USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 534 hydrogens (3 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 41 SER OG : rot 130:sc= -1.49 USER MOD Set 1.2: A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= 0.00121 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= -1.07 (180deg=-1.12) USER MOD Single : A 17 SER OG : rot 126:sc= 0.572 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 77:sc= 1.1 USER MOD Single : A 29 ASN : amide:sc= -6.48! C(o=-6.5!,f=-17!) USER MOD Single : A 31 ASN : amide:sc= -2.93! C(o=-2.9!,f=-3.8!) USER MOD Single : A 33 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -160:sc= -0.0788 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.569 K(o=-0.57,f=-15!) USER MOD Single : A 59 HIS : no HD1:sc= -0.338 K(o=-0.34,f=-1.3) USER MOD Single : A 63 THR OG1 : rot 173:sc= 1.07 USER MOD Single : A 64 SER OG : rot 170:sc= -0.0219 USER MOD Single : A 67 HIS : no HE2:sc= -1.3! C(o=-1.3!,f=-9.3!) USER MOD Single : A 69 THR OG1 : rot 81:sc= 0.209 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 16.970 9.033 -10.879 1.00 0.00 C HETATM 2 O ACE A 0 16.746 7.930 -11.375 1.00 0.00 O HETATM 3 CH3 ACE A 0 17.501 10.172 -11.719 1.00 0.00 C HETATM 0 H1 ACE A 0 16.796 11.003 -11.692 1.00 0.00 H new HETATM 0 H2 ACE A 0 18.463 10.499 -11.323 1.00 0.00 H new HETATM 0 H3 ACE A 0 17.628 9.837 -12.748 1.00 0.00 H new ATOM 7 N SER A 1 16.775 9.318 -9.593 1.00 0.00 N ATOM 8 CA SER A 1 16.262 8.316 -8.615 1.00 0.00 C ATOM 9 C SER A 1 14.723 8.040 -8.746 1.00 0.00 C ATOM 10 O SER A 1 13.879 8.770 -8.218 1.00 0.00 O ATOM 11 CB SER A 1 16.678 8.787 -7.203 1.00 0.00 C ATOM 12 OG SER A 1 16.400 7.769 -6.239 1.00 0.00 O ATOM 0 H SER A 1 16.961 10.235 -9.187 1.00 0.00 H new ATOM 0 HA SER A 1 16.708 7.344 -8.826 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.741 9.028 -7.191 1.00 0.00 H new ATOM 0 HB3 SER A 1 16.141 9.699 -6.944 1.00 0.00 H new ATOM 0 HG SER A 1 16.669 8.079 -5.349 1.00 0.00 H new ATOM 18 N ARG A 2 14.361 6.988 -9.502 1.00 0.00 N ATOM 19 CA ARG A 2 12.987 6.548 -9.710 1.00 0.00 C ATOM 20 C ARG A 2 12.932 5.053 -10.006 1.00 0.00 C ATOM 21 O ARG A 2 12.652 4.641 -11.133 1.00 0.00 O ATOM 22 CB ARG A 2 12.345 7.333 -10.858 1.00 0.00 C ATOM 23 CG ARG A 2 11.517 8.520 -10.392 1.00 0.00 C ATOM 24 CD ARG A 2 10.640 9.060 -11.510 1.00 0.00 C ATOM 25 NE ARG A 2 9.841 8.006 -12.136 1.00 0.00 N ATOM 26 CZ ARG A 2 10.013 7.574 -13.385 1.00 0.00 C ATOM 27 NH1 ARG A 2 10.964 8.090 -14.157 1.00 0.00 N ATOM 28 NH2 ARG A 2 9.231 6.617 -13.864 1.00 0.00 N ATOM 0 H ARG A 2 15.042 6.410 -9.995 1.00 0.00 H new ATOM 0 HA ARG A 2 12.429 6.738 -8.793 1.00 0.00 H new ATOM 0 HB2 ARG A 2 13.128 7.687 -11.528 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.710 6.662 -11.436 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.892 8.221 -9.550 1.00 0.00 H new ATOM 0 HG3 ARG A 2 12.179 9.309 -10.034 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.978 9.829 -11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.266 9.537 -12.264 1.00 0.00 H new ATOM 0 HE ARG A 2 9.104 7.573 -11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.572 8.825 -13.795 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.086 7.751 -15.111 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.501 6.214 -13.277 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.360 6.284 -14.819 1.00 0.00 H new ATOM 42 N ARG A 3 13.201 4.243 -8.987 1.00 0.00 N ATOM 43 CA ARG A 3 13.180 2.792 -9.135 1.00 0.00 C ATOM 44 C ARG A 3 12.813 2.121 -7.816 1.00 0.00 C ATOM 45 O ARG A 3 13.686 1.783 -7.016 1.00 0.00 O ATOM 46 CB ARG A 3 14.540 2.285 -9.619 1.00 0.00 C ATOM 47 CG ARG A 3 14.655 2.202 -11.133 1.00 0.00 C ATOM 48 CD ARG A 3 13.985 0.951 -11.676 1.00 0.00 C ATOM 49 NE ARG A 3 14.962 -0.047 -12.108 1.00 0.00 N ATOM 50 CZ ARG A 3 14.778 -1.364 -12.012 1.00 0.00 C ATOM 51 NH1 ARG A 3 13.650 -1.853 -11.510 1.00 0.00 N ATOM 52 NH2 ARG A 3 15.725 -2.195 -12.425 1.00 0.00 N ATOM 0 H ARG A 3 13.436 4.567 -8.049 1.00 0.00 H new ATOM 0 HA ARG A 3 12.424 2.537 -9.877 1.00 0.00 H new ATOM 0 HB2 ARG A 3 15.320 2.945 -9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.722 1.298 -9.194 1.00 0.00 H new ATOM 0 HG2 ARG A 3 14.199 3.084 -11.582 1.00 0.00 H new ATOM 0 HG3 ARG A 3 15.707 2.206 -11.420 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.342 0.521 -10.908 1.00 0.00 H new ATOM 0 HD3 ARG A 3 13.343 1.218 -12.516 1.00 0.00 H new ATOM 0 HE ARG A 3 15.840 0.285 -12.508 1.00 0.00 H new ATOM 0 HH11 ARG A 3 12.916 -1.220 -11.194 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.518 -2.862 -11.440 1.00 0.00 H new ATOM 0 HH21 ARG A 3 16.592 -1.826 -12.815 1.00 0.00 H new ATOM 0 HH22 ARG A 3 15.586 -3.203 -12.352 1.00 0.00 H new ATOM 66 N CYS A 4 11.518 1.930 -7.595 1.00 0.00 N ATOM 67 CA CYS A 4 11.039 1.297 -6.374 1.00 0.00 C ATOM 68 C CYS A 4 10.980 -0.211 -6.536 1.00 0.00 C ATOM 69 O CYS A 4 10.733 -0.722 -7.628 1.00 0.00 O ATOM 70 CB CYS A 4 9.662 1.842 -5.982 1.00 0.00 C ATOM 71 SG CYS A 4 9.719 3.409 -5.052 1.00 0.00 S ATOM 0 H CYS A 4 10.782 2.204 -8.245 1.00 0.00 H new ATOM 0 HA CYS A 4 11.744 1.532 -5.576 1.00 0.00 H new ATOM 0 HB2 CYS A 4 9.071 1.990 -6.886 1.00 0.00 H new ATOM 0 HB3 CYS A 4 9.145 1.094 -5.381 1.00 0.00 H new ATOM 76 N PRO A 5 11.205 -0.950 -5.439 1.00 0.00 N ATOM 77 CA PRO A 5 11.179 -2.406 -5.467 1.00 0.00 C ATOM 78 C PRO A 5 9.777 -2.951 -5.703 1.00 0.00 C ATOM 79 O PRO A 5 8.787 -2.249 -5.497 1.00 0.00 O ATOM 80 CB PRO A 5 11.685 -2.806 -4.080 1.00 0.00 C ATOM 81 CG PRO A 5 11.372 -1.637 -3.214 1.00 0.00 C ATOM 82 CD PRO A 5 11.501 -0.424 -4.092 1.00 0.00 C ATOM 0 HA PRO A 5 11.783 -2.807 -6.281 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.189 -3.708 -3.722 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.755 -3.014 -4.093 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.366 -1.715 -2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.059 -1.582 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.800 0.359 -3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.501 0.007 -4.039 1.00 0.00 H new ATOM 89 N GLY A 6 9.694 -4.207 -6.133 1.00 0.00 N ATOM 90 CA GLY A 6 8.398 -4.811 -6.384 1.00 0.00 C ATOM 91 C GLY A 6 7.759 -4.299 -7.655 1.00 0.00 C ATOM 92 O GLY A 6 8.093 -3.219 -8.140 1.00 0.00 O ATOM 0 H GLY A 6 10.495 -4.813 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.511 -5.893 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.737 -4.609 -5.541 1.00 0.00 H new ATOM 96 N LYS A 7 6.830 -5.079 -8.190 1.00 0.00 N ATOM 97 CA LYS A 7 6.126 -4.719 -9.411 1.00 0.00 C ATOM 98 C LYS A 7 5.448 -3.353 -9.262 1.00 0.00 C ATOM 99 O LYS A 7 4.968 -3.004 -8.184 1.00 0.00 O ATOM 100 CB LYS A 7 5.121 -5.817 -9.744 1.00 0.00 C ATOM 101 CG LYS A 7 4.436 -5.629 -11.079 1.00 0.00 C ATOM 102 CD LYS A 7 3.646 -6.868 -11.475 1.00 0.00 C ATOM 103 CE LYS A 7 4.531 -7.899 -12.151 1.00 0.00 C ATOM 104 NZ LYS A 7 3.881 -9.238 -12.199 1.00 0.00 N ATOM 0 H LYS A 7 6.545 -5.974 -7.792 1.00 0.00 H new ATOM 0 HA LYS A 7 6.834 -4.632 -10.235 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.633 -6.779 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.365 -5.855 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.768 -4.770 -11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.180 -5.410 -11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.186 -7.306 -10.589 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.836 -6.585 -12.147 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.763 -7.571 -13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.477 -7.973 -11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.332 -9.816 -12.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.986 -9.708 -11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.870 -9.126 -12.417 1.00 0.00 H new ATOM 118 N ASN A 8 5.446 -2.566 -10.340 1.00 0.00 N ATOM 119 CA ASN A 8 4.865 -1.221 -10.313 1.00 0.00 C ATOM 120 C ASN A 8 3.469 -1.171 -10.935 1.00 0.00 C ATOM 121 O ASN A 8 2.769 -0.171 -10.811 1.00 0.00 O ATOM 122 CB ASN A 8 5.783 -0.238 -11.041 1.00 0.00 C ATOM 123 CG ASN A 8 6.932 0.237 -10.173 1.00 0.00 C ATOM 124 OD1 ASN A 8 7.865 -0.515 -9.890 1.00 0.00 O ATOM 125 ND2 ASN A 8 6.871 1.494 -9.747 1.00 0.00 N ATOM 0 H ASN A 8 5.839 -2.836 -11.242 1.00 0.00 H new ATOM 0 HA ASN A 8 4.768 -0.939 -9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.182 -0.714 -11.937 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.200 0.623 -11.370 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.616 1.871 -9.161 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.079 2.082 -10.006 1.00 0.00 H new ATOM 132 N ALA A 9 3.069 -2.239 -11.606 1.00 0.00 N ATOM 133 CA ALA A 9 1.758 -2.291 -12.243 1.00 0.00 C ATOM 134 C ALA A 9 1.307 -3.734 -12.401 1.00 0.00 C ATOM 135 O ALA A 9 2.109 -4.607 -12.726 1.00 0.00 O ATOM 136 CB ALA A 9 1.805 -1.600 -13.598 1.00 0.00 C ATOM 0 H ALA A 9 3.631 -3.082 -11.725 1.00 0.00 H new ATOM 0 HA ALA A 9 1.040 -1.770 -11.610 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.821 -1.645 -14.064 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.096 -0.558 -13.465 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.532 -2.101 -14.237 1.00 0.00 H new ATOM 142 N TRP A 10 0.027 -3.987 -12.171 1.00 0.00 N ATOM 143 CA TRP A 10 -0.502 -5.341 -12.293 1.00 0.00 C ATOM 144 C TRP A 10 -1.624 -5.409 -13.326 1.00 0.00 C ATOM 145 O TRP A 10 -2.780 -5.629 -12.977 1.00 0.00 O ATOM 146 CB TRP A 10 -1.015 -5.835 -10.939 1.00 0.00 C ATOM 147 CG TRP A 10 0.067 -6.096 -9.940 1.00 0.00 C ATOM 148 CD1 TRP A 10 0.560 -7.312 -9.570 1.00 0.00 C ATOM 149 CD2 TRP A 10 0.783 -5.121 -9.174 1.00 0.00 C ATOM 150 NE1 TRP A 10 1.543 -7.155 -8.626 1.00 0.00 N ATOM 151 CE2 TRP A 10 1.702 -5.817 -8.369 1.00 0.00 C ATOM 152 CE3 TRP A 10 0.740 -3.728 -9.095 1.00 0.00 C ATOM 153 CZ2 TRP A 10 2.573 -5.166 -7.497 1.00 0.00 C ATOM 154 CZ3 TRP A 10 1.601 -3.081 -8.226 1.00 0.00 C ATOM 155 CH2 TRP A 10 2.507 -3.801 -7.439 1.00 0.00 C ATOM 0 H TRP A 10 -0.660 -3.282 -11.902 1.00 0.00 H new ATOM 0 HA TRP A 10 0.311 -5.985 -12.628 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.703 -5.095 -10.530 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -1.586 -6.751 -11.090 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.225 -8.261 -9.963 1.00 0.00 H new ATOM 0 HE1 TRP A 10 2.070 -7.910 -8.187 1.00 0.00 H new ATOM 0 HE3 TRP A 10 0.047 -3.165 -9.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.274 -5.719 -6.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 1.573 -2.004 -8.154 1.00 0.00 H new ATOM 0 HH2 TRP A 10 3.168 -3.268 -6.772 1.00 0.00 H new ATOM 166 N PRO A 11 -1.303 -5.231 -14.618 1.00 0.00 N ATOM 167 CA PRO A 11 -2.305 -5.290 -15.687 1.00 0.00 C ATOM 168 C PRO A 11 -3.177 -6.539 -15.591 1.00 0.00 C ATOM 169 O PRO A 11 -4.374 -6.503 -15.885 1.00 0.00 O ATOM 170 CB PRO A 11 -1.461 -5.327 -16.962 1.00 0.00 C ATOM 171 CG PRO A 11 -0.182 -4.659 -16.593 1.00 0.00 C ATOM 172 CD PRO A 11 0.053 -4.970 -15.140 1.00 0.00 C ATOM 0 HA PRO A 11 -2.999 -4.451 -15.643 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.291 -6.351 -17.294 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.958 -4.805 -17.780 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.640 -5.027 -17.207 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.244 -3.583 -16.755 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.704 -5.835 -15.015 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.528 -4.136 -14.623 1.00 0.00 H new ATOM 179 N GLU A 12 -2.563 -7.645 -15.178 1.00 0.00 N ATOM 180 CA GLU A 12 -3.271 -8.915 -15.045 1.00 0.00 C ATOM 181 C GLU A 12 -4.365 -8.860 -13.977 1.00 0.00 C ATOM 182 O GLU A 12 -5.157 -9.793 -13.850 1.00 0.00 O ATOM 183 CB GLU A 12 -2.285 -10.034 -14.724 1.00 0.00 C ATOM 184 CG GLU A 12 -1.604 -9.871 -13.381 1.00 0.00 C ATOM 185 CD GLU A 12 -0.165 -9.413 -13.509 1.00 0.00 C ATOM 186 OE1 GLU A 12 0.086 -8.457 -14.273 1.00 0.00 O ATOM 187 OE2 GLU A 12 0.709 -10.010 -12.846 1.00 0.00 O ATOM 0 H GLU A 12 -1.575 -7.687 -14.929 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.757 -9.116 -16.000 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.812 -10.988 -14.742 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.526 -10.074 -15.505 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.159 -9.149 -12.782 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.633 -10.820 -12.845 1.00 0.00 H new ATOM 194 N LEU A 13 -4.416 -7.770 -13.214 1.00 0.00 N ATOM 195 CA LEU A 13 -5.431 -7.624 -12.180 1.00 0.00 C ATOM 196 C LEU A 13 -6.732 -7.094 -12.773 1.00 0.00 C ATOM 197 O LEU A 13 -7.800 -7.248 -12.182 1.00 0.00 O ATOM 198 CB LEU A 13 -4.950 -6.697 -11.057 1.00 0.00 C ATOM 199 CG LEU A 13 -4.010 -7.353 -10.041 1.00 0.00 C ATOM 200 CD1 LEU A 13 -3.686 -6.390 -8.909 1.00 0.00 C ATOM 201 CD2 LEU A 13 -4.627 -8.629 -9.491 1.00 0.00 C ATOM 0 H LEU A 13 -3.772 -6.983 -13.293 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.613 -8.611 -11.755 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.441 -5.843 -11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.820 -6.309 -10.528 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.081 -7.609 -10.551 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.017 -6.876 -8.198 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.202 -5.502 -9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.607 -6.102 -8.402 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.945 -9.082 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.571 -8.394 -8.999 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.808 -9.327 -10.308 1.00 0.00 H new ATOM 213 N VAL A 14 -6.639 -6.477 -13.949 1.00 0.00 N ATOM 214 CA VAL A 14 -7.815 -5.931 -14.617 1.00 0.00 C ATOM 215 C VAL A 14 -8.870 -7.014 -14.830 1.00 0.00 C ATOM 216 O VAL A 14 -8.652 -7.966 -15.579 1.00 0.00 O ATOM 217 CB VAL A 14 -7.446 -5.310 -15.977 1.00 0.00 C ATOM 218 CG1 VAL A 14 -8.662 -4.658 -16.622 1.00 0.00 C ATOM 219 CG2 VAL A 14 -6.312 -4.307 -15.817 1.00 0.00 C ATOM 0 H VAL A 14 -5.764 -6.344 -14.456 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.221 -5.153 -13.971 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.104 -6.108 -16.636 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.377 -4.226 -17.581 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.437 -5.408 -16.777 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.043 -3.872 -15.969 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.065 -3.879 -16.789 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.622 -3.512 -15.138 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.436 -4.811 -15.409 1.00 0.00 H new ATOM 229 N GLY A 15 -10.007 -6.871 -14.158 1.00 0.00 N ATOM 230 CA GLY A 15 -11.068 -7.850 -14.284 1.00 0.00 C ATOM 231 C GLY A 15 -11.249 -8.671 -13.020 1.00 0.00 C ATOM 232 O GLY A 15 -12.203 -9.441 -12.905 1.00 0.00 O ATOM 0 H GLY A 15 -10.212 -6.095 -13.529 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.002 -7.341 -14.521 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.847 -8.516 -15.118 1.00 0.00 H new ATOM 236 N LYS A 16 -10.334 -8.506 -12.068 1.00 0.00 N ATOM 237 CA LYS A 16 -10.406 -9.238 -10.809 1.00 0.00 C ATOM 238 C LYS A 16 -11.011 -8.366 -9.711 1.00 0.00 C ATOM 239 O LYS A 16 -10.996 -7.140 -9.802 1.00 0.00 O ATOM 240 CB LYS A 16 -9.013 -9.716 -10.393 1.00 0.00 C ATOM 241 CG LYS A 16 -8.699 -11.136 -10.838 1.00 0.00 C ATOM 242 CD LYS A 16 -8.536 -12.071 -9.650 1.00 0.00 C ATOM 243 CE LYS A 16 -7.666 -13.269 -9.998 1.00 0.00 C ATOM 244 NZ LYS A 16 -6.950 -13.801 -8.807 1.00 0.00 N ATOM 0 H LYS A 16 -9.537 -7.874 -12.145 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.049 -10.106 -10.954 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.266 -9.040 -10.810 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.926 -9.657 -9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.499 -11.501 -11.482 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.785 -11.138 -11.432 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.092 -11.527 -8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.516 -12.415 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.286 -14.055 -10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.941 -12.982 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.268 -14.526 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.445 -13.026 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.636 -14.223 -8.149 1.00 0.00 H new ATOM 258 N SER A 17 -11.548 -9.004 -8.675 1.00 0.00 N ATOM 259 CA SER A 17 -12.159 -8.275 -7.566 1.00 0.00 C ATOM 260 C SER A 17 -11.166 -7.305 -6.939 1.00 0.00 C ATOM 261 O SER A 17 -9.993 -7.632 -6.762 1.00 0.00 O ATOM 262 CB SER A 17 -12.668 -9.246 -6.499 1.00 0.00 C ATOM 263 OG SER A 17 -11.603 -9.708 -5.687 1.00 0.00 O ATOM 0 H SER A 17 -11.573 -10.019 -8.579 1.00 0.00 H new ATOM 0 HA SER A 17 -13.000 -7.708 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.416 -8.752 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.160 -10.093 -6.977 1.00 0.00 H new ATOM 0 HG SER A 17 -11.815 -9.542 -4.745 1.00 0.00 H new ATOM 269 N GLY A 18 -11.645 -6.114 -6.595 1.00 0.00 N ATOM 270 CA GLY A 18 -10.788 -5.113 -5.985 1.00 0.00 C ATOM 271 C GLY A 18 -10.025 -5.652 -4.790 1.00 0.00 C ATOM 272 O GLY A 18 -8.923 -5.191 -4.489 1.00 0.00 O ATOM 0 H GLY A 18 -12.614 -5.823 -6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.080 -4.744 -6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.394 -4.263 -5.672 1.00 0.00 H new ATOM 276 N ASN A 19 -10.609 -6.634 -4.105 1.00 0.00 N ATOM 277 CA ASN A 19 -9.967 -7.228 -2.937 1.00 0.00 C ATOM 278 C ASN A 19 -8.818 -8.134 -3.358 1.00 0.00 C ATOM 279 O ASN A 19 -7.721 -8.060 -2.803 1.00 0.00 O ATOM 280 CB ASN A 19 -10.983 -8.017 -2.107 1.00 0.00 C ATOM 281 CG ASN A 19 -10.896 -7.691 -0.627 1.00 0.00 C ATOM 282 OD1 ASN A 19 -11.809 -7.095 -0.056 1.00 0.00 O ATOM 283 ND2 ASN A 19 -9.794 -8.082 0.001 1.00 0.00 N ATOM 0 H ASN A 19 -11.519 -7.032 -4.338 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.567 -6.421 -2.323 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.989 -7.800 -2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.816 -9.084 -2.252 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.679 -7.891 0.996 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.062 -8.574 -0.512 1.00 0.00 H new ATOM 290 N MET A 20 -9.072 -8.984 -4.347 1.00 0.00 N ATOM 291 CA MET A 20 -8.046 -9.890 -4.842 1.00 0.00 C ATOM 292 C MET A 20 -6.920 -9.093 -5.485 1.00 0.00 C ATOM 293 O MET A 20 -5.750 -9.467 -5.402 1.00 0.00 O ATOM 294 CB MET A 20 -8.638 -10.877 -5.851 1.00 0.00 C ATOM 295 CG MET A 20 -7.738 -12.066 -6.138 1.00 0.00 C ATOM 296 SD MET A 20 -7.913 -13.379 -4.915 1.00 0.00 S ATOM 297 CE MET A 20 -6.231 -13.509 -4.315 1.00 0.00 C ATOM 0 H MET A 20 -9.973 -9.064 -4.818 1.00 0.00 H new ATOM 0 HA MET A 20 -7.647 -10.458 -4.002 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.595 -11.239 -5.474 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.841 -10.352 -6.784 1.00 0.00 H new ATOM 0 HG2 MET A 20 -7.970 -12.462 -7.127 1.00 0.00 H new ATOM 0 HG3 MET A 20 -6.700 -11.734 -6.163 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.177 -14.283 -3.550 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.569 -13.768 -5.141 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.922 -12.555 -3.888 1.00 0.00 H new ATOM 307 N ALA A 21 -7.285 -7.977 -6.110 1.00 0.00 N ATOM 308 CA ALA A 21 -6.312 -7.107 -6.752 1.00 0.00 C ATOM 309 C ALA A 21 -5.400 -6.473 -5.711 1.00 0.00 C ATOM 310 O ALA A 21 -4.187 -6.688 -5.717 1.00 0.00 O ATOM 311 CB ALA A 21 -7.020 -6.034 -7.565 1.00 0.00 C ATOM 0 H ALA A 21 -8.250 -7.656 -6.184 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.700 -7.706 -7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.280 -5.390 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.636 -6.505 -8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.652 -5.437 -6.907 1.00 0.00 H new ATOM 317 N ALA A 22 -5.995 -5.704 -4.797 1.00 0.00 N ATOM 318 CA ALA A 22 -5.230 -5.056 -3.738 1.00 0.00 C ATOM 319 C ALA A 22 -4.339 -6.069 -3.031 1.00 0.00 C ATOM 320 O ALA A 22 -3.171 -5.799 -2.748 1.00 0.00 O ATOM 321 CB ALA A 22 -6.165 -4.379 -2.744 1.00 0.00 C ATOM 0 H ALA A 22 -6.997 -5.518 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.595 -4.292 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.578 -3.900 -1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.762 -3.627 -3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.825 -5.124 -2.299 1.00 0.00 H new ATOM 327 N ALA A 23 -4.900 -7.245 -2.765 1.00 0.00 N ATOM 328 CA ALA A 23 -4.159 -8.310 -2.109 1.00 0.00 C ATOM 329 C ALA A 23 -2.962 -8.723 -2.954 1.00 0.00 C ATOM 330 O ALA A 23 -1.853 -8.862 -2.446 1.00 0.00 O ATOM 331 CB ALA A 23 -5.067 -9.503 -1.850 1.00 0.00 C ATOM 0 H ALA A 23 -5.865 -7.482 -2.995 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.792 -7.940 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.499 -10.293 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.894 -9.198 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.459 -9.874 -2.797 1.00 0.00 H new ATOM 337 N THR A 24 -3.194 -8.905 -4.252 1.00 0.00 N ATOM 338 CA THR A 24 -2.131 -9.294 -5.173 1.00 0.00 C ATOM 339 C THR A 24 -0.989 -8.293 -5.134 1.00 0.00 C ATOM 340 O THR A 24 0.177 -8.673 -5.165 1.00 0.00 O ATOM 341 CB THR A 24 -2.678 -9.417 -6.595 1.00 0.00 C ATOM 342 OG1 THR A 24 -3.741 -10.355 -6.641 1.00 0.00 O ATOM 343 CG2 THR A 24 -1.636 -9.856 -7.602 1.00 0.00 C ATOM 0 H THR A 24 -4.108 -8.789 -4.689 1.00 0.00 H new ATOM 0 HA THR A 24 -1.747 -10.264 -4.859 1.00 0.00 H new ATOM 0 HB THR A 24 -3.019 -8.417 -6.862 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.555 -9.944 -6.283 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.091 -9.923 -8.590 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.824 -9.130 -7.625 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.243 -10.832 -7.317 1.00 0.00 H new ATOM 351 N VAL A 25 -1.327 -7.013 -5.061 1.00 0.00 N ATOM 352 CA VAL A 25 -0.313 -5.969 -5.013 1.00 0.00 C ATOM 353 C VAL A 25 0.499 -6.044 -3.725 1.00 0.00 C ATOM 354 O VAL A 25 1.727 -6.122 -3.760 1.00 0.00 O ATOM 355 CB VAL A 25 -0.941 -4.566 -5.147 1.00 0.00 C ATOM 356 CG1 VAL A 25 0.134 -3.492 -5.186 1.00 0.00 C ATOM 357 CG2 VAL A 25 -1.821 -4.494 -6.385 1.00 0.00 C ATOM 0 H VAL A 25 -2.289 -6.674 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 25 0.353 -6.136 -5.859 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.564 -4.385 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.334 -2.512 -5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.718 -3.528 -4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.790 -3.665 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.256 -3.498 -6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.220 -4.699 -7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.618 -5.233 -6.308 1.00 0.00 H new ATOM 367 N GLU A 26 -0.185 -6.015 -2.588 1.00 0.00 N ATOM 368 CA GLU A 26 0.490 -6.073 -1.298 1.00 0.00 C ATOM 369 C GLU A 26 1.206 -7.408 -1.097 1.00 0.00 C ATOM 370 O GLU A 26 2.180 -7.488 -0.349 1.00 0.00 O ATOM 371 CB GLU A 26 -0.512 -5.835 -0.168 1.00 0.00 C ATOM 372 CG GLU A 26 -0.970 -4.389 -0.072 1.00 0.00 C ATOM 373 CD GLU A 26 -2.296 -4.236 0.645 1.00 0.00 C ATOM 374 OE1 GLU A 26 -2.569 -5.034 1.567 1.00 0.00 O ATOM 375 OE2 GLU A 26 -3.059 -3.315 0.287 1.00 0.00 O ATOM 0 H GLU A 26 -1.202 -5.952 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 26 1.244 -5.286 -1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.381 -6.476 -0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.060 -6.130 0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.211 -3.807 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.056 -3.973 -1.076 1.00 0.00 H new ATOM 382 N ARG A 27 0.723 -8.456 -1.762 1.00 0.00 N ATOM 383 CA ARG A 27 1.335 -9.778 -1.640 1.00 0.00 C ATOM 384 C ARG A 27 2.531 -9.921 -2.578 1.00 0.00 C ATOM 385 O ARG A 27 3.641 -10.218 -2.139 1.00 0.00 O ATOM 386 CB ARG A 27 0.308 -10.878 -1.926 1.00 0.00 C ATOM 387 CG ARG A 27 0.243 -11.942 -0.843 1.00 0.00 C ATOM 388 CD ARG A 27 0.569 -13.322 -1.392 1.00 0.00 C ATOM 389 NE ARG A 27 -0.265 -13.662 -2.542 1.00 0.00 N ATOM 390 CZ ARG A 27 -0.164 -14.804 -3.218 1.00 0.00 C ATOM 391 NH1 ARG A 27 0.730 -15.717 -2.861 1.00 0.00 N ATOM 392 NH2 ARG A 27 -0.962 -15.035 -4.252 1.00 0.00 N ATOM 0 H ARG A 27 -0.083 -8.417 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 27 1.689 -9.885 -0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.677 -10.424 -2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.551 -11.353 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.943 -11.693 -0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.754 -11.952 -0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.619 -13.359 -1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.428 -14.067 -0.609 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.965 -12.985 -2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.344 -15.545 -2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.803 -16.590 -3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.653 -14.338 -4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.885 -15.910 -4.770 1.00 0.00 H new ATOM 406 N GLU A 28 2.303 -9.701 -3.872 1.00 0.00 N ATOM 407 CA GLU A 28 3.375 -9.802 -4.857 1.00 0.00 C ATOM 408 C GLU A 28 4.446 -8.758 -4.581 1.00 0.00 C ATOM 409 O GLU A 28 5.623 -8.965 -4.869 1.00 0.00 O ATOM 410 CB GLU A 28 2.836 -9.617 -6.278 1.00 0.00 C ATOM 411 CG GLU A 28 2.292 -10.893 -6.900 1.00 0.00 C ATOM 412 CD GLU A 28 2.315 -10.850 -8.417 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.222 -9.738 -8.979 1.00 0.00 O ATOM 414 OE2 GLU A 28 2.429 -11.926 -9.041 1.00 0.00 O ATOM 0 H GLU A 28 1.392 -9.454 -4.259 1.00 0.00 H new ATOM 0 HA GLU A 28 3.810 -10.798 -4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.046 -8.866 -6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.633 -9.227 -6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.881 -11.743 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.269 -11.053 -6.559 1.00 0.00 H new ATOM 421 N ASN A 29 4.023 -7.630 -4.024 1.00 0.00 N ATOM 422 CA ASN A 29 4.934 -6.542 -3.710 1.00 0.00 C ATOM 423 C ASN A 29 4.778 -6.108 -2.256 1.00 0.00 C ATOM 424 O ASN A 29 4.049 -5.166 -1.947 1.00 0.00 O ATOM 425 CB ASN A 29 4.669 -5.372 -4.654 1.00 0.00 C ATOM 426 CG ASN A 29 5.628 -4.225 -4.441 1.00 0.00 C ATOM 427 OD1 ASN A 29 6.170 -4.046 -3.348 1.00 0.00 O ATOM 428 ND2 ASN A 29 5.844 -3.438 -5.490 1.00 0.00 N ATOM 0 H ASN A 29 3.050 -7.447 -3.780 1.00 0.00 H new ATOM 0 HA ASN A 29 5.960 -6.886 -3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.745 -5.717 -5.685 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.648 -5.018 -4.511 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.482 -2.646 -5.411 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.372 -3.626 -6.375 1.00 0.00 H new ATOM 435 N ARG A 30 5.477 -6.806 -1.371 1.00 0.00 N ATOM 436 CA ARG A 30 5.430 -6.517 0.058 1.00 0.00 C ATOM 437 C ARG A 30 5.926 -5.105 0.380 1.00 0.00 C ATOM 438 O ARG A 30 5.822 -4.657 1.522 1.00 0.00 O ATOM 439 CB ARG A 30 6.264 -7.546 0.824 1.00 0.00 C ATOM 440 CG ARG A 30 5.520 -8.197 1.980 1.00 0.00 C ATOM 441 CD ARG A 30 6.237 -7.978 3.303 1.00 0.00 C ATOM 442 NE ARG A 30 6.311 -9.205 4.095 1.00 0.00 N ATOM 443 CZ ARG A 30 6.989 -10.289 3.724 1.00 0.00 C ATOM 444 NH1 ARG A 30 7.653 -10.304 2.575 1.00 0.00 N ATOM 445 NH2 ARG A 30 7.006 -11.360 4.506 1.00 0.00 N ATOM 0 H ARG A 30 6.089 -7.583 -1.620 1.00 0.00 H new ATOM 0 HA ARG A 30 4.387 -6.577 0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.593 -8.322 0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.161 -7.060 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.511 -7.788 2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.420 -9.266 1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.244 -7.608 3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.717 -7.209 3.874 1.00 0.00 H new ATOM 0 HE ARG A 30 5.813 -9.232 4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.646 -9.482 1.971 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.171 -11.137 2.296 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.500 -11.353 5.391 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.525 -12.191 4.222 1.00 0.00 H new ATOM 459 N ASN A 31 6.477 -4.407 -0.612 1.00 0.00 N ATOM 460 CA ASN A 31 6.989 -3.058 -0.388 1.00 0.00 C ATOM 461 C ASN A 31 5.965 -1.983 -0.744 1.00 0.00 C ATOM 462 O ASN A 31 6.260 -0.791 -0.653 1.00 0.00 O ATOM 463 CB ASN A 31 8.266 -2.836 -1.191 1.00 0.00 C ATOM 464 CG ASN A 31 8.921 -1.506 -0.870 1.00 0.00 C ATOM 465 OD1 ASN A 31 8.614 -0.485 -1.486 1.00 0.00 O ATOM 466 ND2 ASN A 31 9.825 -1.511 0.102 1.00 0.00 N ATOM 0 H ASN A 31 6.579 -4.749 -1.568 1.00 0.00 H new ATOM 0 HA ASN A 31 7.203 -2.972 0.677 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.968 -3.644 -0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.036 -2.878 -2.256 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.296 -0.645 0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.049 -2.381 0.586 1.00 0.00 H new ATOM 473 N VAL A 32 4.764 -2.390 -1.149 1.00 0.00 N ATOM 474 CA VAL A 32 3.733 -1.424 -1.507 1.00 0.00 C ATOM 475 C VAL A 32 2.419 -1.709 -0.792 1.00 0.00 C ATOM 476 O VAL A 32 2.240 -2.772 -0.197 1.00 0.00 O ATOM 477 CB VAL A 32 3.487 -1.392 -3.028 1.00 0.00 C ATOM 478 CG1 VAL A 32 4.766 -1.031 -3.762 1.00 0.00 C ATOM 479 CG2 VAL A 32 2.940 -2.725 -3.518 1.00 0.00 C ATOM 0 H VAL A 32 4.485 -3.367 -1.236 1.00 0.00 H new ATOM 0 HA VAL A 32 4.103 -0.450 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 32 2.740 -0.626 -3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.577 -1.012 -4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.107 -0.048 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.534 -1.773 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.775 -2.677 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.656 -3.516 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.997 -2.938 -3.015 1.00 0.00 H new ATOM 489 N HIS A 33 1.504 -0.745 -0.855 1.00 0.00 N ATOM 490 CA HIS A 33 0.198 -0.878 -0.221 1.00 0.00 C ATOM 491 C HIS A 33 -0.898 -0.451 -1.203 1.00 0.00 C ATOM 492 O HIS A 33 -0.822 0.619 -1.816 1.00 0.00 O ATOM 493 CB HIS A 33 0.169 -0.058 1.082 1.00 0.00 C ATOM 494 CG HIS A 33 -1.027 0.828 1.254 1.00 0.00 C ATOM 495 ND1 HIS A 33 -2.197 0.404 1.848 1.00 0.00 N ATOM 496 CD2 HIS A 33 -1.219 2.127 0.932 1.00 0.00 C ATOM 497 CE1 HIS A 33 -3.057 1.404 1.881 1.00 0.00 C ATOM 498 NE2 HIS A 33 -2.490 2.463 1.332 1.00 0.00 N ATOM 0 H HIS A 33 1.645 0.140 -1.341 1.00 0.00 H new ATOM 0 HA HIS A 33 0.011 -1.919 0.044 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.215 -0.746 1.926 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.067 0.559 1.124 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.370 -0.535 2.206 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.506 2.779 0.450 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.056 1.363 2.288 1.00 0.00 H new ATOM 507 N ALA A 34 -1.896 -1.312 -1.379 1.00 0.00 N ATOM 508 CA ALA A 34 -2.977 -1.036 -2.311 1.00 0.00 C ATOM 509 C ALA A 34 -4.243 -0.583 -1.602 1.00 0.00 C ATOM 510 O ALA A 34 -4.574 -1.063 -0.518 1.00 0.00 O ATOM 511 CB ALA A 34 -3.261 -2.265 -3.161 1.00 0.00 C ATOM 0 H ALA A 34 -1.976 -2.203 -0.889 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.654 -0.217 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.072 -2.047 -3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.366 -2.534 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.549 -3.095 -2.516 1.00 0.00 H new ATOM 517 N ILE A 35 -4.954 0.338 -2.244 1.00 0.00 N ATOM 518 CA ILE A 35 -6.201 0.868 -1.709 1.00 0.00 C ATOM 519 C ILE A 35 -7.347 0.592 -2.676 1.00 0.00 C ATOM 520 O ILE A 35 -7.160 0.622 -3.894 1.00 0.00 O ATOM 521 CB ILE A 35 -6.100 2.383 -1.458 1.00 0.00 C ATOM 522 CG1 ILE A 35 -4.834 2.705 -0.658 1.00 0.00 C ATOM 523 CG2 ILE A 35 -7.341 2.889 -0.734 1.00 0.00 C ATOM 524 CD1 ILE A 35 -4.402 4.151 -0.763 1.00 0.00 C ATOM 0 H ILE A 35 -4.684 0.735 -3.144 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.394 0.370 -0.759 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.038 2.892 -2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.005 2.461 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.022 2.066 -1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.252 3.962 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.224 2.690 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.437 2.378 0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.500 4.305 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.198 4.395 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.196 4.796 -0.388 1.00 0.00 H new ATOM 536 N VAL A 36 -8.527 0.300 -2.135 1.00 0.00 N ATOM 537 CA VAL A 36 -9.687 0.001 -2.961 1.00 0.00 C ATOM 538 C VAL A 36 -10.582 1.222 -3.142 1.00 0.00 C ATOM 539 O VAL A 36 -10.946 1.893 -2.175 1.00 0.00 O ATOM 540 CB VAL A 36 -10.511 -1.149 -2.357 1.00 0.00 C ATOM 541 CG1 VAL A 36 -11.715 -1.473 -3.231 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.641 -2.381 -2.159 1.00 0.00 C ATOM 0 H VAL A 36 -8.702 0.265 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.309 -0.299 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.880 -0.829 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -12.281 -2.289 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.352 -0.592 -3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -11.375 -1.770 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -10.240 -3.185 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.239 -2.701 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.820 -2.142 -1.484 1.00 0.00 H new ATOM 552 N LEU A 37 -10.937 1.492 -4.394 1.00 0.00 N ATOM 553 CA LEU A 37 -11.790 2.624 -4.733 1.00 0.00 C ATOM 554 C LEU A 37 -12.476 2.407 -6.077 1.00 0.00 C ATOM 555 O LEU A 37 -11.962 1.695 -6.935 1.00 0.00 O ATOM 556 CB LEU A 37 -10.982 3.922 -4.746 1.00 0.00 C ATOM 557 CG LEU A 37 -9.494 3.771 -5.093 1.00 0.00 C ATOM 558 CD1 LEU A 37 -9.138 4.595 -6.321 1.00 0.00 C ATOM 559 CD2 LEU A 37 -8.638 4.172 -3.903 1.00 0.00 C ATOM 0 H LEU A 37 -10.643 0.936 -5.197 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.562 2.706 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.437 4.605 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.063 4.390 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.295 2.725 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.079 4.472 -6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.732 4.258 -7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.348 5.647 -6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.584 4.061 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.841 5.211 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.874 3.532 -3.053 1.00 0.00 H new ATOM 571 N LYS A 38 -13.650 3.006 -6.245 1.00 0.00 N ATOM 572 CA LYS A 38 -14.417 2.852 -7.478 1.00 0.00 C ATOM 573 C LYS A 38 -14.023 3.877 -8.541 1.00 0.00 C ATOM 574 O LYS A 38 -13.434 4.918 -8.239 1.00 0.00 O ATOM 575 CB LYS A 38 -15.916 2.968 -7.180 1.00 0.00 C ATOM 576 CG LYS A 38 -16.684 1.673 -7.389 1.00 0.00 C ATOM 577 CD LYS A 38 -17.693 1.439 -6.275 1.00 0.00 C ATOM 578 CE LYS A 38 -18.910 2.337 -6.427 1.00 0.00 C ATOM 579 NZ LYS A 38 -19.647 2.498 -5.143 1.00 0.00 N ATOM 0 H LYS A 38 -14.092 3.602 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.191 1.863 -7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.048 3.296 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.345 3.741 -7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.200 1.705 -8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.986 0.837 -7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.007 0.395 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.221 1.625 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.596 3.316 -6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.579 1.918 -7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -20.469 3.117 -5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.970 1.567 -4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.017 2.922 -4.432 1.00 0.00 H new ATOM 593 N GLU A 39 -14.373 3.570 -9.790 1.00 0.00 N ATOM 594 CA GLU A 39 -14.079 4.446 -10.921 1.00 0.00 C ATOM 595 C GLU A 39 -14.611 5.852 -10.682 1.00 0.00 C ATOM 596 O GLU A 39 -15.815 6.053 -10.516 1.00 0.00 O ATOM 597 CB GLU A 39 -14.684 3.871 -12.207 1.00 0.00 C ATOM 598 CG GLU A 39 -13.769 3.989 -13.416 1.00 0.00 C ATOM 599 CD GLU A 39 -14.250 3.162 -14.593 1.00 0.00 C ATOM 600 OE1 GLU A 39 -14.698 2.018 -14.370 1.00 0.00 O ATOM 601 OE2 GLU A 39 -14.177 3.659 -15.737 1.00 0.00 O ATOM 0 H GLU A 39 -14.865 2.713 -10.044 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.996 4.505 -11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.926 2.820 -12.046 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -15.621 4.386 -12.419 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.701 5.035 -13.715 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.764 3.671 -13.139 1.00 0.00 H new ATOM 608 N GLY A 40 -13.708 6.824 -10.669 1.00 0.00 N ATOM 609 CA GLY A 40 -14.105 8.198 -10.451 1.00 0.00 C ATOM 610 C GLY A 40 -13.878 8.653 -9.021 1.00 0.00 C ATOM 611 O GLY A 40 -14.220 9.780 -8.665 1.00 0.00 O ATOM 0 H GLY A 40 -12.707 6.683 -10.806 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.546 8.845 -11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.160 8.311 -10.701 1.00 0.00 H new ATOM 615 N SER A 41 -13.303 7.779 -8.196 1.00 0.00 N ATOM 616 CA SER A 41 -13.043 8.116 -6.803 1.00 0.00 C ATOM 617 C SER A 41 -12.038 9.254 -6.698 1.00 0.00 C ATOM 618 O SER A 41 -10.981 9.227 -7.326 1.00 0.00 O ATOM 619 CB SER A 41 -12.531 6.899 -6.034 1.00 0.00 C ATOM 620 OG SER A 41 -11.813 7.287 -4.877 1.00 0.00 O ATOM 0 H SER A 41 -13.011 6.840 -8.468 1.00 0.00 H new ATOM 0 HA SER A 41 -13.985 8.439 -6.360 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.372 6.267 -5.748 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.888 6.302 -6.680 1.00 0.00 H new ATOM 0 HG SER A 41 -12.151 6.793 -4.101 1.00 0.00 H new ATOM 626 N ALA A 42 -12.374 10.240 -5.882 1.00 0.00 N ATOM 627 CA ALA A 42 -11.504 11.392 -5.671 1.00 0.00 C ATOM 628 C ALA A 42 -10.226 10.976 -4.956 1.00 0.00 C ATOM 629 O ALA A 42 -10.117 11.110 -3.737 1.00 0.00 O ATOM 630 CB ALA A 42 -12.231 12.460 -4.868 1.00 0.00 C ATOM 0 H ALA A 42 -13.245 10.268 -5.352 1.00 0.00 H new ATOM 0 HA ALA A 42 -11.236 11.804 -6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.571 13.314 -4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.121 12.780 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.523 12.052 -3.900 1.00 0.00 H new ATOM 636 N MET A 43 -9.265 10.454 -5.714 1.00 0.00 N ATOM 637 CA MET A 43 -8.017 10.004 -5.144 1.00 0.00 C ATOM 638 C MET A 43 -6.848 10.856 -5.620 1.00 0.00 C ATOM 639 O MET A 43 -6.966 11.606 -6.589 1.00 0.00 O ATOM 640 CB MET A 43 -7.803 8.557 -5.537 1.00 0.00 C ATOM 641 CG MET A 43 -8.698 7.597 -4.771 1.00 0.00 C ATOM 642 SD MET A 43 -8.363 7.593 -3.000 1.00 0.00 S ATOM 643 CE MET A 43 -10.026 7.485 -2.345 1.00 0.00 C ATOM 0 H MET A 43 -9.335 10.336 -6.725 1.00 0.00 H new ATOM 0 HA MET A 43 -8.067 10.099 -4.059 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.989 8.445 -6.605 1.00 0.00 H new ATOM 0 HB3 MET A 43 -6.760 8.289 -5.365 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.741 7.867 -4.938 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.563 6.589 -5.164 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.988 7.473 -1.256 1.00 0.00 H new ATOM 0 HE2 MET A 43 -10.605 8.346 -2.678 1.00 0.00 H new ATOM 0 HE3 MET A 43 -10.499 6.570 -2.702 1.00 0.00 H new ATOM 653 N THR A 44 -5.724 10.745 -4.923 1.00 0.00 N ATOM 654 CA THR A 44 -4.534 11.506 -5.275 1.00 0.00 C ATOM 655 C THR A 44 -4.053 11.122 -6.668 1.00 0.00 C ATOM 656 O THR A 44 -4.456 10.094 -7.213 1.00 0.00 O ATOM 657 CB THR A 44 -3.422 11.269 -4.249 1.00 0.00 C ATOM 658 OG1 THR A 44 -3.881 10.446 -3.190 1.00 0.00 O ATOM 659 CG2 THR A 44 -2.888 12.548 -3.642 1.00 0.00 C ATOM 0 H THR A 44 -5.612 10.136 -4.112 1.00 0.00 H new ATOM 0 HA THR A 44 -4.790 12.566 -5.272 1.00 0.00 H new ATOM 0 HB THR A 44 -2.617 10.784 -4.801 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.297 10.559 -2.411 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.103 12.310 -2.924 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.479 13.181 -4.429 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.696 13.075 -3.135 1.00 0.00 H new ATOM 667 N LYS A 45 -3.194 11.954 -7.238 1.00 0.00 N ATOM 668 CA LYS A 45 -2.658 11.706 -8.569 1.00 0.00 C ATOM 669 C LYS A 45 -1.146 11.515 -8.531 1.00 0.00 C ATOM 670 O LYS A 45 -0.572 10.858 -9.399 1.00 0.00 O ATOM 671 CB LYS A 45 -3.015 12.854 -9.501 1.00 0.00 C ATOM 672 CG LYS A 45 -4.353 12.680 -10.201 1.00 0.00 C ATOM 673 CD LYS A 45 -4.338 11.490 -11.147 1.00 0.00 C ATOM 674 CE LYS A 45 -5.462 11.573 -12.170 1.00 0.00 C ATOM 675 NZ LYS A 45 -4.947 11.497 -13.565 1.00 0.00 N ATOM 0 H LYS A 45 -2.852 12.809 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.106 10.786 -8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.032 13.782 -8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.232 12.957 -10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.139 12.545 -9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.594 13.586 -10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.379 11.446 -11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.434 10.568 -10.574 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.170 10.762 -11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.008 12.506 -12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.742 11.557 -14.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.291 12.286 -13.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.447 10.595 -13.702 1.00 0.00 H new ATOM 689 N ASP A 46 -0.505 12.094 -7.520 1.00 0.00 N ATOM 690 CA ASP A 46 0.942 11.987 -7.369 1.00 0.00 C ATOM 691 C ASP A 46 1.394 10.532 -7.422 1.00 0.00 C ATOM 692 O ASP A 46 0.572 9.614 -7.427 1.00 0.00 O ATOM 693 CB ASP A 46 1.389 12.622 -6.049 1.00 0.00 C ATOM 694 CG ASP A 46 0.735 11.976 -4.844 1.00 0.00 C ATOM 695 OD1 ASP A 46 0.786 10.733 -4.736 1.00 0.00 O ATOM 696 OD2 ASP A 46 0.174 12.713 -4.006 1.00 0.00 O ATOM 0 H ASP A 46 -0.965 12.642 -6.793 1.00 0.00 H new ATOM 0 HA ASP A 46 1.405 12.522 -8.199 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.472 12.540 -5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.150 13.685 -6.062 1.00 0.00 H new ATOM 701 N PHE A 47 2.706 10.330 -7.461 1.00 0.00 N ATOM 702 CA PHE A 47 3.280 8.990 -7.519 1.00 0.00 C ATOM 703 C PHE A 47 3.712 8.519 -6.129 1.00 0.00 C ATOM 704 O PHE A 47 4.434 9.222 -5.421 1.00 0.00 O ATOM 705 CB PHE A 47 4.468 8.986 -8.486 1.00 0.00 C ATOM 706 CG PHE A 47 5.350 7.777 -8.372 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.058 6.625 -9.078 1.00 0.00 C ATOM 708 CD2 PHE A 47 6.466 7.793 -7.552 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.860 5.508 -8.966 1.00 0.00 C ATOM 710 CE2 PHE A 47 7.274 6.680 -7.439 1.00 0.00 C ATOM 711 CZ PHE A 47 6.969 5.536 -8.146 1.00 0.00 C ATOM 0 H PHE A 47 3.396 11.081 -7.453 1.00 0.00 H new ATOM 0 HA PHE A 47 2.521 8.296 -7.881 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.091 9.052 -9.507 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.069 9.878 -8.309 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.193 6.599 -9.724 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.707 8.686 -6.995 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.620 4.612 -9.520 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.143 6.705 -6.798 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.598 4.662 -8.058 1.00 0.00 H new ATOM 721 N ARG A 48 3.260 7.326 -5.749 1.00 0.00 N ATOM 722 CA ARG A 48 3.588 6.750 -4.448 1.00 0.00 C ATOM 723 C ARG A 48 3.765 5.238 -4.562 1.00 0.00 C ATOM 724 O ARG A 48 2.802 4.509 -4.807 1.00 0.00 O ATOM 725 CB ARG A 48 2.489 7.063 -3.430 1.00 0.00 C ATOM 726 CG ARG A 48 2.591 8.451 -2.820 1.00 0.00 C ATOM 727 CD ARG A 48 1.607 8.623 -1.674 1.00 0.00 C ATOM 728 NE ARG A 48 2.068 7.959 -0.456 1.00 0.00 N ATOM 729 CZ ARG A 48 2.878 8.520 0.438 1.00 0.00 C ATOM 730 NH1 ARG A 48 3.325 9.757 0.258 1.00 0.00 N ATOM 731 NH2 ARG A 48 3.247 7.840 1.515 1.00 0.00 N ATOM 0 H ARG A 48 2.662 6.737 -6.328 1.00 0.00 H new ATOM 0 HA ARG A 48 4.524 7.193 -4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.518 6.961 -3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.526 6.322 -2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.606 8.619 -2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.397 9.202 -3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.462 9.685 -1.476 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.638 8.218 -1.964 1.00 0.00 H new ATOM 0 HE ARG A 48 1.749 7.006 -0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.048 10.284 -0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.946 10.180 0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.910 6.888 1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.868 8.269 2.201 1.00 0.00 H new ATOM 745 N CYS A 49 4.999 4.774 -4.394 1.00 0.00 N ATOM 746 CA CYS A 49 5.296 3.348 -4.481 1.00 0.00 C ATOM 747 C CYS A 49 4.520 2.559 -3.435 1.00 0.00 C ATOM 748 O CYS A 49 4.095 1.437 -3.689 1.00 0.00 O ATOM 749 CB CYS A 49 6.795 3.099 -4.303 1.00 0.00 C ATOM 750 SG CYS A 49 7.860 4.188 -5.303 1.00 0.00 S ATOM 0 H CYS A 49 5.808 5.363 -4.197 1.00 0.00 H new ATOM 0 HA CYS A 49 4.990 3.008 -5.470 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.050 3.227 -3.251 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.012 2.062 -4.560 1.00 0.00 H new ATOM 755 N ASP A 50 4.340 3.142 -2.258 1.00 0.00 N ATOM 756 CA ASP A 50 3.619 2.464 -1.185 1.00 0.00 C ATOM 757 C ASP A 50 2.112 2.537 -1.394 1.00 0.00 C ATOM 758 O ASP A 50 1.345 1.964 -0.622 1.00 0.00 O ATOM 759 CB ASP A 50 3.976 3.075 0.172 1.00 0.00 C ATOM 760 CG ASP A 50 3.694 4.564 0.235 1.00 0.00 C ATOM 761 OD1 ASP A 50 4.133 5.292 -0.680 1.00 0.00 O ATOM 762 OD2 ASP A 50 3.034 5.002 1.200 1.00 0.00 O ATOM 0 H ASP A 50 4.679 4.074 -2.021 1.00 0.00 H new ATOM 0 HA ASP A 50 3.920 1.417 -1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.410 2.569 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.032 2.900 0.378 1.00 0.00 H new ATOM 767 N ARG A 51 1.686 3.240 -2.437 1.00 0.00 N ATOM 768 CA ARG A 51 0.269 3.376 -2.718 1.00 0.00 C ATOM 769 C ARG A 51 -0.079 2.887 -4.117 1.00 0.00 C ATOM 770 O ARG A 51 0.547 3.277 -5.103 1.00 0.00 O ATOM 771 CB ARG A 51 -0.156 4.833 -2.559 1.00 0.00 C ATOM 772 CG ARG A 51 -1.655 5.016 -2.409 1.00 0.00 C ATOM 773 CD ARG A 51 -2.039 6.483 -2.457 1.00 0.00 C ATOM 774 NE ARG A 51 -1.873 7.054 -3.792 1.00 0.00 N ATOM 775 CZ ARG A 51 -1.491 8.310 -4.023 1.00 0.00 C ATOM 776 NH1 ARG A 51 -1.242 9.137 -3.014 1.00 0.00 N ATOM 777 NH2 ARG A 51 -1.363 8.742 -5.269 1.00 0.00 N ATOM 0 H ARG A 51 2.299 3.720 -3.096 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.271 2.755 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.342 5.255 -1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.186 5.399 -3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.171 4.477 -3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.984 4.583 -1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.076 6.596 -2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.428 7.040 -1.747 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.061 6.455 -4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.343 8.813 -2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.950 10.096 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.557 8.114 -6.049 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.071 9.703 -5.448 1.00 0.00 H new ATOM 791 N VAL A 52 -1.095 2.037 -4.190 1.00 0.00 N ATOM 792 CA VAL A 52 -1.565 1.500 -5.459 1.00 0.00 C ATOM 793 C VAL A 52 -3.086 1.602 -5.519 1.00 0.00 C ATOM 794 O VAL A 52 -3.782 1.043 -4.671 1.00 0.00 O ATOM 795 CB VAL A 52 -1.131 0.032 -5.662 1.00 0.00 C ATOM 796 CG1 VAL A 52 -1.659 -0.505 -6.984 1.00 0.00 C ATOM 797 CG2 VAL A 52 0.386 -0.092 -5.598 1.00 0.00 C ATOM 0 H VAL A 52 -1.613 1.703 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.116 2.088 -6.259 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.557 -0.566 -4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.343 -1.541 -7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.748 -0.455 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.265 0.096 -7.804 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.672 -1.134 -5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.834 0.520 -6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.738 0.249 -4.624 1.00 0.00 H new ATOM 807 N TRP A 53 -3.601 2.334 -6.506 1.00 0.00 N ATOM 808 CA TRP A 53 -5.046 2.521 -6.635 1.00 0.00 C ATOM 809 C TRP A 53 -5.708 1.306 -7.263 1.00 0.00 C ATOM 810 O TRP A 53 -5.278 0.812 -8.305 1.00 0.00 O ATOM 811 CB TRP A 53 -5.373 3.755 -7.496 1.00 0.00 C ATOM 812 CG TRP A 53 -5.070 5.093 -6.877 1.00 0.00 C ATOM 813 CD1 TRP A 53 -4.583 6.196 -7.519 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.248 5.477 -5.514 1.00 0.00 C ATOM 815 NE1 TRP A 53 -4.463 7.240 -6.634 1.00 0.00 N ATOM 816 CE2 TRP A 53 -4.843 6.815 -5.394 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.704 4.818 -4.386 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -4.879 7.500 -4.185 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -5.743 5.495 -3.186 1.00 0.00 C ATOM 820 CH2 TRP A 53 -5.327 6.823 -3.091 1.00 0.00 C ATOM 0 H TRP A 53 -3.046 2.803 -7.222 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.434 2.665 -5.626 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.820 3.677 -8.432 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.433 3.726 -7.749 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.330 6.241 -8.568 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.142 8.180 -6.866 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.025 3.788 -4.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.564 8.531 -4.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.102 4.988 -2.303 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.361 7.323 -2.134 1.00 0.00 H new ATOM 831 N VAL A 54 -6.774 0.846 -6.623 1.00 0.00 N ATOM 832 CA VAL A 54 -7.532 -0.290 -7.106 1.00 0.00 C ATOM 833 C VAL A 54 -8.916 0.182 -7.532 1.00 0.00 C ATOM 834 O VAL A 54 -9.868 0.135 -6.754 1.00 0.00 O ATOM 835 CB VAL A 54 -7.652 -1.375 -6.018 1.00 0.00 C ATOM 836 CG1 VAL A 54 -8.649 -2.457 -6.420 1.00 0.00 C ATOM 837 CG2 VAL A 54 -6.288 -1.979 -5.718 1.00 0.00 C ATOM 0 H VAL A 54 -7.133 1.251 -5.758 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.012 -0.728 -7.958 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.029 -0.902 -5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.710 -3.207 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.631 -2.009 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.319 -2.930 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.390 -2.743 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.882 -2.429 -6.624 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.613 -1.198 -5.367 1.00 0.00 H new ATOM 847 N ILE A 55 -9.006 0.667 -8.763 1.00 0.00 N ATOM 848 CA ILE A 55 -10.258 1.181 -9.295 1.00 0.00 C ATOM 849 C ILE A 55 -11.171 0.059 -9.761 1.00 0.00 C ATOM 850 O ILE A 55 -10.832 -0.716 -10.658 1.00 0.00 O ATOM 851 CB ILE A 55 -10.011 2.171 -10.451 1.00 0.00 C ATOM 852 CG1 ILE A 55 -8.845 3.109 -10.116 1.00 0.00 C ATOM 853 CG2 ILE A 55 -11.265 2.978 -10.734 1.00 0.00 C ATOM 854 CD1 ILE A 55 -7.506 2.640 -10.648 1.00 0.00 C ATOM 0 H ILE A 55 -8.222 0.715 -9.414 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.753 1.711 -8.481 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.753 1.599 -11.343 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.059 4.098 -10.521 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.777 3.216 -9.033 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.074 3.672 -11.552 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.076 2.305 -11.011 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.547 3.538 -9.842 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.733 3.356 -10.370 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.267 1.665 -10.223 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.554 2.561 -11.734 1.00 0.00 H new ATOM 866 N VAL A 56 -12.332 -0.024 -9.127 1.00 0.00 N ATOM 867 CA VAL A 56 -13.308 -1.046 -9.447 1.00 0.00 C ATOM 868 C VAL A 56 -14.646 -0.429 -9.836 1.00 0.00 C ATOM 869 O VAL A 56 -14.891 0.754 -9.600 1.00 0.00 O ATOM 870 CB VAL A 56 -13.519 -2.006 -8.256 1.00 0.00 C ATOM 871 CG1 VAL A 56 -12.236 -2.759 -7.934 1.00 0.00 C ATOM 872 CG2 VAL A 56 -14.008 -1.242 -7.036 1.00 0.00 C ATOM 0 H VAL A 56 -12.619 0.612 -8.383 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.916 -1.608 -10.295 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.280 -2.734 -8.537 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.409 -3.429 -7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.928 -3.340 -8.803 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.451 -2.048 -7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.151 -1.934 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.270 -0.490 -6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.954 -0.753 -7.268 1.00 0.00 H new ATOM 882 N ASN A 57 -15.513 -1.242 -10.425 1.00 0.00 N ATOM 883 CA ASN A 57 -16.830 -0.777 -10.841 1.00 0.00 C ATOM 884 C ASN A 57 -17.842 -0.945 -9.713 1.00 0.00 C ATOM 885 O ASN A 57 -17.480 -1.280 -8.586 1.00 0.00 O ATOM 886 CB ASN A 57 -17.295 -1.533 -12.089 1.00 0.00 C ATOM 887 CG ASN A 57 -17.454 -3.020 -11.843 1.00 0.00 C ATOM 888 OD1 ASN A 57 -17.512 -3.471 -10.699 1.00 0.00 O ATOM 889 ND2 ASN A 57 -17.524 -3.792 -12.921 1.00 0.00 N ATOM 0 H ASN A 57 -15.329 -2.225 -10.625 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.757 0.283 -11.083 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.246 -1.120 -12.426 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.576 -1.376 -12.893 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.630 -4.801 -12.819 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -17.472 -3.376 -13.851 1.00 0.00 H new ATOM 896 N ASP A 58 -19.110 -0.698 -10.020 1.00 0.00 N ATOM 897 CA ASP A 58 -20.172 -0.813 -9.027 1.00 0.00 C ATOM 898 C ASP A 58 -20.238 -2.223 -8.443 1.00 0.00 C ATOM 899 O ASP A 58 -20.750 -2.423 -7.341 1.00 0.00 O ATOM 900 CB ASP A 58 -21.523 -0.445 -9.650 1.00 0.00 C ATOM 901 CG ASP A 58 -22.150 0.771 -8.993 1.00 0.00 C ATOM 902 OD1 ASP A 58 -21.429 1.769 -8.781 1.00 0.00 O ATOM 903 OD2 ASP A 58 -23.361 0.725 -8.692 1.00 0.00 O ATOM 0 H ASP A 58 -19.428 -0.417 -10.948 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.946 -0.119 -8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.389 -0.251 -10.714 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.203 -1.293 -9.564 1.00 0.00 H new ATOM 908 N HIS A 59 -19.731 -3.200 -9.190 1.00 0.00 N ATOM 909 CA HIS A 59 -19.747 -4.593 -8.746 1.00 0.00 C ATOM 910 C HIS A 59 -18.483 -4.958 -7.968 1.00 0.00 C ATOM 911 O HIS A 59 -18.310 -6.110 -7.566 1.00 0.00 O ATOM 912 CB HIS A 59 -19.894 -5.523 -9.950 1.00 0.00 C ATOM 913 CG HIS A 59 -20.160 -6.949 -9.575 1.00 0.00 C ATOM 914 ND1 HIS A 59 -19.397 -8.003 -10.032 1.00 0.00 N ATOM 915 CD2 HIS A 59 -21.112 -7.493 -8.778 1.00 0.00 C ATOM 916 CE1 HIS A 59 -19.867 -9.133 -9.533 1.00 0.00 C ATOM 917 NE2 HIS A 59 -20.906 -8.851 -8.770 1.00 0.00 N ATOM 0 H HIS A 59 -19.304 -3.054 -10.105 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.599 -4.714 -8.077 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -20.708 -5.163 -10.580 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -18.984 -5.477 -10.548 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -21.887 -6.959 -8.249 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -19.468 -10.120 -9.718 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -21.466 -9.532 -8.257 1.00 0.00 H new ATOM 926 N GLY A 60 -17.603 -3.984 -7.754 1.00 0.00 N ATOM 927 CA GLY A 60 -16.376 -4.250 -7.027 1.00 0.00 C ATOM 928 C GLY A 60 -15.348 -4.964 -7.882 1.00 0.00 C ATOM 929 O GLY A 60 -14.470 -5.655 -7.365 1.00 0.00 O ATOM 0 H GLY A 60 -17.717 -3.021 -8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.957 -3.310 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.600 -4.856 -6.149 1.00 0.00 H new ATOM 933 N VAL A 61 -15.455 -4.786 -9.196 1.00 0.00 N ATOM 934 CA VAL A 61 -14.531 -5.405 -10.136 1.00 0.00 C ATOM 935 C VAL A 61 -13.484 -4.398 -10.584 1.00 0.00 C ATOM 936 O VAL A 61 -13.817 -3.268 -10.925 1.00 0.00 O ATOM 937 CB VAL A 61 -15.276 -5.942 -11.374 1.00 0.00 C ATOM 938 CG1 VAL A 61 -14.338 -6.732 -12.271 1.00 0.00 C ATOM 939 CG2 VAL A 61 -16.465 -6.793 -10.955 1.00 0.00 C ATOM 0 H VAL A 61 -16.177 -4.214 -9.634 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.047 -6.238 -9.626 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.648 -5.090 -11.943 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.887 -7.100 -13.137 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.525 -6.088 -12.604 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.928 -7.576 -11.716 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.978 -7.163 -11.842 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -16.117 -7.637 -10.359 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -17.153 -6.190 -10.363 1.00 0.00 H new ATOM 949 N VAL A 62 -12.217 -4.796 -10.570 1.00 0.00 N ATOM 950 CA VAL A 62 -11.146 -3.898 -10.981 1.00 0.00 C ATOM 951 C VAL A 62 -11.231 -3.614 -12.474 1.00 0.00 C ATOM 952 O VAL A 62 -10.965 -4.487 -13.301 1.00 0.00 O ATOM 953 CB VAL A 62 -9.755 -4.474 -10.647 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.661 -3.479 -11.009 1.00 0.00 C ATOM 955 CG2 VAL A 62 -9.672 -4.852 -9.176 1.00 0.00 C ATOM 0 H VAL A 62 -11.909 -5.725 -10.282 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.274 -2.970 -10.424 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.606 -5.376 -11.241 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.687 -3.904 -10.766 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.706 -3.262 -12.076 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.806 -2.558 -10.445 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.683 -5.257 -8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.844 -3.968 -8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.429 -5.603 -8.950 1.00 0.00 H new ATOM 965 N THR A 63 -11.616 -2.388 -12.814 1.00 0.00 N ATOM 966 CA THR A 63 -11.747 -1.994 -14.211 1.00 0.00 C ATOM 967 C THR A 63 -10.464 -1.353 -14.724 1.00 0.00 C ATOM 968 O THR A 63 -10.110 -1.502 -15.894 1.00 0.00 O ATOM 969 CB THR A 63 -12.917 -1.028 -14.386 1.00 0.00 C ATOM 970 OG1 THR A 63 -12.658 0.200 -13.730 1.00 0.00 O ATOM 971 CG2 THR A 63 -14.226 -1.571 -13.852 1.00 0.00 C ATOM 0 H THR A 63 -11.842 -1.653 -12.144 1.00 0.00 H new ATOM 0 HA THR A 63 -11.938 -2.895 -14.794 1.00 0.00 H new ATOM 0 HB THR A 63 -13.015 -0.885 -15.462 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.364 0.843 -13.949 1.00 0.00 H new ATOM 0 HG21 THR A 63 -15.015 -0.836 -14.008 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.479 -2.492 -14.377 1.00 0.00 H new ATOM 0 HG23 THR A 63 -14.127 -1.777 -12.786 1.00 0.00 H new ATOM 979 N SER A 64 -9.773 -0.637 -13.847 1.00 0.00 N ATOM 980 CA SER A 64 -8.533 0.022 -14.223 1.00 0.00 C ATOM 981 C SER A 64 -7.329 -0.761 -13.719 1.00 0.00 C ATOM 982 O SER A 64 -7.428 -1.533 -12.763 1.00 0.00 O ATOM 983 CB SER A 64 -8.493 1.450 -13.679 1.00 0.00 C ATOM 984 OG SER A 64 -7.375 2.158 -14.183 1.00 0.00 O ATOM 0 H SER A 64 -10.050 -0.499 -12.875 1.00 0.00 H new ATOM 0 HA SER A 64 -8.492 0.061 -15.312 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.410 1.972 -13.952 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.451 1.426 -12.590 1.00 0.00 H new ATOM 0 HG SER A 64 -7.458 3.107 -13.953 1.00 0.00 H new ATOM 990 N VAL A 65 -6.191 -0.551 -14.366 1.00 0.00 N ATOM 991 CA VAL A 65 -4.959 -1.231 -13.995 1.00 0.00 C ATOM 992 C VAL A 65 -4.435 -0.738 -12.654 1.00 0.00 C ATOM 993 O VAL A 65 -4.182 0.452 -12.487 1.00 0.00 O ATOM 994 CB VAL A 65 -3.856 -1.007 -15.039 1.00 0.00 C ATOM 995 CG1 VAL A 65 -2.758 -2.046 -14.884 1.00 0.00 C ATOM 996 CG2 VAL A 65 -4.424 -1.026 -16.451 1.00 0.00 C ATOM 0 H VAL A 65 -6.096 0.089 -15.155 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.204 -2.291 -13.934 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.424 -0.021 -14.869 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.984 -1.872 -15.632 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.323 -1.970 -13.888 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.178 -3.042 -15.021 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.620 -0.865 -17.169 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.893 -1.991 -16.642 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.167 -0.235 -16.555 1.00 0.00 H new ATOM 1006 N PRO A 66 -4.238 -1.641 -11.683 1.00 0.00 N ATOM 1007 CA PRO A 66 -3.707 -1.277 -10.379 1.00 0.00 C ATOM 1008 C PRO A 66 -2.188 -1.175 -10.429 1.00 0.00 C ATOM 1009 O PRO A 66 -1.489 -2.186 -10.437 1.00 0.00 O ATOM 1010 CB PRO A 66 -4.148 -2.440 -9.495 1.00 0.00 C ATOM 1011 CG PRO A 66 -4.170 -3.616 -10.410 1.00 0.00 C ATOM 1012 CD PRO A 66 -4.491 -3.088 -11.788 1.00 0.00 C ATOM 0 HA PRO A 66 -4.058 -0.309 -10.021 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.456 -2.594 -8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.130 -2.257 -9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.207 -4.127 -10.406 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.918 -4.342 -10.090 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.861 -3.549 -12.549 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.526 -3.293 -12.063 1.00 0.00 H new ATOM 1019 N HIS A 67 -1.681 0.050 -10.493 1.00 0.00 N ATOM 1020 CA HIS A 67 -0.251 0.281 -10.566 1.00 0.00 C ATOM 1021 C HIS A 67 0.183 1.345 -9.569 1.00 0.00 C ATOM 1022 O HIS A 67 -0.549 2.300 -9.303 1.00 0.00 O ATOM 1023 CB HIS A 67 0.142 0.707 -11.982 1.00 0.00 C ATOM 1024 CG HIS A 67 -0.738 1.778 -12.550 1.00 0.00 C ATOM 1025 ND1 HIS A 67 -2.100 1.640 -12.684 1.00 0.00 N ATOM 1026 CD2 HIS A 67 -0.442 3.010 -13.019 1.00 0.00 C ATOM 1027 CE1 HIS A 67 -2.606 2.740 -13.209 1.00 0.00 C ATOM 1028 NE2 HIS A 67 -1.620 3.588 -13.421 1.00 0.00 N ATOM 0 H HIS A 67 -2.245 0.900 -10.496 1.00 0.00 H new ATOM 0 HA HIS A 67 0.255 -0.652 -10.316 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.173 1.061 -11.973 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.110 -0.164 -12.637 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.637 0.814 -12.418 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.540 3.457 -13.068 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.649 2.915 -13.427 1.00 0.00 H new ATOM 1037 N ILE A 68 1.386 1.174 -9.035 1.00 0.00 N ATOM 1038 CA ILE A 68 1.961 2.110 -8.079 1.00 0.00 C ATOM 1039 C ILE A 68 1.632 3.554 -8.471 1.00 0.00 C ATOM 1040 O ILE A 68 2.172 4.086 -9.439 1.00 0.00 O ATOM 1041 CB ILE A 68 3.495 1.893 -7.987 1.00 0.00 C ATOM 1042 CG1 ILE A 68 3.836 1.005 -6.790 1.00 0.00 C ATOM 1043 CG2 ILE A 68 4.251 3.207 -7.901 1.00 0.00 C ATOM 1044 CD1 ILE A 68 5.279 0.553 -6.768 1.00 0.00 C ATOM 0 H ILE A 68 1.990 0.382 -9.253 1.00 0.00 H new ATOM 0 HA ILE A 68 1.525 1.926 -7.097 1.00 0.00 H new ATOM 0 HB ILE A 68 3.809 1.394 -8.904 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.620 1.549 -5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.189 0.128 -6.802 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.321 3.008 -7.838 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.045 3.804 -8.789 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.931 3.753 -7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.451 -0.073 -5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.495 -0.018 -7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.933 1.424 -6.725 1.00 0.00 H new ATOM 1056 N THR A 69 0.715 4.167 -7.727 1.00 0.00 N ATOM 1057 CA THR A 69 0.293 5.539 -8.004 1.00 0.00 C ATOM 1058 C THR A 69 -0.168 6.233 -6.724 1.00 0.00 C ATOM 1059 O THR A 69 0.681 6.846 -6.048 1.00 0.00 O ATOM 1060 CB THR A 69 -0.840 5.544 -9.039 1.00 0.00 C ATOM 1061 OG1 THR A 69 -0.372 5.140 -10.316 1.00 0.00 O ATOM 1062 CG2 THR A 69 -1.507 6.893 -9.204 1.00 0.00 C ATOM 1063 OXT THR A 69 -1.375 6.161 -6.414 1.00 0.00 O ATOM 0 H THR A 69 0.250 3.736 -6.928 1.00 0.00 H new ATOM 0 HA THR A 69 1.147 6.085 -8.405 1.00 0.00 H new ATOM 0 HB THR A 69 -1.574 4.839 -8.648 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.316 4.162 -10.349 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.297 6.819 -9.951 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.936 7.206 -8.252 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.769 7.627 -9.528 1.00 0.00 H new TER 1071 THR A 69