6.118 1.00 0.00 H new ATOM 799 N GLY A 50 -2.394 -5.698 5.397 1.00 0.00 N ATOM 800 CA GLY A 50 -3.128 -4.601 4.696 1.00 0.00 C ATOM 801 C GLY A 50 -2.430 -4.320 3.368 1.00 0.00 C ATOM 802 O GLY A 50 -3.042 -3.890 2.409 1.00 0.00 O ATOM 0 H GLY A 50 -1.836 -5.405 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.165 -4.889 4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.144 -3.702 5.313 1.00 0.00 H new ATOM 806 N GLU A 51 -1.150 -4.568 3.304 1.00 0.00 N ATOM 807 CA GLU A 51 -0.408 -4.335 2.037 1.00 0.00 C ATOM 808 C GLU A 51 -0.841 -5.399 1.032 1.00 0.00 C ATOM 809 O GLU A 51 -0.916 -5.159 -0.159 1.00 0.00 O ATOM 810 CB GLU A 51 1.094 -4.458 2.296 1.00 0.00 C ATOM 811 CG GLU A 51 1.473 -3.601 3.503 1.00 0.00 C ATOM 812 CD GLU A 51 2.983 -3.683 3.728 1.00 0.00 C ATOM 813 OE1 GLU A 51 3.580 -4.636 3.256 1.00 0.00 O ATOM 814 OE2 GLU A 51 3.518 -2.792 4.366 1.00 0.00 O ATOM 0 H GLU A 51 -0.587 -4.923 4.077 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.621 -3.339 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.359 -5.500 2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.653 -4.136 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.174 -2.566 3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.942 -3.947 4.390 1.00 0.00 H new ATOM 821 N GLN A 52 -1.140 -6.579 1.511 1.00 0.00 N ATOM 822 CA GLN A 52 -1.585 -7.664 0.596 1.00 0.00 C ATOM 823 C GLN A 52 -2.866 -7.215 -0.108 1.00 0.00 C ATOM 824 O GLN A 52 -3.031 -7.407 -1.298 1.00 0.00 O ATOM 825 CB GLN A 52 -1.850 -8.938 1.400 1.00 0.00 C ATOM 826 CG GLN A 52 -0.519 -9.524 1.890 1.00 0.00 C ATOM 827 CD GLN A 52 0.189 -10.233 0.731 1.00 0.00 C ATOM 828 OE1 GLN A 52 -0.300 -10.244 -0.381 1.00 0.00 O ATOM 829 NE2 GLN A 52 1.329 -10.831 0.946 1.00 0.00 N ATOM 0 H GLN A 52 -1.094 -6.835 2.497 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.811 -7.871 -0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.496 -8.716 2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.375 -9.667 0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.115 -8.731 2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.697 -10.226 2.704 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.741 -10.823 1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.808 -11.306 0.181 1.00 0.00 H new ATOM 838 N ILE A 53 -3.768 -6.594 0.609 1.00 0.00 N ATOM 839 CA ILE A 53 -5.030 -6.117 -0.034 1.00 0.00 C ATOM 840 C ILE A 53 -4.664 -5.216 -1.214 1.00 0.00 C ATOM 841 O ILE A 53 -5.174 -5.360 -2.311 1.00 0.00 O ATOM 842 CB ILE A 53 -5.855 -5.312 0.981 1.00 0.00 C ATOM 843 CG1 ILE A 53 -6.283 -6.232 2.135 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.098 -4.738 0.291 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.949 -5.416 3.261 1.00 0.00 C ATOM 0 H ILE A 53 -3.686 -6.397 1.607 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.617 -6.969 -0.377 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.252 -4.494 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.977 -6.988 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.414 -6.761 2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.683 -4.167 1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.792 -4.085 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.704 -5.553 -0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.245 -6.085 4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.243 -4.678 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.830 -4.908 2.870 1.00 0.00 H new ATOM 857 N ILE A 54 -3.784 -4.280 -0.994 1.00 0.00 N ATOM 858 CA ILE A 54 -3.380 -3.356 -2.088 1.00 0.00 C ATOM 859 C ILE A 54 -2.672 -4.139 -3.198 1.00 0.00 C ATOM 860 O ILE A 54 -3.004 -4.024 -4.360 1.00 0.00 O ATOM 861 CB ILE A 54 -2.426 -2.301 -1.520 1.00 0.00 C ATOM 862 CG1 ILE A 54 -3.215 -1.363 -0.595 1.00 0.00 C ATOM 863 CG2 ILE A 54 -1.808 -1.500 -2.669 1.00 0.00 C ATOM 864 CD1 ILE A 54 -2.260 -0.405 0.153 1.00 0.00 C ATOM 0 H ILE A 54 -3.325 -4.115 -0.098 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.265 -2.874 -2.503 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.629 -2.785 -0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.933 -0.787 -1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.787 -1.949 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.129 -0.749 -2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.256 -2.172 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.598 -1.007 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.839 0.251 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.560 -0.985 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.707 0.195 -0.570 1.00 0.00 H new ATOM 876 N ALA A 55 -1.694 -4.925 -2.853 1.00 0.00 N ATOM 877 CA ALA A 55 -0.964 -5.698 -3.895 1.00 0.00 C ATOM 878 C ALA A 55 -1.951 -6.598 -4.642 1.00 0.00 C ATOM 879 O ALA A 55 -1.803 -6.854 -5.820 1.00 0.00 O ATOM 880 CB ALA A 55 0.113 -6.559 -3.228 1.00 0.00 C ATOM 0 H ALA A 55 -1.368 -5.066 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.494 -5.012 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.649 -7.126 -3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.813 -5.917 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.356 -7.248 -2.525 1.00 0.00 H new ATOM 886 N ASN A 56 -2.958 -7.078 -3.966 1.00 0.00 N ATOM 887 CA ASN A 56 -3.954 -7.963 -4.640 1.00 0.00 C ATOM 888 C ASN A 56 -4.558 -7.238 -5.842 1.00 0.00 C ATOM 889 O ASN A 56 -4.823 -7.830 -6.868 1.00 0.00 O ATOM 890 CB ASN A 56 -5.067 -8.338 -3.657 1.00 0.00 C ATOM 891 CG ASN A 56 -6.079 -9.243 -4.364 1.00 0.00 C ATOM 892 OD1 ASN A 56 -6.879 -8.780 -5.155 1.00 0.00 O ATOM 893 ND2 ASN A 56 -6.080 -10.523 -4.112 1.00 0.00 N ATOM 0 H ASN A 56 -3.136 -6.897 -2.978 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.452 -8.870 -4.978 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.647 -8.849 -2.791 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.561 -7.439 -3.288 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.751 -11.134 -4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.410 -10.913 -3.449 1.00 0.00 H new ATOM 900 N ALA A 57 -4.793 -5.958 -5.720 1.00 0.00 N ATOM 901 CA ALA A 57 -5.397 -5.202 -6.853 1.00 0.00 C ATOM 902 C ALA A 57 -4.489 -5.274 -8.085 1.00 0.00 C ATOM 903 O ALA A 57 -4.956 -5.416 -9.197 1.00 0.00 O ATOM 904 CB ALA A 57 -5.598 -3.740 -6.446 1.00 0.00 C ATOM 0 H ALA A 57 -4.593 -5.406 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.361 -5.647 -7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.040 -3.189 -7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.262 -3.691 -5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.635 -3.298 -6.189 1.00 0.00 H new ATOM 910 N LEU A 58 -3.198 -5.184 -7.903 1.00 0.00 N ATOM 911 CA LEU A 58 -2.274 -5.254 -9.072 1.00 0.00 C ATOM 912 C LEU A 58 -1.909 -6.716 -9.322 1.00 0.00 C ATOM 913 O LEU A 58 -1.094 -7.026 -10.167 1.00 0.00 O ATOM 914 CB LEU A 58 -0.990 -4.484 -8.755 1.00 0.00 C ATOM 915 CG LEU A 58 -1.275 -2.984 -8.589 1.00 0.00 C ATOM 916 CD1 LEU A 58 -0.117 -2.338 -7.816 1.00 0.00 C ATOM 917 CD2 LEU A 58 -1.404 -2.310 -9.964 1.00 0.00 C ATOM 0 H LEU A 58 -2.744 -5.065 -6.997 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.759 -4.823 -9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.543 -4.876 -7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.265 -4.634 -9.555 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.210 -2.856 -8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.311 -1.272 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.028 -2.806 -6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.812 -2.476 -8.369 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.606 -1.247 -9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.475 -2.436 -10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.223 -2.768 -10.518 1.00 0.00 H new ATOM 929 N GLU A 59 -2.499 -7.615 -8.582 1.00 0.00 N ATOM 930 CA GLU A 59 -2.182 -9.060 -8.762 1.00 0.00 C ATOM 931 C GLU A 59 -0.676 -9.269 -8.588 1.00 0.00 C ATOM 932 O GLU A 59 -0.115 -10.234 -9.069 1.00 0.00 O ATOM 933 CB GLU A 59 -2.611 -9.512 -10.161 1.00 0.00 C ATOM 934 CG GLU A 59 -4.062 -9.094 -10.406 1.00 0.00 C ATOM 935 CD GLU A 59 -4.570 -9.734 -11.700 1.00 0.00 C ATOM 936 OE1 GLU A 59 -3.959 -10.694 -12.142 1.00 0.00 O ATOM 937 OE2 GLU A 59 -5.560 -9.255 -12.225 1.00 0.00 O ATOM 0 H GLU A 59 -3.189 -7.410 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.720 -9.649 -8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.961 -9.068 -10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.512 -10.594 -10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.686 -9.402 -9.567 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.132 -8.008 -10.474 1.00 0.00 H new ATOM 944 N THR A 60 -0.018 -8.368 -7.895 1.00 0.00 N ATOM 945 CA THR A 60 1.463 -8.501 -7.672 1.00 0.00 C ATOM 946 C THR A 60 1.733 -8.804 -6.195 1.00 0.00 C ATOM 947 O THR A 60 0.826 -9.088 -5.437 1.00 0.00 O ATOM 948 CB THR A 60 2.166 -7.192 -8.072 1.00 0.00 C ATOM 949 OG1 THR A 60 3.568 -7.415 -8.136 1.00 0.00 O ATOM 950 CG2 THR A 60 1.878 -6.085 -7.045 1.00 0.00 C ATOM 0 H THR A 60 -0.443 -7.543 -7.472 1.00 0.00 H new ATOM 0 HA THR A 60 1.850 -9.316 -8.283 1.00 0.00 H new ATOM 0 HB THR A 60 1.789 -6.875 -9.044 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.020 -6.584 -8.392 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.384 -5.168 -7.347 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.804 -5.906 -6.994 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.241 -6.394 -6.065 1.00 0.00 H new ATOM 958 N LYS A 61 2.976 -8.741 -5.781 1.00 0.00 N ATOM 959 CA LYS A 61 3.327 -9.020 -4.353 1.00 0.00 C ATOM 960 C LYS A 61 3.676 -7.681 -3.668 1.00 0.00 C ATOM 961 O LYS A 61 4.206 -6.803 -4.319 1.00 0.00 O ATOM 962 CB LYS A 61 4.555 -9.950 -4.293 1.00 0.00 C ATOM 963 CG LYS A 61 4.460 -11.050 -5.366 1.00 0.00 C ATOM 964 CD LYS A 61 5.788 -11.842 -5.438 1.00 0.00 C ATOM 965 CE LYS A 61 6.701 -11.259 -6.529 1.00 0.00 C ATOM 966 NZ LYS A 61 6.912 -9.803 -6.288 1.00 0.00 N ATOM 0 H LYS A 61 3.769 -8.506 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 61 2.487 -9.500 -3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.465 -9.368 -4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.625 -10.405 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.637 -11.726 -5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.241 -10.604 -6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.294 -11.805 -4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.582 -12.891 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.659 -11.779 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.253 -11.413 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.658 -9.451 -6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.028 -9.288 -6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.198 -9.653 -5.299 1.00 0.00 H new ATOM 980 N PRO A 62 3.403 -7.545 -2.383 1.00 0.00 N ATOM 981 CA PRO A 62 3.734 -6.296 -1.674 1.00 0.00 C ATOM 982 C PRO A 62 5.255 -6.079 -1.715 1.00 0.00 C ATOM 983 O PRO A 62 5.739 -4.967 -1.618 1.00 0.00 O ATOM 984 CB PRO A 62 3.231 -6.512 -0.226 1.00 0.00 C ATOM 985 CG PRO A 62 2.756 -7.990 -0.119 1.00 0.00 C ATOM 986 CD PRO A 62 2.760 -8.583 -1.544 1.00 0.00 C ATOM 0 HA PRO A 62 3.275 -5.414 -2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.026 -6.311 0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.414 -5.828 0.003 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.417 -8.559 0.535 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.757 -8.041 0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.314 -9.521 -1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 62 1.748 -8.797 -1.886 1.00 0.00 H new ATOM 994 N GLU A 63 6.008 -7.139 -1.849 1.00 0.00 N ATOM 995 CA GLU A 63 7.494 -7.014 -1.894 1.00 0.00 C ATOM 996 C GLU A 63 7.909 -6.168 -3.099 1.00 0.00 C ATOM 997 O GLU A 63 9.060 -5.809 -3.249 1.00 0.00 O ATOM 998 CB GLU A 63 8.120 -8.406 -2.007 1.00 0.00 C ATOM 999 CG GLU A 63 7.457 -9.348 -0.998 1.00 0.00 C ATOM 1000 CD GLU A 63 8.205 -10.682 -0.978 1.00 0.00 C ATOM 1001 OE1 GLU A 63 8.842 -10.995 -1.969 1.00 0.00 O ATOM 1002 OE2 GLU A 63 8.126 -11.367 0.028 1.00 0.00 O ATOM 0 H GLU A 63 5.654 -8.092 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 63 7.841 -6.530 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.994 -8.792 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.192 -8.351 -1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.466 -8.899 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.413 -9.508 -1.266 1.00 0.00 H new ATOM 1009 N VAL A 64 6.984 -5.856 -3.968 1.00 0.00 N ATOM 1010 CA VAL A 64 7.322 -5.041 -5.176 1.00 0.00 C ATOM 1011 C VAL A 64 7.106 -3.558 -4.870 1.00 0.00 C ATOM 1012 O VAL A 64 7.800 -2.700 -5.379 1.00 0.00 O ATOM 1013 CB VAL A 64 6.402 -5.450 -6.327 1.00 0.00 C ATOM 1014 CG1 VAL A 64 6.851 -4.759 -7.615 1.00 0.00 C ATOM 1015 CG2 VAL A 64 6.460 -6.966 -6.520 1.00 0.00 C ATOM 0 H VAL A 64 6.005 -6.131 -3.894 1.00 0.00 H new ATOM 0 HA VAL A 64 8.363 -5.210 -5.450 1.00 0.00 H new ATOM 0 HB VAL A 64 5.380 -5.152 -6.091 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.194 -5.052 -8.433 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.806 -3.678 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.874 -5.053 -7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.803 -7.254 -7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.482 -7.264 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.136 -7.462 -5.605 1.00 0.00 H new ATOM 1025 N ILE A 65 6.147 -3.254 -4.040 1.00 0.00 N ATOM 1026 CA ILE A 65 5.868 -1.831 -3.690 1.00 0.00 C ATOM 1027 C ILE A 65 6.755 -1.415 -2.512 1.00 0.00 C ATOM 1028 O ILE A 65 6.916 -0.244 -2.229 1.00 0.00 O ATOM 1029 CB ILE A 65 4.388 -1.701 -3.304 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.496 -2.083 -4.511 1.00 0.00 C ATOM 1031 CG2 ILE A 65 4.089 -0.263 -2.865 1.00 0.00 C ATOM 1032 CD1 ILE A 65 2.153 -2.641 -4.015 1.00 0.00 C ATOM 0 H ILE A 65 5.539 -3.935 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 65 6.083 -1.184 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 65 4.173 -2.376 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.326 -1.209 -5.140 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.002 -2.826 -5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.037 -0.177 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.709 -0.009 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.308 0.421 -3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.532 -2.907 -4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.330 -3.527 -3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.643 -1.885 -3.417 1.00 0.00 H new ATOM 1044 N TRP A 66 7.338 -2.371 -1.821 1.00 0.00 N ATOM 1045 CA TRP A 66 8.224 -2.041 -0.655 1.00 0.00 C ATOM 1046 C TRP A 66 9.485 -2.928 -0.666 1.00 0.00 C ATOM 1047 O TRP A 66 9.654 -3.755 0.204 1.00 0.00 O ATOM 1048 CB TRP A 66 7.431 -2.278 0.637 1.00 0.00 C ATOM 1049 CG TRP A 66 6.412 -1.196 0.783 1.00 0.00 C ATOM 1050 CD1 TRP A 66 6.673 0.068 1.194 1.00 0.00 C ATOM 1051 CD2 TRP A 66 4.983 -1.253 0.512 1.00 0.00 C ATOM 1052 NE1 TRP A 66 5.497 0.797 1.184 1.00 0.00 N ATOM 1053 CE2 TRP A 66 4.424 0.030 0.771 1.00 0.00 C ATOM 1054 CE3 TRP A 66 4.120 -2.280 0.065 1.00 0.00 C ATOM 1055 CZ2 TRP A 66 3.057 0.283 0.591 1.00 0.00 C ATOM 1056 CZ3 TRP A 66 2.743 -2.029 -0.117 1.00 0.00 C ATOM 1057 CH2 TRP A 66 2.212 -0.747 0.145 1.00 0.00 C ATOM 0 H TRP A 66 7.238 -3.367 -2.015 1.00 0.00 H new ATOM 0 HA TRP A 66 8.541 -1.000 -0.719 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.944 -3.253 0.607 1.00 0.00 H new ATOM 0 HB3 TRP A 66 8.102 -2.283 1.496 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.643 0.446 1.483 1.00 0.00 H new ATOM 0 HE1 TRP A 66 5.430 1.780 1.449 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.517 -3.263 -0.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.655 1.265 0.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 2.093 -2.821 -0.458 1.00 0.00 H new ATOM 0 HH2 TRP A 66 1.158 -0.559 0.003 1.00 0.00 H new ATOM 1068 N PRO A 67 10.343 -2.735 -1.649 1.00 0.00 N ATOM 1069 CA PRO A 67 11.589 -3.526 -1.767 1.00 0.00 C ATOM 1070 C PRO A 67 12.652 -3.058 -0.749 1.00 0.00 C ATOM 1071 O PRO A 67 13.456 -3.845 -0.285 1.00 0.00 O ATOM 1072 CB PRO A 67 12.077 -3.247 -3.208 1.00 0.00 C ATOM 1073 CG PRO A 67 11.317 -1.986 -3.705 1.00 0.00 C ATOM 1074 CD PRO A 67 10.149 -1.739 -2.723 1.00 0.00 C ATOM 0 HA PRO A 67 11.420 -4.584 -1.567 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.154 -3.081 -3.226 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.875 -4.100 -3.856 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.982 -1.123 -3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.943 -2.137 -4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.171 -0.723 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.185 -1.869 -3.214 1.00 0.00 H new ATOM 1082 N SER A 68 12.701 -1.785 -0.438 1.00 0.00 N ATOM 1083 CA SER A 68 13.758 -1.284 0.505 1.00 0.00 C ATOM 1084 C SER A 68 13.322 -1.412 1.975 1.00 0.00 C ATOM 1085 O SER A 68 14.131 -1.286 2.871 1.00 0.00 O ATOM 1086 CB SER A 68 14.059 0.188 0.183 1.00 0.00 C ATOM 1087 OG SER A 68 13.880 0.407 -1.212 1.00 0.00 O ATOM 0 H SER A 68 12.061 -1.074 -0.792 1.00 0.00 H new ATOM 0 HA SER A 68 14.651 -1.895 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.398 0.840 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.080 0.435 0.474 1.00 0.00 H new ATOM 0 HG SER A 68 12.978 0.754 -1.376 1.00 0.00 H new ATOM 1093 N ARG A 69 12.067 -1.666 2.239 1.00 0.00 N ATOM 1094 CA ARG A 69 11.613 -1.805 3.664 1.00 0.00 C ATOM 1095 C ARG A 69 11.586 -3.287 4.052 1.00 0.00 C ATOM 1096 O ARG A 69 11.550 -3.625 5.217 1.00 0.00 O ATOM 1097 CB ARG A 69 10.203 -1.213 3.822 1.00 0.00 C ATOM 1098 CG ARG A 69 10.281 0.317 3.980 1.00 0.00 C ATOM 1099 CD ARG A 69 8.859 0.929 4.123 1.00 0.00 C ATOM 1100 NE ARG A 69 8.778 1.816 5.336 1.00 0.00 N ATOM 1101 CZ ARG A 69 9.123 1.398 6.526 1.00 0.00 C ATOM 1102 NH1 ARG A 69 9.470 0.157 6.716 1.00 0.00 N ATOM 1103 NH2 ARG A 69 9.090 2.223 7.536 1.00 0.00 N ATOM 0 H ARG A 69 11.336 -1.784 1.537 1.00 0.00 H new ATOM 0 HA ARG A 69 12.306 -1.269 4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.596 -1.465 2.953 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.713 -1.651 4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.879 0.567 4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.784 0.751 3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.614 1.504 3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.121 0.131 4.201 1.00 0.00 H new ATOM 0 HE ARG A 69 8.443 2.773 5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.474 -0.497 5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.738 -0.161 7.648 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.796 3.190 7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.358 1.901 8.466 1.00 0.00 H new ATOM 1117 N TYR A 70 11.609 -4.173 3.084 1.00 0.00 N ATOM 1118 CA TYR A 70 11.592 -5.648 3.386 1.00 0.00 C ATOM 1119 C TYR A 70 12.879 -6.283 2.850 1.00 0.00 C ATOM 1120 O TYR A 70 13.946 -6.106 3.400 1.00 0.00 O ATOM 1121 CB TYR A 70 10.387 -6.306 2.698 1.00 0.00 C ATOM 1122 CG TYR A 70 9.103 -5.912 3.394 1.00 0.00 C ATOM 1123 CD1 TYR A 70 8.880 -6.276 4.738 1.00 0.00 C ATOM 1124 CD2 TYR A 70 8.124 -5.181 2.697 1.00 0.00 C ATOM 1125 CE1 TYR A 70 7.681 -5.906 5.379 1.00 0.00 C ATOM 1126 CE2 TYR A 70 6.926 -4.811 3.336 1.00 0.00 C ATOM 1127 CZ TYR A 70 6.704 -5.173 4.678 1.00 0.00 C ATOM 1128 OH TYR A 70 5.528 -4.810 5.303 1.00 0.00 O ATOM 0 H TYR A 70 11.639 -3.940 2.091 1.00 0.00 H new ATOM 0 HA TYR A 70 11.520 -5.795 4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.348 -6.004 1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.499 -7.390 2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.628 -6.839 5.276 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.292 -4.903 1.667 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.511 -6.185 6.409 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.177 -4.250 2.797 1.00 0.00 H new ATOM 0 HH TYR A 70 5.267 -3.912 5.012 1.00 0.00 H new ATOM 1138 N GLN A 71 12.782 -7.029 1.785 1.00 0.00 N ATOM 1139 CA GLN A 71 13.995 -7.680 1.216 1.00 0.00 C ATOM 1140 C GLN A 71 13.726 -8.026 -0.253 1.00 0.00 C ATOM 1141 O GLN A 71 13.754 -7.166 -1.110 1.00 0.00 O ATOM 1142 CB GLN A 71 14.310 -8.948 2.021 1.00 0.00 C ATOM 1143 CG GLN A 71 15.646 -9.541 1.562 1.00 0.00 C ATOM 1144 CD GLN A 71 16.793 -8.685 2.101 1.00 0.00 C ATOM 1145 OE1 GLN A 71 17.015 -8.630 3.294 1.00 0.00 O ATOM 1146 NE2 GLN A 71 17.535 -8.009 1.268 1.00 0.00 N ATOM 0 H GLN A 71 11.914 -7.216 1.283 1.00 0.00 H new ATOM 0 HA GLN A 71 14.852 -7.008 1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.353 -8.712 3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.513 -9.680 1.889 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.743 -10.566 1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.685 -9.578 0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.349 -8.055 0.266 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.301 -7.434 1.618 1.00 0.00 H new ATOM 1155 N ALA A 72 13.455 -9.269 -0.555 1.00 0.00 N ATOM 1156 CA ALA A 72 13.175 -9.652 -1.971 1.00 0.00 C ATOM 1157 C ALA A 72 12.178 -10.810 -1.989 1.00 0.00 C ATOM 1158 O ALA A 72 11.325 -10.891 -2.851 1.00 0.00 O ATOM 1159 CB ALA A 72 14.474 -10.080 -2.657 1.00 0.00 C ATOM 0 H ALA A 72 13.415 -10.035 0.117 1.00 0.00 H new ATOM 0 HA ALA A 72 12.755 -8.799 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.265 -10.359 -3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 72 15.184 -9.253 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 72 14.900 -10.934 -2.130 1.00 0.00 H new ATOM 1165 N GLY A 73 12.281 -11.707 -1.038 1.00 0.00 N ATOM 1166 CA GLY A 73 11.345 -12.875 -0.976 1.00 0.00 C ATOM 1167 C GLY A 73 12.117 -14.162 -1.273 1.00 0.00 C ATOM 1168 O GLY A 73 12.210 -14.595 -2.403 1.00 0.00 O ATOM 0 H GLY A 73 12.980 -11.680 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.884 -12.934 0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.538 -12.747 -1.698 1.00 0.00 H new ATOM 1172 N GLU A 74 12.675 -14.778 -0.262 1.00 0.00 N ATOM 1173 CA GLU A 74 13.445 -16.041 -0.481 1.00 0.00 C ATOM 1174 C GLU A 74 13.253 -16.965 0.724 1.00 0.00 C ATOM 1175 O GLU A 74 12.767 -16.493 1.738 1.00 0.00 O ATOM 1176 CB GLU A 74 14.931 -15.713 -0.639 1.00 0.00 C ATOM 1177 CG GLU A 74 15.411 -14.907 0.568 1.00 0.00 C ATOM 1178 CD GLU A 74 16.876 -14.511 0.369 1.00 0.00 C ATOM 1179 OE1 GLU A 74 17.304 -14.454 -0.772 1.00 0.00 O ATOM 1180 OE2 GLU A 74 17.545 -14.271 1.361 1.00 0.00 O ATOM 1181 OXT GLU A 74 13.593 -18.131 0.608 1.00 0.00 O ATOM 0 H GLU A 74 12.631 -14.461 0.707 1.00 0.00 H new ATOM 0 HA GLU A 74 13.085 -16.536 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.509 -16.633 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.093 -15.145 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.796 -14.016 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.303 -15.497 1.478 1.00 0.00 H new TER 1188 GLU A 74