USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 3 LYS NZ :NH3+ -116:sc=0.000475 (180deg=-0.575) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 40:sc= 0.556 USER MOD Single : A 12 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.47) USER MOD Single : A 16 THR OG1 : rot -160:sc= -0.856 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.028) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.025) USER MOD Single : A 30 SER OG : rot -160:sc= -0.795 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.616 F(o=-1.1,f=-0.62) USER MOD Single : A 34 HIS : no HE2:sc= -2.08! C(o=-2.1!,f=-4.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.68 K(o=-1.7,f=-6!) USER MOD Single : A 39 TYR OH : rot 15:sc= -1.07 USER MOD Single : A 41 LYS NZ :NH3+ 152:sc= -0.35 (180deg=-1.53) USER MOD Single : A 44 SER OG : rot -150:sc=-0.00709 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -93:sc= -0.0391 USER MOD Single : A 51 HIS : +bothHN:sc= -1.52! C(o=-1.5!,f=-8.3!) USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.13) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0485) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -164:sc= -0.034 (180deg=-0.423) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.396 -16.328 8.940 1.00 28.77 N ATOM 2 CA MET A 1 26.357 -16.931 9.821 1.00 28.60 C ATOM 3 C MET A 1 25.222 -15.927 10.035 1.00 27.36 C ATOM 4 O MET A 1 25.274 -15.101 10.926 1.00 26.74 O ATOM 5 CB MET A 1 26.980 -17.291 11.172 1.00 28.92 C ATOM 6 CG MET A 1 27.477 -18.738 11.135 1.00 30.16 C ATOM 7 SD MET A 1 28.707 -18.987 12.439 1.00 30.62 S ATOM 8 CE MET A 1 27.566 -19.560 13.722 1.00 30.81 C ATOM 0 H1 MET A 1 28.167 -17.011 8.795 1.00 28.77 H new ATOM 0 H2 MET A 1 26.973 -16.083 8.022 1.00 28.77 H new ATOM 0 H3 MET A 1 27.774 -15.469 9.387 1.00 28.77 H new ATOM 0 HA MET A 1 25.961 -17.831 9.351 1.00 28.60 H new ATOM 0 HB2 MET A 1 27.807 -16.617 11.394 1.00 28.92 H new ATOM 0 HB3 MET A 1 26.245 -17.168 11.968 1.00 28.92 H new ATOM 0 HG2 MET A 1 26.641 -19.424 11.273 1.00 30.16 H new ATOM 0 HG3 MET A 1 27.914 -18.959 10.161 1.00 30.16 H new ATOM 0 HE1 MET A 1 28.123 -19.776 14.634 1.00 30.81 H new ATOM 0 HE2 MET A 1 26.826 -18.785 13.924 1.00 30.81 H new ATOM 0 HE3 MET A 1 27.061 -20.464 13.382 1.00 30.81 H new ATOM 20 N SER A 2 24.197 -15.993 9.222 1.00 27.15 N ATOM 21 CA SER A 2 23.048 -15.047 9.366 1.00 26.11 C ATOM 22 C SER A 2 23.541 -13.606 9.198 1.00 25.04 C ATOM 23 O SER A 2 24.683 -13.369 8.855 1.00 25.16 O ATOM 24 CB SER A 2 22.413 -15.212 10.748 1.00 25.99 C ATOM 25 OG SER A 2 22.467 -16.580 11.129 1.00 27.07 O ATOM 0 H SER A 2 24.107 -16.666 8.460 1.00 27.15 H new ATOM 0 HA SER A 2 22.305 -15.267 8.599 1.00 26.11 H new ATOM 0 HB2 SER A 2 22.940 -14.598 11.479 1.00 25.99 H new ATOM 0 HB3 SER A 2 21.379 -14.868 10.729 1.00 25.99 H new ATOM 0 HG SER A 2 22.062 -16.689 12.015 1.00 27.07 H new ATOM 31 N LYS A 3 22.684 -12.646 9.440 1.00 24.16 N ATOM 32 CA LYS A 3 23.091 -11.217 9.298 1.00 23.28 C ATOM 33 C LYS A 3 23.616 -10.701 10.639 1.00 22.25 C ATOM 34 O LYS A 3 23.251 -11.196 11.689 1.00 22.22 O ATOM 35 CB LYS A 3 21.883 -10.384 8.867 1.00 23.02 C ATOM 36 CG LYS A 3 22.351 -9.227 7.982 1.00 23.22 C ATOM 37 CD LYS A 3 21.146 -8.380 7.568 1.00 23.31 C ATOM 38 CE LYS A 3 21.623 -7.002 7.105 1.00 23.53 C ATOM 39 NZ LYS A 3 22.045 -6.199 8.287 1.00 23.30 N ATOM 0 H LYS A 3 21.717 -12.792 9.731 1.00 24.16 H new ATOM 0 HA LYS A 3 23.875 -11.135 8.546 1.00 23.28 H new ATOM 0 HB2 LYS A 3 21.173 -11.008 8.324 1.00 23.02 H new ATOM 0 HB3 LYS A 3 21.363 -9.998 9.743 1.00 23.02 H new ATOM 0 HG2 LYS A 3 23.073 -8.613 8.520 1.00 23.22 H new ATOM 0 HG3 LYS A 3 22.858 -9.614 7.098 1.00 23.22 H new ATOM 0 HD2 LYS A 3 20.599 -8.875 6.766 1.00 23.31 H new ATOM 0 HD3 LYS A 3 20.457 -8.275 8.406 1.00 23.31 H new ATOM 0 HE2 LYS A 3 22.455 -7.108 6.409 1.00 23.53 H new ATOM 0 HE3 LYS A 3 20.823 -6.489 6.570 1.00 23.53 H new ATOM 0 HZ1 LYS A 3 21.422 -5.372 8.385 1.00 23.30 H new ATOM 0 HZ2 LYS A 3 21.982 -6.784 9.145 1.00 23.30 H new ATOM 0 HZ3 LYS A 3 23.026 -5.880 8.157 1.00 23.30 H new ATOM 53 N ARG A 4 24.469 -9.710 10.609 1.00 21.60 N ATOM 54 CA ARG A 4 25.023 -9.153 11.877 1.00 20.82 C ATOM 55 C ARG A 4 24.040 -8.136 12.461 1.00 19.34 C ATOM 56 O ARG A 4 23.126 -7.691 11.792 1.00 18.93 O ATOM 57 CB ARG A 4 26.360 -8.463 11.591 1.00 21.06 C ATOM 58 CG ARG A 4 27.457 -9.519 11.442 1.00 22.45 C ATOM 59 CD ARG A 4 28.490 -9.041 10.420 1.00 23.06 C ATOM 60 NE ARG A 4 29.242 -10.218 9.883 1.00 24.20 N ATOM 61 CZ ARG A 4 29.982 -10.122 8.796 1.00 25.01 C ATOM 62 NH1 ARG A 4 30.091 -8.994 8.134 1.00 24.91 N ATOM 63 NH2 ARG A 4 30.622 -11.176 8.368 1.00 26.12 N ATOM 0 H ARG A 4 24.806 -9.262 9.757 1.00 21.60 H new ATOM 0 HA ARG A 4 25.177 -9.962 12.591 1.00 20.82 H new ATOM 0 HB2 ARG A 4 26.287 -7.868 10.681 1.00 21.06 H new ATOM 0 HB3 ARG A 4 26.608 -7.777 12.401 1.00 21.06 H new ATOM 0 HG2 ARG A 4 27.937 -9.698 12.404 1.00 22.45 H new ATOM 0 HG3 ARG A 4 27.024 -10.466 11.121 1.00 22.45 H new ATOM 0 HD2 ARG A 4 27.994 -8.511 9.607 1.00 23.06 H new ATOM 0 HD3 ARG A 4 29.180 -8.337 10.886 1.00 23.06 H new ATOM 0 HE ARG A 4 29.181 -11.113 10.368 1.00 24.20 H new ATOM 0 HH11 ARG A 4 29.596 -8.163 8.458 1.00 24.91 H new ATOM 0 HH12 ARG A 4 30.671 -8.948 7.296 1.00 24.91 H new ATOM 0 HH21 ARG A 4 30.546 -12.059 8.873 1.00 26.12 H new ATOM 0 HH22 ARG A 4 31.198 -11.117 7.528 1.00 26.12 H new ATOM 77 N LYS A 5 24.222 -7.768 13.704 1.00 18.75 N ATOM 78 CA LYS A 5 23.303 -6.781 14.341 1.00 17.49 C ATOM 79 C LYS A 5 23.989 -5.415 14.409 1.00 16.44 C ATOM 80 O LYS A 5 24.641 -5.088 15.384 1.00 16.69 O ATOM 81 CB LYS A 5 22.955 -7.247 15.756 1.00 17.78 C ATOM 82 CG LYS A 5 21.908 -8.362 15.684 1.00 18.38 C ATOM 83 CD LYS A 5 21.284 -8.567 17.065 1.00 19.01 C ATOM 84 CE LYS A 5 22.090 -9.612 17.840 1.00 20.12 C ATOM 85 NZ LYS A 5 21.286 -10.103 18.995 1.00 20.75 N ATOM 0 H LYS A 5 24.971 -8.111 14.306 1.00 18.75 H new ATOM 0 HA LYS A 5 22.391 -6.701 13.750 1.00 17.49 H new ATOM 0 HB2 LYS A 5 23.851 -7.607 16.262 1.00 17.78 H new ATOM 0 HB3 LYS A 5 22.572 -6.411 16.342 1.00 17.78 H new ATOM 0 HG2 LYS A 5 21.136 -8.104 14.959 1.00 18.38 H new ATOM 0 HG3 LYS A 5 22.370 -9.288 15.341 1.00 18.38 H new ATOM 0 HD2 LYS A 5 21.269 -7.625 17.612 1.00 19.01 H new ATOM 0 HD3 LYS A 5 20.249 -8.893 16.963 1.00 19.01 H new ATOM 0 HE2 LYS A 5 22.352 -10.444 17.186 1.00 20.12 H new ATOM 0 HE3 LYS A 5 23.025 -9.177 18.193 1.00 20.12 H new ATOM 0 HZ1 LYS A 5 21.833 -10.813 19.522 1.00 20.75 H new ATOM 0 HZ2 LYS A 5 21.058 -9.306 19.623 1.00 20.75 H new ATOM 0 HZ3 LYS A 5 20.405 -10.533 18.647 1.00 20.75 H new ATOM 99 N ALA A 6 23.845 -4.618 13.381 1.00 15.59 N ATOM 100 CA ALA A 6 24.485 -3.271 13.376 1.00 14.90 C ATOM 101 C ALA A 6 23.556 -2.259 14.072 1.00 13.63 C ATOM 102 O ALA A 6 22.385 -2.533 14.241 1.00 13.08 O ATOM 103 CB ALA A 6 24.730 -2.828 11.933 1.00 14.89 C ATOM 0 H ALA A 6 23.310 -4.844 12.543 1.00 15.59 H new ATOM 0 HA ALA A 6 25.435 -3.319 13.908 1.00 14.90 H new ATOM 0 HB1 ALA A 6 25.198 -1.843 11.929 1.00 14.89 H new ATOM 0 HB2 ALA A 6 25.387 -3.544 11.439 1.00 14.89 H new ATOM 0 HB3 ALA A 6 23.780 -2.780 11.401 1.00 14.89 H new ATOM 109 N PRO A 7 24.093 -1.114 14.461 1.00 13.54 N ATOM 110 CA PRO A 7 23.289 -0.078 15.136 1.00 12.74 C ATOM 111 C PRO A 7 22.148 0.384 14.223 1.00 11.54 C ATOM 112 O PRO A 7 20.998 0.414 14.620 1.00 10.83 O ATOM 113 CB PRO A 7 24.268 1.073 15.409 1.00 13.47 C ATOM 114 CG PRO A 7 25.659 0.649 14.872 1.00 14.64 C ATOM 115 CD PRO A 7 25.518 -0.756 14.266 1.00 14.65 C ATOM 0 HA PRO A 7 22.829 -0.444 16.054 1.00 12.74 H new ATOM 0 HB2 PRO A 7 23.931 1.986 14.918 1.00 13.47 H new ATOM 0 HB3 PRO A 7 24.319 1.286 16.477 1.00 13.47 H new ATOM 0 HG2 PRO A 7 26.010 1.356 14.121 1.00 14.64 H new ATOM 0 HG3 PRO A 7 26.395 0.646 15.676 1.00 14.64 H new ATOM 0 HD2 PRO A 7 25.785 -0.759 13.209 1.00 14.65 H new ATOM 0 HD3 PRO A 7 26.176 -1.469 14.763 1.00 14.65 H new ATOM 123 N GLN A 8 22.462 0.744 13.005 1.00 11.68 N ATOM 124 CA GLN A 8 21.404 1.207 12.058 1.00 10.95 C ATOM 125 C GLN A 8 20.850 0.009 11.284 1.00 10.44 C ATOM 126 O GLN A 8 21.522 -0.563 10.446 1.00 11.14 O ATOM 127 CB GLN A 8 22.004 2.215 11.076 1.00 11.87 C ATOM 128 CG GLN A 8 20.936 3.234 10.673 1.00 11.75 C ATOM 129 CD GLN A 8 21.448 4.072 9.500 1.00 12.79 C ATOM 130 OE1 GLN A 8 21.301 3.691 8.356 1.00 13.30 O ATOM 131 NE2 GLN A 8 22.045 5.208 9.738 1.00 13.46 N ATOM 0 H GLN A 8 23.408 0.737 12.625 1.00 11.68 H new ATOM 0 HA GLN A 8 20.598 1.681 12.619 1.00 10.95 H new ATOM 0 HB2 GLN A 8 22.852 2.724 11.534 1.00 11.87 H new ATOM 0 HB3 GLN A 8 22.380 1.699 10.193 1.00 11.87 H new ATOM 0 HG2 GLN A 8 20.016 2.721 10.393 1.00 11.75 H new ATOM 0 HG3 GLN A 8 20.697 3.880 11.518 1.00 11.75 H new ATOM 0 HE21 GLN A 8 22.168 5.528 10.699 1.00 13.46 H new ATOM 0 HE22 GLN A 8 22.388 5.776 8.963 1.00 13.46 H new ATOM 140 N GLU A 9 19.627 -0.371 11.557 1.00 9.57 N ATOM 141 CA GLU A 9 19.019 -1.530 10.839 1.00 9.42 C ATOM 142 C GLU A 9 17.615 -1.156 10.358 1.00 8.39 C ATOM 143 O GLU A 9 16.751 -2.002 10.233 1.00 8.34 O ATOM 144 CB GLU A 9 18.932 -2.728 11.786 1.00 9.86 C ATOM 145 CG GLU A 9 20.301 -3.404 11.883 1.00 11.13 C ATOM 146 CD GLU A 9 20.579 -4.182 10.595 1.00 12.35 C ATOM 147 OE1 GLU A 9 19.683 -4.872 10.137 1.00 12.54 O ATOM 148 OE2 GLU A 9 21.683 -4.073 10.087 1.00 13.39 O ATOM 0 H GLU A 9 19.023 0.073 12.248 1.00 9.57 H new ATOM 0 HA GLU A 9 19.638 -1.790 9.980 1.00 9.42 H new ATOM 0 HB2 GLU A 9 18.605 -2.401 12.773 1.00 9.86 H new ATOM 0 HB3 GLU A 9 18.189 -3.438 11.423 1.00 9.86 H new ATOM 0 HG2 GLU A 9 21.077 -2.656 12.043 1.00 11.13 H new ATOM 0 HG3 GLU A 9 20.326 -4.077 12.740 1.00 11.13 H new ATOM 155 N THR A 10 17.384 0.110 10.089 1.00 8.02 N ATOM 156 CA THR A 10 16.040 0.576 9.608 1.00 7.37 C ATOM 157 C THR A 10 14.913 -0.011 10.472 1.00 5.74 C ATOM 158 O THR A 10 14.398 -1.077 10.192 1.00 5.70 O ATOM 159 CB THR A 10 15.837 0.159 8.146 1.00 8.56 C ATOM 160 OG1 THR A 10 16.286 -1.176 7.960 1.00 9.04 O ATOM 161 CG2 THR A 10 16.632 1.095 7.235 1.00 9.94 C ATOM 0 H THR A 10 18.079 0.850 10.184 1.00 8.02 H new ATOM 0 HA THR A 10 16.007 1.663 9.688 1.00 7.37 H new ATOM 0 HB THR A 10 14.777 0.220 7.898 1.00 8.56 H new ATOM 0 HG1 THR A 10 16.031 -1.718 8.736 1.00 9.04 H new ATOM 0 HG21 THR A 10 16.489 0.800 6.196 1.00 9.94 H new ATOM 0 HG22 THR A 10 16.284 2.119 7.373 1.00 9.94 H new ATOM 0 HG23 THR A 10 17.691 1.035 7.486 1.00 9.94 H new ATOM 169 N LEU A 11 14.530 0.683 11.513 1.00 5.16 N ATOM 170 CA LEU A 11 13.437 0.178 12.396 1.00 4.40 C ATOM 171 C LEU A 11 12.084 0.585 11.811 1.00 3.60 C ATOM 172 O LEU A 11 11.186 -0.225 11.678 1.00 3.61 O ATOM 173 CB LEU A 11 13.589 0.783 13.794 1.00 5.51 C ATOM 174 CG LEU A 11 14.846 0.224 14.460 1.00 6.63 C ATOM 175 CD1 LEU A 11 15.326 1.196 15.539 1.00 7.91 C ATOM 176 CD2 LEU A 11 14.525 -1.128 15.101 1.00 7.40 C ATOM 0 H LEU A 11 14.929 1.580 11.790 1.00 5.16 H new ATOM 0 HA LEU A 11 13.495 -0.908 12.462 1.00 4.40 H new ATOM 0 HB2 LEU A 11 13.653 1.869 13.726 1.00 5.51 H new ATOM 0 HB3 LEU A 11 12.712 0.553 14.398 1.00 5.51 H new ATOM 0 HG LEU A 11 15.627 0.096 13.711 1.00 6.63 H new ATOM 0 HD11 LEU A 11 16.222 0.798 16.014 1.00 7.91 H new ATOM 0 HD12 LEU A 11 15.554 2.160 15.085 1.00 7.91 H new ATOM 0 HD13 LEU A 11 14.544 1.323 16.288 1.00 7.91 H new ATOM 0 HD21 LEU A 11 15.421 -1.527 15.576 1.00 7.40 H new ATOM 0 HD22 LEU A 11 13.744 -0.999 15.850 1.00 7.40 H new ATOM 0 HD23 LEU A 11 14.181 -1.822 14.334 1.00 7.40 H new ATOM 188 N ASN A 12 11.937 1.836 11.462 1.00 3.59 N ATOM 189 CA ASN A 12 10.645 2.314 10.883 1.00 3.44 C ATOM 190 C ASN A 12 10.690 2.187 9.360 1.00 2.85 C ATOM 191 O ASN A 12 11.737 1.972 8.778 1.00 3.07 O ATOM 192 CB ASN A 12 10.421 3.780 11.263 1.00 4.57 C ATOM 193 CG ASN A 12 11.647 4.608 10.876 1.00 5.95 C ATOM 194 OD1 ASN A 12 11.771 5.042 9.749 1.00 6.79 O ATOM 195 ND2 ASN A 12 12.566 4.846 11.772 1.00 6.91 N ATOM 0 H ASN A 12 12.659 2.551 11.553 1.00 3.59 H new ATOM 0 HA ASN A 12 9.829 1.708 11.277 1.00 3.44 H new ATOM 0 HB2 ASN A 12 9.536 4.165 10.757 1.00 4.57 H new ATOM 0 HB3 ASN A 12 10.237 3.864 12.334 1.00 4.57 H new ATOM 0 HD21 ASN A 12 13.388 5.397 11.525 1.00 6.91 H new ATOM 0 HD22 ASN A 12 12.462 4.481 12.719 1.00 6.91 H new ATOM 202 N GLY A 13 9.561 2.327 8.710 1.00 2.37 N ATOM 203 CA GLY A 13 9.530 2.226 7.222 1.00 2.19 C ATOM 204 C GLY A 13 9.260 0.780 6.800 1.00 1.95 C ATOM 205 O GLY A 13 9.076 -0.095 7.625 1.00 2.39 O ATOM 0 H GLY A 13 8.658 2.507 9.149 1.00 2.37 H new ATOM 0 HA2 GLY A 13 8.756 2.881 6.821 1.00 2.19 H new ATOM 0 HA3 GLY A 13 10.480 2.563 6.807 1.00 2.19 H new ATOM 209 N GLY A 14 9.235 0.528 5.514 1.00 1.95 N ATOM 210 CA GLY A 14 8.976 -0.856 5.017 1.00 1.80 C ATOM 211 C GLY A 14 7.538 -0.957 4.502 1.00 1.60 C ATOM 212 O GLY A 14 6.933 -2.014 4.531 1.00 1.82 O ATOM 0 H GLY A 14 9.384 1.226 4.785 1.00 1.95 H new ATOM 0 HA2 GLY A 14 9.677 -1.104 4.220 1.00 1.80 H new ATOM 0 HA3 GLY A 14 9.137 -1.577 5.818 1.00 1.80 H new ATOM 216 N ILE A 15 6.985 0.135 4.039 1.00 1.32 N ATOM 217 CA ILE A 15 5.581 0.115 3.525 1.00 1.16 C ATOM 218 C ILE A 15 5.567 -0.182 2.032 1.00 0.95 C ATOM 219 O ILE A 15 4.948 -1.124 1.574 1.00 1.10 O ATOM 220 CB ILE A 15 4.942 1.487 3.704 1.00 0.98 C ATOM 221 CG1 ILE A 15 5.145 1.998 5.131 1.00 1.33 C ATOM 222 CG2 ILE A 15 3.445 1.390 3.402 1.00 0.96 C ATOM 223 CD1 ILE A 15 4.319 3.273 5.319 1.00 1.24 C ATOM 0 H ILE A 15 7.447 1.043 3.994 1.00 1.32 H new ATOM 0 HA ILE A 15 5.037 -0.650 4.078 1.00 1.16 H new ATOM 0 HB ILE A 15 5.416 2.187 3.016 1.00 0.98 H new ATOM 0 HG12 ILE A 15 4.838 1.239 5.851 1.00 1.33 H new ATOM 0 HG13 ILE A 15 6.200 2.201 5.313 1.00 1.33 H new ATOM 0 HG21 ILE A 15 2.984 2.370 3.529 1.00 0.96 H new ATOM 0 HG22 ILE A 15 3.302 1.052 2.376 1.00 0.96 H new ATOM 0 HG23 ILE A 15 2.981 0.679 4.086 1.00 0.96 H new ATOM 0 HD11 ILE A 15 4.455 3.648 6.333 1.00 1.24 H new ATOM 0 HD12 ILE A 15 4.648 4.028 4.606 1.00 1.24 H new ATOM 0 HD13 ILE A 15 3.265 3.052 5.152 1.00 1.24 H new ATOM 235 N THR A 16 6.208 0.662 1.268 1.00 0.76 N ATOM 236 CA THR A 16 6.207 0.502 -0.208 1.00 0.73 C ATOM 237 C THR A 16 6.854 -0.827 -0.640 1.00 0.82 C ATOM 238 O THR A 16 6.785 -1.194 -1.795 1.00 0.89 O ATOM 239 CB THR A 16 6.970 1.664 -0.848 1.00 0.74 C ATOM 240 OG1 THR A 16 7.094 1.437 -2.244 1.00 0.90 O ATOM 241 CG2 THR A 16 8.359 1.773 -0.223 1.00 0.85 C ATOM 0 H THR A 16 6.737 1.463 1.612 1.00 0.76 H new ATOM 0 HA THR A 16 5.169 0.497 -0.541 1.00 0.73 H new ATOM 0 HB THR A 16 6.424 2.592 -0.677 1.00 0.74 H new ATOM 0 HG1 THR A 16 7.827 1.982 -2.600 1.00 0.90 H new ATOM 0 HG21 THR A 16 8.900 2.601 -0.681 1.00 0.85 H new ATOM 0 HG22 THR A 16 8.263 1.950 0.848 1.00 0.85 H new ATOM 0 HG23 THR A 16 8.907 0.846 -0.390 1.00 0.85 H new ATOM 249 N ASP A 17 7.494 -1.544 0.256 1.00 0.88 N ATOM 250 CA ASP A 17 8.140 -2.834 -0.139 1.00 0.99 C ATOM 251 C ASP A 17 7.068 -3.902 -0.404 1.00 0.86 C ATOM 252 O ASP A 17 6.979 -4.445 -1.488 1.00 0.82 O ATOM 253 CB ASP A 17 9.061 -3.308 0.988 1.00 1.17 C ATOM 254 CG ASP A 17 9.849 -4.534 0.522 1.00 2.49 C ATOM 255 OD1 ASP A 17 10.382 -4.489 -0.574 1.00 2.80 O ATOM 256 OD2 ASP A 17 9.906 -5.497 1.269 1.00 4.04 O ATOM 0 H ASP A 17 7.595 -1.291 1.239 1.00 0.88 H new ATOM 0 HA ASP A 17 8.720 -2.677 -1.048 1.00 0.99 H new ATOM 0 HB2 ASP A 17 9.746 -2.509 1.273 1.00 1.17 H new ATOM 0 HB3 ASP A 17 8.474 -3.555 1.872 1.00 1.17 H new ATOM 261 N MET A 18 6.267 -4.214 0.584 1.00 0.86 N ATOM 262 CA MET A 18 5.209 -5.258 0.404 1.00 0.79 C ATOM 263 C MET A 18 4.017 -4.697 -0.387 1.00 0.73 C ATOM 264 O MET A 18 3.235 -5.445 -0.949 1.00 0.68 O ATOM 265 CB MET A 18 4.725 -5.725 1.779 1.00 0.92 C ATOM 266 CG MET A 18 4.281 -7.187 1.695 1.00 1.89 C ATOM 267 SD MET A 18 5.738 -8.255 1.577 1.00 2.53 S ATOM 268 CE MET A 18 5.267 -9.426 2.873 1.00 2.51 C ATOM 0 H MET A 18 6.300 -3.790 1.511 1.00 0.86 H new ATOM 0 HA MET A 18 5.634 -6.094 -0.152 1.00 0.79 H new ATOM 0 HB2 MET A 18 5.524 -5.618 2.513 1.00 0.92 H new ATOM 0 HB3 MET A 18 3.897 -5.101 2.116 1.00 0.92 H new ATOM 0 HG2 MET A 18 3.694 -7.451 2.575 1.00 1.89 H new ATOM 0 HG3 MET A 18 3.638 -7.334 0.827 1.00 1.89 H new ATOM 0 HE1 MET A 18 6.040 -10.188 2.973 1.00 2.51 H new ATOM 0 HE2 MET A 18 5.155 -8.896 3.819 1.00 2.51 H new ATOM 0 HE3 MET A 18 4.322 -9.900 2.609 1.00 2.51 H new ATOM 278 N LEU A 19 3.880 -3.395 -0.452 1.00 0.81 N ATOM 279 CA LEU A 19 2.750 -2.797 -1.216 1.00 0.87 C ATOM 280 C LEU A 19 3.106 -2.901 -2.692 1.00 0.84 C ATOM 281 O LEU A 19 2.359 -3.421 -3.505 1.00 0.89 O ATOM 282 CB LEU A 19 2.593 -1.323 -0.797 1.00 1.03 C ATOM 283 CG LEU A 19 1.233 -0.746 -1.233 1.00 0.68 C ATOM 284 CD1 LEU A 19 1.180 -0.626 -2.756 1.00 2.55 C ATOM 285 CD2 LEU A 19 0.081 -1.637 -0.744 1.00 1.81 C ATOM 0 H LEU A 19 4.505 -2.723 -0.007 1.00 0.81 H new ATOM 0 HA LEU A 19 1.809 -3.311 -1.021 1.00 0.87 H new ATOM 0 HB2 LEU A 19 2.693 -1.240 0.285 1.00 1.03 H new ATOM 0 HB3 LEU A 19 3.396 -0.732 -1.237 1.00 1.03 H new ATOM 0 HG LEU A 19 1.122 0.243 -0.787 1.00 0.68 H new ATOM 0 HD11 LEU A 19 0.215 -0.217 -3.055 1.00 2.55 H new ATOM 0 HD12 LEU A 19 1.976 0.036 -3.097 1.00 2.55 H new ATOM 0 HD13 LEU A 19 1.311 -1.611 -3.203 1.00 2.55 H new ATOM 0 HD21 LEU A 19 -0.870 -1.210 -1.063 1.00 1.81 H new ATOM 0 HD22 LEU A 19 0.190 -2.636 -1.165 1.00 1.81 H new ATOM 0 HD23 LEU A 19 0.104 -1.697 0.344 1.00 1.81 H new ATOM 297 N VAL A 20 4.274 -2.436 -3.022 1.00 0.80 N ATOM 298 CA VAL A 20 4.757 -2.514 -4.419 1.00 0.83 C ATOM 299 C VAL A 20 4.956 -3.993 -4.803 1.00 0.78 C ATOM 300 O VAL A 20 5.071 -4.318 -5.967 1.00 0.81 O ATOM 301 CB VAL A 20 6.083 -1.752 -4.518 1.00 0.83 C ATOM 302 CG1 VAL A 20 6.658 -1.874 -5.924 1.00 0.90 C ATOM 303 CG2 VAL A 20 5.839 -0.274 -4.202 1.00 0.89 C ATOM 0 H VAL A 20 4.924 -1.998 -2.369 1.00 0.80 H new ATOM 0 HA VAL A 20 4.033 -2.070 -5.102 1.00 0.83 H new ATOM 0 HB VAL A 20 6.791 -2.176 -3.806 1.00 0.83 H new ATOM 0 HG11 VAL A 20 7.600 -1.328 -5.981 1.00 0.90 H new ATOM 0 HG12 VAL A 20 6.833 -2.925 -6.156 1.00 0.90 H new ATOM 0 HG13 VAL A 20 5.953 -1.457 -6.643 1.00 0.90 H new ATOM 0 HG21 VAL A 20 6.779 0.273 -4.271 1.00 0.89 H new ATOM 0 HG22 VAL A 20 5.126 0.138 -4.916 1.00 0.89 H new ATOM 0 HG23 VAL A 20 5.437 -0.179 -3.193 1.00 0.89 H new ATOM 313 N GLU A 21 5.000 -4.886 -3.836 1.00 0.77 N ATOM 314 CA GLU A 21 5.186 -6.332 -4.152 1.00 0.77 C ATOM 315 C GLU A 21 3.912 -6.869 -4.807 1.00 0.72 C ATOM 316 O GLU A 21 3.960 -7.523 -5.839 1.00 0.73 O ATOM 317 CB GLU A 21 5.462 -7.106 -2.862 1.00 0.85 C ATOM 318 CG GLU A 21 6.067 -8.470 -3.204 1.00 1.39 C ATOM 319 CD GLU A 21 4.947 -9.495 -3.390 1.00 2.90 C ATOM 320 OE1 GLU A 21 4.124 -9.614 -2.497 1.00 3.92 O ATOM 321 OE2 GLU A 21 4.930 -10.143 -4.424 1.00 3.94 O ATOM 0 H GLU A 21 4.914 -4.669 -2.843 1.00 0.77 H new ATOM 0 HA GLU A 21 6.029 -6.454 -4.832 1.00 0.77 H new ATOM 0 HB2 GLU A 21 6.145 -6.542 -2.226 1.00 0.85 H new ATOM 0 HB3 GLU A 21 4.538 -7.237 -2.299 1.00 0.85 H new ATOM 0 HG2 GLU A 21 6.662 -8.397 -4.114 1.00 1.39 H new ATOM 0 HG3 GLU A 21 6.739 -8.791 -2.408 1.00 1.39 H new ATOM 328 N LEU A 22 2.764 -6.599 -4.223 1.00 0.75 N ATOM 329 CA LEU A 22 1.491 -7.096 -4.827 1.00 0.78 C ATOM 330 C LEU A 22 1.340 -6.515 -6.232 1.00 0.77 C ATOM 331 O LEU A 22 0.873 -7.178 -7.135 1.00 0.80 O ATOM 332 CB LEU A 22 0.283 -6.686 -3.981 1.00 1.00 C ATOM 333 CG LEU A 22 -0.803 -7.772 -4.077 1.00 1.02 C ATOM 334 CD1 LEU A 22 -2.048 -7.317 -3.327 1.00 1.80 C ATOM 335 CD2 LEU A 22 -1.185 -8.021 -5.540 1.00 1.70 C ATOM 0 H LEU A 22 2.658 -6.061 -3.363 1.00 0.75 H new ATOM 0 HA LEU A 22 1.531 -8.184 -4.868 1.00 0.78 H new ATOM 0 HB2 LEU A 22 0.583 -6.548 -2.942 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -0.111 -5.731 -4.329 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.409 -8.690 -3.641 1.00 1.02 H new ATOM 0 HD11 LEU A 22 -2.816 -8.087 -3.396 1.00 1.80 H new ATOM 0 HD12 LEU A 22 -1.799 -7.145 -2.280 1.00 1.80 H new ATOM 0 HD13 LEU A 22 -2.421 -6.392 -3.768 1.00 1.80 H new ATOM 0 HD21 LEU A 22 -1.954 -8.792 -5.589 1.00 1.70 H new ATOM 0 HD22 LEU A 22 -1.567 -7.099 -5.978 1.00 1.70 H new ATOM 0 HD23 LEU A 22 -0.306 -8.350 -6.095 1.00 1.70 H new ATOM 347 N ALA A 23 1.748 -5.288 -6.426 1.00 0.84 N ATOM 348 CA ALA A 23 1.650 -4.679 -7.786 1.00 0.96 C ATOM 349 C ALA A 23 2.703 -5.330 -8.691 1.00 0.98 C ATOM 350 O ALA A 23 2.535 -5.412 -9.893 1.00 1.11 O ATOM 351 CB ALA A 23 1.901 -3.175 -7.702 1.00 1.10 C ATOM 0 H ALA A 23 2.143 -4.684 -5.706 1.00 0.84 H new ATOM 0 HA ALA A 23 0.653 -4.845 -8.194 1.00 0.96 H new ATOM 0 HB1 ALA A 23 1.828 -2.738 -8.698 1.00 1.10 H new ATOM 0 HB2 ALA A 23 1.157 -2.718 -7.049 1.00 1.10 H new ATOM 0 HB3 ALA A 23 2.897 -2.994 -7.299 1.00 1.10 H new ATOM 357 N ASN A 24 3.779 -5.806 -8.113 1.00 0.90 N ATOM 358 CA ASN A 24 4.843 -6.471 -8.916 1.00 0.99 C ATOM 359 C ASN A 24 4.490 -7.953 -9.135 1.00 0.96 C ATOM 360 O ASN A 24 5.251 -8.683 -9.738 1.00 1.07 O ATOM 361 CB ASN A 24 6.178 -6.372 -8.175 1.00 1.09 C ATOM 362 CG ASN A 24 7.329 -6.500 -9.175 1.00 1.34 C ATOM 363 OD1 ASN A 24 7.800 -5.514 -9.705 1.00 2.12 O ATOM 364 ND2 ASN A 24 7.803 -7.683 -9.456 1.00 2.03 N ATOM 0 H ASN A 24 3.964 -5.760 -7.111 1.00 0.90 H new ATOM 0 HA ASN A 24 4.921 -5.975 -9.883 1.00 0.99 H new ATOM 0 HB2 ASN A 24 6.244 -5.420 -7.649 1.00 1.09 H new ATOM 0 HB3 ASN A 24 6.247 -7.158 -7.422 1.00 1.09 H new ATOM 0 HD21 ASN A 24 8.570 -7.780 -10.121 1.00 2.03 H new ATOM 0 HD22 ASN A 24 7.407 -8.510 -9.010 1.00 2.03 H new ATOM 371 N PHE A 25 3.341 -8.401 -8.649 1.00 0.89 N ATOM 372 CA PHE A 25 2.910 -9.835 -8.825 1.00 0.92 C ATOM 373 C PHE A 25 3.192 -10.307 -10.262 1.00 1.03 C ATOM 374 O PHE A 25 3.712 -11.385 -10.483 1.00 1.26 O ATOM 375 CB PHE A 25 1.403 -9.929 -8.527 1.00 0.83 C ATOM 376 CG PHE A 25 1.163 -10.677 -7.234 1.00 0.88 C ATOM 377 CD1 PHE A 25 1.865 -10.328 -6.075 1.00 2.11 C ATOM 378 CD2 PHE A 25 0.228 -11.717 -7.199 1.00 1.77 C ATOM 379 CE1 PHE A 25 1.633 -11.021 -4.881 1.00 2.18 C ATOM 380 CE2 PHE A 25 -0.006 -12.409 -6.007 1.00 1.90 C ATOM 381 CZ PHE A 25 0.697 -12.062 -4.846 1.00 1.25 C ATOM 0 H PHE A 25 2.678 -7.823 -8.132 1.00 0.89 H new ATOM 0 HA PHE A 25 3.469 -10.474 -8.142 1.00 0.92 H new ATOM 0 HB2 PHE A 25 0.977 -8.928 -8.459 1.00 0.83 H new ATOM 0 HB3 PHE A 25 0.895 -10.437 -9.347 1.00 0.83 H new ATOM 0 HD1 PHE A 25 2.586 -9.524 -6.102 1.00 2.11 H new ATOM 0 HD2 PHE A 25 -0.314 -11.986 -8.094 1.00 1.77 H new ATOM 0 HE1 PHE A 25 2.176 -10.753 -3.987 1.00 2.18 H new ATOM 0 HE2 PHE A 25 -0.729 -13.211 -5.981 1.00 1.90 H new ATOM 0 HZ PHE A 25 0.517 -12.597 -3.925 1.00 1.25 H new ATOM 391 N GLU A 26 2.878 -9.486 -11.234 1.00 1.01 N ATOM 392 CA GLU A 26 3.148 -9.839 -12.669 1.00 1.18 C ATOM 393 C GLU A 26 2.669 -11.260 -13.003 1.00 1.19 C ATOM 394 O GLU A 26 3.301 -11.966 -13.768 1.00 1.59 O ATOM 395 CB GLU A 26 4.654 -9.743 -12.929 1.00 1.53 C ATOM 396 CG GLU A 26 5.034 -8.288 -13.213 1.00 2.54 C ATOM 397 CD GLU A 26 6.230 -8.250 -14.166 1.00 2.70 C ATOM 398 OE1 GLU A 26 6.025 -8.463 -15.350 1.00 3.15 O ATOM 399 OE2 GLU A 26 7.330 -8.010 -13.696 1.00 3.36 O ATOM 0 H GLU A 26 2.441 -8.575 -11.096 1.00 1.01 H new ATOM 0 HA GLU A 26 2.600 -9.141 -13.302 1.00 1.18 H new ATOM 0 HB2 GLU A 26 5.207 -10.112 -12.065 1.00 1.53 H new ATOM 0 HB3 GLU A 26 4.928 -10.373 -13.775 1.00 1.53 H new ATOM 0 HG2 GLU A 26 4.188 -7.759 -13.653 1.00 2.54 H new ATOM 0 HG3 GLU A 26 5.281 -7.777 -12.282 1.00 2.54 H new ATOM 406 N LYS A 27 1.563 -11.682 -12.446 1.00 1.08 N ATOM 407 CA LYS A 27 1.054 -13.055 -12.745 1.00 1.21 C ATOM 408 C LYS A 27 -0.412 -13.161 -12.322 1.00 1.17 C ATOM 409 O LYS A 27 -1.295 -13.290 -13.150 1.00 1.28 O ATOM 410 CB LYS A 27 1.887 -14.086 -11.978 1.00 1.57 C ATOM 411 CG LYS A 27 1.558 -15.490 -12.489 1.00 1.93 C ATOM 412 CD LYS A 27 1.755 -16.503 -11.360 1.00 2.80 C ATOM 413 CE LYS A 27 0.907 -17.746 -11.635 1.00 3.62 C ATOM 414 NZ LYS A 27 -0.428 -17.586 -10.991 1.00 5.08 N ATOM 0 H LYS A 27 0.992 -11.138 -11.799 1.00 1.08 H new ATOM 0 HA LYS A 27 1.135 -13.248 -13.815 1.00 1.21 H new ATOM 0 HB2 LYS A 27 2.949 -13.880 -12.108 1.00 1.57 H new ATOM 0 HB3 LYS A 27 1.677 -14.017 -10.911 1.00 1.57 H new ATOM 0 HG2 LYS A 27 0.530 -15.526 -12.849 1.00 1.93 H new ATOM 0 HG3 LYS A 27 2.200 -15.741 -13.333 1.00 1.93 H new ATOM 0 HD2 LYS A 27 2.807 -16.777 -11.283 1.00 2.80 H new ATOM 0 HD3 LYS A 27 1.471 -16.060 -10.406 1.00 2.80 H new ATOM 0 HE2 LYS A 27 0.790 -17.890 -12.709 1.00 3.62 H new ATOM 0 HE3 LYS A 27 1.406 -18.634 -11.247 1.00 3.62 H new ATOM 0 HZ1 LYS A 27 -1.006 -18.430 -11.177 1.00 5.08 H new ATOM 0 HZ2 LYS A 27 -0.307 -17.468 -9.965 1.00 5.08 H new ATOM 0 HZ3 LYS A 27 -0.904 -16.748 -11.382 1.00 5.08 H new ATOM 428 N ASN A 28 -0.674 -13.105 -11.044 1.00 1.23 N ATOM 429 CA ASN A 28 -2.081 -13.197 -10.557 1.00 1.46 C ATOM 430 C ASN A 28 -2.732 -11.809 -10.581 1.00 1.40 C ATOM 431 O ASN A 28 -3.942 -11.688 -10.561 1.00 1.79 O ATOM 432 CB ASN A 28 -2.087 -13.732 -9.124 1.00 1.69 C ATOM 433 CG ASN A 28 -3.372 -14.526 -8.882 1.00 2.31 C ATOM 434 OD1 ASN A 28 -4.126 -14.224 -7.979 1.00 3.02 O ATOM 435 ND2 ASN A 28 -3.657 -15.535 -9.659 1.00 2.91 N ATOM 0 H ASN A 28 0.029 -12.999 -10.313 1.00 1.23 H new ATOM 0 HA ASN A 28 -2.642 -13.870 -11.205 1.00 1.46 H new ATOM 0 HB2 ASN A 28 -1.217 -14.368 -8.958 1.00 1.69 H new ATOM 0 HB3 ASN A 28 -2.018 -12.906 -8.416 1.00 1.69 H new ATOM 0 HD21 ASN A 28 -4.513 -16.069 -9.508 1.00 2.91 H new ATOM 0 HD22 ASN A 28 -3.024 -15.789 -10.418 1.00 2.91 H new ATOM 442 N VAL A 29 -1.941 -10.762 -10.614 1.00 1.15 N ATOM 443 CA VAL A 29 -2.515 -9.386 -10.627 1.00 1.30 C ATOM 444 C VAL A 29 -2.281 -8.733 -11.996 1.00 1.72 C ATOM 445 O VAL A 29 -2.997 -7.829 -12.385 1.00 2.59 O ATOM 446 CB VAL A 29 -1.844 -8.549 -9.529 1.00 0.98 C ATOM 447 CG1 VAL A 29 -2.572 -7.210 -9.390 1.00 1.29 C ATOM 448 CG2 VAL A 29 -1.900 -9.306 -8.191 1.00 0.92 C ATOM 0 H VAL A 29 -0.922 -10.805 -10.632 1.00 1.15 H new ATOM 0 HA VAL A 29 -3.588 -9.439 -10.442 1.00 1.30 H new ATOM 0 HB VAL A 29 -0.803 -8.371 -9.798 1.00 0.98 H new ATOM 0 HG11 VAL A 29 -2.095 -6.616 -8.610 1.00 1.29 H new ATOM 0 HG12 VAL A 29 -2.526 -6.671 -10.336 1.00 1.29 H new ATOM 0 HG13 VAL A 29 -3.614 -7.388 -9.124 1.00 1.29 H new ATOM 0 HG21 VAL A 29 -1.423 -8.708 -7.415 1.00 0.92 H new ATOM 0 HG22 VAL A 29 -2.940 -9.489 -7.920 1.00 0.92 H new ATOM 0 HG23 VAL A 29 -1.377 -10.258 -8.289 1.00 0.92 H new ATOM 458 N SER A 30 -1.289 -9.181 -12.727 1.00 1.77 N ATOM 459 CA SER A 30 -1.010 -8.583 -14.068 1.00 2.31 C ATOM 460 C SER A 30 -2.001 -9.132 -15.101 1.00 2.65 C ATOM 461 O SER A 30 -2.391 -8.440 -16.023 1.00 3.43 O ATOM 462 CB SER A 30 0.421 -8.928 -14.489 1.00 2.87 C ATOM 463 OG SER A 30 1.233 -7.766 -14.376 1.00 3.97 O ATOM 0 H SER A 30 -0.661 -9.936 -12.452 1.00 1.77 H new ATOM 0 HA SER A 30 -1.122 -7.500 -14.011 1.00 2.31 H new ATOM 0 HB2 SER A 30 0.816 -9.725 -13.860 1.00 2.87 H new ATOM 0 HB3 SER A 30 0.433 -9.296 -15.515 1.00 2.87 H new ATOM 0 HG SER A 30 2.038 -7.875 -14.924 1.00 3.97 H new ATOM 469 N GLN A 31 -2.406 -10.370 -14.957 1.00 3.45 N ATOM 470 CA GLN A 31 -3.368 -10.965 -15.932 1.00 4.46 C ATOM 471 C GLN A 31 -4.790 -10.882 -15.370 1.00 4.90 C ATOM 472 O GLN A 31 -5.609 -11.750 -15.602 1.00 6.11 O ATOM 473 CB GLN A 31 -3.003 -12.431 -16.181 1.00 5.40 C ATOM 474 CG GLN A 31 -1.957 -12.515 -17.296 1.00 5.45 C ATOM 475 CD GLN A 31 -2.582 -12.065 -18.618 1.00 5.37 C ATOM 476 OE1 GLN A 31 -2.449 -10.824 -19.001 1.00 6.30 O flip ATOM 477 NE2 GLN A 31 -3.200 -12.851 -19.310 1.00 5.05 N flip ATOM 0 H GLN A 31 -2.111 -10.993 -14.205 1.00 3.45 H new ATOM 0 HA GLN A 31 -3.318 -10.413 -16.870 1.00 4.46 H new ATOM 0 HB2 GLN A 31 -2.613 -12.880 -15.267 1.00 5.40 H new ATOM 0 HB3 GLN A 31 -3.893 -12.996 -16.459 1.00 5.40 H new ATOM 0 HG2 GLN A 31 -1.101 -11.886 -17.054 1.00 5.45 H new ATOM 0 HG3 GLN A 31 -1.587 -13.536 -17.386 1.00 5.45 H new ATOM 0 HE21 GLN A 31 -3.304 -13.821 -19.011 1.00 5.05 H new ATOM 0 HE22 GLN A 31 -3.614 -12.541 -20.189 1.00 5.05 H new ATOM 486 N ALA A 32 -5.085 -9.840 -14.634 1.00 4.30 N ATOM 487 CA ALA A 32 -6.449 -9.678 -14.048 1.00 4.88 C ATOM 488 C ALA A 32 -6.450 -8.438 -13.157 1.00 3.58 C ATOM 489 O ALA A 32 -6.153 -8.513 -11.979 1.00 4.43 O ATOM 490 CB ALA A 32 -6.812 -10.907 -13.205 1.00 6.58 C ATOM 0 H ALA A 32 -4.432 -9.088 -14.413 1.00 4.30 H new ATOM 0 HA ALA A 32 -7.180 -9.572 -14.849 1.00 4.88 H new ATOM 0 HB1 ALA A 32 -7.809 -10.777 -12.783 1.00 6.58 H new ATOM 0 HB2 ALA A 32 -6.797 -11.797 -13.834 1.00 6.58 H new ATOM 0 HB3 ALA A 32 -6.088 -11.021 -12.398 1.00 6.58 H new ATOM 496 N ILE A 33 -6.768 -7.296 -13.713 1.00 2.28 N ATOM 497 CA ILE A 33 -6.776 -6.048 -12.900 1.00 1.47 C ATOM 498 C ILE A 33 -7.908 -6.134 -11.853 1.00 2.02 C ATOM 499 O ILE A 33 -7.882 -7.013 -11.016 1.00 3.76 O ATOM 500 CB ILE A 33 -6.927 -4.834 -13.830 1.00 2.56 C ATOM 501 CG1 ILE A 33 -5.869 -4.895 -14.950 1.00 3.17 C ATOM 502 CG2 ILE A 33 -6.742 -3.545 -13.025 1.00 3.86 C ATOM 503 CD1 ILE A 33 -4.456 -4.936 -14.354 1.00 3.32 C ATOM 0 H ILE A 33 -7.022 -7.177 -14.694 1.00 2.28 H new ATOM 0 HA ILE A 33 -5.836 -5.930 -12.361 1.00 1.47 H new ATOM 0 HB ILE A 33 -7.922 -4.848 -14.275 1.00 2.56 H new ATOM 0 HG12 ILE A 33 -6.035 -5.778 -15.567 1.00 3.17 H new ATOM 0 HG13 ILE A 33 -5.970 -4.027 -15.601 1.00 3.17 H new ATOM 0 HG21 ILE A 33 -6.849 -2.685 -13.686 1.00 3.86 H new ATOM 0 HG22 ILE A 33 -7.496 -3.495 -12.239 1.00 3.86 H new ATOM 0 HG23 ILE A 33 -5.749 -3.536 -12.576 1.00 3.86 H new ATOM 0 HD11 ILE A 33 -3.723 -4.979 -15.159 1.00 3.32 H new ATOM 0 HD12 ILE A 33 -4.287 -4.040 -13.757 1.00 3.32 H new ATOM 0 HD13 ILE A 33 -4.353 -5.818 -13.722 1.00 3.32 H new ATOM 515 N HIS A 34 -8.902 -5.252 -11.865 1.00 1.62 N ATOM 516 CA HIS A 34 -10.005 -5.333 -10.834 1.00 2.10 C ATOM 517 C HIS A 34 -9.379 -5.392 -9.430 1.00 2.10 C ATOM 518 O HIS A 34 -9.945 -5.941 -8.506 1.00 3.65 O ATOM 519 CB HIS A 34 -10.888 -6.592 -11.045 1.00 2.45 C ATOM 520 CG HIS A 34 -10.697 -7.169 -12.427 1.00 2.62 C ATOM 521 ND1 HIS A 34 -9.737 -8.131 -12.692 1.00 3.29 N ATOM 522 CD2 HIS A 34 -11.307 -6.905 -13.628 1.00 3.79 C ATOM 523 CE1 HIS A 34 -9.788 -8.403 -14.005 1.00 4.46 C ATOM 524 NE2 HIS A 34 -10.730 -7.686 -14.625 1.00 4.95 N ATOM 0 H HIS A 34 -8.993 -4.490 -12.537 1.00 1.62 H new ATOM 0 HA HIS A 34 -10.635 -4.450 -10.939 1.00 2.10 H new ATOM 0 HB2 HIS A 34 -10.638 -7.344 -10.297 1.00 2.45 H new ATOM 0 HB3 HIS A 34 -11.936 -6.333 -10.898 1.00 2.45 H new ATOM 0 HD1 HIS A 34 -9.106 -8.556 -12.013 1.00 3.29 H new ATOM 0 HD2 HIS A 34 -12.111 -6.200 -13.776 1.00 3.79 H new ATOM 0 HE1 HIS A 34 -9.145 -9.115 -14.501 1.00 4.46 H new ATOM 532 N LYS A 35 -8.198 -4.839 -9.285 1.00 1.14 N ATOM 533 CA LYS A 35 -7.476 -4.852 -7.969 1.00 0.99 C ATOM 534 C LYS A 35 -6.022 -4.414 -8.200 1.00 0.79 C ATOM 535 O LYS A 35 -5.383 -3.866 -7.323 1.00 0.81 O ATOM 536 CB LYS A 35 -7.481 -6.261 -7.350 1.00 1.14 C ATOM 537 CG LYS A 35 -7.136 -7.308 -8.415 1.00 2.59 C ATOM 538 CD LYS A 35 -6.336 -8.444 -7.775 1.00 3.61 C ATOM 539 CE LYS A 35 -6.603 -9.747 -8.531 1.00 4.90 C ATOM 540 NZ LYS A 35 -7.797 -10.424 -7.949 1.00 4.86 N ATOM 0 H LYS A 35 -7.693 -4.370 -10.037 1.00 1.14 H new ATOM 0 HA LYS A 35 -7.982 -4.171 -7.285 1.00 0.99 H new ATOM 0 HB2 LYS A 35 -6.760 -6.310 -6.534 1.00 1.14 H new ATOM 0 HB3 LYS A 35 -8.461 -6.475 -6.923 1.00 1.14 H new ATOM 0 HG2 LYS A 35 -8.049 -7.700 -8.864 1.00 2.59 H new ATOM 0 HG3 LYS A 35 -6.558 -6.849 -9.217 1.00 2.59 H new ATOM 0 HD2 LYS A 35 -5.272 -8.210 -7.797 1.00 3.61 H new ATOM 0 HD3 LYS A 35 -6.617 -8.555 -6.728 1.00 3.61 H new ATOM 0 HE2 LYS A 35 -6.769 -9.539 -9.588 1.00 4.90 H new ATOM 0 HE3 LYS A 35 -5.734 -10.401 -8.467 1.00 4.90 H new ATOM 0 HZ1 LYS A 35 -7.979 -11.310 -8.463 1.00 4.86 H new ATOM 0 HZ2 LYS A 35 -7.622 -10.635 -6.946 1.00 4.86 H new ATOM 0 HZ3 LYS A 35 -8.625 -9.800 -8.032 1.00 4.86 H new ATOM 554 N TYR A 36 -5.493 -4.657 -9.382 1.00 0.76 N ATOM 555 CA TYR A 36 -4.085 -4.260 -9.699 1.00 0.66 C ATOM 556 C TYR A 36 -3.883 -2.763 -9.415 1.00 0.64 C ATOM 557 O TYR A 36 -3.037 -2.382 -8.631 1.00 0.82 O ATOM 558 CB TYR A 36 -3.829 -4.542 -11.188 1.00 0.79 C ATOM 559 CG TYR A 36 -2.407 -4.183 -11.561 1.00 0.82 C ATOM 560 CD1 TYR A 36 -2.061 -2.846 -11.789 1.00 1.99 C ATOM 561 CD2 TYR A 36 -1.440 -5.187 -11.690 1.00 1.82 C ATOM 562 CE1 TYR A 36 -0.749 -2.513 -12.144 1.00 2.02 C ATOM 563 CE2 TYR A 36 -0.128 -4.854 -12.044 1.00 1.97 C ATOM 564 CZ TYR A 36 0.218 -3.517 -12.271 1.00 1.16 C ATOM 565 OH TYR A 36 1.512 -3.189 -12.621 1.00 1.40 O ATOM 0 H TYR A 36 -5.986 -5.119 -10.146 1.00 0.76 H new ATOM 0 HA TYR A 36 -3.390 -4.828 -9.080 1.00 0.66 H new ATOM 0 HB2 TYR A 36 -4.012 -5.595 -11.401 1.00 0.79 H new ATOM 0 HB3 TYR A 36 -4.527 -3.968 -11.798 1.00 0.79 H new ATOM 0 HD1 TYR A 36 -2.807 -2.071 -11.691 1.00 1.99 H new ATOM 0 HD2 TYR A 36 -1.707 -6.219 -11.516 1.00 1.82 H new ATOM 0 HE1 TYR A 36 -0.483 -1.481 -12.320 1.00 2.02 H new ATOM 0 HE2 TYR A 36 0.618 -5.629 -12.142 1.00 1.97 H new ATOM 0 HH TYR A 36 2.056 -4.003 -12.664 1.00 1.40 H new ATOM 575 N ASN A 37 -4.654 -1.919 -10.055 1.00 0.58 N ATOM 576 CA ASN A 37 -4.514 -0.445 -9.839 1.00 0.61 C ATOM 577 C ASN A 37 -4.732 -0.096 -8.359 1.00 0.57 C ATOM 578 O ASN A 37 -4.331 0.955 -7.902 1.00 0.59 O ATOM 579 CB ASN A 37 -5.551 0.291 -10.690 1.00 0.71 C ATOM 580 CG ASN A 37 -6.948 -0.246 -10.371 1.00 2.52 C ATOM 581 OD1 ASN A 37 -7.351 -0.283 -9.226 1.00 4.01 O ATOM 582 ND2 ASN A 37 -7.709 -0.667 -11.344 1.00 3.38 N ATOM 0 H ASN A 37 -5.378 -2.189 -10.721 1.00 0.58 H new ATOM 0 HA ASN A 37 -3.508 -0.140 -10.129 1.00 0.61 H new ATOM 0 HB2 ASN A 37 -5.507 1.362 -10.490 1.00 0.71 H new ATOM 0 HB3 ASN A 37 -5.331 0.155 -11.749 1.00 0.71 H new ATOM 0 HD21 ASN A 37 -8.642 -1.027 -11.143 1.00 3.38 H new ATOM 0 HD22 ASN A 37 -7.371 -0.636 -12.306 1.00 3.38 H new ATOM 589 N ALA A 38 -5.373 -0.961 -7.616 1.00 0.60 N ATOM 590 CA ALA A 38 -5.626 -0.678 -6.170 1.00 0.66 C ATOM 591 C ALA A 38 -4.300 -0.521 -5.416 1.00 0.61 C ATOM 592 O ALA A 38 -4.074 0.466 -4.738 1.00 0.62 O ATOM 593 CB ALA A 38 -6.420 -1.843 -5.565 1.00 0.75 C ATOM 0 H ALA A 38 -5.734 -1.855 -7.949 1.00 0.60 H new ATOM 0 HA ALA A 38 -6.192 0.249 -6.081 1.00 0.66 H new ATOM 0 HB1 ALA A 38 -6.609 -1.645 -4.510 1.00 0.75 H new ATOM 0 HB2 ALA A 38 -7.369 -1.948 -6.090 1.00 0.75 H new ATOM 0 HB3 ALA A 38 -5.846 -2.765 -5.664 1.00 0.75 H new ATOM 599 N TYR A 39 -3.429 -1.493 -5.516 1.00 0.74 N ATOM 600 CA TYR A 39 -2.117 -1.412 -4.784 1.00 0.81 C ATOM 601 C TYR A 39 -1.145 -0.524 -5.561 1.00 0.75 C ATOM 602 O TYR A 39 -0.244 0.057 -4.994 1.00 0.78 O ATOM 603 CB TYR A 39 -1.465 -2.805 -4.595 1.00 1.00 C ATOM 604 CG TYR A 39 -2.479 -3.921 -4.707 1.00 0.94 C ATOM 605 CD1 TYR A 39 -3.465 -4.075 -3.728 1.00 2.04 C ATOM 606 CD2 TYR A 39 -2.430 -4.795 -5.798 1.00 1.39 C ATOM 607 CE1 TYR A 39 -4.403 -5.107 -3.839 1.00 1.98 C ATOM 608 CE2 TYR A 39 -3.366 -5.826 -5.909 1.00 1.44 C ATOM 609 CZ TYR A 39 -4.354 -5.984 -4.931 1.00 0.90 C ATOM 610 OH TYR A 39 -5.277 -7.004 -5.038 1.00 0.92 O ATOM 0 H TYR A 39 -3.564 -2.339 -6.070 1.00 0.74 H new ATOM 0 HA TYR A 39 -2.325 -0.993 -3.800 1.00 0.81 H new ATOM 0 HB2 TYR A 39 -0.686 -2.946 -5.344 1.00 1.00 H new ATOM 0 HB3 TYR A 39 -0.981 -2.850 -3.619 1.00 1.00 H new ATOM 0 HD1 TYR A 39 -3.503 -3.398 -2.887 1.00 2.04 H new ATOM 0 HD2 TYR A 39 -1.669 -4.673 -6.554 1.00 1.39 H new ATOM 0 HE1 TYR A 39 -5.165 -5.228 -3.083 1.00 1.98 H new ATOM 0 HE2 TYR A 39 -3.327 -6.502 -6.751 1.00 1.44 H new ATOM 0 HH TYR A 39 -6.021 -6.838 -4.423 1.00 0.92 H new ATOM 620 N ARG A 40 -1.313 -0.422 -6.852 1.00 0.75 N ATOM 621 CA ARG A 40 -0.393 0.423 -7.668 1.00 0.78 C ATOM 622 C ARG A 40 -0.459 1.876 -7.178 1.00 0.70 C ATOM 623 O ARG A 40 0.542 2.462 -6.802 1.00 0.95 O ATOM 624 CB ARG A 40 -0.823 0.339 -9.134 1.00 0.85 C ATOM 625 CG ARG A 40 0.415 0.246 -10.033 1.00 1.40 C ATOM 626 CD ARG A 40 1.206 1.554 -9.963 1.00 0.97 C ATOM 627 NE ARG A 40 0.487 2.611 -10.739 1.00 2.42 N ATOM 628 CZ ARG A 40 0.800 3.886 -10.621 1.00 3.48 C ATOM 629 NH1 ARG A 40 1.762 4.287 -9.820 1.00 3.97 N ATOM 630 NH2 ARG A 40 0.141 4.771 -11.318 1.00 4.84 N ATOM 0 H ARG A 40 -2.051 -0.889 -7.379 1.00 0.75 H new ATOM 0 HA ARG A 40 0.633 0.068 -7.568 1.00 0.78 H new ATOM 0 HB2 ARG A 40 -1.461 -0.532 -9.286 1.00 0.85 H new ATOM 0 HB3 ARG A 40 -1.412 1.216 -9.401 1.00 0.85 H new ATOM 0 HG2 ARG A 40 1.043 -0.587 -9.717 1.00 1.40 H new ATOM 0 HG3 ARG A 40 0.115 0.047 -11.062 1.00 1.40 H new ATOM 0 HD2 ARG A 40 1.324 1.866 -8.925 1.00 0.97 H new ATOM 0 HD3 ARG A 40 2.208 1.408 -10.367 1.00 0.97 H new ATOM 0 HE ARG A 40 -0.263 2.339 -11.374 1.00 2.42 H new ATOM 0 HH11 ARG A 40 2.286 3.605 -9.271 1.00 3.97 H new ATOM 0 HH12 ARG A 40 1.984 5.280 -9.747 1.00 3.97 H new ATOM 0 HH21 ARG A 40 -0.606 4.473 -11.945 1.00 4.84 H new ATOM 0 HH22 ARG A 40 0.373 5.761 -11.236 1.00 4.84 H new ATOM 644 N LYS A 41 -1.633 2.453 -7.166 1.00 0.52 N ATOM 645 CA LYS A 41 -1.778 3.859 -6.692 1.00 0.57 C ATOM 646 C LYS A 41 -1.393 3.932 -5.214 1.00 0.54 C ATOM 647 O LYS A 41 -0.824 4.908 -4.760 1.00 0.56 O ATOM 648 CB LYS A 41 -3.231 4.309 -6.863 1.00 0.64 C ATOM 649 CG LYS A 41 -3.277 5.827 -7.062 1.00 1.57 C ATOM 650 CD LYS A 41 -3.349 6.146 -8.556 1.00 2.09 C ATOM 651 CE LYS A 41 -1.940 6.129 -9.153 1.00 3.79 C ATOM 652 NZ LYS A 41 -1.987 6.623 -10.560 1.00 4.79 N ATOM 0 H LYS A 41 -2.500 2.008 -7.466 1.00 0.52 H new ATOM 0 HA LYS A 41 -1.127 4.511 -7.274 1.00 0.57 H new ATOM 0 HB2 LYS A 41 -3.680 3.806 -7.719 1.00 0.64 H new ATOM 0 HB3 LYS A 41 -3.815 4.029 -5.986 1.00 0.64 H new ATOM 0 HG2 LYS A 41 -4.143 6.245 -6.548 1.00 1.57 H new ATOM 0 HG3 LYS A 41 -2.392 6.289 -6.623 1.00 1.57 H new ATOM 0 HD2 LYS A 41 -3.979 5.416 -9.064 1.00 2.09 H new ATOM 0 HD3 LYS A 41 -3.807 7.123 -8.708 1.00 2.09 H new ATOM 0 HE2 LYS A 41 -1.275 6.756 -8.559 1.00 3.79 H new ATOM 0 HE3 LYS A 41 -1.534 5.118 -9.125 1.00 3.79 H new ATOM 0 HZ1 LYS A 41 -1.074 7.056 -10.807 1.00 4.79 H new ATOM 0 HZ2 LYS A 41 -2.177 5.827 -11.201 1.00 4.79 H new ATOM 0 HZ3 LYS A 41 -2.743 7.331 -10.654 1.00 4.79 H new ATOM 666 N ALA A 42 -1.696 2.903 -4.460 1.00 0.55 N ATOM 667 CA ALA A 42 -1.346 2.901 -3.007 1.00 0.59 C ATOM 668 C ALA A 42 0.171 2.998 -2.845 1.00 0.58 C ATOM 669 O ALA A 42 0.659 3.516 -1.865 1.00 0.78 O ATOM 670 CB ALA A 42 -1.848 1.609 -2.358 1.00 0.65 C ATOM 0 H ALA A 42 -2.172 2.063 -4.790 1.00 0.55 H new ATOM 0 HA ALA A 42 -1.818 3.756 -2.522 1.00 0.59 H new ATOM 0 HB1 ALA A 42 -1.591 1.610 -1.299 1.00 0.65 H new ATOM 0 HB2 ALA A 42 -2.930 1.543 -2.469 1.00 0.65 H new ATOM 0 HB3 ALA A 42 -1.380 0.752 -2.843 1.00 0.65 H new ATOM 676 N ALA A 43 0.914 2.509 -3.803 1.00 0.57 N ATOM 677 CA ALA A 43 2.402 2.571 -3.712 1.00 0.63 C ATOM 678 C ALA A 43 2.880 3.985 -4.053 1.00 0.53 C ATOM 679 O ALA A 43 3.924 4.416 -3.605 1.00 0.56 O ATOM 680 CB ALA A 43 3.003 1.574 -4.701 1.00 0.78 C ATOM 0 H ALA A 43 0.552 2.067 -4.648 1.00 0.57 H new ATOM 0 HA ALA A 43 2.719 2.322 -2.699 1.00 0.63 H new ATOM 0 HB1 ALA A 43 4.091 1.613 -4.641 1.00 0.78 H new ATOM 0 HB2 ALA A 43 2.662 0.568 -4.456 1.00 0.78 H new ATOM 0 HB3 ALA A 43 2.686 1.829 -5.712 1.00 0.78 H new ATOM 686 N SER A 44 2.129 4.703 -4.848 1.00 0.50 N ATOM 687 CA SER A 44 2.542 6.087 -5.223 1.00 0.51 C ATOM 688 C SER A 44 2.410 7.020 -4.013 1.00 0.42 C ATOM 689 O SER A 44 3.191 7.937 -3.841 1.00 0.44 O ATOM 690 CB SER A 44 1.647 6.597 -6.353 1.00 0.65 C ATOM 691 OG SER A 44 2.119 6.087 -7.593 1.00 1.57 O ATOM 0 H SER A 44 1.247 4.390 -5.254 1.00 0.50 H new ATOM 0 HA SER A 44 3.581 6.071 -5.553 1.00 0.51 H new ATOM 0 HB2 SER A 44 0.617 6.283 -6.186 1.00 0.65 H new ATOM 0 HB3 SER A 44 1.649 7.687 -6.370 1.00 0.65 H new ATOM 0 HG SER A 44 1.909 6.722 -8.309 1.00 1.57 H new ATOM 697 N VAL A 45 1.421 6.800 -3.181 1.00 0.42 N ATOM 698 CA VAL A 45 1.226 7.683 -1.989 1.00 0.46 C ATOM 699 C VAL A 45 1.987 7.127 -0.773 1.00 0.49 C ATOM 700 O VAL A 45 2.306 7.860 0.139 1.00 0.68 O ATOM 701 CB VAL A 45 -0.277 7.781 -1.676 1.00 0.56 C ATOM 702 CG1 VAL A 45 -0.843 6.386 -1.400 1.00 0.57 C ATOM 703 CG2 VAL A 45 -0.506 8.679 -0.451 1.00 0.66 C ATOM 0 H VAL A 45 0.740 6.047 -3.276 1.00 0.42 H new ATOM 0 HA VAL A 45 1.619 8.675 -2.209 1.00 0.46 H new ATOM 0 HB VAL A 45 -0.786 8.215 -2.537 1.00 0.56 H new ATOM 0 HG11 VAL A 45 -1.908 6.462 -1.179 1.00 0.57 H new ATOM 0 HG12 VAL A 45 -0.699 5.755 -2.277 1.00 0.57 H new ATOM 0 HG13 VAL A 45 -0.326 5.946 -0.547 1.00 0.57 H new ATOM 0 HG21 VAL A 45 -1.574 8.741 -0.239 1.00 0.66 H new ATOM 0 HG22 VAL A 45 0.011 8.257 0.411 1.00 0.66 H new ATOM 0 HG23 VAL A 45 -0.118 9.677 -0.654 1.00 0.66 H new ATOM 713 N ILE A 46 2.265 5.845 -0.750 1.00 0.48 N ATOM 714 CA ILE A 46 2.992 5.250 0.419 1.00 0.66 C ATOM 715 C ILE A 46 4.499 5.546 0.290 1.00 0.57 C ATOM 716 O ILE A 46 5.114 6.080 1.193 1.00 0.62 O ATOM 717 CB ILE A 46 2.702 3.717 0.462 1.00 0.92 C ATOM 718 CG1 ILE A 46 1.597 3.439 1.486 1.00 0.94 C ATOM 719 CG2 ILE A 46 3.936 2.895 0.863 1.00 1.98 C ATOM 720 CD1 ILE A 46 0.297 4.113 1.053 1.00 1.22 C ATOM 0 H ILE A 46 2.021 5.185 -1.488 1.00 0.48 H new ATOM 0 HA ILE A 46 2.648 5.691 1.355 1.00 0.66 H new ATOM 0 HB ILE A 46 2.403 3.421 -0.544 1.00 0.92 H new ATOM 0 HG12 ILE A 46 1.443 2.364 1.584 1.00 0.94 H new ATOM 0 HG13 ILE A 46 1.898 3.808 2.466 1.00 0.94 H new ATOM 0 HG21 ILE A 46 3.679 1.836 0.877 1.00 1.98 H new ATOM 0 HG22 ILE A 46 4.736 3.064 0.142 1.00 1.98 H new ATOM 0 HG23 ILE A 46 4.270 3.201 1.854 1.00 1.98 H new ATOM 0 HD11 ILE A 46 -0.481 3.909 1.788 1.00 1.22 H new ATOM 0 HD12 ILE A 46 0.452 5.189 0.979 1.00 1.22 H new ATOM 0 HD13 ILE A 46 -0.009 3.723 0.082 1.00 1.22 H new ATOM 732 N ALA A 47 5.095 5.176 -0.815 1.00 0.58 N ATOM 733 CA ALA A 47 6.562 5.405 -1.007 1.00 0.55 C ATOM 734 C ALA A 47 6.909 6.881 -0.770 1.00 0.51 C ATOM 735 O ALA A 47 7.889 7.193 -0.124 1.00 0.58 O ATOM 736 CB ALA A 47 6.950 4.995 -2.423 1.00 0.60 C ATOM 0 H ALA A 47 4.626 4.722 -1.599 1.00 0.58 H new ATOM 0 HA ALA A 47 7.118 4.804 -0.287 1.00 0.55 H new ATOM 0 HB1 ALA A 47 8.018 5.159 -2.570 1.00 0.60 H new ATOM 0 HB2 ALA A 47 6.721 3.940 -2.572 1.00 0.60 H new ATOM 0 HB3 ALA A 47 6.389 5.593 -3.141 1.00 0.60 H new ATOM 742 N LYS A 48 6.102 7.787 -1.261 1.00 0.50 N ATOM 743 CA LYS A 48 6.378 9.237 -1.024 1.00 0.57 C ATOM 744 C LYS A 48 6.131 9.531 0.459 1.00 0.61 C ATOM 745 O LYS A 48 6.776 10.363 1.064 1.00 0.71 O ATOM 746 CB LYS A 48 5.438 10.088 -1.883 1.00 0.63 C ATOM 747 CG LYS A 48 5.668 9.771 -3.361 1.00 1.78 C ATOM 748 CD LYS A 48 6.720 10.725 -3.929 1.00 2.27 C ATOM 749 CE LYS A 48 7.491 10.026 -5.050 1.00 3.62 C ATOM 750 NZ LYS A 48 6.708 10.106 -6.316 1.00 4.25 N ATOM 0 H LYS A 48 5.268 7.587 -1.813 1.00 0.50 H new ATOM 0 HA LYS A 48 7.408 9.476 -1.291 1.00 0.57 H new ATOM 0 HB2 LYS A 48 4.401 9.887 -1.614 1.00 0.63 H new ATOM 0 HB3 LYS A 48 5.616 11.147 -1.696 1.00 0.63 H new ATOM 0 HG2 LYS A 48 5.998 8.739 -3.475 1.00 1.78 H new ATOM 0 HG3 LYS A 48 4.734 9.870 -3.915 1.00 1.78 H new ATOM 0 HD2 LYS A 48 6.241 11.627 -4.310 1.00 2.27 H new ATOM 0 HD3 LYS A 48 7.406 11.037 -3.142 1.00 2.27 H new ATOM 0 HE2 LYS A 48 8.466 10.495 -5.183 1.00 3.62 H new ATOM 0 HE3 LYS A 48 7.672 8.984 -4.787 1.00 3.62 H new ATOM 0 HZ1 LYS A 48 7.232 9.631 -7.079 1.00 4.25 H new ATOM 0 HZ2 LYS A 48 5.788 9.639 -6.185 1.00 4.25 H new ATOM 0 HZ3 LYS A 48 6.558 11.104 -6.569 1.00 4.25 H new ATOM 764 N TYR A 49 5.195 8.827 1.042 1.00 0.66 N ATOM 765 CA TYR A 49 4.857 8.999 2.487 1.00 0.77 C ATOM 766 C TYR A 49 6.125 8.875 3.353 1.00 0.69 C ATOM 767 O TYR A 49 7.067 8.222 2.949 1.00 0.85 O ATOM 768 CB TYR A 49 3.881 7.862 2.863 1.00 1.24 C ATOM 769 CG TYR A 49 2.764 8.324 3.778 1.00 0.94 C ATOM 770 CD1 TYR A 49 2.210 9.605 3.656 1.00 1.65 C ATOM 771 CD2 TYR A 49 2.275 7.446 4.752 1.00 1.81 C ATOM 772 CE1 TYR A 49 1.182 10.004 4.507 1.00 1.94 C ATOM 773 CE2 TYR A 49 1.237 7.849 5.601 1.00 1.75 C ATOM 774 CZ TYR A 49 0.694 9.130 5.481 1.00 1.31 C ATOM 775 OH TYR A 49 -0.328 9.529 6.318 1.00 1.76 O ATOM 0 H TYR A 49 4.636 8.121 0.563 1.00 0.66 H new ATOM 0 HA TYR A 49 4.417 9.981 2.658 1.00 0.77 H new ATOM 0 HB2 TYR A 49 3.450 7.444 1.953 1.00 1.24 H new ATOM 0 HB3 TYR A 49 4.435 7.060 3.350 1.00 1.24 H new ATOM 0 HD1 TYR A 49 2.580 10.284 2.902 1.00 1.65 H new ATOM 0 HD2 TYR A 49 2.698 6.457 4.849 1.00 1.81 H new ATOM 0 HE1 TYR A 49 0.760 10.994 4.413 1.00 1.94 H new ATOM 0 HE2 TYR A 49 0.856 7.169 6.349 1.00 1.75 H new ATOM 0 HH TYR A 49 0.050 9.898 7.143 1.00 1.76 H new ATOM 785 N PRO A 50 6.114 9.467 4.544 1.00 0.74 N ATOM 786 CA PRO A 50 7.265 9.357 5.453 1.00 0.97 C ATOM 787 C PRO A 50 7.519 7.879 5.796 1.00 1.13 C ATOM 788 O PRO A 50 8.578 7.535 6.281 1.00 1.43 O ATOM 789 CB PRO A 50 6.872 10.157 6.703 1.00 1.11 C ATOM 790 CG PRO A 50 5.502 10.819 6.421 1.00 1.06 C ATOM 791 CD PRO A 50 4.996 10.282 5.074 1.00 0.90 C ATOM 0 HA PRO A 50 8.185 9.741 5.012 1.00 0.97 H new ATOM 0 HB2 PRO A 50 6.810 9.503 7.573 1.00 1.11 H new ATOM 0 HB3 PRO A 50 7.624 10.913 6.926 1.00 1.11 H new ATOM 0 HG2 PRO A 50 4.794 10.587 7.216 1.00 1.06 H new ATOM 0 HG3 PRO A 50 5.600 11.904 6.388 1.00 1.06 H new ATOM 0 HD2 PRO A 50 4.095 9.682 5.201 1.00 0.90 H new ATOM 0 HD3 PRO A 50 4.743 11.096 4.394 1.00 0.90 H new ATOM 799 N HIS A 51 6.557 7.001 5.529 1.00 1.09 N ATOM 800 CA HIS A 51 6.726 5.535 5.802 1.00 1.40 C ATOM 801 C HIS A 51 6.440 5.211 7.269 1.00 1.28 C ATOM 802 O HIS A 51 6.246 6.083 8.090 1.00 1.83 O ATOM 803 CB HIS A 51 8.133 5.035 5.444 1.00 2.04 C ATOM 804 CG HIS A 51 8.600 5.636 4.147 1.00 1.79 C ATOM 805 ND1 HIS A 51 9.651 6.539 4.089 1.00 2.70 N ATOM 806 CD2 HIS A 51 8.183 5.461 2.852 1.00 2.41 C ATOM 807 CE1 HIS A 51 9.831 6.868 2.798 1.00 3.10 C ATOM 808 NE2 HIS A 51 8.962 6.240 2.002 1.00 3.16 N ATOM 0 H HIS A 51 5.653 7.252 5.128 1.00 1.09 H new ATOM 0 HA HIS A 51 6.005 5.021 5.166 1.00 1.40 H new ATOM 0 HB2 HIS A 51 8.830 5.294 6.241 1.00 2.04 H new ATOM 0 HB3 HIS A 51 8.128 3.948 5.365 1.00 2.04 H new ATOM 0 HD1 HIS A 51 10.189 6.890 4.881 1.00 2.70 H new ATOM 0 HD2 HIS A 51 7.374 4.817 2.540 1.00 2.41 H new ATOM 0 HE1 HIS A 51 10.586 7.556 2.448 1.00 3.10 H new ATOM 0 HE2 HIS A 51 8.886 6.315 0.988 1.00 3.16 H new ATOM 816 N LYS A 52 6.414 3.937 7.580 1.00 1.13 N ATOM 817 CA LYS A 52 6.135 3.452 8.968 1.00 1.11 C ATOM 818 C LYS A 52 4.634 3.553 9.275 1.00 1.02 C ATOM 819 O LYS A 52 3.937 2.555 9.279 1.00 2.72 O ATOM 820 CB LYS A 52 6.950 4.240 10.007 1.00 1.60 C ATOM 821 CG LYS A 52 7.077 3.410 11.287 1.00 2.11 C ATOM 822 CD LYS A 52 5.849 3.639 12.172 1.00 3.15 C ATOM 823 CE LYS A 52 6.086 3.013 13.548 1.00 4.17 C ATOM 824 NZ LYS A 52 6.999 3.885 14.342 1.00 4.61 N ATOM 0 H LYS A 52 6.580 3.190 6.906 1.00 1.13 H new ATOM 0 HA LYS A 52 6.438 2.407 9.028 1.00 1.11 H new ATOM 0 HB2 LYS A 52 7.939 4.472 9.611 1.00 1.60 H new ATOM 0 HB3 LYS A 52 6.463 5.191 10.223 1.00 1.60 H new ATOM 0 HG2 LYS A 52 7.167 2.352 11.039 1.00 2.11 H new ATOM 0 HG3 LYS A 52 7.983 3.689 11.825 1.00 2.11 H new ATOM 0 HD2 LYS A 52 5.656 4.707 12.275 1.00 3.15 H new ATOM 0 HD3 LYS A 52 4.966 3.199 11.708 1.00 3.15 H new ATOM 0 HE2 LYS A 52 5.138 2.890 14.071 1.00 4.17 H new ATOM 0 HE3 LYS A 52 6.520 2.019 13.437 1.00 4.17 H new ATOM 0 HZ1 LYS A 52 6.961 3.606 15.343 1.00 4.61 H new ATOM 0 HZ2 LYS A 52 7.972 3.781 13.990 1.00 4.61 H new ATOM 0 HZ3 LYS A 52 6.701 4.877 14.247 1.00 4.61 H new ATOM 838 N ILE A 53 4.126 4.735 9.534 1.00 1.43 N ATOM 839 CA ILE A 53 2.668 4.882 9.841 1.00 1.35 C ATOM 840 C ILE A 53 2.315 4.065 11.086 1.00 1.42 C ATOM 841 O ILE A 53 1.885 2.931 10.992 1.00 1.63 O ATOM 842 CB ILE A 53 1.836 4.386 8.654 1.00 1.55 C ATOM 843 CG1 ILE A 53 2.289 5.105 7.380 1.00 2.70 C ATOM 844 CG2 ILE A 53 0.356 4.681 8.909 1.00 2.11 C ATOM 845 CD1 ILE A 53 1.511 4.566 6.176 1.00 3.28 C ATOM 0 H ILE A 53 4.659 5.605 9.546 1.00 1.43 H new ATOM 0 HA ILE A 53 2.448 5.934 10.024 1.00 1.35 H new ATOM 0 HB ILE A 53 1.976 3.312 8.535 1.00 1.55 H new ATOM 0 HG12 ILE A 53 2.126 6.178 7.479 1.00 2.70 H new ATOM 0 HG13 ILE A 53 3.358 4.958 7.229 1.00 2.70 H new ATOM 0 HG21 ILE A 53 -0.236 4.328 8.065 1.00 2.11 H new ATOM 0 HG22 ILE A 53 0.034 4.170 9.816 1.00 2.11 H new ATOM 0 HG23 ILE A 53 0.214 5.755 9.028 1.00 2.11 H new ATOM 0 HD11 ILE A 53 1.837 5.081 5.272 1.00 3.28 H new ATOM 0 HD12 ILE A 53 1.697 3.497 6.072 1.00 3.28 H new ATOM 0 HD13 ILE A 53 0.445 4.736 6.326 1.00 3.28 H new ATOM 857 N LYS A 54 2.494 4.636 12.251 1.00 1.60 N ATOM 858 CA LYS A 54 2.169 3.901 13.508 1.00 1.77 C ATOM 859 C LYS A 54 0.710 4.171 13.895 1.00 1.98 C ATOM 860 O LYS A 54 0.424 4.692 14.958 1.00 3.25 O ATOM 861 CB LYS A 54 3.101 4.374 14.628 1.00 2.35 C ATOM 862 CG LYS A 54 3.206 3.288 15.701 1.00 2.88 C ATOM 863 CD LYS A 54 2.124 3.511 16.761 1.00 3.34 C ATOM 864 CE LYS A 54 2.593 2.937 18.099 1.00 4.41 C ATOM 865 NZ LYS A 54 1.478 3.002 19.086 1.00 5.19 N ATOM 0 H LYS A 54 2.852 5.582 12.384 1.00 1.60 H new ATOM 0 HA LYS A 54 2.306 2.831 13.354 1.00 1.77 H new ATOM 0 HB2 LYS A 54 4.088 4.597 14.224 1.00 2.35 H new ATOM 0 HB3 LYS A 54 2.721 5.297 15.066 1.00 2.35 H new ATOM 0 HG2 LYS A 54 3.090 2.303 15.249 1.00 2.88 H new ATOM 0 HG3 LYS A 54 4.193 3.312 16.163 1.00 2.88 H new ATOM 0 HD2 LYS A 54 1.915 4.576 16.864 1.00 3.34 H new ATOM 0 HD3 LYS A 54 1.195 3.032 16.453 1.00 3.34 H new ATOM 0 HE2 LYS A 54 2.919 1.905 17.970 1.00 4.41 H new ATOM 0 HE3 LYS A 54 3.452 3.499 18.467 1.00 4.41 H new ATOM 0 HZ1 LYS A 54 1.797 2.612 19.996 1.00 5.19 H new ATOM 0 HZ2 LYS A 54 1.187 3.992 19.217 1.00 5.19 H new ATOM 0 HZ3 LYS A 54 0.671 2.448 18.735 1.00 5.19 H new ATOM 879 N SER A 55 -0.214 3.817 13.037 1.00 1.62 N ATOM 880 CA SER A 55 -1.657 4.048 13.345 1.00 1.80 C ATOM 881 C SER A 55 -2.512 3.017 12.605 1.00 1.59 C ATOM 882 O SER A 55 -3.153 2.181 13.213 1.00 2.89 O ATOM 883 CB SER A 55 -2.055 5.456 12.900 1.00 2.38 C ATOM 884 OG SER A 55 -3.247 5.840 13.572 1.00 2.90 O ATOM 0 H SER A 55 -0.030 3.377 12.135 1.00 1.62 H new ATOM 0 HA SER A 55 -1.818 3.947 14.418 1.00 1.80 H new ATOM 0 HB2 SER A 55 -1.254 6.161 13.124 1.00 2.38 H new ATOM 0 HB3 SER A 55 -2.208 5.479 11.821 1.00 2.38 H new ATOM 0 HG SER A 55 -3.505 6.743 13.291 1.00 2.90 H new ATOM 890 N GLY A 56 -2.526 3.071 11.296 1.00 1.54 N ATOM 891 CA GLY A 56 -3.337 2.096 10.509 1.00 1.52 C ATOM 892 C GLY A 56 -4.347 2.850 9.639 1.00 1.46 C ATOM 893 O GLY A 56 -4.417 2.647 8.442 1.00 1.73 O ATOM 0 H GLY A 56 -2.009 3.751 10.739 1.00 1.54 H new ATOM 0 HA2 GLY A 56 -2.685 1.488 9.882 1.00 1.52 H new ATOM 0 HA3 GLY A 56 -3.858 1.415 11.182 1.00 1.52 H new ATOM 897 N ALA A 57 -5.126 3.716 10.235 1.00 1.44 N ATOM 898 CA ALA A 57 -6.136 4.489 9.452 1.00 1.74 C ATOM 899 C ALA A 57 -5.448 5.573 8.607 1.00 1.45 C ATOM 900 O ALA A 57 -6.086 6.235 7.807 1.00 1.51 O ATOM 901 CB ALA A 57 -7.124 5.151 10.414 1.00 2.14 C ATOM 0 H ALA A 57 -5.106 3.922 11.234 1.00 1.44 H new ATOM 0 HA ALA A 57 -6.663 3.805 8.787 1.00 1.74 H new ATOM 0 HB1 ALA A 57 -7.862 5.716 9.845 1.00 2.14 H new ATOM 0 HB2 ALA A 57 -7.628 4.384 11.002 1.00 2.14 H new ATOM 0 HB3 ALA A 57 -6.586 5.825 11.081 1.00 2.14 H new ATOM 907 N GLU A 58 -4.158 5.768 8.772 1.00 1.22 N ATOM 908 CA GLU A 58 -3.448 6.811 7.977 1.00 1.04 C ATOM 909 C GLU A 58 -3.502 6.447 6.488 1.00 0.86 C ATOM 910 O GLU A 58 -3.571 7.310 5.634 1.00 0.79 O ATOM 911 CB GLU A 58 -1.989 6.896 8.440 1.00 1.00 C ATOM 912 CG GLU A 58 -1.801 8.124 9.336 1.00 1.60 C ATOM 913 CD GLU A 58 -0.410 8.719 9.107 1.00 2.11 C ATOM 914 OE1 GLU A 58 0.539 7.953 9.061 1.00 2.77 O ATOM 915 OE2 GLU A 58 -0.318 9.928 8.980 1.00 3.19 O ATOM 0 H GLU A 58 -3.571 5.247 9.424 1.00 1.22 H new ATOM 0 HA GLU A 58 -3.931 7.777 8.126 1.00 1.04 H new ATOM 0 HB2 GLU A 58 -1.717 5.992 8.985 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -1.327 6.959 7.577 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -2.567 8.868 9.116 1.00 1.60 H new ATOM 0 HG3 GLU A 58 -1.920 7.844 10.383 1.00 1.60 H new ATOM 922 N ALA A 59 -3.472 5.177 6.172 1.00 0.88 N ATOM 923 CA ALA A 59 -3.524 4.762 4.738 1.00 0.85 C ATOM 924 C ALA A 59 -4.861 5.193 4.128 1.00 0.94 C ATOM 925 O ALA A 59 -4.966 5.412 2.936 1.00 0.97 O ATOM 926 CB ALA A 59 -3.385 3.243 4.631 1.00 1.06 C ATOM 0 H ALA A 59 -3.414 4.411 6.844 1.00 0.88 H new ATOM 0 HA ALA A 59 -2.705 5.238 4.199 1.00 0.85 H new ATOM 0 HB1 ALA A 59 -3.424 2.947 3.583 1.00 1.06 H new ATOM 0 HB2 ALA A 59 -2.432 2.934 5.060 1.00 1.06 H new ATOM 0 HB3 ALA A 59 -4.200 2.764 5.174 1.00 1.06 H new ATOM 932 N LYS A 60 -5.885 5.308 4.938 1.00 1.09 N ATOM 933 CA LYS A 60 -7.220 5.716 4.414 1.00 1.27 C ATOM 934 C LYS A 60 -7.217 7.208 4.069 1.00 1.16 C ATOM 935 O LYS A 60 -7.727 7.610 3.039 1.00 1.28 O ATOM 936 CB LYS A 60 -8.290 5.441 5.475 1.00 1.55 C ATOM 937 CG LYS A 60 -8.926 4.069 5.222 1.00 2.36 C ATOM 938 CD LYS A 60 -10.429 4.140 5.505 1.00 2.56 C ATOM 939 CE LYS A 60 -11.134 4.833 4.338 1.00 3.43 C ATOM 940 NZ LYS A 60 -12.608 4.660 4.474 1.00 4.12 N ATOM 0 H LYS A 60 -5.851 5.136 5.943 1.00 1.09 H new ATOM 0 HA LYS A 60 -7.439 5.143 3.513 1.00 1.27 H new ATOM 0 HB2 LYS A 60 -7.845 5.469 6.470 1.00 1.55 H new ATOM 0 HB3 LYS A 60 -9.054 6.218 5.445 1.00 1.55 H new ATOM 0 HG2 LYS A 60 -8.754 3.762 4.190 1.00 2.36 H new ATOM 0 HG3 LYS A 60 -8.461 3.318 5.860 1.00 2.36 H new ATOM 0 HD2 LYS A 60 -10.832 3.137 5.643 1.00 2.56 H new ATOM 0 HD3 LYS A 60 -10.611 4.687 6.430 1.00 2.56 H new ATOM 0 HE2 LYS A 60 -10.881 5.893 4.325 1.00 3.43 H new ATOM 0 HE3 LYS A 60 -10.794 4.412 3.392 1.00 3.43 H new ATOM 0 HZ1 LYS A 60 -13.088 5.131 3.681 1.00 4.12 H new ATOM 0 HZ2 LYS A 60 -12.841 3.646 4.467 1.00 4.12 H new ATOM 0 HZ3 LYS A 60 -12.926 5.082 5.370 1.00 4.12 H new ATOM 954 N LYS A 61 -6.658 8.034 4.922 1.00 1.08 N ATOM 955 CA LYS A 61 -6.639 9.501 4.635 1.00 1.14 C ATOM 956 C LYS A 61 -5.848 9.776 3.353 1.00 0.95 C ATOM 957 O LYS A 61 -6.064 10.772 2.692 1.00 1.01 O ATOM 958 CB LYS A 61 -6.015 10.267 5.812 1.00 1.27 C ATOM 959 CG LYS A 61 -4.568 9.821 6.039 1.00 1.75 C ATOM 960 CD LYS A 61 -3.771 10.975 6.653 1.00 1.70 C ATOM 961 CE LYS A 61 -3.621 12.109 5.632 1.00 2.15 C ATOM 962 NZ LYS A 61 -3.988 13.403 6.272 1.00 2.96 N ATOM 0 H LYS A 61 -6.217 7.756 5.799 1.00 1.08 H new ATOM 0 HA LYS A 61 -7.665 9.843 4.499 1.00 1.14 H new ATOM 0 HB2 LYS A 61 -6.044 11.338 5.612 1.00 1.27 H new ATOM 0 HB3 LYS A 61 -6.600 10.096 6.716 1.00 1.27 H new ATOM 0 HG2 LYS A 61 -4.542 8.955 6.700 1.00 1.75 H new ATOM 0 HG3 LYS A 61 -4.118 9.515 5.095 1.00 1.75 H new ATOM 0 HD2 LYS A 61 -4.277 11.343 7.546 1.00 1.70 H new ATOM 0 HD3 LYS A 61 -2.788 10.623 6.966 1.00 1.70 H new ATOM 0 HE2 LYS A 61 -2.595 12.150 5.266 1.00 2.15 H new ATOM 0 HE3 LYS A 61 -4.261 11.923 4.769 1.00 2.15 H new ATOM 0 HZ1 LYS A 61 -3.887 14.173 5.581 1.00 2.96 H new ATOM 0 HZ2 LYS A 61 -4.974 13.360 6.601 1.00 2.96 H new ATOM 0 HZ3 LYS A 61 -3.360 13.580 7.082 1.00 2.96 H new ATOM 976 N LEU A 62 -4.933 8.900 2.992 1.00 0.83 N ATOM 977 CA LEU A 62 -4.123 9.111 1.744 1.00 0.80 C ATOM 978 C LEU A 62 -5.069 9.391 0.550 1.00 0.96 C ATOM 979 O LEU A 62 -5.750 8.488 0.104 1.00 1.30 O ATOM 980 CB LEU A 62 -3.302 7.848 1.439 1.00 0.97 C ATOM 981 CG LEU A 62 -2.405 7.476 2.632 1.00 1.16 C ATOM 982 CD1 LEU A 62 -1.556 6.261 2.261 1.00 1.39 C ATOM 983 CD2 LEU A 62 -1.476 8.642 2.989 1.00 1.18 C ATOM 0 H LEU A 62 -4.713 8.048 3.508 1.00 0.83 H new ATOM 0 HA LEU A 62 -3.455 9.959 1.895 1.00 0.80 H new ATOM 0 HB2 LEU A 62 -3.973 7.020 1.211 1.00 0.97 H new ATOM 0 HB3 LEU A 62 -2.687 8.014 0.554 1.00 0.97 H new ATOM 0 HG LEU A 62 -3.037 7.249 3.490 1.00 1.16 H new ATOM 0 HD11 LEU A 62 -0.918 5.992 3.103 1.00 1.39 H new ATOM 0 HD12 LEU A 62 -2.208 5.422 2.018 1.00 1.39 H new ATOM 0 HD13 LEU A 62 -0.936 6.501 1.397 1.00 1.39 H new ATOM 0 HD21 LEU A 62 -0.849 8.361 3.835 1.00 1.18 H new ATOM 0 HD22 LEU A 62 -0.845 8.880 2.133 1.00 1.18 H new ATOM 0 HD23 LEU A 62 -2.073 9.515 3.254 1.00 1.18 H new ATOM 995 N PRO A 63 -5.113 10.626 0.065 1.00 1.13 N ATOM 996 CA PRO A 63 -6.004 10.976 -1.058 1.00 1.51 C ATOM 997 C PRO A 63 -5.608 10.212 -2.326 1.00 1.85 C ATOM 998 O PRO A 63 -4.472 10.261 -2.759 1.00 2.69 O ATOM 999 CB PRO A 63 -5.818 12.488 -1.261 1.00 1.94 C ATOM 1000 CG PRO A 63 -4.743 12.971 -0.257 1.00 1.96 C ATOM 1001 CD PRO A 63 -4.301 11.759 0.574 1.00 1.39 C ATOM 0 HA PRO A 63 -7.041 10.714 -0.849 1.00 1.51 H new ATOM 0 HB2 PRO A 63 -5.508 12.701 -2.284 1.00 1.94 H new ATOM 0 HB3 PRO A 63 -6.758 13.014 -1.097 1.00 1.94 H new ATOM 0 HG2 PRO A 63 -3.893 13.403 -0.785 1.00 1.96 H new ATOM 0 HG3 PRO A 63 -5.146 13.751 0.389 1.00 1.96 H new ATOM 0 HD2 PRO A 63 -3.235 11.566 0.454 1.00 1.39 H new ATOM 0 HD3 PRO A 63 -4.477 11.924 1.637 1.00 1.39 H new ATOM 1009 N GLY A 64 -6.543 9.520 -2.928 1.00 2.17 N ATOM 1010 CA GLY A 64 -6.235 8.767 -4.179 1.00 2.66 C ATOM 1011 C GLY A 64 -6.107 7.265 -3.897 1.00 2.47 C ATOM 1012 O GLY A 64 -6.077 6.466 -4.816 1.00 2.70 O ATOM 0 H GLY A 64 -7.508 9.445 -2.605 1.00 2.17 H new ATOM 0 HA2 GLY A 64 -7.022 8.937 -4.914 1.00 2.66 H new ATOM 0 HA3 GLY A 64 -5.307 9.140 -4.613 1.00 2.66 H new ATOM 1016 N VAL A 65 -6.020 6.865 -2.649 1.00 2.25 N ATOM 1017 CA VAL A 65 -5.883 5.406 -2.344 1.00 2.29 C ATOM 1018 C VAL A 65 -6.565 5.083 -1.013 1.00 1.94 C ATOM 1019 O VAL A 65 -6.559 5.876 -0.091 1.00 2.37 O ATOM 1020 CB VAL A 65 -4.396 5.040 -2.258 1.00 2.73 C ATOM 1021 CG1 VAL A 65 -4.241 3.518 -2.179 1.00 2.73 C ATOM 1022 CG2 VAL A 65 -3.670 5.566 -3.503 1.00 3.37 C ATOM 0 H VAL A 65 -6.038 7.481 -1.836 1.00 2.25 H new ATOM 0 HA VAL A 65 -6.358 4.829 -3.138 1.00 2.29 H new ATOM 0 HB VAL A 65 -3.964 5.491 -1.365 1.00 2.73 H new ATOM 0 HG11 VAL A 65 -3.183 3.263 -2.118 1.00 2.73 H new ATOM 0 HG12 VAL A 65 -4.756 3.145 -1.293 1.00 2.73 H new ATOM 0 HG13 VAL A 65 -4.674 3.062 -3.069 1.00 2.73 H new ATOM 0 HG21 VAL A 65 -2.613 5.307 -3.444 1.00 3.37 H new ATOM 0 HG22 VAL A 65 -4.105 5.116 -4.395 1.00 3.37 H new ATOM 0 HG23 VAL A 65 -3.776 6.650 -3.555 1.00 3.37 H new ATOM 1032 N GLY A 66 -7.149 3.916 -0.912 1.00 1.68 N ATOM 1033 CA GLY A 66 -7.836 3.518 0.352 1.00 1.85 C ATOM 1034 C GLY A 66 -8.718 2.296 0.085 1.00 1.74 C ATOM 1035 O GLY A 66 -8.233 1.223 -0.212 1.00 3.02 O ATOM 0 H GLY A 66 -7.179 3.219 -1.656 1.00 1.68 H new ATOM 0 HA2 GLY A 66 -7.100 3.288 1.123 1.00 1.85 H new ATOM 0 HA3 GLY A 66 -8.442 4.343 0.726 1.00 1.85 H new ATOM 1039 N THR A 67 -10.015 2.458 0.185 1.00 1.66 N ATOM 1040 CA THR A 67 -10.967 1.325 -0.062 1.00 2.08 C ATOM 1041 C THR A 67 -10.542 0.066 0.726 1.00 1.53 C ATOM 1042 O THR A 67 -10.928 -0.105 1.867 1.00 2.51 O ATOM 1043 CB THR A 67 -11.049 1.019 -1.569 1.00 3.05 C ATOM 1044 OG1 THR A 67 -9.829 1.376 -2.204 1.00 3.81 O ATOM 1045 CG2 THR A 67 -12.198 1.815 -2.190 1.00 4.15 C ATOM 0 H THR A 67 -10.463 3.341 0.431 1.00 1.66 H new ATOM 0 HA THR A 67 -11.955 1.623 0.289 1.00 2.08 H new ATOM 0 HB THR A 67 -11.226 -0.048 -1.707 1.00 3.05 H new ATOM 0 HG1 THR A 67 -9.888 1.177 -3.162 1.00 3.81 H new ATOM 0 HG21 THR A 67 -12.256 1.598 -3.257 1.00 4.15 H new ATOM 0 HG22 THR A 67 -13.136 1.534 -1.711 1.00 4.15 H new ATOM 0 HG23 THR A 67 -12.022 2.881 -2.045 1.00 4.15 H new ATOM 1053 N LYS A 68 -9.766 -0.818 0.134 1.00 1.33 N ATOM 1054 CA LYS A 68 -9.346 -2.056 0.862 1.00 1.08 C ATOM 1055 C LYS A 68 -7.815 -2.147 0.940 1.00 0.93 C ATOM 1056 O LYS A 68 -7.280 -2.848 1.780 1.00 1.08 O ATOM 1057 CB LYS A 68 -9.892 -3.285 0.131 1.00 1.49 C ATOM 1058 CG LYS A 68 -11.308 -3.593 0.632 1.00 2.34 C ATOM 1059 CD LYS A 68 -11.504 -5.108 0.723 1.00 2.78 C ATOM 1060 CE LYS A 68 -12.767 -5.415 1.531 1.00 4.07 C ATOM 1061 NZ LYS A 68 -12.539 -6.626 2.369 1.00 5.25 N ATOM 0 H LYS A 68 -9.409 -0.733 -0.818 1.00 1.33 H new ATOM 0 HA LYS A 68 -9.745 -2.017 1.876 1.00 1.08 H new ATOM 0 HB2 LYS A 68 -9.907 -3.105 -0.944 1.00 1.49 H new ATOM 0 HB3 LYS A 68 -9.240 -4.142 0.302 1.00 1.49 H new ATOM 0 HG2 LYS A 68 -11.466 -3.137 1.609 1.00 2.34 H new ATOM 0 HG3 LYS A 68 -12.046 -3.161 -0.044 1.00 2.34 H new ATOM 0 HD2 LYS A 68 -11.587 -5.535 -0.277 1.00 2.78 H new ATOM 0 HD3 LYS A 68 -10.637 -5.569 1.196 1.00 2.78 H new ATOM 0 HE2 LYS A 68 -13.022 -4.565 2.164 1.00 4.07 H new ATOM 0 HE3 LYS A 68 -13.610 -5.578 0.860 1.00 4.07 H new ATOM 0 HZ1 LYS A 68 -13.397 -6.835 2.918 1.00 5.25 H new ATOM 0 HZ2 LYS A 68 -12.315 -7.435 1.756 1.00 5.25 H new ATOM 0 HZ3 LYS A 68 -11.745 -6.454 3.019 1.00 5.25 H new ATOM 1075 N ILE A 69 -7.105 -1.458 0.077 1.00 0.81 N ATOM 1076 CA ILE A 69 -5.612 -1.520 0.114 1.00 0.73 C ATOM 1077 C ILE A 69 -5.101 -0.984 1.457 1.00 0.71 C ATOM 1078 O ILE A 69 -4.003 -1.300 1.876 1.00 0.77 O ATOM 1079 CB ILE A 69 -5.035 -0.679 -1.031 1.00 0.73 C ATOM 1080 CG1 ILE A 69 -5.630 -1.153 -2.372 1.00 0.80 C ATOM 1081 CG2 ILE A 69 -3.511 -0.838 -1.062 1.00 0.84 C ATOM 1082 CD1 ILE A 69 -6.562 -0.079 -2.942 1.00 2.38 C ATOM 0 H ILE A 69 -7.496 -0.857 -0.649 1.00 0.81 H new ATOM 0 HA ILE A 69 -5.293 -2.556 -0.001 1.00 0.73 H new ATOM 0 HB ILE A 69 -5.289 0.369 -0.874 1.00 0.73 H new ATOM 0 HG12 ILE A 69 -4.829 -1.364 -3.080 1.00 0.80 H new ATOM 0 HG13 ILE A 69 -6.180 -2.083 -2.227 1.00 0.80 H new ATOM 0 HG21 ILE A 69 -3.099 -0.241 -1.876 1.00 0.84 H new ATOM 0 HG22 ILE A 69 -3.091 -0.500 -0.115 1.00 0.84 H new ATOM 0 HG23 ILE A 69 -3.258 -1.887 -1.218 1.00 0.84 H new ATOM 0 HD11 ILE A 69 -6.977 -0.423 -3.889 1.00 2.38 H new ATOM 0 HD12 ILE A 69 -7.372 0.110 -2.238 1.00 2.38 H new ATOM 0 HD13 ILE A 69 -6.000 0.841 -3.105 1.00 2.38 H new ATOM 1094 N ALA A 70 -5.884 -0.178 2.135 1.00 0.70 N ATOM 1095 CA ALA A 70 -5.440 0.375 3.452 1.00 0.74 C ATOM 1096 C ALA A 70 -5.177 -0.776 4.428 1.00 0.75 C ATOM 1097 O ALA A 70 -4.275 -0.718 5.241 1.00 0.82 O ATOM 1098 CB ALA A 70 -6.533 1.283 4.017 1.00 0.79 C ATOM 0 H ALA A 70 -6.811 0.120 1.832 1.00 0.70 H new ATOM 0 HA ALA A 70 -4.524 0.950 3.314 1.00 0.74 H new ATOM 0 HB1 ALA A 70 -6.211 1.687 4.977 1.00 0.79 H new ATOM 0 HB2 ALA A 70 -6.720 2.103 3.323 1.00 0.79 H new ATOM 0 HB3 ALA A 70 -7.449 0.708 4.154 1.00 0.79 H new ATOM 1104 N GLU A 71 -5.961 -1.822 4.345 1.00 0.78 N ATOM 1105 CA GLU A 71 -5.766 -2.987 5.258 1.00 0.85 C ATOM 1106 C GLU A 71 -4.386 -3.602 5.011 1.00 0.82 C ATOM 1107 O GLU A 71 -3.753 -4.108 5.916 1.00 0.82 O ATOM 1108 CB GLU A 71 -6.847 -4.035 4.986 1.00 0.95 C ATOM 1109 CG GLU A 71 -8.075 -3.737 5.847 1.00 1.76 C ATOM 1110 CD GLU A 71 -7.792 -4.138 7.296 1.00 2.56 C ATOM 1111 OE1 GLU A 71 -7.512 -5.303 7.524 1.00 3.09 O ATOM 1112 OE2 GLU A 71 -7.860 -3.271 8.152 1.00 3.86 O ATOM 0 H GLU A 71 -6.730 -1.918 3.682 1.00 0.78 H new ATOM 0 HA GLU A 71 -5.836 -2.653 6.293 1.00 0.85 H new ATOM 0 HB2 GLU A 71 -7.119 -4.027 3.931 1.00 0.95 H new ATOM 0 HB3 GLU A 71 -6.466 -5.032 5.209 1.00 0.95 H new ATOM 0 HG2 GLU A 71 -8.321 -2.677 5.793 1.00 1.76 H new ATOM 0 HG3 GLU A 71 -8.939 -4.284 5.469 1.00 1.76 H new ATOM 1119 N LYS A 72 -3.918 -3.555 3.788 1.00 0.86 N ATOM 1120 CA LYS A 72 -2.578 -4.129 3.470 1.00 0.92 C ATOM 1121 C LYS A 72 -1.497 -3.295 4.164 1.00 0.83 C ATOM 1122 O LYS A 72 -0.520 -3.820 4.667 1.00 0.85 O ATOM 1123 CB LYS A 72 -2.358 -4.100 1.951 1.00 1.06 C ATOM 1124 CG LYS A 72 -2.585 -5.501 1.362 1.00 1.26 C ATOM 1125 CD LYS A 72 -1.268 -6.051 0.799 1.00 2.04 C ATOM 1126 CE LYS A 72 -1.170 -7.551 1.085 1.00 2.37 C ATOM 1127 NZ LYS A 72 0.262 -7.963 1.094 1.00 3.87 N ATOM 0 H LYS A 72 -4.409 -3.142 2.995 1.00 0.86 H new ATOM 0 HA LYS A 72 -2.525 -5.159 3.821 1.00 0.92 H new ATOM 0 HB2 LYS A 72 -3.041 -3.387 1.490 1.00 1.06 H new ATOM 0 HB3 LYS A 72 -1.346 -3.762 1.728 1.00 1.06 H new ATOM 0 HG2 LYS A 72 -2.969 -6.171 2.132 1.00 1.26 H new ATOM 0 HG3 LYS A 72 -3.337 -5.456 0.574 1.00 1.26 H new ATOM 0 HD2 LYS A 72 -1.218 -5.872 -0.275 1.00 2.04 H new ATOM 0 HD3 LYS A 72 -0.423 -5.529 1.249 1.00 2.04 H new ATOM 0 HE2 LYS A 72 -1.631 -7.780 2.046 1.00 2.37 H new ATOM 0 HE3 LYS A 72 -1.716 -8.113 0.327 1.00 2.37 H new ATOM 0 HZ1 LYS A 72 0.325 -8.999 1.153 1.00 3.87 H new ATOM 0 HZ2 LYS A 72 0.722 -7.637 0.220 1.00 3.87 H new ATOM 0 HZ3 LYS A 72 0.740 -7.540 1.915 1.00 3.87 H new ATOM 1141 N ILE A 73 -1.674 -1.996 4.202 1.00 0.79 N ATOM 1142 CA ILE A 73 -0.668 -1.115 4.870 1.00 0.74 C ATOM 1143 C ILE A 73 -0.541 -1.524 6.338 1.00 0.69 C ATOM 1144 O ILE A 73 0.528 -1.482 6.912 1.00 0.77 O ATOM 1145 CB ILE A 73 -1.121 0.350 4.774 1.00 0.76 C ATOM 1146 CG1 ILE A 73 -1.354 0.735 3.302 1.00 0.98 C ATOM 1147 CG2 ILE A 73 -0.049 1.263 5.376 1.00 0.78 C ATOM 1148 CD1 ILE A 73 -0.065 0.552 2.490 1.00 1.00 C ATOM 0 H ILE A 73 -2.474 -1.508 3.798 1.00 0.79 H new ATOM 0 HA ILE A 73 0.299 -1.221 4.378 1.00 0.74 H new ATOM 0 HB ILE A 73 -2.053 0.468 5.327 1.00 0.76 H new ATOM 0 HG12 ILE A 73 -2.148 0.119 2.880 1.00 0.98 H new ATOM 0 HG13 ILE A 73 -1.687 1.771 3.239 1.00 0.98 H new ATOM 0 HG21 ILE A 73 -0.374 2.301 5.306 1.00 0.78 H new ATOM 0 HG22 ILE A 73 0.106 1.001 6.423 1.00 0.78 H new ATOM 0 HG23 ILE A 73 0.885 1.138 4.828 1.00 0.78 H new ATOM 0 HD11 ILE A 73 -0.247 0.828 1.451 1.00 1.00 H new ATOM 0 HD12 ILE A 73 0.718 1.188 2.903 1.00 1.00 H new ATOM 0 HD13 ILE A 73 0.250 -0.490 2.538 1.00 1.00 H new ATOM 1160 N ASP A 74 -1.628 -1.936 6.938 1.00 0.68 N ATOM 1161 CA ASP A 74 -1.583 -2.372 8.364 1.00 0.74 C ATOM 1162 C ASP A 74 -1.036 -3.803 8.440 1.00 0.79 C ATOM 1163 O ASP A 74 -0.497 -4.216 9.449 1.00 0.89 O ATOM 1164 CB ASP A 74 -2.995 -2.335 8.953 1.00 0.80 C ATOM 1165 CG ASP A 74 -3.454 -0.883 9.091 1.00 1.86 C ATOM 1166 OD1 ASP A 74 -3.276 -0.133 8.145 1.00 3.29 O ATOM 1167 OD2 ASP A 74 -3.978 -0.546 10.140 1.00 2.32 O ATOM 0 H ASP A 74 -2.547 -1.989 6.499 1.00 0.68 H new ATOM 0 HA ASP A 74 -0.936 -1.702 8.930 1.00 0.74 H new ATOM 0 HB2 ASP A 74 -3.683 -2.885 8.311 1.00 0.80 H new ATOM 0 HB3 ASP A 74 -3.007 -2.825 9.927 1.00 0.80 H new ATOM 1172 N GLU A 75 -1.176 -4.563 7.378 1.00 0.84 N ATOM 1173 CA GLU A 75 -0.673 -5.968 7.376 1.00 0.98 C ATOM 1174 C GLU A 75 0.834 -5.989 7.646 1.00 0.99 C ATOM 1175 O GLU A 75 1.327 -6.838 8.367 1.00 1.10 O ATOM 1176 CB GLU A 75 -0.951 -6.603 6.012 1.00 1.13 C ATOM 1177 CG GLU A 75 -1.204 -8.102 6.186 1.00 1.39 C ATOM 1178 CD GLU A 75 -2.170 -8.587 5.103 1.00 2.32 C ATOM 1179 OE1 GLU A 75 -3.078 -7.844 4.773 1.00 3.51 O ATOM 1180 OE2 GLU A 75 -1.983 -9.693 4.622 1.00 2.90 O ATOM 0 H GLU A 75 -1.620 -4.265 6.510 1.00 0.84 H new ATOM 0 HA GLU A 75 -1.183 -6.530 8.158 1.00 0.98 H new ATOM 0 HB2 GLU A 75 -1.816 -6.129 5.549 1.00 1.13 H new ATOM 0 HB3 GLU A 75 -0.104 -6.442 5.345 1.00 1.13 H new ATOM 0 HG2 GLU A 75 -0.264 -8.650 6.121 1.00 1.39 H new ATOM 0 HG3 GLU A 75 -1.620 -8.299 7.174 1.00 1.39 H new ATOM 1187 N PHE A 76 1.567 -5.061 7.082 1.00 0.93 N ATOM 1188 CA PHE A 76 3.051 -5.035 7.321 1.00 1.00 C ATOM 1189 C PHE A 76 3.320 -4.163 8.545 1.00 1.08 C ATOM 1190 O PHE A 76 4.220 -4.414 9.323 1.00 1.19 O ATOM 1191 CB PHE A 76 3.849 -4.436 6.125 1.00 1.30 C ATOM 1192 CG PHE A 76 2.981 -4.162 4.917 1.00 1.03 C ATOM 1193 CD1 PHE A 76 2.286 -5.198 4.291 1.00 2.14 C ATOM 1194 CD2 PHE A 76 2.882 -2.853 4.429 1.00 1.99 C ATOM 1195 CE1 PHE A 76 1.490 -4.924 3.173 1.00 2.26 C ATOM 1196 CE2 PHE A 76 2.088 -2.579 3.315 1.00 2.40 C ATOM 1197 CZ PHE A 76 1.389 -3.614 2.685 1.00 1.83 C ATOM 0 H PHE A 76 1.210 -4.326 6.472 1.00 0.93 H new ATOM 0 HA PHE A 76 3.379 -6.065 7.458 1.00 1.00 H new ATOM 0 HB2 PHE A 76 4.326 -3.508 6.441 1.00 1.30 H new ATOM 0 HB3 PHE A 76 4.646 -5.125 5.845 1.00 1.30 H new ATOM 0 HD1 PHE A 76 2.362 -6.207 4.668 1.00 2.14 H new ATOM 0 HD2 PHE A 76 3.421 -2.054 4.916 1.00 1.99 H new ATOM 0 HE1 PHE A 76 0.952 -5.724 2.685 1.00 2.26 H new ATOM 0 HE2 PHE A 76 2.013 -1.569 2.940 1.00 2.40 H new ATOM 0 HZ PHE A 76 0.772 -3.404 1.824 1.00 1.83 H new ATOM 1207 N LEU A 77 2.555 -3.114 8.689 1.00 1.20 N ATOM 1208 CA LEU A 77 2.755 -2.171 9.824 1.00 1.48 C ATOM 1209 C LEU A 77 1.887 -2.575 11.023 1.00 1.56 C ATOM 1210 O LEU A 77 1.588 -1.759 11.876 1.00 1.98 O ATOM 1211 CB LEU A 77 2.371 -0.757 9.359 1.00 1.73 C ATOM 1212 CG LEU A 77 3.462 -0.170 8.442 1.00 1.59 C ATOM 1213 CD1 LEU A 77 4.776 -0.056 9.217 1.00 2.35 C ATOM 1214 CD2 LEU A 77 3.683 -1.062 7.215 1.00 2.89 C ATOM 0 H LEU A 77 1.791 -2.869 8.060 1.00 1.20 H new ATOM 0 HA LEU A 77 3.799 -2.197 10.135 1.00 1.48 H new ATOM 0 HB2 LEU A 77 1.420 -0.789 8.827 1.00 1.73 H new ATOM 0 HB3 LEU A 77 2.230 -0.110 10.225 1.00 1.73 H new ATOM 0 HG LEU A 77 3.135 0.815 8.108 1.00 1.59 H new ATOM 0 HD11 LEU A 77 5.547 0.359 8.568 1.00 2.35 H new ATOM 0 HD12 LEU A 77 4.635 0.598 10.077 1.00 2.35 H new ATOM 0 HD13 LEU A 77 5.084 -1.044 9.559 1.00 2.35 H new ATOM 0 HD21 LEU A 77 4.457 -0.627 6.583 1.00 2.89 H new ATOM 0 HD22 LEU A 77 3.994 -2.055 7.539 1.00 2.89 H new ATOM 0 HD23 LEU A 77 2.754 -1.139 6.649 1.00 2.89 H new ATOM 1226 N ALA A 78 1.482 -3.819 11.102 1.00 1.30 N ATOM 1227 CA ALA A 78 0.638 -4.264 12.249 1.00 1.46 C ATOM 1228 C ALA A 78 1.523 -4.485 13.477 1.00 2.05 C ATOM 1229 O ALA A 78 1.264 -3.957 14.542 1.00 2.77 O ATOM 1230 CB ALA A 78 -0.065 -5.574 11.886 1.00 1.30 C ATOM 0 H ALA A 78 1.701 -4.545 10.420 1.00 1.30 H new ATOM 0 HA ALA A 78 -0.107 -3.500 12.470 1.00 1.46 H new ATOM 0 HB1 ALA A 78 -0.682 -5.900 12.723 1.00 1.30 H new ATOM 0 HB2 ALA A 78 -0.695 -5.418 11.010 1.00 1.30 H new ATOM 0 HB3 ALA A 78 0.680 -6.338 11.666 1.00 1.30 H new ATOM 1236 N THR A 79 2.567 -5.263 13.332 1.00 1.99 N ATOM 1237 CA THR A 79 3.477 -5.524 14.485 1.00 2.72 C ATOM 1238 C THR A 79 4.929 -5.304 14.053 1.00 3.17 C ATOM 1239 O THR A 79 5.711 -4.702 14.765 1.00 4.23 O ATOM 1240 CB THR A 79 3.299 -6.969 14.964 1.00 2.90 C ATOM 1241 OG1 THR A 79 4.281 -7.263 15.949 1.00 4.36 O ATOM 1242 CG2 THR A 79 3.458 -7.928 13.783 1.00 2.99 C ATOM 0 H THR A 79 2.827 -5.729 12.462 1.00 1.99 H new ATOM 0 HA THR A 79 3.233 -4.840 15.298 1.00 2.72 H new ATOM 0 HB THR A 79 2.304 -7.088 15.392 1.00 2.90 H new ATOM 0 HG1 THR A 79 4.168 -8.186 16.258 1.00 4.36 H new ATOM 0 HG21 THR A 79 3.331 -8.954 14.128 1.00 2.99 H new ATOM 0 HG22 THR A 79 2.705 -7.703 13.028 1.00 2.99 H new ATOM 0 HG23 THR A 79 4.452 -7.811 13.351 1.00 2.99 H new ATOM 1250 N GLY A 80 5.293 -5.787 12.892 1.00 3.23 N ATOM 1251 CA GLY A 80 6.693 -5.610 12.407 1.00 4.24 C ATOM 1252 C GLY A 80 7.645 -6.407 13.299 1.00 5.04 C ATOM 1253 O GLY A 80 8.553 -5.861 13.896 1.00 5.85 O ATOM 0 H GLY A 80 4.678 -6.298 12.258 1.00 3.23 H new ATOM 0 HA2 GLY A 80 6.777 -5.948 11.374 1.00 4.24 H new ATOM 0 HA3 GLY A 80 6.963 -4.554 12.420 1.00 4.24 H new ATOM 1257 N LYS A 81 7.440 -7.697 13.394 1.00 5.35 N ATOM 1258 CA LYS A 81 8.325 -8.542 14.247 1.00 6.63 C ATOM 1259 C LYS A 81 8.315 -9.980 13.725 1.00 7.34 C ATOM 1260 O LYS A 81 9.273 -10.440 13.131 1.00 8.37 O ATOM 1261 CB LYS A 81 7.816 -8.519 15.690 1.00 7.03 C ATOM 1262 CG LYS A 81 8.548 -7.430 16.474 1.00 7.66 C ATOM 1263 CD LYS A 81 8.672 -7.853 17.940 1.00 8.74 C ATOM 1264 CE LYS A 81 9.597 -6.882 18.676 1.00 9.75 C ATOM 1265 NZ LYS A 81 8.795 -5.757 19.232 1.00 9.98 N ATOM 0 H LYS A 81 6.694 -8.201 12.915 1.00 5.35 H new ATOM 0 HA LYS A 81 9.342 -8.151 14.214 1.00 6.63 H new ATOM 0 HB2 LYS A 81 6.742 -8.332 15.705 1.00 7.03 H new ATOM 0 HB3 LYS A 81 7.977 -9.490 16.159 1.00 7.03 H new ATOM 0 HG2 LYS A 81 9.537 -7.263 16.048 1.00 7.66 H new ATOM 0 HG3 LYS A 81 8.006 -6.487 16.401 1.00 7.66 H new ATOM 0 HD2 LYS A 81 7.689 -7.863 18.411 1.00 8.74 H new ATOM 0 HD3 LYS A 81 9.066 -8.867 18.005 1.00 8.74 H new ATOM 0 HE2 LYS A 81 10.121 -7.400 19.479 1.00 9.75 H new ATOM 0 HE3 LYS A 81 10.356 -6.499 17.994 1.00 9.75 H new ATOM 0 HZ1 LYS A 81 9.424 -5.097 19.732 1.00 9.98 H new ATOM 0 HZ2 LYS A 81 8.314 -5.257 18.457 1.00 9.98 H new ATOM 0 HZ3 LYS A 81 8.086 -6.130 19.895 1.00 9.98 H new ATOM 1279 N LEU A 82 7.239 -10.692 13.945 1.00 7.33 N ATOM 1280 CA LEU A 82 7.156 -12.103 13.467 1.00 8.36 C ATOM 1281 C LEU A 82 7.179 -12.125 11.937 1.00 9.49 C ATOM 1282 O LEU A 82 6.409 -11.442 11.289 1.00 9.80 O ATOM 1283 CB LEU A 82 5.849 -12.736 13.967 1.00 8.53 C ATOM 1284 CG LEU A 82 6.073 -13.433 15.319 1.00 8.91 C ATOM 1285 CD1 LEU A 82 7.103 -14.565 15.168 1.00 9.98 C ATOM 1286 CD2 LEU A 82 6.567 -12.414 16.355 1.00 8.90 C ATOM 0 H LEU A 82 6.412 -10.354 14.437 1.00 7.33 H new ATOM 0 HA LEU A 82 8.005 -12.668 13.852 1.00 8.36 H new ATOM 0 HB2 LEU A 82 5.082 -11.969 14.069 1.00 8.53 H new ATOM 0 HB3 LEU A 82 5.484 -13.457 13.235 1.00 8.53 H new ATOM 0 HG LEU A 82 5.128 -13.859 15.657 1.00 8.91 H new ATOM 0 HD11 LEU A 82 7.253 -15.051 16.132 1.00 9.98 H new ATOM 0 HD12 LEU A 82 6.738 -15.296 14.446 1.00 9.98 H new ATOM 0 HD13 LEU A 82 8.049 -14.152 14.819 1.00 9.98 H new ATOM 0 HD21 LEU A 82 6.724 -12.914 17.311 1.00 8.90 H new ATOM 0 HD22 LEU A 82 7.506 -11.976 16.016 1.00 8.90 H new ATOM 0 HD23 LEU A 82 5.822 -11.627 16.475 1.00 8.90 H new ATOM 1298 N ARG A 83 8.057 -12.906 11.359 1.00 10.55 N ATOM 1299 CA ARG A 83 8.137 -12.979 9.871 1.00 12.08 C ATOM 1300 C ARG A 83 9.175 -14.031 9.466 1.00 13.34 C ATOM 1301 O ARG A 83 9.976 -13.816 8.575 1.00 14.08 O ATOM 1302 CB ARG A 83 8.543 -11.611 9.314 1.00 12.61 C ATOM 1303 CG ARG A 83 9.849 -11.156 9.972 1.00 12.92 C ATOM 1304 CD ARG A 83 10.193 -9.732 9.520 1.00 13.78 C ATOM 1305 NE ARG A 83 11.623 -9.677 9.053 1.00 15.08 N ATOM 1306 CZ ARG A 83 12.623 -10.107 9.796 1.00 15.54 C ATOM 1307 NH1 ARG A 83 12.455 -10.418 11.059 1.00 14.94 N ATOM 1308 NH2 ARG A 83 13.819 -10.168 9.279 1.00 16.90 N ATOM 0 H ARG A 83 8.723 -13.497 11.856 1.00 10.55 H new ATOM 0 HA ARG A 83 7.164 -13.259 9.467 1.00 12.08 H new ATOM 0 HB2 ARG A 83 8.670 -11.670 8.233 1.00 12.61 H new ATOM 0 HB3 ARG A 83 7.755 -10.882 9.503 1.00 12.61 H new ATOM 0 HG2 ARG A 83 9.750 -11.188 11.057 1.00 12.92 H new ATOM 0 HG3 ARG A 83 10.657 -11.837 9.705 1.00 12.92 H new ATOM 0 HD2 ARG A 83 9.526 -9.425 8.715 1.00 13.78 H new ATOM 0 HD3 ARG A 83 10.042 -9.033 10.343 1.00 13.78 H new ATOM 0 HE ARG A 83 11.825 -9.294 8.130 1.00 15.08 H new ATOM 0 HH11 ARG A 83 11.534 -10.329 11.488 1.00 14.94 H new ATOM 0 HH12 ARG A 83 13.246 -10.749 11.612 1.00 14.94 H new ATOM 0 HH21 ARG A 83 13.971 -9.885 8.311 1.00 16.90 H new ATOM 0 HH22 ARG A 83 14.602 -10.499 9.843 1.00 16.90 H new ATOM 1322 N LYS A 84 9.162 -15.167 10.116 1.00 13.87 N ATOM 1323 CA LYS A 84 10.142 -16.241 9.776 1.00 15.29 C ATOM 1324 C LYS A 84 9.483 -17.252 8.833 1.00 16.47 C ATOM 1325 O LYS A 84 9.692 -18.446 8.944 1.00 17.33 O ATOM 1326 CB LYS A 84 10.588 -16.950 11.056 1.00 15.44 C ATOM 1327 CG LYS A 84 11.811 -17.820 10.755 1.00 16.56 C ATOM 1328 CD LYS A 84 13.089 -17.024 11.034 1.00 17.13 C ATOM 1329 CE LYS A 84 13.596 -17.345 12.442 1.00 17.43 C ATOM 1330 NZ LYS A 84 12.946 -16.432 13.424 1.00 16.74 N ATOM 0 H LYS A 84 8.513 -15.397 10.869 1.00 13.87 H new ATOM 0 HA LYS A 84 11.010 -15.800 9.286 1.00 15.29 H new ATOM 0 HB2 LYS A 84 10.830 -16.217 11.826 1.00 15.44 H new ATOM 0 HB3 LYS A 84 9.777 -17.565 11.446 1.00 15.44 H new ATOM 0 HG2 LYS A 84 11.790 -18.720 11.369 1.00 16.56 H new ATOM 0 HG3 LYS A 84 11.792 -18.144 9.714 1.00 16.56 H new ATOM 0 HD2 LYS A 84 13.852 -17.272 10.296 1.00 17.13 H new ATOM 0 HD3 LYS A 84 12.892 -15.956 10.942 1.00 17.13 H new ATOM 0 HE2 LYS A 84 13.375 -18.383 12.692 1.00 17.43 H new ATOM 0 HE3 LYS A 84 14.679 -17.231 12.485 1.00 17.43 H new ATOM 0 HZ1 LYS A 84 13.472 -16.455 14.321 1.00 16.74 H new ATOM 0 HZ2 LYS A 84 12.945 -15.462 13.048 1.00 16.74 H new ATOM 0 HZ3 LYS A 84 11.967 -16.740 13.589 1.00 16.74 H new ATOM 1344 N LEU A 85 8.689 -16.779 7.907 1.00 16.78 N ATOM 1345 CA LEU A 85 8.010 -17.703 6.951 1.00 18.19 C ATOM 1346 C LEU A 85 8.808 -17.762 5.647 1.00 19.52 C ATOM 1347 O LEU A 85 9.712 -16.980 5.427 1.00 19.75 O ATOM 1348 CB LEU A 85 6.599 -17.189 6.661 1.00 18.14 C ATOM 1349 CG LEU A 85 5.805 -17.113 7.968 1.00 17.31 C ATOM 1350 CD1 LEU A 85 4.620 -16.162 7.790 1.00 17.28 C ATOM 1351 CD2 LEU A 85 5.290 -18.506 8.333 1.00 17.87 C ATOM 0 H LEU A 85 8.481 -15.790 7.772 1.00 16.78 H new ATOM 0 HA LEU A 85 7.951 -18.700 7.388 1.00 18.19 H new ATOM 0 HB2 LEU A 85 6.648 -16.205 6.195 1.00 18.14 H new ATOM 0 HB3 LEU A 85 6.097 -17.851 5.956 1.00 18.14 H new ATOM 0 HG LEU A 85 6.451 -16.744 8.765 1.00 17.31 H new ATOM 0 HD11 LEU A 85 4.054 -16.107 8.720 1.00 17.28 H new ATOM 0 HD12 LEU A 85 4.986 -15.169 7.529 1.00 17.28 H new ATOM 0 HD13 LEU A 85 3.974 -16.531 6.993 1.00 17.28 H new ATOM 0 HD21 LEU A 85 4.725 -18.453 9.263 1.00 17.87 H new ATOM 0 HD22 LEU A 85 4.644 -18.875 7.537 1.00 17.87 H new ATOM 0 HD23 LEU A 85 6.134 -19.184 8.460 1.00 17.87 H new ATOM 1363 N GLU A 86 8.478 -18.690 4.781 1.00 20.62 N ATOM 1364 CA GLU A 86 9.209 -18.815 3.482 1.00 22.12 C ATOM 1365 C GLU A 86 10.698 -19.057 3.746 1.00 22.52 C ATOM 1366 O GLU A 86 11.145 -19.052 4.878 1.00 22.02 O ATOM 1367 CB GLU A 86 9.037 -17.529 2.671 1.00 22.61 C ATOM 1368 CG GLU A 86 7.549 -17.285 2.407 1.00 23.02 C ATOM 1369 CD GLU A 86 7.382 -16.056 1.513 1.00 23.70 C ATOM 1370 OE1 GLU A 86 7.489 -16.206 0.307 1.00 24.81 O ATOM 1371 OE2 GLU A 86 7.152 -14.985 2.050 1.00 23.28 O ATOM 0 H GLU A 86 7.730 -19.369 4.920 1.00 20.62 H new ATOM 0 HA GLU A 86 8.801 -19.656 2.921 1.00 22.12 H new ATOM 0 HB2 GLU A 86 9.464 -16.685 3.213 1.00 22.61 H new ATOM 0 HB3 GLU A 86 9.576 -17.607 1.727 1.00 22.61 H new ATOM 0 HG2 GLU A 86 7.106 -18.158 1.928 1.00 23.02 H new ATOM 0 HG3 GLU A 86 7.022 -17.136 3.349 1.00 23.02 H new ATOM 1378 N LYS A 87 11.466 -19.267 2.706 1.00 23.60 N ATOM 1379 CA LYS A 87 12.927 -19.510 2.885 1.00 24.27 C ATOM 1380 C LYS A 87 13.712 -18.646 1.896 1.00 25.16 C ATOM 1381 O LYS A 87 13.114 -18.187 0.936 1.00 25.66 O ATOM 1382 CB LYS A 87 13.234 -20.985 2.629 1.00 25.07 C ATOM 1383 CG LYS A 87 14.485 -21.392 3.409 1.00 25.33 C ATOM 1384 CD LYS A 87 14.140 -21.524 4.894 1.00 24.84 C ATOM 1385 CE LYS A 87 13.730 -22.967 5.196 1.00 25.40 C ATOM 1386 NZ LYS A 87 14.933 -23.754 5.586 1.00 26.32 N ATOM 1387 OXT LYS A 87 14.898 -18.459 2.114 1.00 25.49 O ATOM 0 H LYS A 87 11.141 -19.280 1.739 1.00 23.60 H new ATOM 0 HA LYS A 87 13.216 -19.251 3.903 1.00 24.27 H new ATOM 0 HB2 LYS A 87 12.388 -21.601 2.933 1.00 25.07 H new ATOM 0 HB3 LYS A 87 13.386 -21.155 1.563 1.00 25.07 H new ATOM 0 HG2 LYS A 87 14.872 -22.338 3.029 1.00 25.33 H new ATOM 0 HG3 LYS A 87 15.270 -20.648 3.272 1.00 25.33 H new ATOM 0 HD2 LYS A 87 14.999 -21.243 5.504 1.00 24.84 H new ATOM 0 HD3 LYS A 87 13.329 -20.843 5.152 1.00 24.84 H new ATOM 0 HE2 LYS A 87 12.993 -22.986 5.999 1.00 25.40 H new ATOM 0 HE3 LYS A 87 13.259 -23.413 4.320 1.00 25.40 H new ATOM 0 HZ1 LYS A 87 14.655 -24.735 5.791 1.00 26.32 H new ATOM 0 HZ2 LYS A 87 15.621 -23.745 4.806 1.00 26.32 H new ATOM 0 HZ3 LYS A 87 15.364 -23.332 6.433 1.00 26.32 H new TER 1401 LYS A 87