USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 782 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 91 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc=-0.000563 USER MOD Set 2.1: A 35 TYR OH : rot 99:sc= -11.6! USER MOD Set 2.2: A 39 THR OG1 : rot 0:sc= 1.17 USER MOD Set 2.3: A 69 THR OG1 : rot 123:sc= -2.11! USER MOD Set 3.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 68 SER OG : rot 180:sc= -1.7! USER MOD Single : A 1 SER N :NH3+ -138:sc= 0.0419 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 5 THR OG1 : rot -173:sc= -0.597! USER MOD Single : A 8 THR OG1 : rot 75:sc= 0.181 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0.582 K(o=0.58,f=-6!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc=-0.00189 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.35) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0222 X(o=-0.022,f=-0.054) USER MOD Single : A 36 THR OG1 : rot -70:sc= -0.572 USER MOD Single : A 41 ASN : amide:sc= -0.498 K(o=-0.5,f=-2.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 49 GLN : amide:sc= -0.0235 K(o=-0.023,f=-1.9) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 136:sc= -4.14! USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00566 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -170:sc= -0.428 USER MOD Single : A 61 THR OG1 : rot 59:sc= -0.448! USER MOD Single : A 62 GLN : amide:sc= -0.267 K(o=-0.27,f=-2.1!) USER MOD Single : A 70 GLN : amide:sc= -0.0465 X(o=-0.047,f=-0.28) USER MOD Single : A 71 SER OG : rot 67:sc= 0.26 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN :FLIP amide:sc= -1.69 F(o=-2.3,f=-1.7) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -4.46! C(o=-5.3!,f=-4.5!) USER MOD Single : A 82 SER OG : rot 59:sc= 1.21 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 86 TYR OH : rot 103:sc= -2.92! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.668 USER MOD Single : A 89 GLN : amide:sc= -1.82 K(o=-1.8,f=-8.1!) USER MOD Single : A 92 TYR OH : rot 165:sc= -0.916 USER MOD Single : A 93 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.3) USER MOD Single : A 95 HIS : no HD1:sc= -0.056 X(o=-0.056,f=-0.056) USER MOD Single : A 100 SER OG : rot -86:sc= -3.16! USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.423 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -124:sc= -1.55 (180deg=-5.16!) USER MOD Single : A 104 SER OG : rot 12:sc= -10.1! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.487 28.244 -3.177 1.00 0.00 N ATOM 2 CA SER A 1 -2.910 27.482 -4.339 1.00 0.00 C ATOM 3 C SER A 1 -2.864 25.984 -4.027 1.00 0.00 C ATOM 4 O SER A 1 -3.876 25.293 -4.133 1.00 0.00 O ATOM 5 CB SER A 1 -2.037 27.798 -5.555 1.00 0.00 C ATOM 6 OG SER A 1 -0.648 27.757 -5.237 1.00 0.00 O ATOM 0 H1 SER A 1 -3.107 29.070 -3.059 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.544 27.644 -2.329 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.506 28.564 -3.310 1.00 0.00 H new ATOM 0 HA SER A 1 -3.935 27.766 -4.579 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.249 27.083 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.293 28.786 -5.939 1.00 0.00 H new ATOM 0 HG SER A 1 -0.123 27.962 -6.038 1.00 0.00 H new ATOM 13 N ARG A 2 -1.678 25.528 -3.650 1.00 0.00 N ATOM 14 CA ARG A 2 -1.488 24.125 -3.323 1.00 0.00 C ATOM 15 C ARG A 2 -0.156 23.927 -2.597 1.00 0.00 C ATOM 16 O ARG A 2 0.655 24.848 -2.515 1.00 0.00 O ATOM 17 CB ARG A 2 -1.507 23.256 -4.583 1.00 0.00 C ATOM 18 CG ARG A 2 -2.751 22.366 -4.616 1.00 0.00 C ATOM 19 CD ARG A 2 -2.737 21.449 -5.841 1.00 0.00 C ATOM 20 NE ARG A 2 -3.371 20.153 -5.509 1.00 0.00 N ATOM 21 CZ ARG A 2 -4.698 19.980 -5.342 1.00 0.00 C ATOM 22 NH1 ARG A 2 -5.547 21.022 -5.477 1.00 0.00 N ATOM 23 NH2 ARG A 2 -5.156 18.777 -5.049 1.00 0.00 N ATOM 0 H ARG A 2 -0.841 26.104 -3.564 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.310 23.822 -2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.487 23.892 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -0.611 22.636 -4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.797 21.765 -3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.647 22.987 -4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.268 21.923 -6.666 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.711 21.287 -6.173 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.766 19.339 -5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.186 21.948 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.549 20.883 -5.349 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.509 17.995 -4.952 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.157 18.630 -4.920 1.00 0.00 H new ATOM 37 N ASP A 3 0.031 22.716 -2.090 1.00 0.00 N ATOM 38 CA ASP A 3 1.252 22.385 -1.374 1.00 0.00 C ATOM 39 C ASP A 3 1.376 20.865 -1.263 1.00 0.00 C ATOM 40 O ASP A 3 0.389 20.145 -1.415 1.00 0.00 O ATOM 41 CB ASP A 3 1.231 22.961 0.043 1.00 0.00 C ATOM 42 CG ASP A 3 2.481 22.669 0.876 1.00 0.00 C ATOM 43 OD1 ASP A 3 3.616 22.827 0.403 1.00 0.00 O ATOM 44 OD2 ASP A 3 2.250 22.260 2.079 1.00 0.00 O ATOM 0 H ASP A 3 -0.642 21.953 -2.161 1.00 0.00 H new ATOM 0 HA ASP A 3 2.092 22.809 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.099 24.041 -0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.362 22.565 0.568 1.00 0.00 H new ATOM 50 N PHE A 4 2.596 20.420 -1.002 1.00 0.00 N ATOM 51 CA PHE A 4 2.863 18.998 -0.869 1.00 0.00 C ATOM 52 C PHE A 4 3.030 18.342 -2.242 1.00 0.00 C ATOM 53 O PHE A 4 2.540 18.857 -3.244 1.00 0.00 O ATOM 54 CB PHE A 4 1.653 18.380 -0.166 1.00 0.00 C ATOM 55 CG PHE A 4 0.846 17.422 -1.045 1.00 0.00 C ATOM 56 CD1 PHE A 4 0.439 17.813 -2.283 1.00 0.00 C ATOM 57 CD2 PHE A 4 0.535 16.179 -0.587 1.00 0.00 C ATOM 58 CE1 PHE A 4 -0.310 16.922 -3.097 1.00 0.00 C ATOM 59 CE2 PHE A 4 -0.215 15.289 -1.403 1.00 0.00 C ATOM 60 CZ PHE A 4 -0.623 15.680 -2.640 1.00 0.00 C ATOM 0 H PHE A 4 3.412 21.020 -0.879 1.00 0.00 H new ATOM 0 HA PHE A 4 3.784 18.843 -0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.995 17.844 0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.998 19.180 0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.685 18.800 -2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.858 15.869 0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.631 17.231 -4.081 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.461 14.302 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.195 15.005 -3.259 1.00 0.00 H new ATOM 70 N THR A 5 3.727 17.213 -2.241 1.00 0.00 N ATOM 71 CA THR A 5 3.965 16.482 -3.474 1.00 0.00 C ATOM 72 C THR A 5 2.860 15.448 -3.702 1.00 0.00 C ATOM 73 O THR A 5 2.213 15.004 -2.755 1.00 0.00 O ATOM 74 CB THR A 5 5.363 15.867 -3.395 1.00 0.00 C ATOM 75 OG1 THR A 5 5.283 14.713 -4.225 1.00 0.00 O ATOM 76 CG2 THR A 5 5.680 15.307 -2.007 1.00 0.00 C ATOM 0 H THR A 5 4.133 16.788 -1.407 1.00 0.00 H new ATOM 0 HA THR A 5 3.932 17.144 -4.339 1.00 0.00 H new ATOM 0 HB THR A 5 6.105 16.620 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.111 14.195 -4.145 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.684 14.883 -2.006 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.624 16.108 -1.270 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.958 14.531 -1.754 1.00 0.00 H new ATOM 84 N PRO A 6 2.671 15.089 -5.000 1.00 0.00 N ATOM 85 CA PRO A 6 1.655 14.116 -5.366 1.00 0.00 C ATOM 86 C PRO A 6 2.095 12.698 -5.000 1.00 0.00 C ATOM 87 O PRO A 6 3.052 12.172 -5.572 1.00 0.00 O ATOM 88 CB PRO A 6 1.448 14.306 -6.859 1.00 0.00 C ATOM 89 CG PRO A 6 2.677 15.048 -7.359 1.00 0.00 C ATOM 90 CD PRO A 6 3.417 15.594 -6.149 1.00 0.00 C ATOM 0 HA PRO A 6 0.720 14.262 -4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.339 13.346 -7.364 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.540 14.875 -7.058 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.321 14.379 -7.930 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.388 15.859 -8.027 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.452 15.253 -6.130 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.441 16.684 -6.158 1.00 0.00 H new ATOM 98 N PRO A 7 1.361 12.100 -4.024 1.00 0.00 N ATOM 99 CA PRO A 7 1.665 10.754 -3.575 1.00 0.00 C ATOM 100 C PRO A 7 1.209 9.716 -4.602 1.00 0.00 C ATOM 101 O PRO A 7 0.273 9.960 -5.363 1.00 0.00 O ATOM 102 CB PRO A 7 0.959 10.615 -2.235 1.00 0.00 C ATOM 103 CG PRO A 7 -0.090 11.713 -2.205 1.00 0.00 C ATOM 104 CD PRO A 7 0.223 12.691 -3.325 1.00 0.00 C ATOM 0 HA PRO A 7 2.735 10.580 -3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.499 9.632 -2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.662 10.723 -1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.087 11.292 -2.334 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.082 12.222 -1.241 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.630 12.816 -3.992 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.468 13.678 -2.932 1.00 0.00 H new ATOM 112 N THR A 8 1.890 8.579 -4.591 1.00 0.00 N ATOM 113 CA THR A 8 1.565 7.505 -5.513 1.00 0.00 C ATOM 114 C THR A 8 1.961 6.151 -4.916 1.00 0.00 C ATOM 115 O THR A 8 3.100 5.966 -4.490 1.00 0.00 O ATOM 116 CB THR A 8 2.250 7.801 -6.849 1.00 0.00 C ATOM 117 OG1 THR A 8 2.975 9.004 -6.606 1.00 0.00 O ATOM 118 CG2 THR A 8 1.254 8.182 -7.947 1.00 0.00 C ATOM 0 H THR A 8 2.665 8.379 -3.958 1.00 0.00 H new ATOM 0 HA THR A 8 0.491 7.448 -5.688 1.00 0.00 H new ATOM 0 HB THR A 8 2.822 6.929 -7.165 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.767 8.805 -6.065 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.793 8.382 -8.873 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.554 7.361 -8.104 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.705 9.075 -7.647 1.00 0.00 H new ATOM 126 N VAL A 9 0.998 5.243 -4.902 1.00 0.00 N ATOM 127 CA VAL A 9 1.232 3.913 -4.363 1.00 0.00 C ATOM 128 C VAL A 9 0.707 2.869 -5.351 1.00 0.00 C ATOM 129 O VAL A 9 -0.334 3.067 -5.973 1.00 0.00 O ATOM 130 CB VAL A 9 0.599 3.792 -2.975 1.00 0.00 C ATOM 131 CG1 VAL A 9 -0.915 3.598 -3.075 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.247 2.660 -2.175 1.00 0.00 C ATOM 0 H VAL A 9 0.054 5.401 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 9 2.300 3.735 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 9 0.780 4.726 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.338 3.515 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.358 4.452 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.129 2.688 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.779 2.595 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.112 1.717 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.312 2.861 -2.057 1.00 0.00 H new ATOM 142 N LYS A 10 1.451 1.779 -5.460 1.00 0.00 N ATOM 143 CA LYS A 10 1.074 0.702 -6.362 1.00 0.00 C ATOM 144 C LYS A 10 1.334 -0.641 -5.679 1.00 0.00 C ATOM 145 O LYS A 10 2.012 -0.701 -4.653 1.00 0.00 O ATOM 146 CB LYS A 10 1.785 0.856 -7.708 1.00 0.00 C ATOM 147 CG LYS A 10 1.455 2.203 -8.351 1.00 0.00 C ATOM 148 CD LYS A 10 2.466 2.551 -9.447 1.00 0.00 C ATOM 149 CE LYS A 10 1.852 2.365 -10.838 1.00 0.00 C ATOM 150 NZ LYS A 10 2.888 1.940 -11.807 1.00 0.00 N ATOM 0 H LYS A 10 2.313 1.617 -4.939 1.00 0.00 H new ATOM 0 HA LYS A 10 0.008 0.746 -6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.862 0.771 -7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.487 0.048 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.451 2.172 -8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.456 2.983 -7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.798 3.582 -9.327 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.348 1.919 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.058 1.620 -10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.396 3.298 -11.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.456 1.818 -12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.632 2.665 -11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.304 1.038 -11.497 1.00 0.00 H new ATOM 164 N ILE A 11 0.781 -1.689 -6.275 1.00 0.00 N ATOM 165 CA ILE A 11 0.945 -3.029 -5.739 1.00 0.00 C ATOM 166 C ILE A 11 1.525 -3.941 -6.820 1.00 0.00 C ATOM 167 O ILE A 11 0.939 -4.087 -7.891 1.00 0.00 O ATOM 168 CB ILE A 11 -0.374 -3.534 -5.150 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.320 -3.551 -3.621 1.00 0.00 C ATOM 170 CG2 ILE A 11 -0.744 -4.903 -5.726 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.737 -4.536 -3.119 1.00 0.00 C ATOM 0 H ILE A 11 0.219 -1.636 -7.124 1.00 0.00 H new ATOM 0 HA ILE A 11 1.656 -3.024 -4.913 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.164 -2.840 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.095 -2.551 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.297 -3.826 -3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.685 -5.239 -5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.852 -4.825 -6.808 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.041 -5.621 -5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.754 -4.528 -2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.496 -5.539 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.716 -4.244 -3.499 1.00 0.00 H new ATOM 183 N LEU A 12 2.669 -4.529 -6.503 1.00 0.00 N ATOM 184 CA LEU A 12 3.334 -5.424 -7.435 1.00 0.00 C ATOM 185 C LEU A 12 3.510 -6.795 -6.783 1.00 0.00 C ATOM 186 O LEU A 12 4.029 -6.896 -5.671 1.00 0.00 O ATOM 187 CB LEU A 12 4.644 -4.804 -7.930 1.00 0.00 C ATOM 188 CG LEU A 12 4.548 -3.373 -8.462 1.00 0.00 C ATOM 189 CD1 LEU A 12 5.940 -2.762 -8.639 1.00 0.00 C ATOM 190 CD2 LEU A 12 3.732 -3.323 -9.758 1.00 0.00 C ATOM 0 H LEU A 12 3.153 -4.403 -5.614 1.00 0.00 H new ATOM 0 HA LEU A 12 2.721 -5.572 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.363 -4.819 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.048 -5.438 -8.719 1.00 0.00 H new ATOM 0 HG LEU A 12 4.020 -2.768 -7.725 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.845 -1.745 -9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.455 -2.745 -7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.513 -3.361 -9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.679 -2.295 -10.115 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.211 -3.945 -10.514 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.725 -3.693 -9.568 1.00 0.00 H new ATOM 202 N GLN A 13 3.070 -7.819 -7.499 1.00 0.00 N ATOM 203 CA GLN A 13 3.173 -9.181 -7.004 1.00 0.00 C ATOM 204 C GLN A 13 4.258 -9.943 -7.766 1.00 0.00 C ATOM 205 O GLN A 13 4.389 -9.794 -8.980 1.00 0.00 O ATOM 206 CB GLN A 13 1.827 -9.902 -7.099 1.00 0.00 C ATOM 207 CG GLN A 13 0.731 -8.955 -7.593 1.00 0.00 C ATOM 208 CD GLN A 13 0.756 -8.838 -9.120 1.00 0.00 C ATOM 209 OE1 GLN A 13 1.781 -8.587 -9.731 1.00 0.00 O ATOM 210 NE2 GLN A 13 -0.426 -9.032 -9.695 1.00 0.00 N ATOM 0 H GLN A 13 2.640 -7.732 -8.420 1.00 0.00 H new ATOM 0 HA GLN A 13 3.455 -9.144 -5.952 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.912 -10.751 -7.778 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.554 -10.301 -6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.244 -9.320 -7.268 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.868 -7.970 -7.147 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.244 -9.239 -9.122 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.515 -8.974 -10.709 1.00 0.00 H new ATOM 219 N SER A 14 5.009 -10.741 -7.022 1.00 0.00 N ATOM 220 CA SER A 14 6.079 -11.527 -7.613 1.00 0.00 C ATOM 221 C SER A 14 6.013 -12.967 -7.104 1.00 0.00 C ATOM 222 O SER A 14 6.803 -13.364 -6.246 1.00 0.00 O ATOM 223 CB SER A 14 7.447 -10.914 -7.301 1.00 0.00 C ATOM 224 OG SER A 14 7.612 -9.638 -7.911 1.00 0.00 O ATOM 0 H SER A 14 4.898 -10.860 -6.015 1.00 0.00 H new ATOM 0 HA SER A 14 5.948 -11.526 -8.695 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.563 -10.817 -6.222 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.233 -11.586 -7.647 1.00 0.00 H new ATOM 0 HG SER A 14 8.496 -9.280 -7.687 1.00 0.00 H new ATOM 230 N SER A 15 5.066 -13.712 -7.653 1.00 0.00 N ATOM 231 CA SER A 15 4.887 -15.101 -7.264 1.00 0.00 C ATOM 232 C SER A 15 4.912 -16.000 -8.503 1.00 0.00 C ATOM 233 O SER A 15 5.757 -16.885 -8.613 1.00 0.00 O ATOM 234 CB SER A 15 3.579 -15.295 -6.494 1.00 0.00 C ATOM 235 OG SER A 15 2.472 -14.700 -7.166 1.00 0.00 O ATOM 0 H SER A 15 4.414 -13.381 -8.364 1.00 0.00 H new ATOM 0 HA SER A 15 5.709 -15.379 -6.605 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.392 -16.360 -6.360 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.676 -14.860 -5.499 1.00 0.00 H new ATOM 0 HG SER A 15 1.655 -14.847 -6.644 1.00 0.00 H new ATOM 241 N SER A 16 3.974 -15.738 -9.402 1.00 0.00 N ATOM 242 CA SER A 16 3.877 -16.509 -10.629 1.00 0.00 C ATOM 243 C SER A 16 4.916 -16.021 -11.640 1.00 0.00 C ATOM 244 O SER A 16 5.737 -16.801 -12.119 1.00 0.00 O ATOM 245 CB SER A 16 2.473 -16.422 -11.226 1.00 0.00 C ATOM 246 OG SER A 16 2.211 -17.487 -12.136 1.00 0.00 O ATOM 0 H SER A 16 3.274 -15.002 -9.304 1.00 0.00 H new ATOM 0 HA SER A 16 4.076 -17.554 -10.391 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.736 -16.442 -10.423 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.357 -15.469 -11.741 1.00 0.00 H new ATOM 0 HG SER A 16 1.303 -17.396 -12.494 1.00 0.00 H new ATOM 252 N ASP A 17 4.845 -14.730 -11.934 1.00 0.00 N ATOM 253 CA ASP A 17 5.768 -14.126 -12.879 1.00 0.00 C ATOM 254 C ASP A 17 7.046 -13.712 -12.143 1.00 0.00 C ATOM 255 O ASP A 17 7.885 -13.005 -12.700 1.00 0.00 O ATOM 256 CB ASP A 17 5.163 -12.874 -13.516 1.00 0.00 C ATOM 257 CG ASP A 17 5.304 -12.792 -15.038 1.00 0.00 C ATOM 258 OD1 ASP A 17 6.010 -11.920 -15.568 1.00 0.00 O ATOM 259 OD2 ASP A 17 4.643 -13.681 -15.696 1.00 0.00 O ATOM 0 H ASP A 17 4.162 -14.086 -11.534 1.00 0.00 H new ATOM 0 HA ASP A 17 5.982 -14.859 -13.657 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.104 -12.830 -13.261 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.634 -11.996 -13.074 1.00 0.00 H new ATOM 265 N GLY A 18 7.153 -14.171 -10.906 1.00 0.00 N ATOM 266 CA GLY A 18 8.313 -13.857 -10.089 1.00 0.00 C ATOM 267 C GLY A 18 8.921 -15.127 -9.491 1.00 0.00 C ATOM 268 O GLY A 18 8.781 -15.382 -8.296 1.00 0.00 O ATOM 0 H GLY A 18 6.456 -14.758 -10.449 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.059 -13.342 -10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.025 -13.175 -9.289 1.00 0.00 H new ATOM 272 N GLY A 19 9.585 -15.887 -10.349 1.00 0.00 N ATOM 273 CA GLY A 19 10.216 -17.124 -9.920 1.00 0.00 C ATOM 274 C GLY A 19 10.081 -18.209 -10.990 1.00 0.00 C ATOM 275 O GLY A 19 9.242 -18.102 -11.884 1.00 0.00 O ATOM 0 H GLY A 19 9.700 -15.670 -11.339 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.270 -16.945 -9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.760 -17.466 -8.991 1.00 0.00 H new ATOM 279 N GLY A 20 10.918 -19.228 -10.863 1.00 0.00 N ATOM 280 CA GLY A 20 10.901 -20.330 -11.809 1.00 0.00 C ATOM 281 C GLY A 20 9.826 -21.354 -11.439 1.00 0.00 C ATOM 282 O GLY A 20 9.804 -21.860 -10.317 1.00 0.00 O ATOM 0 H GLY A 20 11.612 -19.313 -10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.715 -19.949 -12.813 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.878 -20.813 -11.827 1.00 0.00 H new ATOM 286 N HIS A 21 8.960 -21.629 -12.403 1.00 0.00 N ATOM 287 CA HIS A 21 7.885 -22.583 -12.193 1.00 0.00 C ATOM 288 C HIS A 21 6.910 -22.034 -11.150 1.00 0.00 C ATOM 289 O HIS A 21 5.885 -21.446 -11.501 1.00 0.00 O ATOM 290 CB HIS A 21 8.444 -23.957 -11.816 1.00 0.00 C ATOM 291 CG HIS A 21 8.671 -24.871 -12.997 1.00 0.00 C ATOM 292 ND1 HIS A 21 7.700 -25.118 -13.952 1.00 0.00 N ATOM 293 CD2 HIS A 21 9.766 -25.593 -13.366 1.00 0.00 C ATOM 294 CE1 HIS A 21 8.200 -25.955 -14.850 1.00 0.00 C ATOM 295 NE2 HIS A 21 9.481 -26.248 -14.485 1.00 0.00 N ATOM 0 H HIS A 21 8.981 -21.208 -13.332 1.00 0.00 H new ATOM 0 HA HIS A 21 7.331 -22.723 -13.121 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.388 -23.822 -11.287 1.00 0.00 H new ATOM 0 HB3 HIS A 21 7.756 -24.440 -11.122 1.00 0.00 H new ATOM 0 HD2 HIS A 21 10.707 -25.627 -12.837 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.684 -26.338 -15.718 1.00 0.00 H new ATOM 0 HE2 HIS A 21 10.115 -26.868 -14.989 1.00 0.00 H new ATOM 303 N PHE A 22 7.259 -22.245 -9.891 1.00 0.00 N ATOM 304 CA PHE A 22 6.425 -21.779 -8.795 1.00 0.00 C ATOM 305 C PHE A 22 7.241 -21.631 -7.509 1.00 0.00 C ATOM 306 O PHE A 22 7.757 -22.616 -6.980 1.00 0.00 O ATOM 307 CB PHE A 22 5.339 -22.837 -8.577 1.00 0.00 C ATOM 308 CG PHE A 22 3.973 -22.449 -9.143 1.00 0.00 C ATOM 309 CD1 PHE A 22 3.182 -21.570 -8.470 1.00 0.00 C ATOM 310 CD2 PHE A 22 3.549 -22.982 -10.320 1.00 0.00 C ATOM 311 CE1 PHE A 22 1.912 -21.212 -8.994 1.00 0.00 C ATOM 312 CE2 PHE A 22 2.279 -22.625 -10.845 1.00 0.00 C ATOM 313 CZ PHE A 22 1.488 -21.746 -10.172 1.00 0.00 C ATOM 0 H PHE A 22 8.108 -22.732 -9.604 1.00 0.00 H new ATOM 0 HA PHE A 22 6.001 -20.805 -9.039 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.659 -23.772 -9.036 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.238 -23.025 -7.508 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.520 -21.144 -7.537 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.179 -23.677 -10.856 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.283 -20.517 -8.458 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.941 -23.051 -11.778 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.523 -21.472 -10.573 1.00 0.00 H new ATOM 323 N PRO A 23 7.337 -20.361 -7.033 1.00 0.00 N ATOM 324 CA PRO A 23 8.083 -20.073 -5.819 1.00 0.00 C ATOM 325 C PRO A 23 7.305 -20.519 -4.577 1.00 0.00 C ATOM 326 O PRO A 23 6.086 -20.372 -4.521 1.00 0.00 O ATOM 327 CB PRO A 23 8.332 -18.574 -5.857 1.00 0.00 C ATOM 328 CG PRO A 23 7.325 -18.008 -6.846 1.00 0.00 C ATOM 329 CD PRO A 23 6.742 -19.173 -7.632 1.00 0.00 C ATOM 0 HA PRO A 23 9.025 -20.619 -5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.201 -18.131 -4.870 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.353 -18.356 -6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.537 -17.468 -6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.807 -17.297 -7.517 1.00 0.00 H new ATOM 0 HD2 PRO A 23 5.655 -19.195 -7.558 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.988 -19.098 -8.691 1.00 0.00 H new ATOM 337 N PRO A 24 8.064 -21.065 -3.590 1.00 0.00 N ATOM 338 CA PRO A 24 7.457 -21.531 -2.353 1.00 0.00 C ATOM 339 C PRO A 24 7.073 -20.356 -1.455 1.00 0.00 C ATOM 340 O PRO A 24 6.605 -20.554 -0.334 1.00 0.00 O ATOM 341 CB PRO A 24 8.500 -22.444 -1.727 1.00 0.00 C ATOM 342 CG PRO A 24 9.819 -22.089 -2.392 1.00 0.00 C ATOM 343 CD PRO A 24 9.511 -21.253 -3.623 1.00 0.00 C ATOM 0 HA PRO A 24 6.522 -22.068 -2.516 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.554 -22.294 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.250 -23.492 -1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.456 -21.534 -1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.361 -22.993 -2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.035 -20.298 -3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.824 -21.761 -4.535 1.00 0.00 H new ATOM 351 N THR A 25 7.284 -19.158 -1.979 1.00 0.00 N ATOM 352 CA THR A 25 6.962 -17.950 -1.237 1.00 0.00 C ATOM 353 C THR A 25 6.283 -16.927 -2.150 1.00 0.00 C ATOM 354 O THR A 25 5.941 -17.238 -3.289 1.00 0.00 O ATOM 355 CB THR A 25 8.252 -17.431 -0.599 1.00 0.00 C ATOM 356 OG1 THR A 25 9.127 -17.220 -1.702 1.00 0.00 O ATOM 357 CG2 THR A 25 8.963 -18.498 0.240 1.00 0.00 C ATOM 0 H THR A 25 7.674 -18.997 -2.908 1.00 0.00 H new ATOM 0 HA THR A 25 6.246 -18.154 -0.441 1.00 0.00 H new ATOM 0 HB THR A 25 8.023 -16.569 0.027 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.987 -16.881 -1.377 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.872 -18.077 0.670 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.303 -18.830 1.041 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.220 -19.347 -0.393 1.00 0.00 H new ATOM 365 N ILE A 26 6.108 -15.728 -1.614 1.00 0.00 N ATOM 366 CA ILE A 26 5.475 -14.658 -2.367 1.00 0.00 C ATOM 367 C ILE A 26 6.275 -13.367 -2.178 1.00 0.00 C ATOM 368 O ILE A 26 6.729 -13.068 -1.076 1.00 0.00 O ATOM 369 CB ILE A 26 4.003 -14.529 -1.981 1.00 0.00 C ATOM 370 CG1 ILE A 26 3.132 -14.265 -3.212 1.00 0.00 C ATOM 371 CG2 ILE A 26 3.807 -13.462 -0.903 1.00 0.00 C ATOM 372 CD1 ILE A 26 1.840 -13.546 -2.827 1.00 0.00 C ATOM 0 H ILE A 26 6.393 -15.474 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 26 5.482 -14.887 -3.433 1.00 0.00 H new ATOM 0 HB ILE A 26 3.680 -15.479 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.687 -13.663 -3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.894 -15.209 -3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.750 -13.392 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.377 -13.733 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.154 -12.499 -1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.241 -13.371 -3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.276 -14.162 -2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.080 -12.591 -2.359 1.00 0.00 H new ATOM 384 N GLN A 27 6.423 -12.634 -3.274 1.00 0.00 N ATOM 385 CA GLN A 27 7.158 -11.382 -3.243 1.00 0.00 C ATOM 386 C GLN A 27 6.258 -10.226 -3.683 1.00 0.00 C ATOM 387 O GLN A 27 6.237 -9.863 -4.858 1.00 0.00 O ATOM 388 CB GLN A 27 8.414 -11.462 -4.115 1.00 0.00 C ATOM 389 CG GLN A 27 9.627 -11.897 -3.290 1.00 0.00 C ATOM 390 CD GLN A 27 10.919 -11.741 -4.096 1.00 0.00 C ATOM 391 OE1 GLN A 27 11.221 -10.690 -4.638 1.00 0.00 O ATOM 392 NE2 GLN A 27 11.663 -12.843 -4.141 1.00 0.00 N ATOM 0 H GLN A 27 6.046 -12.885 -4.188 1.00 0.00 H new ATOM 0 HA GLN A 27 7.478 -11.197 -2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.251 -12.168 -4.929 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.608 -10.490 -4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.687 -11.299 -2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.509 -12.936 -2.982 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.351 -13.689 -3.665 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.546 -12.842 -4.652 1.00 0.00 H new ATOM 401 N LEU A 28 5.534 -9.679 -2.716 1.00 0.00 N ATOM 402 CA LEU A 28 4.636 -8.571 -2.989 1.00 0.00 C ATOM 403 C LEU A 28 5.350 -7.253 -2.690 1.00 0.00 C ATOM 404 O LEU A 28 5.476 -6.862 -1.531 1.00 0.00 O ATOM 405 CB LEU A 28 3.322 -8.748 -2.223 1.00 0.00 C ATOM 406 CG LEU A 28 2.137 -9.279 -3.034 1.00 0.00 C ATOM 407 CD1 LEU A 28 1.163 -10.047 -2.141 1.00 0.00 C ATOM 408 CD2 LEU A 28 1.444 -8.148 -3.798 1.00 0.00 C ATOM 0 H LEU A 28 5.552 -9.983 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 28 4.364 -8.551 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.499 -9.428 -1.389 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.042 -7.785 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 28 2.518 -9.982 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.330 -10.413 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.678 -10.891 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.785 -9.385 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.606 -8.553 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.078 -7.403 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.154 -7.682 -4.481 1.00 0.00 H new ATOM 420 N LEU A 29 5.799 -6.605 -3.755 1.00 0.00 N ATOM 421 CA LEU A 29 6.498 -5.340 -3.622 1.00 0.00 C ATOM 422 C LEU A 29 5.531 -4.194 -3.920 1.00 0.00 C ATOM 423 O LEU A 29 5.000 -4.096 -5.025 1.00 0.00 O ATOM 424 CB LEU A 29 7.755 -5.328 -4.494 1.00 0.00 C ATOM 425 CG LEU A 29 8.988 -6.013 -3.904 1.00 0.00 C ATOM 426 CD1 LEU A 29 8.661 -7.434 -3.446 1.00 0.00 C ATOM 427 CD2 LEU A 29 10.157 -5.984 -4.891 1.00 0.00 C ATOM 0 H LEU A 29 5.692 -6.934 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 29 6.847 -5.204 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.518 -5.806 -5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.010 -4.291 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 29 9.298 -5.454 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.556 -7.897 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.883 -7.401 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.311 -8.019 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.021 -6.478 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.873 -6.504 -5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.410 -4.950 -5.125 1.00 0.00 H new ATOM 439 N CYS A 30 5.330 -3.354 -2.916 1.00 0.00 N ATOM 440 CA CYS A 30 4.435 -2.218 -3.056 1.00 0.00 C ATOM 441 C CYS A 30 5.259 -1.012 -3.512 1.00 0.00 C ATOM 442 O CYS A 30 6.270 -0.678 -2.897 1.00 0.00 O ATOM 443 CB CYS A 30 3.674 -1.932 -1.759 1.00 0.00 C ATOM 444 SG CYS A 30 1.905 -1.522 -1.982 1.00 0.00 S ATOM 0 H CYS A 30 5.772 -3.437 -2.001 1.00 0.00 H new ATOM 0 HA CYS A 30 3.674 -2.442 -3.804 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.751 -2.804 -1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.162 -1.105 -1.243 1.00 0.00 H new ATOM 449 N LEU A 31 4.794 -0.390 -4.586 1.00 0.00 N ATOM 450 CA LEU A 31 5.473 0.771 -5.131 1.00 0.00 C ATOM 451 C LEU A 31 4.833 2.042 -4.572 1.00 0.00 C ATOM 452 O LEU A 31 3.642 2.281 -4.770 1.00 0.00 O ATOM 453 CB LEU A 31 5.491 0.714 -6.661 1.00 0.00 C ATOM 454 CG LEU A 31 5.658 2.053 -7.382 1.00 0.00 C ATOM 455 CD1 LEU A 31 4.457 2.965 -7.128 1.00 0.00 C ATOM 456 CD2 LEU A 31 6.978 2.723 -6.993 1.00 0.00 C ATOM 0 H LEU A 31 3.954 -0.670 -5.093 1.00 0.00 H new ATOM 0 HA LEU A 31 6.518 0.778 -4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.302 0.054 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.561 0.256 -6.998 1.00 0.00 H new ATOM 0 HG LEU A 31 5.697 1.862 -8.454 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.601 3.910 -7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.550 2.482 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.363 3.153 -6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.073 3.673 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.993 2.901 -5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.810 2.073 -7.265 1.00 0.00 H new ATOM 468 N VAL A 32 5.650 2.826 -3.882 1.00 0.00 N ATOM 469 CA VAL A 32 5.177 4.066 -3.292 1.00 0.00 C ATOM 470 C VAL A 32 6.313 5.090 -3.290 1.00 0.00 C ATOM 471 O VAL A 32 7.270 4.962 -2.531 1.00 0.00 O ATOM 472 CB VAL A 32 4.612 3.799 -1.895 1.00 0.00 C ATOM 473 CG1 VAL A 32 5.719 3.823 -0.842 1.00 0.00 C ATOM 474 CG2 VAL A 32 3.506 4.799 -1.551 1.00 0.00 C ATOM 0 H VAL A 32 6.637 2.625 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 32 4.362 4.484 -3.884 1.00 0.00 H new ATOM 0 HB VAL A 32 4.173 2.801 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.290 3.630 0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.457 3.055 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.201 4.801 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.122 4.587 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.910 5.811 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.698 4.712 -2.277 1.00 0.00 H new ATOM 484 N SER A 33 6.170 6.087 -4.153 1.00 0.00 N ATOM 485 CA SER A 33 7.171 7.133 -4.262 1.00 0.00 C ATOM 486 C SER A 33 6.505 8.460 -4.629 1.00 0.00 C ATOM 487 O SER A 33 5.284 8.529 -4.761 1.00 0.00 O ATOM 488 CB SER A 33 8.237 6.771 -5.296 1.00 0.00 C ATOM 489 OG SER A 33 7.663 6.391 -6.545 1.00 0.00 O ATOM 0 H SER A 33 5.375 6.191 -4.783 1.00 0.00 H new ATOM 0 HA SER A 33 7.663 7.236 -3.295 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.900 7.623 -5.446 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.849 5.954 -4.915 1.00 0.00 H new ATOM 0 HG SER A 33 8.377 6.169 -7.179 1.00 0.00 H new ATOM 495 N GLY A 34 7.335 9.480 -4.786 1.00 0.00 N ATOM 496 CA GLY A 34 6.842 10.801 -5.135 1.00 0.00 C ATOM 497 C GLY A 34 6.340 11.545 -3.897 1.00 0.00 C ATOM 498 O GLY A 34 6.706 12.696 -3.666 1.00 0.00 O ATOM 0 H GLY A 34 8.347 9.418 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.637 11.375 -5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.035 10.711 -5.862 1.00 0.00 H new ATOM 502 N TYR A 35 5.506 10.855 -3.132 1.00 0.00 N ATOM 503 CA TYR A 35 4.947 11.437 -1.922 1.00 0.00 C ATOM 504 C TYR A 35 6.051 11.778 -0.918 1.00 0.00 C ATOM 505 O TYR A 35 7.065 11.086 -0.846 1.00 0.00 O ATOM 506 CB TYR A 35 4.040 10.363 -1.318 1.00 0.00 C ATOM 507 CG TYR A 35 4.788 9.124 -0.823 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.652 9.220 0.249 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.597 7.909 -1.449 1.00 0.00 C ATOM 510 CE1 TYR A 35 6.355 8.052 0.713 1.00 0.00 C ATOM 511 CE2 TYR A 35 5.302 6.741 -0.984 1.00 0.00 C ATOM 512 CZ TYR A 35 6.144 6.871 0.074 1.00 0.00 C ATOM 513 OH TYR A 35 6.809 5.768 0.513 1.00 0.00 O ATOM 0 H TYR A 35 5.204 9.900 -3.326 1.00 0.00 H new ATOM 0 HA TYR A 35 4.410 12.358 -2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.485 10.796 -0.486 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.307 10.058 -2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.801 10.171 0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.920 7.833 -2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.035 8.113 1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.164 5.784 -1.466 1.00 0.00 H new ATOM 0 HH TYR A 35 6.219 5.237 1.088 1.00 0.00 H new ATOM 523 N THR A 36 5.815 12.847 -0.170 1.00 0.00 N ATOM 524 CA THR A 36 6.777 13.289 0.827 1.00 0.00 C ATOM 525 C THR A 36 8.171 13.400 0.208 1.00 0.00 C ATOM 526 O THR A 36 8.584 12.537 -0.567 1.00 0.00 O ATOM 527 CB THR A 36 6.713 12.319 2.009 1.00 0.00 C ATOM 528 OG1 THR A 36 5.321 12.070 2.179 1.00 0.00 O ATOM 529 CG2 THR A 36 7.138 12.973 3.325 1.00 0.00 C ATOM 0 H THR A 36 4.973 13.419 -0.234 1.00 0.00 H new ATOM 0 HA THR A 36 6.537 14.287 1.194 1.00 0.00 H new ATOM 0 HB THR A 36 7.351 11.459 1.808 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.884 12.876 2.526 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.075 12.242 4.131 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.164 13.330 3.239 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.478 13.813 3.544 1.00 0.00 H new ATOM 537 N PRO A 37 8.881 14.500 0.583 1.00 0.00 N ATOM 538 CA PRO A 37 10.220 14.735 0.073 1.00 0.00 C ATOM 539 C PRO A 37 11.234 13.809 0.749 1.00 0.00 C ATOM 540 O PRO A 37 12.371 13.690 0.293 1.00 0.00 O ATOM 541 CB PRO A 37 10.489 16.208 0.342 1.00 0.00 C ATOM 542 CG PRO A 37 9.484 16.628 1.401 1.00 0.00 C ATOM 543 CD PRO A 37 8.425 15.543 1.497 1.00 0.00 C ATOM 0 HA PRO A 37 10.311 14.514 -0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.510 16.361 0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.370 16.799 -0.566 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.978 16.765 2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.029 17.583 1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.335 15.166 2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.444 15.921 1.210 1.00 0.00 H new ATOM 551 N GLY A 38 10.788 13.179 1.825 1.00 0.00 N ATOM 552 CA GLY A 38 11.641 12.267 2.566 1.00 0.00 C ATOM 553 C GLY A 38 10.995 10.886 2.689 1.00 0.00 C ATOM 554 O GLY A 38 11.529 10.003 3.359 1.00 0.00 O ATOM 0 H GLY A 38 9.846 13.282 2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.605 12.178 2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.834 12.671 3.560 1.00 0.00 H new ATOM 558 N THR A 39 9.852 10.742 2.033 1.00 0.00 N ATOM 559 CA THR A 39 9.127 9.485 2.059 1.00 0.00 C ATOM 560 C THR A 39 8.077 9.497 3.173 1.00 0.00 C ATOM 561 O THR A 39 7.771 10.551 3.729 1.00 0.00 O ATOM 562 CB THR A 39 10.147 8.353 2.198 1.00 0.00 C ATOM 563 OG1 THR A 39 9.559 7.266 1.488 1.00 0.00 O ATOM 564 CG2 THR A 39 10.261 7.841 3.635 1.00 0.00 C ATOM 0 H THR A 39 9.411 11.477 1.480 1.00 0.00 H new ATOM 0 HA THR A 39 8.572 9.330 1.134 1.00 0.00 H new ATOM 0 HB THR A 39 11.123 8.700 1.858 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.695 7.545 1.119 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.998 7.039 3.678 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.573 8.656 4.288 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.293 7.463 3.964 1.00 0.00 H new ATOM 572 N ILE A 40 7.559 8.314 3.467 1.00 0.00 N ATOM 573 CA ILE A 40 6.552 8.175 4.505 1.00 0.00 C ATOM 574 C ILE A 40 6.894 6.973 5.385 1.00 0.00 C ATOM 575 O ILE A 40 8.064 6.725 5.678 1.00 0.00 O ATOM 576 CB ILE A 40 5.153 8.109 3.889 1.00 0.00 C ATOM 577 CG1 ILE A 40 5.020 6.899 2.959 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.804 9.417 3.179 1.00 0.00 C ATOM 579 CD1 ILE A 40 3.980 7.156 1.870 1.00 0.00 C ATOM 0 H ILE A 40 7.818 7.443 3.004 1.00 0.00 H new ATOM 0 HA ILE A 40 6.549 9.052 5.152 1.00 0.00 H new ATOM 0 HB ILE A 40 4.431 7.978 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.985 6.680 2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.736 6.020 3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.805 9.343 2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.832 10.238 3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.527 9.604 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.906 6.281 1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.011 7.350 2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.280 8.020 1.277 1.00 0.00 H new ATOM 591 N ASN A 41 5.854 6.256 5.783 1.00 0.00 N ATOM 592 CA ASN A 41 6.030 5.083 6.627 1.00 0.00 C ATOM 593 C ASN A 41 5.575 3.839 5.862 1.00 0.00 C ATOM 594 O ASN A 41 4.831 3.943 4.885 1.00 0.00 O ATOM 595 CB ASN A 41 5.191 5.190 7.901 1.00 0.00 C ATOM 596 CG ASN A 41 5.475 4.019 8.843 1.00 0.00 C ATOM 597 OD1 ASN A 41 6.600 3.577 9.002 1.00 0.00 O ATOM 598 ND2 ASN A 41 4.396 3.545 9.457 1.00 0.00 N ATOM 0 H ASN A 41 4.886 6.463 5.538 1.00 0.00 H new ATOM 0 HA ASN A 41 7.084 5.015 6.896 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.410 6.130 8.407 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.132 5.206 7.643 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.481 2.764 10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.483 3.962 9.278 1.00 0.00 H new ATOM 605 N ILE A 42 6.037 2.692 6.334 1.00 0.00 N ATOM 606 CA ILE A 42 5.687 1.429 5.708 1.00 0.00 C ATOM 607 C ILE A 42 4.838 0.602 6.676 1.00 0.00 C ATOM 608 O ILE A 42 5.144 0.525 7.864 1.00 0.00 O ATOM 609 CB ILE A 42 6.945 0.705 5.218 1.00 0.00 C ATOM 610 CG1 ILE A 42 8.088 1.693 4.985 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.645 -0.133 3.975 1.00 0.00 C ATOM 612 CD1 ILE A 42 7.671 2.796 4.010 1.00 0.00 C ATOM 0 H ILE A 42 6.652 2.610 7.144 1.00 0.00 H new ATOM 0 HA ILE A 42 5.080 1.601 4.819 1.00 0.00 H new ATOM 0 HB ILE A 42 7.271 0.016 5.997 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.389 2.137 5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.956 1.164 4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.555 -0.637 3.647 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.884 -0.876 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.282 0.516 3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.503 3.485 3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.394 2.351 3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.818 3.339 4.418 1.00 0.00 H new ATOM 624 N THR A 43 3.788 0.006 6.130 1.00 0.00 N ATOM 625 CA THR A 43 2.892 -0.812 6.931 1.00 0.00 C ATOM 626 C THR A 43 2.171 -1.833 6.050 1.00 0.00 C ATOM 627 O THR A 43 1.952 -1.589 4.864 1.00 0.00 O ATOM 628 CB THR A 43 1.942 0.123 7.681 1.00 0.00 C ATOM 629 OG1 THR A 43 2.728 1.283 7.938 1.00 0.00 O ATOM 630 CG2 THR A 43 1.584 -0.401 9.073 1.00 0.00 C ATOM 0 H THR A 43 3.538 0.073 5.143 1.00 0.00 H new ATOM 0 HA THR A 43 3.443 -1.397 7.667 1.00 0.00 H new ATOM 0 HB THR A 43 1.031 0.258 7.099 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.189 1.943 8.421 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.908 0.300 9.563 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.097 -1.372 8.982 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.492 -0.505 9.667 1.00 0.00 H new ATOM 638 N TRP A 44 1.820 -2.955 6.662 1.00 0.00 N ATOM 639 CA TRP A 44 1.128 -4.013 5.948 1.00 0.00 C ATOM 640 C TRP A 44 0.140 -4.668 6.914 1.00 0.00 C ATOM 641 O TRP A 44 0.505 -5.026 8.033 1.00 0.00 O ATOM 642 CB TRP A 44 2.121 -5.009 5.343 1.00 0.00 C ATOM 643 CG TRP A 44 3.110 -4.382 4.359 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.015 -3.422 4.596 1.00 0.00 C ATOM 645 CD2 TRP A 44 3.256 -4.709 2.960 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.731 -3.109 3.458 1.00 0.00 N ATOM 647 CE2 TRP A 44 4.254 -3.917 2.432 1.00 0.00 C ATOM 648 CE3 TRP A 44 2.565 -5.644 2.168 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.654 -3.979 1.091 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.977 -5.693 0.831 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.980 -4.902 0.283 1.00 0.00 C ATOM 0 H TRP A 44 2.003 -3.154 7.646 1.00 0.00 H new ATOM 0 HA TRP A 44 0.572 -3.607 5.103 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.679 -5.485 6.149 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.565 -5.795 4.832 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.165 -2.952 5.557 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.473 -2.413 3.384 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.780 -6.273 2.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.440 -3.349 0.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.480 -6.396 0.179 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.238 -4.999 -0.761 1.00 0.00 H new ATOM 662 N LEU A 45 -1.093 -4.804 6.449 1.00 0.00 N ATOM 663 CA LEU A 45 -2.137 -5.409 7.258 1.00 0.00 C ATOM 664 C LEU A 45 -2.426 -6.819 6.740 1.00 0.00 C ATOM 665 O LEU A 45 -2.850 -6.990 5.597 1.00 0.00 O ATOM 666 CB LEU A 45 -3.370 -4.507 7.304 1.00 0.00 C ATOM 667 CG LEU A 45 -3.736 -3.940 8.678 1.00 0.00 C ATOM 668 CD1 LEU A 45 -4.325 -2.534 8.552 1.00 0.00 C ATOM 669 CD2 LEU A 45 -4.674 -4.888 9.429 1.00 0.00 C ATOM 0 H LEU A 45 -1.393 -4.505 5.521 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.806 -5.510 8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.212 -3.674 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.223 -5.071 6.927 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.823 -3.855 9.267 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.576 -2.155 9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.594 -1.874 8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.225 -2.570 7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.919 -4.462 10.402 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.589 -5.027 8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.183 -5.851 9.568 1.00 0.00 H new ATOM 681 N GLU A 46 -2.184 -7.794 7.603 1.00 0.00 N ATOM 682 CA GLU A 46 -2.413 -9.185 7.246 1.00 0.00 C ATOM 683 C GLU A 46 -3.713 -9.687 7.878 1.00 0.00 C ATOM 684 O GLU A 46 -4.175 -9.138 8.876 1.00 0.00 O ATOM 685 CB GLU A 46 -1.228 -10.059 7.661 1.00 0.00 C ATOM 686 CG GLU A 46 -0.619 -10.768 6.448 1.00 0.00 C ATOM 687 CD GLU A 46 0.215 -11.974 6.882 1.00 0.00 C ATOM 688 OE1 GLU A 46 0.510 -12.127 8.076 1.00 0.00 O ATOM 689 OE2 GLU A 46 0.561 -12.768 5.926 1.00 0.00 O ATOM 0 H GLU A 46 -1.832 -7.649 8.549 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.509 -9.252 6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.470 -9.444 8.146 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.555 -10.798 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.413 -11.093 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.006 -10.071 5.890 1.00 0.00 H new ATOM 697 N ASP A 47 -4.267 -10.725 7.267 1.00 0.00 N ATOM 698 CA ASP A 47 -5.505 -11.307 7.757 1.00 0.00 C ATOM 699 C ASP A 47 -5.530 -12.799 7.417 1.00 0.00 C ATOM 700 O ASP A 47 -5.794 -13.175 6.276 1.00 0.00 O ATOM 701 CB ASP A 47 -6.720 -10.652 7.097 1.00 0.00 C ATOM 702 CG ASP A 47 -7.599 -9.826 8.039 1.00 0.00 C ATOM 703 OD1 ASP A 47 -8.445 -10.368 8.763 1.00 0.00 O ATOM 704 OD2 ASP A 47 -7.382 -8.553 8.007 1.00 0.00 O ATOM 0 H ASP A 47 -3.881 -11.177 6.438 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.550 -11.148 8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.373 -10.008 6.289 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.332 -11.431 6.642 1.00 0.00 H new ATOM 710 N GLY A 48 -5.253 -13.608 8.430 1.00 0.00 N ATOM 711 CA GLY A 48 -5.240 -15.049 8.253 1.00 0.00 C ATOM 712 C GLY A 48 -4.253 -15.711 9.217 1.00 0.00 C ATOM 713 O GLY A 48 -3.322 -16.392 8.789 1.00 0.00 O ATOM 0 H GLY A 48 -5.036 -13.292 9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.240 -15.449 8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.968 -15.290 7.226 1.00 0.00 H new ATOM 717 N GLN A 49 -4.488 -15.488 10.501 1.00 0.00 N ATOM 718 CA GLN A 49 -3.631 -16.055 11.530 1.00 0.00 C ATOM 719 C GLN A 49 -2.362 -15.215 11.683 1.00 0.00 C ATOM 720 O GLN A 49 -1.449 -15.309 10.865 1.00 0.00 O ATOM 721 CB GLN A 49 -3.290 -17.513 11.215 1.00 0.00 C ATOM 722 CG GLN A 49 -3.615 -18.419 12.405 1.00 0.00 C ATOM 723 CD GLN A 49 -5.109 -18.743 12.455 1.00 0.00 C ATOM 724 OE1 GLN A 49 -5.961 -17.888 12.284 1.00 0.00 O ATOM 725 NE2 GLN A 49 -5.376 -20.023 12.700 1.00 0.00 N ATOM 0 H GLN A 49 -5.260 -14.922 10.854 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.170 -16.039 12.477 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.850 -17.841 10.339 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.232 -17.598 10.966 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.041 -19.343 12.331 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.314 -17.930 13.332 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.613 -20.687 12.833 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.344 -20.341 12.754 1.00 0.00 H new ATOM 734 N VAL A 50 -2.347 -14.411 12.738 1.00 0.00 N ATOM 735 CA VAL A 50 -1.206 -13.554 13.009 1.00 0.00 C ATOM 736 C VAL A 50 -0.106 -14.378 13.685 1.00 0.00 C ATOM 737 O VAL A 50 0.509 -13.925 14.650 1.00 0.00 O ATOM 738 CB VAL A 50 -1.642 -12.346 13.839 1.00 0.00 C ATOM 739 CG1 VAL A 50 -2.007 -12.762 15.264 1.00 0.00 C ATOM 740 CG2 VAL A 50 -0.562 -11.263 13.841 1.00 0.00 C ATOM 0 H VAL A 50 -3.107 -14.336 13.414 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.795 -13.160 12.079 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.535 -11.926 13.376 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.313 -11.884 15.832 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.827 -13.480 15.235 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.141 -13.220 15.742 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.898 -10.415 14.438 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.357 -11.666 14.267 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.374 -10.935 12.819 1.00 0.00 H new ATOM 750 N MET A 51 0.107 -15.572 13.154 1.00 0.00 N ATOM 751 CA MET A 51 1.121 -16.462 13.693 1.00 0.00 C ATOM 752 C MET A 51 2.487 -16.186 13.060 1.00 0.00 C ATOM 753 O MET A 51 2.637 -15.240 12.289 1.00 0.00 O ATOM 754 CB MET A 51 0.720 -17.915 13.428 1.00 0.00 C ATOM 755 CG MET A 51 0.694 -18.721 14.726 1.00 0.00 C ATOM 756 SD MET A 51 2.067 -19.862 14.764 1.00 0.00 S ATOM 757 CE MET A 51 1.961 -20.420 16.459 1.00 0.00 C ATOM 0 H MET A 51 -0.406 -15.945 12.355 1.00 0.00 H new ATOM 0 HA MET A 51 1.197 -16.287 14.766 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.263 -17.945 12.957 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.422 -18.368 12.728 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.745 -18.049 15.582 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.246 -19.267 14.806 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.752 -21.144 16.654 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.074 -19.569 17.130 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.991 -20.889 16.628 1.00 0.00 H new ATOM 767 N ASP A 52 3.448 -17.026 13.413 1.00 0.00 N ATOM 768 CA ASP A 52 4.795 -16.886 12.889 1.00 0.00 C ATOM 769 C ASP A 52 4.779 -17.119 11.379 1.00 0.00 C ATOM 770 O ASP A 52 5.078 -18.217 10.912 1.00 0.00 O ATOM 771 CB ASP A 52 5.741 -17.912 13.516 1.00 0.00 C ATOM 772 CG ASP A 52 7.230 -17.613 13.339 1.00 0.00 C ATOM 773 OD1 ASP A 52 8.012 -18.482 12.925 1.00 0.00 O ATOM 774 OD2 ASP A 52 7.586 -16.412 13.650 1.00 0.00 O ATOM 0 H ASP A 52 3.320 -17.807 14.056 1.00 0.00 H new ATOM 0 HA ASP A 52 5.144 -15.881 13.127 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.524 -17.980 14.582 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.529 -18.890 13.085 1.00 0.00 H new ATOM 780 N VAL A 53 4.425 -16.068 10.651 1.00 0.00 N ATOM 781 CA VAL A 53 4.365 -16.146 9.202 1.00 0.00 C ATOM 782 C VAL A 53 5.479 -15.286 8.603 1.00 0.00 C ATOM 783 O VAL A 53 6.659 -15.595 8.761 1.00 0.00 O ATOM 784 CB VAL A 53 2.970 -15.743 8.715 1.00 0.00 C ATOM 785 CG1 VAL A 53 1.971 -16.886 8.908 1.00 0.00 C ATOM 786 CG2 VAL A 53 2.491 -14.470 9.416 1.00 0.00 C ATOM 0 H VAL A 53 4.177 -15.158 11.039 1.00 0.00 H new ATOM 0 HA VAL A 53 4.529 -17.170 8.866 1.00 0.00 H new ATOM 0 HB VAL A 53 3.035 -15.532 7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.988 -16.574 8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.301 -17.757 8.342 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.911 -17.142 9.966 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.498 -14.206 9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.450 -14.641 10.492 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.184 -13.655 9.204 1.00 0.00 H new ATOM 796 N ASP A 54 5.064 -14.224 7.929 1.00 0.00 N ATOM 797 CA ASP A 54 6.014 -13.316 7.306 1.00 0.00 C ATOM 798 C ASP A 54 5.490 -11.882 7.414 1.00 0.00 C ATOM 799 O ASP A 54 4.484 -11.635 8.077 1.00 0.00 O ATOM 800 CB ASP A 54 6.194 -13.644 5.822 1.00 0.00 C ATOM 801 CG ASP A 54 7.573 -14.187 5.441 1.00 0.00 C ATOM 802 OD1 ASP A 54 7.723 -15.376 5.121 1.00 0.00 O ATOM 803 OD2 ASP A 54 8.530 -13.325 5.485 1.00 0.00 O ATOM 0 H ASP A 54 4.084 -13.971 7.800 1.00 0.00 H new ATOM 0 HA ASP A 54 6.970 -13.423 7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.440 -14.376 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.002 -12.742 5.240 1.00 0.00 H new ATOM 809 N LEU A 55 6.196 -10.978 6.752 1.00 0.00 N ATOM 810 CA LEU A 55 5.814 -9.576 6.766 1.00 0.00 C ATOM 811 C LEU A 55 6.333 -8.898 5.496 1.00 0.00 C ATOM 812 O LEU A 55 6.975 -9.538 4.664 1.00 0.00 O ATOM 813 CB LEU A 55 6.286 -8.904 8.058 1.00 0.00 C ATOM 814 CG LEU A 55 7.538 -8.034 7.942 1.00 0.00 C ATOM 815 CD1 LEU A 55 8.551 -8.654 6.979 1.00 0.00 C ATOM 816 CD2 LEU A 55 7.175 -6.600 7.546 1.00 0.00 C ATOM 0 H LEU A 55 7.030 -11.188 6.203 1.00 0.00 H new ATOM 0 HA LEU A 55 4.728 -9.477 6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.473 -8.287 8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.474 -9.680 8.800 1.00 0.00 H new ATOM 0 HG LEU A 55 8.013 -7.988 8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.431 -8.014 6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.843 -9.639 7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.101 -8.751 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.083 -6.002 7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.664 -6.607 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.519 -6.169 8.302 1.00 0.00 H new ATOM 828 N SER A 56 6.037 -7.612 5.387 1.00 0.00 N ATOM 829 CA SER A 56 6.464 -6.841 4.232 1.00 0.00 C ATOM 830 C SER A 56 7.036 -5.495 4.684 1.00 0.00 C ATOM 831 O SER A 56 6.456 -4.825 5.537 1.00 0.00 O ATOM 832 CB SER A 56 5.307 -6.622 3.255 1.00 0.00 C ATOM 833 OG SER A 56 4.039 -6.792 3.883 1.00 0.00 O ATOM 0 H SER A 56 5.506 -7.084 6.080 1.00 0.00 H new ATOM 0 HA SER A 56 7.240 -7.405 3.714 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.372 -5.618 2.835 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.397 -7.322 2.424 1.00 0.00 H new ATOM 0 HG SER A 56 3.437 -6.071 3.604 1.00 0.00 H new ATOM 839 N THR A 57 8.168 -5.142 4.093 1.00 0.00 N ATOM 840 CA THR A 57 8.825 -3.888 4.424 1.00 0.00 C ATOM 841 C THR A 57 9.169 -3.113 3.151 1.00 0.00 C ATOM 842 O THR A 57 9.257 -3.694 2.071 1.00 0.00 O ATOM 843 CB THR A 57 10.046 -4.210 5.287 1.00 0.00 C ATOM 844 OG1 THR A 57 9.845 -5.563 5.685 1.00 0.00 O ATOM 845 CG2 THR A 57 10.054 -3.431 6.604 1.00 0.00 C ATOM 0 H THR A 57 8.647 -5.702 3.387 1.00 0.00 H new ATOM 0 HA THR A 57 8.166 -3.235 4.996 1.00 0.00 H new ATOM 0 HB THR A 57 10.954 -3.986 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.593 -5.853 6.247 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.941 -3.697 7.178 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.064 -2.361 6.394 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.162 -3.679 7.179 1.00 0.00 H new ATOM 853 N ALA A 58 9.352 -1.811 3.320 1.00 0.00 N ATOM 854 CA ALA A 58 9.682 -0.950 2.197 1.00 0.00 C ATOM 855 C ALA A 58 10.854 -0.044 2.584 1.00 0.00 C ATOM 856 O ALA A 58 11.036 0.275 3.757 1.00 0.00 O ATOM 857 CB ALA A 58 8.444 -0.156 1.782 1.00 0.00 C ATOM 0 H ALA A 58 9.278 -1.332 4.217 1.00 0.00 H new ATOM 0 HA ALA A 58 9.992 -1.542 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.692 0.490 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.651 -0.845 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.105 0.454 2.620 1.00 0.00 H new ATOM 863 N SER A 59 11.618 0.343 1.573 1.00 0.00 N ATOM 864 CA SER A 59 12.767 1.206 1.792 1.00 0.00 C ATOM 865 C SER A 59 12.476 2.612 1.259 1.00 0.00 C ATOM 866 O SER A 59 11.652 2.781 0.362 1.00 0.00 O ATOM 867 CB SER A 59 14.019 0.636 1.124 1.00 0.00 C ATOM 868 OG SER A 59 14.952 0.133 2.078 1.00 0.00 O ATOM 0 H SER A 59 11.464 0.075 0.601 1.00 0.00 H new ATOM 0 HA SER A 59 12.952 1.261 2.865 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.733 -0.163 0.440 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.496 1.412 0.525 1.00 0.00 H new ATOM 0 HG SER A 59 15.737 -0.224 1.612 1.00 0.00 H new ATOM 874 N THR A 60 13.166 3.583 1.838 1.00 0.00 N ATOM 875 CA THR A 60 12.992 4.967 1.433 1.00 0.00 C ATOM 876 C THR A 60 14.181 5.431 0.593 1.00 0.00 C ATOM 877 O THR A 60 15.322 5.069 0.872 1.00 0.00 O ATOM 878 CB THR A 60 12.777 5.805 2.696 1.00 0.00 C ATOM 879 OG1 THR A 60 12.917 7.151 2.248 1.00 0.00 O ATOM 880 CG2 THR A 60 13.905 5.632 3.714 1.00 0.00 C ATOM 0 H THR A 60 13.846 3.439 2.584 1.00 0.00 H new ATOM 0 HA THR A 60 12.117 5.085 0.793 1.00 0.00 H new ATOM 0 HB THR A 60 11.828 5.529 3.156 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.950 7.751 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.702 6.248 4.590 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.968 4.586 4.013 1.00 0.00 H new ATOM 0 HG23 THR A 60 14.850 5.939 3.266 1.00 0.00 H new ATOM 888 N THR A 61 13.875 6.227 -0.421 1.00 0.00 N ATOM 889 CA THR A 61 14.904 6.745 -1.305 1.00 0.00 C ATOM 890 C THR A 61 14.587 8.185 -1.710 1.00 0.00 C ATOM 891 O THR A 61 13.437 8.619 -1.627 1.00 0.00 O ATOM 892 CB THR A 61 15.028 5.792 -2.497 1.00 0.00 C ATOM 893 OG1 THR A 61 13.866 4.974 -2.409 1.00 0.00 O ATOM 894 CG2 THR A 61 16.190 4.807 -2.341 1.00 0.00 C ATOM 0 H THR A 61 12.927 6.526 -0.650 1.00 0.00 H new ATOM 0 HA THR A 61 15.870 6.788 -0.802 1.00 0.00 H new ATOM 0 HB THR A 61 15.162 6.370 -3.411 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.065 5.537 -2.458 1.00 0.00 H new ATOM 0 HG21 THR A 61 16.233 4.154 -3.213 1.00 0.00 H new ATOM 0 HG22 THR A 61 17.126 5.359 -2.254 1.00 0.00 H new ATOM 0 HG23 THR A 61 16.039 4.205 -1.445 1.00 0.00 H new ATOM 902 N GLN A 62 15.624 8.888 -2.139 1.00 0.00 N ATOM 903 CA GLN A 62 15.468 10.272 -2.557 1.00 0.00 C ATOM 904 C GLN A 62 15.295 10.351 -4.076 1.00 0.00 C ATOM 905 O GLN A 62 16.076 9.764 -4.825 1.00 0.00 O ATOM 906 CB GLN A 62 16.657 11.119 -2.095 1.00 0.00 C ATOM 907 CG GLN A 62 17.911 10.795 -2.907 1.00 0.00 C ATOM 908 CD GLN A 62 19.156 10.799 -2.016 1.00 0.00 C ATOM 909 OE1 GLN A 62 19.090 10.607 -0.813 1.00 0.00 O ATOM 910 NE2 GLN A 62 20.291 11.024 -2.672 1.00 0.00 N ATOM 0 H GLN A 62 16.575 8.526 -2.207 1.00 0.00 H new ATOM 0 HA GLN A 62 14.571 10.676 -2.088 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.416 12.177 -2.199 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.848 10.938 -1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.801 9.819 -3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.029 11.525 -3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.276 11.177 -3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.177 11.043 -2.167 1.00 0.00 H new ATOM 919 N GLU A 63 14.271 11.083 -4.485 1.00 0.00 N ATOM 920 CA GLU A 63 13.985 11.247 -5.901 1.00 0.00 C ATOM 921 C GLU A 63 13.815 12.730 -6.239 1.00 0.00 C ATOM 922 O GLU A 63 12.735 13.159 -6.638 1.00 0.00 O ATOM 923 CB GLU A 63 12.745 10.447 -6.306 1.00 0.00 C ATOM 924 CG GLU A 63 13.124 9.029 -6.736 1.00 0.00 C ATOM 925 CD GLU A 63 12.147 8.495 -7.786 1.00 0.00 C ATOM 926 OE1 GLU A 63 10.985 8.926 -7.826 1.00 0.00 O ATOM 927 OE2 GLU A 63 12.634 7.602 -8.580 1.00 0.00 O ATOM 0 H GLU A 63 13.628 11.570 -3.861 1.00 0.00 H new ATOM 0 HA GLU A 63 14.830 10.859 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.047 10.403 -5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.232 10.954 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.136 9.026 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.126 8.370 -5.868 1.00 0.00 H new ATOM 935 N GLY A 64 14.901 13.470 -6.068 1.00 0.00 N ATOM 936 CA GLY A 64 14.888 14.896 -6.350 1.00 0.00 C ATOM 937 C GLY A 64 14.115 15.661 -5.273 1.00 0.00 C ATOM 938 O GLY A 64 14.592 15.805 -4.147 1.00 0.00 O ATOM 0 H GLY A 64 15.796 13.109 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.911 15.269 -6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.433 15.074 -7.325 1.00 0.00 H new ATOM 942 N GLU A 65 12.937 16.131 -5.655 1.00 0.00 N ATOM 943 CA GLU A 65 12.095 16.879 -4.736 1.00 0.00 C ATOM 944 C GLU A 65 11.004 15.973 -4.160 1.00 0.00 C ATOM 945 O GLU A 65 10.181 16.418 -3.362 1.00 0.00 O ATOM 946 CB GLU A 65 11.486 18.103 -5.421 1.00 0.00 C ATOM 947 CG GLU A 65 10.725 18.970 -4.417 1.00 0.00 C ATOM 948 CD GLU A 65 11.242 20.411 -4.431 1.00 0.00 C ATOM 949 OE1 GLU A 65 11.582 20.958 -3.371 1.00 0.00 O ATOM 950 OE2 GLU A 65 11.286 20.961 -5.595 1.00 0.00 O ATOM 0 H GLU A 65 12.545 16.009 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 65 12.716 17.236 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.274 18.691 -5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.811 17.782 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.661 18.960 -4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.832 18.552 -3.416 1.00 0.00 H new ATOM 958 N LEU A 66 11.035 14.719 -4.587 1.00 0.00 N ATOM 959 CA LEU A 66 10.059 13.747 -4.124 1.00 0.00 C ATOM 960 C LEU A 66 10.773 12.651 -3.330 1.00 0.00 C ATOM 961 O LEU A 66 11.994 12.683 -3.182 1.00 0.00 O ATOM 962 CB LEU A 66 9.234 13.217 -5.298 1.00 0.00 C ATOM 963 CG LEU A 66 9.302 14.034 -6.590 1.00 0.00 C ATOM 964 CD1 LEU A 66 10.280 13.406 -7.585 1.00 0.00 C ATOM 965 CD2 LEU A 66 7.909 14.220 -7.195 1.00 0.00 C ATOM 0 H LEU A 66 11.720 14.354 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 66 9.345 14.217 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.562 12.201 -5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.192 13.155 -4.985 1.00 0.00 H new ATOM 0 HG LEU A 66 9.683 15.026 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.309 14.006 -8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.275 13.369 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.953 12.395 -7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.986 14.804 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.477 13.245 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.270 14.744 -6.484 1.00 0.00 H new ATOM 977 N ALA A 67 9.980 11.709 -2.839 1.00 0.00 N ATOM 978 CA ALA A 67 10.523 10.607 -2.064 1.00 0.00 C ATOM 979 C ALA A 67 9.993 9.285 -2.625 1.00 0.00 C ATOM 980 O ALA A 67 8.785 9.051 -2.635 1.00 0.00 O ATOM 981 CB ALA A 67 10.168 10.798 -0.587 1.00 0.00 C ATOM 0 H ALA A 67 8.968 11.687 -2.963 1.00 0.00 H new ATOM 0 HA ALA A 67 11.610 10.584 -2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.575 9.971 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.591 11.737 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.084 10.822 -0.473 1.00 0.00 H new ATOM 987 N SER A 68 10.922 8.457 -3.078 1.00 0.00 N ATOM 988 CA SER A 68 10.564 7.166 -3.640 1.00 0.00 C ATOM 989 C SER A 68 10.845 6.057 -2.624 1.00 0.00 C ATOM 990 O SER A 68 11.998 5.818 -2.264 1.00 0.00 O ATOM 991 CB SER A 68 11.324 6.899 -4.941 1.00 0.00 C ATOM 992 OG SER A 68 10.863 5.723 -5.599 1.00 0.00 O ATOM 0 H SER A 68 11.923 8.655 -3.067 1.00 0.00 H new ATOM 0 HA SER A 68 9.499 7.178 -3.871 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.212 7.754 -5.608 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.388 6.800 -4.725 1.00 0.00 H new ATOM 0 HG SER A 68 11.372 5.590 -6.425 1.00 0.00 H new ATOM 998 N THR A 69 9.775 5.408 -2.192 1.00 0.00 N ATOM 999 CA THR A 69 9.894 4.331 -1.225 1.00 0.00 C ATOM 1000 C THR A 69 9.432 3.007 -1.841 1.00 0.00 C ATOM 1001 O THR A 69 8.280 2.880 -2.253 1.00 0.00 O ATOM 1002 CB THR A 69 9.103 4.726 0.023 1.00 0.00 C ATOM 1003 OG1 THR A 69 10.104 5.133 0.954 1.00 0.00 O ATOM 1004 CG2 THR A 69 8.433 3.527 0.699 1.00 0.00 C ATOM 0 H THR A 69 8.821 5.607 -2.494 1.00 0.00 H new ATOM 0 HA THR A 69 10.933 4.175 -0.934 1.00 0.00 H new ATOM 0 HB THR A 69 8.344 5.460 -0.247 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.926 6.052 1.245 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.885 3.865 1.579 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.742 3.055 0.001 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.194 2.807 0.999 1.00 0.00 H new ATOM 1012 N GLN A 70 10.353 2.058 -1.884 1.00 0.00 N ATOM 1013 CA GLN A 70 10.056 0.750 -2.443 1.00 0.00 C ATOM 1014 C GLN A 70 9.611 -0.211 -1.337 1.00 0.00 C ATOM 1015 O GLN A 70 10.311 -0.387 -0.343 1.00 0.00 O ATOM 1016 CB GLN A 70 11.262 0.191 -3.201 1.00 0.00 C ATOM 1017 CG GLN A 70 10.829 -0.876 -4.211 1.00 0.00 C ATOM 1018 CD GLN A 70 11.289 -0.511 -5.623 1.00 0.00 C ATOM 1019 OE1 GLN A 70 12.393 -0.038 -5.843 1.00 0.00 O ATOM 1020 NE2 GLN A 70 10.382 -0.756 -6.566 1.00 0.00 N ATOM 0 H GLN A 70 11.307 2.168 -1.541 1.00 0.00 H new ATOM 0 HA GLN A 70 9.238 0.858 -3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.777 1.000 -3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.973 -0.239 -2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.246 -1.842 -3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.744 -0.980 -4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.477 -1.153 -6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.592 -0.547 -7.542 1.00 0.00 H new ATOM 1029 N SER A 71 8.445 -0.804 -1.550 1.00 0.00 N ATOM 1030 CA SER A 71 7.898 -1.742 -0.586 1.00 0.00 C ATOM 1031 C SER A 71 8.025 -3.171 -1.113 1.00 0.00 C ATOM 1032 O SER A 71 7.845 -3.416 -2.306 1.00 0.00 O ATOM 1033 CB SER A 71 6.433 -1.420 -0.276 1.00 0.00 C ATOM 1034 OG SER A 71 6.098 -0.078 -0.618 1.00 0.00 O ATOM 0 H SER A 71 7.865 -0.653 -2.375 1.00 0.00 H new ATOM 0 HA SER A 71 8.468 -1.652 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.787 -2.106 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.243 -1.582 0.785 1.00 0.00 H new ATOM 0 HG SER A 71 6.147 0.034 -1.590 1.00 0.00 H new ATOM 1040 N GLU A 72 8.333 -4.081 -0.201 1.00 0.00 N ATOM 1041 CA GLU A 72 8.488 -5.480 -0.559 1.00 0.00 C ATOM 1042 C GLU A 72 7.745 -6.371 0.439 1.00 0.00 C ATOM 1043 O GLU A 72 7.606 -6.014 1.609 1.00 0.00 O ATOM 1044 CB GLU A 72 9.967 -5.866 -0.642 1.00 0.00 C ATOM 1045 CG GLU A 72 10.856 -4.620 -0.694 1.00 0.00 C ATOM 1046 CD GLU A 72 12.334 -5.006 -0.778 1.00 0.00 C ATOM 1047 OE1 GLU A 72 12.881 -5.121 -1.884 1.00 0.00 O ATOM 1048 OE2 GLU A 72 12.917 -5.185 0.359 1.00 0.00 O ATOM 0 H GLU A 72 8.480 -3.876 0.787 1.00 0.00 H new ATOM 0 HA GLU A 72 8.051 -5.631 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.237 -6.474 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.138 -6.477 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.586 -4.011 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.685 -4.010 0.193 1.00 0.00 H new ATOM 1056 N LEU A 73 7.287 -7.508 -0.059 1.00 0.00 N ATOM 1057 CA LEU A 73 6.563 -8.452 0.776 1.00 0.00 C ATOM 1058 C LEU A 73 7.170 -9.846 0.611 1.00 0.00 C ATOM 1059 O LEU A 73 7.502 -10.255 -0.503 1.00 0.00 O ATOM 1060 CB LEU A 73 5.064 -8.394 0.470 1.00 0.00 C ATOM 1061 CG LEU A 73 4.207 -9.489 1.108 1.00 0.00 C ATOM 1062 CD1 LEU A 73 4.739 -9.868 2.491 1.00 0.00 C ATOM 1063 CD2 LEU A 73 2.734 -9.079 1.154 1.00 0.00 C ATOM 0 H LEU A 73 7.402 -7.798 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 73 6.663 -8.185 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.684 -7.426 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.932 -8.440 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 73 4.273 -10.379 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.111 -10.648 2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.761 -10.234 2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.724 -8.992 3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.149 -9.876 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.628 -8.167 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.374 -8.901 0.141 1.00 0.00 H new ATOM 1075 N THR A 74 7.299 -10.539 1.733 1.00 0.00 N ATOM 1076 CA THR A 74 7.861 -11.878 1.725 1.00 0.00 C ATOM 1077 C THR A 74 7.056 -12.799 2.644 1.00 0.00 C ATOM 1078 O THR A 74 6.995 -12.579 3.853 1.00 0.00 O ATOM 1079 CB THR A 74 9.337 -11.773 2.113 1.00 0.00 C ATOM 1080 OG1 THR A 74 9.671 -13.082 2.564 1.00 0.00 O ATOM 1081 CG2 THR A 74 9.559 -10.886 3.342 1.00 0.00 C ATOM 0 H THR A 74 7.024 -10.198 2.654 1.00 0.00 H new ATOM 0 HA THR A 74 7.801 -12.326 0.733 1.00 0.00 H new ATOM 0 HB THR A 74 9.906 -11.376 1.272 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.613 -13.104 2.834 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.623 -10.846 3.574 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.194 -9.880 3.135 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.018 -11.300 4.192 1.00 0.00 H new ATOM 1089 N LEU A 75 6.459 -13.813 2.035 1.00 0.00 N ATOM 1090 CA LEU A 75 5.660 -14.769 2.783 1.00 0.00 C ATOM 1091 C LEU A 75 5.815 -16.156 2.157 1.00 0.00 C ATOM 1092 O LEU A 75 6.174 -16.277 0.986 1.00 0.00 O ATOM 1093 CB LEU A 75 4.208 -14.296 2.878 1.00 0.00 C ATOM 1094 CG LEU A 75 3.182 -15.120 2.098 1.00 0.00 C ATOM 1095 CD1 LEU A 75 2.562 -16.203 2.982 1.00 0.00 C ATOM 1096 CD2 LEU A 75 2.118 -14.217 1.467 1.00 0.00 C ATOM 0 H LEU A 75 6.512 -13.993 1.033 1.00 0.00 H new ATOM 0 HA LEU A 75 6.015 -14.841 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.917 -14.290 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.159 -13.265 2.527 1.00 0.00 H new ATOM 0 HG LEU A 75 3.700 -15.626 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.836 -16.774 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.345 -16.871 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.063 -15.737 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.401 -14.828 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.599 -13.664 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.595 -13.516 0.783 1.00 0.00 H new ATOM 1108 N SER A 76 5.534 -17.169 2.964 1.00 0.00 N ATOM 1109 CA SER A 76 5.638 -18.544 2.504 1.00 0.00 C ATOM 1110 C SER A 76 4.346 -18.958 1.799 1.00 0.00 C ATOM 1111 O SER A 76 3.254 -18.586 2.227 1.00 0.00 O ATOM 1112 CB SER A 76 5.937 -19.492 3.666 1.00 0.00 C ATOM 1113 OG SER A 76 7.325 -19.794 3.767 1.00 0.00 O ATOM 0 H SER A 76 5.234 -17.065 3.933 1.00 0.00 H new ATOM 0 HA SER A 76 6.466 -18.607 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.596 -19.041 4.598 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.374 -20.416 3.534 1.00 0.00 H new ATOM 0 HG SER A 76 7.474 -20.401 4.522 1.00 0.00 H new ATOM 1119 N GLN A 77 4.511 -19.722 0.729 1.00 0.00 N ATOM 1120 CA GLN A 77 3.371 -20.191 -0.041 1.00 0.00 C ATOM 1121 C GLN A 77 2.448 -21.036 0.840 1.00 0.00 C ATOM 1122 O GLN A 77 1.243 -21.099 0.602 1.00 0.00 O ATOM 1123 CB GLN A 77 3.825 -20.977 -1.271 1.00 0.00 C ATOM 1124 CG GLN A 77 2.721 -21.028 -2.329 1.00 0.00 C ATOM 1125 CD GLN A 77 1.737 -22.164 -2.038 1.00 0.00 C ATOM 1126 OE1 GLN A 77 0.458 -21.794 -2.081 1.00 0.00 O flip ATOM 1127 NE2 GLN A 77 2.111 -23.297 -1.792 1.00 0.00 N flip ATOM 0 H GLN A 77 5.418 -20.028 0.377 1.00 0.00 H new ATOM 0 HA GLN A 77 2.813 -19.323 -0.392 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.717 -20.514 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.100 -21.990 -0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.189 -20.077 -2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.163 -21.168 -3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.108 -23.513 -1.775 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.427 -24.030 -1.603 1.00 0.00 H new ATOM 1136 N LYS A 78 3.050 -21.666 1.840 1.00 0.00 N ATOM 1137 CA LYS A 78 2.296 -22.503 2.756 1.00 0.00 C ATOM 1138 C LYS A 78 1.114 -21.708 3.314 1.00 0.00 C ATOM 1139 O LYS A 78 -0.033 -22.142 3.215 1.00 0.00 O ATOM 1140 CB LYS A 78 3.216 -23.077 3.836 1.00 0.00 C ATOM 1141 CG LYS A 78 2.753 -24.468 4.270 1.00 0.00 C ATOM 1142 CD LYS A 78 2.827 -24.622 5.791 1.00 0.00 C ATOM 1143 CE LYS A 78 1.441 -24.481 6.426 1.00 0.00 C ATOM 1144 NZ LYS A 78 1.110 -25.685 7.220 1.00 0.00 N ATOM 0 H LYS A 78 4.050 -21.613 2.035 1.00 0.00 H new ATOM 0 HA LYS A 78 1.881 -23.364 2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.237 -23.132 3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.231 -22.410 4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.730 -24.636 3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.374 -25.227 3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.248 -25.596 6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.498 -23.869 6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.415 -23.598 7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.692 -24.334 5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.167 -25.573 7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.114 -26.521 6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.816 -25.809 7.974 1.00 0.00 H new ATOM 1158 N HIS A 79 1.434 -20.558 3.890 1.00 0.00 N ATOM 1159 CA HIS A 79 0.412 -19.698 4.463 1.00 0.00 C ATOM 1160 C HIS A 79 -0.604 -19.320 3.384 1.00 0.00 C ATOM 1161 O HIS A 79 -1.808 -19.322 3.633 1.00 0.00 O ATOM 1162 CB HIS A 79 1.044 -18.480 5.136 1.00 0.00 C ATOM 1163 CG HIS A 79 2.193 -18.813 6.058 1.00 0.00 C ATOM 1164 ND1 HIS A 79 2.292 -19.730 7.064 1.00 0.00 N flip ATOM 1165 CD2 HIS A 79 3.418 -18.169 5.994 1.00 0.00 C flip ATOM 1166 CE1 HIS A 79 3.509 -19.648 7.587 1.00 0.00 C flip ATOM 1167 NE2 HIS A 79 4.209 -18.682 6.925 1.00 0.00 N flip ATOM 0 H HIS A 79 2.386 -20.202 3.972 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.125 -20.235 5.245 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.397 -17.795 4.365 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.277 -17.953 5.704 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.683 -17.383 5.303 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.884 -20.248 8.403 1.00 0.00 H new ATOM 0 HE2 HIS A 79 5.172 -18.404 7.114 1.00 0.00 H new ATOM 1175 N TRP A 80 -0.081 -19.002 2.208 1.00 0.00 N ATOM 1176 CA TRP A 80 -0.928 -18.622 1.091 1.00 0.00 C ATOM 1177 C TRP A 80 -1.852 -19.798 0.776 1.00 0.00 C ATOM 1178 O TRP A 80 -2.882 -19.627 0.127 1.00 0.00 O ATOM 1179 CB TRP A 80 -0.087 -18.183 -0.110 1.00 0.00 C ATOM 1180 CG TRP A 80 -0.912 -17.781 -1.333 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -1.678 -18.564 -2.104 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -1.023 -16.459 -1.900 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -2.273 -17.846 -3.122 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -1.861 -16.525 -2.994 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -0.434 -15.245 -1.500 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -2.186 -15.413 -3.778 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -0.769 -14.143 -2.295 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -1.611 -14.194 -3.399 1.00 0.00 C ATOM 0 H TRP A 80 0.919 -19.000 2.005 1.00 0.00 H new ATOM 0 HA TRP A 80 -1.541 -17.758 1.348 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.539 -17.341 0.186 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.583 -18.996 -0.388 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -1.813 -19.624 -1.949 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -2.900 -18.217 -3.836 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.224 -15.170 -0.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -2.845 -15.491 -4.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.343 -13.186 -2.032 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.821 -13.297 -3.963 1.00 0.00 H new ATOM 1199 N LEU A 81 -1.450 -20.971 1.251 1.00 0.00 N ATOM 1200 CA LEU A 81 -2.230 -22.175 1.027 1.00 0.00 C ATOM 1201 C LEU A 81 -3.367 -22.238 2.050 1.00 0.00 C ATOM 1202 O LEU A 81 -4.500 -22.566 1.703 1.00 0.00 O ATOM 1203 CB LEU A 81 -1.323 -23.408 1.037 1.00 0.00 C ATOM 1204 CG LEU A 81 -1.809 -24.602 0.213 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -3.290 -24.883 0.475 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -1.519 -24.397 -1.276 1.00 0.00 C ATOM 0 H LEU A 81 -0.595 -21.111 1.789 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.691 -22.154 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.339 -23.114 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.194 -23.732 2.070 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.253 -25.484 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.610 -25.736 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.437 -25.105 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.880 -24.008 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.875 -25.260 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.030 -23.500 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.445 -24.284 -1.425 1.00 0.00 H new ATOM 1218 N SER A 82 -3.022 -21.924 3.290 1.00 0.00 N ATOM 1219 CA SER A 82 -3.998 -21.942 4.364 1.00 0.00 C ATOM 1220 C SER A 82 -4.799 -20.637 4.367 1.00 0.00 C ATOM 1221 O SER A 82 -5.244 -20.179 5.418 1.00 0.00 O ATOM 1222 CB SER A 82 -3.322 -22.150 5.722 1.00 0.00 C ATOM 1223 OG SER A 82 -3.117 -20.920 6.410 1.00 0.00 O ATOM 0 H SER A 82 -2.080 -21.656 3.574 1.00 0.00 H new ATOM 0 HA SER A 82 -4.676 -22.778 4.193 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.935 -22.810 6.335 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.364 -22.649 5.577 1.00 0.00 H new ATOM 0 HG SER A 82 -3.979 -20.474 6.547 1.00 0.00 H new ATOM 1229 N ASP A 83 -4.959 -20.078 3.177 1.00 0.00 N ATOM 1230 CA ASP A 83 -5.698 -18.836 3.026 1.00 0.00 C ATOM 1231 C ASP A 83 -5.007 -17.735 3.834 1.00 0.00 C ATOM 1232 O ASP A 83 -4.386 -18.010 4.859 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.128 -18.980 3.552 1.00 0.00 C ATOM 1234 CG ASP A 83 -7.704 -17.726 4.212 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -7.572 -17.525 5.428 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -8.318 -16.921 3.411 1.00 0.00 O ATOM 0 H ASP A 83 -4.589 -20.462 2.308 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.726 -18.587 1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.776 -19.267 2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.153 -19.796 4.274 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.138 -16.513 3.339 1.00 0.00 N ATOM 1243 CA ARG A 84 -4.532 -15.370 4.002 1.00 0.00 C ATOM 1244 C ARG A 84 -4.869 -14.081 3.246 1.00 0.00 C ATOM 1245 O ARG A 84 -5.322 -14.126 2.105 1.00 0.00 O ATOM 1246 CB ARG A 84 -3.012 -15.522 4.085 1.00 0.00 C ATOM 1247 CG ARG A 84 -2.552 -15.631 5.539 1.00 0.00 C ATOM 1248 CD ARG A 84 -1.178 -14.985 5.729 1.00 0.00 C ATOM 1249 NE ARG A 84 -0.969 -14.654 7.158 1.00 0.00 N ATOM 1250 CZ ARG A 84 -1.696 -13.743 7.838 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -2.689 -13.063 7.225 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -1.421 -13.527 9.110 1.00 0.00 N ATOM 0 H ARG A 84 -5.654 -16.289 2.488 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.935 -15.320 5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.701 -16.409 3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.531 -14.667 3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.279 -15.147 6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.509 -16.680 5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.397 -15.664 5.386 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.104 -14.082 5.123 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.229 -15.146 7.659 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.894 -13.236 6.241 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.234 -12.376 7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.669 -14.045 9.564 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.960 -12.842 9.639 1.00 0.00 H new ATOM 1266 N THR A 85 -4.631 -12.962 3.917 1.00 0.00 N ATOM 1267 CA THR A 85 -4.903 -11.664 3.326 1.00 0.00 C ATOM 1268 C THR A 85 -3.687 -10.746 3.469 1.00 0.00 C ATOM 1269 O THR A 85 -3.270 -10.435 4.583 1.00 0.00 O ATOM 1270 CB THR A 85 -6.168 -11.103 3.977 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.214 -11.474 3.083 1.00 0.00 O ATOM 1272 CG2 THR A 85 -6.199 -9.573 3.971 1.00 0.00 C ATOM 0 H THR A 85 -4.253 -12.929 4.864 1.00 0.00 H new ATOM 0 HA THR A 85 -5.082 -11.748 2.254 1.00 0.00 H new ATOM 0 HB THR A 85 -6.239 -11.465 5.003 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.071 -11.151 3.430 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.117 -9.226 4.444 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.340 -9.190 4.521 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.162 -9.212 2.943 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.153 -10.342 2.327 1.00 0.00 N ATOM 1281 CA TYR A 86 -1.992 -9.468 2.312 1.00 0.00 C ATOM 1282 C TYR A 86 -2.371 -8.062 1.840 1.00 0.00 C ATOM 1283 O TYR A 86 -3.025 -7.905 0.810 1.00 0.00 O ATOM 1284 CB TYR A 86 -1.014 -10.083 1.311 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.515 -11.373 0.660 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.439 -11.314 -0.365 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -1.049 -12.595 1.099 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -2.912 -12.530 -0.976 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -1.523 -13.809 0.486 1.00 0.00 C ATOM 1290 CZ TYR A 86 -2.431 -13.717 -0.521 1.00 0.00 C ATOM 1291 OH TYR A 86 -2.878 -14.864 -1.100 1.00 0.00 O ATOM 0 H TYR A 86 -3.502 -10.603 1.405 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.566 -9.379 3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.803 -9.353 0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.072 -10.287 1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.806 -10.358 -0.708 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.329 -12.641 1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.634 -12.499 -1.779 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.165 -14.772 0.819 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.197 -15.206 -1.716 1.00 0.00 H new ATOM 1301 N THR A 87 -1.943 -7.077 2.615 1.00 0.00 N ATOM 1302 CA THR A 87 -2.229 -5.691 2.290 1.00 0.00 C ATOM 1303 C THR A 87 -1.059 -4.793 2.699 1.00 0.00 C ATOM 1304 O THR A 87 -0.650 -4.791 3.859 1.00 0.00 O ATOM 1305 CB THR A 87 -3.549 -5.309 2.962 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.341 -6.490 2.862 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.332 -4.266 2.162 1.00 0.00 C ATOM 0 H THR A 87 -1.400 -7.212 3.468 1.00 0.00 H new ATOM 0 HA THR A 87 -2.343 -5.555 1.215 1.00 0.00 H new ATOM 0 HB THR A 87 -3.351 -4.925 3.963 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.216 -6.333 3.275 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.260 -4.030 2.682 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.733 -3.361 2.060 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.561 -4.663 1.173 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.553 -4.054 1.723 1.00 0.00 N ATOM 1316 CA CYS A 88 0.564 -3.156 1.967 1.00 0.00 C ATOM 1317 C CYS A 88 0.006 -1.752 2.212 1.00 0.00 C ATOM 1318 O CYS A 88 -0.277 -1.020 1.266 1.00 0.00 O ATOM 1319 CB CYS A 88 1.571 -3.178 0.816 1.00 0.00 C ATOM 1320 SG CYS A 88 0.973 -2.420 -0.740 1.00 0.00 S ATOM 0 H CYS A 88 -0.895 -4.058 0.762 1.00 0.00 H new ATOM 0 HA CYS A 88 1.114 -3.487 2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.475 -2.659 1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.851 -4.212 0.616 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.135 -1.420 3.487 1.00 0.00 N ATOM 1326 CA GLN A 89 -0.654 -0.119 3.868 1.00 0.00 C ATOM 1327 C GLN A 89 0.494 0.872 4.072 1.00 0.00 C ATOM 1328 O GLN A 89 1.303 0.712 4.984 1.00 0.00 O ATOM 1329 CB GLN A 89 -1.522 -0.218 5.124 1.00 0.00 C ATOM 1330 CG GLN A 89 -2.035 1.158 5.547 1.00 0.00 C ATOM 1331 CD GLN A 89 -3.301 1.033 6.400 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -4.231 0.314 6.074 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -3.282 1.771 7.506 1.00 0.00 N ATOM 0 H GLN A 89 0.102 -2.030 4.269 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.286 0.247 3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.366 -0.882 4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.944 -0.660 5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.262 1.681 6.111 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.246 1.759 4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.470 2.351 7.718 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.079 1.757 8.142 1.00 0.00 H new ATOM 1342 N VAL A 90 0.528 1.876 3.207 1.00 0.00 N ATOM 1343 CA VAL A 90 1.565 2.893 3.281 1.00 0.00 C ATOM 1344 C VAL A 90 0.981 4.167 3.895 1.00 0.00 C ATOM 1345 O VAL A 90 -0.104 4.603 3.511 1.00 0.00 O ATOM 1346 CB VAL A 90 2.174 3.121 1.895 1.00 0.00 C ATOM 1347 CG1 VAL A 90 2.791 4.517 1.792 1.00 0.00 C ATOM 1348 CG2 VAL A 90 3.203 2.039 1.564 1.00 0.00 C ATOM 0 H VAL A 90 -0.145 2.007 2.452 1.00 0.00 H new ATOM 0 HA VAL A 90 2.378 2.564 3.928 1.00 0.00 H new ATOM 0 HB VAL A 90 1.372 3.055 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.217 4.654 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.021 5.269 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.576 4.624 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.620 2.224 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.003 2.059 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.720 1.062 1.577 1.00 0.00 H new ATOM 1358 N THR A 91 1.724 4.726 4.837 1.00 0.00 N ATOM 1359 CA THR A 91 1.294 5.940 5.509 1.00 0.00 C ATOM 1360 C THR A 91 2.140 7.130 5.052 1.00 0.00 C ATOM 1361 O THR A 91 3.209 6.950 4.470 1.00 0.00 O ATOM 1362 CB THR A 91 1.352 5.694 7.017 1.00 0.00 C ATOM 1363 OG1 THR A 91 0.093 5.100 7.322 1.00 0.00 O ATOM 1364 CG2 THR A 91 1.357 6.994 7.823 1.00 0.00 C ATOM 0 H THR A 91 2.623 4.360 5.152 1.00 0.00 H new ATOM 0 HA THR A 91 0.266 6.193 5.248 1.00 0.00 H new ATOM 0 HB THR A 91 2.245 5.116 7.256 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.047 4.906 8.281 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.399 6.762 8.887 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.227 7.590 7.547 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.449 7.558 7.610 1.00 0.00 H new ATOM 1372 N TYR A 92 1.632 8.319 5.335 1.00 0.00 N ATOM 1373 CA TYR A 92 2.329 9.539 4.963 1.00 0.00 C ATOM 1374 C TYR A 92 2.259 10.576 6.086 1.00 0.00 C ATOM 1375 O TYR A 92 1.300 10.599 6.856 1.00 0.00 O ATOM 1376 CB TYR A 92 1.596 10.085 3.735 1.00 0.00 C ATOM 1377 CG TYR A 92 1.557 9.115 2.553 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.913 7.899 2.679 1.00 0.00 C ATOM 1379 CD2 TYR A 92 2.163 9.453 1.359 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.874 6.985 1.567 1.00 0.00 C ATOM 1381 CE2 TYR A 92 2.124 8.540 0.248 1.00 0.00 C ATOM 1382 CZ TYR A 92 1.482 7.352 0.406 1.00 0.00 C ATOM 1383 OH TYR A 92 1.446 6.488 -0.645 1.00 0.00 O ATOM 0 H TYR A 92 0.745 8.465 5.818 1.00 0.00 H new ATOM 0 HA TYR A 92 3.381 9.335 4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.574 10.339 4.017 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.078 11.010 3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 92 0.439 7.634 3.612 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.666 10.403 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.374 6.031 1.652 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.594 8.793 -0.691 1.00 0.00 H new ATOM 0 HH TYR A 92 1.699 6.960 -1.465 1.00 0.00 H new ATOM 1393 N GLN A 93 3.289 11.410 6.143 1.00 0.00 N ATOM 1394 CA GLN A 93 3.355 12.446 7.160 1.00 0.00 C ATOM 1395 C GLN A 93 2.050 13.243 7.193 1.00 0.00 C ATOM 1396 O GLN A 93 1.731 13.876 8.197 1.00 0.00 O ATOM 1397 CB GLN A 93 4.554 13.367 6.923 1.00 0.00 C ATOM 1398 CG GLN A 93 4.564 13.897 5.490 1.00 0.00 C ATOM 1399 CD GLN A 93 5.432 15.153 5.374 1.00 0.00 C ATOM 1400 OE1 GLN A 93 6.544 15.216 5.870 1.00 0.00 O ATOM 1401 NE2 GLN A 93 4.863 16.143 4.694 1.00 0.00 N ATOM 0 H GLN A 93 4.083 11.389 5.502 1.00 0.00 H new ATOM 0 HA GLN A 93 3.489 11.968 8.131 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.519 14.202 7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.478 12.824 7.120 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.941 13.127 4.817 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.545 14.125 5.176 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.928 16.023 4.305 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.361 17.023 4.561 1.00 0.00 H new ATOM 1410 N GLY A 94 1.328 13.185 6.082 1.00 0.00 N ATOM 1411 CA GLY A 94 0.066 13.891 5.972 1.00 0.00 C ATOM 1412 C GLY A 94 -0.853 13.218 4.950 1.00 0.00 C ATOM 1413 O GLY A 94 -1.583 13.892 4.227 1.00 0.00 O ATOM 0 H GLY A 94 1.596 12.659 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.425 13.919 6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.248 14.924 5.677 1.00 0.00 H new ATOM 1417 N HIS A 95 -0.785 11.895 4.923 1.00 0.00 N ATOM 1418 CA HIS A 95 -1.600 11.121 4.001 1.00 0.00 C ATOM 1419 C HIS A 95 -1.585 9.649 4.412 1.00 0.00 C ATOM 1420 O HIS A 95 -0.841 9.260 5.311 1.00 0.00 O ATOM 1421 CB HIS A 95 -1.144 11.339 2.556 1.00 0.00 C ATOM 1422 CG HIS A 95 -2.254 11.238 1.539 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -2.321 10.225 0.600 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -3.341 12.035 1.324 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -3.401 10.412 -0.142 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -4.033 11.534 0.308 1.00 0.00 N ATOM 0 H HIS A 95 -0.178 11.339 5.525 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.633 11.464 4.050 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -0.681 12.323 2.477 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -0.376 10.605 2.314 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.595 12.922 1.885 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.725 9.786 -0.960 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.895 11.924 -0.073 1.00 0.00 H new ATOM 1434 N THR A 96 -2.413 8.869 3.735 1.00 0.00 N ATOM 1435 CA THR A 96 -2.504 7.447 4.018 1.00 0.00 C ATOM 1436 C THR A 96 -3.135 6.706 2.837 1.00 0.00 C ATOM 1437 O THR A 96 -3.886 7.293 2.061 1.00 0.00 O ATOM 1438 CB THR A 96 -3.277 7.273 5.326 1.00 0.00 C ATOM 1439 OG1 THR A 96 -3.183 5.879 5.604 1.00 0.00 O ATOM 1440 CG2 THR A 96 -4.777 7.521 5.159 1.00 0.00 C ATOM 0 H THR A 96 -3.028 9.195 2.990 1.00 0.00 H new ATOM 0 HA THR A 96 -1.515 7.007 4.147 1.00 0.00 H new ATOM 0 HB THR A 96 -2.878 7.957 6.075 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.657 5.679 6.438 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.277 7.384 6.118 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.940 8.539 4.807 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.184 6.816 4.434 1.00 0.00 H new ATOM 1448 N PHE A 97 -2.808 5.426 2.739 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.333 4.599 1.668 1.00 0.00 C ATOM 1450 C PHE A 97 -3.016 3.122 1.908 1.00 0.00 C ATOM 1451 O PHE A 97 -2.165 2.793 2.733 1.00 0.00 O ATOM 1452 CB PHE A 97 -2.648 5.052 0.376 1.00 0.00 C ATOM 1453 CG PHE A 97 -3.247 4.444 -0.894 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -2.960 3.160 -1.233 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -4.069 5.190 -1.683 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -3.519 2.594 -2.411 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -4.623 4.626 -2.860 1.00 0.00 C ATOM 1458 CZ PHE A 97 -4.338 3.340 -3.200 1.00 0.00 C ATOM 0 H PHE A 97 -2.185 4.942 3.385 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.416 4.706 1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -2.706 6.138 0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.591 4.792 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.307 2.569 -0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.299 6.210 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.294 1.572 -2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.272 5.218 -3.488 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.762 2.912 -4.096 1.00 0.00 H new ATOM 1468 N GLU A 98 -3.716 2.272 1.171 1.00 0.00 N ATOM 1469 CA GLU A 98 -3.520 0.838 1.293 1.00 0.00 C ATOM 1470 C GLU A 98 -3.859 0.140 -0.024 1.00 0.00 C ATOM 1471 O GLU A 98 -4.891 0.421 -0.631 1.00 0.00 O ATOM 1472 CB GLU A 98 -4.350 0.267 2.446 1.00 0.00 C ATOM 1473 CG GLU A 98 -3.839 -1.116 2.858 1.00 0.00 C ATOM 1474 CD GLU A 98 -4.515 -1.587 4.147 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -3.950 -2.416 4.877 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -5.669 -1.062 4.381 1.00 0.00 O ATOM 0 H GLU A 98 -4.420 2.549 0.487 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.470 0.654 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.307 0.944 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.396 0.198 2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.032 -1.832 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.759 -1.081 3.001 1.00 0.00 H new ATOM 1484 N ASP A 99 -2.970 -0.756 -0.429 1.00 0.00 N ATOM 1485 CA ASP A 99 -3.163 -1.496 -1.665 1.00 0.00 C ATOM 1486 C ASP A 99 -2.540 -2.886 -1.524 1.00 0.00 C ATOM 1487 O ASP A 99 -1.359 -3.010 -1.197 1.00 0.00 O ATOM 1488 CB ASP A 99 -2.485 -0.788 -2.842 1.00 0.00 C ATOM 1489 CG ASP A 99 -3.422 -0.387 -3.980 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -2.981 0.138 -5.015 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -4.672 -0.635 -3.773 1.00 0.00 O ATOM 0 H ASP A 99 -2.115 -0.986 0.077 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.234 -1.564 -1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.986 0.107 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.710 -1.442 -3.242 1.00 0.00 H new ATOM 1497 N SER A 100 -3.359 -3.896 -1.779 1.00 0.00 N ATOM 1498 CA SER A 100 -2.903 -5.271 -1.684 1.00 0.00 C ATOM 1499 C SER A 100 -3.929 -6.209 -2.321 1.00 0.00 C ATOM 1500 O SER A 100 -4.702 -5.796 -3.184 1.00 0.00 O ATOM 1501 CB SER A 100 -2.649 -5.670 -0.230 1.00 0.00 C ATOM 1502 OG SER A 100 -1.534 -6.547 -0.103 1.00 0.00 O ATOM 0 H SER A 100 -4.336 -3.789 -2.051 1.00 0.00 H new ATOM 0 HA SER A 100 -1.960 -5.355 -2.224 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.475 -4.774 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.538 -6.154 0.174 1.00 0.00 H new ATOM 0 HG SER A 100 -1.827 -7.471 -0.244 1.00 0.00 H new ATOM 1508 N THR A 101 -3.907 -7.455 -1.871 1.00 0.00 N ATOM 1509 CA THR A 101 -4.827 -8.454 -2.385 1.00 0.00 C ATOM 1510 C THR A 101 -5.275 -9.394 -1.265 1.00 0.00 C ATOM 1511 O THR A 101 -4.774 -9.313 -0.144 1.00 0.00 O ATOM 1512 CB THR A 101 -4.141 -9.176 -3.548 1.00 0.00 C ATOM 1513 OG1 THR A 101 -5.058 -10.207 -3.904 1.00 0.00 O ATOM 1514 CG2 THR A 101 -2.884 -9.929 -3.108 1.00 0.00 C ATOM 0 H THR A 101 -3.265 -7.795 -1.155 1.00 0.00 H new ATOM 0 HA THR A 101 -5.740 -7.993 -2.763 1.00 0.00 H new ATOM 0 HB THR A 101 -3.879 -8.454 -4.322 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.694 -10.724 -4.652 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.436 -10.423 -3.970 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.169 -9.226 -2.681 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.150 -10.675 -2.359 1.00 0.00 H new ATOM 1522 N LYS A 102 -6.213 -10.265 -1.605 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.733 -11.220 -0.642 1.00 0.00 C ATOM 1524 C LYS A 102 -7.093 -12.521 -1.363 1.00 0.00 C ATOM 1525 O LYS A 102 -7.937 -12.528 -2.255 1.00 0.00 O ATOM 1526 CB LYS A 102 -7.897 -10.611 0.142 1.00 0.00 C ATOM 1527 CG LYS A 102 -9.041 -10.215 -0.794 1.00 0.00 C ATOM 1528 CD LYS A 102 -9.550 -8.808 -0.476 1.00 0.00 C ATOM 1529 CE LYS A 102 -8.836 -7.760 -1.334 1.00 0.00 C ATOM 1530 NZ LYS A 102 -9.810 -6.796 -1.889 1.00 0.00 N ATOM 0 H LYS A 102 -6.627 -10.329 -2.535 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.972 -11.465 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -8.258 -11.328 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.552 -9.735 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.700 -10.257 -1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.858 -10.931 -0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.624 -8.757 -0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.390 -8.589 0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.095 -7.233 -0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -8.298 -8.250 -2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.310 -6.092 -2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.501 -7.302 -2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.305 -6.315 -1.111 1.00 0.00 H new ATOM 1544 N LYS A 103 -6.428 -13.593 -0.948 1.00 0.00 N ATOM 1545 CA LYS A 103 -6.666 -14.896 -1.543 1.00 0.00 C ATOM 1546 C LYS A 103 -6.024 -15.975 -0.670 1.00 0.00 C ATOM 1547 O LYS A 103 -6.416 -16.159 0.481 1.00 0.00 O ATOM 1548 CB LYS A 103 -6.188 -14.917 -2.996 1.00 0.00 C ATOM 1549 CG LYS A 103 -7.201 -15.628 -3.896 1.00 0.00 C ATOM 1550 CD LYS A 103 -7.705 -16.916 -3.243 1.00 0.00 C ATOM 1551 CE LYS A 103 -9.151 -17.208 -3.650 1.00 0.00 C ATOM 1552 NZ LYS A 103 -9.958 -17.584 -2.466 1.00 0.00 N ATOM 0 H LYS A 103 -5.726 -13.583 -0.208 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.735 -15.108 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.037 -13.896 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.224 -15.422 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.042 -14.965 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.740 -15.859 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.066 -17.750 -3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.639 -16.828 -2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.584 -16.330 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.173 -18.014 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.397 -18.513 -2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.344 -17.631 -1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.700 -16.872 -2.311 1.00 0.00 H new ATOM 1566 N SER A 104 -5.050 -16.658 -1.249 1.00 0.00 N ATOM 1567 CA SER A 104 -4.349 -17.715 -0.538 1.00 0.00 C ATOM 1568 C SER A 104 -5.298 -18.885 -0.271 1.00 0.00 C ATOM 1569 O SER A 104 -5.026 -19.729 0.581 1.00 0.00 O ATOM 1570 CB SER A 104 -3.762 -17.197 0.777 1.00 0.00 C ATOM 1571 OG SER A 104 -3.624 -18.235 1.744 1.00 0.00 O ATOM 0 H SER A 104 -4.728 -16.501 -2.204 1.00 0.00 H new ATOM 0 HA SER A 104 -3.525 -18.060 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.788 -16.746 0.587 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.404 -16.412 1.177 1.00 0.00 H new ATOM 0 HG SER A 104 -3.758 -19.104 1.312 1.00 0.00 H new ATOM 1577 N ALA A 105 -6.394 -18.898 -1.017 1.00 0.00 N ATOM 1578 CA ALA A 105 -7.385 -19.950 -0.871 1.00 0.00 C ATOM 1579 C ALA A 105 -8.317 -19.938 -2.086 1.00 0.00 C ATOM 1580 O ALA A 105 -8.794 -20.987 -2.517 1.00 0.00 O ATOM 1581 CB ALA A 105 -8.140 -19.763 0.445 1.00 0.00 C ATOM 0 H ALA A 105 -6.617 -18.197 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.904 -20.927 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -8.883 -20.553 0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.438 -19.809 1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.638 -18.794 0.444 1.00 0.00 H new TER 1588 ALA A 105