USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 607 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 61 GLN :FLIP amide:sc= -0.0595 F(o=-16,f=-13) USER MOD Set 1.2: A 64 HIS : no HE2:sc= -13.4! C(o=-13!,f=-19!) USER MOD Set 2.1: A 27 ASN :FLIP amide:sc= -3.18 F(o=-5.9,f=-3.2) USER MOD Set 2.2: A 38 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.674) USER MOD Single : A 2 SER OG : rot -25:sc= 0.46 USER MOD Single : A 3 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=-0.073) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 13 MET CE :methyl -162:sc= -3.38 (180deg=-5.2!) USER MOD Single : A 17 ASN : amide:sc=-0.00443 K(o=-0.0044,f=-2.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.195 USER MOD Single : A 24 LYS NZ :NH3+ 145:sc= -0.368 (180deg=-1.77!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 160:sc= -2.05 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -177:sc= -3.16! (180deg=-3.35!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.046 (180deg=-0.278) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0.0915 (180deg=0.0875) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -113:sc= 0.495 (180deg=-0.0666) USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= -0.307 (180deg=-0.38) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -105:sc= -9.39! (180deg=-19.9!) USER MOD Single : A 69 ASN :FLIP amide:sc= 0.333 F(o=-1.3,f=0.33) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -1.729 -21.140 13.346 1.00 0.00 N ATOM 2 CA SER A 2 -3.159 -20.854 13.343 1.00 0.00 C ATOM 3 C SER A 2 -3.415 -19.354 13.234 1.00 0.00 C ATOM 4 O SER A 2 -2.742 -18.551 13.880 1.00 0.00 O ATOM 5 CB SER A 2 -3.811 -21.404 14.613 1.00 0.00 C ATOM 6 OG SER A 2 -2.934 -21.305 15.722 1.00 0.00 O ATOM 0 HA SER A 2 -3.600 -21.342 12.474 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.729 -20.854 14.821 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.091 -22.446 14.459 1.00 0.00 H new ATOM 0 HG SER A 2 -2.007 -21.288 15.405 1.00 0.00 H new ATOM 12 N HIS A 3 -4.391 -18.985 12.412 1.00 0.00 N ATOM 13 CA HIS A 3 -4.736 -17.581 12.219 1.00 0.00 C ATOM 14 C HIS A 3 -5.193 -16.946 13.528 1.00 0.00 C ATOM 15 O HIS A 3 -4.456 -16.177 14.147 1.00 0.00 O ATOM 16 CB HIS A 3 -5.834 -17.445 11.162 1.00 0.00 C ATOM 17 CG HIS A 3 -5.315 -17.429 9.758 1.00 0.00 C ATOM 18 ND1 HIS A 3 -4.092 -17.956 9.401 1.00 0.00 N ATOM 19 CD2 HIS A 3 -5.861 -16.946 8.617 1.00 0.00 C ATOM 20 CE1 HIS A 3 -3.908 -17.799 8.102 1.00 0.00 C ATOM 21 NE2 HIS A 3 -4.968 -17.189 7.604 1.00 0.00 N ATOM 0 H HIS A 3 -4.957 -19.637 11.869 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.843 -17.058 11.876 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.537 -18.271 11.271 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.391 -16.526 11.345 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.821 -16.460 8.522 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.040 -18.115 7.543 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -5.101 -16.939 6.624 1.00 0.00 H new ATOM 30 N MET A 4 -6.411 -17.273 13.944 1.00 0.00 N ATOM 31 CA MET A 4 -6.966 -16.734 15.181 1.00 0.00 C ATOM 32 C MET A 4 -7.052 -15.211 15.123 1.00 0.00 C ATOM 33 O MET A 4 -6.412 -14.577 14.283 1.00 0.00 O ATOM 34 CB MET A 4 -6.113 -17.164 16.377 1.00 0.00 C ATOM 35 CG MET A 4 -6.577 -18.459 17.022 1.00 0.00 C ATOM 36 SD MET A 4 -5.248 -19.325 17.879 1.00 0.00 S ATOM 37 CE MET A 4 -5.291 -18.515 19.476 1.00 0.00 C ATOM 0 H MET A 4 -7.033 -17.908 13.444 1.00 0.00 H new ATOM 0 HA MET A 4 -7.974 -17.131 15.300 1.00 0.00 H new ATOM 0 HB2 MET A 4 -5.079 -17.280 16.052 1.00 0.00 H new ATOM 0 HB3 MET A 4 -6.125 -16.371 17.125 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.378 -18.242 17.728 1.00 0.00 H new ATOM 0 HG3 MET A 4 -6.996 -19.112 16.256 1.00 0.00 H new ATOM 0 HE1 MET A 4 -4.524 -18.942 20.122 1.00 0.00 H new ATOM 0 HE2 MET A 4 -5.105 -17.449 19.348 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.271 -18.660 19.931 1.00 0.00 H new ATOM 47 N PRO A 5 -7.847 -14.602 16.019 1.00 0.00 N ATOM 48 CA PRO A 5 -8.014 -13.146 16.067 1.00 0.00 C ATOM 49 C PRO A 5 -6.694 -12.421 16.313 1.00 0.00 C ATOM 50 O PRO A 5 -6.087 -12.566 17.373 1.00 0.00 O ATOM 51 CB PRO A 5 -8.974 -12.923 17.248 1.00 0.00 C ATOM 52 CG PRO A 5 -8.921 -14.185 18.040 1.00 0.00 C ATOM 53 CD PRO A 5 -8.642 -15.282 17.054 1.00 0.00 C ATOM 0 HA PRO A 5 -8.388 -12.753 15.122 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.666 -12.068 17.849 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.986 -12.719 16.899 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.141 -14.136 18.800 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.863 -14.359 18.560 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -8.091 -16.105 17.510 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.562 -15.702 16.646 1.00 0.00 H new ATOM 61 N LYS A 6 -6.257 -11.634 15.331 1.00 0.00 N ATOM 62 CA LYS A 6 -5.018 -10.886 15.449 1.00 0.00 C ATOM 63 C LYS A 6 -5.155 -9.814 16.524 1.00 0.00 C ATOM 64 O LYS A 6 -5.737 -10.059 17.581 1.00 0.00 O ATOM 65 CB LYS A 6 -4.658 -10.264 14.094 1.00 0.00 C ATOM 66 CG LYS A 6 -4.806 -11.225 12.925 1.00 0.00 C ATOM 67 CD LYS A 6 -3.756 -10.968 11.856 1.00 0.00 C ATOM 68 CE LYS A 6 -2.573 -11.910 11.999 1.00 0.00 C ATOM 69 NZ LYS A 6 -2.027 -12.322 10.676 1.00 0.00 N ATOM 0 H LYS A 6 -6.747 -11.501 14.446 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.214 -11.560 15.744 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.293 -9.395 13.922 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.630 -9.905 14.130 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.719 -12.251 13.283 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.801 -11.122 12.492 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.203 -11.090 10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.411 -9.936 11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.789 -11.423 12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.879 -12.795 12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.221 -12.964 10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.767 -12.810 10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.711 -11.480 10.154 1.00 0.00 H new ATOM 83 N ARG A 7 -4.622 -8.633 16.257 1.00 0.00 N ATOM 84 CA ARG A 7 -4.699 -7.542 17.218 1.00 0.00 C ATOM 85 C ARG A 7 -4.603 -6.170 16.545 1.00 0.00 C ATOM 86 O ARG A 7 -4.028 -5.238 17.106 1.00 0.00 O ATOM 87 CB ARG A 7 -3.613 -7.694 18.288 1.00 0.00 C ATOM 88 CG ARG A 7 -4.173 -7.928 19.686 1.00 0.00 C ATOM 89 CD ARG A 7 -4.411 -6.615 20.414 1.00 0.00 C ATOM 90 NE ARG A 7 -3.213 -6.146 21.104 1.00 0.00 N ATOM 91 CZ ARG A 7 -2.667 -6.766 22.148 1.00 0.00 C ATOM 92 NH1 ARG A 7 -3.209 -7.881 22.623 1.00 0.00 N ATOM 93 NH2 ARG A 7 -1.575 -6.272 22.716 1.00 0.00 N ATOM 0 H ARG A 7 -4.135 -8.405 15.390 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.678 -7.598 17.694 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.963 -8.527 18.020 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.994 -6.797 18.298 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.109 -8.482 19.617 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.480 -8.543 20.259 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.737 -5.859 19.700 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.218 -6.742 21.135 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.768 -5.293 20.766 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.047 -8.266 22.188 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.787 -8.353 23.423 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.154 -5.417 22.353 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.157 -6.747 23.516 1.00 0.00 H new ATOM 107 N ALA A 8 -5.207 -6.047 15.358 1.00 0.00 N ATOM 108 CA ALA A 8 -5.242 -4.782 14.611 1.00 0.00 C ATOM 109 C ALA A 8 -4.038 -4.573 13.697 1.00 0.00 C ATOM 110 O ALA A 8 -3.063 -5.324 13.731 1.00 0.00 O ATOM 111 CB ALA A 8 -5.403 -3.601 15.553 1.00 0.00 C ATOM 0 H ALA A 8 -5.684 -6.817 14.889 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.113 -4.848 13.959 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.426 -2.676 14.976 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.334 -3.705 16.110 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.565 -3.574 16.249 1.00 0.00 H new ATOM 117 N THR A 9 -4.150 -3.539 12.861 1.00 0.00 N ATOM 118 CA THR A 9 -3.122 -3.181 11.886 1.00 0.00 C ATOM 119 C THR A 9 -2.539 -1.793 12.176 1.00 0.00 C ATOM 120 O THR A 9 -3.265 -0.874 12.543 1.00 0.00 O ATOM 121 CB THR A 9 -3.744 -3.190 10.489 1.00 0.00 C ATOM 122 OG1 THR A 9 -4.942 -3.945 10.477 1.00 0.00 O ATOM 123 CG2 THR A 9 -2.839 -3.761 9.429 1.00 0.00 C ATOM 0 H THR A 9 -4.963 -2.923 12.843 1.00 0.00 H new ATOM 0 HA THR A 9 -2.312 -3.907 11.949 1.00 0.00 H new ATOM 0 HB THR A 9 -3.931 -2.142 10.256 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.325 -3.937 9.575 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.347 -3.735 8.465 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.925 -3.170 9.374 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.590 -4.792 9.680 1.00 0.00 H new ATOM 131 N THR A 10 -1.228 -1.649 11.999 1.00 0.00 N ATOM 132 CA THR A 10 -0.550 -0.381 12.228 1.00 0.00 C ATOM 133 C THR A 10 -0.943 0.607 11.164 1.00 0.00 C ATOM 134 O THR A 10 -1.272 0.218 10.042 1.00 0.00 O ATOM 135 CB THR A 10 0.967 -0.579 12.224 1.00 0.00 C ATOM 136 OG1 THR A 10 1.329 -1.647 11.368 1.00 0.00 O ATOM 137 CG2 THR A 10 1.536 -0.875 13.595 1.00 0.00 C ATOM 0 H THR A 10 -0.612 -2.403 11.695 1.00 0.00 H new ATOM 0 HA THR A 10 -0.848 0.005 13.203 1.00 0.00 H new ATOM 0 HB THR A 10 1.382 0.366 11.874 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.303 -1.758 11.377 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.616 -1.004 13.521 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.315 -0.046 14.267 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.087 -1.788 13.986 1.00 0.00 H new ATOM 145 N ALA A 11 -0.896 1.889 11.500 1.00 0.00 N ATOM 146 CA ALA A 11 -1.234 2.913 10.544 1.00 0.00 C ATOM 147 C ALA A 11 -0.545 2.602 9.231 1.00 0.00 C ATOM 148 O ALA A 11 -1.139 2.688 8.156 1.00 0.00 O ATOM 149 CB ALA A 11 -0.812 4.268 11.072 1.00 0.00 C ATOM 0 H ALA A 11 -0.628 2.234 12.422 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.312 2.936 10.382 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.070 5.038 10.345 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.327 4.469 12.012 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.265 4.274 11.240 1.00 0.00 H new ATOM 155 N PHE A 12 0.727 2.242 9.343 1.00 0.00 N ATOM 156 CA PHE A 12 1.556 1.916 8.189 1.00 0.00 C ATOM 157 C PHE A 12 1.097 0.646 7.490 1.00 0.00 C ATOM 158 O PHE A 12 1.187 0.528 6.271 1.00 0.00 O ATOM 159 CB PHE A 12 2.997 1.721 8.649 1.00 0.00 C ATOM 160 CG PHE A 12 3.995 1.725 7.528 1.00 0.00 C ATOM 161 CD1 PHE A 12 4.038 0.679 6.621 1.00 0.00 C ATOM 162 CD2 PHE A 12 4.891 2.772 7.380 1.00 0.00 C ATOM 163 CE1 PHE A 12 4.954 0.675 5.588 1.00 0.00 C ATOM 164 CE2 PHE A 12 5.810 2.774 6.348 1.00 0.00 C ATOM 165 CZ PHE A 12 5.842 1.724 5.451 1.00 0.00 C ATOM 0 H PHE A 12 1.214 2.168 10.236 1.00 0.00 H new ATOM 0 HA PHE A 12 1.473 2.741 7.482 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.254 2.511 9.355 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.072 0.776 9.187 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.346 -0.144 6.723 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.871 3.595 8.079 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.976 -0.147 4.888 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.503 3.596 6.243 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.560 1.723 4.644 1.00 0.00 H new ATOM 175 N MET A 13 0.640 -0.319 8.267 1.00 0.00 N ATOM 176 CA MET A 13 0.211 -1.578 7.710 1.00 0.00 C ATOM 177 C MET A 13 -1.135 -1.422 7.044 1.00 0.00 C ATOM 178 O MET A 13 -1.290 -1.715 5.859 1.00 0.00 O ATOM 179 CB MET A 13 0.147 -2.649 8.798 1.00 0.00 C ATOM 180 CG MET A 13 1.454 -3.405 8.989 1.00 0.00 C ATOM 181 SD MET A 13 2.027 -4.219 7.482 1.00 0.00 S ATOM 182 CE MET A 13 0.483 -4.465 6.605 1.00 0.00 C ATOM 0 H MET A 13 0.558 -0.251 9.281 1.00 0.00 H new ATOM 0 HA MET A 13 0.937 -1.892 6.960 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.132 -2.180 9.741 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.641 -3.360 8.550 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.221 -2.712 9.335 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.324 -4.152 9.772 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.620 -5.220 5.831 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.284 -4.798 7.305 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.172 -3.527 6.145 1.00 0.00 H new ATOM 192 N LEU A 14 -2.120 -0.988 7.815 1.00 0.00 N ATOM 193 CA LEU A 14 -3.459 -0.833 7.295 1.00 0.00 C ATOM 194 C LEU A 14 -3.486 0.021 6.037 1.00 0.00 C ATOM 195 O LEU A 14 -4.313 -0.203 5.150 1.00 0.00 O ATOM 196 CB LEU A 14 -4.404 -0.341 8.419 1.00 0.00 C ATOM 197 CG LEU A 14 -4.977 1.101 8.413 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.584 1.814 9.686 1.00 0.00 C ATOM 199 CD2 LEU A 14 -4.554 1.961 7.241 1.00 0.00 C ATOM 0 H LEU A 14 -2.013 -0.739 8.798 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.835 -1.803 6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.255 -1.022 8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.871 -0.468 9.361 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.056 0.970 8.327 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.989 2.826 9.676 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.982 1.272 10.544 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.497 1.859 9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.008 2.948 7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.469 2.060 7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.881 1.495 6.311 1.00 0.00 H new ATOM 211 N TRP A 15 -2.576 0.988 5.940 1.00 0.00 N ATOM 212 CA TRP A 15 -2.525 1.840 4.763 1.00 0.00 C ATOM 213 C TRP A 15 -1.772 1.123 3.675 1.00 0.00 C ATOM 214 O TRP A 15 -2.202 1.083 2.526 1.00 0.00 O ATOM 215 CB TRP A 15 -1.858 3.189 5.056 1.00 0.00 C ATOM 216 CG TRP A 15 -1.086 3.726 3.883 1.00 0.00 C ATOM 217 CD1 TRP A 15 -1.512 4.632 2.953 1.00 0.00 C ATOM 218 CD2 TRP A 15 0.248 3.370 3.510 1.00 0.00 C ATOM 219 NE1 TRP A 15 -0.521 4.858 2.024 1.00 0.00 N ATOM 220 CE2 TRP A 15 0.571 4.092 2.346 1.00 0.00 C ATOM 221 CE3 TRP A 15 1.205 2.509 4.050 1.00 0.00 C ATOM 222 CZ2 TRP A 15 1.815 3.966 1.723 1.00 0.00 C ATOM 223 CZ3 TRP A 15 2.425 2.397 3.420 1.00 0.00 C ATOM 224 CH2 TRP A 15 2.708 3.118 2.282 1.00 0.00 C ATOM 0 H TRP A 15 -1.876 1.196 6.652 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.548 2.047 4.448 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.622 3.912 5.344 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.186 3.079 5.907 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.484 5.102 2.947 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.588 5.491 1.227 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.993 1.942 4.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.054 4.524 0.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.173 1.732 3.826 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.677 3.002 1.819 1.00 0.00 H new ATOM 235 N LEU A 16 -0.657 0.518 4.055 1.00 0.00 N ATOM 236 CA LEU A 16 0.122 -0.231 3.102 1.00 0.00 C ATOM 237 C LEU A 16 -0.704 -1.385 2.594 1.00 0.00 C ATOM 238 O LEU A 16 -0.414 -1.958 1.571 1.00 0.00 O ATOM 239 CB LEU A 16 1.410 -0.774 3.703 1.00 0.00 C ATOM 240 CG LEU A 16 2.249 -1.565 2.702 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.769 -0.638 1.629 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.401 -2.277 3.393 1.00 0.00 C ATOM 0 H LEU A 16 -0.282 0.534 5.003 1.00 0.00 H new ATOM 0 HA LEU A 16 0.394 0.447 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.002 0.056 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.167 -1.414 4.551 1.00 0.00 H new ATOM 0 HG LEU A 16 1.616 -2.325 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.367 -1.206 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.930 -0.175 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.386 0.136 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.981 -2.832 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.042 -1.543 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.007 -2.967 4.139 1.00 0.00 H new ATOM 254 N ASN A 17 -1.745 -1.720 3.315 1.00 0.00 N ATOM 255 CA ASN A 17 -2.614 -2.799 2.938 1.00 0.00 C ATOM 256 C ASN A 17 -3.469 -2.394 1.741 1.00 0.00 C ATOM 257 O ASN A 17 -3.451 -3.015 0.648 1.00 0.00 O ATOM 258 CB ASN A 17 -3.522 -3.091 4.148 1.00 0.00 C ATOM 259 CG ASN A 17 -3.498 -4.540 4.582 1.00 0.00 C ATOM 260 OD1 ASN A 17 -3.275 -5.443 3.777 1.00 0.00 O ATOM 261 ND2 ASN A 17 -3.730 -4.760 5.871 1.00 0.00 N ATOM 0 H ASN A 17 -2.011 -1.250 4.180 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.035 -3.679 2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.213 -2.464 4.984 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.546 -2.811 3.901 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.728 -5.713 6.234 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.910 -3.976 6.498 1.00 0.00 H new ATOM 268 N ASP A 18 -4.128 -1.267 1.942 1.00 0.00 N ATOM 269 CA ASP A 18 -4.968 -0.680 0.936 1.00 0.00 C ATOM 270 C ASP A 18 -4.141 -0.057 -0.156 1.00 0.00 C ATOM 271 O ASP A 18 -4.588 0.047 -1.298 1.00 0.00 O ATOM 272 CB ASP A 18 -5.902 0.360 1.554 1.00 0.00 C ATOM 273 CG ASP A 18 -7.348 0.153 1.150 1.00 0.00 C ATOM 274 OD1 ASP A 18 -7.663 0.338 -0.045 1.00 0.00 O ATOM 275 OD2 ASP A 18 -8.166 -0.195 2.027 1.00 0.00 O ATOM 0 H ASP A 18 -4.090 -0.738 2.813 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.573 -1.473 0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.822 0.316 2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.582 1.357 1.251 1.00 0.00 H new ATOM 280 N THR A 19 -2.936 0.373 0.183 1.00 0.00 N ATOM 281 CA THR A 19 -2.069 0.997 -0.780 1.00 0.00 C ATOM 282 C THR A 19 -0.994 0.043 -1.276 1.00 0.00 C ATOM 283 O THR A 19 -0.492 0.237 -2.367 1.00 0.00 O ATOM 284 CB THR A 19 -1.445 2.227 -0.148 1.00 0.00 C ATOM 285 OG1 THR A 19 -1.943 3.412 -0.744 1.00 0.00 O ATOM 286 CG2 THR A 19 0.063 2.276 -0.213 1.00 0.00 C ATOM 0 H THR A 19 -2.544 0.297 1.121 1.00 0.00 H new ATOM 0 HA THR A 19 -2.659 1.284 -1.650 1.00 0.00 H new ATOM 0 HB THR A 19 -1.726 2.158 0.903 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.528 4.191 -0.319 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.418 3.190 0.263 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.478 1.412 0.306 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.383 2.262 -1.255 1.00 0.00 H new ATOM 294 N ARG A 20 -0.649 -0.999 -0.507 1.00 0.00 N ATOM 295 CA ARG A 20 0.361 -1.949 -0.983 1.00 0.00 C ATOM 296 C ARG A 20 -0.121 -2.466 -2.293 1.00 0.00 C ATOM 297 O ARG A 20 0.646 -2.671 -3.234 1.00 0.00 O ATOM 298 CB ARG A 20 0.589 -3.138 -0.052 1.00 0.00 C ATOM 299 CG ARG A 20 -0.548 -4.136 -0.073 1.00 0.00 C ATOM 300 CD ARG A 20 -0.573 -4.966 1.192 1.00 0.00 C ATOM 301 NE ARG A 20 0.031 -6.282 0.999 1.00 0.00 N ATOM 302 CZ ARG A 20 -0.179 -7.321 1.805 1.00 0.00 C ATOM 303 NH1 ARG A 20 -0.975 -7.200 2.860 1.00 0.00 N ATOM 304 NH2 ARG A 20 0.410 -8.482 1.555 1.00 0.00 N ATOM 0 H ARG A 20 -1.039 -1.200 0.414 1.00 0.00 H new ATOM 0 HA ARG A 20 1.313 -1.422 -1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.512 -3.642 -0.336 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.726 -2.773 0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.496 -3.609 -0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.444 -4.791 -0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.042 -4.436 1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.604 -5.086 1.526 1.00 0.00 H new ATOM 0 HE ARG A 20 0.650 -6.413 0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.429 -6.308 3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.133 -7.999 3.474 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.023 -8.579 0.746 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.250 -9.278 2.172 1.00 0.00 H new ATOM 318 N GLU A 21 -1.431 -2.617 -2.358 1.00 0.00 N ATOM 319 CA GLU A 21 -2.034 -3.052 -3.605 1.00 0.00 C ATOM 320 C GLU A 21 -1.746 -1.972 -4.654 1.00 0.00 C ATOM 321 O GLU A 21 -1.449 -2.251 -5.820 1.00 0.00 O ATOM 322 CB GLU A 21 -3.544 -3.276 -3.422 1.00 0.00 C ATOM 323 CG GLU A 21 -4.407 -2.700 -4.533 1.00 0.00 C ATOM 324 CD GLU A 21 -5.784 -3.332 -4.591 1.00 0.00 C ATOM 325 OE1 GLU A 21 -5.902 -4.447 -5.142 1.00 0.00 O ATOM 326 OE2 GLU A 21 -6.743 -2.714 -4.084 1.00 0.00 O ATOM 0 H GLU A 21 -2.081 -2.451 -1.589 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.614 -4.004 -3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.733 -4.347 -3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.852 -2.834 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.511 -1.625 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.905 -2.844 -5.490 1.00 0.00 H new ATOM 333 N SER A 22 -1.869 -0.731 -4.196 1.00 0.00 N ATOM 334 CA SER A 22 -1.665 0.438 -5.040 1.00 0.00 C ATOM 335 C SER A 22 -0.200 0.606 -5.429 1.00 0.00 C ATOM 336 O SER A 22 0.128 1.342 -6.359 1.00 0.00 O ATOM 337 CB SER A 22 -2.164 1.697 -4.330 1.00 0.00 C ATOM 338 OG SER A 22 -3.507 1.545 -3.905 1.00 0.00 O ATOM 0 H SER A 22 -2.113 -0.509 -3.231 1.00 0.00 H new ATOM 0 HA SER A 22 -2.238 0.286 -5.955 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.529 1.909 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.087 2.552 -5.002 1.00 0.00 H new ATOM 0 HG SER A 22 -3.801 2.363 -3.453 1.00 0.00 H new ATOM 344 N ILE A 23 0.672 -0.059 -4.691 1.00 0.00 N ATOM 345 CA ILE A 23 2.099 0.034 -4.930 1.00 0.00 C ATOM 346 C ILE A 23 2.538 -0.915 -6.020 1.00 0.00 C ATOM 347 O ILE A 23 3.327 -0.549 -6.891 1.00 0.00 O ATOM 348 CB ILE A 23 2.896 -0.264 -3.661 1.00 0.00 C ATOM 349 CG1 ILE A 23 2.205 0.377 -2.461 1.00 0.00 C ATOM 350 CG2 ILE A 23 4.328 0.225 -3.816 1.00 0.00 C ATOM 351 CD1 ILE A 23 3.130 0.782 -1.333 1.00 0.00 C ATOM 0 H ILE A 23 0.413 -0.672 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 23 2.297 1.058 -5.246 1.00 0.00 H new ATOM 0 HB ILE A 23 2.934 -1.340 -3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.663 1.259 -2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.465 -0.321 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.887 0.008 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.796 -0.282 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.328 1.300 -3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.547 1.228 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.654 -0.097 -0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.856 1.508 -1.700 1.00 0.00 H new ATOM 363 N LYS A 24 2.026 -2.136 -5.979 1.00 0.00 N ATOM 364 CA LYS A 24 2.390 -3.107 -6.987 1.00 0.00 C ATOM 365 C LYS A 24 1.864 -2.663 -8.346 1.00 0.00 C ATOM 366 O LYS A 24 2.474 -2.936 -9.378 1.00 0.00 O ATOM 367 CB LYS A 24 1.885 -4.501 -6.631 1.00 0.00 C ATOM 368 CG LYS A 24 2.935 -5.584 -6.819 1.00 0.00 C ATOM 369 CD LYS A 24 3.721 -5.830 -5.539 1.00 0.00 C ATOM 370 CE LYS A 24 3.422 -7.205 -4.959 1.00 0.00 C ATOM 371 NZ LYS A 24 3.442 -8.267 -6.003 1.00 0.00 N ATOM 0 H LYS A 24 1.371 -2.469 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 24 3.478 -3.164 -7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.550 -4.505 -5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.017 -4.734 -7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.452 -6.509 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.619 -5.294 -7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.788 -5.744 -5.743 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.474 -5.063 -4.805 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.156 -7.441 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.445 -7.190 -4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.821 -9.146 -5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.475 -8.433 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.044 -7.964 -6.795 1.00 0.00 H new ATOM 385 N ARG A 25 0.745 -1.938 -8.339 1.00 0.00 N ATOM 386 CA ARG A 25 0.179 -1.419 -9.580 1.00 0.00 C ATOM 387 C ARG A 25 1.074 -0.288 -10.078 1.00 0.00 C ATOM 388 O ARG A 25 1.374 -0.178 -11.267 1.00 0.00 O ATOM 389 CB ARG A 25 -1.246 -0.910 -9.354 1.00 0.00 C ATOM 390 CG ARG A 25 -2.309 -1.983 -9.521 1.00 0.00 C ATOM 391 CD ARG A 25 -3.468 -1.775 -8.561 1.00 0.00 C ATOM 392 NE ARG A 25 -4.258 -0.594 -8.902 1.00 0.00 N ATOM 393 CZ ARG A 25 -5.475 -0.352 -8.422 1.00 0.00 C ATOM 394 NH1 ARG A 25 -6.046 -1.206 -7.580 1.00 0.00 N ATOM 395 NH2 ARG A 25 -6.124 0.747 -8.783 1.00 0.00 N ATOM 0 H ARG A 25 0.219 -1.700 -7.498 1.00 0.00 H new ATOM 0 HA ARG A 25 0.131 -2.214 -10.324 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.318 -0.492 -8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.448 -0.098 -10.053 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.679 -1.973 -10.546 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.866 -2.964 -9.351 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.110 -2.656 -8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.084 -1.673 -7.546 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.852 0.085 -9.546 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.551 -2.052 -7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.979 -1.015 -7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.690 1.407 -9.429 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.057 0.932 -8.415 1.00 0.00 H new ATOM 409 N GLU A 26 1.515 0.527 -9.125 1.00 0.00 N ATOM 410 CA GLU A 26 2.408 1.641 -9.402 1.00 0.00 C ATOM 411 C GLU A 26 3.751 1.104 -9.879 1.00 0.00 C ATOM 412 O GLU A 26 4.564 1.831 -10.448 1.00 0.00 O ATOM 413 CB GLU A 26 2.597 2.504 -8.153 1.00 0.00 C ATOM 414 CG GLU A 26 1.374 3.335 -7.797 1.00 0.00 C ATOM 415 CD GLU A 26 1.485 4.769 -8.276 1.00 0.00 C ATOM 416 OE1 GLU A 26 2.210 5.556 -7.633 1.00 0.00 O ATOM 417 OE2 GLU A 26 0.846 5.105 -9.297 1.00 0.00 O ATOM 0 H GLU A 26 1.263 0.432 -8.141 1.00 0.00 H new ATOM 0 HA GLU A 26 1.968 2.264 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.846 1.859 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.446 3.170 -8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.488 2.877 -8.236 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.235 3.326 -6.716 1.00 0.00 H new ATOM 424 N ASN A 27 3.957 -0.194 -9.657 1.00 0.00 N ATOM 425 CA ASN A 27 5.171 -0.866 -10.070 1.00 0.00 C ATOM 426 C ASN A 27 4.899 -2.357 -10.236 1.00 0.00 C ATOM 427 O ASN A 27 5.271 -3.164 -9.384 1.00 0.00 O ATOM 428 CB ASN A 27 6.292 -0.630 -9.060 1.00 0.00 C ATOM 429 CG ASN A 27 6.601 0.843 -8.874 1.00 0.00 C ATOM 430 OD1 ASN A 27 5.846 1.501 -8.003 1.00 0.00 O flip ATOM 431 ND2 ASN A 27 7.510 1.383 -9.506 1.00 0.00 N flip ATOM 0 H ASN A 27 3.285 -0.800 -9.187 1.00 0.00 H new ATOM 0 HA ASN A 27 5.494 -0.456 -11.027 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.010 -1.063 -8.100 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.192 -1.148 -9.392 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.066 0.839 -10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.707 2.374 -9.369 1.00 0.00 H new ATOM 438 N PRO A 28 4.217 -2.739 -11.334 1.00 0.00 N ATOM 439 CA PRO A 28 3.860 -4.138 -11.615 1.00 0.00 C ATOM 440 C PRO A 28 5.070 -5.023 -11.895 1.00 0.00 C ATOM 441 O PRO A 28 5.112 -5.735 -12.899 1.00 0.00 O ATOM 442 CB PRO A 28 2.971 -4.046 -12.864 1.00 0.00 C ATOM 443 CG PRO A 28 2.579 -2.610 -12.970 1.00 0.00 C ATOM 444 CD PRO A 28 3.716 -1.833 -12.377 1.00 0.00 C ATOM 0 HA PRO A 28 3.372 -4.597 -10.755 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.509 -4.372 -13.754 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.094 -4.686 -12.769 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.411 -2.326 -14.009 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.651 -2.417 -12.432 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.482 -1.606 -13.119 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.383 -0.882 -11.962 1.00 0.00 H new ATOM 452 N GLY A 29 6.051 -4.979 -11.002 1.00 0.00 N ATOM 453 CA GLY A 29 7.244 -5.784 -11.171 1.00 0.00 C ATOM 454 C GLY A 29 8.163 -5.730 -9.963 1.00 0.00 C ATOM 455 O GLY A 29 9.308 -6.178 -10.035 1.00 0.00 O ATOM 0 H GLY A 29 6.041 -4.399 -10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.956 -6.819 -11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.787 -5.441 -12.051 1.00 0.00 H new ATOM 459 N ILE A 30 7.672 -5.183 -8.851 1.00 0.00 N ATOM 460 CA ILE A 30 8.470 -5.082 -7.650 1.00 0.00 C ATOM 461 C ILE A 30 8.435 -6.380 -6.859 1.00 0.00 C ATOM 462 O ILE A 30 8.337 -7.469 -7.425 1.00 0.00 O ATOM 463 CB ILE A 30 8.008 -3.904 -6.759 1.00 0.00 C ATOM 464 CG1 ILE A 30 6.673 -4.205 -6.054 1.00 0.00 C ATOM 465 CG2 ILE A 30 7.893 -2.652 -7.594 1.00 0.00 C ATOM 466 CD1 ILE A 30 6.077 -3.006 -5.340 1.00 0.00 C ATOM 0 H ILE A 30 6.728 -4.807 -8.766 1.00 0.00 H new ATOM 0 HA ILE A 30 9.497 -4.891 -7.962 1.00 0.00 H new ATOM 0 HB ILE A 30 8.756 -3.756 -5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.958 -4.571 -6.791 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.826 -5.007 -5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.568 -1.824 -6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.863 -2.416 -8.031 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.165 -2.811 -8.390 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.138 -3.294 -4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.773 -2.652 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.891 -2.209 -6.060 1.00 0.00 H new ATOM 478 N LYS A 31 8.533 -6.251 -5.552 1.00 0.00 N ATOM 479 CA LYS A 31 8.534 -7.365 -4.660 1.00 0.00 C ATOM 480 C LYS A 31 7.884 -6.978 -3.354 1.00 0.00 C ATOM 481 O LYS A 31 7.955 -5.834 -2.914 1.00 0.00 O ATOM 482 CB LYS A 31 9.972 -7.823 -4.438 1.00 0.00 C ATOM 483 CG LYS A 31 10.791 -6.886 -3.562 1.00 0.00 C ATOM 484 CD LYS A 31 12.227 -7.365 -3.426 1.00 0.00 C ATOM 485 CE LYS A 31 12.999 -7.190 -4.723 1.00 0.00 C ATOM 486 NZ LYS A 31 13.841 -5.961 -4.707 1.00 0.00 N ATOM 0 H LYS A 31 8.615 -5.349 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 31 7.963 -8.188 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.961 -8.813 -3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.464 -7.923 -5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.780 -5.883 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.334 -6.817 -2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.722 -6.810 -2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.235 -8.416 -3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.632 -8.062 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.300 -7.140 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.351 -5.878 -5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.235 -5.127 -4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.526 -6.019 -3.926 1.00 0.00 H new ATOM 500 N VAL A 32 7.267 -7.958 -2.751 1.00 0.00 N ATOM 501 CA VAL A 32 6.592 -7.822 -1.474 1.00 0.00 C ATOM 502 C VAL A 32 7.295 -6.826 -0.543 1.00 0.00 C ATOM 503 O VAL A 32 6.655 -6.126 0.242 1.00 0.00 O ATOM 504 CB VAL A 32 6.551 -9.205 -0.794 1.00 0.00 C ATOM 505 CG1 VAL A 32 7.363 -10.217 -1.592 1.00 0.00 C ATOM 506 CG2 VAL A 32 7.065 -9.140 0.629 1.00 0.00 C ATOM 0 H VAL A 32 7.214 -8.900 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 32 5.589 -7.440 -1.662 1.00 0.00 H new ATOM 0 HB VAL A 32 5.509 -9.524 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.323 -11.187 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.949 -10.305 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.399 -9.884 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.022 -10.133 1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.096 -8.787 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.448 -8.453 1.208 1.00 0.00 H new ATOM 516 N THR A 33 8.616 -6.812 -0.620 1.00 0.00 N ATOM 517 CA THR A 33 9.440 -5.950 0.233 1.00 0.00 C ATOM 518 C THR A 33 9.603 -4.537 -0.326 1.00 0.00 C ATOM 519 O THR A 33 9.854 -3.587 0.426 1.00 0.00 O ATOM 520 CB THR A 33 10.819 -6.581 0.435 1.00 0.00 C ATOM 521 OG1 THR A 33 11.606 -6.451 -0.734 1.00 0.00 O ATOM 522 CG2 THR A 33 10.758 -8.052 0.787 1.00 0.00 C ATOM 0 H THR A 33 9.150 -7.391 -1.268 1.00 0.00 H new ATOM 0 HA THR A 33 8.919 -5.861 1.186 1.00 0.00 H new ATOM 0 HB THR A 33 11.264 -6.042 1.272 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.553 -6.556 -0.504 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.769 -8.437 0.916 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.199 -8.181 1.714 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.262 -8.598 -0.015 1.00 0.00 H new ATOM 530 N GLU A 34 9.424 -4.376 -1.629 1.00 0.00 N ATOM 531 CA GLU A 34 9.528 -3.061 -2.241 1.00 0.00 C ATOM 532 C GLU A 34 8.292 -2.250 -1.895 1.00 0.00 C ATOM 533 O GLU A 34 8.359 -1.042 -1.714 1.00 0.00 O ATOM 534 CB GLU A 34 9.679 -3.185 -3.761 1.00 0.00 C ATOM 535 CG GLU A 34 9.295 -1.927 -4.532 1.00 0.00 C ATOM 536 CD GLU A 34 10.349 -1.517 -5.543 1.00 0.00 C ATOM 537 OE1 GLU A 34 11.068 -2.407 -6.046 1.00 0.00 O ATOM 538 OE2 GLU A 34 10.457 -0.307 -5.830 1.00 0.00 O ATOM 0 H GLU A 34 9.208 -5.133 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 34 10.413 -2.554 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.714 -3.438 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.063 -4.014 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.349 -2.096 -5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.134 -1.110 -3.829 1.00 0.00 H new ATOM 545 N ILE A 35 7.163 -2.933 -1.813 1.00 0.00 N ATOM 546 CA ILE A 35 5.909 -2.292 -1.492 1.00 0.00 C ATOM 547 C ILE A 35 5.998 -1.661 -0.120 1.00 0.00 C ATOM 548 O ILE A 35 5.557 -0.533 0.103 1.00 0.00 O ATOM 549 CB ILE A 35 4.751 -3.308 -1.491 1.00 0.00 C ATOM 550 CG1 ILE A 35 4.748 -4.131 -2.777 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.423 -2.599 -1.313 1.00 0.00 C ATOM 552 CD1 ILE A 35 4.357 -5.575 -2.559 1.00 0.00 C ATOM 0 H ILE A 35 7.094 -3.939 -1.966 1.00 0.00 H new ATOM 0 HA ILE A 35 5.715 -1.533 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 35 4.897 -3.988 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.058 -3.678 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.740 -4.094 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.616 -3.332 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.422 -2.061 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.274 -1.894 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.375 -6.104 -3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.061 -6.043 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.353 -5.620 -2.137 1.00 0.00 H new ATOM 564 N ALA A 36 6.569 -2.420 0.801 1.00 0.00 N ATOM 565 CA ALA A 36 6.709 -1.974 2.165 1.00 0.00 C ATOM 566 C ALA A 36 7.698 -0.822 2.308 1.00 0.00 C ATOM 567 O ALA A 36 7.610 -0.044 3.257 1.00 0.00 O ATOM 568 CB ALA A 36 7.114 -3.135 3.061 1.00 0.00 C ATOM 0 H ALA A 36 6.943 -3.352 0.621 1.00 0.00 H new ATOM 0 HA ALA A 36 5.736 -1.597 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.216 -2.784 4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.351 -3.912 3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.066 -3.542 2.721 1.00 0.00 H new ATOM 574 N LYS A 37 8.653 -0.719 1.388 1.00 0.00 N ATOM 575 CA LYS A 37 9.655 0.340 1.466 1.00 0.00 C ATOM 576 C LYS A 37 9.239 1.578 0.676 1.00 0.00 C ATOM 577 O LYS A 37 9.240 2.698 1.205 1.00 0.00 O ATOM 578 CB LYS A 37 11.002 -0.171 0.952 1.00 0.00 C ATOM 579 CG LYS A 37 12.196 0.470 1.639 1.00 0.00 C ATOM 580 CD LYS A 37 13.491 -0.248 1.289 1.00 0.00 C ATOM 581 CE LYS A 37 14.424 -0.330 2.486 1.00 0.00 C ATOM 582 NZ LYS A 37 14.287 -1.623 3.210 1.00 0.00 N ATOM 0 H LYS A 37 8.754 -1.346 0.590 1.00 0.00 H new ATOM 0 HA LYS A 37 9.745 0.627 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.049 -1.251 1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.067 0.015 -0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.268 1.517 1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.049 0.452 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.266 -1.253 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.989 0.276 0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.454 -0.209 2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.211 0.493 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.940 -1.639 4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.310 -1.728 3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.515 -2.407 2.566 1.00 0.00 H new ATOM 596 N LYS A 38 8.881 1.384 -0.590 1.00 0.00 N ATOM 597 CA LYS A 38 8.473 2.489 -1.438 1.00 0.00 C ATOM 598 C LYS A 38 7.108 3.031 -1.033 1.00 0.00 C ATOM 599 O LYS A 38 6.673 4.069 -1.535 1.00 0.00 O ATOM 600 CB LYS A 38 8.466 2.052 -2.905 1.00 0.00 C ATOM 601 CG LYS A 38 7.108 1.598 -3.422 1.00 0.00 C ATOM 602 CD LYS A 38 6.278 2.774 -3.915 1.00 0.00 C ATOM 603 CE LYS A 38 5.933 2.635 -5.389 1.00 0.00 C ATOM 604 NZ LYS A 38 4.760 3.472 -5.766 1.00 0.00 N ATOM 0 H LYS A 38 8.867 0.472 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 38 9.196 3.295 -1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.816 2.881 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.180 1.238 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.247 0.884 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.570 1.079 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.360 2.843 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.828 3.701 -3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.794 2.924 -5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.721 1.590 -5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.848 3.765 -6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.887 2.921 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.726 4.315 -5.158 1.00 0.00 H new ATOM 618 N GLY A 39 6.449 2.352 -0.103 1.00 0.00 N ATOM 619 CA GLY A 39 5.176 2.825 0.355 1.00 0.00 C ATOM 620 C GLY A 39 5.344 3.725 1.558 1.00 0.00 C ATOM 621 O GLY A 39 4.738 4.791 1.654 1.00 0.00 O ATOM 0 H GLY A 39 6.777 1.491 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.675 3.369 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.539 1.979 0.613 1.00 0.00 H new ATOM 625 N GLY A 40 6.187 3.291 2.473 1.00 0.00 N ATOM 626 CA GLY A 40 6.451 4.058 3.672 1.00 0.00 C ATOM 627 C GLY A 40 6.935 5.452 3.353 1.00 0.00 C ATOM 628 O GLY A 40 6.592 6.408 4.042 1.00 0.00 O ATOM 0 H GLY A 40 6.700 2.412 2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.543 4.117 4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.199 3.543 4.275 1.00 0.00 H new ATOM 632 N GLU A 41 7.730 5.570 2.297 1.00 0.00 N ATOM 633 CA GLU A 41 8.248 6.869 1.887 1.00 0.00 C ATOM 634 C GLU A 41 7.103 7.825 1.561 1.00 0.00 C ATOM 635 O GLU A 41 7.104 8.982 1.982 1.00 0.00 O ATOM 636 CB GLU A 41 9.145 6.712 0.662 1.00 0.00 C ATOM 637 CG GLU A 41 8.445 6.040 -0.506 1.00 0.00 C ATOM 638 CD GLU A 41 9.380 5.757 -1.666 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.496 5.255 -1.419 1.00 0.00 O ATOM 640 OE2 GLU A 41 8.995 6.038 -2.821 1.00 0.00 O ATOM 0 H GLU A 41 8.028 4.789 1.713 1.00 0.00 H new ATOM 0 HA GLU A 41 8.829 7.282 2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.499 7.695 0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.024 6.129 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.000 5.105 -0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.629 6.676 -0.849 1.00 0.00 H new ATOM 647 N MET A 42 6.129 7.326 0.807 1.00 0.00 N ATOM 648 CA MET A 42 4.971 8.119 0.414 1.00 0.00 C ATOM 649 C MET A 42 4.005 8.285 1.575 1.00 0.00 C ATOM 650 O MET A 42 3.339 9.309 1.715 1.00 0.00 O ATOM 651 CB MET A 42 4.242 7.437 -0.739 1.00 0.00 C ATOM 652 CG MET A 42 3.435 6.224 -0.304 1.00 0.00 C ATOM 653 SD MET A 42 2.264 5.692 -1.555 1.00 0.00 S ATOM 654 CE MET A 42 2.905 4.060 -1.863 1.00 0.00 C ATOM 0 H MET A 42 6.120 6.369 0.454 1.00 0.00 H new ATOM 0 HA MET A 42 5.327 9.102 0.105 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.576 8.156 -1.215 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.970 7.131 -1.490 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.114 5.403 -0.075 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.898 6.460 0.615 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.331 3.588 -2.661 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.951 4.130 -2.161 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.826 3.461 -0.956 1.00 0.00 H new ATOM 664 N TRP A 43 3.924 7.240 2.384 1.00 0.00 N ATOM 665 CA TRP A 43 3.036 7.198 3.520 1.00 0.00 C ATOM 666 C TRP A 43 3.437 8.202 4.603 1.00 0.00 C ATOM 667 O TRP A 43 2.618 9.011 5.040 1.00 0.00 O ATOM 668 CB TRP A 43 3.041 5.761 4.027 1.00 0.00 C ATOM 669 CG TRP A 43 2.768 5.579 5.468 1.00 0.00 C ATOM 670 CD1 TRP A 43 3.684 5.397 6.446 1.00 0.00 C ATOM 671 CD2 TRP A 43 1.491 5.518 6.079 1.00 0.00 C ATOM 672 NE1 TRP A 43 3.048 5.225 7.655 1.00 0.00 N ATOM 673 CE2 TRP A 43 1.692 5.297 7.448 1.00 0.00 C ATOM 674 CE3 TRP A 43 0.197 5.636 5.590 1.00 0.00 C ATOM 675 CZ2 TRP A 43 0.631 5.182 8.339 1.00 0.00 C ATOM 676 CZ3 TRP A 43 -0.859 5.525 6.469 1.00 0.00 C ATOM 677 CH2 TRP A 43 -0.639 5.299 7.832 1.00 0.00 C ATOM 0 H TRP A 43 4.480 6.393 2.264 1.00 0.00 H new ATOM 0 HA TRP A 43 2.027 7.493 3.230 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.299 5.196 3.463 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.013 5.322 3.804 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.754 5.388 6.301 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.506 5.070 8.553 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.021 5.812 4.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.800 5.007 9.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.870 5.614 6.100 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.485 5.215 8.498 1.00 0.00 H new ATOM 688 N LYS A 44 4.688 8.138 5.043 1.00 0.00 N ATOM 689 CA LYS A 44 5.188 9.030 6.088 1.00 0.00 C ATOM 690 C LYS A 44 4.765 10.486 5.869 1.00 0.00 C ATOM 691 O LYS A 44 4.680 11.258 6.824 1.00 0.00 O ATOM 692 CB LYS A 44 6.715 8.940 6.162 1.00 0.00 C ATOM 693 CG LYS A 44 7.220 8.166 7.369 1.00 0.00 C ATOM 694 CD LYS A 44 8.528 8.738 7.890 1.00 0.00 C ATOM 695 CE LYS A 44 9.296 7.715 8.710 1.00 0.00 C ATOM 696 NZ LYS A 44 10.332 8.354 9.568 1.00 0.00 N ATOM 0 H LYS A 44 5.379 7.475 4.692 1.00 0.00 H new ATOM 0 HA LYS A 44 4.747 8.702 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.087 8.465 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.129 9.948 6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.470 8.192 8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.361 7.120 7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.141 9.068 7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.324 9.617 8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.601 7.156 9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.771 6.997 8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.833 7.622 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.011 8.866 8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.877 9.021 10.224 1.00 0.00 H new ATOM 710 N GLU A 45 4.517 10.868 4.618 1.00 0.00 N ATOM 711 CA GLU A 45 4.125 12.243 4.315 1.00 0.00 C ATOM 712 C GLU A 45 2.773 12.322 3.603 1.00 0.00 C ATOM 713 O GLU A 45 2.381 13.388 3.131 1.00 0.00 O ATOM 714 CB GLU A 45 5.197 12.916 3.455 1.00 0.00 C ATOM 715 CG GLU A 45 5.542 12.140 2.195 1.00 0.00 C ATOM 716 CD GLU A 45 6.306 12.975 1.187 1.00 0.00 C ATOM 717 OE1 GLU A 45 7.005 13.921 1.608 1.00 0.00 O ATOM 718 OE2 GLU A 45 6.205 12.684 -0.023 1.00 0.00 O ATOM 0 H GLU A 45 4.579 10.253 3.806 1.00 0.00 H new ATOM 0 HA GLU A 45 4.026 12.765 5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.854 13.912 3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.101 13.045 4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.136 11.266 2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.624 11.773 1.736 1.00 0.00 H new ATOM 725 N LEU A 46 2.063 11.201 3.518 1.00 0.00 N ATOM 726 CA LEU A 46 0.766 11.190 2.850 1.00 0.00 C ATOM 727 C LEU A 46 -0.310 11.751 3.793 1.00 0.00 C ATOM 728 O LEU A 46 -0.188 11.640 5.013 1.00 0.00 O ATOM 729 CB LEU A 46 0.465 9.771 2.325 1.00 0.00 C ATOM 730 CG LEU A 46 -0.780 9.074 2.862 1.00 0.00 C ATOM 731 CD1 LEU A 46 -1.167 7.915 1.964 1.00 0.00 C ATOM 732 CD2 LEU A 46 -0.540 8.582 4.272 1.00 0.00 C ATOM 0 H LEU A 46 2.358 10.301 3.897 1.00 0.00 H new ATOM 0 HA LEU A 46 0.773 11.843 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.379 9.824 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.326 9.140 2.546 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.599 9.793 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.058 7.428 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.374 8.286 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.348 7.197 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.438 8.087 4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.291 7.877 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.300 9.428 4.917 1.00 0.00 H new ATOM 744 N LYS A 47 -1.341 12.394 3.229 1.00 0.00 N ATOM 745 CA LYS A 47 -2.403 13.012 4.037 1.00 0.00 C ATOM 746 C LYS A 47 -3.555 12.058 4.317 1.00 0.00 C ATOM 747 O LYS A 47 -4.595 12.460 4.838 1.00 0.00 O ATOM 748 CB LYS A 47 -2.930 14.269 3.342 1.00 0.00 C ATOM 749 CG LYS A 47 -3.582 13.992 1.997 1.00 0.00 C ATOM 750 CD LYS A 47 -3.335 15.126 1.016 1.00 0.00 C ATOM 751 CE LYS A 47 -1.984 14.988 0.334 1.00 0.00 C ATOM 752 NZ LYS A 47 -1.956 13.842 -0.616 1.00 0.00 N ATOM 0 H LYS A 47 -1.463 12.500 2.222 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.959 13.276 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.654 14.758 3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.106 14.968 3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.190 13.062 1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.655 13.854 2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.124 15.136 0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.383 16.080 1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.752 15.909 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.209 14.853 1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.178 13.972 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.812 12.957 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.859 13.795 -1.131 1.00 0.00 H new ATOM 766 N ASP A 48 -3.352 10.796 4.002 1.00 0.00 N ATOM 767 CA ASP A 48 -4.353 9.778 4.251 1.00 0.00 C ATOM 768 C ASP A 48 -3.973 8.986 5.496 1.00 0.00 C ATOM 769 O ASP A 48 -4.769 8.216 6.019 1.00 0.00 O ATOM 770 CB ASP A 48 -4.480 8.841 3.048 1.00 0.00 C ATOM 771 CG ASP A 48 -5.570 9.278 2.088 1.00 0.00 C ATOM 772 OD1 ASP A 48 -6.748 9.301 2.499 1.00 0.00 O ATOM 773 OD2 ASP A 48 -5.243 9.597 0.925 1.00 0.00 O ATOM 0 H ASP A 48 -2.496 10.448 3.570 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.317 10.261 4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.528 8.802 2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.692 7.831 3.398 1.00 0.00 H new ATOM 778 N LYS A 49 -2.745 9.199 5.969 1.00 0.00 N ATOM 779 CA LYS A 49 -2.241 8.519 7.153 1.00 0.00 C ATOM 780 C LYS A 49 -2.793 9.161 8.413 1.00 0.00 C ATOM 781 O LYS A 49 -2.861 8.527 9.462 1.00 0.00 O ATOM 782 CB LYS A 49 -0.714 8.556 7.172 1.00 0.00 C ATOM 783 CG LYS A 49 -0.102 8.081 8.470 1.00 0.00 C ATOM 784 CD LYS A 49 0.567 9.220 9.218 1.00 0.00 C ATOM 785 CE LYS A 49 1.692 9.823 8.392 1.00 0.00 C ATOM 786 NZ LYS A 49 2.607 10.658 9.219 1.00 0.00 N ATOM 0 H LYS A 49 -2.079 9.844 5.543 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.570 7.480 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.336 7.939 6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.383 9.577 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.875 7.637 9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.630 7.300 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.169 9.988 9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.962 8.856 10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.261 9.024 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.269 10.432 7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.396 10.994 8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.085 11.474 9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.979 10.090 10.006 1.00 0.00 H new ATOM 800 N SER A 50 -3.239 10.403 8.294 1.00 0.00 N ATOM 801 CA SER A 50 -3.837 11.086 9.422 1.00 0.00 C ATOM 802 C SER A 50 -5.265 10.595 9.551 1.00 0.00 C ATOM 803 O SER A 50 -5.793 10.425 10.650 1.00 0.00 O ATOM 804 CB SER A 50 -3.806 12.603 9.219 1.00 0.00 C ATOM 805 OG SER A 50 -2.645 13.172 9.800 1.00 0.00 O ATOM 0 H SER A 50 -3.197 10.951 7.435 1.00 0.00 H new ATOM 0 HA SER A 50 -3.277 10.871 10.332 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.832 12.831 8.153 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.695 13.051 9.663 1.00 0.00 H new ATOM 0 HG SER A 50 -2.648 14.141 9.655 1.00 0.00 H new ATOM 811 N LYS A 51 -5.875 10.363 8.393 1.00 0.00 N ATOM 812 CA LYS A 51 -7.247 9.876 8.327 1.00 0.00 C ATOM 813 C LYS A 51 -7.294 8.347 8.353 1.00 0.00 C ATOM 814 O LYS A 51 -8.349 7.757 8.581 1.00 0.00 O ATOM 815 CB LYS A 51 -7.932 10.396 7.062 1.00 0.00 C ATOM 816 CG LYS A 51 -9.385 9.966 6.936 1.00 0.00 C ATOM 817 CD LYS A 51 -10.131 10.816 5.920 1.00 0.00 C ATOM 818 CE LYS A 51 -11.631 10.787 6.166 1.00 0.00 C ATOM 819 NZ LYS A 51 -12.273 12.089 5.836 1.00 0.00 N ATOM 0 H LYS A 51 -5.437 10.506 7.483 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.777 10.249 9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.882 11.485 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.381 10.045 6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.431 8.918 6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.874 10.044 7.907 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.772 11.844 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.919 10.453 4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.082 9.997 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.823 10.542 7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.295 12.028 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.861 12.839 6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.112 12.311 4.833 1.00 0.00 H new ATOM 833 N TRP A 52 -6.147 7.708 8.114 1.00 0.00 N ATOM 834 CA TRP A 52 -6.076 6.249 8.110 1.00 0.00 C ATOM 835 C TRP A 52 -5.451 5.723 9.395 1.00 0.00 C ATOM 836 O TRP A 52 -5.806 4.643 9.870 1.00 0.00 O ATOM 837 CB TRP A 52 -5.282 5.752 6.905 1.00 0.00 C ATOM 838 CG TRP A 52 -6.044 5.851 5.619 1.00 0.00 C ATOM 839 CD1 TRP A 52 -6.934 6.824 5.262 1.00 0.00 C ATOM 840 CD2 TRP A 52 -5.988 4.937 4.522 1.00 0.00 C ATOM 841 NE1 TRP A 52 -7.429 6.572 4.005 1.00 0.00 N ATOM 842 CE2 TRP A 52 -6.863 5.418 3.530 1.00 0.00 C ATOM 843 CE3 TRP A 52 -5.281 3.760 4.283 1.00 0.00 C ATOM 844 CZ2 TRP A 52 -7.048 4.760 2.317 1.00 0.00 C ATOM 845 CZ3 TRP A 52 -5.462 3.105 3.080 1.00 0.00 C ATOM 846 CH2 TRP A 52 -6.340 3.608 2.110 1.00 0.00 C ATOM 0 H TRP A 52 -5.261 8.176 7.922 1.00 0.00 H new ATOM 0 HA TRP A 52 -7.096 5.870 8.044 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.361 6.329 6.821 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.993 4.714 7.070 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -7.208 7.668 5.878 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -8.107 7.149 3.507 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.603 3.366 5.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.725 5.144 1.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -4.919 2.192 2.884 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -6.460 3.074 1.179 1.00 0.00 H new ATOM 857 N GLU A 53 -4.533 6.490 9.976 1.00 0.00 N ATOM 858 CA GLU A 53 -3.898 6.077 11.223 1.00 0.00 C ATOM 859 C GLU A 53 -4.962 5.676 12.210 1.00 0.00 C ATOM 860 O GLU A 53 -4.758 4.795 13.040 1.00 0.00 O ATOM 861 CB GLU A 53 -3.071 7.201 11.840 1.00 0.00 C ATOM 862 CG GLU A 53 -1.626 7.192 11.416 1.00 0.00 C ATOM 863 CD GLU A 53 -0.682 6.826 12.545 1.00 0.00 C ATOM 864 OE1 GLU A 53 -1.127 6.151 13.496 1.00 0.00 O ATOM 865 OE2 GLU A 53 0.504 7.212 12.476 1.00 0.00 O ATOM 0 H GLU A 53 -4.216 7.388 9.610 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.234 5.243 10.996 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.515 8.159 11.567 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.122 7.124 12.926 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.497 6.484 10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.359 8.176 11.031 1.00 0.00 H new ATOM 872 N ASP A 54 -6.104 6.341 12.115 1.00 0.00 N ATOM 873 CA ASP A 54 -7.195 6.053 13.007 1.00 0.00 C ATOM 874 C ASP A 54 -7.670 4.644 12.812 1.00 0.00 C ATOM 875 O ASP A 54 -8.054 3.988 13.761 1.00 0.00 O ATOM 876 CB ASP A 54 -8.340 7.053 12.838 1.00 0.00 C ATOM 877 CG ASP A 54 -9.121 7.259 14.121 1.00 0.00 C ATOM 878 OD1 ASP A 54 -8.518 7.708 15.118 1.00 0.00 O ATOM 879 OD2 ASP A 54 -10.337 6.971 14.129 1.00 0.00 O ATOM 0 H ASP A 54 -6.290 7.076 11.432 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.831 6.155 14.029 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.937 8.009 12.503 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.015 6.700 12.058 1.00 0.00 H new ATOM 884 N ALA A 55 -7.589 4.149 11.599 1.00 0.00 N ATOM 885 CA ALA A 55 -7.963 2.777 11.363 1.00 0.00 C ATOM 886 C ALA A 55 -7.085 1.907 12.255 1.00 0.00 C ATOM 887 O ALA A 55 -7.551 0.972 12.903 1.00 0.00 O ATOM 888 CB ALA A 55 -7.781 2.425 9.896 1.00 0.00 C ATOM 0 H ALA A 55 -7.274 4.664 10.777 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.014 2.613 11.601 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.067 1.386 9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.408 3.074 9.285 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.737 2.562 9.616 1.00 0.00 H new ATOM 894 N ALA A 56 -5.792 2.222 12.233 1.00 0.00 N ATOM 895 CA ALA A 56 -4.773 1.486 12.987 1.00 0.00 C ATOM 896 C ALA A 56 -4.920 1.622 14.498 1.00 0.00 C ATOM 897 O ALA A 56 -4.976 0.620 15.211 1.00 0.00 O ATOM 898 CB ALA A 56 -3.397 1.967 12.573 1.00 0.00 C ATOM 0 H ALA A 56 -5.417 2.999 11.689 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.908 0.431 12.750 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.637 1.421 13.132 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.257 1.794 11.506 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.306 3.033 12.782 1.00 0.00 H new ATOM 904 N ALA A 57 -4.987 2.857 14.991 1.00 0.00 N ATOM 905 CA ALA A 57 -5.131 3.082 16.428 1.00 0.00 C ATOM 906 C ALA A 57 -6.495 2.599 16.918 1.00 0.00 C ATOM 907 O ALA A 57 -6.635 2.114 18.040 1.00 0.00 O ATOM 908 CB ALA A 57 -4.942 4.556 16.754 1.00 0.00 C ATOM 0 H ALA A 57 -4.945 3.706 14.427 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.360 2.509 16.943 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.052 4.708 17.828 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.947 4.873 16.443 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.692 5.145 16.225 1.00 0.00 H new ATOM 914 N LYS A 58 -7.489 2.746 16.057 1.00 0.00 N ATOM 915 CA LYS A 58 -8.854 2.339 16.369 1.00 0.00 C ATOM 916 C LYS A 58 -9.001 0.825 16.282 1.00 0.00 C ATOM 917 O LYS A 58 -9.723 0.216 17.071 1.00 0.00 O ATOM 918 CB LYS A 58 -9.854 3.034 15.433 1.00 0.00 C ATOM 919 CG LYS A 58 -10.161 2.270 14.149 1.00 0.00 C ATOM 920 CD LYS A 58 -11.262 2.947 13.347 1.00 0.00 C ATOM 921 CE LYS A 58 -10.811 4.288 12.791 1.00 0.00 C ATOM 922 NZ LYS A 58 -11.960 5.204 12.551 1.00 0.00 N ATOM 0 H LYS A 58 -7.376 3.148 15.127 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.073 2.644 17.392 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.786 3.196 15.975 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.463 4.017 15.170 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.258 2.199 13.542 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.462 1.251 14.394 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.566 2.297 12.527 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.137 3.092 13.981 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.114 4.754 13.488 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.271 4.131 11.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.067 5.366 11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.830 4.776 12.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.786 6.111 13.029 1.00 0.00 H new ATOM 936 N ASP A 59 -8.309 0.219 15.322 1.00 0.00 N ATOM 937 CA ASP A 59 -8.365 -1.218 15.146 1.00 0.00 C ATOM 938 C ASP A 59 -7.714 -1.897 16.335 1.00 0.00 C ATOM 939 O ASP A 59 -8.135 -2.963 16.756 1.00 0.00 O ATOM 940 CB ASP A 59 -7.676 -1.629 13.842 1.00 0.00 C ATOM 941 CG ASP A 59 -7.816 -3.110 13.550 1.00 0.00 C ATOM 942 OD1 ASP A 59 -8.092 -3.879 14.492 1.00 0.00 O ATOM 943 OD2 ASP A 59 -7.651 -3.500 12.374 1.00 0.00 O ATOM 0 H ASP A 59 -7.706 0.704 14.658 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.407 -1.531 15.085 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.100 -1.058 13.016 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.618 -1.372 13.898 1.00 0.00 H new ATOM 948 N LYS A 60 -6.696 -1.258 16.892 1.00 0.00 N ATOM 949 CA LYS A 60 -6.017 -1.806 18.056 1.00 0.00 C ATOM 950 C LYS A 60 -7.022 -1.977 19.183 1.00 0.00 C ATOM 951 O LYS A 60 -6.876 -2.837 20.054 1.00 0.00 O ATOM 952 CB LYS A 60 -4.872 -0.884 18.504 1.00 0.00 C ATOM 953 CG LYS A 60 -4.827 -0.632 20.011 1.00 0.00 C ATOM 954 CD LYS A 60 -5.803 0.458 20.424 1.00 0.00 C ATOM 955 CE LYS A 60 -5.089 1.770 20.708 1.00 0.00 C ATOM 956 NZ LYS A 60 -4.347 2.269 19.517 1.00 0.00 N ATOM 0 H LYS A 60 -6.325 -0.368 16.560 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.588 -2.774 17.795 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.924 -1.322 18.191 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.967 0.072 17.989 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.064 -1.554 20.542 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.816 -0.346 20.303 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.539 0.607 19.634 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.349 0.141 21.312 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.817 2.518 21.022 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.395 1.633 21.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.974 3.220 19.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.559 1.625 19.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.990 2.312 18.700 1.00 0.00 H new ATOM 970 N GLN A 61 -8.028 -1.122 19.155 1.00 0.00 N ATOM 971 CA GLN A 61 -9.064 -1.113 20.154 1.00 0.00 C ATOM 972 C GLN A 61 -10.213 -2.049 19.778 1.00 0.00 C ATOM 973 O GLN A 61 -10.691 -2.825 20.599 1.00 0.00 O ATOM 974 CB GLN A 61 -9.567 0.320 20.339 1.00 0.00 C ATOM 975 CG GLN A 61 -11.078 0.445 20.368 1.00 0.00 C ATOM 976 CD GLN A 61 -11.606 0.892 21.719 1.00 0.00 C ATOM 977 OE1 GLN A 61 -10.973 0.414 22.788 1.00 0.00 O flip ATOM 978 NE2 GLN A 61 -12.568 1.656 21.803 1.00 0.00 N flip ATOM 0 H GLN A 61 -8.144 -0.413 18.431 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.650 -1.478 21.094 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.162 0.719 21.269 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.177 0.938 19.530 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.394 1.158 19.606 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.522 -0.516 20.109 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.023 1.998 20.957 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.910 1.947 22.719 1.00 0.00 H new ATOM 987 N ARG A 62 -10.675 -1.964 18.545 1.00 0.00 N ATOM 988 CA ARG A 62 -11.777 -2.808 18.119 1.00 0.00 C ATOM 989 C ARG A 62 -11.367 -4.264 18.085 1.00 0.00 C ATOM 990 O ARG A 62 -12.196 -5.154 18.246 1.00 0.00 O ATOM 991 CB ARG A 62 -12.269 -2.423 16.729 1.00 0.00 C ATOM 992 CG ARG A 62 -12.581 -3.643 15.872 1.00 0.00 C ATOM 993 CD ARG A 62 -13.117 -3.250 14.508 1.00 0.00 C ATOM 994 NE ARG A 62 -12.055 -2.763 13.635 1.00 0.00 N ATOM 995 CZ ARG A 62 -12.248 -2.357 12.383 1.00 0.00 C ATOM 996 NH1 ARG A 62 -13.464 -2.378 11.852 1.00 0.00 N ATOM 997 NH2 ARG A 62 -11.223 -1.929 11.658 1.00 0.00 N ATOM 0 H ARG A 62 -10.313 -1.332 17.831 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.577 -2.663 18.845 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.163 -1.806 16.820 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.512 -1.816 16.232 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -11.678 -4.242 15.749 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.312 -4.269 16.383 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.604 -4.109 14.046 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.877 -2.477 14.624 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.106 -2.732 14.007 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.256 -2.707 12.404 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.607 -2.066 10.892 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.286 -1.911 12.060 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.372 -1.618 10.698 1.00 0.00 H new ATOM 1011 N TYR A 63 -10.094 -4.497 17.835 1.00 0.00 N ATOM 1012 CA TYR A 63 -9.588 -5.852 17.733 1.00 0.00 C ATOM 1013 C TYR A 63 -9.288 -6.405 19.097 1.00 0.00 C ATOM 1014 O TYR A 63 -9.811 -7.446 19.474 1.00 0.00 O ATOM 1015 CB TYR A 63 -8.345 -5.921 16.843 1.00 0.00 C ATOM 1016 CG TYR A 63 -8.597 -6.615 15.522 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -9.574 -6.154 14.650 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -7.860 -7.731 15.150 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -9.810 -6.785 13.443 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -8.089 -8.368 13.945 1.00 0.00 C ATOM 1021 CZ TYR A 63 -9.064 -7.891 13.095 1.00 0.00 C ATOM 1022 OH TYR A 63 -9.296 -8.523 11.895 1.00 0.00 O ATOM 0 H TYR A 63 -9.393 -3.769 17.699 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.363 -6.462 17.269 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.986 -4.910 16.652 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.552 -6.446 17.377 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.160 -5.287 14.919 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.095 -8.108 15.813 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.574 -6.414 12.776 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.507 -9.235 13.671 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.685 -9.284 11.802 1.00 0.00 H new ATOM 1032 N HIS A 64 -8.473 -5.706 19.861 1.00 0.00 N ATOM 1033 CA HIS A 64 -8.167 -6.180 21.179 1.00 0.00 C ATOM 1034 C HIS A 64 -9.475 -6.333 21.954 1.00 0.00 C ATOM 1035 O HIS A 64 -9.551 -7.081 22.913 1.00 0.00 O ATOM 1036 CB HIS A 64 -7.186 -5.229 21.872 1.00 0.00 C ATOM 1037 CG HIS A 64 -7.844 -4.073 22.513 1.00 0.00 C ATOM 1038 ND1 HIS A 64 -8.934 -3.476 21.969 1.00 0.00 N ATOM 1039 CD2 HIS A 64 -7.563 -3.400 23.644 1.00 0.00 C ATOM 1040 CE1 HIS A 64 -9.311 -2.476 22.721 1.00 0.00 C ATOM 1041 NE2 HIS A 64 -8.498 -2.401 23.758 1.00 0.00 N ATOM 0 H HIS A 64 -8.024 -4.830 19.594 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.677 -7.152 21.133 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.626 -5.783 22.625 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.464 -4.867 21.140 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -9.390 -3.764 21.104 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.756 -3.606 24.331 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.147 -1.821 22.527 1.00 0.00 H new ATOM 1050 N ASP A 65 -10.530 -5.655 21.495 1.00 0.00 N ATOM 1051 CA ASP A 65 -11.820 -5.747 22.143 1.00 0.00 C ATOM 1052 C ASP A 65 -12.526 -7.045 21.781 1.00 0.00 C ATOM 1053 O ASP A 65 -13.447 -7.467 22.481 1.00 0.00 O ATOM 1054 CB ASP A 65 -12.684 -4.559 21.744 1.00 0.00 C ATOM 1055 CG ASP A 65 -14.033 -4.558 22.439 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -14.081 -4.233 23.643 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -15.041 -4.883 21.777 1.00 0.00 O ATOM 0 H ASP A 65 -10.507 -5.042 20.680 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.661 -5.737 23.221 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.157 -3.635 21.981 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.836 -4.571 20.665 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.083 -7.702 20.706 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.683 -8.963 20.319 1.00 0.00 C ATOM 1064 C GLU A 66 -11.624 -10.032 20.399 1.00 0.00 C ATOM 1065 O GLU A 66 -11.864 -11.132 20.876 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.307 -8.921 18.913 1.00 0.00 C ATOM 1067 CG GLU A 66 -12.729 -7.867 17.981 1.00 0.00 C ATOM 1068 CD GLU A 66 -13.806 -7.047 17.296 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -14.443 -6.216 17.976 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -14.012 -7.237 16.078 1.00 0.00 O ATOM 0 H GLU A 66 -11.325 -7.382 20.103 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.503 -9.180 21.003 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.185 -9.900 18.449 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.378 -8.747 19.013 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.076 -7.203 18.548 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.111 -8.353 17.226 1.00 0.00 H new ATOM 1077 N MET A 67 -10.446 -9.695 19.916 1.00 0.00 N ATOM 1078 CA MET A 67 -9.327 -10.615 19.925 1.00 0.00 C ATOM 1079 C MET A 67 -8.811 -10.842 21.346 1.00 0.00 C ATOM 1080 O MET A 67 -8.684 -11.986 21.783 1.00 0.00 O ATOM 1081 CB MET A 67 -8.216 -10.072 19.032 1.00 0.00 C ATOM 1082 CG MET A 67 -8.721 -9.352 17.781 1.00 0.00 C ATOM 1083 SD MET A 67 -10.208 -10.089 17.063 1.00 0.00 S ATOM 1084 CE MET A 67 -9.594 -10.646 15.479 1.00 0.00 C ATOM 0 H MET A 67 -10.238 -8.783 19.509 1.00 0.00 H new ATOM 0 HA MET A 67 -9.662 -11.578 19.539 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.601 -9.384 19.612 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.571 -10.897 18.729 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.927 -8.311 18.031 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.930 -9.349 17.031 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.951 -9.978 14.695 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.504 -10.643 15.490 1.00 0.00 H new ATOM 0 HE3 MET A 67 -9.953 -11.657 15.285 1.00 0.00 H new ATOM 1094 N ARG A 68 -8.546 -9.759 22.088 1.00 0.00 N ATOM 1095 CA ARG A 68 -8.087 -9.907 23.470 1.00 0.00 C ATOM 1096 C ARG A 68 -9.219 -10.537 24.289 1.00 0.00 C ATOM 1097 O ARG A 68 -9.002 -11.171 25.321 1.00 0.00 O ATOM 1098 CB ARG A 68 -7.629 -8.550 24.054 1.00 0.00 C ATOM 1099 CG ARG A 68 -8.557 -7.932 25.102 1.00 0.00 C ATOM 1100 CD ARG A 68 -8.658 -6.418 24.940 1.00 0.00 C ATOM 1101 NE ARG A 68 -8.281 -5.701 26.153 1.00 0.00 N ATOM 1102 CZ ARG A 68 -8.888 -5.851 27.329 1.00 0.00 C ATOM 1103 NH1 ARG A 68 -9.922 -6.674 27.453 1.00 0.00 N ATOM 1104 NH2 ARG A 68 -8.467 -5.164 28.382 1.00 0.00 N ATOM 0 H ARG A 68 -8.639 -8.796 21.764 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.216 -10.561 23.507 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.643 -8.681 24.500 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.515 -7.842 23.233 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.549 -8.375 25.016 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.188 -8.168 26.100 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.015 -6.100 24.119 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.679 -6.152 24.667 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.503 -5.043 26.097 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.257 -7.197 26.644 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.381 -6.783 28.357 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.680 -4.522 28.291 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.931 -5.277 29.283 1.00 0.00 H new ATOM 1118 N ASN A 69 -10.429 -10.359 23.765 1.00 0.00 N ATOM 1119 CA ASN A 69 -11.634 -10.903 24.369 1.00 0.00 C ATOM 1120 C ASN A 69 -11.902 -12.296 23.809 1.00 0.00 C ATOM 1121 O ASN A 69 -11.566 -13.301 24.436 1.00 0.00 O ATOM 1122 CB ASN A 69 -12.829 -9.982 24.109 1.00 0.00 C ATOM 1123 CG ASN A 69 -13.010 -8.946 25.201 1.00 0.00 C ATOM 1124 OD1 ASN A 69 -13.079 -9.405 26.446 1.00 0.00 O flip ATOM 1125 ND2 ASN A 69 -13.087 -7.748 24.930 1.00 0.00 N flip ATOM 0 H ASN A 69 -10.598 -9.832 22.908 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.490 -10.974 25.447 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.694 -9.477 23.152 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.735 -10.582 24.028 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.029 -7.440 23.959 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -13.209 -7.063 25.676 1.00 0.00 H new ATOM 1132 N TYR A 70 -12.491 -12.336 22.615 1.00 0.00 N ATOM 1133 CA TYR A 70 -12.808 -13.585 21.923 1.00 0.00 C ATOM 1134 C TYR A 70 -13.194 -14.703 22.900 1.00 0.00 C ATOM 1135 O TYR A 70 -13.650 -14.434 24.012 1.00 0.00 O ATOM 1136 CB TYR A 70 -11.629 -14.010 21.042 1.00 0.00 C ATOM 1137 CG TYR A 70 -12.042 -14.438 19.652 1.00 0.00 C ATOM 1138 CD1 TYR A 70 -12.570 -13.521 18.753 1.00 0.00 C ATOM 1139 CD2 TYR A 70 -11.903 -15.757 19.239 1.00 0.00 C ATOM 1140 CE1 TYR A 70 -12.948 -13.905 17.481 1.00 0.00 C ATOM 1141 CE2 TYR A 70 -12.279 -16.149 17.969 1.00 0.00 C ATOM 1142 CZ TYR A 70 -12.802 -15.220 17.094 1.00 0.00 C ATOM 1143 OH TYR A 70 -13.177 -15.607 15.829 1.00 0.00 O ATOM 0 H TYR A 70 -12.763 -11.500 22.098 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.677 -13.405 21.290 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.925 -13.181 20.965 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.101 -14.832 21.526 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.687 -12.490 19.053 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.495 -16.487 19.922 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.356 -13.179 16.793 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.164 -17.178 17.663 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.008 -16.566 15.717 1.00 0.00 H new ATOM 1153 N LYS A 71 -13.022 -15.954 22.477 1.00 0.00 N ATOM 1154 CA LYS A 71 -13.363 -17.095 23.321 1.00 0.00 C ATOM 1155 C LYS A 71 -12.179 -17.504 24.197 1.00 0.00 C ATOM 1156 O LYS A 71 -12.296 -17.558 25.421 1.00 0.00 O ATOM 1157 CB LYS A 71 -13.816 -18.276 22.459 1.00 0.00 C ATOM 1158 CG LYS A 71 -15.208 -18.780 22.802 1.00 0.00 C ATOM 1159 CD LYS A 71 -16.278 -18.037 22.019 1.00 0.00 C ATOM 1160 CE LYS A 71 -16.861 -16.886 22.825 1.00 0.00 C ATOM 1161 NZ LYS A 71 -17.326 -15.775 21.951 1.00 0.00 N ATOM 0 H LYS A 71 -12.651 -16.201 21.560 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.183 -16.799 23.975 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.794 -17.979 21.410 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.104 -19.093 22.574 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.273 -19.847 22.587 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.387 -18.659 23.870 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.852 -17.654 21.092 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.074 -18.728 21.742 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.695 -17.249 23.425 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.109 -16.511 23.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.716 -15.011 22.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.525 -15.411 21.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.062 -16.126 21.306 1.00 0.00 H new ATOM 1175 N PRO A 72 -11.019 -17.799 23.582 1.00 0.00 N ATOM 1176 CA PRO A 72 -9.816 -18.202 24.319 1.00 0.00 C ATOM 1177 C PRO A 72 -9.494 -17.255 25.469 1.00 0.00 C ATOM 1178 O PRO A 72 -8.791 -16.260 25.290 1.00 0.00 O ATOM 1179 CB PRO A 72 -8.716 -18.149 23.259 1.00 0.00 C ATOM 1180 CG PRO A 72 -9.423 -18.379 21.970 1.00 0.00 C ATOM 1181 CD PRO A 72 -10.787 -17.760 22.125 1.00 0.00 C ATOM 0 HA PRO A 72 -9.933 -19.181 24.783 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.206 -17.185 23.265 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.958 -18.912 23.436 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.880 -17.924 21.141 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.501 -19.444 21.753 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.811 -16.740 21.742 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.547 -18.322 21.582 1.00 0.00 H new ATOM 1189 N GLU A 73 -10.015 -17.569 26.652 1.00 0.00 N ATOM 1190 CA GLU A 73 -9.783 -16.746 27.833 1.00 0.00 C ATOM 1191 C GLU A 73 -10.427 -17.371 29.066 1.00 0.00 C ATOM 1192 O GLU A 73 -9.736 -17.777 30.000 1.00 0.00 O ATOM 1193 CB GLU A 73 -10.335 -15.336 27.614 1.00 0.00 C ATOM 1194 CG GLU A 73 -9.686 -14.284 28.499 1.00 0.00 C ATOM 1195 CD GLU A 73 -9.445 -12.977 27.770 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -8.431 -12.879 27.048 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -10.269 -12.051 27.923 1.00 0.00 O ATOM 0 H GLU A 73 -10.601 -18.388 26.817 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.707 -16.686 27.998 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.194 -15.058 26.570 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.409 -15.342 27.800 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.322 -14.101 29.365 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.737 -14.666 28.875 1.00 0.00 H new ATOM 1204 N ALA A 74 -11.754 -17.444 29.062 1.00 0.00 N ATOM 1205 CA ALA A 74 -12.491 -18.020 30.179 1.00 0.00 C ATOM 1206 C ALA A 74 -12.215 -17.257 31.470 1.00 0.00 C ATOM 1207 O ALA A 74 -11.334 -16.372 31.456 1.00 0.00 O ATOM 1208 CB ALA A 74 -12.135 -19.489 30.345 1.00 0.00 C ATOM 1209 OXT ALA A 74 -12.881 -17.552 32.485 1.00 0.00 O ATOM 0 H ALA A 74 -12.341 -17.111 28.297 1.00 0.00 H new ATOM 0 HA ALA A 74 -13.556 -17.939 29.960 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.693 -19.906 31.183 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.390 -20.030 29.434 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.066 -19.585 30.537 1.00 0.00 H new TER 1215 ALA A 74