USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 907 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 106 THR OG1 : rot -6:sc= 1.13 USER MOD Set 1.2: A 111 HIS :FLIP no HD1:sc= -1.25 F(o=-0.8,f=-0.12) USER MOD Set 2.1: A 65 SER OG : rot -145:sc= 1.17 USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0.666 USER MOD Set 3.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 63 GLN : amide:sc= 0.646 K(o=0.65,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 113:sc= -1.09 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -2.16 K(o=-2.2,f=-4.2!) USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= 0.185 (180deg=0.0512) USER MOD Single : A 18 HIS :FLIP no HE2:sc= -1.61 F(o=-2.3!,f=-1.6) USER MOD Single : A 19 SER OG : rot 180:sc= -0.48 USER MOD Single : A 20 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.039) USER MOD Single : A 21 SER OG : rot 83:sc= 0.597 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -10:sc= 1.84 USER MOD Single : A 29 GLN : amide:sc= -0.0681 K(o=-0.068,f=-0.77) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0486 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.598 K(o=0.6,f=0) USER MOD Single : A 46 TYR OH : rot 120:sc= 0.131 USER MOD Single : A 48 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.077) USER MOD Single : A 49 LYS NZ :NH3+ -116:sc= 0.0632 (180deg=-0.205) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 63:sc= 1.22 USER MOD Single : A 67 CYS SG : rot 180:sc= -2.63! USER MOD Single : A 68 SER OG : rot -28:sc= 0.219 USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= -0.0121 (180deg=-0.16) USER MOD Single : A 80 SER OG : rot 54:sc= 0.225 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.0801 F(o=-0.98,f=-0.08) USER MOD Single : A 84 MET CE :methyl -149:sc= 0 (180deg=-1.12) USER MOD Single : A 85 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.22) USER MOD Single : A 86 LYS NZ :NH3+ -111:sc= 0.605 (180deg=-0.125) USER MOD Single : A 97 THR OG1 : rot -34:sc= 1.15 USER MOD Single : A 100 MET CE :methyl 175:sc= -1.14 (180deg=-1.34) USER MOD Single : A 101 SER OG : rot -80:sc= -0.345 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.239 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.035 16.294 2.720 1.00 40.21 N ATOM 2 CA GLY A 1 17.898 17.150 3.553 1.00 54.24 C ATOM 3 C GLY A 1 19.300 16.606 3.648 1.00 61.21 C ATOM 4 O GLY A 1 20.094 16.760 2.723 1.00 33.31 O ATOM 0 H1 GLY A 1 16.079 16.701 2.678 1.00 40.21 H new ATOM 0 H2 GLY A 1 17.428 16.235 1.759 1.00 40.21 H new ATOM 0 H3 GLY A 1 16.988 15.341 3.134 1.00 40.21 H new ATOM 0 HA2 GLY A 1 17.926 18.156 3.134 1.00 54.24 H new ATOM 0 HA3 GLY A 1 17.472 17.233 4.553 1.00 54.24 H new ATOM 10 N SER A 2 19.607 15.958 4.754 1.00 61.54 N ATOM 11 CA SER A 2 20.921 15.384 4.955 1.00 73.44 C ATOM 12 C SER A 2 21.000 13.995 4.316 1.00 13.32 C ATOM 13 O SER A 2 19.976 13.408 3.974 1.00 5.33 O ATOM 14 CB SER A 2 21.230 15.320 6.450 1.00 52.34 C ATOM 15 OG SER A 2 21.152 16.619 7.030 1.00 62.44 O ATOM 0 H SER A 2 18.961 15.816 5.530 1.00 61.54 H new ATOM 0 HA SER A 2 21.667 16.015 4.473 1.00 73.44 H new ATOM 0 HB2 SER A 2 20.526 14.651 6.945 1.00 52.34 H new ATOM 0 HB3 SER A 2 22.226 14.905 6.604 1.00 52.34 H new ATOM 0 HG SER A 2 21.351 16.562 7.988 1.00 62.44 H new ATOM 21 N HIS A 3 22.213 13.469 4.166 1.00 21.20 N ATOM 22 CA HIS A 3 22.414 12.159 3.526 1.00 71.11 C ATOM 23 C HIS A 3 22.106 11.007 4.488 1.00 75.55 C ATOM 24 O HIS A 3 22.881 10.058 4.610 1.00 14.15 O ATOM 25 CB HIS A 3 23.848 12.025 2.985 1.00 20.00 C ATOM 26 CG HIS A 3 24.168 12.956 1.855 1.00 3.24 C ATOM 27 ND1 HIS A 3 23.943 12.644 0.534 1.00 23.11 N ATOM 28 CD2 HIS A 3 24.706 14.197 1.856 1.00 34.21 C ATOM 29 CE1 HIS A 3 24.327 13.649 -0.225 1.00 12.45 C ATOM 30 NE2 HIS A 3 24.793 14.603 0.551 1.00 31.11 N ATOM 0 H HIS A 3 23.072 13.923 4.475 1.00 21.20 H new ATOM 0 HA HIS A 3 21.716 12.099 2.691 1.00 71.11 H new ATOM 0 HB2 HIS A 3 24.550 12.205 3.799 1.00 20.00 H new ATOM 0 HB3 HIS A 3 24.004 10.999 2.651 1.00 20.00 H new ATOM 0 HD2 HIS A 3 25.010 14.762 2.724 1.00 34.21 H new ATOM 0 HE1 HIS A 3 24.269 13.684 -1.303 1.00 12.45 H new ATOM 0 HE2 HIS A 3 25.160 15.500 0.233 1.00 31.11 H new ATOM 39 N MET A 4 20.962 11.085 5.140 1.00 22.12 N ATOM 40 CA MET A 4 20.533 10.069 6.093 1.00 0.13 C ATOM 41 C MET A 4 19.074 9.718 5.863 1.00 21.54 C ATOM 42 O MET A 4 18.388 10.365 5.063 1.00 44.12 O ATOM 43 CB MET A 4 20.722 10.561 7.537 1.00 20.41 C ATOM 44 CG MET A 4 22.173 10.685 7.976 1.00 63.40 C ATOM 45 SD MET A 4 23.044 9.104 7.945 1.00 51.42 S ATOM 46 CE MET A 4 24.625 9.583 8.633 1.00 64.52 C ATOM 0 H MET A 4 20.301 11.853 5.027 1.00 22.12 H new ATOM 0 HA MET A 4 21.147 9.181 5.942 1.00 0.13 H new ATOM 0 HB2 MET A 4 20.239 11.533 7.643 1.00 20.41 H new ATOM 0 HB3 MET A 4 20.209 9.875 8.211 1.00 20.41 H new ATOM 0 HG2 MET A 4 22.687 11.392 7.324 1.00 63.40 H new ATOM 0 HG3 MET A 4 22.210 11.096 8.985 1.00 63.40 H new ATOM 0 HE1 MET A 4 25.280 8.713 8.680 1.00 64.52 H new ATOM 0 HE2 MET A 4 25.080 10.346 8.002 1.00 64.52 H new ATOM 0 HE3 MET A 4 24.479 9.982 9.637 1.00 64.52 H new ATOM 56 N GLU A 5 18.604 8.691 6.546 1.00 55.35 N ATOM 57 CA GLU A 5 17.215 8.296 6.457 1.00 20.35 C ATOM 58 C GLU A 5 16.386 9.071 7.469 1.00 53.21 C ATOM 59 O GLU A 5 16.750 9.150 8.647 1.00 1.31 O ATOM 60 CB GLU A 5 17.045 6.784 6.688 1.00 4.42 C ATOM 61 CG GLU A 5 17.221 5.923 5.440 1.00 11.12 C ATOM 62 CD GLU A 5 18.618 5.976 4.864 1.00 30.15 C ATOM 63 OE1 GLU A 5 19.453 5.130 5.243 1.00 23.02 O ATOM 64 OE2 GLU A 5 18.885 6.852 4.015 1.00 5.51 O ATOM 0 H GLU A 5 19.168 8.115 7.170 1.00 55.35 H new ATOM 0 HA GLU A 5 16.866 8.525 5.450 1.00 20.35 H new ATOM 0 HB2 GLU A 5 17.766 6.462 7.439 1.00 4.42 H new ATOM 0 HB3 GLU A 5 16.052 6.603 7.100 1.00 4.42 H new ATOM 0 HG2 GLU A 5 16.976 4.889 5.684 1.00 11.12 H new ATOM 0 HG3 GLU A 5 16.510 6.249 4.680 1.00 11.12 H new ATOM 71 N PRO A 6 15.279 9.682 7.021 1.00 62.23 N ATOM 72 CA PRO A 6 14.379 10.419 7.906 1.00 70.02 C ATOM 73 C PRO A 6 13.767 9.496 8.953 1.00 2.41 C ATOM 74 O PRO A 6 13.236 8.441 8.624 1.00 22.41 O ATOM 75 CB PRO A 6 13.296 10.963 6.961 1.00 10.33 C ATOM 76 CG PRO A 6 13.393 10.126 5.731 1.00 55.01 C ATOM 77 CD PRO A 6 14.826 9.705 5.622 1.00 62.11 C ATOM 0 HA PRO A 6 14.890 11.206 8.461 1.00 70.02 H new ATOM 0 HB2 PRO A 6 12.306 10.887 7.412 1.00 10.33 H new ATOM 0 HB3 PRO A 6 13.464 12.016 6.735 1.00 10.33 H new ATOM 0 HG2 PRO A 6 12.737 9.258 5.798 1.00 55.01 H new ATOM 0 HG3 PRO A 6 13.085 10.691 4.851 1.00 55.01 H new ATOM 0 HD2 PRO A 6 14.923 8.727 5.152 1.00 62.11 H new ATOM 0 HD3 PRO A 6 15.407 10.406 5.023 1.00 62.11 H new ATOM 85 N ALA A 7 13.848 9.891 10.203 1.00 71.45 N ATOM 86 CA ALA A 7 13.353 9.069 11.297 1.00 23.42 C ATOM 87 C ALA A 7 11.833 9.105 11.394 1.00 54.32 C ATOM 88 O ALA A 7 11.224 8.211 11.975 1.00 75.31 O ATOM 89 CB ALA A 7 13.975 9.511 12.608 1.00 42.55 C ATOM 0 H ALA A 7 14.253 10.781 10.494 1.00 71.45 H new ATOM 0 HA ALA A 7 13.643 8.039 11.091 1.00 23.42 H new ATOM 0 HB1 ALA A 7 13.596 8.888 13.419 1.00 42.55 H new ATOM 0 HB2 ALA A 7 15.059 9.410 12.549 1.00 42.55 H new ATOM 0 HB3 ALA A 7 13.717 10.553 12.800 1.00 42.55 H new ATOM 95 N ARG A 8 11.226 10.137 10.826 1.00 34.44 N ATOM 96 CA ARG A 8 9.776 10.297 10.881 1.00 73.03 C ATOM 97 C ARG A 8 9.220 10.705 9.522 1.00 11.51 C ATOM 98 O ARG A 8 9.546 11.776 9.002 1.00 75.14 O ATOM 99 CB ARG A 8 9.408 11.350 11.934 1.00 55.24 C ATOM 100 CG ARG A 8 9.822 10.974 13.347 1.00 30.40 C ATOM 101 CD ARG A 8 9.721 12.155 14.293 1.00 41.04 C ATOM 102 NE ARG A 8 10.082 11.786 15.663 1.00 34.12 N ATOM 103 CZ ARG A 8 10.774 12.562 16.501 1.00 5.20 C ATOM 104 NH1 ARG A 8 11.203 13.763 16.111 1.00 72.12 N ATOM 105 NH2 ARG A 8 11.039 12.138 17.734 1.00 24.22 N ATOM 0 H ARG A 8 11.713 10.877 10.321 1.00 34.44 H new ATOM 0 HA ARG A 8 9.335 9.339 11.157 1.00 73.03 H new ATOM 0 HB2 ARG A 8 9.878 12.297 11.667 1.00 55.24 H new ATOM 0 HB3 ARG A 8 8.330 11.512 11.912 1.00 55.24 H new ATOM 0 HG2 ARG A 8 9.189 10.163 13.708 1.00 30.40 H new ATOM 0 HG3 ARG A 8 10.846 10.600 13.339 1.00 30.40 H new ATOM 0 HD2 ARG A 8 10.376 12.955 13.947 1.00 41.04 H new ATOM 0 HD3 ARG A 8 8.704 12.547 14.278 1.00 41.04 H new ATOM 0 HE ARG A 8 9.784 10.871 16.001 1.00 34.12 H new ATOM 0 HH11 ARG A 8 11.003 14.094 15.167 1.00 72.12 H new ATOM 0 HH12 ARG A 8 11.731 14.350 16.757 1.00 72.12 H new ATOM 0 HH21 ARG A 8 10.714 11.221 18.039 1.00 24.22 H new ATOM 0 HH22 ARG A 8 11.568 12.730 18.374 1.00 24.22 H new ATOM 119 N VAL A 9 8.397 9.857 8.939 1.00 20.41 N ATOM 120 CA VAL A 9 7.795 10.158 7.649 1.00 30.32 C ATOM 121 C VAL A 9 6.289 10.002 7.702 1.00 13.35 C ATOM 122 O VAL A 9 5.759 9.324 8.584 1.00 72.42 O ATOM 123 CB VAL A 9 8.357 9.269 6.511 1.00 42.43 C ATOM 124 CG1 VAL A 9 9.853 9.471 6.359 1.00 10.43 C ATOM 125 CG2 VAL A 9 8.034 7.804 6.754 1.00 20.11 C ATOM 0 H VAL A 9 8.128 8.956 9.334 1.00 20.41 H new ATOM 0 HA VAL A 9 8.050 11.195 7.429 1.00 30.32 H new ATOM 0 HB VAL A 9 7.876 9.570 5.581 1.00 42.43 H new ATOM 0 HG11 VAL A 9 10.226 8.837 5.555 1.00 10.43 H new ATOM 0 HG12 VAL A 9 10.057 10.515 6.122 1.00 10.43 H new ATOM 0 HG13 VAL A 9 10.352 9.206 7.291 1.00 10.43 H new ATOM 0 HG21 VAL A 9 8.440 7.202 5.941 1.00 20.11 H new ATOM 0 HG22 VAL A 9 8.477 7.485 7.697 1.00 20.11 H new ATOM 0 HG23 VAL A 9 6.953 7.672 6.798 1.00 20.11 H new ATOM 135 N ARG A 10 5.607 10.644 6.768 1.00 4.04 N ATOM 136 CA ARG A 10 4.165 10.550 6.670 1.00 12.14 C ATOM 137 C ARG A 10 3.784 9.926 5.338 1.00 1.12 C ATOM 138 O ARG A 10 4.053 10.494 4.271 1.00 51.34 O ATOM 139 CB ARG A 10 3.519 11.931 6.831 1.00 64.15 C ATOM 140 CG ARG A 10 2.022 11.951 6.565 1.00 42.24 C ATOM 141 CD ARG A 10 1.418 13.309 6.876 1.00 31.54 C ATOM 142 NE ARG A 10 1.287 13.534 8.319 1.00 65.11 N ATOM 143 CZ ARG A 10 1.436 14.718 8.921 1.00 63.02 C ATOM 144 NH1 ARG A 10 1.806 15.787 8.225 1.00 2.15 N ATOM 145 NH2 ARG A 10 1.232 14.825 10.226 1.00 74.20 N ATOM 0 H ARG A 10 6.037 11.241 6.061 1.00 4.04 H new ATOM 0 HA ARG A 10 3.795 9.915 7.475 1.00 12.14 H new ATOM 0 HB2 ARG A 10 3.702 12.290 7.844 1.00 64.15 H new ATOM 0 HB3 ARG A 10 4.007 12.630 6.152 1.00 64.15 H new ATOM 0 HG2 ARG A 10 1.834 11.699 5.521 1.00 42.24 H new ATOM 0 HG3 ARG A 10 1.534 11.187 7.171 1.00 42.24 H new ATOM 0 HD2 ARG A 10 2.041 14.091 6.442 1.00 31.54 H new ATOM 0 HD3 ARG A 10 0.437 13.386 6.407 1.00 31.54 H new ATOM 0 HE ARG A 10 1.066 12.729 8.905 1.00 65.11 H new ATOM 0 HH11 ARG A 10 1.979 15.708 7.223 1.00 2.15 H new ATOM 0 HH12 ARG A 10 1.917 16.687 8.693 1.00 2.15 H new ATOM 0 HH21 ARG A 10 0.962 14.005 10.769 1.00 74.20 H new ATOM 0 HH22 ARG A 10 1.345 15.728 10.688 1.00 74.20 H new ATOM 159 N CYS A 11 3.186 8.752 5.395 1.00 74.44 N ATOM 160 CA CYS A 11 2.826 8.035 4.188 1.00 51.32 C ATOM 161 C CYS A 11 1.481 7.333 4.335 1.00 42.03 C ATOM 162 O CYS A 11 1.023 7.049 5.449 1.00 4.41 O ATOM 163 CB CYS A 11 3.909 7.001 3.846 1.00 60.33 C ATOM 164 SG CYS A 11 5.580 7.680 3.738 1.00 24.42 S ATOM 0 H CYS A 11 2.940 8.275 6.262 1.00 74.44 H new ATOM 0 HA CYS A 11 2.745 8.764 3.382 1.00 51.32 H new ATOM 0 HB2 CYS A 11 3.897 6.216 4.602 1.00 60.33 H new ATOM 0 HB3 CYS A 11 3.658 6.531 2.895 1.00 60.33 H new ATOM 0 HG CYS A 11 6.307 7.200 4.703 1.00 24.42 H new ATOM 170 N SER A 12 0.860 7.069 3.209 1.00 52.24 N ATOM 171 CA SER A 12 -0.387 6.349 3.156 1.00 44.55 C ATOM 172 C SER A 12 -0.127 4.968 2.549 1.00 3.12 C ATOM 173 O SER A 12 0.859 4.788 1.820 1.00 42.24 O ATOM 174 CB SER A 12 -1.394 7.129 2.317 1.00 63.23 C ATOM 175 OG SER A 12 -1.484 8.472 2.766 1.00 75.10 O ATOM 0 H SER A 12 1.212 7.352 2.295 1.00 52.24 H new ATOM 0 HA SER A 12 -0.800 6.229 4.158 1.00 44.55 H new ATOM 0 HB2 SER A 12 -1.095 7.109 1.269 1.00 63.23 H new ATOM 0 HB3 SER A 12 -2.373 6.653 2.378 1.00 63.23 H new ATOM 0 HG SER A 12 -2.133 8.958 2.216 1.00 75.10 H new ATOM 181 N HIS A 13 -0.987 3.996 2.830 1.00 63.15 N ATOM 182 CA HIS A 13 -0.741 2.636 2.346 1.00 74.14 C ATOM 183 C HIS A 13 -2.023 1.909 1.934 1.00 74.23 C ATOM 184 O HIS A 13 -3.074 2.058 2.563 1.00 55.21 O ATOM 185 CB HIS A 13 0.021 1.811 3.405 1.00 51.42 C ATOM 186 CG HIS A 13 -0.765 1.505 4.658 1.00 54.30 C ATOM 187 ND1 HIS A 13 -0.711 0.289 5.299 1.00 4.30 N ATOM 188 CD2 HIS A 13 -1.616 2.269 5.389 1.00 45.13 C ATOM 189 CE1 HIS A 13 -1.492 0.314 6.360 1.00 22.23 C ATOM 190 NE2 HIS A 13 -2.050 1.503 6.437 1.00 41.01 N ATOM 0 H HIS A 13 -1.841 4.114 3.376 1.00 63.15 H new ATOM 0 HA HIS A 13 -0.127 2.733 1.450 1.00 74.14 H new ATOM 0 HB2 HIS A 13 0.338 0.871 2.953 1.00 51.42 H new ATOM 0 HB3 HIS A 13 0.926 2.351 3.684 1.00 51.42 H new ATOM 0 HD1 HIS A 13 -0.152 -0.510 4.999 1.00 4.30 H new ATOM 0 HD2 HIS A 13 -1.898 3.291 5.182 1.00 45.13 H new ATOM 0 HE1 HIS A 13 -1.648 -0.503 7.049 1.00 22.23 H new ATOM 199 N LEU A 14 -1.910 1.123 0.875 1.00 72.44 N ATOM 200 CA LEU A 14 -3.006 0.300 0.375 1.00 22.34 C ATOM 201 C LEU A 14 -2.543 -1.151 0.319 1.00 33.31 C ATOM 202 O LEU A 14 -1.377 -1.413 0.025 1.00 14.21 O ATOM 203 CB LEU A 14 -3.424 0.761 -1.032 1.00 52.11 C ATOM 204 CG LEU A 14 -4.623 0.029 -1.650 1.00 14.20 C ATOM 205 CD1 LEU A 14 -5.900 0.393 -0.931 1.00 22.11 C ATOM 206 CD2 LEU A 14 -4.744 0.340 -3.131 1.00 71.20 C ATOM 0 H LEU A 14 -1.050 1.036 0.333 1.00 72.44 H new ATOM 0 HA LEU A 14 -3.863 0.397 1.041 1.00 22.34 H new ATOM 0 HB2 LEU A 14 -3.655 1.825 -0.990 1.00 52.11 H new ATOM 0 HB3 LEU A 14 -2.570 0.646 -1.699 1.00 52.11 H new ATOM 0 HG LEU A 14 -4.456 -1.042 -1.538 1.00 14.20 H new ATOM 0 HD11 LEU A 14 -6.737 -0.137 -1.385 1.00 22.11 H new ATOM 0 HD12 LEU A 14 -5.819 0.112 0.119 1.00 22.11 H new ATOM 0 HD13 LEU A 14 -6.067 1.467 -1.007 1.00 22.11 H new ATOM 0 HD21 LEU A 14 -5.601 -0.191 -3.545 1.00 71.20 H new ATOM 0 HD22 LEU A 14 -4.881 1.413 -3.268 1.00 71.20 H new ATOM 0 HD23 LEU A 14 -3.837 0.022 -3.645 1.00 71.20 H new ATOM 218 N LEU A 15 -3.430 -2.085 0.623 1.00 2.22 N ATOM 219 CA LEU A 15 -3.076 -3.499 0.578 1.00 71.53 C ATOM 220 C LEU A 15 -4.204 -4.340 0.015 1.00 50.35 C ATOM 221 O LEU A 15 -5.375 -4.151 0.360 1.00 15.42 O ATOM 222 CB LEU A 15 -2.685 -4.022 1.969 1.00 65.43 C ATOM 223 CG LEU A 15 -2.443 -5.544 2.068 1.00 52.32 C ATOM 224 CD1 LEU A 15 -1.284 -5.974 1.187 1.00 52.44 C ATOM 225 CD2 LEU A 15 -2.196 -5.962 3.504 1.00 23.53 C ATOM 0 H LEU A 15 -4.393 -1.895 0.901 1.00 2.22 H new ATOM 0 HA LEU A 15 -2.215 -3.586 -0.085 1.00 71.53 H new ATOM 0 HB2 LEU A 15 -1.779 -3.507 2.289 1.00 65.43 H new ATOM 0 HB3 LEU A 15 -3.472 -3.751 2.673 1.00 65.43 H new ATOM 0 HG LEU A 15 -3.345 -6.044 1.713 1.00 52.32 H new ATOM 0 HD11 LEU A 15 -1.138 -7.050 1.278 1.00 52.44 H new ATOM 0 HD12 LEU A 15 -1.504 -5.724 0.149 1.00 52.44 H new ATOM 0 HD13 LEU A 15 -0.377 -5.457 1.501 1.00 52.44 H new ATOM 0 HD21 LEU A 15 -2.028 -7.038 3.546 1.00 23.53 H new ATOM 0 HD22 LEU A 15 -1.318 -5.443 3.888 1.00 23.53 H new ATOM 0 HD23 LEU A 15 -3.064 -5.706 4.112 1.00 23.53 H new ATOM 237 N VAL A 16 -3.839 -5.257 -0.857 1.00 40.22 N ATOM 238 CA VAL A 16 -4.767 -6.204 -1.425 1.00 2.01 C ATOM 239 C VAL A 16 -4.172 -7.611 -1.305 1.00 2.11 C ATOM 240 O VAL A 16 -2.960 -7.798 -1.477 1.00 65.43 O ATOM 241 CB VAL A 16 -5.089 -5.874 -2.913 1.00 33.35 C ATOM 242 CG1 VAL A 16 -3.846 -5.980 -3.788 1.00 60.13 C ATOM 243 CG2 VAL A 16 -6.204 -6.769 -3.443 1.00 74.35 C ATOM 0 H VAL A 16 -2.882 -5.364 -1.192 1.00 40.22 H new ATOM 0 HA VAL A 16 -5.706 -6.147 -0.875 1.00 2.01 H new ATOM 0 HB VAL A 16 -5.435 -4.841 -2.953 1.00 33.35 H new ATOM 0 HG11 VAL A 16 -4.106 -5.743 -4.820 1.00 60.13 H new ATOM 0 HG12 VAL A 16 -3.091 -5.278 -3.434 1.00 60.13 H new ATOM 0 HG13 VAL A 16 -3.451 -6.994 -3.737 1.00 60.13 H new ATOM 0 HG21 VAL A 16 -6.409 -6.518 -4.484 1.00 74.35 H new ATOM 0 HG22 VAL A 16 -5.896 -7.812 -3.376 1.00 74.35 H new ATOM 0 HG23 VAL A 16 -7.105 -6.618 -2.849 1.00 74.35 H new ATOM 253 N LYS A 17 -5.005 -8.583 -0.975 1.00 10.45 N ATOM 254 CA LYS A 17 -4.543 -9.955 -0.814 1.00 51.15 C ATOM 255 C LYS A 17 -4.432 -10.653 -2.161 1.00 73.22 C ATOM 256 O LYS A 17 -4.747 -10.075 -3.203 1.00 30.24 O ATOM 257 CB LYS A 17 -5.489 -10.744 0.094 1.00 65.51 C ATOM 258 CG LYS A 17 -5.545 -10.250 1.532 1.00 10.24 C ATOM 259 CD LYS A 17 -6.609 -11.000 2.319 1.00 1.02 C ATOM 260 CE LYS A 17 -6.581 -10.649 3.799 1.00 14.52 C ATOM 261 NZ LYS A 17 -5.324 -11.089 4.454 1.00 40.35 N ATOM 0 H LYS A 17 -6.003 -8.450 -0.813 1.00 10.45 H new ATOM 0 HA LYS A 17 -3.556 -9.918 -0.353 1.00 51.15 H new ATOM 0 HB2 LYS A 17 -6.493 -10.706 -0.329 1.00 65.51 H new ATOM 0 HB3 LYS A 17 -5.183 -11.790 0.095 1.00 65.51 H new ATOM 0 HG2 LYS A 17 -4.573 -10.385 2.006 1.00 10.24 H new ATOM 0 HG3 LYS A 17 -5.761 -9.182 1.546 1.00 10.24 H new ATOM 0 HD2 LYS A 17 -7.592 -10.768 1.910 1.00 1.02 H new ATOM 0 HD3 LYS A 17 -6.459 -12.073 2.199 1.00 1.02 H new ATOM 0 HE2 LYS A 17 -6.693 -9.571 3.918 1.00 14.52 H new ATOM 0 HE3 LYS A 17 -7.431 -11.115 4.298 1.00 14.52 H new ATOM 0 HZ1 LYS A 17 -5.415 -10.985 5.485 1.00 40.35 H new ATOM 0 HZ2 LYS A 17 -5.142 -12.086 4.221 1.00 40.35 H new ATOM 0 HZ3 LYS A 17 -4.533 -10.504 4.116 1.00 40.35 H new ATOM 275 N HIS A 18 -3.989 -11.896 -2.130 1.00 74.30 N ATOM 276 CA HIS A 18 -3.851 -12.695 -3.332 1.00 35.41 C ATOM 277 C HIS A 18 -4.061 -14.168 -3.008 1.00 5.03 C ATOM 278 O HIS A 18 -4.057 -14.551 -1.835 1.00 31.35 O ATOM 279 CB HIS A 18 -2.487 -12.450 -4.030 1.00 4.31 C ATOM 280 CG HIS A 18 -1.269 -12.761 -3.199 1.00 73.11 C ATOM 281 ND1 HIS A 18 -0.928 -12.381 -1.949 1.00 10.21 N flip ATOM 282 CD2 HIS A 18 -0.221 -13.519 -3.659 1.00 0.33 C flip ATOM 283 CE1 HIS A 18 0.307 -12.912 -1.679 1.00 44.42 C flip ATOM 284 NE2 HIS A 18 0.709 -13.593 -2.733 1.00 11.34 N flip ATOM 0 H HIS A 18 -3.716 -12.378 -1.274 1.00 74.30 H new ATOM 0 HA HIS A 18 -4.622 -12.387 -4.038 1.00 35.41 H new ATOM 0 HB2 HIS A 18 -2.450 -13.052 -4.938 1.00 4.31 H new ATOM 0 HB3 HIS A 18 -2.438 -11.406 -4.338 1.00 4.31 H new ATOM 0 HD1 HIS A 18 -1.487 -11.804 -1.320 1.00 10.21 H new ATOM 0 HD2 HIS A 18 -0.169 -13.983 -4.633 1.00 0.33 H new ATOM 0 HE1 HIS A 18 0.858 -12.792 -0.758 1.00 44.42 H new ATOM 293 N SER A 19 -4.240 -14.976 -4.045 1.00 30.21 N ATOM 294 CA SER A 19 -4.537 -16.403 -3.904 1.00 23.23 C ATOM 295 C SER A 19 -3.507 -17.150 -3.041 1.00 53.04 C ATOM 296 O SER A 19 -3.865 -18.041 -2.270 1.00 32.41 O ATOM 297 CB SER A 19 -4.641 -17.047 -5.286 1.00 60.42 C ATOM 298 OG SER A 19 -3.480 -16.780 -6.064 1.00 4.11 O ATOM 0 H SER A 19 -4.184 -14.662 -5.014 1.00 30.21 H new ATOM 0 HA SER A 19 -5.491 -16.483 -3.383 1.00 23.23 H new ATOM 0 HB2 SER A 19 -4.772 -18.124 -5.180 1.00 60.42 H new ATOM 0 HB3 SER A 19 -5.523 -16.668 -5.802 1.00 60.42 H new ATOM 0 HG SER A 19 -3.570 -17.204 -6.943 1.00 4.11 H new ATOM 304 N GLN A 20 -2.241 -16.800 -3.184 1.00 0.10 N ATOM 305 CA GLN A 20 -1.190 -17.450 -2.416 1.00 51.24 C ATOM 306 C GLN A 20 -0.911 -16.693 -1.123 1.00 72.03 C ATOM 307 O GLN A 20 -0.021 -15.851 -1.065 1.00 75.22 O ATOM 308 CB GLN A 20 0.092 -17.581 -3.246 1.00 70.22 C ATOM 309 CG GLN A 20 -0.046 -18.484 -4.466 1.00 5.42 C ATOM 310 CD GLN A 20 -0.322 -19.930 -4.098 1.00 32.53 C ATOM 311 OE1 GLN A 20 0.604 -20.729 -3.918 1.00 1.35 O ATOM 312 NE2 GLN A 20 -1.588 -20.282 -3.989 1.00 14.22 N ATOM 0 H GLN A 20 -1.915 -16.073 -3.821 1.00 0.10 H new ATOM 0 HA GLN A 20 -1.537 -18.451 -2.158 1.00 51.24 H new ATOM 0 HB2 GLN A 20 0.402 -16.589 -3.575 1.00 70.22 H new ATOM 0 HB3 GLN A 20 0.887 -17.968 -2.609 1.00 70.22 H new ATOM 0 HG2 GLN A 20 -0.854 -18.114 -5.097 1.00 5.42 H new ATOM 0 HG3 GLN A 20 0.869 -18.432 -5.056 1.00 5.42 H new ATOM 0 HE21 GLN A 20 -2.324 -19.593 -4.145 1.00 14.22 H new ATOM 0 HE22 GLN A 20 -1.831 -21.243 -3.748 1.00 14.22 H new ATOM 321 N SER A 21 -1.690 -16.976 -0.103 1.00 40.04 N ATOM 322 CA SER A 21 -1.514 -16.334 1.179 1.00 13.51 C ATOM 323 C SER A 21 -2.148 -17.193 2.270 1.00 3.11 C ATOM 324 O SER A 21 -2.835 -18.170 1.971 1.00 2.51 O ATOM 325 CB SER A 21 -2.127 -14.927 1.160 1.00 15.32 C ATOM 326 OG SER A 21 -1.590 -14.118 2.200 1.00 71.52 O ATOM 0 H SER A 21 -2.455 -17.650 -0.138 1.00 40.04 H new ATOM 0 HA SER A 21 -0.449 -16.231 1.389 1.00 13.51 H new ATOM 0 HB2 SER A 21 -1.936 -14.457 0.195 1.00 15.32 H new ATOM 0 HB3 SER A 21 -3.209 -14.997 1.272 1.00 15.32 H new ATOM 0 HG SER A 21 -0.735 -13.737 1.910 1.00 71.52 H new ATOM 332 N ARG A 22 -1.924 -16.828 3.525 1.00 4.13 N ATOM 333 CA ARG A 22 -2.436 -17.612 4.644 1.00 52.12 C ATOM 334 C ARG A 22 -3.942 -17.413 4.853 1.00 34.22 C ATOM 335 O ARG A 22 -4.610 -18.270 5.426 1.00 2.10 O ATOM 336 CB ARG A 22 -1.637 -17.318 5.937 1.00 0.33 C ATOM 337 CG ARG A 22 -1.638 -15.858 6.388 1.00 35.02 C ATOM 338 CD ARG A 22 -2.876 -15.521 7.195 1.00 23.33 C ATOM 339 NE ARG A 22 -2.910 -14.120 7.600 1.00 61.31 N ATOM 340 CZ ARG A 22 -3.766 -13.619 8.492 1.00 55.51 C ATOM 341 NH1 ARG A 22 -4.673 -14.411 9.070 1.00 10.20 N ATOM 342 NH2 ARG A 22 -3.720 -12.328 8.803 1.00 5.22 N ATOM 0 H ARG A 22 -1.394 -15.999 3.794 1.00 4.13 H new ATOM 0 HA ARG A 22 -2.295 -18.663 4.393 1.00 52.12 H new ATOM 0 HB2 ARG A 22 -2.043 -17.930 6.742 1.00 0.33 H new ATOM 0 HB3 ARG A 22 -0.605 -17.634 5.786 1.00 0.33 H new ATOM 0 HG2 ARG A 22 -0.749 -15.662 6.987 1.00 35.02 H new ATOM 0 HG3 ARG A 22 -1.584 -15.207 5.515 1.00 35.02 H new ATOM 0 HD2 ARG A 22 -3.764 -15.748 6.605 1.00 23.33 H new ATOM 0 HD3 ARG A 22 -2.912 -16.154 8.082 1.00 23.33 H new ATOM 0 HE ARG A 22 -2.237 -13.483 7.174 1.00 61.31 H new ATOM 0 HH11 ARG A 22 -4.712 -15.402 8.830 1.00 10.20 H new ATOM 0 HH12 ARG A 22 -5.326 -14.025 9.752 1.00 10.20 H new ATOM 0 HH21 ARG A 22 -3.031 -11.721 8.360 1.00 5.22 H new ATOM 0 HH22 ARG A 22 -4.374 -11.944 9.485 1.00 5.22 H new ATOM 356 N ARG A 23 -4.472 -16.291 4.396 1.00 43.00 N ATOM 357 CA ARG A 23 -5.896 -16.017 4.532 1.00 5.04 C ATOM 358 C ARG A 23 -6.353 -15.018 3.477 1.00 74.42 C ATOM 359 O ARG A 23 -6.311 -13.812 3.702 1.00 33.04 O ATOM 360 CB ARG A 23 -6.216 -15.477 5.935 1.00 63.23 C ATOM 361 CG ARG A 23 -7.706 -15.388 6.249 1.00 32.32 C ATOM 362 CD ARG A 23 -8.317 -16.768 6.462 1.00 11.43 C ATOM 363 NE ARG A 23 -7.701 -17.465 7.595 1.00 61.40 N ATOM 364 CZ ARG A 23 -8.326 -18.354 8.371 1.00 63.25 C ATOM 365 NH1 ARG A 23 -9.583 -18.704 8.119 1.00 4.34 N ATOM 366 NH2 ARG A 23 -7.683 -18.903 9.394 1.00 62.24 N ATOM 0 H ARG A 23 -3.941 -15.556 3.929 1.00 43.00 H new ATOM 0 HA ARG A 23 -6.433 -16.954 4.387 1.00 5.04 H new ATOM 0 HB2 ARG A 23 -5.738 -16.118 6.676 1.00 63.23 H new ATOM 0 HB3 ARG A 23 -5.775 -14.486 6.039 1.00 63.23 H new ATOM 0 HG2 ARG A 23 -7.855 -14.782 7.142 1.00 32.32 H new ATOM 0 HG3 ARG A 23 -8.221 -14.883 5.432 1.00 32.32 H new ATOM 0 HD2 ARG A 23 -9.389 -16.669 6.635 1.00 11.43 H new ATOM 0 HD3 ARG A 23 -8.194 -17.364 5.558 1.00 11.43 H new ATOM 0 HE ARG A 23 -6.725 -17.256 7.806 1.00 61.40 H new ATOM 0 HH11 ARG A 23 -10.078 -18.293 7.328 1.00 4.34 H new ATOM 0 HH12 ARG A 23 -10.053 -19.384 8.717 1.00 4.34 H new ATOM 0 HH21 ARG A 23 -6.715 -18.645 9.585 1.00 62.24 H new ATOM 0 HH22 ARG A 23 -8.157 -19.582 9.989 1.00 62.24 H new ATOM 380 N PRO A 24 -6.772 -15.509 2.301 1.00 72.51 N ATOM 381 CA PRO A 24 -7.266 -14.654 1.212 1.00 60.44 C ATOM 382 C PRO A 24 -8.633 -14.047 1.542 1.00 65.24 C ATOM 383 O PRO A 24 -9.114 -13.148 0.853 1.00 62.10 O ATOM 384 CB PRO A 24 -7.386 -15.619 0.016 1.00 45.22 C ATOM 385 CG PRO A 24 -6.659 -16.857 0.430 1.00 23.10 C ATOM 386 CD PRO A 24 -6.774 -16.925 1.919 1.00 72.41 C ATOM 0 HA PRO A 24 -6.605 -13.808 1.024 1.00 60.44 H new ATOM 0 HB2 PRO A 24 -8.430 -15.834 -0.212 1.00 45.22 H new ATOM 0 HB3 PRO A 24 -6.946 -15.187 -0.883 1.00 45.22 H new ATOM 0 HG2 PRO A 24 -7.096 -17.740 -0.036 1.00 23.10 H new ATOM 0 HG3 PRO A 24 -5.614 -16.818 0.121 1.00 23.10 H new ATOM 0 HD2 PRO A 24 -7.688 -17.429 2.233 1.00 72.41 H new ATOM 0 HD3 PRO A 24 -5.941 -17.467 2.366 1.00 72.41 H new ATOM 394 N SER A 25 -9.249 -14.554 2.592 1.00 3.14 N ATOM 395 CA SER A 25 -10.539 -14.074 3.040 1.00 74.54 C ATOM 396 C SER A 25 -10.404 -12.683 3.651 1.00 62.12 C ATOM 397 O SER A 25 -9.450 -12.410 4.383 1.00 64.51 O ATOM 398 CB SER A 25 -11.108 -15.045 4.067 1.00 62.01 C ATOM 399 OG SER A 25 -11.031 -16.380 3.589 1.00 31.34 O ATOM 0 H SER A 25 -8.867 -15.312 3.159 1.00 3.14 H new ATOM 0 HA SER A 25 -11.215 -14.011 2.187 1.00 74.54 H new ATOM 0 HB2 SER A 25 -10.558 -14.956 5.004 1.00 62.01 H new ATOM 0 HB3 SER A 25 -12.146 -14.789 4.282 1.00 62.01 H new ATOM 0 HG SER A 25 -11.399 -16.990 4.262 1.00 31.34 H new ATOM 405 N SER A 26 -11.346 -11.807 3.345 1.00 51.34 N ATOM 406 CA SER A 26 -11.314 -10.456 3.864 1.00 62.23 C ATOM 407 C SER A 26 -12.716 -9.993 4.242 1.00 53.11 C ATOM 408 O SER A 26 -13.699 -10.703 4.010 1.00 5.50 O ATOM 409 CB SER A 26 -10.699 -9.506 2.831 1.00 21.24 C ATOM 410 OG SER A 26 -11.436 -9.518 1.618 1.00 61.41 O ATOM 0 H SER A 26 -12.141 -12.010 2.739 1.00 51.34 H new ATOM 0 HA SER A 26 -10.696 -10.445 4.762 1.00 62.23 H new ATOM 0 HB2 SER A 26 -10.674 -8.494 3.234 1.00 21.24 H new ATOM 0 HB3 SER A 26 -9.667 -9.797 2.635 1.00 21.24 H new ATOM 0 HG SER A 26 -12.088 -10.249 1.639 1.00 61.41 H new ATOM 416 N TRP A 27 -12.807 -8.804 4.821 1.00 64.10 N ATOM 417 CA TRP A 27 -14.093 -8.238 5.205 1.00 62.44 C ATOM 418 C TRP A 27 -14.816 -7.659 3.989 1.00 22.44 C ATOM 419 O TRP A 27 -16.028 -7.453 4.012 1.00 13.54 O ATOM 420 CB TRP A 27 -13.918 -7.168 6.299 1.00 64.44 C ATOM 421 CG TRP A 27 -13.037 -6.013 5.906 1.00 75.14 C ATOM 422 CD1 TRP A 27 -11.675 -6.010 5.825 1.00 73.12 C ATOM 423 CD2 TRP A 27 -13.459 -4.687 5.559 1.00 64.44 C ATOM 424 NE1 TRP A 27 -11.225 -4.774 5.439 1.00 32.11 N ATOM 425 CE2 TRP A 27 -12.297 -3.942 5.271 1.00 42.04 C ATOM 426 CE3 TRP A 27 -14.703 -4.059 5.459 1.00 51.24 C ATOM 427 CZ2 TRP A 27 -12.345 -2.604 4.893 1.00 3.54 C ATOM 428 CZ3 TRP A 27 -14.749 -2.730 5.082 1.00 72.41 C ATOM 429 CH2 TRP A 27 -13.576 -2.016 4.804 1.00 23.12 C ATOM 0 H TRP A 27 -12.005 -8.212 5.035 1.00 64.10 H new ATOM 0 HA TRP A 27 -14.707 -9.041 5.614 1.00 62.44 H new ATOM 0 HB2 TRP A 27 -14.900 -6.783 6.573 1.00 64.44 H new ATOM 0 HB3 TRP A 27 -13.501 -7.640 7.188 1.00 64.44 H new ATOM 0 HD1 TRP A 27 -11.042 -6.860 6.035 1.00 73.12 H new ATOM 0 HE1 TRP A 27 -10.248 -4.516 5.300 1.00 32.11 H new ATOM 0 HE3 TRP A 27 -15.612 -4.602 5.672 1.00 51.24 H new ATOM 0 HZ2 TRP A 27 -11.443 -2.050 4.678 1.00 3.54 H new ATOM 0 HZ3 TRP A 27 -15.705 -2.234 5.000 1.00 72.41 H new ATOM 0 HH2 TRP A 27 -13.646 -0.978 4.513 1.00 23.12 H new ATOM 440 N ARG A 28 -14.067 -7.406 2.927 1.00 53.32 N ATOM 441 CA ARG A 28 -14.644 -6.869 1.706 1.00 22.33 C ATOM 442 C ARG A 28 -14.956 -7.988 0.724 1.00 62.12 C ATOM 443 O ARG A 28 -16.061 -8.074 0.192 1.00 1.14 O ATOM 444 CB ARG A 28 -13.705 -5.851 1.059 1.00 33.04 C ATOM 445 CG ARG A 28 -13.445 -4.618 1.911 1.00 71.41 C ATOM 446 CD ARG A 28 -12.558 -3.619 1.185 1.00 54.02 C ATOM 447 NE ARG A 28 -11.253 -4.190 0.841 1.00 21.42 N ATOM 448 CZ ARG A 28 -10.862 -4.481 -0.406 1.00 21.34 C ATOM 449 NH1 ARG A 28 -11.664 -4.224 -1.434 1.00 65.01 N ATOM 450 NH2 ARG A 28 -9.664 -5.015 -0.624 1.00 40.00 N ATOM 0 H ARG A 28 -13.060 -7.564 2.886 1.00 53.32 H new ATOM 0 HA ARG A 28 -15.573 -6.363 1.969 1.00 22.33 H new ATOM 0 HB2 ARG A 28 -12.754 -6.337 0.842 1.00 33.04 H new ATOM 0 HB3 ARG A 28 -14.128 -5.538 0.105 1.00 33.04 H new ATOM 0 HG2 ARG A 28 -14.393 -4.145 2.168 1.00 71.41 H new ATOM 0 HG3 ARG A 28 -12.972 -4.914 2.847 1.00 71.41 H new ATOM 0 HD2 ARG A 28 -13.058 -3.284 0.276 1.00 54.02 H new ATOM 0 HD3 ARG A 28 -12.414 -2.739 1.812 1.00 54.02 H new ATOM 0 HE ARG A 28 -10.600 -4.378 1.601 1.00 21.42 H new ATOM 0 HH11 ARG A 28 -12.580 -3.804 -1.274 1.00 65.01 H new ATOM 0 HH12 ARG A 28 -11.364 -4.447 -2.383 1.00 65.01 H new ATOM 0 HH21 ARG A 28 -9.040 -5.204 0.160 1.00 40.00 H new ATOM 0 HH22 ARG A 28 -9.369 -5.235 -1.575 1.00 40.00 H new ATOM 464 N GLN A 29 -13.981 -8.846 0.494 1.00 13.34 N ATOM 465 CA GLN A 29 -14.148 -9.967 -0.414 1.00 4.02 C ATOM 466 C GLN A 29 -14.166 -11.270 0.360 1.00 42.44 C ATOM 467 O GLN A 29 -13.387 -11.447 1.300 1.00 32.02 O ATOM 468 CB GLN A 29 -13.026 -9.987 -1.453 1.00 14.44 C ATOM 469 CG GLN A 29 -13.052 -8.803 -2.405 1.00 0.41 C ATOM 470 CD GLN A 29 -14.287 -8.794 -3.283 1.00 23.32 C ATOM 471 OE1 GLN A 29 -14.828 -9.848 -3.629 1.00 71.30 O ATOM 472 NE2 GLN A 29 -14.742 -7.615 -3.648 1.00 43.41 N ATOM 0 H GLN A 29 -13.059 -8.788 0.926 1.00 13.34 H new ATOM 0 HA GLN A 29 -15.100 -9.852 -0.933 1.00 4.02 H new ATOM 0 HB2 GLN A 29 -12.066 -10.006 -0.937 1.00 14.44 H new ATOM 0 HB3 GLN A 29 -13.095 -10.908 -2.031 1.00 14.44 H new ATOM 0 HG2 GLN A 29 -13.011 -7.878 -1.831 1.00 0.41 H new ATOM 0 HG3 GLN A 29 -12.162 -8.827 -3.034 1.00 0.41 H new ATOM 0 HE21 GLN A 29 -14.266 -6.767 -3.341 1.00 43.41 H new ATOM 0 HE22 GLN A 29 -15.571 -7.549 -4.238 1.00 43.41 H new ATOM 481 N GLU A 30 -15.055 -12.172 -0.036 1.00 20.25 N ATOM 482 CA GLU A 30 -15.203 -13.465 0.620 1.00 73.52 C ATOM 483 C GLU A 30 -13.857 -14.170 0.709 1.00 12.20 C ATOM 484 O GLU A 30 -13.382 -14.492 1.801 1.00 50.44 O ATOM 485 CB GLU A 30 -16.199 -14.337 -0.148 1.00 14.03 C ATOM 486 CG GLU A 30 -16.580 -15.617 0.572 1.00 11.11 C ATOM 487 CD GLU A 30 -17.375 -15.354 1.828 1.00 1.20 C ATOM 488 OE1 GLU A 30 -16.762 -15.093 2.886 1.00 64.13 O ATOM 489 OE2 GLU A 30 -18.621 -15.410 1.765 1.00 73.31 O ATOM 0 H GLU A 30 -15.692 -12.028 -0.819 1.00 20.25 H new ATOM 0 HA GLU A 30 -15.581 -13.300 1.629 1.00 73.52 H new ATOM 0 HB2 GLU A 30 -17.102 -13.757 -0.339 1.00 14.03 H new ATOM 0 HB3 GLU A 30 -15.772 -14.591 -1.118 1.00 14.03 H new ATOM 0 HG2 GLU A 30 -17.163 -16.248 -0.099 1.00 11.11 H new ATOM 0 HG3 GLU A 30 -15.676 -16.171 0.826 1.00 11.11 H new ATOM 496 N LYS A 31 -13.249 -14.389 -0.437 1.00 20.43 N ATOM 497 CA LYS A 31 -11.951 -15.012 -0.513 1.00 31.52 C ATOM 498 C LYS A 31 -11.245 -14.545 -1.770 1.00 63.11 C ATOM 499 O LYS A 31 -11.530 -15.029 -2.868 1.00 54.42 O ATOM 500 CB LYS A 31 -12.076 -16.541 -0.500 1.00 41.45 C ATOM 501 CG LYS A 31 -10.745 -17.271 -0.365 1.00 33.53 C ATOM 502 CD LYS A 31 -10.935 -18.782 -0.297 1.00 4.34 C ATOM 503 CE LYS A 31 -11.469 -19.344 -1.607 1.00 40.43 C ATOM 504 NZ LYS A 31 -11.693 -20.808 -1.531 1.00 71.54 N ATOM 0 H LYS A 31 -13.644 -14.138 -1.343 1.00 20.43 H new ATOM 0 HA LYS A 31 -11.365 -14.721 0.359 1.00 31.52 H new ATOM 0 HB2 LYS A 31 -12.725 -16.835 0.325 1.00 41.45 H new ATOM 0 HB3 LYS A 31 -12.564 -16.863 -1.420 1.00 41.45 H new ATOM 0 HG2 LYS A 31 -10.106 -17.022 -1.212 1.00 33.53 H new ATOM 0 HG3 LYS A 31 -10.231 -16.928 0.533 1.00 33.53 H new ATOM 0 HD2 LYS A 31 -9.984 -19.258 -0.058 1.00 4.34 H new ATOM 0 HD3 LYS A 31 -11.625 -19.026 0.511 1.00 4.34 H new ATOM 0 HE2 LYS A 31 -12.405 -18.846 -1.861 1.00 40.43 H new ATOM 0 HE3 LYS A 31 -10.764 -19.126 -2.410 1.00 40.43 H new ATOM 0 HZ1 LYS A 31 -12.057 -21.151 -2.443 1.00 71.54 H new ATOM 0 HZ2 LYS A 31 -10.795 -21.286 -1.314 1.00 71.54 H new ATOM 0 HZ3 LYS A 31 -12.385 -21.015 -0.782 1.00 71.54 H new ATOM 518 N ILE A 32 -10.349 -13.587 -1.608 1.00 32.11 N ATOM 519 CA ILE A 32 -9.609 -13.019 -2.721 1.00 35.21 C ATOM 520 C ILE A 32 -8.776 -14.100 -3.410 1.00 23.32 C ATOM 521 O ILE A 32 -7.728 -14.509 -2.916 1.00 62.11 O ATOM 522 CB ILE A 32 -8.710 -11.848 -2.245 1.00 14.03 C ATOM 523 CG1 ILE A 32 -9.579 -10.755 -1.605 1.00 63.15 C ATOM 524 CG2 ILE A 32 -7.912 -11.280 -3.404 1.00 14.14 C ATOM 525 CD1 ILE A 32 -8.801 -9.575 -1.058 1.00 12.35 C ATOM 0 H ILE A 32 -10.114 -13.181 -0.702 1.00 32.11 H new ATOM 0 HA ILE A 32 -10.322 -12.621 -3.443 1.00 35.21 H new ATOM 0 HB ILE A 32 -8.006 -12.224 -1.502 1.00 14.03 H new ATOM 0 HG12 ILE A 32 -10.290 -10.393 -2.347 1.00 63.15 H new ATOM 0 HG13 ILE A 32 -10.160 -11.198 -0.796 1.00 63.15 H new ATOM 0 HG21 ILE A 32 -7.288 -10.460 -3.049 1.00 14.14 H new ATOM 0 HG22 ILE A 32 -7.279 -12.060 -3.827 1.00 14.14 H new ATOM 0 HG23 ILE A 32 -8.595 -10.911 -4.170 1.00 14.14 H new ATOM 0 HD11 ILE A 32 -9.493 -8.852 -0.625 1.00 12.35 H new ATOM 0 HD12 ILE A 32 -8.109 -9.920 -0.290 1.00 12.35 H new ATOM 0 HD13 ILE A 32 -8.241 -9.103 -1.865 1.00 12.35 H new ATOM 537 N THR A 33 -9.263 -14.563 -4.550 1.00 21.24 N ATOM 538 CA THR A 33 -8.635 -15.658 -5.259 1.00 1.04 C ATOM 539 C THR A 33 -7.746 -15.151 -6.406 1.00 32.10 C ATOM 540 O THR A 33 -7.111 -15.944 -7.109 1.00 41.13 O ATOM 541 CB THR A 33 -9.706 -16.625 -5.815 1.00 1.44 C ATOM 542 OG1 THR A 33 -10.791 -16.734 -4.870 1.00 11.11 O ATOM 543 CG2 THR A 33 -9.117 -18.011 -6.046 1.00 63.02 C ATOM 0 H THR A 33 -10.098 -14.192 -5.004 1.00 21.24 H new ATOM 0 HA THR A 33 -8.003 -16.190 -4.548 1.00 1.04 H new ATOM 0 HB THR A 33 -10.066 -16.229 -6.765 1.00 1.44 H new ATOM 0 HG1 THR A 33 -11.471 -17.345 -5.222 1.00 11.11 H new ATOM 0 HG21 THR A 33 -9.889 -18.674 -6.437 1.00 63.02 H new ATOM 0 HG22 THR A 33 -8.299 -17.944 -6.763 1.00 63.02 H new ATOM 0 HG23 THR A 33 -8.741 -18.408 -5.103 1.00 63.02 H new ATOM 551 N ARG A 34 -7.699 -13.837 -6.594 1.00 1.53 N ATOM 552 CA ARG A 34 -6.863 -13.263 -7.642 1.00 74.32 C ATOM 553 C ARG A 34 -5.386 -13.504 -7.342 1.00 12.44 C ATOM 554 O ARG A 34 -4.912 -13.246 -6.234 1.00 12.33 O ATOM 555 CB ARG A 34 -7.154 -11.768 -7.841 1.00 53.50 C ATOM 556 CG ARG A 34 -6.950 -10.912 -6.608 1.00 11.45 C ATOM 557 CD ARG A 34 -7.256 -9.448 -6.890 1.00 32.35 C ATOM 558 NE ARG A 34 -8.581 -9.271 -7.499 1.00 41.33 N ATOM 559 CZ ARG A 34 -9.479 -8.357 -7.124 1.00 25.41 C ATOM 560 NH1 ARG A 34 -9.230 -7.546 -6.101 1.00 33.03 N ATOM 561 NH2 ARG A 34 -10.632 -8.256 -7.776 1.00 51.34 N ATOM 0 H ARG A 34 -8.222 -13.157 -6.043 1.00 1.53 H new ATOM 0 HA ARG A 34 -7.107 -13.765 -8.578 1.00 74.32 H new ATOM 0 HB2 ARG A 34 -6.514 -11.391 -8.638 1.00 53.50 H new ATOM 0 HB3 ARG A 34 -8.184 -11.654 -8.179 1.00 53.50 H new ATOM 0 HG2 ARG A 34 -7.592 -11.271 -5.804 1.00 11.45 H new ATOM 0 HG3 ARG A 34 -5.921 -11.010 -6.262 1.00 11.45 H new ATOM 0 HD2 ARG A 34 -7.206 -8.881 -5.960 1.00 32.35 H new ATOM 0 HD3 ARG A 34 -6.494 -9.040 -7.554 1.00 32.35 H new ATOM 0 HE ARG A 34 -8.834 -9.893 -8.266 1.00 41.33 H new ATOM 0 HH11 ARG A 34 -8.347 -7.619 -5.596 1.00 33.03 H new ATOM 0 HH12 ARG A 34 -9.922 -6.851 -5.821 1.00 33.03 H new ATOM 0 HH21 ARG A 34 -10.830 -8.876 -8.561 1.00 51.34 H new ATOM 0 HH22 ARG A 34 -11.320 -7.558 -7.491 1.00 51.34 H new ATOM 575 N THR A 35 -4.674 -14.023 -8.320 1.00 61.30 N ATOM 576 CA THR A 35 -3.278 -14.349 -8.150 1.00 44.51 C ATOM 577 C THR A 35 -2.383 -13.107 -8.300 1.00 54.51 C ATOM 578 O THR A 35 -2.875 -11.989 -8.505 1.00 54.41 O ATOM 579 CB THR A 35 -2.834 -15.465 -9.141 1.00 2.54 C ATOM 580 OG1 THR A 35 -1.505 -15.916 -8.830 1.00 54.05 O ATOM 581 CG2 THR A 35 -2.879 -14.970 -10.580 1.00 53.13 C ATOM 0 H THR A 35 -5.045 -14.229 -9.248 1.00 61.30 H new ATOM 0 HA THR A 35 -3.159 -14.726 -7.134 1.00 44.51 H new ATOM 0 HB THR A 35 -3.531 -16.297 -9.035 1.00 2.54 H new ATOM 0 HG1 THR A 35 -1.242 -16.618 -9.461 1.00 54.05 H new ATOM 0 HG21 THR A 35 -2.564 -15.770 -11.250 1.00 53.13 H new ATOM 0 HG22 THR A 35 -3.896 -14.668 -10.829 1.00 53.13 H new ATOM 0 HG23 THR A 35 -2.209 -14.118 -10.693 1.00 53.13 H new ATOM 589 N LYS A 36 -1.077 -13.328 -8.200 1.00 11.21 N ATOM 590 CA LYS A 36 -0.067 -12.277 -8.276 1.00 44.45 C ATOM 591 C LYS A 36 -0.253 -11.389 -9.509 1.00 43.42 C ATOM 592 O LYS A 36 -0.298 -10.170 -9.393 1.00 43.24 O ATOM 593 CB LYS A 36 1.324 -12.916 -8.294 1.00 33.12 C ATOM 594 CG LYS A 36 2.476 -11.935 -8.426 1.00 22.25 C ATOM 595 CD LYS A 36 3.799 -12.676 -8.501 1.00 15.04 C ATOM 596 CE LYS A 36 4.969 -11.724 -8.674 1.00 13.40 C ATOM 597 NZ LYS A 36 6.258 -12.454 -8.778 1.00 23.54 N ATOM 0 H LYS A 36 -0.683 -14.259 -8.061 1.00 11.21 H new ATOM 0 HA LYS A 36 -0.176 -11.638 -7.399 1.00 44.45 H new ATOM 0 HB2 LYS A 36 1.457 -13.489 -7.376 1.00 33.12 H new ATOM 0 HB3 LYS A 36 1.372 -13.624 -9.121 1.00 33.12 H new ATOM 0 HG2 LYS A 36 2.342 -11.326 -9.320 1.00 22.25 H new ATOM 0 HG3 LYS A 36 2.481 -11.254 -7.575 1.00 22.25 H new ATOM 0 HD2 LYS A 36 3.939 -13.263 -7.593 1.00 15.04 H new ATOM 0 HD3 LYS A 36 3.776 -13.378 -9.334 1.00 15.04 H new ATOM 0 HE2 LYS A 36 4.819 -11.121 -9.569 1.00 13.40 H new ATOM 0 HE3 LYS A 36 5.007 -11.036 -7.829 1.00 13.40 H new ATOM 0 HZ1 LYS A 36 7.035 -11.772 -8.895 1.00 23.54 H new ATOM 0 HZ2 LYS A 36 6.413 -13.010 -7.913 1.00 23.54 H new ATOM 0 HZ3 LYS A 36 6.230 -13.092 -9.599 1.00 23.54 H new ATOM 611 N GLU A 37 -0.369 -12.009 -10.681 1.00 50.40 N ATOM 612 CA GLU A 37 -0.532 -11.260 -11.928 1.00 1.01 C ATOM 613 C GLU A 37 -1.805 -10.412 -11.904 1.00 60.01 C ATOM 614 O GLU A 37 -1.786 -9.236 -12.278 1.00 51.24 O ATOM 615 CB GLU A 37 -0.542 -12.209 -13.129 1.00 65.45 C ATOM 616 CG GLU A 37 -0.820 -11.518 -14.456 1.00 51.32 C ATOM 617 CD GLU A 37 -0.774 -12.465 -15.629 1.00 42.54 C ATOM 618 OE1 GLU A 37 -1.655 -13.343 -15.726 1.00 43.40 O ATOM 619 OE2 GLU A 37 0.139 -12.330 -16.471 1.00 63.01 O ATOM 0 H GLU A 37 -0.354 -13.022 -10.795 1.00 50.40 H new ATOM 0 HA GLU A 37 0.318 -10.585 -12.025 1.00 1.01 H new ATOM 0 HB2 GLU A 37 0.422 -12.715 -13.188 1.00 65.45 H new ATOM 0 HB3 GLU A 37 -1.296 -12.979 -12.966 1.00 65.45 H new ATOM 0 HG2 GLU A 37 -1.801 -11.045 -14.415 1.00 51.32 H new ATOM 0 HG3 GLU A 37 -0.089 -10.724 -14.607 1.00 51.32 H new ATOM 626 N GLU A 38 -2.898 -11.011 -11.440 1.00 63.15 N ATOM 627 CA GLU A 38 -4.182 -10.317 -11.350 1.00 24.44 C ATOM 628 C GLU A 38 -4.066 -9.090 -10.452 1.00 4.14 C ATOM 629 O GLU A 38 -4.567 -8.016 -10.779 1.00 64.23 O ATOM 630 CB GLU A 38 -5.254 -11.252 -10.793 1.00 51.34 C ATOM 631 CG GLU A 38 -5.535 -12.471 -11.653 1.00 52.21 C ATOM 632 CD GLU A 38 -6.046 -12.108 -13.026 1.00 64.30 C ATOM 633 OE1 GLU A 38 -7.153 -11.544 -13.123 1.00 20.45 O ATOM 634 OE2 GLU A 38 -5.349 -12.397 -14.016 1.00 50.02 O ATOM 0 H GLU A 38 -2.921 -11.979 -11.119 1.00 63.15 H new ATOM 0 HA GLU A 38 -4.466 -10.000 -12.353 1.00 24.44 H new ATOM 0 HB2 GLU A 38 -4.948 -11.585 -9.801 1.00 51.34 H new ATOM 0 HB3 GLU A 38 -6.179 -10.690 -10.669 1.00 51.34 H new ATOM 0 HG2 GLU A 38 -4.622 -13.059 -11.753 1.00 52.21 H new ATOM 0 HG3 GLU A 38 -6.268 -13.103 -11.152 1.00 52.21 H new ATOM 641 N ALA A 39 -3.394 -9.257 -9.329 1.00 40.21 N ATOM 642 CA ALA A 39 -3.216 -8.176 -8.379 1.00 44.01 C ATOM 643 C ALA A 39 -2.229 -7.138 -8.905 1.00 74.23 C ATOM 644 O ALA A 39 -2.414 -5.944 -8.704 1.00 71.33 O ATOM 645 CB ALA A 39 -2.757 -8.724 -7.036 1.00 4.13 C ATOM 0 H ALA A 39 -2.960 -10.137 -9.051 1.00 40.21 H new ATOM 0 HA ALA A 39 -4.177 -7.681 -8.243 1.00 44.01 H new ATOM 0 HB1 ALA A 39 -2.627 -7.902 -6.333 1.00 4.13 H new ATOM 0 HB2 ALA A 39 -3.505 -9.417 -6.651 1.00 4.13 H new ATOM 0 HB3 ALA A 39 -1.809 -9.247 -7.161 1.00 4.13 H new ATOM 651 N LEU A 40 -1.194 -7.603 -9.595 1.00 51.23 N ATOM 652 CA LEU A 40 -0.161 -6.722 -10.135 1.00 41.40 C ATOM 653 C LEU A 40 -0.758 -5.720 -11.124 1.00 74.02 C ATOM 654 O LEU A 40 -0.516 -4.507 -11.017 1.00 62.52 O ATOM 655 CB LEU A 40 0.963 -7.557 -10.790 1.00 32.32 C ATOM 656 CG LEU A 40 2.251 -6.806 -11.204 1.00 61.33 C ATOM 657 CD1 LEU A 40 2.076 -6.088 -12.534 1.00 61.52 C ATOM 658 CD2 LEU A 40 2.674 -5.821 -10.121 1.00 5.14 C ATOM 0 H LEU A 40 -1.046 -8.592 -9.796 1.00 51.23 H new ATOM 0 HA LEU A 40 0.273 -6.151 -9.314 1.00 41.40 H new ATOM 0 HB2 LEU A 40 1.242 -8.350 -10.097 1.00 32.32 H new ATOM 0 HB3 LEU A 40 0.553 -8.039 -11.677 1.00 32.32 H new ATOM 0 HG LEU A 40 3.038 -7.550 -11.326 1.00 61.33 H new ATOM 0 HD11 LEU A 40 3.000 -5.572 -12.793 1.00 61.52 H new ATOM 0 HD12 LEU A 40 1.836 -6.814 -13.311 1.00 61.52 H new ATOM 0 HD13 LEU A 40 1.266 -5.363 -12.452 1.00 61.52 H new ATOM 0 HD21 LEU A 40 3.582 -5.304 -10.433 1.00 5.14 H new ATOM 0 HD22 LEU A 40 1.879 -5.093 -9.961 1.00 5.14 H new ATOM 0 HD23 LEU A 40 2.865 -6.360 -9.193 1.00 5.14 H new ATOM 670 N GLU A 41 -1.542 -6.217 -12.078 1.00 41.31 N ATOM 671 CA GLU A 41 -2.172 -5.341 -13.054 1.00 31.53 C ATOM 672 C GLU A 41 -3.200 -4.445 -12.377 1.00 53.41 C ATOM 673 O GLU A 41 -3.402 -3.297 -12.782 1.00 35.42 O ATOM 674 CB GLU A 41 -2.819 -6.136 -14.195 1.00 11.22 C ATOM 675 CG GLU A 41 -3.876 -7.131 -13.751 1.00 52.21 C ATOM 676 CD GLU A 41 -4.673 -7.680 -14.907 1.00 51.24 C ATOM 677 OE1 GLU A 41 -5.801 -7.189 -15.139 1.00 21.21 O ATOM 678 OE2 GLU A 41 -4.176 -8.592 -15.604 1.00 31.11 O ATOM 0 H GLU A 41 -1.752 -7.208 -12.193 1.00 41.31 H new ATOM 0 HA GLU A 41 -1.392 -4.717 -13.490 1.00 31.53 H new ATOM 0 HB2 GLU A 41 -3.270 -5.436 -14.898 1.00 11.22 H new ATOM 0 HB3 GLU A 41 -2.039 -6.672 -14.735 1.00 11.22 H new ATOM 0 HG2 GLU A 41 -3.396 -7.954 -13.221 1.00 52.21 H new ATOM 0 HG3 GLU A 41 -4.551 -6.648 -13.045 1.00 52.21 H new ATOM 685 N LEU A 42 -3.838 -4.974 -11.338 1.00 32.33 N ATOM 686 CA LEU A 42 -4.820 -4.232 -10.567 1.00 72.13 C ATOM 687 C LEU A 42 -4.158 -3.047 -9.873 1.00 23.12 C ATOM 688 O LEU A 42 -4.664 -1.921 -9.922 1.00 2.15 O ATOM 689 CB LEU A 42 -5.475 -5.146 -9.533 1.00 0.41 C ATOM 690 CG LEU A 42 -6.511 -4.491 -8.630 1.00 75.15 C ATOM 691 CD1 LEU A 42 -7.721 -4.044 -9.434 1.00 72.35 C ATOM 692 CD2 LEU A 42 -6.920 -5.436 -7.515 1.00 11.01 C ATOM 0 H LEU A 42 -3.687 -5.928 -11.010 1.00 32.33 H new ATOM 0 HA LEU A 42 -5.588 -3.858 -11.244 1.00 72.13 H new ATOM 0 HB2 LEU A 42 -5.950 -5.975 -10.058 1.00 0.41 H new ATOM 0 HB3 LEU A 42 -4.692 -5.573 -8.906 1.00 0.41 H new ATOM 0 HG LEU A 42 -6.062 -3.606 -8.178 1.00 75.15 H new ATOM 0 HD11 LEU A 42 -8.448 -3.579 -8.769 1.00 72.35 H new ATOM 0 HD12 LEU A 42 -7.409 -3.324 -10.191 1.00 72.35 H new ATOM 0 HD13 LEU A 42 -8.174 -4.908 -9.920 1.00 72.35 H new ATOM 0 HD21 LEU A 42 -7.661 -4.950 -6.880 1.00 11.01 H new ATOM 0 HD22 LEU A 42 -7.348 -6.342 -7.944 1.00 11.01 H new ATOM 0 HD23 LEU A 42 -6.045 -5.695 -6.919 1.00 11.01 H new ATOM 704 N ILE A 43 -3.020 -3.312 -9.236 1.00 22.54 N ATOM 705 CA ILE A 43 -2.250 -2.281 -8.553 1.00 64.43 C ATOM 706 C ILE A 43 -1.836 -1.197 -9.534 1.00 44.44 C ATOM 707 O ILE A 43 -1.998 -0.005 -9.264 1.00 72.51 O ATOM 708 CB ILE A 43 -0.988 -2.876 -7.872 1.00 64.13 C ATOM 709 CG1 ILE A 43 -1.387 -3.846 -6.748 1.00 73.14 C ATOM 710 CG2 ILE A 43 -0.078 -1.777 -7.338 1.00 75.01 C ATOM 711 CD1 ILE A 43 -2.209 -3.213 -5.643 1.00 63.20 C ATOM 0 H ILE A 43 -2.609 -4.244 -9.180 1.00 22.54 H new ATOM 0 HA ILE A 43 -2.886 -1.849 -7.780 1.00 64.43 H new ATOM 0 HB ILE A 43 -0.431 -3.432 -8.626 1.00 64.13 H new ATOM 0 HG12 ILE A 43 -1.954 -4.671 -7.180 1.00 73.14 H new ATOM 0 HG13 ILE A 43 -0.483 -4.273 -6.314 1.00 73.14 H new ATOM 0 HG21 ILE A 43 0.797 -2.226 -6.867 1.00 75.01 H new ATOM 0 HG22 ILE A 43 0.241 -1.137 -8.161 1.00 75.01 H new ATOM 0 HG23 ILE A 43 -0.620 -1.181 -6.604 1.00 75.01 H new ATOM 0 HD11 ILE A 43 -2.448 -3.965 -4.891 1.00 63.20 H new ATOM 0 HD12 ILE A 43 -1.639 -2.407 -5.182 1.00 63.20 H new ATOM 0 HD13 ILE A 43 -3.132 -2.811 -6.061 1.00 63.20 H new ATOM 723 N ASN A 44 -1.322 -1.618 -10.684 1.00 0.24 N ATOM 724 CA ASN A 44 -0.919 -0.682 -11.726 1.00 41.23 C ATOM 725 C ASN A 44 -2.099 0.148 -12.185 1.00 31.51 C ATOM 726 O ASN A 44 -1.950 1.323 -12.512 1.00 50.51 O ATOM 727 CB ASN A 44 -0.287 -1.412 -12.913 1.00 71.13 C ATOM 728 CG ASN A 44 1.202 -1.629 -12.737 1.00 64.12 C ATOM 729 OD1 ASN A 44 2.011 -0.790 -13.135 1.00 53.42 O ATOM 730 ND2 ASN A 44 1.577 -2.747 -12.143 1.00 13.23 N ATOM 0 H ASN A 44 -1.175 -2.600 -10.918 1.00 0.24 H new ATOM 0 HA ASN A 44 -0.169 -0.015 -11.301 1.00 41.23 H new ATOM 0 HB2 ASN A 44 -0.778 -2.376 -13.045 1.00 71.13 H new ATOM 0 HB3 ASN A 44 -0.462 -0.838 -13.823 1.00 71.13 H new ATOM 0 HD21 ASN A 44 2.568 -2.941 -12.000 1.00 13.23 H new ATOM 0 HD22 ASN A 44 0.876 -3.417 -11.828 1.00 13.23 H new ATOM 737 N GLY A 45 -3.277 -0.466 -12.179 1.00 42.22 N ATOM 738 CA GLY A 45 -4.484 0.230 -12.564 1.00 1.50 C ATOM 739 C GLY A 45 -4.772 1.397 -11.652 1.00 44.02 C ATOM 740 O GLY A 45 -5.176 2.462 -12.111 1.00 42.01 O ATOM 0 H GLY A 45 -3.415 -1.441 -11.912 1.00 42.22 H new ATOM 0 HA2 GLY A 45 -4.387 0.585 -13.590 1.00 1.50 H new ATOM 0 HA3 GLY A 45 -5.325 -0.463 -12.545 1.00 1.50 H new ATOM 744 N TYR A 46 -4.564 1.200 -10.354 1.00 62.32 N ATOM 745 CA TYR A 46 -4.762 2.268 -9.386 1.00 40.00 C ATOM 746 C TYR A 46 -3.702 3.334 -9.578 1.00 71.44 C ATOM 747 O TYR A 46 -3.995 4.525 -9.532 1.00 1.32 O ATOM 748 CB TYR A 46 -4.728 1.734 -7.950 1.00 43.11 C ATOM 749 CG TYR A 46 -5.877 0.809 -7.612 1.00 61.10 C ATOM 750 CD1 TYR A 46 -5.647 -0.495 -7.196 1.00 52.55 C ATOM 751 CD2 TYR A 46 -7.194 1.242 -7.717 1.00 25.34 C ATOM 752 CE1 TYR A 46 -6.696 -1.341 -6.892 1.00 12.35 C ATOM 753 CE2 TYR A 46 -8.247 0.401 -7.413 1.00 45.13 C ATOM 754 CZ TYR A 46 -7.993 -0.887 -7.002 1.00 31.30 C ATOM 755 OH TYR A 46 -9.039 -1.731 -6.700 1.00 42.12 O ATOM 0 H TYR A 46 -4.260 0.314 -9.951 1.00 62.32 H new ATOM 0 HA TYR A 46 -5.747 2.703 -9.553 1.00 40.00 H new ATOM 0 HB2 TYR A 46 -3.789 1.203 -7.792 1.00 43.11 H new ATOM 0 HB3 TYR A 46 -4.738 2.577 -7.259 1.00 43.11 H new ATOM 0 HD1 TYR A 46 -4.632 -0.854 -7.109 1.00 52.55 H new ATOM 0 HD2 TYR A 46 -7.397 2.252 -8.041 1.00 25.34 H new ATOM 0 HE1 TYR A 46 -6.501 -2.353 -6.570 1.00 12.35 H new ATOM 0 HE2 TYR A 46 -9.265 0.753 -7.498 1.00 45.13 H new ATOM 0 HH TYR A 46 -9.562 -1.353 -5.962 1.00 42.12 H new ATOM 765 N ILE A 47 -2.472 2.887 -9.816 1.00 73.33 N ATOM 766 CA ILE A 47 -1.352 3.784 -10.074 1.00 40.54 C ATOM 767 C ILE A 47 -1.674 4.715 -11.247 1.00 11.34 C ATOM 768 O ILE A 47 -1.409 5.921 -11.192 1.00 5.33 O ATOM 769 CB ILE A 47 -0.055 2.985 -10.379 1.00 65.10 C ATOM 770 CG1 ILE A 47 0.387 2.192 -9.142 1.00 3.45 C ATOM 771 CG2 ILE A 47 1.059 3.908 -10.854 1.00 72.13 C ATOM 772 CD1 ILE A 47 1.624 1.342 -9.365 1.00 45.12 C ATOM 0 H ILE A 47 -2.225 1.897 -9.835 1.00 73.33 H new ATOM 0 HA ILE A 47 -1.188 4.380 -9.177 1.00 40.54 H new ATOM 0 HB ILE A 47 -0.270 2.282 -11.183 1.00 65.10 H new ATOM 0 HG12 ILE A 47 0.579 2.888 -8.326 1.00 3.45 H new ATOM 0 HG13 ILE A 47 -0.432 1.547 -8.824 1.00 3.45 H new ATOM 0 HG21 ILE A 47 1.954 3.322 -11.060 1.00 72.13 H new ATOM 0 HG22 ILE A 47 0.744 4.421 -11.763 1.00 72.13 H new ATOM 0 HG23 ILE A 47 1.277 4.643 -10.080 1.00 72.13 H new ATOM 0 HD11 ILE A 47 1.873 0.813 -8.445 1.00 45.12 H new ATOM 0 HD12 ILE A 47 1.431 0.620 -10.158 1.00 45.12 H new ATOM 0 HD13 ILE A 47 2.458 1.982 -9.652 1.00 45.12 H new ATOM 784 N GLN A 48 -2.259 4.147 -12.299 1.00 15.14 N ATOM 785 CA GLN A 48 -2.659 4.922 -13.468 1.00 12.52 C ATOM 786 C GLN A 48 -3.694 5.967 -13.079 1.00 23.42 C ATOM 787 O GLN A 48 -3.565 7.134 -13.418 1.00 5.21 O ATOM 788 CB GLN A 48 -3.235 4.008 -14.554 1.00 32.10 C ATOM 789 CG GLN A 48 -2.271 2.945 -15.060 1.00 34.23 C ATOM 790 CD GLN A 48 -1.016 3.531 -15.665 1.00 73.05 C ATOM 791 OE1 GLN A 48 -0.966 3.815 -16.859 1.00 12.41 O ATOM 792 NE2 GLN A 48 0.008 3.702 -14.854 1.00 14.23 N ATOM 0 H GLN A 48 -2.466 3.150 -12.365 1.00 15.14 H new ATOM 0 HA GLN A 48 -1.774 5.421 -13.862 1.00 12.52 H new ATOM 0 HB2 GLN A 48 -4.126 3.516 -14.163 1.00 32.10 H new ATOM 0 HB3 GLN A 48 -3.554 4.622 -15.396 1.00 32.10 H new ATOM 0 HG2 GLN A 48 -1.998 2.287 -14.235 1.00 34.23 H new ATOM 0 HG3 GLN A 48 -2.775 2.330 -15.805 1.00 34.23 H new ATOM 0 HE21 GLN A 48 -0.075 3.453 -13.868 1.00 14.23 H new ATOM 0 HE22 GLN A 48 0.884 4.083 -15.212 1.00 14.23 H new ATOM 801 N LYS A 49 -4.706 5.529 -12.338 1.00 13.55 N ATOM 802 CA LYS A 49 -5.792 6.404 -11.890 1.00 43.34 C ATOM 803 C LYS A 49 -5.264 7.571 -11.053 1.00 4.41 C ATOM 804 O LYS A 49 -5.760 8.697 -11.158 1.00 33.35 O ATOM 805 CB LYS A 49 -6.811 5.603 -11.078 1.00 13.25 C ATOM 806 CG LYS A 49 -7.495 4.505 -11.870 1.00 11.31 C ATOM 807 CD LYS A 49 -8.324 3.600 -10.975 1.00 14.23 C ATOM 808 CE LYS A 49 -9.057 2.541 -11.785 1.00 22.12 C ATOM 809 NZ LYS A 49 -8.126 1.678 -12.558 1.00 42.32 N ATOM 0 H LYS A 49 -4.800 4.561 -12.030 1.00 13.55 H new ATOM 0 HA LYS A 49 -6.275 6.815 -12.777 1.00 43.34 H new ATOM 0 HB2 LYS A 49 -6.309 5.160 -10.218 1.00 13.25 H new ATOM 0 HB3 LYS A 49 -7.568 6.284 -10.689 1.00 13.25 H new ATOM 0 HG2 LYS A 49 -8.136 4.950 -12.631 1.00 11.31 H new ATOM 0 HG3 LYS A 49 -6.745 3.912 -12.393 1.00 11.31 H new ATOM 0 HD2 LYS A 49 -7.677 3.117 -10.243 1.00 14.23 H new ATOM 0 HD3 LYS A 49 -9.045 4.198 -10.418 1.00 14.23 H new ATOM 0 HE2 LYS A 49 -9.652 1.921 -11.114 1.00 22.12 H new ATOM 0 HE3 LYS A 49 -9.752 3.027 -12.470 1.00 22.12 H new ATOM 0 HZ1 LYS A 49 -8.293 1.812 -13.576 1.00 42.32 H new ATOM 0 HZ2 LYS A 49 -7.144 1.936 -12.331 1.00 42.32 H new ATOM 0 HZ3 LYS A 49 -8.288 0.682 -12.309 1.00 42.32 H new ATOM 823 N ILE A 50 -4.262 7.296 -10.232 1.00 14.24 N ATOM 824 CA ILE A 50 -3.672 8.310 -9.367 1.00 42.12 C ATOM 825 C ILE A 50 -2.894 9.347 -10.176 1.00 33.22 C ATOM 826 O ILE A 50 -3.111 10.552 -10.029 1.00 53.13 O ATOM 827 CB ILE A 50 -2.739 7.673 -8.307 1.00 24.45 C ATOM 828 CG1 ILE A 50 -3.532 6.717 -7.412 1.00 53.42 C ATOM 829 CG2 ILE A 50 -2.058 8.751 -7.468 1.00 71.14 C ATOM 830 CD1 ILE A 50 -2.674 5.930 -6.446 1.00 71.34 C ATOM 0 H ILE A 50 -3.837 6.373 -10.145 1.00 14.24 H new ATOM 0 HA ILE A 50 -4.495 8.809 -8.856 1.00 42.12 H new ATOM 0 HB ILE A 50 -1.964 7.107 -8.824 1.00 24.45 H new ATOM 0 HG12 ILE A 50 -4.267 7.290 -6.847 1.00 53.42 H new ATOM 0 HG13 ILE A 50 -4.086 6.021 -8.041 1.00 53.42 H new ATOM 0 HG21 ILE A 50 -1.408 8.281 -6.730 1.00 71.14 H new ATOM 0 HG22 ILE A 50 -1.465 9.396 -8.116 1.00 71.14 H new ATOM 0 HG23 ILE A 50 -2.815 9.347 -6.958 1.00 71.14 H new ATOM 0 HD11 ILE A 50 -3.307 5.276 -5.847 1.00 71.34 H new ATOM 0 HD12 ILE A 50 -1.956 5.329 -7.004 1.00 71.34 H new ATOM 0 HD13 ILE A 50 -2.140 6.618 -5.790 1.00 71.34 H new ATOM 842 N LYS A 51 -2.003 8.877 -11.044 1.00 12.14 N ATOM 843 CA LYS A 51 -1.182 9.780 -11.850 1.00 10.13 C ATOM 844 C LYS A 51 -2.015 10.498 -12.909 1.00 24.20 C ATOM 845 O LYS A 51 -1.676 11.598 -13.334 1.00 60.44 O ATOM 846 CB LYS A 51 -0.012 9.031 -12.501 1.00 13.00 C ATOM 847 CG LYS A 51 0.946 8.401 -11.496 1.00 53.52 C ATOM 848 CD LYS A 51 2.242 7.933 -12.154 1.00 70.23 C ATOM 849 CE LYS A 51 1.999 6.857 -13.201 1.00 21.54 C ATOM 850 NZ LYS A 51 3.272 6.362 -13.784 1.00 22.40 N ATOM 0 H LYS A 51 -1.830 7.885 -11.208 1.00 12.14 H new ATOM 0 HA LYS A 51 -0.773 10.534 -11.177 1.00 10.13 H new ATOM 0 HB2 LYS A 51 -0.408 8.251 -13.151 1.00 13.00 H new ATOM 0 HB3 LYS A 51 0.543 9.722 -13.135 1.00 13.00 H new ATOM 0 HG2 LYS A 51 1.177 9.124 -10.714 1.00 53.52 H new ATOM 0 HG3 LYS A 51 0.459 7.554 -11.013 1.00 53.52 H new ATOM 0 HD2 LYS A 51 2.739 8.784 -12.619 1.00 70.23 H new ATOM 0 HD3 LYS A 51 2.917 7.548 -11.390 1.00 70.23 H new ATOM 0 HE2 LYS A 51 1.458 6.026 -12.750 1.00 21.54 H new ATOM 0 HE3 LYS A 51 1.366 7.257 -13.994 1.00 21.54 H new ATOM 0 HZ1 LYS A 51 3.067 5.630 -14.494 1.00 22.40 H new ATOM 0 HZ2 LYS A 51 3.777 7.151 -14.236 1.00 22.40 H new ATOM 0 HZ3 LYS A 51 3.865 5.958 -13.031 1.00 22.40 H new ATOM 864 N SER A 52 -3.106 9.875 -13.325 1.00 10.51 N ATOM 865 CA SER A 52 -3.994 10.470 -14.309 1.00 73.34 C ATOM 866 C SER A 52 -4.834 11.579 -13.672 1.00 73.00 C ATOM 867 O SER A 52 -5.438 12.392 -14.370 1.00 54.14 O ATOM 868 CB SER A 52 -4.902 9.392 -14.926 1.00 21.14 C ATOM 869 OG SER A 52 -5.734 9.926 -15.941 1.00 12.23 O ATOM 0 H SER A 52 -3.398 8.955 -12.995 1.00 10.51 H new ATOM 0 HA SER A 52 -3.390 10.911 -15.102 1.00 73.34 H new ATOM 0 HB2 SER A 52 -4.288 8.593 -15.342 1.00 21.14 H new ATOM 0 HB3 SER A 52 -5.520 8.946 -14.146 1.00 21.14 H new ATOM 0 HG SER A 52 -6.296 9.214 -16.312 1.00 12.23 H new ATOM 875 N GLY A 53 -4.856 11.614 -12.347 1.00 74.33 N ATOM 876 CA GLY A 53 -5.636 12.612 -11.649 1.00 73.14 C ATOM 877 C GLY A 53 -7.099 12.240 -11.588 1.00 35.21 C ATOM 878 O GLY A 53 -7.960 13.087 -11.339 1.00 44.43 O ATOM 0 H GLY A 53 -4.347 10.968 -11.744 1.00 74.33 H new ATOM 0 HA2 GLY A 53 -5.249 12.733 -10.637 1.00 73.14 H new ATOM 0 HA3 GLY A 53 -5.526 13.574 -12.149 1.00 73.14 H new ATOM 882 N GLU A 54 -7.383 10.969 -11.812 1.00 65.32 N ATOM 883 CA GLU A 54 -8.744 10.480 -11.786 1.00 50.13 C ATOM 884 C GLU A 54 -9.148 10.131 -10.366 1.00 11.41 C ATOM 885 O GLU A 54 -10.115 10.677 -9.831 1.00 5.32 O ATOM 886 CB GLU A 54 -8.896 9.255 -12.698 1.00 31.21 C ATOM 887 CG GLU A 54 -10.300 8.660 -12.702 1.00 64.22 C ATOM 888 CD GLU A 54 -10.429 7.467 -13.620 1.00 51.14 C ATOM 889 OE1 GLU A 54 -10.056 6.345 -13.211 1.00 32.20 O ATOM 890 OE2 GLU A 54 -10.906 7.639 -14.756 1.00 21.12 O ATOM 0 H GLU A 54 -6.683 10.256 -12.015 1.00 65.32 H new ATOM 0 HA GLU A 54 -9.401 11.268 -12.156 1.00 50.13 H new ATOM 0 HB2 GLU A 54 -8.628 9.537 -13.716 1.00 31.21 H new ATOM 0 HB3 GLU A 54 -8.188 8.489 -12.382 1.00 31.21 H new ATOM 0 HG2 GLU A 54 -10.566 8.362 -11.688 1.00 64.22 H new ATOM 0 HG3 GLU A 54 -11.013 9.426 -13.007 1.00 64.22 H new ATOM 897 N GLU A 55 -8.393 9.245 -9.748 1.00 4.14 N ATOM 898 CA GLU A 55 -8.697 8.803 -8.403 1.00 61.11 C ATOM 899 C GLU A 55 -7.631 9.252 -7.426 1.00 74.13 C ATOM 900 O GLU A 55 -6.477 9.477 -7.802 1.00 4.42 O ATOM 901 CB GLU A 55 -8.845 7.285 -8.357 1.00 52.22 C ATOM 902 CG GLU A 55 -10.010 6.757 -9.174 1.00 31.42 C ATOM 903 CD GLU A 55 -11.347 7.289 -8.696 1.00 52.20 C ATOM 904 OE1 GLU A 55 -11.829 6.833 -7.639 1.00 3.34 O ATOM 905 OE2 GLU A 55 -11.931 8.159 -9.378 1.00 63.05 O ATOM 0 H GLU A 55 -7.563 8.816 -10.157 1.00 4.14 H new ATOM 0 HA GLU A 55 -9.643 9.258 -8.110 1.00 61.11 H new ATOM 0 HB2 GLU A 55 -7.924 6.829 -8.719 1.00 52.22 H new ATOM 0 HB3 GLU A 55 -8.970 6.973 -7.320 1.00 52.22 H new ATOM 0 HG2 GLU A 55 -9.868 7.029 -10.220 1.00 31.42 H new ATOM 0 HG3 GLU A 55 -10.018 5.668 -9.126 1.00 31.42 H new ATOM 912 N ASP A 56 -8.025 9.386 -6.182 1.00 5.31 N ATOM 913 CA ASP A 56 -7.126 9.796 -5.122 1.00 20.34 C ATOM 914 C ASP A 56 -6.750 8.594 -4.265 1.00 54.50 C ATOM 915 O ASP A 56 -7.573 7.704 -4.047 1.00 43.14 O ATOM 916 CB ASP A 56 -7.786 10.879 -4.271 1.00 55.32 C ATOM 917 CG ASP A 56 -6.977 11.231 -3.051 1.00 14.51 C ATOM 918 OD1 ASP A 56 -5.901 11.847 -3.201 1.00 14.11 O ATOM 919 OD2 ASP A 56 -7.410 10.897 -1.939 1.00 5.01 O ATOM 0 H ASP A 56 -8.981 9.214 -5.872 1.00 5.31 H new ATOM 0 HA ASP A 56 -6.216 10.206 -5.560 1.00 20.34 H new ATOM 0 HB2 ASP A 56 -7.931 11.774 -4.877 1.00 55.32 H new ATOM 0 HB3 ASP A 56 -8.775 10.540 -3.961 1.00 55.32 H new ATOM 924 N PHE A 57 -5.512 8.570 -3.780 1.00 54.15 N ATOM 925 CA PHE A 57 -5.021 7.435 -3.003 1.00 72.31 C ATOM 926 C PHE A 57 -5.810 7.250 -1.709 1.00 43.10 C ATOM 927 O PHE A 57 -6.166 6.130 -1.356 1.00 1.33 O ATOM 928 CB PHE A 57 -3.529 7.582 -2.696 1.00 22.54 C ATOM 929 CG PHE A 57 -2.923 6.342 -2.100 1.00 14.03 C ATOM 930 CD1 PHE A 57 -2.418 5.347 -2.916 1.00 24.11 C ATOM 931 CD2 PHE A 57 -2.866 6.167 -0.730 1.00 24.24 C ATOM 932 CE1 PHE A 57 -1.869 4.204 -2.379 1.00 31.32 C ATOM 933 CE2 PHE A 57 -2.316 5.025 -0.187 1.00 73.22 C ATOM 934 CZ PHE A 57 -1.818 4.043 -1.013 1.00 64.43 C ATOM 0 H PHE A 57 -4.833 9.320 -3.910 1.00 54.15 H new ATOM 0 HA PHE A 57 -5.166 6.544 -3.614 1.00 72.31 H new ATOM 0 HB2 PHE A 57 -2.998 7.833 -3.615 1.00 22.54 H new ATOM 0 HB3 PHE A 57 -3.386 8.415 -2.008 1.00 22.54 H new ATOM 0 HD1 PHE A 57 -2.455 5.468 -3.989 1.00 24.11 H new ATOM 0 HD2 PHE A 57 -3.257 6.934 -0.077 1.00 24.24 H new ATOM 0 HE1 PHE A 57 -1.479 3.435 -3.029 1.00 31.32 H new ATOM 0 HE2 PHE A 57 -2.276 4.901 0.885 1.00 73.22 H new ATOM 0 HZ PHE A 57 -1.388 3.147 -0.590 1.00 64.43 H new ATOM 944 N GLU A 58 -6.090 8.351 -1.013 1.00 62.45 N ATOM 945 CA GLU A 58 -6.843 8.292 0.241 1.00 33.42 C ATOM 946 C GLU A 58 -8.216 7.695 -0.005 1.00 1.22 C ATOM 947 O GLU A 58 -8.698 6.869 0.771 1.00 55.24 O ATOM 948 CB GLU A 58 -7.002 9.684 0.842 1.00 55.23 C ATOM 949 CG GLU A 58 -5.702 10.359 1.229 1.00 35.22 C ATOM 950 CD GLU A 58 -5.931 11.761 1.741 1.00 0.41 C ATOM 951 OE1 GLU A 58 -6.384 11.914 2.891 1.00 44.23 O ATOM 952 OE2 GLU A 58 -5.674 12.722 0.991 1.00 72.23 O ATOM 0 H GLU A 58 -5.809 9.291 -1.293 1.00 62.45 H new ATOM 0 HA GLU A 58 -6.289 7.665 0.940 1.00 33.42 H new ATOM 0 HB2 GLU A 58 -7.525 10.317 0.125 1.00 55.23 H new ATOM 0 HB3 GLU A 58 -7.636 9.613 1.726 1.00 55.23 H new ATOM 0 HG2 GLU A 58 -5.200 9.769 1.996 1.00 35.22 H new ATOM 0 HG3 GLU A 58 -5.038 10.391 0.366 1.00 35.22 H new ATOM 959 N SER A 59 -8.834 8.114 -1.096 1.00 11.20 N ATOM 960 CA SER A 59 -10.141 7.622 -1.480 1.00 11.21 C ATOM 961 C SER A 59 -10.088 6.119 -1.761 1.00 24.23 C ATOM 962 O SER A 59 -10.932 5.355 -1.281 1.00 2.22 O ATOM 963 CB SER A 59 -10.645 8.381 -2.708 1.00 30.51 C ATOM 964 OG SER A 59 -11.940 7.952 -3.089 1.00 71.24 O ATOM 0 H SER A 59 -8.443 8.804 -1.738 1.00 11.20 H new ATOM 0 HA SER A 59 -10.835 7.789 -0.656 1.00 11.21 H new ATOM 0 HB2 SER A 59 -10.663 9.450 -2.494 1.00 30.51 H new ATOM 0 HB3 SER A 59 -9.953 8.233 -3.537 1.00 30.51 H new ATOM 0 HG SER A 59 -12.234 8.457 -3.876 1.00 71.24 H new ATOM 970 N LEU A 60 -9.083 5.697 -2.521 1.00 74.02 N ATOM 971 CA LEU A 60 -8.912 4.289 -2.855 1.00 75.12 C ATOM 972 C LEU A 60 -8.621 3.468 -1.602 1.00 14.10 C ATOM 973 O LEU A 60 -9.143 2.364 -1.436 1.00 23.23 O ATOM 974 CB LEU A 60 -7.781 4.112 -3.876 1.00 32.22 C ATOM 975 CG LEU A 60 -7.992 4.799 -5.229 1.00 51.25 C ATOM 976 CD1 LEU A 60 -6.762 4.636 -6.107 1.00 23.22 C ATOM 977 CD2 LEU A 60 -9.224 4.243 -5.929 1.00 21.11 C ATOM 0 H LEU A 60 -8.373 6.312 -2.918 1.00 74.02 H new ATOM 0 HA LEU A 60 -9.842 3.930 -3.296 1.00 75.12 H new ATOM 0 HB2 LEU A 60 -6.858 4.491 -3.437 1.00 32.22 H new ATOM 0 HB3 LEU A 60 -7.637 3.046 -4.050 1.00 32.22 H new ATOM 0 HG LEU A 60 -8.151 5.863 -5.051 1.00 51.25 H new ATOM 0 HD11 LEU A 60 -6.930 5.130 -7.064 1.00 23.22 H new ATOM 0 HD12 LEU A 60 -5.900 5.085 -5.613 1.00 23.22 H new ATOM 0 HD13 LEU A 60 -6.572 3.576 -6.275 1.00 23.22 H new ATOM 0 HD21 LEU A 60 -9.355 4.745 -6.888 1.00 21.11 H new ATOM 0 HD22 LEU A 60 -9.097 3.173 -6.094 1.00 21.11 H new ATOM 0 HD23 LEU A 60 -10.103 4.413 -5.307 1.00 21.11 H new ATOM 989 N ALA A 61 -7.806 4.023 -0.715 1.00 4.14 N ATOM 990 CA ALA A 61 -7.439 3.356 0.528 1.00 31.01 C ATOM 991 C ALA A 61 -8.624 3.257 1.478 1.00 64.15 C ATOM 992 O ALA A 61 -8.654 2.406 2.352 1.00 23.44 O ATOM 993 CB ALA A 61 -6.279 4.076 1.195 1.00 60.03 C ATOM 0 H ALA A 61 -7.382 4.943 -0.835 1.00 4.14 H new ATOM 0 HA ALA A 61 -7.126 2.341 0.282 1.00 31.01 H new ATOM 0 HB1 ALA A 61 -6.018 3.565 2.122 1.00 60.03 H new ATOM 0 HB2 ALA A 61 -5.418 4.077 0.526 1.00 60.03 H new ATOM 0 HB3 ALA A 61 -6.567 5.104 1.416 1.00 60.03 H new ATOM 999 N SER A 62 -9.601 4.120 1.294 1.00 73.41 N ATOM 1000 CA SER A 62 -10.781 4.114 2.136 1.00 64.40 C ATOM 1001 C SER A 62 -11.873 3.217 1.548 1.00 44.10 C ATOM 1002 O SER A 62 -12.978 3.127 2.091 1.00 53.01 O ATOM 1003 CB SER A 62 -11.309 5.539 2.312 1.00 23.34 C ATOM 1004 OG SER A 62 -10.309 6.388 2.868 1.00 21.14 O ATOM 0 H SER A 62 -9.602 4.836 0.568 1.00 73.41 H new ATOM 0 HA SER A 62 -10.501 3.713 3.110 1.00 64.40 H new ATOM 0 HB2 SER A 62 -11.631 5.933 1.348 1.00 23.34 H new ATOM 0 HB3 SER A 62 -12.185 5.529 2.961 1.00 23.34 H new ATOM 0 HG SER A 62 -9.549 6.445 2.252 1.00 21.14 H new ATOM 1010 N GLN A 63 -11.557 2.544 0.446 1.00 22.12 N ATOM 1011 CA GLN A 63 -12.533 1.697 -0.229 1.00 61.24 C ATOM 1012 C GLN A 63 -11.982 0.304 -0.537 1.00 75.14 C ATOM 1013 O GLN A 63 -12.579 -0.700 -0.168 1.00 74.11 O ATOM 1014 CB GLN A 63 -12.997 2.354 -1.534 1.00 51.12 C ATOM 1015 CG GLN A 63 -13.778 3.642 -1.343 1.00 41.04 C ATOM 1016 CD GLN A 63 -14.089 4.325 -2.658 1.00 53.13 C ATOM 1017 OE1 GLN A 63 -15.115 4.068 -3.283 1.00 1.12 O ATOM 1018 NE2 GLN A 63 -13.209 5.206 -3.081 1.00 0.01 N ATOM 0 H GLN A 63 -10.638 2.568 0.004 1.00 22.12 H new ATOM 0 HA GLN A 63 -13.375 1.583 0.454 1.00 61.24 H new ATOM 0 HB2 GLN A 63 -12.124 2.561 -2.153 1.00 51.12 H new ATOM 0 HB3 GLN A 63 -13.617 1.645 -2.083 1.00 51.12 H new ATOM 0 HG2 GLN A 63 -14.709 3.426 -0.819 1.00 41.04 H new ATOM 0 HG3 GLN A 63 -13.206 4.321 -0.710 1.00 41.04 H new ATOM 0 HE21 GLN A 63 -12.369 5.391 -2.533 1.00 0.01 H new ATOM 0 HE22 GLN A 63 -13.367 5.704 -3.957 1.00 0.01 H new ATOM 1027 N PHE A 64 -10.835 0.252 -1.197 1.00 2.02 N ATOM 1028 CA PHE A 64 -10.286 -1.017 -1.671 1.00 10.45 C ATOM 1029 C PHE A 64 -9.112 -1.507 -0.828 1.00 21.01 C ATOM 1030 O PHE A 64 -8.298 -2.301 -1.298 1.00 73.53 O ATOM 1031 CB PHE A 64 -9.857 -0.883 -3.135 1.00 24.31 C ATOM 1032 CG PHE A 64 -10.956 -0.399 -4.038 1.00 32.13 C ATOM 1033 CD1 PHE A 64 -11.973 -1.253 -4.429 1.00 1.20 C ATOM 1034 CD2 PHE A 64 -10.972 0.910 -4.492 1.00 33.35 C ATOM 1035 CE1 PHE A 64 -12.987 -0.809 -5.254 1.00 20.05 C ATOM 1036 CE2 PHE A 64 -11.983 1.359 -5.318 1.00 62.25 C ATOM 1037 CZ PHE A 64 -12.993 0.498 -5.700 1.00 34.11 C ATOM 0 H PHE A 64 -10.265 1.069 -1.418 1.00 2.02 H new ATOM 0 HA PHE A 64 -11.077 -1.762 -1.578 1.00 10.45 H new ATOM 0 HB2 PHE A 64 -9.016 -0.193 -3.197 1.00 24.31 H new ATOM 0 HB3 PHE A 64 -9.503 -1.850 -3.492 1.00 24.31 H new ATOM 0 HD1 PHE A 64 -11.973 -2.277 -4.085 1.00 1.20 H new ATOM 0 HD2 PHE A 64 -10.184 1.587 -4.196 1.00 33.35 H new ATOM 0 HE1 PHE A 64 -13.776 -1.484 -5.551 1.00 20.05 H new ATOM 0 HE2 PHE A 64 -11.984 2.382 -5.665 1.00 62.25 H new ATOM 0 HZ PHE A 64 -13.786 0.846 -6.346 1.00 34.11 H new ATOM 1047 N SER A 65 -9.031 -1.064 0.409 1.00 25.30 N ATOM 1048 CA SER A 65 -7.957 -1.508 1.277 1.00 12.54 C ATOM 1049 C SER A 65 -8.415 -2.674 2.139 1.00 44.21 C ATOM 1050 O SER A 65 -9.512 -2.656 2.696 1.00 44.32 O ATOM 1051 CB SER A 65 -7.454 -0.367 2.158 1.00 71.45 C ATOM 1052 OG SER A 65 -6.271 -0.740 2.851 1.00 3.51 O ATOM 0 H SER A 65 -9.685 -0.406 0.833 1.00 25.30 H new ATOM 0 HA SER A 65 -7.133 -1.840 0.646 1.00 12.54 H new ATOM 0 HB2 SER A 65 -7.258 0.512 1.544 1.00 71.45 H new ATOM 0 HB3 SER A 65 -8.227 -0.089 2.875 1.00 71.45 H new ATOM 0 HG SER A 65 -6.269 -0.327 3.740 1.00 3.51 H new ATOM 1058 N ASP A 66 -7.585 -3.695 2.222 1.00 32.35 N ATOM 1059 CA ASP A 66 -7.886 -4.858 3.042 1.00 54.33 C ATOM 1060 C ASP A 66 -7.649 -4.552 4.517 1.00 32.42 C ATOM 1061 O ASP A 66 -8.387 -5.019 5.388 1.00 44.15 O ATOM 1062 CB ASP A 66 -7.037 -6.052 2.607 1.00 32.05 C ATOM 1063 CG ASP A 66 -7.194 -7.236 3.532 1.00 72.14 C ATOM 1064 OD1 ASP A 66 -6.232 -7.558 4.256 1.00 23.45 O ATOM 1065 OD2 ASP A 66 -8.278 -7.838 3.549 1.00 62.44 O ATOM 0 H ASP A 66 -6.693 -3.745 1.730 1.00 32.35 H new ATOM 0 HA ASP A 66 -8.938 -5.109 2.906 1.00 54.33 H new ATOM 0 HB2 ASP A 66 -7.318 -6.345 1.595 1.00 32.05 H new ATOM 0 HB3 ASP A 66 -5.988 -5.756 2.574 1.00 32.05 H new ATOM 1070 N CYS A 67 -6.630 -3.753 4.785 1.00 3.00 N ATOM 1071 CA CYS A 67 -6.278 -3.382 6.146 1.00 63.34 C ATOM 1072 C CYS A 67 -7.330 -2.459 6.757 1.00 11.03 C ATOM 1073 O CYS A 67 -8.230 -1.969 6.065 1.00 21.52 O ATOM 1074 CB CYS A 67 -4.922 -2.678 6.161 1.00 72.31 C ATOM 1075 SG CYS A 67 -3.592 -3.614 5.394 1.00 51.30 S ATOM 0 H CYS A 67 -6.027 -3.345 4.071 1.00 3.00 H new ATOM 0 HA CYS A 67 -6.229 -4.295 6.739 1.00 63.34 H new ATOM 0 HB2 CYS A 67 -5.018 -1.720 5.650 1.00 72.31 H new ATOM 0 HB3 CYS A 67 -4.649 -2.462 7.194 1.00 72.31 H new ATOM 0 HG CYS A 67 -2.488 -2.930 5.457 1.00 51.30 H new ATOM 1081 N SER A 68 -7.194 -2.201 8.049 1.00 2.23 N ATOM 1082 CA SER A 68 -8.100 -1.317 8.759 1.00 55.14 C ATOM 1083 C SER A 68 -7.818 0.143 8.374 1.00 41.11 C ATOM 1084 O SER A 68 -8.470 1.071 8.860 1.00 11.31 O ATOM 1085 CB SER A 68 -7.952 -1.517 10.276 1.00 1.32 C ATOM 1086 OG SER A 68 -8.975 -0.839 10.990 1.00 32.24 O ATOM 0 H SER A 68 -6.456 -2.597 8.631 1.00 2.23 H new ATOM 0 HA SER A 68 -9.126 -1.557 8.479 1.00 55.14 H new ATOM 0 HB2 SER A 68 -7.987 -2.581 10.509 1.00 1.32 H new ATOM 0 HB3 SER A 68 -6.977 -1.152 10.599 1.00 1.32 H new ATOM 0 HG SER A 68 -9.269 -0.057 10.477 1.00 32.24 H new ATOM 1092 N SER A 69 -6.848 0.330 7.479 1.00 73.11 N ATOM 1093 CA SER A 69 -6.488 1.642 6.984 1.00 41.12 C ATOM 1094 C SER A 69 -7.670 2.294 6.273 1.00 61.13 C ATOM 1095 O SER A 69 -7.753 3.516 6.184 1.00 21.01 O ATOM 1096 CB SER A 69 -5.291 1.529 6.042 1.00 54.54 C ATOM 1097 OG SER A 69 -5.499 0.521 5.065 1.00 74.33 O ATOM 0 H SER A 69 -6.295 -0.429 7.082 1.00 73.11 H new ATOM 0 HA SER A 69 -6.214 2.273 7.830 1.00 41.12 H new ATOM 0 HB2 SER A 69 -5.121 2.486 5.550 1.00 54.54 H new ATOM 0 HB3 SER A 69 -4.393 1.302 6.617 1.00 54.54 H new ATOM 0 HG SER A 69 -4.718 0.472 4.475 1.00 74.33 H new ATOM 1103 N ALA A 70 -8.597 1.465 5.794 1.00 51.25 N ATOM 1104 CA ALA A 70 -9.794 1.950 5.123 1.00 42.44 C ATOM 1105 C ALA A 70 -10.661 2.754 6.085 1.00 2.24 C ATOM 1106 O ALA A 70 -11.498 3.557 5.669 1.00 25.22 O ATOM 1107 CB ALA A 70 -10.587 0.786 4.546 1.00 42.40 C ATOM 0 H ALA A 70 -8.537 0.449 5.861 1.00 51.25 H new ATOM 0 HA ALA A 70 -9.488 2.604 4.306 1.00 42.44 H new ATOM 0 HB1 ALA A 70 -11.479 1.165 4.048 1.00 42.40 H new ATOM 0 HB2 ALA A 70 -9.971 0.247 3.826 1.00 42.40 H new ATOM 0 HB3 ALA A 70 -10.880 0.111 5.350 1.00 42.40 H new ATOM 1113 N LYS A 71 -10.444 2.533 7.373 1.00 12.34 N ATOM 1114 CA LYS A 71 -11.181 3.225 8.416 1.00 31.15 C ATOM 1115 C LYS A 71 -10.312 4.320 9.030 1.00 25.23 C ATOM 1116 O LYS A 71 -10.705 4.980 9.995 1.00 70.34 O ATOM 1117 CB LYS A 71 -11.604 2.230 9.502 1.00 43.24 C ATOM 1118 CG LYS A 71 -12.413 1.052 8.980 1.00 13.52 C ATOM 1119 CD LYS A 71 -12.684 0.035 10.078 1.00 10.34 C ATOM 1120 CE LYS A 71 -13.487 -1.149 9.560 1.00 61.53 C ATOM 1121 NZ LYS A 71 -14.839 -0.747 9.100 1.00 61.53 N ATOM 0 H LYS A 71 -9.753 1.870 7.723 1.00 12.34 H new ATOM 0 HA LYS A 71 -12.071 3.679 7.980 1.00 31.15 H new ATOM 0 HB2 LYS A 71 -10.712 1.852 10.002 1.00 43.24 H new ATOM 0 HB3 LYS A 71 -12.192 2.757 10.254 1.00 43.24 H new ATOM 0 HG2 LYS A 71 -13.358 1.410 8.572 1.00 13.52 H new ATOM 0 HG3 LYS A 71 -11.874 0.572 8.163 1.00 13.52 H new ATOM 0 HD2 LYS A 71 -11.738 -0.318 10.489 1.00 10.34 H new ATOM 0 HD3 LYS A 71 -13.226 0.514 10.893 1.00 10.34 H new ATOM 0 HE2 LYS A 71 -12.949 -1.619 8.737 1.00 61.53 H new ATOM 0 HE3 LYS A 71 -13.580 -1.896 10.348 1.00 61.53 H new ATOM 0 HZ1 LYS A 71 -15.410 -1.597 8.916 1.00 61.53 H new ATOM 0 HZ2 LYS A 71 -15.299 -0.173 9.835 1.00 61.53 H new ATOM 0 HZ3 LYS A 71 -14.757 -0.189 8.226 1.00 61.53 H new ATOM 1135 N ALA A 72 -9.131 4.508 8.457 1.00 41.31 N ATOM 1136 CA ALA A 72 -8.179 5.487 8.953 1.00 74.42 C ATOM 1137 C ALA A 72 -7.700 6.399 7.828 1.00 3.21 C ATOM 1138 O ALA A 72 -6.620 6.990 7.914 1.00 31.41 O ATOM 1139 CB ALA A 72 -6.997 4.779 9.601 1.00 30.43 C ATOM 0 H ALA A 72 -8.809 3.989 7.640 1.00 41.31 H new ATOM 0 HA ALA A 72 -8.676 6.106 9.700 1.00 74.42 H new ATOM 0 HB1 ALA A 72 -6.287 5.519 9.970 1.00 30.43 H new ATOM 0 HB2 ALA A 72 -7.350 4.168 10.432 1.00 30.43 H new ATOM 0 HB3 ALA A 72 -6.506 4.142 8.865 1.00 30.43 H new ATOM 1145 N ARG A 73 -8.512 6.494 6.765 1.00 54.42 N ATOM 1146 CA ARG A 73 -8.225 7.357 5.598 1.00 72.04 C ATOM 1147 C ARG A 73 -7.079 6.798 4.730 1.00 42.20 C ATOM 1148 O ARG A 73 -6.839 7.271 3.622 1.00 5.12 O ATOM 1149 CB ARG A 73 -7.908 8.798 6.059 1.00 51.50 C ATOM 1150 CG ARG A 73 -7.788 9.815 4.938 1.00 24.33 C ATOM 1151 CD ARG A 73 -9.099 9.971 4.194 1.00 63.32 C ATOM 1152 NE ARG A 73 -9.013 10.972 3.138 1.00 55.43 N ATOM 1153 CZ ARG A 73 -10.011 11.261 2.299 1.00 42.43 C ATOM 1154 NH1 ARG A 73 -11.169 10.614 2.388 1.00 42.02 N ATOM 1155 NH2 ARG A 73 -9.849 12.192 1.368 1.00 43.24 N ATOM 0 H ARG A 73 -9.387 5.977 6.685 1.00 54.42 H new ATOM 0 HA ARG A 73 -9.120 7.373 4.976 1.00 72.04 H new ATOM 0 HB2 ARG A 73 -8.690 9.125 6.745 1.00 51.50 H new ATOM 0 HB3 ARG A 73 -6.975 8.787 6.622 1.00 51.50 H new ATOM 0 HG2 ARG A 73 -7.483 10.778 5.348 1.00 24.33 H new ATOM 0 HG3 ARG A 73 -7.008 9.504 4.243 1.00 24.33 H new ATOM 0 HD2 ARG A 73 -9.387 9.012 3.762 1.00 63.32 H new ATOM 0 HD3 ARG A 73 -9.883 10.252 4.897 1.00 63.32 H new ATOM 0 HE ARG A 73 -8.137 11.483 3.033 1.00 55.43 H new ATOM 0 HH11 ARG A 73 -11.298 9.894 3.099 1.00 42.02 H new ATOM 0 HH12 ARG A 73 -11.929 10.838 1.745 1.00 42.02 H new ATOM 0 HH21 ARG A 73 -8.961 12.688 1.292 1.00 43.24 H new ATOM 0 HH22 ARG A 73 -10.612 12.411 0.728 1.00 43.24 H new ATOM 1169 N GLY A 74 -6.396 5.785 5.234 1.00 10.33 N ATOM 1170 CA GLY A 74 -5.279 5.211 4.513 1.00 34.02 C ATOM 1171 C GLY A 74 -3.959 5.790 4.967 1.00 13.54 C ATOM 1172 O GLY A 74 -2.889 5.279 4.621 1.00 12.44 O ATOM 0 H GLY A 74 -6.595 5.347 6.133 1.00 10.33 H new ATOM 0 HA2 GLY A 74 -5.270 4.131 4.657 1.00 34.02 H new ATOM 0 HA3 GLY A 74 -5.406 5.389 3.445 1.00 34.02 H new ATOM 1176 N ASP A 75 -4.040 6.845 5.760 1.00 40.44 N ATOM 1177 CA ASP A 75 -2.866 7.552 6.253 1.00 1.42 C ATOM 1178 C ASP A 75 -2.344 6.932 7.543 1.00 52.23 C ATOM 1179 O ASP A 75 -3.122 6.546 8.423 1.00 21.22 O ATOM 1180 CB ASP A 75 -3.201 9.032 6.469 1.00 25.21 C ATOM 1181 CG ASP A 75 -2.109 9.792 7.195 1.00 11.20 C ATOM 1182 OD1 ASP A 75 -0.942 9.715 6.772 1.00 41.31 O ATOM 1183 OD2 ASP A 75 -2.426 10.486 8.188 1.00 53.04 O ATOM 0 H ASP A 75 -4.924 7.238 6.082 1.00 40.44 H new ATOM 0 HA ASP A 75 -2.079 7.468 5.504 1.00 1.42 H new ATOM 0 HB2 ASP A 75 -3.380 9.502 5.502 1.00 25.21 H new ATOM 0 HB3 ASP A 75 -4.128 9.109 7.038 1.00 25.21 H new ATOM 1188 N LEU A 76 -1.029 6.832 7.647 1.00 62.01 N ATOM 1189 CA LEU A 76 -0.382 6.269 8.827 1.00 63.22 C ATOM 1190 C LEU A 76 0.157 7.366 9.725 1.00 73.21 C ATOM 1191 O LEU A 76 0.622 7.097 10.839 1.00 21.33 O ATOM 1192 CB LEU A 76 0.763 5.348 8.410 1.00 42.51 C ATOM 1193 CG LEU A 76 0.358 4.038 7.750 1.00 24.33 C ATOM 1194 CD1 LEU A 76 1.577 3.347 7.159 1.00 34.22 C ATOM 1195 CD2 LEU A 76 -0.332 3.131 8.761 1.00 43.21 C ATOM 0 H LEU A 76 -0.380 7.136 6.921 1.00 62.01 H new ATOM 0 HA LEU A 76 -1.128 5.698 9.380 1.00 63.22 H new ATOM 0 HB2 LEU A 76 1.410 5.893 7.723 1.00 42.51 H new ATOM 0 HB3 LEU A 76 1.358 5.118 9.294 1.00 42.51 H new ATOM 0 HG LEU A 76 -0.342 4.253 6.943 1.00 24.33 H new ATOM 0 HD11 LEU A 76 1.273 2.411 6.690 1.00 34.22 H new ATOM 0 HD12 LEU A 76 2.036 3.995 6.412 1.00 34.22 H new ATOM 0 HD13 LEU A 76 2.297 3.139 7.951 1.00 34.22 H new ATOM 0 HD21 LEU A 76 -0.617 2.197 8.277 1.00 43.21 H new ATOM 0 HD22 LEU A 76 0.350 2.919 9.585 1.00 43.21 H new ATOM 0 HD23 LEU A 76 -1.223 3.627 9.146 1.00 43.21 H new ATOM 1207 N GLY A 77 0.097 8.595 9.243 1.00 40.03 N ATOM 1208 CA GLY A 77 0.620 9.701 9.998 1.00 63.43 C ATOM 1209 C GLY A 77 2.125 9.683 10.012 1.00 41.22 C ATOM 1210 O GLY A 77 2.749 9.297 9.024 1.00 50.50 O ATOM 0 H GLY A 77 -0.306 8.843 8.340 1.00 40.03 H new ATOM 0 HA2 GLY A 77 0.268 10.638 9.567 1.00 63.43 H new ATOM 0 HA3 GLY A 77 0.243 9.659 11.020 1.00 63.43 H new ATOM 1214 N ALA A 78 2.710 10.086 11.115 1.00 12.42 N ATOM 1215 CA ALA A 78 4.147 10.081 11.244 1.00 11.42 C ATOM 1216 C ALA A 78 4.607 8.782 11.880 1.00 5.43 C ATOM 1217 O ALA A 78 4.182 8.435 12.986 1.00 63.23 O ATOM 1218 CB ALA A 78 4.613 11.275 12.066 1.00 32.22 C ATOM 0 H ALA A 78 2.211 10.422 11.938 1.00 12.42 H new ATOM 0 HA ALA A 78 4.589 10.159 10.251 1.00 11.42 H new ATOM 0 HB1 ALA A 78 5.699 11.255 12.153 1.00 32.22 H new ATOM 0 HB2 ALA A 78 4.305 12.198 11.574 1.00 32.22 H new ATOM 0 HB3 ALA A 78 4.168 11.228 13.060 1.00 32.22 H new ATOM 1224 N PHE A 79 5.448 8.053 11.180 1.00 72.32 N ATOM 1225 CA PHE A 79 5.965 6.803 11.694 1.00 22.11 C ATOM 1226 C PHE A 79 7.458 6.693 11.455 1.00 5.53 C ATOM 1227 O PHE A 79 8.004 7.326 10.540 1.00 42.55 O ATOM 1228 CB PHE A 79 5.223 5.594 11.087 1.00 14.12 C ATOM 1229 CG PHE A 79 5.311 5.485 9.586 1.00 74.20 C ATOM 1230 CD1 PHE A 79 6.261 4.668 8.990 1.00 44.03 C ATOM 1231 CD2 PHE A 79 4.437 6.190 8.772 1.00 64.35 C ATOM 1232 CE1 PHE A 79 6.336 4.557 7.616 1.00 32.42 C ATOM 1233 CE2 PHE A 79 4.511 6.084 7.398 1.00 40.21 C ATOM 1234 CZ PHE A 79 5.461 5.267 6.819 1.00 24.22 C ATOM 0 H PHE A 79 5.789 8.304 10.252 1.00 72.32 H new ATOM 0 HA PHE A 79 5.791 6.794 12.770 1.00 22.11 H new ATOM 0 HB2 PHE A 79 5.624 4.681 11.527 1.00 14.12 H new ATOM 0 HB3 PHE A 79 4.172 5.650 11.372 1.00 14.12 H new ATOM 0 HD1 PHE A 79 6.950 4.112 9.608 1.00 44.03 H new ATOM 0 HD2 PHE A 79 3.690 6.829 9.219 1.00 64.35 H new ATOM 0 HE1 PHE A 79 7.079 3.915 7.165 1.00 32.42 H new ATOM 0 HE2 PHE A 79 3.826 6.640 6.776 1.00 40.21 H new ATOM 0 HZ PHE A 79 5.520 5.183 5.744 1.00 24.22 H new ATOM 1244 N SER A 80 8.113 5.914 12.292 1.00 45.13 N ATOM 1245 CA SER A 80 9.532 5.698 12.185 1.00 42.24 C ATOM 1246 C SER A 80 9.811 4.447 11.346 1.00 0.22 C ATOM 1247 O SER A 80 8.880 3.757 10.915 1.00 2.44 O ATOM 1248 CB SER A 80 10.153 5.572 13.581 1.00 64.50 C ATOM 1249 OG SER A 80 11.571 5.631 13.525 1.00 24.54 O ATOM 0 H SER A 80 7.671 5.415 13.064 1.00 45.13 H new ATOM 0 HA SER A 80 9.987 6.553 11.686 1.00 42.24 H new ATOM 0 HB2 SER A 80 9.779 6.371 14.221 1.00 64.50 H new ATOM 0 HB3 SER A 80 9.844 4.630 14.035 1.00 64.50 H new ATOM 0 HG SER A 80 11.846 6.442 13.049 1.00 24.54 H new ATOM 1255 N ARG A 81 11.087 4.154 11.136 1.00 35.12 N ATOM 1256 CA ARG A 81 11.495 3.033 10.297 1.00 4.51 C ATOM 1257 C ARG A 81 11.069 1.696 10.893 1.00 52.15 C ATOM 1258 O ARG A 81 10.405 0.895 10.233 1.00 4.12 O ATOM 1259 CB ARG A 81 13.008 3.055 10.071 1.00 65.52 C ATOM 1260 CG ARG A 81 13.516 4.346 9.447 1.00 75.35 C ATOM 1261 CD ARG A 81 15.010 4.291 9.194 1.00 14.23 C ATOM 1262 NE ARG A 81 15.363 3.319 8.156 1.00 62.41 N ATOM 1263 CZ ARG A 81 16.475 2.581 8.159 1.00 63.42 C ATOM 1264 NH1 ARG A 81 17.340 2.673 9.169 1.00 32.14 N ATOM 1265 NH2 ARG A 81 16.718 1.749 7.156 1.00 10.14 N ATOM 0 H ARG A 81 11.863 4.680 11.538 1.00 35.12 H new ATOM 0 HA ARG A 81 10.991 3.143 9.337 1.00 4.51 H new ATOM 0 HB2 ARG A 81 13.511 2.901 11.026 1.00 65.52 H new ATOM 0 HB3 ARG A 81 13.282 2.219 9.428 1.00 65.52 H new ATOM 0 HG2 ARG A 81 12.993 4.528 8.508 1.00 75.35 H new ATOM 0 HG3 ARG A 81 13.288 5.184 10.106 1.00 75.35 H new ATOM 0 HD2 ARG A 81 15.363 5.279 8.898 1.00 14.23 H new ATOM 0 HD3 ARG A 81 15.524 4.033 10.120 1.00 14.23 H new ATOM 0 HE ARG A 81 14.715 3.198 7.378 1.00 62.41 H new ATOM 0 HH11 ARG A 81 17.153 3.309 9.944 1.00 32.14 H new ATOM 0 HH12 ARG A 81 18.189 2.107 9.167 1.00 32.14 H new ATOM 0 HH21 ARG A 81 16.056 1.674 6.384 1.00 10.14 H new ATOM 0 HH22 ARG A 81 17.567 1.184 7.156 1.00 10.14 H new ATOM 1279 N GLY A 82 11.424 1.469 12.147 1.00 4.40 N ATOM 1280 CA GLY A 82 11.101 0.210 12.793 1.00 13.33 C ATOM 1281 C GLY A 82 9.668 0.148 13.281 1.00 71.14 C ATOM 1282 O GLY A 82 9.414 -0.139 14.450 1.00 60.04 O ATOM 0 H GLY A 82 11.931 2.133 12.732 1.00 4.40 H new ATOM 0 HA2 GLY A 82 11.277 -0.607 12.093 1.00 13.33 H new ATOM 0 HA3 GLY A 82 11.774 0.057 13.637 1.00 13.33 H new ATOM 1286 N GLN A 83 8.735 0.437 12.394 1.00 32.34 N ATOM 1287 CA GLN A 83 7.319 0.390 12.721 1.00 52.20 C ATOM 1288 C GLN A 83 6.566 -0.496 11.739 1.00 50.44 C ATOM 1289 O GLN A 83 5.488 -1.002 12.043 1.00 70.12 O ATOM 1290 CB GLN A 83 6.719 1.802 12.729 1.00 53.31 C ATOM 1291 CG GLN A 83 7.268 2.697 13.832 1.00 25.24 C ATOM 1292 CD GLN A 83 6.943 2.185 15.227 1.00 61.13 C ATOM 1293 OE1 GLN A 83 5.794 1.551 15.375 1.00 44.23 O flip ATOM 1294 NE2 GLN A 83 7.717 2.373 16.167 1.00 44.04 N flip ATOM 0 H GLN A 83 8.933 0.710 11.431 1.00 32.34 H new ATOM 0 HA GLN A 83 7.217 -0.037 13.719 1.00 52.20 H new ATOM 0 HB2 GLN A 83 6.908 2.273 11.764 1.00 53.31 H new ATOM 0 HB3 GLN A 83 5.637 1.726 12.840 1.00 53.31 H new ATOM 0 HG2 GLN A 83 8.350 2.778 13.723 1.00 25.24 H new ATOM 0 HG3 GLN A 83 6.860 3.701 13.715 1.00 25.24 H new ATOM 0 HE21 GLN A 83 8.596 2.867 16.013 1.00 44.04 H new ATOM 0 HE22 GLN A 83 7.479 2.034 17.099 1.00 44.04 H new ATOM 1303 N MET A 84 7.144 -0.694 10.569 1.00 25.55 N ATOM 1304 CA MET A 84 6.522 -1.510 9.538 1.00 10.32 C ATOM 1305 C MET A 84 7.470 -2.595 9.078 1.00 3.32 C ATOM 1306 O MET A 84 8.608 -2.661 9.536 1.00 23.10 O ATOM 1307 CB MET A 84 6.085 -0.644 8.355 1.00 64.31 C ATOM 1308 CG MET A 84 4.893 0.245 8.659 1.00 74.41 C ATOM 1309 SD MET A 84 3.424 -0.705 9.108 1.00 64.13 S ATOM 1310 CE MET A 84 2.285 0.609 9.522 1.00 74.31 C ATOM 0 H MET A 84 8.047 -0.300 10.306 1.00 25.55 H new ATOM 0 HA MET A 84 5.636 -1.982 9.963 1.00 10.32 H new ATOM 0 HB2 MET A 84 6.923 -0.020 8.044 1.00 64.31 H new ATOM 0 HB3 MET A 84 5.839 -1.291 7.513 1.00 64.31 H new ATOM 0 HG2 MET A 84 5.147 0.923 9.474 1.00 74.41 H new ATOM 0 HG3 MET A 84 4.672 0.862 7.788 1.00 74.41 H new ATOM 0 HE1 MET A 84 1.596 0.264 10.293 1.00 74.31 H new ATOM 0 HE2 MET A 84 2.842 1.470 9.892 1.00 74.31 H new ATOM 0 HE3 MET A 84 1.722 0.896 8.634 1.00 74.31 H new ATOM 1320 N GLN A 85 6.999 -3.451 8.184 1.00 70.34 N ATOM 1321 CA GLN A 85 7.816 -4.538 7.660 1.00 30.22 C ATOM 1322 C GLN A 85 8.954 -3.992 6.808 1.00 61.13 C ATOM 1323 O GLN A 85 8.830 -2.921 6.228 1.00 14.11 O ATOM 1324 CB GLN A 85 6.958 -5.504 6.849 1.00 23.41 C ATOM 1325 CG GLN A 85 5.937 -6.265 7.682 1.00 72.01 C ATOM 1326 CD GLN A 85 6.584 -7.100 8.771 1.00 61.43 C ATOM 1327 OE1 GLN A 85 6.944 -8.256 8.548 1.00 73.01 O ATOM 1328 NE2 GLN A 85 6.735 -6.527 9.950 1.00 24.03 N ATOM 0 H GLN A 85 6.053 -3.415 7.805 1.00 70.34 H new ATOM 0 HA GLN A 85 8.248 -5.080 8.501 1.00 30.22 H new ATOM 0 HB2 GLN A 85 6.436 -4.947 6.071 1.00 23.41 H new ATOM 0 HB3 GLN A 85 7.609 -6.219 6.346 1.00 23.41 H new ATOM 0 HG2 GLN A 85 5.242 -5.558 8.135 1.00 72.01 H new ATOM 0 HG3 GLN A 85 5.352 -6.914 7.030 1.00 72.01 H new ATOM 0 HE21 GLN A 85 6.423 -5.567 10.094 1.00 24.03 H new ATOM 0 HE22 GLN A 85 7.164 -7.045 10.717 1.00 24.03 H new ATOM 1337 N LYS A 86 10.054 -4.739 6.734 1.00 24.20 N ATOM 1338 CA LYS A 86 11.248 -4.314 5.979 1.00 43.24 C ATOM 1339 C LYS A 86 10.944 -3.860 4.537 1.00 42.14 C ATOM 1340 O LYS A 86 11.397 -2.792 4.134 1.00 4.43 O ATOM 1341 CB LYS A 86 12.336 -5.391 5.995 1.00 15.32 C ATOM 1342 CG LYS A 86 13.068 -5.507 7.324 1.00 12.42 C ATOM 1343 CD LYS A 86 13.852 -4.239 7.633 1.00 41.20 C ATOM 1344 CE LYS A 86 14.471 -4.288 9.017 1.00 13.24 C ATOM 1345 NZ LYS A 86 15.187 -3.031 9.340 1.00 1.43 N ATOM 0 H LYS A 86 10.150 -5.647 7.188 1.00 24.20 H new ATOM 0 HA LYS A 86 11.622 -3.433 6.501 1.00 43.24 H new ATOM 0 HB2 LYS A 86 11.884 -6.354 5.755 1.00 15.32 H new ATOM 0 HB3 LYS A 86 13.060 -5.174 5.210 1.00 15.32 H new ATOM 0 HG2 LYS A 86 12.350 -5.698 8.122 1.00 12.42 H new ATOM 0 HG3 LYS A 86 13.747 -6.359 7.295 1.00 12.42 H new ATOM 0 HD2 LYS A 86 14.636 -4.105 6.888 1.00 41.20 H new ATOM 0 HD3 LYS A 86 13.191 -3.375 7.560 1.00 41.20 H new ATOM 0 HE2 LYS A 86 13.692 -4.464 9.759 1.00 13.24 H new ATOM 0 HE3 LYS A 86 15.164 -5.127 9.077 1.00 13.24 H new ATOM 0 HZ1 LYS A 86 16.210 -3.213 9.374 1.00 1.43 H new ATOM 0 HZ2 LYS A 86 14.986 -2.319 8.609 1.00 1.43 H new ATOM 0 HZ3 LYS A 86 14.868 -2.677 10.264 1.00 1.43 H new ATOM 1359 N PRO A 87 10.186 -4.658 3.727 1.00 73.24 N ATOM 1360 CA PRO A 87 9.822 -4.259 2.358 1.00 63.02 C ATOM 1361 C PRO A 87 9.174 -2.868 2.324 1.00 24.03 C ATOM 1362 O PRO A 87 9.438 -2.067 1.423 1.00 20.11 O ATOM 1363 CB PRO A 87 8.811 -5.337 1.912 1.00 64.12 C ATOM 1364 CG PRO A 87 8.472 -6.104 3.152 1.00 0.33 C ATOM 1365 CD PRO A 87 9.667 -5.995 4.046 1.00 2.35 C ATOM 0 HA PRO A 87 10.694 -4.193 1.707 1.00 63.02 H new ATOM 0 HB2 PRO A 87 7.921 -4.884 1.475 1.00 64.12 H new ATOM 0 HB3 PRO A 87 9.242 -5.989 1.153 1.00 64.12 H new ATOM 0 HG2 PRO A 87 7.585 -5.693 3.635 1.00 0.33 H new ATOM 0 HG3 PRO A 87 8.254 -7.146 2.918 1.00 0.33 H new ATOM 0 HD2 PRO A 87 9.396 -6.084 5.098 1.00 2.35 H new ATOM 0 HD3 PRO A 87 10.400 -6.774 3.839 1.00 2.35 H new ATOM 1373 N PHE A 88 8.347 -2.590 3.322 1.00 55.43 N ATOM 1374 CA PHE A 88 7.675 -1.305 3.439 1.00 11.43 C ATOM 1375 C PHE A 88 8.661 -0.249 3.946 1.00 11.43 C ATOM 1376 O PHE A 88 8.751 0.848 3.396 1.00 62.02 O ATOM 1377 CB PHE A 88 6.482 -1.429 4.403 1.00 11.14 C ATOM 1378 CG PHE A 88 5.548 -0.245 4.407 1.00 24.45 C ATOM 1379 CD1 PHE A 88 4.353 -0.293 3.710 1.00 24.21 C ATOM 1380 CD2 PHE A 88 5.861 0.907 5.112 1.00 33.20 C ATOM 1381 CE1 PHE A 88 3.489 0.785 3.712 1.00 42.32 C ATOM 1382 CE2 PHE A 88 5.001 1.988 5.116 1.00 3.21 C ATOM 1383 CZ PHE A 88 3.814 1.927 4.416 1.00 63.11 C ATOM 0 H PHE A 88 8.124 -3.246 4.070 1.00 55.43 H new ATOM 0 HA PHE A 88 7.306 -0.999 2.460 1.00 11.43 H new ATOM 0 HB2 PHE A 88 5.914 -2.322 4.143 1.00 11.14 H new ATOM 0 HB3 PHE A 88 6.863 -1.577 5.413 1.00 11.14 H new ATOM 0 HD1 PHE A 88 4.093 -1.184 3.158 1.00 24.21 H new ATOM 0 HD2 PHE A 88 6.788 0.960 5.664 1.00 33.20 H new ATOM 0 HE1 PHE A 88 2.560 0.734 3.163 1.00 42.32 H new ATOM 0 HE2 PHE A 88 5.258 2.881 5.667 1.00 3.21 H new ATOM 0 HZ PHE A 88 3.140 2.771 4.419 1.00 63.11 H new ATOM 1393 N GLU A 89 9.400 -0.616 4.991 1.00 52.23 N ATOM 1394 CA GLU A 89 10.393 0.252 5.630 1.00 21.12 C ATOM 1395 C GLU A 89 11.386 0.803 4.609 1.00 13.10 C ATOM 1396 O GLU A 89 11.620 2.011 4.537 1.00 43.11 O ATOM 1397 CB GLU A 89 11.152 -0.543 6.702 1.00 22.11 C ATOM 1398 CG GLU A 89 12.158 0.273 7.497 1.00 75.11 C ATOM 1399 CD GLU A 89 13.069 -0.593 8.349 1.00 13.10 C ATOM 1400 OE1 GLU A 89 14.305 -0.517 8.175 1.00 1.21 O ATOM 1401 OE2 GLU A 89 12.567 -1.358 9.190 1.00 3.50 O ATOM 0 H GLU A 89 9.327 -1.536 5.425 1.00 52.23 H new ATOM 0 HA GLU A 89 9.869 1.092 6.086 1.00 21.12 H new ATOM 0 HB2 GLU A 89 10.430 -0.979 7.392 1.00 22.11 H new ATOM 0 HB3 GLU A 89 11.673 -1.371 6.221 1.00 22.11 H new ATOM 0 HG2 GLU A 89 12.763 0.865 6.811 1.00 75.11 H new ATOM 0 HG3 GLU A 89 11.625 0.975 8.139 1.00 75.11 H new ATOM 1408 N ASP A 90 11.963 -0.081 3.825 1.00 25.51 N ATOM 1409 CA ASP A 90 12.945 0.314 2.830 1.00 25.14 C ATOM 1410 C ASP A 90 12.336 1.227 1.777 1.00 73.42 C ATOM 1411 O ASP A 90 12.873 2.285 1.481 1.00 72.15 O ATOM 1412 CB ASP A 90 13.560 -0.917 2.162 1.00 1.44 C ATOM 1413 CG ASP A 90 14.576 -0.550 1.100 1.00 42.20 C ATOM 1414 OD1 ASP A 90 15.736 -0.255 1.455 1.00 35.25 O ATOM 1415 OD2 ASP A 90 14.222 -0.562 -0.101 1.00 41.34 O ATOM 0 H ASP A 90 11.771 -1.082 3.855 1.00 25.51 H new ATOM 0 HA ASP A 90 13.729 0.868 3.346 1.00 25.14 H new ATOM 0 HB2 ASP A 90 14.038 -1.537 2.920 1.00 1.44 H new ATOM 0 HB3 ASP A 90 12.769 -1.517 1.712 1.00 1.44 H new ATOM 1420 N ALA A 91 11.190 0.829 1.251 1.00 25.35 N ATOM 1421 CA ALA A 91 10.537 1.565 0.174 1.00 60.30 C ATOM 1422 C ALA A 91 10.039 2.946 0.611 1.00 1.33 C ATOM 1423 O ALA A 91 10.331 3.947 -0.039 1.00 2.32 O ATOM 1424 CB ALA A 91 9.394 0.746 -0.396 1.00 20.15 C ATOM 0 H ALA A 91 10.687 -0.005 1.553 1.00 25.35 H new ATOM 0 HA ALA A 91 11.288 1.735 -0.597 1.00 60.30 H new ATOM 0 HB1 ALA A 91 8.912 1.303 -1.199 1.00 20.15 H new ATOM 0 HB2 ALA A 91 9.781 -0.195 -0.788 1.00 20.15 H new ATOM 0 HB3 ALA A 91 8.667 0.540 0.389 1.00 20.15 H new ATOM 1430 N ALA A 92 9.305 2.994 1.715 1.00 64.20 N ATOM 1431 CA ALA A 92 8.708 4.244 2.199 1.00 52.14 C ATOM 1432 C ALA A 92 9.757 5.314 2.489 1.00 24.30 C ATOM 1433 O ALA A 92 9.564 6.495 2.174 1.00 64.55 O ATOM 1434 CB ALA A 92 7.869 3.983 3.442 1.00 62.54 C ATOM 0 H ALA A 92 9.105 2.181 2.298 1.00 64.20 H new ATOM 0 HA ALA A 92 8.069 4.624 1.402 1.00 52.14 H new ATOM 0 HB1 ALA A 92 7.433 4.919 3.790 1.00 62.54 H new ATOM 0 HB2 ALA A 92 7.073 3.278 3.202 1.00 62.54 H new ATOM 0 HB3 ALA A 92 8.500 3.564 4.226 1.00 62.54 H new ATOM 1440 N PHE A 93 10.865 4.906 3.073 1.00 43.53 N ATOM 1441 CA PHE A 93 11.910 5.842 3.442 1.00 31.54 C ATOM 1442 C PHE A 93 12.852 6.139 2.282 1.00 21.43 C ATOM 1443 O PHE A 93 13.558 7.150 2.294 1.00 61.24 O ATOM 1444 CB PHE A 93 12.663 5.349 4.674 1.00 22.03 C ATOM 1445 CG PHE A 93 11.807 5.357 5.912 1.00 55.35 C ATOM 1446 CD1 PHE A 93 10.936 4.314 6.179 1.00 30.43 C ATOM 1447 CD2 PHE A 93 11.860 6.414 6.796 1.00 22.32 C ATOM 1448 CE1 PHE A 93 10.139 4.326 7.301 1.00 51.22 C ATOM 1449 CE2 PHE A 93 11.065 6.432 7.925 1.00 52.42 C ATOM 1450 CZ PHE A 93 10.203 5.388 8.175 1.00 11.34 C ATOM 0 H PHE A 93 11.066 3.933 3.303 1.00 43.53 H new ATOM 0 HA PHE A 93 11.431 6.788 3.697 1.00 31.54 H new ATOM 0 HB2 PHE A 93 13.026 4.337 4.494 1.00 22.03 H new ATOM 0 HB3 PHE A 93 13.538 5.978 4.837 1.00 22.03 H new ATOM 0 HD1 PHE A 93 10.881 3.479 5.497 1.00 30.43 H new ATOM 0 HD2 PHE A 93 12.531 7.238 6.603 1.00 22.32 H new ATOM 0 HE1 PHE A 93 9.465 3.505 7.495 1.00 51.22 H new ATOM 0 HE2 PHE A 93 11.119 7.264 8.611 1.00 52.42 H new ATOM 0 HZ PHE A 93 9.578 5.402 9.056 1.00 11.34 H new ATOM 1460 N ALA A 94 12.852 5.270 1.276 1.00 34.50 N ATOM 1461 CA ALA A 94 13.654 5.497 0.078 1.00 63.40 C ATOM 1462 C ALA A 94 12.993 6.554 -0.787 1.00 62.25 C ATOM 1463 O ALA A 94 13.655 7.257 -1.557 1.00 4.13 O ATOM 1464 CB ALA A 94 13.827 4.209 -0.708 1.00 53.23 C ATOM 0 H ALA A 94 12.309 4.407 1.266 1.00 34.50 H new ATOM 0 HA ALA A 94 14.642 5.845 0.380 1.00 63.40 H new ATOM 0 HB1 ALA A 94 14.428 4.403 -1.596 1.00 53.23 H new ATOM 0 HB2 ALA A 94 14.328 3.467 -0.086 1.00 53.23 H new ATOM 0 HB3 ALA A 94 12.849 3.831 -1.007 1.00 53.23 H new ATOM 1470 N LEU A 95 11.678 6.659 -0.648 1.00 72.04 N ATOM 1471 CA LEU A 95 10.897 7.645 -1.371 1.00 51.03 C ATOM 1472 C LEU A 95 11.145 9.034 -0.817 1.00 42.24 C ATOM 1473 O LEU A 95 11.837 9.205 0.193 1.00 42.04 O ATOM 1474 CB LEU A 95 9.404 7.337 -1.254 1.00 25.01 C ATOM 1475 CG LEU A 95 8.922 6.025 -1.856 1.00 71.51 C ATOM 1476 CD1 LEU A 95 7.434 5.863 -1.606 1.00 4.13 C ATOM 1477 CD2 LEU A 95 9.228 5.970 -3.347 1.00 54.32 C ATOM 0 H LEU A 95 11.127 6.063 -0.031 1.00 72.04 H new ATOM 0 HA LEU A 95 11.202 7.606 -2.417 1.00 51.03 H new ATOM 0 HB2 LEU A 95 9.138 7.343 -0.197 1.00 25.01 H new ATOM 0 HB3 LEU A 95 8.852 8.150 -1.726 1.00 25.01 H new ATOM 0 HG LEU A 95 9.452 5.202 -1.377 1.00 71.51 H new ATOM 0 HD11 LEU A 95 7.093 4.923 -2.039 1.00 4.13 H new ATOM 0 HD12 LEU A 95 7.244 5.859 -0.533 1.00 4.13 H new ATOM 0 HD13 LEU A 95 6.895 6.691 -2.067 1.00 4.13 H new ATOM 0 HD21 LEU A 95 8.875 5.024 -3.756 1.00 54.32 H new ATOM 0 HD22 LEU A 95 8.725 6.794 -3.852 1.00 54.32 H new ATOM 0 HD23 LEU A 95 10.304 6.053 -3.501 1.00 54.32 H new ATOM 1489 N ARG A 96 10.590 10.016 -1.479 1.00 3.13 N ATOM 1490 CA ARG A 96 10.676 11.382 -1.034 1.00 11.41 C ATOM 1491 C ARG A 96 9.298 12.013 -1.025 1.00 3.35 C ATOM 1492 O ARG A 96 8.311 11.372 -1.398 1.00 70.00 O ATOM 1493 CB ARG A 96 11.635 12.190 -1.915 1.00 4.53 C ATOM 1494 CG ARG A 96 13.090 11.757 -1.792 1.00 74.15 C ATOM 1495 CD ARG A 96 13.557 11.837 -0.351 1.00 34.01 C ATOM 1496 NE ARG A 96 14.966 11.494 -0.194 1.00 75.52 N ATOM 1497 CZ ARG A 96 15.409 10.429 0.478 1.00 71.01 C ATOM 1498 NH1 ARG A 96 14.553 9.504 0.920 1.00 23.13 N ATOM 1499 NH2 ARG A 96 16.707 10.272 0.676 1.00 24.31 N ATOM 0 H ARG A 96 10.064 9.890 -2.344 1.00 3.13 H new ATOM 0 HA ARG A 96 11.073 11.388 -0.019 1.00 11.41 H new ATOM 0 HB2 ARG A 96 11.324 12.097 -2.956 1.00 4.53 H new ATOM 0 HB3 ARG A 96 11.555 13.245 -1.651 1.00 4.53 H new ATOM 0 HG2 ARG A 96 13.203 10.737 -2.159 1.00 74.15 H new ATOM 0 HG3 ARG A 96 13.717 12.392 -2.418 1.00 74.15 H new ATOM 0 HD2 ARG A 96 13.389 12.846 0.025 1.00 34.01 H new ATOM 0 HD3 ARG A 96 12.954 11.165 0.260 1.00 34.01 H new ATOM 0 HE ARG A 96 15.657 12.107 -0.625 1.00 75.52 H new ATOM 0 HH11 ARG A 96 13.554 9.609 0.745 1.00 23.13 H new ATOM 0 HH12 ARG A 96 14.899 8.693 1.433 1.00 23.13 H new ATOM 0 HH21 ARG A 96 17.365 10.963 0.316 1.00 24.31 H new ATOM 0 HH22 ARG A 96 17.050 9.460 1.189 1.00 24.31 H new ATOM 1513 N THR A 97 9.232 13.247 -0.581 1.00 34.51 N ATOM 1514 CA THR A 97 7.991 13.987 -0.507 1.00 41.22 C ATOM 1515 C THR A 97 7.321 14.094 -1.886 1.00 44.25 C ATOM 1516 O THR A 97 7.801 14.811 -2.770 1.00 52.12 O ATOM 1517 CB THR A 97 8.258 15.396 0.067 1.00 43.00 C ATOM 1518 OG1 THR A 97 8.844 15.272 1.377 1.00 3.45 O ATOM 1519 CG2 THR A 97 6.978 16.217 0.153 1.00 31.21 C ATOM 0 H THR A 97 10.045 13.771 -0.258 1.00 34.51 H new ATOM 0 HA THR A 97 7.311 13.449 0.153 1.00 41.22 H new ATOM 0 HB THR A 97 8.943 15.915 -0.604 1.00 43.00 H new ATOM 0 HG1 THR A 97 8.474 14.485 1.828 1.00 3.45 H new ATOM 0 HG21 THR A 97 7.204 17.202 0.561 1.00 31.21 H new ATOM 0 HG22 THR A 97 6.549 16.327 -0.843 1.00 31.21 H new ATOM 0 HG23 THR A 97 6.264 15.711 0.802 1.00 31.21 H new ATOM 1527 N GLY A 98 6.235 13.347 -2.068 1.00 70.30 N ATOM 1528 CA GLY A 98 5.504 13.394 -3.315 1.00 3.40 C ATOM 1529 C GLY A 98 5.729 12.169 -4.184 1.00 1.31 C ATOM 1530 O GLY A 98 5.216 12.097 -5.299 1.00 52.24 O ATOM 0 H GLY A 98 5.851 12.710 -1.370 1.00 70.30 H new ATOM 0 HA2 GLY A 98 4.439 13.490 -3.102 1.00 3.40 H new ATOM 0 HA3 GLY A 98 5.800 14.285 -3.869 1.00 3.40 H new ATOM 1534 N GLU A 99 6.482 11.201 -3.680 1.00 31.23 N ATOM 1535 CA GLU A 99 6.780 10.003 -4.457 1.00 3.31 C ATOM 1536 C GLU A 99 5.901 8.824 -4.053 1.00 13.54 C ATOM 1537 O GLU A 99 5.291 8.818 -2.975 1.00 72.12 O ATOM 1538 CB GLU A 99 8.253 9.616 -4.332 1.00 32.21 C ATOM 1539 CG GLU A 99 9.216 10.698 -4.777 1.00 22.23 C ATOM 1540 CD GLU A 99 10.573 10.143 -5.141 1.00 63.43 C ATOM 1541 OE1 GLU A 99 11.325 9.745 -4.229 1.00 43.31 O ATOM 1542 OE2 GLU A 99 10.895 10.097 -6.348 1.00 2.54 O ATOM 0 H GLU A 99 6.894 11.219 -2.747 1.00 31.23 H new ATOM 0 HA GLU A 99 6.563 10.246 -5.497 1.00 3.31 H new ATOM 0 HB2 GLU A 99 8.464 9.361 -3.293 1.00 32.21 H new ATOM 0 HB3 GLU A 99 8.433 8.718 -4.923 1.00 32.21 H new ATOM 0 HG2 GLU A 99 8.798 11.222 -5.636 1.00 22.23 H new ATOM 0 HG3 GLU A 99 9.328 11.432 -3.979 1.00 22.23 H new ATOM 1549 N MET A 100 5.851 7.825 -4.922 1.00 4.21 N ATOM 1550 CA MET A 100 5.063 6.626 -4.688 1.00 14.40 C ATOM 1551 C MET A 100 5.864 5.387 -5.083 1.00 20.35 C ATOM 1552 O MET A 100 6.397 5.311 -6.190 1.00 60.23 O ATOM 1553 CB MET A 100 3.753 6.690 -5.479 1.00 73.05 C ATOM 1554 CG MET A 100 2.867 5.464 -5.316 1.00 23.24 C ATOM 1555 SD MET A 100 1.281 5.628 -6.158 1.00 74.50 S ATOM 1556 CE MET A 100 1.815 5.938 -7.841 1.00 71.33 C ATOM 0 H MET A 100 6.356 7.824 -5.808 1.00 4.21 H new ATOM 0 HA MET A 100 4.823 6.563 -3.626 1.00 14.40 H new ATOM 0 HB2 MET A 100 3.195 7.572 -5.166 1.00 73.05 H new ATOM 0 HB3 MET A 100 3.986 6.819 -6.536 1.00 73.05 H new ATOM 0 HG2 MET A 100 3.390 4.590 -5.704 1.00 23.24 H new ATOM 0 HG3 MET A 100 2.693 5.286 -4.255 1.00 23.24 H new ATOM 0 HE1 MET A 100 0.946 5.973 -8.498 1.00 71.33 H new ATOM 0 HE2 MET A 100 2.342 6.891 -7.886 1.00 71.33 H new ATOM 0 HE3 MET A 100 2.482 5.139 -8.164 1.00 71.33 H new ATOM 1566 N SER A 101 5.936 4.418 -4.177 1.00 20.51 N ATOM 1567 CA SER A 101 6.708 3.197 -4.405 1.00 71.21 C ATOM 1568 C SER A 101 6.005 2.272 -5.393 1.00 12.45 C ATOM 1569 O SER A 101 6.650 1.501 -6.105 1.00 23.00 O ATOM 1570 CB SER A 101 6.947 2.464 -3.077 1.00 20.42 C ATOM 1571 OG SER A 101 7.728 1.297 -3.259 1.00 55.33 O ATOM 0 H SER A 101 5.467 4.453 -3.272 1.00 20.51 H new ATOM 0 HA SER A 101 7.668 3.484 -4.835 1.00 71.21 H new ATOM 0 HB2 SER A 101 7.448 3.132 -2.377 1.00 20.42 H new ATOM 0 HB3 SER A 101 5.989 2.196 -2.631 1.00 20.42 H new ATOM 0 HG SER A 101 7.159 0.571 -3.589 1.00 55.33 H new ATOM 1577 N GLY A 102 4.692 2.350 -5.432 1.00 22.33 N ATOM 1578 CA GLY A 102 3.941 1.499 -6.319 1.00 11.25 C ATOM 1579 C GLY A 102 3.654 0.148 -5.697 1.00 64.11 C ATOM 1580 O GLY A 102 3.236 0.080 -4.546 1.00 22.30 O ATOM 0 H GLY A 102 4.131 2.987 -4.866 1.00 22.33 H new ATOM 0 HA2 GLY A 102 3.001 1.986 -6.580 1.00 11.25 H new ATOM 0 HA3 GLY A 102 4.497 1.361 -7.247 1.00 11.25 H new ATOM 1584 N PRO A 103 3.892 -0.948 -6.431 1.00 62.33 N ATOM 1585 CA PRO A 103 3.615 -2.297 -5.953 1.00 74.20 C ATOM 1586 C PRO A 103 4.752 -2.898 -5.110 1.00 30.41 C ATOM 1587 O PRO A 103 5.838 -3.189 -5.619 1.00 41.43 O ATOM 1588 CB PRO A 103 3.440 -3.087 -7.249 1.00 63.34 C ATOM 1589 CG PRO A 103 4.316 -2.394 -8.246 1.00 4.34 C ATOM 1590 CD PRO A 103 4.449 -0.954 -7.796 1.00 45.22 C ATOM 0 HA PRO A 103 2.752 -2.316 -5.288 1.00 74.20 H new ATOM 0 HB2 PRO A 103 3.736 -4.128 -7.120 1.00 63.34 H new ATOM 0 HB3 PRO A 103 2.399 -3.089 -7.572 1.00 63.34 H new ATOM 0 HG2 PRO A 103 5.294 -2.873 -8.299 1.00 4.34 H new ATOM 0 HG3 PRO A 103 3.881 -2.447 -9.244 1.00 4.34 H new ATOM 0 HD2 PRO A 103 5.489 -0.629 -7.803 1.00 45.22 H new ATOM 0 HD3 PRO A 103 3.900 -0.279 -8.453 1.00 45.22 H new ATOM 1598 N VAL A 104 4.497 -3.061 -3.822 1.00 30.15 N ATOM 1599 CA VAL A 104 5.446 -3.700 -2.920 1.00 14.40 C ATOM 1600 C VAL A 104 4.926 -5.086 -2.537 1.00 51.31 C ATOM 1601 O VAL A 104 3.896 -5.210 -1.864 1.00 10.01 O ATOM 1602 CB VAL A 104 5.671 -2.861 -1.639 1.00 63.14 C ATOM 1603 CG1 VAL A 104 6.676 -3.537 -0.717 1.00 51.44 C ATOM 1604 CG2 VAL A 104 6.134 -1.456 -1.997 1.00 41.52 C ATOM 0 H VAL A 104 3.633 -2.757 -3.373 1.00 30.15 H new ATOM 0 HA VAL A 104 6.401 -3.784 -3.438 1.00 14.40 H new ATOM 0 HB VAL A 104 4.721 -2.788 -1.109 1.00 63.14 H new ATOM 0 HG11 VAL A 104 6.817 -2.928 0.176 1.00 51.44 H new ATOM 0 HG12 VAL A 104 6.303 -4.520 -0.431 1.00 51.44 H new ATOM 0 HG13 VAL A 104 7.629 -3.647 -1.235 1.00 51.44 H new ATOM 0 HG21 VAL A 104 6.287 -0.880 -1.084 1.00 41.52 H new ATOM 0 HG22 VAL A 104 7.070 -1.512 -2.552 1.00 41.52 H new ATOM 0 HG23 VAL A 104 5.376 -0.969 -2.611 1.00 41.52 H new ATOM 1614 N PHE A 105 5.631 -6.116 -2.968 1.00 73.32 N ATOM 1615 CA PHE A 105 5.207 -7.494 -2.741 1.00 11.45 C ATOM 1616 C PHE A 105 5.560 -7.974 -1.336 1.00 1.21 C ATOM 1617 O PHE A 105 6.649 -7.703 -0.831 1.00 5.32 O ATOM 1618 CB PHE A 105 5.842 -8.427 -3.775 1.00 23.34 C ATOM 1619 CG PHE A 105 5.482 -8.110 -5.200 1.00 0.21 C ATOM 1620 CD1 PHE A 105 6.257 -7.237 -5.948 1.00 45.24 C ATOM 1621 CD2 PHE A 105 4.375 -8.690 -5.794 1.00 62.31 C ATOM 1622 CE1 PHE A 105 5.934 -6.949 -7.259 1.00 63.12 C ATOM 1623 CE2 PHE A 105 4.046 -8.406 -7.105 1.00 63.43 C ATOM 1624 CZ PHE A 105 4.828 -7.534 -7.837 1.00 51.10 C ATOM 0 H PHE A 105 6.508 -6.027 -3.482 1.00 73.32 H new ATOM 0 HA PHE A 105 4.122 -7.517 -2.845 1.00 11.45 H new ATOM 0 HB2 PHE A 105 6.926 -8.384 -3.668 1.00 23.34 H new ATOM 0 HB3 PHE A 105 5.541 -9.451 -3.556 1.00 23.34 H new ATOM 0 HD1 PHE A 105 7.125 -6.776 -5.499 1.00 45.24 H new ATOM 0 HD2 PHE A 105 3.761 -9.373 -5.226 1.00 62.31 H new ATOM 0 HE1 PHE A 105 6.546 -6.267 -7.830 1.00 63.12 H new ATOM 0 HE2 PHE A 105 3.179 -8.865 -7.557 1.00 63.43 H new ATOM 0 HZ PHE A 105 4.573 -7.311 -8.862 1.00 51.10 H new ATOM 1634 N THR A 106 4.624 -8.683 -0.718 1.00 52.41 N ATOM 1635 CA THR A 106 4.816 -9.266 0.605 1.00 50.15 C ATOM 1636 C THR A 106 4.113 -10.624 0.666 1.00 43.51 C ATOM 1637 O THR A 106 3.757 -11.189 -0.372 1.00 23.41 O ATOM 1638 CB THR A 106 4.251 -8.356 1.725 1.00 45.21 C ATOM 1639 OG1 THR A 106 2.885 -8.029 1.447 1.00 41.50 O ATOM 1640 CG2 THR A 106 5.068 -7.078 1.868 1.00 45.22 C ATOM 0 H THR A 106 3.706 -8.871 -1.121 1.00 52.41 H new ATOM 0 HA THR A 106 5.888 -9.378 0.767 1.00 50.15 H new ATOM 0 HB THR A 106 4.312 -8.904 2.665 1.00 45.21 H new ATOM 0 HG1 THR A 106 2.640 -8.374 0.563 1.00 41.50 H new ATOM 0 HG21 THR A 106 4.645 -6.463 2.662 1.00 45.22 H new ATOM 0 HG22 THR A 106 6.099 -7.331 2.115 1.00 45.22 H new ATOM 0 HG23 THR A 106 5.046 -6.525 0.929 1.00 45.22 H new ATOM 1648 N ASP A 107 3.918 -11.145 1.865 1.00 20.02 N ATOM 1649 CA ASP A 107 3.228 -12.421 2.035 1.00 75.22 C ATOM 1650 C ASP A 107 1.719 -12.231 1.966 1.00 52.24 C ATOM 1651 O ASP A 107 1.007 -13.013 1.320 1.00 1.12 O ATOM 1652 CB ASP A 107 3.609 -13.077 3.365 1.00 41.14 C ATOM 1653 CG ASP A 107 5.056 -13.513 3.409 1.00 64.45 C ATOM 1654 OD1 ASP A 107 5.375 -14.581 2.848 1.00 11.02 O ATOM 1655 OD2 ASP A 107 5.879 -12.795 4.009 1.00 32.21 O ATOM 0 H ASP A 107 4.225 -10.710 2.735 1.00 20.02 H new ATOM 0 HA ASP A 107 3.539 -13.077 1.222 1.00 75.22 H new ATOM 0 HB2 ASP A 107 3.421 -12.376 4.178 1.00 41.14 H new ATOM 0 HB3 ASP A 107 2.968 -13.942 3.535 1.00 41.14 H new ATOM 1660 N SER A 108 1.235 -11.184 2.621 1.00 72.13 N ATOM 1661 CA SER A 108 -0.190 -10.877 2.648 1.00 42.05 C ATOM 1662 C SER A 108 -0.683 -10.500 1.254 1.00 54.13 C ATOM 1663 O SER A 108 -1.746 -10.943 0.813 1.00 11.20 O ATOM 1664 CB SER A 108 -0.458 -9.730 3.623 1.00 51.32 C ATOM 1665 OG SER A 108 0.136 -9.986 4.885 1.00 32.54 O ATOM 0 H SER A 108 1.814 -10.528 3.145 1.00 72.13 H new ATOM 0 HA SER A 108 -0.730 -11.764 2.980 1.00 42.05 H new ATOM 0 HB2 SER A 108 -0.063 -8.800 3.213 1.00 51.32 H new ATOM 0 HB3 SER A 108 -1.533 -9.594 3.744 1.00 51.32 H new ATOM 0 HG SER A 108 -0.048 -9.238 5.491 1.00 32.54 H new ATOM 1671 N GLY A 109 0.104 -9.696 0.562 1.00 41.25 N ATOM 1672 CA GLY A 109 -0.261 -9.265 -0.762 1.00 64.21 C ATOM 1673 C GLY A 109 0.629 -8.158 -1.251 1.00 75.24 C ATOM 1674 O GLY A 109 1.822 -8.131 -0.941 1.00 71.14 O ATOM 0 H GLY A 109 0.996 -9.333 0.899 1.00 41.25 H new ATOM 0 HA2 GLY A 109 -0.202 -10.109 -1.449 1.00 64.21 H new ATOM 0 HA3 GLY A 109 -1.297 -8.926 -0.762 1.00 64.21 H new ATOM 1678 N ILE A 110 0.063 -7.240 -1.994 1.00 65.50 N ATOM 1679 CA ILE A 110 0.823 -6.132 -2.528 1.00 1.30 C ATOM 1680 C ILE A 110 0.443 -4.837 -1.821 1.00 73.35 C ATOM 1681 O ILE A 110 -0.739 -4.507 -1.702 1.00 31.22 O ATOM 1682 CB ILE A 110 0.601 -5.981 -4.050 1.00 42.21 C ATOM 1683 CG1 ILE A 110 0.901 -7.308 -4.760 1.00 30.30 C ATOM 1684 CG2 ILE A 110 1.480 -4.868 -4.606 1.00 12.03 C ATOM 1685 CD1 ILE A 110 0.603 -7.293 -6.242 1.00 73.43 C ATOM 0 H ILE A 110 -0.926 -7.236 -2.245 1.00 65.50 H new ATOM 0 HA ILE A 110 1.879 -6.340 -2.354 1.00 1.30 H new ATOM 0 HB ILE A 110 -0.441 -5.717 -4.229 1.00 42.21 H new ATOM 0 HG12 ILE A 110 1.952 -7.557 -4.614 1.00 30.30 H new ATOM 0 HG13 ILE A 110 0.317 -8.100 -4.290 1.00 30.30 H new ATOM 0 HG21 ILE A 110 1.313 -4.774 -5.679 1.00 12.03 H new ATOM 0 HG22 ILE A 110 1.230 -3.927 -4.116 1.00 12.03 H new ATOM 0 HG23 ILE A 110 2.528 -5.106 -4.422 1.00 12.03 H new ATOM 0 HD11 ILE A 110 0.841 -8.266 -6.671 1.00 73.43 H new ATOM 0 HD12 ILE A 110 -0.454 -7.076 -6.398 1.00 73.43 H new ATOM 0 HD13 ILE A 110 1.206 -6.525 -6.727 1.00 73.43 H new ATOM 1697 N HIS A 111 1.444 -4.122 -1.333 1.00 1.53 N ATOM 1698 CA HIS A 111 1.222 -2.860 -0.641 1.00 21.53 C ATOM 1699 C HIS A 111 1.603 -1.704 -1.541 1.00 31.44 C ATOM 1700 O HIS A 111 2.639 -1.744 -2.196 1.00 64.30 O ATOM 1701 CB HIS A 111 2.073 -2.760 0.644 1.00 52.12 C ATOM 1702 CG HIS A 111 1.819 -3.813 1.681 1.00 41.35 C ATOM 1703 ND1 HIS A 111 2.156 -5.117 1.713 1.00 1.33 N flip ATOM 1704 CD2 HIS A 111 1.199 -3.556 2.886 1.00 64.23 C flip ATOM 1705 CE1 HIS A 111 1.749 -5.619 2.924 1.00 2.43 C flip ATOM 1706 NE2 HIS A 111 1.175 -4.656 3.610 1.00 71.51 N flip ATOM 0 H HIS A 111 2.424 -4.395 -1.403 1.00 1.53 H new ATOM 0 HA HIS A 111 0.165 -2.818 -0.378 1.00 21.53 H new ATOM 0 HB2 HIS A 111 3.126 -2.800 0.364 1.00 52.12 H new ATOM 0 HB3 HIS A 111 1.900 -1.783 1.096 1.00 52.12 H new ATOM 0 HD2 HIS A 111 0.796 -2.601 3.189 1.00 64.23 H new ATOM 0 HE1 HIS A 111 1.879 -6.638 3.258 1.00 2.43 H new ATOM 0 HE2 HIS A 111 0.778 -4.745 4.545 1.00 71.51 H new ATOM 1715 N ILE A 112 0.770 -0.691 -1.591 1.00 63.52 N ATOM 1716 CA ILE A 112 1.108 0.514 -2.320 1.00 1.15 C ATOM 1717 C ILE A 112 1.509 1.579 -1.324 1.00 23.33 C ATOM 1718 O ILE A 112 0.773 1.850 -0.370 1.00 34.24 O ATOM 1719 CB ILE A 112 -0.056 1.052 -3.185 1.00 34.20 C ATOM 1720 CG1 ILE A 112 -0.631 -0.048 -4.078 1.00 31.43 C ATOM 1721 CG2 ILE A 112 0.429 2.225 -4.039 1.00 12.12 C ATOM 1722 CD1 ILE A 112 -1.715 0.444 -5.020 1.00 65.14 C ATOM 0 H ILE A 112 -0.144 -0.675 -1.138 1.00 63.52 H new ATOM 0 HA ILE A 112 1.922 0.265 -3.001 1.00 1.15 H new ATOM 0 HB ILE A 112 -0.848 1.395 -2.519 1.00 34.20 H new ATOM 0 HG12 ILE A 112 0.176 -0.489 -4.663 1.00 31.43 H new ATOM 0 HG13 ILE A 112 -1.038 -0.840 -3.449 1.00 31.43 H new ATOM 0 HG21 ILE A 112 -0.396 2.599 -4.646 1.00 12.12 H new ATOM 0 HG22 ILE A 112 0.792 3.022 -3.390 1.00 12.12 H new ATOM 0 HG23 ILE A 112 1.236 1.891 -4.691 1.00 12.12 H new ATOM 0 HD11 ILE A 112 -2.078 -0.388 -5.623 1.00 65.14 H new ATOM 0 HD12 ILE A 112 -2.540 0.859 -4.441 1.00 65.14 H new ATOM 0 HD13 ILE A 112 -1.307 1.215 -5.673 1.00 65.14 H new ATOM 1734 N ILE A 113 2.671 2.165 -1.521 1.00 72.35 N ATOM 1735 CA ILE A 113 3.161 3.177 -0.607 1.00 75.23 C ATOM 1736 C ILE A 113 3.150 4.546 -1.255 1.00 34.23 C ATOM 1737 O ILE A 113 3.874 4.795 -2.226 1.00 62.22 O ATOM 1738 CB ILE A 113 4.593 2.862 -0.126 1.00 1.34 C ATOM 1739 CG1 ILE A 113 4.666 1.436 0.421 1.00 23.54 C ATOM 1740 CG2 ILE A 113 5.027 3.867 0.937 1.00 20.14 C ATOM 1741 CD1 ILE A 113 6.057 1.010 0.823 1.00 21.11 C ATOM 0 H ILE A 113 3.293 1.960 -2.303 1.00 72.35 H new ATOM 0 HA ILE A 113 2.491 3.176 0.252 1.00 75.23 H new ATOM 0 HB ILE A 113 5.273 2.942 -0.974 1.00 1.34 H new ATOM 0 HG12 ILE A 113 4.007 1.354 1.285 1.00 23.54 H new ATOM 0 HG13 ILE A 113 4.289 0.747 -0.335 1.00 23.54 H new ATOM 0 HG21 ILE A 113 6.039 3.633 1.267 1.00 20.14 H new ATOM 0 HG22 ILE A 113 5.006 4.873 0.517 1.00 20.14 H new ATOM 0 HG23 ILE A 113 4.347 3.814 1.787 1.00 20.14 H new ATOM 0 HD11 ILE A 113 6.030 -0.012 1.201 1.00 21.11 H new ATOM 0 HD12 ILE A 113 6.717 1.059 -0.043 1.00 21.11 H new ATOM 0 HD13 ILE A 113 6.430 1.675 1.602 1.00 21.11 H new ATOM 1753 N LEU A 114 2.325 5.421 -0.725 1.00 41.11 N ATOM 1754 CA LEU A 114 2.230 6.783 -1.202 1.00 13.14 C ATOM 1755 C LEU A 114 2.777 7.710 -0.128 1.00 2.34 C ATOM 1756 O LEU A 114 2.216 7.803 0.964 1.00 32.51 O ATOM 1757 CB LEU A 114 0.756 7.122 -1.543 1.00 11.11 C ATOM 1758 CG LEU A 114 0.470 8.491 -2.211 1.00 11.32 C ATOM 1759 CD1 LEU A 114 0.547 9.630 -1.208 1.00 40.15 C ATOM 1760 CD2 LEU A 114 1.419 8.738 -3.376 1.00 12.22 C ATOM 0 H LEU A 114 1.699 5.208 0.051 1.00 41.11 H new ATOM 0 HA LEU A 114 2.816 6.910 -2.112 1.00 13.14 H new ATOM 0 HB2 LEU A 114 0.375 6.341 -2.201 1.00 11.11 H new ATOM 0 HB3 LEU A 114 0.178 7.071 -0.621 1.00 11.11 H new ATOM 0 HG LEU A 114 -0.549 8.457 -2.598 1.00 11.32 H new ATOM 0 HD11 LEU A 114 0.341 10.574 -1.713 1.00 40.15 H new ATOM 0 HD12 LEU A 114 -0.189 9.471 -0.420 1.00 40.15 H new ATOM 0 HD13 LEU A 114 1.545 9.663 -0.771 1.00 40.15 H new ATOM 0 HD21 LEU A 114 1.197 9.705 -3.827 1.00 12.22 H new ATOM 0 HD22 LEU A 114 2.447 8.733 -3.015 1.00 12.22 H new ATOM 0 HD23 LEU A 114 1.293 7.952 -4.121 1.00 12.22 H new ATOM 1772 N ARG A 115 3.872 8.374 -0.424 1.00 51.25 N ATOM 1773 CA ARG A 115 4.496 9.255 0.541 1.00 22.21 C ATOM 1774 C ARG A 115 4.118 10.700 0.280 1.00 72.34 C ATOM 1775 O ARG A 115 4.413 11.253 -0.786 1.00 24.51 O ATOM 1776 CB ARG A 115 6.014 9.085 0.521 1.00 24.11 C ATOM 1777 CG ARG A 115 6.747 10.011 1.475 1.00 14.24 C ATOM 1778 CD ARG A 115 8.210 9.645 1.578 1.00 11.21 C ATOM 1779 NE ARG A 115 8.959 10.602 2.386 1.00 3.04 N ATOM 1780 CZ ARG A 115 10.159 10.364 2.906 1.00 60.53 C ATOM 1781 NH1 ARG A 115 10.713 9.156 2.797 1.00 13.45 N ATOM 1782 NH2 ARG A 115 10.791 11.323 3.562 1.00 41.20 N ATOM 0 H ARG A 115 4.349 8.322 -1.324 1.00 51.25 H new ATOM 0 HA ARG A 115 4.131 8.984 1.532 1.00 22.21 H new ATOM 0 HB2 ARG A 115 6.258 8.053 0.772 1.00 24.11 H new ATOM 0 HB3 ARG A 115 6.377 9.261 -0.492 1.00 24.11 H new ATOM 0 HG2 ARG A 115 6.651 11.041 1.132 1.00 14.24 H new ATOM 0 HG3 ARG A 115 6.286 9.959 2.462 1.00 14.24 H new ATOM 0 HD2 ARG A 115 8.305 8.650 2.014 1.00 11.21 H new ATOM 0 HD3 ARG A 115 8.643 9.598 0.579 1.00 11.21 H new ATOM 0 HE ARG A 115 8.534 11.512 2.563 1.00 3.04 H new ATOM 0 HH11 ARG A 115 10.216 8.409 2.313 1.00 13.45 H new ATOM 0 HH12 ARG A 115 11.634 8.979 3.198 1.00 13.45 H new ATOM 0 HH21 ARG A 115 10.357 12.240 3.667 1.00 41.20 H new ATOM 0 HH22 ARG A 115 11.712 11.145 3.963 1.00 41.20 H new ATOM 1796 N THR A 116 3.463 11.310 1.248 1.00 11.11 N ATOM 1797 CA THR A 116 3.062 12.687 1.121 1.00 54.42 C ATOM 1798 C THR A 116 4.175 13.615 1.596 1.00 33.15 C ATOM 1799 O THR A 116 4.494 14.600 0.933 1.00 55.05 O ATOM 1800 CB THR A 116 1.768 12.975 1.906 1.00 32.21 C ATOM 1801 OG1 THR A 116 1.873 12.450 3.239 1.00 2.03 O ATOM 1802 CG2 THR A 116 0.565 12.361 1.212 1.00 73.33 C ATOM 0 H THR A 116 3.200 10.869 2.129 1.00 11.11 H new ATOM 0 HA THR A 116 2.866 12.874 0.065 1.00 54.42 H new ATOM 0 HB THR A 116 1.632 14.056 1.950 1.00 32.21 H new ATOM 0 HG1 THR A 116 1.047 12.639 3.731 1.00 2.03 H new ATOM 0 HG21 THR A 116 -0.336 12.578 1.786 1.00 73.33 H new ATOM 0 HG22 THR A 116 0.468 12.782 0.211 1.00 73.33 H new ATOM 0 HG23 THR A 116 0.698 11.282 1.140 1.00 73.33 H new ATOM 1810 N GLU A 117 4.775 13.276 2.734 1.00 41.31 N ATOM 1811 CA GLU A 117 5.851 14.068 3.310 1.00 23.10 C ATOM 1812 C GLU A 117 7.026 13.184 3.701 1.00 32.12 C ATOM 1813 O GLU A 117 8.018 13.136 2.933 1.00 0.00 O ATOM 1814 CB GLU A 117 5.352 14.851 4.526 1.00 20.20 C ATOM 1815 CG GLU A 117 4.333 15.924 4.189 1.00 41.44 C ATOM 1816 CD GLU A 117 3.736 16.564 5.415 1.00 52.04 C ATOM 1817 OE1 GLU A 117 4.424 17.387 6.061 1.00 61.45 O ATOM 1818 OE2 GLU A 117 2.571 16.257 5.741 1.00 44.14 O ATOM 1819 OXT GLU A 117 6.963 12.537 4.771 1.00 0.00 O ATOM 0 H GLU A 117 4.529 12.449 3.278 1.00 41.31 H new ATOM 0 HA GLU A 117 6.190 14.776 2.553 1.00 23.10 H new ATOM 0 HB2 GLU A 117 4.910 14.154 5.238 1.00 20.20 H new ATOM 0 HB3 GLU A 117 6.204 15.316 5.022 1.00 20.20 H new ATOM 0 HG2 GLU A 117 4.808 16.692 3.578 1.00 41.44 H new ATOM 0 HG3 GLU A 117 3.536 15.486 3.588 1.00 41.44 H new TER 1826 GLU A 117