USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot 180:sc= -0.27 USER MOD Set 1.2: A 53 GLN :FLIP amide:sc= -0.183 F(o=-1.2,f=-0.45) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -117:sc= 0.184 (180deg=0) USER MOD Set 2.2: A 55 ASN : amide:sc= 0.0438 K(o=0.23,f=-2.4) USER MOD Set 3.1: A 19 THR OG1 : rot -12:sc= 0.978 USER MOD Set 3.2: A 20 ASN :FLIP amide:sc= -1.08 F(o=-0.66!,f=-0.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 5:sc= 0.265 USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0823) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.0601 F(o=-1.6,f=-0.06) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS :FLIP no HE2:sc= -0.104 F(o=-1.1,f=-0.1) USER MOD Single : A 22 MET CE :methyl -154:sc= -0.331 (180deg=-1.68) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -4.5 K(o=-4.5,f=-5.6!) USER MOD Single : A 32 HIS : no HD1:sc= -11.9! C(o=-12!,f=-14!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0378 K(o=-0.038,f=-2.3!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -64:sc= 0.623 USER MOD Single : A 48 ASN : amide:sc= -0.783 K(o=-0.78,f=-1.3) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0122 F(o=-0.52,f=-0.012) USER MOD Single : A 60 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.9!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 31:sc= 0.512 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.408 -17.159 11.963 1.00 0.00 N ATOM 2 CA GLY A 1 1.849 -17.101 11.803 1.00 0.00 C ATOM 3 C GLY A 1 2.562 -16.761 13.097 1.00 0.00 C ATOM 4 O GLY A 1 2.632 -15.595 13.487 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.033 -17.395 11.051 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.166 -17.888 12.664 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.057 -16.236 12.289 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.210 -18.061 11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.098 -16.356 11.048 1.00 0.00 H new ATOM 8 N SER A 2 3.091 -17.781 13.765 1.00 0.00 N ATOM 9 CA SER A 2 3.798 -17.585 15.025 1.00 0.00 C ATOM 10 C SER A 2 5.184 -16.993 14.785 1.00 0.00 C ATOM 11 O SER A 2 5.496 -15.902 15.261 1.00 0.00 O ATOM 12 CB SER A 2 3.921 -18.911 15.777 1.00 0.00 C ATOM 13 OG SER A 2 2.658 -19.347 16.252 1.00 0.00 O ATOM 0 H SER A 2 3.043 -18.751 13.455 1.00 0.00 H new ATOM 0 HA SER A 2 3.223 -16.884 15.630 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.347 -19.668 15.118 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.608 -18.795 16.615 1.00 0.00 H new ATOM 0 HG SER A 2 2.763 -20.197 16.728 1.00 0.00 H new ATOM 19 N SER A 3 6.011 -17.723 14.043 1.00 0.00 N ATOM 20 CA SER A 3 7.365 -17.274 13.741 1.00 0.00 C ATOM 21 C SER A 3 7.378 -15.792 13.380 1.00 0.00 C ATOM 22 O SER A 3 6.388 -15.253 12.886 1.00 0.00 O ATOM 23 CB SER A 3 7.954 -18.096 12.593 1.00 0.00 C ATOM 24 OG SER A 3 7.397 -17.707 11.350 1.00 0.00 O ATOM 0 H SER A 3 5.767 -18.628 13.640 1.00 0.00 H new ATOM 0 HA SER A 3 7.976 -17.418 14.632 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.036 -17.967 12.567 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.764 -19.155 12.765 1.00 0.00 H new ATOM 0 HG SER A 3 7.791 -18.246 10.632 1.00 0.00 H new ATOM 30 N GLY A 4 8.508 -15.137 13.630 1.00 0.00 N ATOM 31 CA GLY A 4 8.631 -13.724 13.325 1.00 0.00 C ATOM 32 C GLY A 4 10.026 -13.193 13.587 1.00 0.00 C ATOM 33 O GLY A 4 10.759 -13.735 14.414 1.00 0.00 O ATOM 0 H GLY A 4 9.341 -15.561 14.039 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.373 -13.558 12.279 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.914 -13.163 13.924 1.00 0.00 H new ATOM 37 N SER A 5 10.395 -12.130 12.880 1.00 0.00 N ATOM 38 CA SER A 5 11.715 -11.528 13.036 1.00 0.00 C ATOM 39 C SER A 5 11.801 -10.204 12.283 1.00 0.00 C ATOM 40 O SER A 5 11.268 -10.068 11.182 1.00 0.00 O ATOM 41 CB SER A 5 12.797 -12.485 12.533 1.00 0.00 C ATOM 42 OG SER A 5 14.092 -11.965 12.779 1.00 0.00 O ATOM 0 H SER A 5 9.799 -11.667 12.193 1.00 0.00 H new ATOM 0 HA SER A 5 11.876 -11.334 14.096 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.690 -13.451 13.026 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.667 -12.656 11.464 1.00 0.00 H new ATOM 0 HG SER A 5 14.766 -12.596 12.450 1.00 0.00 H new ATOM 48 N SER A 6 12.475 -9.230 12.887 1.00 0.00 N ATOM 49 CA SER A 6 12.628 -7.915 12.276 1.00 0.00 C ATOM 50 C SER A 6 13.913 -7.242 12.750 1.00 0.00 C ATOM 51 O SER A 6 14.588 -7.735 13.654 1.00 0.00 O ATOM 52 CB SER A 6 11.424 -7.032 12.608 1.00 0.00 C ATOM 53 OG SER A 6 10.255 -7.497 11.957 1.00 0.00 O ATOM 0 H SER A 6 12.923 -9.327 13.798 1.00 0.00 H new ATOM 0 HA SER A 6 12.685 -8.048 11.196 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.264 -7.021 13.686 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.628 -6.005 12.306 1.00 0.00 H new ATOM 0 HG SER A 6 10.454 -8.333 11.486 1.00 0.00 H new ATOM 59 N GLY A 7 14.245 -6.112 12.133 1.00 0.00 N ATOM 60 CA GLY A 7 15.447 -5.390 12.505 1.00 0.00 C ATOM 61 C GLY A 7 15.560 -4.052 11.801 1.00 0.00 C ATOM 62 O GLY A 7 14.921 -3.826 10.773 1.00 0.00 O ATOM 0 H GLY A 7 13.703 -5.684 11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.453 -5.231 13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.320 -5.997 12.267 1.00 0.00 H new ATOM 66 N LYS A 8 16.375 -3.161 12.355 1.00 0.00 N ATOM 67 CA LYS A 8 16.570 -1.837 11.775 1.00 0.00 C ATOM 68 C LYS A 8 17.793 -1.819 10.863 1.00 0.00 C ATOM 69 O LYS A 8 18.897 -1.493 11.296 1.00 0.00 O ATOM 70 CB LYS A 8 16.730 -0.791 12.881 1.00 0.00 C ATOM 71 CG LYS A 8 15.557 -0.740 13.844 1.00 0.00 C ATOM 72 CD LYS A 8 14.486 0.226 13.367 1.00 0.00 C ATOM 73 CE LYS A 8 13.361 0.357 14.383 1.00 0.00 C ATOM 74 NZ LYS A 8 12.633 -0.928 14.574 1.00 0.00 N ATOM 0 H LYS A 8 16.912 -3.332 13.206 1.00 0.00 H new ATOM 0 HA LYS A 8 15.690 -1.595 11.180 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.640 -1.003 13.441 1.00 0.00 H new ATOM 0 HB3 LYS A 8 16.858 0.191 12.425 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.128 -1.737 13.950 1.00 0.00 H new ATOM 0 HG3 LYS A 8 15.908 -0.437 14.831 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.931 1.205 13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.080 -0.119 12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.771 0.688 15.338 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.661 1.125 14.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.794 -0.767 15.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.337 -1.300 13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.259 -1.616 15.040 1.00 0.00 H new ATOM 88 N ASN A 9 17.586 -2.168 9.597 1.00 0.00 N ATOM 89 CA ASN A 9 18.672 -2.190 8.623 1.00 0.00 C ATOM 90 C ASN A 9 18.514 -1.064 7.607 1.00 0.00 C ATOM 91 O ASN A 9 19.362 -0.177 7.509 1.00 0.00 O ATOM 92 CB ASN A 9 18.711 -3.540 7.904 1.00 0.00 C ATOM 93 CG ASN A 9 20.016 -3.762 7.162 1.00 0.00 C ATOM 94 OD1 ASN A 9 20.204 -3.036 6.066 1.00 0.00 O flip ATOM 95 ND2 ASN A 9 20.845 -4.575 7.571 1.00 0.00 N flip ATOM 0 H ASN A 9 16.677 -2.439 9.222 1.00 0.00 H new ATOM 0 HA ASN A 9 19.610 -2.043 9.158 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.569 -4.340 8.631 1.00 0.00 H new ATOM 0 HB3 ASN A 9 17.881 -3.598 7.200 1.00 0.00 H new ATOM 0 HD21 ASN A 9 20.658 -5.111 8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 9 21.719 -4.712 7.063 1.00 0.00 H new ATOM 102 N LYS A 10 17.421 -1.104 6.852 1.00 0.00 N ATOM 103 CA LYS A 10 17.149 -0.087 5.844 1.00 0.00 C ATOM 104 C LYS A 10 15.657 -0.017 5.530 1.00 0.00 C ATOM 105 O LYS A 10 15.035 -1.026 5.198 1.00 0.00 O ATOM 106 CB LYS A 10 17.936 -0.383 4.565 1.00 0.00 C ATOM 107 CG LYS A 10 18.311 0.861 3.780 1.00 0.00 C ATOM 108 CD LYS A 10 19.435 1.629 4.456 1.00 0.00 C ATOM 109 CE LYS A 10 20.796 1.043 4.112 1.00 0.00 C ATOM 110 NZ LYS A 10 21.275 1.497 2.777 1.00 0.00 N ATOM 0 H LYS A 10 16.709 -1.831 6.920 1.00 0.00 H new ATOM 0 HA LYS A 10 17.465 0.877 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 10 18.845 -0.926 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 10 17.344 -1.040 3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 10 18.617 0.578 2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 10 17.438 1.506 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 10 19.399 2.674 4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 10 19.292 1.610 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 10 21.519 1.332 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 10 20.737 -0.045 4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 22.205 1.076 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 20.598 1.199 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 21.356 2.534 2.772 1.00 0.00 H new ATOM 124 N ARG A 11 15.091 1.180 5.637 1.00 0.00 N ATOM 125 CA ARG A 11 13.673 1.381 5.364 1.00 0.00 C ATOM 126 C ARG A 11 13.266 0.693 4.064 1.00 0.00 C ATOM 127 O ARG A 11 12.224 0.042 3.994 1.00 0.00 O ATOM 128 CB ARG A 11 13.354 2.876 5.284 1.00 0.00 C ATOM 129 CG ARG A 11 13.021 3.500 6.629 1.00 0.00 C ATOM 130 CD ARG A 11 14.265 3.668 7.488 1.00 0.00 C ATOM 131 NE ARG A 11 14.578 2.457 8.241 1.00 0.00 N ATOM 132 CZ ARG A 11 15.543 2.386 9.151 1.00 0.00 C ATOM 133 NH1 ARG A 11 16.285 3.452 9.420 1.00 0.00 N ATOM 134 NH2 ARG A 11 15.768 1.248 9.795 1.00 0.00 N ATOM 0 H ARG A 11 15.592 2.025 5.911 1.00 0.00 H new ATOM 0 HA ARG A 11 13.105 0.938 6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.207 3.398 4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.513 3.024 4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.550 4.471 6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.298 2.875 7.152 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.112 3.929 6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.118 4.497 8.180 1.00 0.00 H new ATOM 0 HE ARG A 11 14.025 1.619 8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.115 4.329 8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.025 3.395 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.200 0.426 9.592 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.509 1.195 10.493 1.00 0.00 H new ATOM 148 N GLY A 12 14.096 0.843 3.036 1.00 0.00 N ATOM 149 CA GLY A 12 13.805 0.231 1.753 1.00 0.00 C ATOM 150 C GLY A 12 12.827 1.046 0.931 1.00 0.00 C ATOM 151 O GLY A 12 11.613 0.938 1.108 1.00 0.00 O ATOM 0 H GLY A 12 14.964 1.377 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 12 14.732 0.109 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.397 -0.767 1.914 1.00 0.00 H new ATOM 155 N VAL A 13 13.355 1.867 0.028 1.00 0.00 N ATOM 156 CA VAL A 13 12.520 2.705 -0.825 1.00 0.00 C ATOM 157 C VAL A 13 11.524 1.864 -1.615 1.00 0.00 C ATOM 158 O VAL A 13 11.879 0.827 -2.178 1.00 0.00 O ATOM 159 CB VAL A 13 13.371 3.531 -1.807 1.00 0.00 C ATOM 160 CG1 VAL A 13 14.278 4.490 -1.052 1.00 0.00 C ATOM 161 CG2 VAL A 13 14.185 2.613 -2.708 1.00 0.00 C ATOM 0 H VAL A 13 14.357 1.970 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 13 11.977 3.384 -0.168 1.00 0.00 H new ATOM 0 HB VAL A 13 12.702 4.120 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 13 14.872 5.065 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.671 5.169 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.942 3.924 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 13 14.781 3.213 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.846 1.997 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.512 1.971 -3.276 1.00 0.00 H new ATOM 171 N LEU A 14 10.276 2.317 -1.655 1.00 0.00 N ATOM 172 CA LEU A 14 9.226 1.606 -2.378 1.00 0.00 C ATOM 173 C LEU A 14 8.691 2.451 -3.530 1.00 0.00 C ATOM 174 O LEU A 14 8.727 3.681 -3.499 1.00 0.00 O ATOM 175 CB LEU A 14 8.086 1.237 -1.428 1.00 0.00 C ATOM 176 CG LEU A 14 8.455 0.325 -0.258 1.00 0.00 C ATOM 177 CD1 LEU A 14 7.226 0.005 0.579 1.00 0.00 C ATOM 178 CD2 LEU A 14 9.105 -0.955 -0.764 1.00 0.00 C ATOM 0 H LEU A 14 9.966 3.173 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 14 9.656 0.693 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.663 2.157 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.300 0.752 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 14 9.173 0.849 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.509 -0.645 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.803 0.929 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.485 -0.499 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.361 -1.592 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.410 -1.482 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.010 -0.709 -1.319 1.00 0.00 H new ATOM 190 N PRO A 15 8.181 1.777 -4.571 1.00 0.00 N ATOM 191 CA PRO A 15 7.625 2.445 -5.751 1.00 0.00 C ATOM 192 C PRO A 15 6.315 3.163 -5.448 1.00 0.00 C ATOM 193 O PRO A 15 5.571 2.768 -4.549 1.00 0.00 O ATOM 194 CB PRO A 15 7.390 1.294 -6.732 1.00 0.00 C ATOM 195 CG PRO A 15 7.221 0.090 -5.871 1.00 0.00 C ATOM 196 CD PRO A 15 8.105 0.310 -4.675 1.00 0.00 C ATOM 0 HA PRO A 15 8.291 3.219 -6.132 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.505 1.470 -7.344 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.232 1.178 -7.414 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.180 -0.032 -5.570 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.506 -0.816 -6.406 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.681 -0.135 -3.775 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.090 -0.134 -4.817 1.00 0.00 H new ATOM 204 N LYS A 16 6.036 4.221 -6.203 1.00 0.00 N ATOM 205 CA LYS A 16 4.815 4.994 -6.017 1.00 0.00 C ATOM 206 C LYS A 16 3.592 4.082 -5.994 1.00 0.00 C ATOM 207 O LYS A 16 2.723 4.214 -5.131 1.00 0.00 O ATOM 208 CB LYS A 16 4.669 6.032 -7.132 1.00 0.00 C ATOM 209 CG LYS A 16 3.485 6.965 -6.943 1.00 0.00 C ATOM 210 CD LYS A 16 3.282 7.861 -8.154 1.00 0.00 C ATOM 211 CE LYS A 16 1.863 8.404 -8.214 1.00 0.00 C ATOM 212 NZ LYS A 16 1.671 9.557 -7.291 1.00 0.00 N ATOM 0 H LYS A 16 6.641 4.562 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 16 4.882 5.507 -5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.582 6.624 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.565 5.516 -8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.583 6.379 -6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.643 7.580 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.989 8.690 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.497 7.300 -9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.635 8.714 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.160 7.612 -7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.691 9.899 -7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.863 9.256 -6.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.324 10.323 -7.552 1.00 0.00 H new ATOM 226 N HIS A 17 3.531 3.157 -6.946 1.00 0.00 N ATOM 227 CA HIS A 17 2.415 2.222 -7.034 1.00 0.00 C ATOM 228 C HIS A 17 2.215 1.490 -5.710 1.00 0.00 C ATOM 229 O HIS A 17 1.110 1.457 -5.169 1.00 0.00 O ATOM 230 CB HIS A 17 2.655 1.212 -8.156 1.00 0.00 C ATOM 231 CG HIS A 17 1.473 0.337 -8.438 1.00 0.00 C ATOM 232 ND1 HIS A 17 0.247 0.294 -7.865 1.00 0.00 N flip ATOM 233 CD2 HIS A 17 1.474 -0.639 -9.412 1.00 0.00 C flip ATOM 234 CE1 HIS A 17 -0.464 -0.696 -8.498 1.00 0.00 C flip ATOM 235 NE2 HIS A 17 0.299 -1.243 -9.428 1.00 0.00 N flip ATOM 0 H HIS A 17 4.241 3.035 -7.668 1.00 0.00 H new ATOM 0 HA HIS A 17 1.512 2.792 -7.255 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.924 1.749 -9.066 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.506 0.584 -7.893 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -0.086 0.887 -7.105 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.305 -0.873 -10.060 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.481 -0.981 -8.272 1.00 0.00 H new ATOM 244 N ALA A 18 3.290 0.905 -5.194 1.00 0.00 N ATOM 245 CA ALA A 18 3.232 0.175 -3.933 1.00 0.00 C ATOM 246 C ALA A 18 2.541 1.000 -2.853 1.00 0.00 C ATOM 247 O ALA A 18 1.659 0.506 -2.149 1.00 0.00 O ATOM 248 CB ALA A 18 4.633 -0.217 -3.485 1.00 0.00 C ATOM 0 H ALA A 18 4.212 0.922 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 18 2.647 -0.731 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.575 -0.761 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.093 -0.852 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.236 0.681 -3.349 1.00 0.00 H new ATOM 254 N THR A 19 2.946 2.260 -2.726 1.00 0.00 N ATOM 255 CA THR A 19 2.367 3.152 -1.730 1.00 0.00 C ATOM 256 C THR A 19 0.933 3.522 -2.091 1.00 0.00 C ATOM 257 O THR A 19 0.094 3.722 -1.214 1.00 0.00 O ATOM 258 CB THR A 19 3.196 4.442 -1.582 1.00 0.00 C ATOM 259 OG1 THR A 19 3.287 5.114 -2.843 1.00 0.00 O ATOM 260 CG2 THR A 19 4.593 4.131 -1.065 1.00 0.00 C ATOM 0 H THR A 19 3.673 2.685 -3.301 1.00 0.00 H new ATOM 0 HA THR A 19 2.373 2.614 -0.782 1.00 0.00 H new ATOM 0 HB THR A 19 2.695 5.089 -0.862 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.970 4.519 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.160 5.057 -0.969 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.521 3.646 -0.091 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.100 3.466 -1.764 1.00 0.00 H new ATOM 268 N ASN A 20 0.658 3.611 -3.388 1.00 0.00 N ATOM 269 CA ASN A 20 -0.676 3.957 -3.865 1.00 0.00 C ATOM 270 C ASN A 20 -1.714 2.969 -3.341 1.00 0.00 C ATOM 271 O ASN A 20 -2.679 3.357 -2.682 1.00 0.00 O ATOM 272 CB ASN A 20 -0.703 3.979 -5.395 1.00 0.00 C ATOM 273 CG ASN A 20 -0.369 5.347 -5.959 1.00 0.00 C ATOM 274 OD1 ASN A 20 0.748 5.912 -5.515 1.00 0.00 O flip ATOM 275 ND2 ASN A 20 -1.105 5.887 -6.784 1.00 0.00 N flip ATOM 0 H ASN A 20 1.341 3.448 -4.128 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.923 4.950 -3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.008 3.247 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.691 3.677 -5.743 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.954 5.415 -7.096 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.867 6.807 -7.155 1.00 0.00 H new ATOM 282 N VAL A 21 -1.509 1.690 -3.639 1.00 0.00 N ATOM 283 CA VAL A 21 -2.425 0.646 -3.197 1.00 0.00 C ATOM 284 C VAL A 21 -2.608 0.680 -1.684 1.00 0.00 C ATOM 285 O VAL A 21 -3.727 0.805 -1.186 1.00 0.00 O ATOM 286 CB VAL A 21 -1.926 -0.751 -3.611 1.00 0.00 C ATOM 287 CG1 VAL A 21 -2.872 -1.829 -3.102 1.00 0.00 C ATOM 288 CG2 VAL A 21 -1.774 -0.835 -5.123 1.00 0.00 C ATOM 0 H VAL A 21 -0.716 1.352 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.382 0.840 -3.681 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.948 -0.917 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.503 -2.809 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.926 -1.781 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.865 -1.670 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.421 -1.829 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.738 -0.648 -5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.054 -0.088 -5.458 1.00 0.00 H new ATOM 298 N MET A 22 -1.502 0.567 -0.957 1.00 0.00 N ATOM 299 CA MET A 22 -1.540 0.587 0.501 1.00 0.00 C ATOM 300 C MET A 22 -2.243 1.841 1.010 1.00 0.00 C ATOM 301 O MET A 22 -3.049 1.779 1.938 1.00 0.00 O ATOM 302 CB MET A 22 -0.122 0.517 1.071 1.00 0.00 C ATOM 303 CG MET A 22 0.578 -0.804 0.797 1.00 0.00 C ATOM 304 SD MET A 22 2.000 -1.073 1.874 1.00 0.00 S ATOM 305 CE MET A 22 3.346 -0.675 0.763 1.00 0.00 C ATOM 0 H MET A 22 -0.568 0.461 -1.353 1.00 0.00 H new ATOM 0 HA MET A 22 -2.102 -0.285 0.836 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.471 1.328 0.648 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.164 0.680 2.148 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.132 -1.621 0.928 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.905 -0.829 -0.243 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.246 -1.204 1.077 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.083 -0.977 -0.251 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.531 0.399 0.785 1.00 0.00 H new ATOM 315 N ARG A 23 -1.933 2.978 0.396 1.00 0.00 N ATOM 316 CA ARG A 23 -2.535 4.247 0.788 1.00 0.00 C ATOM 317 C ARG A 23 -4.054 4.189 0.664 1.00 0.00 C ATOM 318 O ARG A 23 -4.774 4.364 1.647 1.00 0.00 O ATOM 319 CB ARG A 23 -1.985 5.385 -0.075 1.00 0.00 C ATOM 320 CG ARG A 23 -0.742 6.041 0.503 1.00 0.00 C ATOM 321 CD ARG A 23 -0.259 7.187 -0.372 1.00 0.00 C ATOM 322 NE ARG A 23 0.520 8.163 0.385 1.00 0.00 N ATOM 323 CZ ARG A 23 1.398 8.992 -0.170 1.00 0.00 C ATOM 324 NH1 ARG A 23 1.606 8.964 -1.479 1.00 0.00 N ATOM 325 NH2 ARG A 23 2.068 9.853 0.586 1.00 0.00 N ATOM 0 H ARG A 23 -1.269 3.047 -0.375 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.280 4.435 1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.753 4.998 -1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.760 6.141 -0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.958 6.413 1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.050 5.299 0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.349 6.791 -1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.117 7.682 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 23 0.383 8.211 1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.091 8.305 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.281 9.602 -1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.909 9.878 1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.742 10.489 0.160 1.00 0.00 H new ATOM 339 N SER A 24 -4.535 3.944 -0.550 1.00 0.00 N ATOM 340 CA SER A 24 -5.969 3.867 -0.804 1.00 0.00 C ATOM 341 C SER A 24 -6.657 2.980 0.230 1.00 0.00 C ATOM 342 O SER A 24 -7.605 3.402 0.893 1.00 0.00 O ATOM 343 CB SER A 24 -6.232 3.328 -2.211 1.00 0.00 C ATOM 344 OG SER A 24 -7.498 3.747 -2.690 1.00 0.00 O ATOM 0 H SER A 24 -3.953 3.795 -1.374 1.00 0.00 H new ATOM 0 HA SER A 24 -6.381 4.873 -0.726 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.451 3.674 -2.888 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.186 2.239 -2.201 1.00 0.00 H new ATOM 0 HG SER A 24 -7.641 3.391 -3.592 1.00 0.00 H new ATOM 350 N TRP A 25 -6.173 1.751 0.360 1.00 0.00 N ATOM 351 CA TRP A 25 -6.740 0.803 1.313 1.00 0.00 C ATOM 352 C TRP A 25 -6.751 1.388 2.721 1.00 0.00 C ATOM 353 O TRP A 25 -7.800 1.466 3.363 1.00 0.00 O ATOM 354 CB TRP A 25 -5.947 -0.505 1.297 1.00 0.00 C ATOM 355 CG TRP A 25 -6.414 -1.495 2.320 1.00 0.00 C ATOM 356 CD1 TRP A 25 -7.368 -2.458 2.154 1.00 0.00 C ATOM 357 CD2 TRP A 25 -5.948 -1.618 3.668 1.00 0.00 C ATOM 358 NE1 TRP A 25 -7.524 -3.172 3.318 1.00 0.00 N ATOM 359 CE2 TRP A 25 -6.663 -2.677 4.261 1.00 0.00 C ATOM 360 CE3 TRP A 25 -4.995 -0.939 4.432 1.00 0.00 C ATOM 361 CZ2 TRP A 25 -6.454 -3.068 5.581 1.00 0.00 C ATOM 362 CZ3 TRP A 25 -4.789 -1.328 5.741 1.00 0.00 C ATOM 363 CH2 TRP A 25 -5.515 -2.386 6.305 1.00 0.00 C ATOM 0 H TRP A 25 -5.389 1.387 -0.182 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.769 0.599 1.016 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -6.021 -0.954 0.307 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.893 -0.285 1.469 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -7.919 -2.633 1.242 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -8.175 -3.945 3.457 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.429 -0.124 4.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.014 -3.882 6.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.056 -0.808 6.340 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -5.329 -2.668 7.331 1.00 0.00 H new ATOM 374 N LEU A 26 -5.581 1.797 3.196 1.00 0.00 N ATOM 375 CA LEU A 26 -5.456 2.376 4.530 1.00 0.00 C ATOM 376 C LEU A 26 -6.530 3.433 4.767 1.00 0.00 C ATOM 377 O LEU A 26 -7.163 3.464 5.822 1.00 0.00 O ATOM 378 CB LEU A 26 -4.068 2.992 4.712 1.00 0.00 C ATOM 379 CG LEU A 26 -3.623 3.227 6.156 1.00 0.00 C ATOM 380 CD1 LEU A 26 -3.178 1.921 6.796 1.00 0.00 C ATOM 381 CD2 LEU A 26 -2.504 4.257 6.208 1.00 0.00 C ATOM 0 H LEU A 26 -4.704 1.739 2.678 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.591 1.578 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.338 2.343 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.044 3.946 4.185 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.472 3.614 6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.865 2.107 7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.007 1.213 6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.343 1.505 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.200 4.412 7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.653 3.899 5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.857 5.199 5.789 1.00 0.00 H new ATOM 393 N PHE A 27 -6.731 4.297 3.778 1.00 0.00 N ATOM 394 CA PHE A 27 -7.729 5.356 3.878 1.00 0.00 C ATOM 395 C PHE A 27 -9.135 4.770 3.969 1.00 0.00 C ATOM 396 O PHE A 27 -9.946 5.203 4.787 1.00 0.00 O ATOM 397 CB PHE A 27 -7.631 6.294 2.673 1.00 0.00 C ATOM 398 CG PHE A 27 -6.338 7.055 2.610 1.00 0.00 C ATOM 399 CD1 PHE A 27 -5.897 7.789 3.699 1.00 0.00 C ATOM 400 CD2 PHE A 27 -5.565 7.037 1.460 1.00 0.00 C ATOM 401 CE1 PHE A 27 -4.707 8.491 3.643 1.00 0.00 C ATOM 402 CE2 PHE A 27 -4.374 7.737 1.399 1.00 0.00 C ATOM 403 CZ PHE A 27 -3.945 8.465 2.492 1.00 0.00 C ATOM 0 H PHE A 27 -6.216 4.285 2.898 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.531 5.924 4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.745 5.711 1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.459 7.002 2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.489 7.813 4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.896 6.470 0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.374 9.059 4.499 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.780 7.715 0.498 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.015 9.013 2.446 1.00 0.00 H new ATOM 413 N GLN A 28 -9.415 3.785 3.122 1.00 0.00 N ATOM 414 CA GLN A 28 -10.723 3.141 3.106 1.00 0.00 C ATOM 415 C GLN A 28 -11.069 2.575 4.479 1.00 0.00 C ATOM 416 O GLN A 28 -12.237 2.526 4.866 1.00 0.00 O ATOM 417 CB GLN A 28 -10.753 2.025 2.060 1.00 0.00 C ATOM 418 CG GLN A 28 -10.799 2.535 0.628 1.00 0.00 C ATOM 419 CD GLN A 28 -11.418 1.534 -0.328 1.00 0.00 C ATOM 420 OE1 GLN A 28 -12.627 1.303 -0.307 1.00 0.00 O ATOM 421 NE2 GLN A 28 -10.589 0.933 -1.174 1.00 0.00 N ATOM 0 H GLN A 28 -8.754 3.416 2.438 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.467 3.894 2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.871 1.397 2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.622 1.393 2.240 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.369 3.464 0.595 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.787 2.770 0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.594 1.155 -1.157 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.948 0.250 -1.841 1.00 0.00 H new ATOM 430 N HIS A 29 -10.045 2.148 5.213 1.00 0.00 N ATOM 431 CA HIS A 29 -10.241 1.586 6.544 1.00 0.00 C ATOM 432 C HIS A 29 -9.483 2.394 7.593 1.00 0.00 C ATOM 433 O HIS A 29 -9.012 1.848 8.590 1.00 0.00 O ATOM 434 CB HIS A 29 -9.782 0.128 6.578 1.00 0.00 C ATOM 435 CG HIS A 29 -10.021 -0.605 5.293 1.00 0.00 C ATOM 436 ND1 HIS A 29 -11.254 -1.102 4.929 1.00 0.00 N ATOM 437 CD2 HIS A 29 -9.176 -0.922 4.285 1.00 0.00 C ATOM 438 CE1 HIS A 29 -11.157 -1.695 3.752 1.00 0.00 C ATOM 439 NE2 HIS A 29 -9.906 -1.599 3.339 1.00 0.00 N ATOM 0 H HIS A 29 -9.072 2.181 4.908 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.305 1.630 6.776 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.718 0.096 6.813 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.302 -0.389 7.384 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.123 -0.686 4.234 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.963 -2.176 3.219 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.542 -1.968 2.461 1.00 0.00 H new ATOM 448 N ILE A 30 -9.368 3.697 7.359 1.00 0.00 N ATOM 449 CA ILE A 30 -8.668 4.580 8.283 1.00 0.00 C ATOM 450 C ILE A 30 -9.035 4.265 9.729 1.00 0.00 C ATOM 451 O ILE A 30 -8.169 4.196 10.600 1.00 0.00 O ATOM 452 CB ILE A 30 -8.982 6.060 7.995 1.00 0.00 C ATOM 453 CG1 ILE A 30 -8.200 6.965 8.950 1.00 0.00 C ATOM 454 CG2 ILE A 30 -10.476 6.318 8.117 1.00 0.00 C ATOM 455 CD1 ILE A 30 -6.739 7.107 8.587 1.00 0.00 C ATOM 0 H ILE A 30 -9.751 4.164 6.537 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.602 4.409 8.136 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.676 6.289 6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.661 7.953 8.961 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.278 6.566 9.961 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.682 7.368 7.911 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.012 5.696 7.401 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.806 6.075 9.127 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.247 7.762 9.306 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.263 6.127 8.604 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.652 7.535 7.588 1.00 0.00 H new ATOM 467 N GLY A 31 -10.328 4.074 9.977 1.00 0.00 N ATOM 468 CA GLY A 31 -10.788 3.767 11.319 1.00 0.00 C ATOM 469 C GLY A 31 -10.118 2.535 11.894 1.00 0.00 C ATOM 470 O GLY A 31 -9.715 2.524 13.058 1.00 0.00 O ATOM 0 H GLY A 31 -11.064 4.126 9.273 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.594 4.619 11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.867 3.616 11.304 1.00 0.00 H new ATOM 474 N HIS A 32 -9.999 1.492 11.078 1.00 0.00 N ATOM 475 CA HIS A 32 -9.373 0.248 11.512 1.00 0.00 C ATOM 476 C HIS A 32 -8.387 -0.259 10.465 1.00 0.00 C ATOM 477 O HIS A 32 -8.696 -1.138 9.660 1.00 0.00 O ATOM 478 CB HIS A 32 -10.438 -0.815 11.784 1.00 0.00 C ATOM 479 CG HIS A 32 -9.871 -2.163 12.105 1.00 0.00 C ATOM 480 ND1 HIS A 32 -10.323 -3.328 11.523 1.00 0.00 N ATOM 481 CD2 HIS A 32 -8.881 -2.528 12.953 1.00 0.00 C ATOM 482 CE1 HIS A 32 -9.637 -4.351 12.000 1.00 0.00 C ATOM 483 NE2 HIS A 32 -8.755 -3.892 12.870 1.00 0.00 N ATOM 0 H HIS A 32 -10.328 1.484 10.113 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.826 0.448 12.433 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.064 -0.486 12.614 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.085 -0.901 10.911 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.298 -1.868 13.579 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.774 -5.387 11.726 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -8.089 -4.459 13.395 1.00 0.00 H new ATOM 492 N PRO A 33 -7.171 0.307 10.473 1.00 0.00 N ATOM 493 CA PRO A 33 -6.115 -0.072 9.530 1.00 0.00 C ATOM 494 C PRO A 33 -5.572 -1.471 9.799 1.00 0.00 C ATOM 495 O PRO A 33 -4.510 -1.631 10.401 1.00 0.00 O ATOM 496 CB PRO A 33 -5.028 0.979 9.773 1.00 0.00 C ATOM 497 CG PRO A 33 -5.249 1.435 11.173 1.00 0.00 C ATOM 498 CD PRO A 33 -6.734 1.361 11.404 1.00 0.00 C ATOM 0 HA PRO A 33 -6.478 -0.101 8.503 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.032 0.555 9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.113 1.807 9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.712 0.801 11.879 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.882 2.452 11.315 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.968 1.106 12.438 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.222 2.312 11.192 1.00 0.00 H new ATOM 506 N TYR A 34 -6.307 -2.482 9.349 1.00 0.00 N ATOM 507 CA TYR A 34 -5.900 -3.869 9.544 1.00 0.00 C ATOM 508 C TYR A 34 -6.129 -4.687 8.276 1.00 0.00 C ATOM 509 O TYR A 34 -7.260 -5.002 7.905 1.00 0.00 O ATOM 510 CB TYR A 34 -6.671 -4.490 10.710 1.00 0.00 C ATOM 511 CG TYR A 34 -6.139 -4.090 12.068 1.00 0.00 C ATOM 512 CD1 TYR A 34 -6.231 -2.777 12.513 1.00 0.00 C ATOM 513 CD2 TYR A 34 -5.545 -5.026 12.906 1.00 0.00 C ATOM 514 CE1 TYR A 34 -5.746 -2.407 13.753 1.00 0.00 C ATOM 515 CE2 TYR A 34 -5.058 -4.665 14.148 1.00 0.00 C ATOM 516 CZ TYR A 34 -5.161 -3.355 14.566 1.00 0.00 C ATOM 517 OH TYR A 34 -4.678 -2.991 15.802 1.00 0.00 O ATOM 0 H TYR A 34 -7.187 -2.367 8.847 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.835 -3.879 9.775 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.719 -4.198 10.639 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.636 -5.576 10.621 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.689 -2.033 11.879 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.463 -6.053 12.581 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.825 -1.382 14.083 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.599 -5.405 14.788 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.298 -3.776 16.249 1.00 0.00 H new ATOM 527 N PRO A 35 -5.029 -5.040 7.595 1.00 0.00 N ATOM 528 CA PRO A 35 -5.082 -5.826 6.359 1.00 0.00 C ATOM 529 C PRO A 35 -5.510 -7.269 6.608 1.00 0.00 C ATOM 530 O PRO A 35 -5.039 -7.915 7.545 1.00 0.00 O ATOM 531 CB PRO A 35 -3.641 -5.777 5.845 1.00 0.00 C ATOM 532 CG PRO A 35 -2.812 -5.548 7.062 1.00 0.00 C ATOM 533 CD PRO A 35 -3.649 -4.699 7.979 1.00 0.00 C ATOM 0 HA PRO A 35 -5.814 -5.430 5.655 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.366 -6.707 5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.507 -4.976 5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.548 -6.492 7.538 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.878 -5.046 6.809 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.455 -4.928 9.027 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.444 -3.637 7.842 1.00 0.00 H new ATOM 541 N THR A 36 -6.405 -7.770 5.762 1.00 0.00 N ATOM 542 CA THR A 36 -6.897 -9.136 5.891 1.00 0.00 C ATOM 543 C THR A 36 -5.970 -10.122 5.190 1.00 0.00 C ATOM 544 O THR A 36 -5.318 -9.781 4.204 1.00 0.00 O ATOM 545 CB THR A 36 -8.316 -9.279 5.309 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.290 -9.056 3.895 1.00 0.00 O ATOM 547 CG2 THR A 36 -9.272 -8.295 5.965 1.00 0.00 C ATOM 0 H THR A 36 -6.804 -7.250 4.980 1.00 0.00 H new ATOM 0 HA THR A 36 -6.925 -9.363 6.957 1.00 0.00 H new ATOM 0 HB THR A 36 -8.667 -10.291 5.511 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.195 -9.150 3.532 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.268 -8.415 5.538 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.312 -8.486 7.037 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.923 -7.277 5.791 1.00 0.00 H new ATOM 555 N GLU A 37 -5.917 -11.346 5.706 1.00 0.00 N ATOM 556 CA GLU A 37 -5.069 -12.382 5.127 1.00 0.00 C ATOM 557 C GLU A 37 -5.099 -12.321 3.603 1.00 0.00 C ATOM 558 O GLU A 37 -4.079 -12.519 2.943 1.00 0.00 O ATOM 559 CB GLU A 37 -5.519 -13.765 5.603 1.00 0.00 C ATOM 560 CG GLU A 37 -7.002 -13.847 5.921 1.00 0.00 C ATOM 561 CD GLU A 37 -7.314 -13.458 7.353 1.00 0.00 C ATOM 562 OE1 GLU A 37 -6.681 -14.020 8.271 1.00 0.00 O ATOM 563 OE2 GLU A 37 -8.191 -12.592 7.555 1.00 0.00 O ATOM 0 H GLU A 37 -6.450 -11.644 6.523 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.046 -12.207 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.280 -14.500 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.950 -14.037 6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.552 -13.194 5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.353 -14.863 5.740 1.00 0.00 H new ATOM 570 N ASP A 38 -6.276 -12.048 3.051 1.00 0.00 N ATOM 571 CA ASP A 38 -6.441 -11.961 1.604 1.00 0.00 C ATOM 572 C ASP A 38 -5.873 -10.649 1.071 1.00 0.00 C ATOM 573 O ASP A 38 -5.329 -10.601 -0.032 1.00 0.00 O ATOM 574 CB ASP A 38 -7.919 -12.081 1.229 1.00 0.00 C ATOM 575 CG ASP A 38 -8.518 -13.406 1.656 1.00 0.00 C ATOM 576 OD1 ASP A 38 -8.804 -13.568 2.861 1.00 0.00 O ATOM 577 OD2 ASP A 38 -8.703 -14.281 0.785 1.00 0.00 O ATOM 0 H ASP A 38 -7.130 -11.883 3.583 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.892 -12.786 1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.476 -11.267 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.028 -11.967 0.150 1.00 0.00 H new ATOM 582 N GLU A 39 -6.003 -9.589 1.861 1.00 0.00 N ATOM 583 CA GLU A 39 -5.504 -8.276 1.467 1.00 0.00 C ATOM 584 C GLU A 39 -3.987 -8.296 1.311 1.00 0.00 C ATOM 585 O GLU A 39 -3.441 -7.743 0.355 1.00 0.00 O ATOM 586 CB GLU A 39 -5.909 -7.221 2.498 1.00 0.00 C ATOM 587 CG GLU A 39 -7.368 -6.807 2.405 1.00 0.00 C ATOM 588 CD GLU A 39 -7.604 -5.735 1.359 1.00 0.00 C ATOM 589 OE1 GLU A 39 -6.906 -5.751 0.324 1.00 0.00 O ATOM 590 OE2 GLU A 39 -8.489 -4.881 1.575 1.00 0.00 O ATOM 0 H GLU A 39 -6.449 -9.613 2.778 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.947 -8.021 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.713 -7.608 3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.281 -6.339 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.975 -7.681 2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.701 -6.441 3.376 1.00 0.00 H new ATOM 597 N LYS A 40 -3.309 -8.936 2.258 1.00 0.00 N ATOM 598 CA LYS A 40 -1.854 -9.029 2.228 1.00 0.00 C ATOM 599 C LYS A 40 -1.384 -9.805 1.002 1.00 0.00 C ATOM 600 O LYS A 40 -0.353 -9.486 0.410 1.00 0.00 O ATOM 601 CB LYS A 40 -1.339 -9.705 3.501 1.00 0.00 C ATOM 602 CG LYS A 40 -2.142 -9.355 4.742 1.00 0.00 C ATOM 603 CD LYS A 40 -1.275 -9.372 5.990 1.00 0.00 C ATOM 604 CE LYS A 40 -2.092 -9.691 7.233 1.00 0.00 C ATOM 605 NZ LYS A 40 -1.435 -9.193 8.472 1.00 0.00 N ATOM 0 H LYS A 40 -3.744 -9.398 3.056 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.451 -8.018 2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.355 -10.786 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.299 -9.420 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.588 -8.368 4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.962 -10.064 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.483 -10.112 5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.790 -8.403 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.082 -9.243 7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.235 -10.769 7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.197 -9.998 9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.566 -8.679 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.083 -8.554 8.975 1.00 0.00 H new ATOM 619 N LYS A 41 -2.147 -10.826 0.625 1.00 0.00 N ATOM 620 CA LYS A 41 -1.810 -11.647 -0.532 1.00 0.00 C ATOM 621 C LYS A 41 -2.124 -10.911 -1.831 1.00 0.00 C ATOM 622 O LYS A 41 -1.299 -10.863 -2.742 1.00 0.00 O ATOM 623 CB LYS A 41 -2.578 -12.970 -0.485 1.00 0.00 C ATOM 624 CG LYS A 41 -2.132 -13.892 0.636 1.00 0.00 C ATOM 625 CD LYS A 41 -2.945 -15.175 0.660 1.00 0.00 C ATOM 626 CE LYS A 41 -2.585 -16.042 1.857 1.00 0.00 C ATOM 627 NZ LYS A 41 -3.388 -17.295 1.896 1.00 0.00 N ATOM 0 H LYS A 41 -3.003 -11.105 1.104 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.740 -11.853 -0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.641 -12.759 -0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.457 -13.485 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.076 -14.132 0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.233 -13.379 1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.007 -14.933 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.772 -15.733 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.525 -16.291 1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.747 -15.478 2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.113 -17.858 2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.399 -17.058 1.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.214 -17.846 1.031 1.00 0.00 H new ATOM 641 N GLN A 42 -3.321 -10.338 -1.906 1.00 0.00 N ATOM 642 CA GLN A 42 -3.742 -9.603 -3.094 1.00 0.00 C ATOM 643 C GLN A 42 -2.891 -8.353 -3.291 1.00 0.00 C ATOM 644 O GLN A 42 -2.305 -8.151 -4.355 1.00 0.00 O ATOM 645 CB GLN A 42 -5.218 -9.218 -2.984 1.00 0.00 C ATOM 646 CG GLN A 42 -6.168 -10.395 -3.139 1.00 0.00 C ATOM 647 CD GLN A 42 -6.439 -10.739 -4.591 1.00 0.00 C ATOM 648 OE1 GLN A 42 -5.590 -10.531 -5.459 1.00 0.00 O ATOM 649 NE2 GLN A 42 -7.626 -11.268 -4.862 1.00 0.00 N ATOM 0 H GLN A 42 -4.016 -10.368 -1.160 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.607 -10.252 -3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.391 -8.748 -2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.448 -8.473 -3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.747 -11.265 -2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.110 -10.164 -2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.299 -11.423 -4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.865 -11.520 -5.821 1.00 0.00 H new ATOM 658 N ILE A 43 -2.829 -7.518 -2.260 1.00 0.00 N ATOM 659 CA ILE A 43 -2.049 -6.288 -2.320 1.00 0.00 C ATOM 660 C ILE A 43 -0.610 -6.569 -2.739 1.00 0.00 C ATOM 661 O ILE A 43 -0.087 -5.942 -3.660 1.00 0.00 O ATOM 662 CB ILE A 43 -2.044 -5.557 -0.965 1.00 0.00 C ATOM 663 CG1 ILE A 43 -3.468 -5.169 -0.564 1.00 0.00 C ATOM 664 CG2 ILE A 43 -1.152 -4.326 -1.030 1.00 0.00 C ATOM 665 CD1 ILE A 43 -3.613 -4.832 0.903 1.00 0.00 C ATOM 0 H ILE A 43 -3.309 -7.670 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.524 -5.650 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.645 -6.231 -0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.783 -4.311 -1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.142 -5.990 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.159 -3.820 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.133 -4.627 -1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.524 -3.647 -1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.649 -4.566 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.330 -5.696 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.965 -3.991 1.149 1.00 0.00 H new ATOM 677 N ALA A 44 0.024 -7.518 -2.057 1.00 0.00 N ATOM 678 CA ALA A 44 1.402 -7.885 -2.361 1.00 0.00 C ATOM 679 C ALA A 44 1.641 -7.922 -3.866 1.00 0.00 C ATOM 680 O ALA A 44 2.691 -7.496 -4.348 1.00 0.00 O ATOM 681 CB ALA A 44 1.738 -9.232 -1.738 1.00 0.00 C ATOM 0 H ALA A 44 -0.394 -8.046 -1.291 1.00 0.00 H new ATOM 0 HA ALA A 44 2.057 -7.125 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.770 -9.494 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.615 -9.173 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.070 -9.995 -2.138 1.00 0.00 H new ATOM 687 N ALA A 45 0.662 -8.433 -4.605 1.00 0.00 N ATOM 688 CA ALA A 45 0.766 -8.523 -6.056 1.00 0.00 C ATOM 689 C ALA A 45 0.689 -7.143 -6.699 1.00 0.00 C ATOM 690 O ALA A 45 1.642 -6.689 -7.331 1.00 0.00 O ATOM 691 CB ALA A 45 -0.327 -9.427 -6.608 1.00 0.00 C ATOM 0 H ALA A 45 -0.213 -8.791 -4.222 1.00 0.00 H new ATOM 0 HA ALA A 45 1.737 -8.954 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.238 -9.485 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.224 -10.425 -6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.303 -9.019 -6.346 1.00 0.00 H new ATOM 697 N GLN A 46 -0.452 -6.481 -6.533 1.00 0.00 N ATOM 698 CA GLN A 46 -0.652 -5.152 -7.099 1.00 0.00 C ATOM 699 C GLN A 46 0.527 -4.240 -6.778 1.00 0.00 C ATOM 700 O GLN A 46 0.889 -3.372 -7.573 1.00 0.00 O ATOM 701 CB GLN A 46 -1.948 -4.538 -6.565 1.00 0.00 C ATOM 702 CG GLN A 46 -3.168 -5.422 -6.766 1.00 0.00 C ATOM 703 CD GLN A 46 -4.452 -4.625 -6.887 1.00 0.00 C ATOM 704 OE1 GLN A 46 -5.007 -4.484 -7.977 1.00 0.00 O ATOM 705 NE2 GLN A 46 -4.932 -4.100 -5.766 1.00 0.00 N ATOM 0 H GLN A 46 -1.251 -6.843 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.725 -5.253 -8.182 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.831 -4.331 -5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.118 -3.581 -7.059 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.032 -6.024 -7.665 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.252 -6.115 -5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.439 -4.242 -4.884 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.794 -3.555 -5.786 1.00 0.00 H new ATOM 714 N THR A 47 1.124 -4.442 -5.607 1.00 0.00 N ATOM 715 CA THR A 47 2.261 -3.637 -5.180 1.00 0.00 C ATOM 716 C THR A 47 3.577 -4.359 -5.446 1.00 0.00 C ATOM 717 O THR A 47 4.650 -3.763 -5.368 1.00 0.00 O ATOM 718 CB THR A 47 2.173 -3.289 -3.682 1.00 0.00 C ATOM 719 OG1 THR A 47 2.312 -4.477 -2.895 1.00 0.00 O ATOM 720 CG2 THR A 47 0.848 -2.614 -3.361 1.00 0.00 C ATOM 0 H THR A 47 0.838 -5.157 -4.938 1.00 0.00 H new ATOM 0 HA THR A 47 2.231 -2.716 -5.761 1.00 0.00 H new ATOM 0 HB THR A 47 2.982 -2.598 -3.443 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.558 -5.078 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.808 -2.377 -2.298 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.758 -1.695 -3.941 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.027 -3.285 -3.614 1.00 0.00 H new ATOM 728 N ASN A 48 3.486 -5.647 -5.761 1.00 0.00 N ATOM 729 CA ASN A 48 4.671 -6.452 -6.038 1.00 0.00 C ATOM 730 C ASN A 48 5.576 -6.528 -4.813 1.00 0.00 C ATOM 731 O ASN A 48 6.801 -6.575 -4.934 1.00 0.00 O ATOM 732 CB ASN A 48 5.444 -5.867 -7.222 1.00 0.00 C ATOM 733 CG ASN A 48 6.539 -6.794 -7.712 1.00 0.00 C ATOM 734 OD1 ASN A 48 7.704 -6.645 -7.344 1.00 0.00 O ATOM 735 ND2 ASN A 48 6.169 -7.757 -8.547 1.00 0.00 N ATOM 0 H ASN A 48 2.605 -6.156 -5.831 1.00 0.00 H new ATOM 0 HA ASN A 48 4.344 -7.461 -6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.752 -5.663 -8.039 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.883 -4.913 -6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.862 -8.411 -8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.191 -7.843 -8.825 1.00 0.00 H new ATOM 742 N LEU A 49 4.966 -6.539 -3.633 1.00 0.00 N ATOM 743 CA LEU A 49 5.716 -6.610 -2.384 1.00 0.00 C ATOM 744 C LEU A 49 5.448 -7.927 -1.662 1.00 0.00 C ATOM 745 O LEU A 49 4.419 -8.568 -1.878 1.00 0.00 O ATOM 746 CB LEU A 49 5.348 -5.434 -1.477 1.00 0.00 C ATOM 747 CG LEU A 49 5.426 -4.046 -2.114 1.00 0.00 C ATOM 748 CD1 LEU A 49 4.963 -2.982 -1.131 1.00 0.00 C ATOM 749 CD2 LEU A 49 6.842 -3.756 -2.588 1.00 0.00 C ATOM 0 H LEU A 49 3.954 -6.500 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 49 6.778 -6.558 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.333 -5.587 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.006 -5.451 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 49 4.763 -4.026 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.025 -2.001 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.932 -3.180 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.600 -3.002 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.879 -2.764 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.525 -3.795 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.138 -4.501 -3.326 1.00 0.00 H new ATOM 761 N THR A 50 6.380 -8.324 -0.801 1.00 0.00 N ATOM 762 CA THR A 50 6.245 -9.563 -0.046 1.00 0.00 C ATOM 763 C THR A 50 5.449 -9.343 1.235 1.00 0.00 C ATOM 764 O THR A 50 5.561 -8.296 1.875 1.00 0.00 O ATOM 765 CB THR A 50 7.621 -10.155 0.313 1.00 0.00 C ATOM 766 OG1 THR A 50 8.420 -9.169 0.976 1.00 0.00 O ATOM 767 CG2 THR A 50 8.342 -10.645 -0.934 1.00 0.00 C ATOM 0 H THR A 50 7.237 -7.805 -0.609 1.00 0.00 H new ATOM 0 HA THR A 50 5.711 -10.266 -0.686 1.00 0.00 H new ATOM 0 HB THR A 50 7.464 -11.003 0.979 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.293 -9.553 1.202 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.311 -11.059 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.745 -11.416 -1.420 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.487 -9.812 -1.621 1.00 0.00 H new ATOM 775 N LEU A 51 4.647 -10.334 1.605 1.00 0.00 N ATOM 776 CA LEU A 51 3.832 -10.249 2.812 1.00 0.00 C ATOM 777 C LEU A 51 4.555 -9.467 3.904 1.00 0.00 C ATOM 778 O LEU A 51 3.937 -8.712 4.655 1.00 0.00 O ATOM 779 CB LEU A 51 3.485 -11.650 3.317 1.00 0.00 C ATOM 780 CG LEU A 51 2.192 -12.259 2.772 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.993 -11.416 3.176 1.00 0.00 C ATOM 782 CD2 LEU A 51 2.264 -12.397 1.259 1.00 0.00 C ATOM 0 H LEU A 51 4.543 -11.206 1.087 1.00 0.00 H new ATOM 0 HA LEU A 51 2.912 -9.721 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.310 -12.318 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.417 -11.616 4.404 1.00 0.00 H new ATOM 0 HG LEU A 51 2.072 -13.253 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.082 -11.865 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.931 -11.369 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.105 -10.408 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.336 -12.832 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.408 -11.414 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.100 -13.044 0.992 1.00 0.00 H new ATOM 794 N LEU A 52 5.868 -9.651 3.984 1.00 0.00 N ATOM 795 CA LEU A 52 6.678 -8.962 4.983 1.00 0.00 C ATOM 796 C LEU A 52 6.686 -7.457 4.732 1.00 0.00 C ATOM 797 O LEU A 52 6.378 -6.668 5.625 1.00 0.00 O ATOM 798 CB LEU A 52 8.109 -9.501 4.968 1.00 0.00 C ATOM 799 CG LEU A 52 8.978 -9.132 6.172 1.00 0.00 C ATOM 800 CD1 LEU A 52 10.188 -10.049 6.257 1.00 0.00 C ATOM 801 CD2 LEU A 52 9.413 -7.676 6.090 1.00 0.00 C ATOM 0 H LEU A 52 6.395 -10.271 3.369 1.00 0.00 H new ATOM 0 HA LEU A 52 6.238 -9.146 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.066 -10.588 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.602 -9.141 4.065 1.00 0.00 H new ATOM 0 HG LEU A 52 8.385 -9.262 7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.795 -9.772 7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.855 -11.081 6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.783 -9.952 5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.030 -7.431 6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.988 -7.519 5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.533 -7.033 6.079 1.00 0.00 H new ATOM 813 N GLN A 53 7.039 -7.068 3.511 1.00 0.00 N ATOM 814 CA GLN A 53 7.085 -5.658 3.143 1.00 0.00 C ATOM 815 C GLN A 53 5.730 -4.993 3.362 1.00 0.00 C ATOM 816 O GLN A 53 5.617 -4.021 4.109 1.00 0.00 O ATOM 817 CB GLN A 53 7.513 -5.504 1.683 1.00 0.00 C ATOM 818 CG GLN A 53 8.946 -5.936 1.419 1.00 0.00 C ATOM 819 CD GLN A 53 9.356 -5.748 -0.028 1.00 0.00 C ATOM 820 OE1 GLN A 53 9.449 -4.496 -0.459 1.00 0.00 O flip ATOM 821 NE2 GLN A 53 9.586 -6.718 -0.751 1.00 0.00 N flip ATOM 0 H GLN A 53 7.297 -7.709 2.761 1.00 0.00 H new ATOM 0 HA GLN A 53 7.818 -5.165 3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.844 -6.091 1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.397 -4.461 1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.617 -5.365 2.060 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.061 -6.985 1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.502 -7.664 -0.378 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.860 -6.576 -1.723 1.00 0.00 H new ATOM 830 N VAL A 54 4.704 -5.524 2.705 1.00 0.00 N ATOM 831 CA VAL A 54 3.355 -4.982 2.828 1.00 0.00 C ATOM 832 C VAL A 54 2.985 -4.757 4.290 1.00 0.00 C ATOM 833 O VAL A 54 2.324 -3.776 4.629 1.00 0.00 O ATOM 834 CB VAL A 54 2.314 -5.918 2.185 1.00 0.00 C ATOM 835 CG1 VAL A 54 0.909 -5.374 2.391 1.00 0.00 C ATOM 836 CG2 VAL A 54 2.610 -6.106 0.705 1.00 0.00 C ATOM 0 H VAL A 54 4.780 -6.328 2.082 1.00 0.00 H new ATOM 0 HA VAL A 54 3.348 -4.027 2.303 1.00 0.00 H new ATOM 0 HB VAL A 54 2.376 -6.892 2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.187 -6.048 1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.702 -5.295 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.830 -4.388 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.865 -6.770 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.576 -5.140 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.601 -6.543 0.585 1.00 0.00 H new ATOM 846 N ASN A 55 3.417 -5.671 5.152 1.00 0.00 N ATOM 847 CA ASN A 55 3.131 -5.572 6.579 1.00 0.00 C ATOM 848 C ASN A 55 3.933 -4.443 7.217 1.00 0.00 C ATOM 849 O ASN A 55 3.369 -3.523 7.808 1.00 0.00 O ATOM 850 CB ASN A 55 3.448 -6.896 7.277 1.00 0.00 C ATOM 851 CG ASN A 55 2.258 -7.836 7.300 1.00 0.00 C ATOM 852 OD1 ASN A 55 1.176 -7.475 7.762 1.00 0.00 O ATOM 853 ND2 ASN A 55 2.455 -9.051 6.801 1.00 0.00 N ATOM 0 H ASN A 55 3.966 -6.489 4.888 1.00 0.00 H new ATOM 0 HA ASN A 55 2.070 -5.352 6.697 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.281 -7.381 6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.770 -6.697 8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.692 -9.728 6.791 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.369 -9.307 6.428 1.00 0.00 H new ATOM 860 N ASN A 56 5.255 -4.519 7.093 1.00 0.00 N ATOM 861 CA ASN A 56 6.136 -3.504 7.658 1.00 0.00 C ATOM 862 C ASN A 56 5.613 -2.102 7.357 1.00 0.00 C ATOM 863 O ASN A 56 5.509 -1.263 8.252 1.00 0.00 O ATOM 864 CB ASN A 56 7.553 -3.662 7.103 1.00 0.00 C ATOM 865 CG ASN A 56 8.404 -4.590 7.947 1.00 0.00 C ATOM 866 OD1 ASN A 56 7.899 -5.793 8.196 1.00 0.00 O flip ATOM 867 ND2 ASN A 56 9.503 -4.230 8.370 1.00 0.00 N flip ATOM 0 H ASN A 56 5.739 -5.273 6.606 1.00 0.00 H new ATOM 0 HA ASN A 56 6.160 -3.640 8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.501 -4.047 6.085 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.031 -2.684 7.050 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.852 -3.296 8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.065 -4.866 8.936 1.00 0.00 H new ATOM 874 N TRP A 57 5.286 -1.857 6.094 1.00 0.00 N ATOM 875 CA TRP A 57 4.773 -0.558 5.675 1.00 0.00 C ATOM 876 C TRP A 57 3.530 -0.180 6.473 1.00 0.00 C ATOM 877 O TRP A 57 3.463 0.898 7.064 1.00 0.00 O ATOM 878 CB TRP A 57 4.451 -0.571 4.180 1.00 0.00 C ATOM 879 CG TRP A 57 4.135 0.786 3.628 1.00 0.00 C ATOM 880 CD1 TRP A 57 5.002 1.643 3.012 1.00 0.00 C ATOM 881 CD2 TRP A 57 2.863 1.443 3.645 1.00 0.00 C ATOM 882 NE1 TRP A 57 4.346 2.793 2.645 1.00 0.00 N ATOM 883 CE2 TRP A 57 3.032 2.695 3.021 1.00 0.00 C ATOM 884 CE3 TRP A 57 1.597 1.095 4.124 1.00 0.00 C ATOM 885 CZ2 TRP A 57 1.983 3.597 2.866 1.00 0.00 C ATOM 886 CZ3 TRP A 57 0.557 1.992 3.970 1.00 0.00 C ATOM 887 CH2 TRP A 57 0.755 3.230 3.345 1.00 0.00 C ATOM 0 H TRP A 57 5.367 -2.541 5.342 1.00 0.00 H new ATOM 0 HA TRP A 57 5.545 0.188 5.866 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.299 -0.988 3.637 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.603 -1.233 4.004 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.050 1.446 2.839 1.00 0.00 H new ATOM 0 HE1 TRP A 57 4.769 3.590 2.170 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.434 0.142 4.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 2.133 4.552 2.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -0.425 1.734 4.338 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -0.079 3.909 3.239 1.00 0.00 H new ATOM 898 N PHE A 58 2.547 -1.074 6.486 1.00 0.00 N ATOM 899 CA PHE A 58 1.304 -0.834 7.211 1.00 0.00 C ATOM 900 C PHE A 58 1.581 -0.545 8.683 1.00 0.00 C ATOM 901 O PHE A 58 1.092 0.441 9.236 1.00 0.00 O ATOM 902 CB PHE A 58 0.372 -2.040 7.082 1.00 0.00 C ATOM 903 CG PHE A 58 -0.469 -2.018 5.839 1.00 0.00 C ATOM 904 CD1 PHE A 58 -1.139 -0.865 5.460 1.00 0.00 C ATOM 905 CD2 PHE A 58 -0.591 -3.149 5.048 1.00 0.00 C ATOM 906 CE1 PHE A 58 -1.915 -0.843 4.317 1.00 0.00 C ATOM 907 CE2 PHE A 58 -1.365 -3.132 3.903 1.00 0.00 C ATOM 908 CZ PHE A 58 -2.027 -1.977 3.537 1.00 0.00 C ATOM 0 H PHE A 58 2.587 -1.971 6.003 1.00 0.00 H new ATOM 0 HA PHE A 58 0.819 0.038 6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.968 -2.952 7.091 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.282 -2.078 7.953 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.053 0.026 6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.075 -4.055 5.330 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.434 0.061 4.034 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.452 -4.021 3.296 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.631 -1.960 2.642 1.00 0.00 H new ATOM 918 N ILE A 59 2.368 -1.411 9.312 1.00 0.00 N ATOM 919 CA ILE A 59 2.711 -1.250 10.720 1.00 0.00 C ATOM 920 C ILE A 59 3.167 0.175 11.014 1.00 0.00 C ATOM 921 O ILE A 59 2.856 0.732 12.066 1.00 0.00 O ATOM 922 CB ILE A 59 3.819 -2.230 11.145 1.00 0.00 C ATOM 923 CG1 ILE A 59 3.369 -3.674 10.916 1.00 0.00 C ATOM 924 CG2 ILE A 59 4.189 -2.010 12.605 1.00 0.00 C ATOM 925 CD1 ILE A 59 4.514 -4.634 10.681 1.00 0.00 C ATOM 0 H ILE A 59 2.780 -2.232 8.869 1.00 0.00 H new ATOM 0 HA ILE A 59 1.809 -1.466 11.292 1.00 0.00 H new ATOM 0 HB ILE A 59 4.702 -2.044 10.534 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.796 -4.009 11.781 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.698 -3.705 10.058 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.974 -2.710 12.891 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.547 -0.989 12.740 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.312 -2.173 13.231 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.121 -5.639 10.526 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.074 -4.324 9.799 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.174 -4.632 11.548 1.00 0.00 H new ATOM 937 N ASN A 60 3.905 0.760 10.076 1.00 0.00 N ATOM 938 CA ASN A 60 4.404 2.121 10.234 1.00 0.00 C ATOM 939 C ASN A 60 3.334 3.140 9.853 1.00 0.00 C ATOM 940 O ASN A 60 3.230 4.204 10.463 1.00 0.00 O ATOM 941 CB ASN A 60 5.654 2.332 9.377 1.00 0.00 C ATOM 942 CG ASN A 60 6.569 3.401 9.942 1.00 0.00 C ATOM 943 OD1 ASN A 60 6.302 3.965 11.004 1.00 0.00 O ATOM 944 ND2 ASN A 60 7.656 3.684 9.233 1.00 0.00 N ATOM 0 H ASN A 60 4.171 0.313 9.199 1.00 0.00 H new ATOM 0 HA ASN A 60 4.663 2.267 11.283 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.201 1.393 9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.355 2.610 8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.310 4.394 9.563 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.837 3.191 8.358 1.00 0.00 H new ATOM 951 N ALA A 61 2.542 2.806 8.840 1.00 0.00 N ATOM 952 CA ALA A 61 1.478 3.690 8.379 1.00 0.00 C ATOM 953 C ALA A 61 0.475 3.970 9.493 1.00 0.00 C ATOM 954 O ALA A 61 -0.176 5.015 9.506 1.00 0.00 O ATOM 955 CB ALA A 61 0.775 3.085 7.172 1.00 0.00 C ATOM 0 H ALA A 61 2.617 1.930 8.323 1.00 0.00 H new ATOM 0 HA ALA A 61 1.929 4.638 8.086 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.017 3.755 6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.494 2.943 6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.344 2.122 7.447 1.00 0.00 H new ATOM 961 N ARG A 62 0.355 3.030 10.425 1.00 0.00 N ATOM 962 CA ARG A 62 -0.571 3.176 11.541 1.00 0.00 C ATOM 963 C ARG A 62 0.075 3.953 12.685 1.00 0.00 C ATOM 964 O ARG A 62 -0.599 4.689 13.406 1.00 0.00 O ATOM 965 CB ARG A 62 -1.024 1.801 12.037 1.00 0.00 C ATOM 966 CG ARG A 62 -1.605 0.920 10.943 1.00 0.00 C ATOM 967 CD ARG A 62 -1.984 -0.453 11.476 1.00 0.00 C ATOM 968 NE ARG A 62 -1.871 -1.487 10.452 1.00 0.00 N ATOM 969 CZ ARG A 62 -1.686 -2.774 10.725 1.00 0.00 C ATOM 970 NH1 ARG A 62 -1.595 -3.182 11.983 1.00 0.00 N ATOM 971 NH2 ARG A 62 -1.593 -3.656 9.738 1.00 0.00 N ATOM 0 H ARG A 62 0.887 2.160 10.429 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.439 3.734 11.190 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.175 1.290 12.491 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.771 1.934 12.819 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.485 1.401 10.516 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.878 0.811 10.138 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.340 -0.705 12.319 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.006 -0.426 11.853 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.938 -1.206 9.474 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.667 -2.507 12.744 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.453 -4.171 12.189 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.664 -3.346 8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.451 -4.644 9.949 1.00 0.00 H new ATOM 985 N ARG A 63 1.383 3.784 12.844 1.00 0.00 N ATOM 986 CA ARG A 63 2.119 4.468 13.901 1.00 0.00 C ATOM 987 C ARG A 63 2.348 5.933 13.542 1.00 0.00 C ATOM 988 O ARG A 63 2.649 6.755 14.409 1.00 0.00 O ATOM 989 CB ARG A 63 3.461 3.776 14.147 1.00 0.00 C ATOM 990 CG ARG A 63 3.340 2.464 14.904 1.00 0.00 C ATOM 991 CD ARG A 63 4.701 1.821 15.126 1.00 0.00 C ATOM 992 NE ARG A 63 5.275 1.313 13.883 1.00 0.00 N ATOM 993 CZ ARG A 63 6.481 0.763 13.801 1.00 0.00 C ATOM 994 NH1 ARG A 63 7.237 0.651 14.885 1.00 0.00 N ATOM 995 NH2 ARG A 63 6.934 0.324 12.634 1.00 0.00 N ATOM 0 H ARG A 63 1.955 3.179 12.255 1.00 0.00 H new ATOM 0 HA ARG A 63 1.523 4.424 14.813 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.945 3.589 13.188 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.110 4.450 14.706 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.859 2.641 15.866 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.699 1.780 14.348 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.380 2.551 15.567 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.604 1.004 15.841 1.00 0.00 H new ATOM 0 HE ARG A 63 4.719 1.385 13.031 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.892 0.988 15.784 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.163 0.228 14.820 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.356 0.409 11.798 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.861 -0.098 12.573 1.00 0.00 H new ATOM 1009 N ARG A 64 2.204 6.253 12.261 1.00 0.00 N ATOM 1010 CA ARG A 64 2.396 7.619 11.788 1.00 0.00 C ATOM 1011 C ARG A 64 1.093 8.409 11.863 1.00 0.00 C ATOM 1012 O ARG A 64 1.100 9.612 12.128 1.00 0.00 O ATOM 1013 CB ARG A 64 2.920 7.614 10.350 1.00 0.00 C ATOM 1014 CG ARG A 64 1.840 7.364 9.310 1.00 0.00 C ATOM 1015 CD ARG A 64 2.309 7.754 7.916 1.00 0.00 C ATOM 1016 NE ARG A 64 1.191 7.939 6.995 1.00 0.00 N ATOM 1017 CZ ARG A 64 1.305 7.855 5.674 1.00 0.00 C ATOM 1018 NH1 ARG A 64 2.482 7.591 5.123 1.00 0.00 N ATOM 1019 NH2 ARG A 64 0.242 8.036 4.902 1.00 0.00 N ATOM 0 H ARG A 64 1.955 5.585 11.531 1.00 0.00 H new ATOM 0 HA ARG A 64 3.130 8.101 12.434 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.398 8.572 10.143 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.689 6.847 10.255 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.561 6.310 9.320 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.947 7.933 9.567 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.888 8.676 7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.974 6.983 7.528 1.00 0.00 H new ATOM 0 HE ARG A 64 0.272 8.144 7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.302 7.452 5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.567 7.527 4.109 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.665 8.240 5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.331 7.971 3.888 1.00 0.00 H new ATOM 1033 N ILE A 65 -0.022 7.726 11.629 1.00 0.00 N ATOM 1034 CA ILE A 65 -1.332 8.364 11.671 1.00 0.00 C ATOM 1035 C ILE A 65 -1.833 8.497 13.105 1.00 0.00 C ATOM 1036 O ILE A 65 -2.302 9.559 13.514 1.00 0.00 O ATOM 1037 CB ILE A 65 -2.368 7.577 10.848 1.00 0.00 C ATOM 1038 CG1 ILE A 65 -2.594 6.193 11.461 1.00 0.00 C ATOM 1039 CG2 ILE A 65 -1.913 7.453 9.401 1.00 0.00 C ATOM 1040 CD1 ILE A 65 -3.479 5.298 10.622 1.00 0.00 C ATOM 0 H ILE A 65 -0.045 6.730 11.408 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.214 9.357 11.237 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.312 8.121 10.866 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.629 5.706 11.604 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.041 6.310 12.448 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.656 6.894 8.833 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.798 8.447 8.969 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.958 6.929 9.364 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.596 4.334 11.117 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.457 5.764 10.500 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.023 5.150 9.643 1.00 0.00 H new ATOM 1052 N LEU A 66 -1.728 7.412 13.865 1.00 0.00 N ATOM 1053 CA LEU A 66 -2.168 7.407 15.256 1.00 0.00 C ATOM 1054 C LEU A 66 -1.389 8.429 16.077 1.00 0.00 C ATOM 1055 O LEU A 66 -1.968 9.174 16.868 1.00 0.00 O ATOM 1056 CB LEU A 66 -1.997 6.012 15.860 1.00 0.00 C ATOM 1057 CG LEU A 66 -3.210 5.086 15.766 1.00 0.00 C ATOM 1058 CD1 LEU A 66 -4.355 5.618 16.612 1.00 0.00 C ATOM 1059 CD2 LEU A 66 -3.646 4.925 14.317 1.00 0.00 C ATOM 0 H LEU A 66 -1.342 6.525 13.542 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.223 7.679 15.279 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.155 5.526 15.368 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.731 6.123 16.911 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.926 4.107 16.151 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.209 4.946 16.532 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.039 5.681 17.653 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.639 6.609 16.258 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.510 4.263 14.269 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.912 5.899 13.907 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.829 4.497 13.736 1.00 0.00 H new ATOM 1071 N GLN A 67 -0.075 8.460 15.883 1.00 0.00 N ATOM 1072 CA GLN A 67 0.782 9.392 16.605 1.00 0.00 C ATOM 1073 C GLN A 67 0.531 10.826 16.152 1.00 0.00 C ATOM 1074 O GLN A 67 0.758 11.170 14.992 1.00 0.00 O ATOM 1075 CB GLN A 67 2.254 9.030 16.398 1.00 0.00 C ATOM 1076 CG GLN A 67 3.206 9.825 17.277 1.00 0.00 C ATOM 1077 CD GLN A 67 4.635 9.786 16.773 1.00 0.00 C ATOM 1078 OE1 GLN A 67 4.912 10.142 15.627 1.00 0.00 O ATOM 1079 NE2 GLN A 67 5.553 9.353 17.629 1.00 0.00 N ATOM 0 H GLN A 67 0.419 7.850 15.232 1.00 0.00 H new ATOM 0 HA GLN A 67 0.542 9.318 17.666 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.390 7.967 16.598 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.516 9.193 15.353 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.870 10.861 17.326 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.172 9.431 18.293 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.279 9.068 18.569 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.532 9.306 17.346 1.00 0.00 H new ATOM 1088 N SER A 68 0.060 11.659 17.074 1.00 0.00 N ATOM 1089 CA SER A 68 -0.227 13.056 16.768 1.00 0.00 C ATOM 1090 C SER A 68 0.950 13.948 17.150 1.00 0.00 C ATOM 1091 O SER A 68 1.384 13.963 18.302 1.00 0.00 O ATOM 1092 CB SER A 68 -1.489 13.513 17.502 1.00 0.00 C ATOM 1093 OG SER A 68 -2.656 13.052 16.845 1.00 0.00 O ATOM 0 H SER A 68 -0.131 11.391 18.039 1.00 0.00 H new ATOM 0 HA SER A 68 -0.391 13.141 15.694 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.473 13.140 18.526 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.506 14.601 17.559 1.00 0.00 H new ATOM 0 HG SER A 68 -3.449 13.356 17.335 1.00 0.00 H new ATOM 1099 N GLY A 69 1.462 14.693 16.175 1.00 0.00 N ATOM 1100 CA GLY A 69 2.583 15.578 16.428 1.00 0.00 C ATOM 1101 C GLY A 69 3.062 16.282 15.174 1.00 0.00 C ATOM 1102 O GLY A 69 2.329 16.416 14.194 1.00 0.00 O ATOM 0 H GLY A 69 1.120 14.699 15.214 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.294 16.322 17.170 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.405 15.004 16.855 1.00 0.00 H new ATOM 1106 N PRO A 70 4.320 16.746 15.194 1.00 0.00 N ATOM 1107 CA PRO A 70 4.923 17.449 14.058 1.00 0.00 C ATOM 1108 C PRO A 70 5.181 16.522 12.874 1.00 0.00 C ATOM 1109 O PRO A 70 5.220 15.301 13.027 1.00 0.00 O ATOM 1110 CB PRO A 70 6.245 17.972 14.625 1.00 0.00 C ATOM 1111 CG PRO A 70 6.570 17.044 15.745 1.00 0.00 C ATOM 1112 CD PRO A 70 5.251 16.621 16.329 1.00 0.00 C ATOM 0 HA PRO A 70 4.271 18.232 13.670 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.029 17.969 13.868 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.146 18.999 14.977 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.132 16.182 15.387 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.188 17.538 16.495 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.288 15.600 16.708 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.957 17.259 17.162 1.00 0.00 H new ATOM 1120 N SER A 71 5.356 17.110 11.695 1.00 0.00 N ATOM 1121 CA SER A 71 5.607 16.337 10.485 1.00 0.00 C ATOM 1122 C SER A 71 6.351 17.175 9.449 1.00 0.00 C ATOM 1123 O SER A 71 5.913 18.267 9.088 1.00 0.00 O ATOM 1124 CB SER A 71 4.289 15.830 9.896 1.00 0.00 C ATOM 1125 OG SER A 71 4.499 15.200 8.644 1.00 0.00 O ATOM 0 H SER A 71 5.329 18.120 11.552 1.00 0.00 H new ATOM 0 HA SER A 71 6.230 15.483 10.752 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.825 15.127 10.587 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.596 16.663 9.776 1.00 0.00 H new ATOM 0 HG SER A 71 3.642 14.883 8.289 1.00 0.00 H new ATOM 1131 N SER A 72 7.478 16.654 8.976 1.00 0.00 N ATOM 1132 CA SER A 72 8.286 17.355 7.984 1.00 0.00 C ATOM 1133 C SER A 72 7.434 17.781 6.792 1.00 0.00 C ATOM 1134 O SER A 72 6.828 16.948 6.119 1.00 0.00 O ATOM 1135 CB SER A 72 9.437 16.464 7.511 1.00 0.00 C ATOM 1136 OG SER A 72 8.951 15.341 6.797 1.00 0.00 O ATOM 0 H SER A 72 7.853 15.750 9.263 1.00 0.00 H new ATOM 0 HA SER A 72 8.697 18.249 8.452 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.110 17.040 6.875 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.019 16.129 8.370 1.00 0.00 H new ATOM 0 HG SER A 72 8.123 15.583 6.331 1.00 0.00 H new ATOM 1142 N GLY A 73 7.394 19.085 6.538 1.00 0.00 N ATOM 1143 CA GLY A 73 6.614 19.601 5.427 1.00 0.00 C ATOM 1144 C GLY A 73 5.194 19.948 5.828 1.00 0.00 C ATOM 1145 O GLY A 73 4.331 20.141 4.973 1.00 0.00 O ATOM 0 H GLY A 73 7.887 19.794 7.081 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.102 20.489 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.592 18.860 4.627 1.00 0.00 H new TER 1149 GLY A 73