USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 609 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 13 SER OG : rot -119:sc= 1.06 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.741 K(o=0.32,f=-3.2) USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0.111 USER MOD Set 2.2: A 11 THR OG1 : rot 120:sc= 1.7 USER MOD Set 3.1: A 1 GLY N :NH3+ 159:sc= -0.0476 (180deg=0) USER MOD Set 3.2: A 59 LYS NZ :NH3+ 180:sc= -0.0455 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -4.3! C(o=-4.3!,f=-3!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.605 K(o=-0.6,f=-5!) USER MOD Single : A 22 THR OG1 : rot 74:sc= 0.889 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.907 USER MOD Single : A 28 GLN : amide:sc= -0.435 K(o=-0.44,f=-2!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 45 GLN : amide:sc= -0.0609 K(o=-0.061,f=-3.4!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.15 K(o=-1.1,f=-1.9) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.27) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.25 K(o=-2.2,f=-4!) USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.125 (180deg=-0.687) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.817 -0.400 0.872 1.00 0.00 N ATOM 2 CA GLY A 1 2.707 -0.449 -0.273 1.00 0.00 C ATOM 3 C GLY A 1 3.008 0.926 -0.834 1.00 0.00 C ATOM 4 O GLY A 1 2.737 1.949 -0.204 1.00 0.00 O ATOM 0 H1 GLY A 1 1.363 -1.327 0.999 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.362 -0.162 1.725 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.087 0.324 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.640 -0.932 0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.258 -1.065 -1.052 1.00 0.00 H new ATOM 8 N PRO A 2 3.584 0.964 -2.044 1.00 0.00 N ATOM 9 CA PRO A 2 3.936 2.219 -2.715 1.00 0.00 C ATOM 10 C PRO A 2 2.707 2.999 -3.168 1.00 0.00 C ATOM 11 O PRO A 2 2.331 2.958 -4.340 1.00 0.00 O ATOM 12 CB PRO A 2 4.752 1.757 -3.925 1.00 0.00 C ATOM 13 CG PRO A 2 4.281 0.369 -4.193 1.00 0.00 C ATOM 14 CD PRO A 2 3.936 -0.216 -2.852 1.00 0.00 C ATOM 0 HA PRO A 2 4.475 2.897 -2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.585 2.405 -4.786 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.821 1.778 -3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.413 0.372 -4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.055 -0.218 -4.687 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.105 -0.918 -2.922 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.777 -0.760 -2.423 1.00 0.00 H new ATOM 22 N ARG A 3 2.084 3.708 -2.233 1.00 0.00 N ATOM 23 CA ARG A 3 0.896 4.497 -2.536 1.00 0.00 C ATOM 24 C ARG A 3 0.547 5.422 -1.374 1.00 0.00 C ATOM 25 O ARG A 3 0.772 5.089 -0.211 1.00 0.00 O ATOM 26 CB ARG A 3 -0.287 3.578 -2.844 1.00 0.00 C ATOM 27 CG ARG A 3 -0.499 2.488 -1.805 1.00 0.00 C ATOM 28 CD ARG A 3 -1.798 1.735 -2.044 1.00 0.00 C ATOM 29 NE ARG A 3 -1.907 0.550 -1.198 1.00 0.00 N ATOM 30 CZ ARG A 3 -3.019 -0.168 -1.079 1.00 0.00 C ATOM 31 NH1 ARG A 3 -4.110 0.177 -1.748 1.00 0.00 N ATOM 32 NH2 ARG A 3 -3.040 -1.234 -0.288 1.00 0.00 N ATOM 0 H ARG A 3 2.382 3.752 -1.259 1.00 0.00 H new ATOM 0 HA ARG A 3 1.110 5.108 -3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.193 4.179 -2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.132 3.114 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.338 1.790 -1.833 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.512 2.931 -0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.642 2.397 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.858 1.439 -3.091 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.085 0.257 -0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.098 0.996 -2.356 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.962 -0.376 -1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.202 -1.502 0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.894 -1.785 -0.197 1.00 0.00 H new ATOM 46 N LYS A 4 -0.005 6.587 -1.698 1.00 0.00 N ATOM 47 CA LYS A 4 -0.387 7.562 -0.683 1.00 0.00 C ATOM 48 C LYS A 4 -1.431 8.532 -1.226 1.00 0.00 C ATOM 49 O LYS A 4 -2.420 8.831 -0.558 1.00 0.00 O ATOM 50 CB LYS A 4 0.843 8.336 -0.202 1.00 0.00 C ATOM 51 CG LYS A 4 0.603 9.127 1.073 1.00 0.00 C ATOM 52 CD LYS A 4 0.198 8.221 2.223 1.00 0.00 C ATOM 53 CE LYS A 4 -1.279 8.368 2.556 1.00 0.00 C ATOM 54 NZ LYS A 4 -1.507 9.361 3.641 1.00 0.00 N ATOM 0 H LYS A 4 -0.198 6.879 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.821 7.022 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.661 7.635 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.163 9.019 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.508 9.672 1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.177 9.869 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.412 7.184 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.796 8.459 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.824 8.674 1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.681 7.401 2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.526 9.432 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.008 9.056 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.147 10.290 3.343 1.00 0.00 H new ATOM 68 N ASN A 5 -1.205 9.018 -2.442 1.00 0.00 N ATOM 69 CA ASN A 5 -2.128 9.953 -3.074 1.00 0.00 C ATOM 70 C ASN A 5 -2.196 9.716 -4.580 1.00 0.00 C ATOM 71 O ASN A 5 -1.770 8.672 -5.074 1.00 0.00 O ATOM 72 CB ASN A 5 -1.699 11.395 -2.793 1.00 0.00 C ATOM 73 CG ASN A 5 -0.387 11.749 -3.466 1.00 0.00 C ATOM 74 OD1 ASN A 5 0.571 10.976 -3.430 1.00 0.00 O ATOM 75 ND2 ASN A 5 -0.338 12.923 -4.085 1.00 0.00 N ATOM 0 H ASN A 5 -0.391 8.780 -3.009 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.119 9.787 -2.652 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.477 12.076 -3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.603 11.540 -1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.518 13.216 -4.556 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.156 13.532 -4.089 1.00 0.00 H new ATOM 82 N ARG A 6 -2.735 10.692 -5.304 1.00 0.00 N ATOM 83 CA ARG A 6 -2.860 10.589 -6.752 1.00 0.00 C ATOM 84 C ARG A 6 -1.611 9.960 -7.362 1.00 0.00 C ATOM 85 O ARG A 6 -0.490 10.387 -7.085 1.00 0.00 O ATOM 86 CB ARG A 6 -3.098 11.971 -7.364 1.00 0.00 C ATOM 87 CG ARG A 6 -2.175 13.047 -6.817 1.00 0.00 C ATOM 88 CD ARG A 6 -2.684 14.441 -7.151 1.00 0.00 C ATOM 89 NE ARG A 6 -2.371 15.404 -6.099 1.00 0.00 N ATOM 90 CZ ARG A 6 -2.996 16.568 -5.958 1.00 0.00 C ATOM 91 NH1 ARG A 6 -3.963 16.910 -6.798 1.00 0.00 N ATOM 92 NH2 ARG A 6 -2.654 17.391 -4.976 1.00 0.00 N ATOM 0 H ARG A 6 -3.092 11.563 -4.911 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.714 9.949 -6.973 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.968 11.908 -8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.132 12.265 -7.184 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.090 12.939 -5.736 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.175 12.915 -7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.241 14.773 -8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.763 14.407 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.632 15.170 -5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.228 16.279 -7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.442 17.804 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.910 17.131 -4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.134 18.284 -4.869 1.00 0.00 H new ATOM 106 N ARG A 7 -1.813 8.943 -8.194 1.00 0.00 N ATOM 107 CA ARG A 7 -0.703 8.253 -8.841 1.00 0.00 C ATOM 108 C ARG A 7 0.180 9.239 -9.601 1.00 0.00 C ATOM 109 O ARG A 7 -0.153 10.417 -9.724 1.00 0.00 O ATOM 110 CB ARG A 7 -1.229 7.181 -9.797 1.00 0.00 C ATOM 111 CG ARG A 7 -2.131 6.158 -9.128 1.00 0.00 C ATOM 112 CD ARG A 7 -2.773 5.230 -10.147 1.00 0.00 C ATOM 113 NE ARG A 7 -3.419 4.084 -9.513 1.00 0.00 N ATOM 114 CZ ARG A 7 -4.143 3.188 -10.176 1.00 0.00 C ATOM 115 NH1 ARG A 7 -4.310 3.305 -11.486 1.00 0.00 N ATOM 116 NH2 ARG A 7 -4.699 2.172 -9.529 1.00 0.00 N ATOM 0 H ARG A 7 -2.735 8.579 -8.436 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.103 7.776 -8.066 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.779 7.665 -10.604 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.383 6.665 -10.252 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.552 5.572 -8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.908 6.672 -8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.509 5.785 -10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.014 4.878 -10.845 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.309 3.965 -8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.882 4.084 -11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.866 2.616 -11.993 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.571 2.078 -8.521 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.254 1.485 -10.039 1.00 0.00 H new ATOM 130 N GLU A 8 1.307 8.747 -10.107 1.00 0.00 N ATOM 131 CA GLU A 8 2.238 9.586 -10.853 1.00 0.00 C ATOM 132 C GLU A 8 3.066 8.748 -11.823 1.00 0.00 C ATOM 133 O GLU A 8 2.832 8.765 -13.032 1.00 0.00 O ATOM 134 CB GLU A 8 3.162 10.339 -9.894 1.00 0.00 C ATOM 135 CG GLU A 8 4.339 11.009 -10.584 1.00 0.00 C ATOM 136 CD GLU A 8 3.913 11.884 -11.746 1.00 0.00 C ATOM 137 OE1 GLU A 8 2.866 12.556 -11.629 1.00 0.00 O ATOM 138 OE2 GLU A 8 4.624 11.898 -12.772 1.00 0.00 O ATOM 0 H GLU A 8 1.597 7.773 -10.014 1.00 0.00 H new ATOM 0 HA GLU A 8 1.657 10.308 -11.427 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.583 11.096 -9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.539 9.643 -9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.884 11.614 -9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.028 10.245 -10.943 1.00 0.00 H new ATOM 145 N ARG A 9 4.037 8.017 -11.285 1.00 0.00 N ATOM 146 CA ARG A 9 4.902 7.175 -12.102 1.00 0.00 C ATOM 147 C ARG A 9 4.120 6.007 -12.697 1.00 0.00 C ATOM 148 O ARG A 9 4.149 5.778 -13.906 1.00 0.00 O ATOM 149 CB ARG A 9 6.071 6.647 -11.268 1.00 0.00 C ATOM 150 CG ARG A 9 7.431 7.106 -11.768 1.00 0.00 C ATOM 151 CD ARG A 9 8.010 6.130 -12.780 1.00 0.00 C ATOM 152 NE ARG A 9 9.028 6.754 -13.622 1.00 0.00 N ATOM 153 CZ ARG A 9 8.750 7.610 -14.599 1.00 0.00 C ATOM 154 NH1 ARG A 9 7.492 7.942 -14.856 1.00 0.00 N ATOM 155 NH2 ARG A 9 9.731 8.136 -15.321 1.00 0.00 N ATOM 0 H ARG A 9 4.244 7.991 -10.287 1.00 0.00 H new ATOM 0 HA ARG A 9 5.292 7.783 -12.919 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.945 6.971 -10.235 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.042 5.557 -11.266 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.339 8.092 -12.223 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.115 7.207 -10.925 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.445 5.279 -12.255 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.209 5.741 -13.408 1.00 0.00 H new ATOM 0 HE ARG A 9 10.006 6.520 -13.450 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.735 7.540 -14.303 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.281 8.600 -15.607 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.700 7.883 -15.126 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.516 8.793 -16.071 1.00 0.00 H new ATOM 169 N THR A 10 3.421 5.271 -11.838 1.00 0.00 N ATOM 170 CA THR A 10 2.632 4.127 -12.277 1.00 0.00 C ATOM 171 C THR A 10 1.864 3.510 -11.114 1.00 0.00 C ATOM 172 O THR A 10 1.884 4.028 -9.997 1.00 0.00 O ATOM 173 CB THR A 10 3.521 3.047 -12.922 1.00 0.00 C ATOM 174 OG1 THR A 10 2.710 2.112 -13.643 1.00 0.00 O ATOM 175 CG2 THR A 10 4.333 2.313 -11.866 1.00 0.00 C ATOM 0 H THR A 10 3.386 5.447 -10.834 1.00 0.00 H new ATOM 0 HA THR A 10 1.925 4.496 -13.020 1.00 0.00 H new ATOM 0 HB THR A 10 4.209 3.537 -13.611 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.282 1.430 -14.052 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.953 1.555 -12.345 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.970 3.023 -11.339 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.659 1.834 -11.156 1.00 0.00 H new ATOM 183 N THR A 11 1.187 2.397 -11.382 1.00 0.00 N ATOM 184 CA THR A 11 0.412 1.709 -10.358 1.00 0.00 C ATOM 185 C THR A 11 1.249 1.462 -9.108 1.00 0.00 C ATOM 186 O THR A 11 0.861 1.845 -8.004 1.00 0.00 O ATOM 187 CB THR A 11 -0.130 0.362 -10.874 1.00 0.00 C ATOM 188 OG1 THR A 11 0.953 -0.467 -11.309 1.00 0.00 O ATOM 189 CG2 THR A 11 -1.106 0.575 -12.021 1.00 0.00 C ATOM 0 H THR A 11 1.160 1.953 -12.300 1.00 0.00 H new ATOM 0 HA THR A 11 -0.427 2.358 -10.107 1.00 0.00 H new ATOM 0 HB THR A 11 -0.657 -0.130 -10.057 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.960 -1.296 -10.787 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.475 -0.390 -12.369 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.944 1.182 -11.678 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.599 1.086 -12.840 1.00 0.00 H new ATOM 197 N TYR A 12 2.398 0.821 -9.289 1.00 0.00 N ATOM 198 CA TYR A 12 3.289 0.522 -8.174 1.00 0.00 C ATOM 199 C TYR A 12 4.693 0.193 -8.673 1.00 0.00 C ATOM 200 O TYR A 12 4.921 -0.855 -9.276 1.00 0.00 O ATOM 201 CB TYR A 12 2.741 -0.648 -7.355 1.00 0.00 C ATOM 202 CG TYR A 12 2.219 -1.788 -8.201 1.00 0.00 C ATOM 203 CD1 TYR A 12 0.923 -1.771 -8.701 1.00 0.00 C ATOM 204 CD2 TYR A 12 3.023 -2.880 -8.501 1.00 0.00 C ATOM 205 CE1 TYR A 12 0.442 -2.811 -9.473 1.00 0.00 C ATOM 206 CE2 TYR A 12 2.551 -3.924 -9.274 1.00 0.00 C ATOM 207 CZ TYR A 12 1.260 -3.884 -9.757 1.00 0.00 C ATOM 208 OH TYR A 12 0.785 -4.921 -10.527 1.00 0.00 O ATOM 0 H TYR A 12 2.734 0.499 -10.196 1.00 0.00 H new ATOM 0 HA TYR A 12 3.345 1.407 -7.540 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.528 -1.023 -6.701 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.938 -0.286 -6.713 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.281 -0.931 -8.483 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.034 -2.914 -8.124 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.569 -2.784 -9.852 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.189 -4.766 -9.498 1.00 0.00 H new ATOM 0 HH TYR A 12 1.487 -5.597 -10.634 1.00 0.00 H new ATOM 218 N SER A 13 5.632 1.098 -8.415 1.00 0.00 N ATOM 219 CA SER A 13 7.014 0.908 -8.840 1.00 0.00 C ATOM 220 C SER A 13 7.983 1.289 -7.724 1.00 0.00 C ATOM 221 O SER A 13 7.572 1.775 -6.670 1.00 0.00 O ATOM 222 CB SER A 13 7.305 1.741 -10.089 1.00 0.00 C ATOM 223 OG SER A 13 8.601 1.467 -10.595 1.00 0.00 O ATOM 0 H SER A 13 5.461 1.970 -7.914 1.00 0.00 H new ATOM 0 HA SER A 13 7.154 -0.147 -9.075 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.559 1.527 -10.855 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.221 2.801 -9.850 1.00 0.00 H new ATOM 0 HG SER A 13 9.137 2.288 -10.584 1.00 0.00 H new ATOM 229 N ARG A 14 9.270 1.064 -7.964 1.00 0.00 N ATOM 230 CA ARG A 14 10.298 1.382 -6.980 1.00 0.00 C ATOM 231 C ARG A 14 10.529 2.889 -6.903 1.00 0.00 C ATOM 232 O ARG A 14 11.023 3.399 -5.898 1.00 0.00 O ATOM 233 CB ARG A 14 11.607 0.672 -7.331 1.00 0.00 C ATOM 234 CG ARG A 14 12.086 0.942 -8.748 1.00 0.00 C ATOM 235 CD ARG A 14 11.852 -0.257 -9.653 1.00 0.00 C ATOM 236 NE ARG A 14 12.929 -0.427 -10.625 1.00 0.00 N ATOM 237 CZ ARG A 14 12.937 -1.376 -11.554 1.00 0.00 C ATOM 238 NH1 ARG A 14 11.931 -2.236 -11.637 1.00 0.00 N ATOM 239 NH2 ARG A 14 13.953 -1.467 -12.403 1.00 0.00 N ATOM 0 H ARG A 14 9.626 0.663 -8.831 1.00 0.00 H new ATOM 0 HA ARG A 14 9.954 1.034 -6.006 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.380 0.986 -6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.474 -0.402 -7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.564 1.810 -9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.148 1.187 -8.734 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.766 -1.158 -9.046 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.905 -0.135 -10.179 1.00 0.00 H new ATOM 0 HE ARG A 14 13.718 0.218 -10.588 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.148 -2.170 -10.986 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.940 -2.964 -12.352 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.729 -0.808 -12.342 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.958 -2.196 -13.116 1.00 0.00 H new ATOM 253 N GLN A 15 10.168 3.593 -7.971 1.00 0.00 N ATOM 254 CA GLN A 15 10.338 5.040 -8.023 1.00 0.00 C ATOM 255 C GLN A 15 9.607 5.716 -6.868 1.00 0.00 C ATOM 256 O GLN A 15 10.195 6.502 -6.125 1.00 0.00 O ATOM 257 CB GLN A 15 9.824 5.587 -9.357 1.00 0.00 C ATOM 258 CG GLN A 15 10.817 5.437 -10.498 1.00 0.00 C ATOM 259 CD GLN A 15 11.319 4.015 -10.652 1.00 0.00 C ATOM 260 OE1 GLN A 15 10.606 3.144 -11.152 1.00 0.00 O ATOM 261 NE2 GLN A 15 12.552 3.773 -10.224 1.00 0.00 N ATOM 0 H GLN A 15 9.757 3.185 -8.811 1.00 0.00 H new ATOM 0 HA GLN A 15 11.402 5.259 -7.933 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.900 5.072 -9.620 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.577 6.642 -9.237 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.346 5.755 -11.428 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.664 6.101 -10.327 1.00 0.00 H new ATOM 0 HE21 GLN A 15 13.107 4.525 -9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.944 2.835 -10.303 1.00 0.00 H new ATOM 270 N GLN A 16 8.323 5.405 -6.723 1.00 0.00 N ATOM 271 CA GLN A 16 7.512 5.984 -5.658 1.00 0.00 C ATOM 272 C GLN A 16 8.140 5.724 -4.293 1.00 0.00 C ATOM 273 O GLN A 16 7.987 6.519 -3.366 1.00 0.00 O ATOM 274 CB GLN A 16 6.095 5.411 -5.699 1.00 0.00 C ATOM 275 CG GLN A 16 5.251 5.953 -6.841 1.00 0.00 C ATOM 276 CD GLN A 16 5.348 5.104 -8.093 1.00 0.00 C ATOM 277 OE1 GLN A 16 6.347 5.147 -8.810 1.00 0.00 O ATOM 278 NE2 GLN A 16 4.307 4.325 -8.362 1.00 0.00 N ATOM 0 H GLN A 16 7.822 4.756 -7.329 1.00 0.00 H new ATOM 0 HA GLN A 16 7.465 7.061 -5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.153 4.326 -5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.596 5.630 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.210 6.008 -6.524 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.568 6.970 -7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.499 4.321 -7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.315 3.731 -9.191 1.00 0.00 H new ATOM 287 N LEU A 17 8.847 4.605 -4.177 1.00 0.00 N ATOM 288 CA LEU A 17 9.499 4.239 -2.924 1.00 0.00 C ATOM 289 C LEU A 17 10.914 4.805 -2.860 1.00 0.00 C ATOM 290 O LEU A 17 11.547 4.801 -1.805 1.00 0.00 O ATOM 291 CB LEU A 17 9.539 2.717 -2.773 1.00 0.00 C ATOM 292 CG LEU A 17 8.184 2.014 -2.701 1.00 0.00 C ATOM 293 CD1 LEU A 17 8.177 0.776 -3.586 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.849 1.645 -1.263 1.00 0.00 C ATOM 0 H LEU A 17 8.983 3.936 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 17 8.920 4.665 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.096 2.303 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.099 2.476 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 17 7.421 2.701 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.204 0.288 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.370 1.066 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.952 0.086 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.881 1.145 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.615 0.976 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.811 2.549 -0.655 1.00 0.00 H new ATOM 306 N GLU A 18 11.402 5.294 -3.996 1.00 0.00 N ATOM 307 CA GLU A 18 12.742 5.865 -4.068 1.00 0.00 C ATOM 308 C GLU A 18 12.798 7.211 -3.352 1.00 0.00 C ATOM 309 O GLU A 18 13.759 7.508 -2.641 1.00 0.00 O ATOM 310 CB GLU A 18 13.171 6.033 -5.527 1.00 0.00 C ATOM 311 CG GLU A 18 13.586 4.732 -6.193 1.00 0.00 C ATOM 312 CD GLU A 18 15.090 4.605 -6.338 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.636 5.114 -7.339 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.722 3.996 -5.449 1.00 0.00 O ATOM 0 H GLU A 18 10.890 5.306 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 18 13.429 5.180 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.348 6.473 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.002 6.737 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.209 3.893 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.123 4.668 -7.178 1.00 0.00 H new ATOM 321 N ILE A 19 11.763 8.021 -3.545 1.00 0.00 N ATOM 322 CA ILE A 19 11.694 9.335 -2.918 1.00 0.00 C ATOM 323 C ILE A 19 12.114 9.268 -1.453 1.00 0.00 C ATOM 324 O ILE A 19 12.788 10.167 -0.947 1.00 0.00 O ATOM 325 CB ILE A 19 10.276 9.928 -3.006 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.769 9.880 -4.449 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.265 11.356 -2.482 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.608 8.932 -4.650 1.00 0.00 C ATOM 0 H ILE A 19 10.960 7.790 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 19 12.383 9.980 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 19 9.609 9.330 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.466 10.882 -4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.588 9.582 -5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.255 11.761 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.589 11.364 -1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.943 11.967 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.301 8.949 -5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.912 7.921 -4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.773 9.241 -4.021 1.00 0.00 H new ATOM 340 N LEU A 20 11.715 8.196 -0.778 1.00 0.00 N ATOM 341 CA LEU A 20 12.051 8.010 0.630 1.00 0.00 C ATOM 342 C LEU A 20 13.312 7.165 0.781 1.00 0.00 C ATOM 343 O LEU A 20 14.322 7.630 1.309 1.00 0.00 O ATOM 344 CB LEU A 20 10.888 7.346 1.369 1.00 0.00 C ATOM 345 CG LEU A 20 9.506 7.516 0.736 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.261 8.972 0.373 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.368 6.628 -0.491 1.00 0.00 C ATOM 0 H LEU A 20 11.159 7.443 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 20 12.238 8.991 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.098 6.280 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.853 7.745 2.383 1.00 0.00 H new ATOM 0 HG LEU A 20 8.754 7.213 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.273 9.074 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.316 9.585 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.018 9.302 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.378 6.762 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.128 6.899 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.498 5.585 -0.202 1.00 0.00 H new ATOM 359 N GLU A 21 13.247 5.924 0.310 1.00 0.00 N ATOM 360 CA GLU A 21 14.385 5.015 0.392 1.00 0.00 C ATOM 361 C GLU A 21 15.679 5.730 0.014 1.00 0.00 C ATOM 362 O GLU A 21 16.759 5.378 0.490 1.00 0.00 O ATOM 363 CB GLU A 21 14.169 3.808 -0.523 1.00 0.00 C ATOM 364 CG GLU A 21 14.616 2.492 0.091 1.00 0.00 C ATOM 365 CD GLU A 21 15.001 1.462 -0.954 1.00 0.00 C ATOM 366 OE1 GLU A 21 15.732 1.823 -1.900 1.00 0.00 O ATOM 367 OE2 GLU A 21 14.572 0.297 -0.825 1.00 0.00 O ATOM 0 H GLU A 21 12.419 5.525 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 21 14.469 4.669 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.111 3.740 -0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.711 3.967 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.466 2.672 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.813 2.093 0.711 1.00 0.00 H new ATOM 374 N THR A 22 15.563 6.736 -0.848 1.00 0.00 N ATOM 375 CA THR A 22 16.723 7.499 -1.292 1.00 0.00 C ATOM 376 C THR A 22 16.952 8.717 -0.405 1.00 0.00 C ATOM 377 O THR A 22 18.045 8.911 0.130 1.00 0.00 O ATOM 378 CB THR A 22 16.563 7.964 -2.752 1.00 0.00 C ATOM 379 OG1 THR A 22 16.127 6.872 -3.569 1.00 0.00 O ATOM 380 CG2 THR A 22 17.874 8.516 -3.291 1.00 0.00 C ATOM 0 H THR A 22 14.678 7.041 -1.252 1.00 0.00 H new ATOM 0 HA THR A 22 17.585 6.835 -1.222 1.00 0.00 H new ATOM 0 HB THR A 22 15.816 8.757 -2.778 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.182 6.685 -3.389 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.736 8.838 -4.323 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.188 9.366 -2.685 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.639 7.740 -3.252 1.00 0.00 H new ATOM 388 N LEU A 23 15.917 9.535 -0.251 1.00 0.00 N ATOM 389 CA LEU A 23 16.006 10.735 0.573 1.00 0.00 C ATOM 390 C LEU A 23 16.028 10.377 2.055 1.00 0.00 C ATOM 391 O LEU A 23 17.022 10.604 2.745 1.00 0.00 O ATOM 392 CB LEU A 23 14.830 11.668 0.279 1.00 0.00 C ATOM 393 CG LEU A 23 14.949 13.091 0.825 1.00 0.00 C ATOM 394 CD1 LEU A 23 13.980 14.020 0.110 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.700 13.110 2.326 1.00 0.00 C ATOM 0 H LEU A 23 15.006 9.389 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 23 16.937 11.246 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.699 11.725 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.925 11.218 0.687 1.00 0.00 H new ATOM 0 HG LEU A 23 15.963 13.446 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.079 15.028 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.206 14.031 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.960 13.668 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.789 14.131 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.698 12.735 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.435 12.478 2.825 1.00 0.00 H new ATOM 407 N PHE A 24 14.925 9.814 2.539 1.00 0.00 N ATOM 408 CA PHE A 24 14.818 9.423 3.940 1.00 0.00 C ATOM 409 C PHE A 24 16.089 8.721 4.408 1.00 0.00 C ATOM 410 O PHE A 24 16.517 8.885 5.549 1.00 0.00 O ATOM 411 CB PHE A 24 13.610 8.506 4.144 1.00 0.00 C ATOM 412 CG PHE A 24 13.508 7.951 5.536 1.00 0.00 C ATOM 413 CD1 PHE A 24 13.360 8.797 6.624 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.559 6.584 5.757 1.00 0.00 C ATOM 415 CE1 PHE A 24 13.264 8.289 7.906 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.464 6.071 7.037 1.00 0.00 C ATOM 417 CZ PHE A 24 13.318 6.925 8.113 1.00 0.00 C ATOM 0 H PHE A 24 14.093 9.619 1.982 1.00 0.00 H new ATOM 0 HA PHE A 24 14.684 10.327 4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.700 9.061 3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.667 7.680 3.435 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.319 9.865 6.468 1.00 0.00 H new ATOM 0 HD2 PHE A 24 13.674 5.912 4.920 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.147 8.959 8.745 1.00 0.00 H new ATOM 0 HE2 PHE A 24 13.504 5.003 7.196 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.246 6.526 9.114 1.00 0.00 H new ATOM 427 N ASN A 25 16.688 7.938 3.516 1.00 0.00 N ATOM 428 CA ASN A 25 17.910 7.210 3.837 1.00 0.00 C ATOM 429 C ASN A 25 19.128 8.122 3.740 1.00 0.00 C ATOM 430 O ASN A 25 20.001 8.102 4.607 1.00 0.00 O ATOM 431 CB ASN A 25 18.078 6.015 2.896 1.00 0.00 C ATOM 432 CG ASN A 25 19.085 5.007 3.416 1.00 0.00 C ATOM 433 OD1 ASN A 25 18.776 4.198 4.290 1.00 0.00 O ATOM 434 ND2 ASN A 25 20.299 5.054 2.878 1.00 0.00 N ATOM 0 H ASN A 25 16.347 7.792 2.566 1.00 0.00 H new ATOM 0 HA ASN A 25 17.829 6.849 4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.114 5.525 2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.396 6.370 1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.020 4.402 3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.510 5.742 2.155 1.00 0.00 H new ATOM 441 N GLU A 26 19.179 8.922 2.680 1.00 0.00 N ATOM 442 CA GLU A 26 20.291 9.842 2.470 1.00 0.00 C ATOM 443 C GLU A 26 20.510 10.720 3.699 1.00 0.00 C ATOM 444 O GLU A 26 21.643 10.931 4.132 1.00 0.00 O ATOM 445 CB GLU A 26 20.032 10.719 1.243 1.00 0.00 C ATOM 446 CG GLU A 26 21.088 11.790 1.027 1.00 0.00 C ATOM 447 CD GLU A 26 22.451 11.210 0.706 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.654 10.777 -0.447 1.00 0.00 O ATOM 449 OE2 GLU A 26 23.315 11.189 1.608 1.00 0.00 O ATOM 0 H GLU A 26 18.464 8.952 1.953 1.00 0.00 H new ATOM 0 HA GLU A 26 21.191 9.251 2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.983 10.085 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.058 11.197 1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.775 12.444 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.162 12.408 1.922 1.00 0.00 H new ATOM 456 N THR A 27 19.416 11.231 4.256 1.00 0.00 N ATOM 457 CA THR A 27 19.487 12.087 5.434 1.00 0.00 C ATOM 458 C THR A 27 18.094 12.450 5.934 1.00 0.00 C ATOM 459 O THR A 27 17.090 12.055 5.342 1.00 0.00 O ATOM 460 CB THR A 27 20.268 13.382 5.140 1.00 0.00 C ATOM 461 OG1 THR A 27 20.374 13.581 3.726 1.00 0.00 O ATOM 462 CG2 THR A 27 21.659 13.326 5.755 1.00 0.00 C ATOM 0 H THR A 27 18.471 11.067 3.910 1.00 0.00 H new ATOM 0 HA THR A 27 20.011 11.522 6.205 1.00 0.00 H new ATOM 0 HB THR A 27 19.725 14.216 5.584 1.00 0.00 H new ATOM 0 HG1 THR A 27 20.870 14.407 3.548 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.192 14.251 5.534 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.575 13.204 6.835 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.208 12.482 5.337 1.00 0.00 H new ATOM 470 N GLN A 28 18.040 13.205 7.027 1.00 0.00 N ATOM 471 CA GLN A 28 16.768 13.621 7.606 1.00 0.00 C ATOM 472 C GLN A 28 16.558 15.122 7.437 1.00 0.00 C ATOM 473 O GLN A 28 16.035 15.790 8.329 1.00 0.00 O ATOM 474 CB GLN A 28 16.714 13.250 9.089 1.00 0.00 C ATOM 475 CG GLN A 28 17.791 13.924 9.924 1.00 0.00 C ATOM 476 CD GLN A 28 19.104 13.167 9.905 1.00 0.00 C ATOM 477 OE1 GLN A 28 20.053 13.565 9.229 1.00 0.00 O ATOM 478 NE2 GLN A 28 19.165 12.068 10.648 1.00 0.00 N ATOM 0 H GLN A 28 18.862 13.541 7.529 1.00 0.00 H new ATOM 0 HA GLN A 28 15.969 13.100 7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.736 13.519 9.487 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.812 12.169 9.188 1.00 0.00 H new ATOM 0 HG2 GLN A 28 17.954 14.935 9.552 1.00 0.00 H new ATOM 0 HG3 GLN A 28 17.444 14.015 10.953 1.00 0.00 H new ATOM 0 HE21 GLN A 28 18.354 11.775 11.193 1.00 0.00 H new ATOM 0 HE22 GLN A 28 20.023 11.517 10.674 1.00 0.00 H new ATOM 487 N TYR A 29 16.970 15.646 6.287 1.00 0.00 N ATOM 488 CA TYR A 29 16.829 17.069 6.002 1.00 0.00 C ATOM 489 C TYR A 29 15.807 17.303 4.894 1.00 0.00 C ATOM 490 O TYR A 29 16.152 17.524 3.733 1.00 0.00 O ATOM 491 CB TYR A 29 18.179 17.666 5.602 1.00 0.00 C ATOM 492 CG TYR A 29 19.248 17.507 6.659 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.078 18.036 7.933 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.429 16.829 6.384 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.053 17.893 8.901 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.409 16.680 7.347 1.00 0.00 C ATOM 497 CZ TYR A 29 21.216 17.214 8.604 1.00 0.00 C ATOM 498 OH TYR A 29 22.190 17.070 9.565 1.00 0.00 O ATOM 0 H TYR A 29 17.404 15.107 5.538 1.00 0.00 H new ATOM 0 HA TYR A 29 16.476 17.563 6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.518 17.192 4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.048 18.726 5.386 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.168 18.568 8.170 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.584 16.411 5.400 1.00 0.00 H new ATOM 0 HE1 TYR A 29 19.905 18.311 9.886 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.321 16.149 7.117 1.00 0.00 H new ATOM 0 HH TYR A 29 22.944 16.566 9.194 1.00 0.00 H new ATOM 508 N PRO A 30 14.517 17.255 5.259 1.00 0.00 N ATOM 509 CA PRO A 30 13.418 17.461 4.311 1.00 0.00 C ATOM 510 C PRO A 30 13.330 18.906 3.831 1.00 0.00 C ATOM 511 O PRO A 30 12.489 19.675 4.298 1.00 0.00 O ATOM 512 CB PRO A 30 12.175 17.091 5.124 1.00 0.00 C ATOM 513 CG PRO A 30 12.567 17.322 6.543 1.00 0.00 C ATOM 514 CD PRO A 30 14.033 16.996 6.625 1.00 0.00 C ATOM 0 HA PRO A 30 13.544 16.868 3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.321 17.708 4.844 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.887 16.053 4.957 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.380 18.355 6.837 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.988 16.689 7.216 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.543 17.621 7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.198 15.960 6.920 1.00 0.00 H new ATOM 522 N ASP A 31 14.202 19.268 2.897 1.00 0.00 N ATOM 523 CA ASP A 31 14.221 20.621 2.352 1.00 0.00 C ATOM 524 C ASP A 31 14.069 20.598 0.834 1.00 0.00 C ATOM 525 O ASP A 31 14.052 19.532 0.218 1.00 0.00 O ATOM 526 CB ASP A 31 15.520 21.330 2.736 1.00 0.00 C ATOM 527 CG ASP A 31 16.673 20.364 2.925 1.00 0.00 C ATOM 528 OD1 ASP A 31 16.872 19.498 2.047 1.00 0.00 O ATOM 529 OD2 ASP A 31 17.378 20.474 3.950 1.00 0.00 O ATOM 0 H ASP A 31 14.905 18.644 2.501 1.00 0.00 H new ATOM 0 HA ASP A 31 13.379 21.168 2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.779 22.053 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.365 21.891 3.657 1.00 0.00 H new ATOM 534 N VAL A 32 13.958 21.780 0.238 1.00 0.00 N ATOM 535 CA VAL A 32 13.807 21.896 -1.208 1.00 0.00 C ATOM 536 C VAL A 32 14.903 21.128 -1.938 1.00 0.00 C ATOM 537 O VAL A 32 14.643 20.449 -2.932 1.00 0.00 O ATOM 538 CB VAL A 32 13.840 23.368 -1.659 1.00 0.00 C ATOM 539 CG1 VAL A 32 12.461 23.997 -1.532 1.00 0.00 C ATOM 540 CG2 VAL A 32 14.868 24.149 -0.854 1.00 0.00 C ATOM 0 H VAL A 32 13.970 22.671 0.734 1.00 0.00 H new ATOM 0 HA VAL A 32 12.837 21.468 -1.461 1.00 0.00 H new ATOM 0 HB VAL A 32 14.133 23.402 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.504 25.037 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.754 23.452 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.136 23.953 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.878 25.187 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.609 24.109 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.855 23.711 -1.002 1.00 0.00 H new ATOM 550 N PHE A 33 16.129 21.238 -1.438 1.00 0.00 N ATOM 551 CA PHE A 33 17.266 20.554 -2.043 1.00 0.00 C ATOM 552 C PHE A 33 17.035 19.046 -2.081 1.00 0.00 C ATOM 553 O PHE A 33 17.620 18.338 -2.900 1.00 0.00 O ATOM 554 CB PHE A 33 18.548 20.865 -1.267 1.00 0.00 C ATOM 555 CG PHE A 33 19.625 21.481 -2.114 1.00 0.00 C ATOM 556 CD1 PHE A 33 20.529 20.682 -2.797 1.00 0.00 C ATOM 557 CD2 PHE A 33 19.736 22.857 -2.226 1.00 0.00 C ATOM 558 CE1 PHE A 33 21.521 21.245 -3.576 1.00 0.00 C ATOM 559 CE2 PHE A 33 20.726 23.426 -3.004 1.00 0.00 C ATOM 560 CZ PHE A 33 21.621 22.618 -3.679 1.00 0.00 C ATOM 0 H PHE A 33 16.361 21.794 -0.615 1.00 0.00 H new ATOM 0 HA PHE A 33 17.373 20.914 -3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.311 21.541 -0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 33 18.927 19.945 -0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.457 19.607 -2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 33 19.040 23.493 -1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 33 22.218 20.611 -4.104 1.00 0.00 H new ATOM 0 HE2 PHE A 33 20.800 24.500 -3.084 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.397 23.060 -4.286 1.00 0.00 H new ATOM 570 N ALA A 34 16.179 18.561 -1.187 1.00 0.00 N ATOM 571 CA ALA A 34 15.869 17.139 -1.119 1.00 0.00 C ATOM 572 C ALA A 34 14.733 16.778 -2.070 1.00 0.00 C ATOM 573 O ALA A 34 14.920 16.005 -3.010 1.00 0.00 O ATOM 574 CB ALA A 34 15.513 16.744 0.307 1.00 0.00 C ATOM 0 H ALA A 34 15.688 19.133 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 34 16.755 16.584 -1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.284 15.679 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.356 16.956 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.644 17.314 0.636 1.00 0.00 H new ATOM 580 N ARG A 35 13.556 17.341 -1.819 1.00 0.00 N ATOM 581 CA ARG A 35 12.389 17.076 -2.652 1.00 0.00 C ATOM 582 C ARG A 35 12.686 17.384 -4.116 1.00 0.00 C ATOM 583 O ARG A 35 12.341 16.608 -5.006 1.00 0.00 O ATOM 584 CB ARG A 35 11.197 17.908 -2.176 1.00 0.00 C ATOM 585 CG ARG A 35 11.494 19.395 -2.075 1.00 0.00 C ATOM 586 CD ARG A 35 10.297 20.167 -1.541 1.00 0.00 C ATOM 587 NE ARG A 35 10.666 21.063 -0.449 1.00 0.00 N ATOM 588 CZ ARG A 35 10.803 20.668 0.812 1.00 0.00 C ATOM 589 NH1 ARG A 35 10.602 19.398 1.137 1.00 0.00 N ATOM 590 NH2 ARG A 35 11.142 21.543 1.750 1.00 0.00 N ATOM 0 H ARG A 35 13.385 17.984 -1.046 1.00 0.00 H new ATOM 0 HA ARG A 35 12.143 16.018 -2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.363 17.758 -2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.876 17.543 -1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.351 19.552 -1.420 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.768 19.780 -3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.849 20.746 -2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.539 19.465 -1.193 1.00 0.00 H new ATOM 0 HE ARG A 35 10.828 22.046 -0.666 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.342 18.723 0.418 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.708 19.097 2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.298 22.520 1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.247 21.238 2.718 1.00 0.00 H new ATOM 604 N GLU A 36 13.327 18.524 -4.358 1.00 0.00 N ATOM 605 CA GLU A 36 13.669 18.934 -5.715 1.00 0.00 C ATOM 606 C GLU A 36 14.636 17.943 -6.356 1.00 0.00 C ATOM 607 O GLU A 36 14.682 17.807 -7.579 1.00 0.00 O ATOM 608 CB GLU A 36 14.287 20.334 -5.707 1.00 0.00 C ATOM 609 CG GLU A 36 14.605 20.866 -7.095 1.00 0.00 C ATOM 610 CD GLU A 36 15.215 22.254 -7.061 1.00 0.00 C ATOM 611 OE1 GLU A 36 16.133 22.478 -6.244 1.00 0.00 O ATOM 612 OE2 GLU A 36 14.777 23.115 -7.851 1.00 0.00 O ATOM 0 H GLU A 36 13.619 19.179 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 36 12.752 18.952 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.602 21.022 -5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.202 20.315 -5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.293 20.183 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.692 20.889 -7.690 1.00 0.00 H new ATOM 619 N ARG A 37 15.407 17.254 -5.522 1.00 0.00 N ATOM 620 CA ARG A 37 16.374 16.276 -6.006 1.00 0.00 C ATOM 621 C ARG A 37 15.676 14.993 -6.448 1.00 0.00 C ATOM 622 O ARG A 37 15.733 14.614 -7.617 1.00 0.00 O ATOM 623 CB ARG A 37 17.402 15.962 -4.918 1.00 0.00 C ATOM 624 CG ARG A 37 18.467 14.969 -5.355 1.00 0.00 C ATOM 625 CD ARG A 37 18.858 14.036 -4.219 1.00 0.00 C ATOM 626 NE ARG A 37 20.088 13.305 -4.510 1.00 0.00 N ATOM 627 CZ ARG A 37 21.288 13.874 -4.552 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.418 15.174 -4.323 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.361 13.143 -4.824 1.00 0.00 N ATOM 0 H ARG A 37 15.381 17.355 -4.507 1.00 0.00 H new ATOM 0 HA ARG A 37 16.886 16.705 -6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 37 17.886 16.888 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.884 15.566 -4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.097 14.384 -6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.348 15.508 -5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.988 14.614 -3.304 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.050 13.328 -4.037 1.00 0.00 H new ATOM 0 HE ARG A 37 20.023 12.303 -4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.595 15.740 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.341 15.608 -4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.265 12.143 -5.001 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.282 13.581 -4.856 1.00 0.00 H new ATOM 643 N VAL A 38 15.018 14.328 -5.503 1.00 0.00 N ATOM 644 CA VAL A 38 14.309 13.088 -5.794 1.00 0.00 C ATOM 645 C VAL A 38 13.284 13.289 -6.904 1.00 0.00 C ATOM 646 O VAL A 38 12.896 12.339 -7.584 1.00 0.00 O ATOM 647 CB VAL A 38 13.594 12.544 -4.543 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.594 11.905 -3.591 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.818 13.653 -3.848 1.00 0.00 C ATOM 0 H VAL A 38 14.962 14.628 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 38 15.056 12.365 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 38 12.886 11.777 -4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.070 11.527 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.101 11.081 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.329 12.649 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.319 13.251 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.505 14.444 -3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.073 14.060 -4.532 1.00 0.00 H new ATOM 659 N ALA A 39 12.850 14.532 -7.084 1.00 0.00 N ATOM 660 CA ALA A 39 11.872 14.858 -8.114 1.00 0.00 C ATOM 661 C ALA A 39 12.353 14.411 -9.490 1.00 0.00 C ATOM 662 O ALA A 39 11.550 14.076 -10.361 1.00 0.00 O ATOM 663 CB ALA A 39 11.584 16.352 -8.114 1.00 0.00 C ATOM 0 H ALA A 39 13.161 15.330 -6.530 1.00 0.00 H new ATOM 0 HA ALA A 39 10.951 14.321 -7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.852 16.581 -8.888 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.188 16.646 -7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.505 16.900 -8.312 1.00 0.00 H new ATOM 669 N ASP A 40 13.668 14.407 -9.679 1.00 0.00 N ATOM 670 CA ASP A 40 14.257 14.000 -10.949 1.00 0.00 C ATOM 671 C ASP A 40 14.430 12.485 -11.007 1.00 0.00 C ATOM 672 O ASP A 40 14.634 11.916 -12.079 1.00 0.00 O ATOM 673 CB ASP A 40 15.607 14.688 -11.154 1.00 0.00 C ATOM 674 CG ASP A 40 16.020 14.732 -12.612 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.135 14.918 -13.474 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.228 14.581 -12.891 1.00 0.00 O ATOM 0 H ASP A 40 14.346 14.681 -8.968 1.00 0.00 H new ATOM 0 HA ASP A 40 13.580 14.301 -11.748 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.556 15.704 -10.763 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.370 14.163 -10.579 1.00 0.00 H new ATOM 681 N GLN A 41 14.349 11.841 -9.848 1.00 0.00 N ATOM 682 CA GLN A 41 14.499 10.393 -9.768 1.00 0.00 C ATOM 683 C GLN A 41 13.232 9.687 -10.241 1.00 0.00 C ATOM 684 O GLN A 41 13.285 8.802 -11.095 1.00 0.00 O ATOM 685 CB GLN A 41 14.826 9.971 -8.334 1.00 0.00 C ATOM 686 CG GLN A 41 16.155 10.509 -7.830 1.00 0.00 C ATOM 687 CD GLN A 41 17.336 9.982 -8.622 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.858 10.661 -9.507 1.00 0.00 O ATOM 689 NE2 GLN A 41 17.765 8.766 -8.306 1.00 0.00 N ATOM 0 H GLN A 41 14.180 12.298 -8.952 1.00 0.00 H new ATOM 0 HA GLN A 41 15.321 10.102 -10.422 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.030 10.314 -7.673 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.840 8.882 -8.278 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.145 11.598 -7.881 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.277 10.240 -6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.303 8.238 -7.566 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.557 8.359 -8.804 1.00 0.00 H new ATOM 698 N ILE A 42 12.095 10.085 -9.681 1.00 0.00 N ATOM 699 CA ILE A 42 10.815 9.491 -10.047 1.00 0.00 C ATOM 700 C ILE A 42 10.143 10.280 -11.166 1.00 0.00 C ATOM 701 O ILE A 42 9.114 9.865 -11.700 1.00 0.00 O ATOM 702 CB ILE A 42 9.861 9.421 -8.839 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.223 10.789 -8.585 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.606 8.941 -7.603 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.137 10.763 -7.533 1.00 0.00 C ATOM 0 H ILE A 42 12.034 10.816 -8.972 1.00 0.00 H new ATOM 0 HA ILE A 42 11.024 8.479 -10.394 1.00 0.00 H new ATOM 0 HB ILE A 42 9.068 8.707 -9.062 1.00 0.00 H new ATOM 0 HG12 ILE A 42 9.998 11.491 -8.278 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.804 11.165 -9.519 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.919 8.897 -6.758 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.017 7.949 -7.789 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.417 9.633 -7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.730 11.766 -7.405 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.342 10.086 -7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.555 10.418 -6.587 1.00 0.00 H new ATOM 717 N ARG A 43 10.732 11.418 -11.517 1.00 0.00 N ATOM 718 CA ARG A 43 10.191 12.264 -12.574 1.00 0.00 C ATOM 719 C ARG A 43 8.886 12.919 -12.131 1.00 0.00 C ATOM 720 O ARG A 43 7.843 12.736 -12.760 1.00 0.00 O ATOM 721 CB ARG A 43 9.958 11.444 -13.844 1.00 0.00 C ATOM 722 CG ARG A 43 10.152 12.239 -15.125 1.00 0.00 C ATOM 723 CD ARG A 43 9.261 13.471 -15.157 1.00 0.00 C ATOM 724 NE ARG A 43 9.449 14.251 -16.377 1.00 0.00 N ATOM 725 CZ ARG A 43 8.623 15.216 -16.767 1.00 0.00 C ATOM 726 NH1 ARG A 43 7.559 15.518 -16.036 1.00 0.00 N ATOM 727 NH2 ARG A 43 8.861 15.881 -17.890 1.00 0.00 N ATOM 0 H ARG A 43 11.584 11.776 -11.085 1.00 0.00 H new ATOM 0 HA ARG A 43 10.918 13.048 -12.785 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.639 10.593 -13.847 1.00 0.00 H new ATOM 0 HB3 ARG A 43 8.945 11.041 -13.826 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.196 12.541 -15.212 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.930 11.606 -15.984 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.218 13.166 -15.079 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.476 14.096 -14.290 1.00 0.00 H new ATOM 0 HE ARG A 43 10.259 14.044 -16.962 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.373 15.009 -15.172 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.927 16.259 -16.338 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.679 15.652 -18.455 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.226 16.622 -18.188 1.00 0.00 H new ATOM 741 N LEU A 44 8.951 13.681 -11.045 1.00 0.00 N ATOM 742 CA LEU A 44 7.774 14.363 -10.517 1.00 0.00 C ATOM 743 C LEU A 44 8.130 15.762 -10.026 1.00 0.00 C ATOM 744 O LEU A 44 9.297 16.066 -9.783 1.00 0.00 O ATOM 745 CB LEU A 44 7.159 13.551 -9.376 1.00 0.00 C ATOM 746 CG LEU A 44 5.842 14.081 -8.808 1.00 0.00 C ATOM 747 CD1 LEU A 44 4.799 14.206 -9.908 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.339 13.176 -7.693 1.00 0.00 C ATOM 0 H LEU A 44 9.806 13.842 -10.513 1.00 0.00 H new ATOM 0 HA LEU A 44 7.046 14.455 -11.323 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.996 12.533 -9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.885 13.495 -8.565 1.00 0.00 H new ATOM 0 HG LEU A 44 6.021 15.072 -8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.868 14.585 -9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.157 14.895 -10.673 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.623 13.228 -10.355 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.401 13.569 -7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.176 12.172 -8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.079 13.138 -6.894 1.00 0.00 H new ATOM 760 N GLN A 45 7.115 16.608 -9.881 1.00 0.00 N ATOM 761 CA GLN A 45 7.322 17.975 -9.418 1.00 0.00 C ATOM 762 C GLN A 45 8.127 17.995 -8.123 1.00 0.00 C ATOM 763 O GLN A 45 8.071 17.054 -7.332 1.00 0.00 O ATOM 764 CB GLN A 45 5.977 18.674 -9.207 1.00 0.00 C ATOM 765 CG GLN A 45 5.680 19.747 -10.242 1.00 0.00 C ATOM 766 CD GLN A 45 4.198 20.039 -10.370 1.00 0.00 C ATOM 767 OE1 GLN A 45 3.370 19.416 -9.705 1.00 0.00 O ATOM 768 NE2 GLN A 45 3.855 20.992 -11.229 1.00 0.00 N ATOM 0 H GLN A 45 6.142 16.371 -10.077 1.00 0.00 H new ATOM 0 HA GLN A 45 7.885 18.509 -10.183 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.182 17.929 -9.230 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.963 19.124 -8.215 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.205 20.663 -9.971 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.069 19.431 -11.210 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.574 21.483 -11.760 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.872 21.233 -11.358 1.00 0.00 H new ATOM 777 N GLU A 46 8.875 19.074 -7.913 1.00 0.00 N ATOM 778 CA GLU A 46 9.693 19.215 -6.714 1.00 0.00 C ATOM 779 C GLU A 46 8.818 19.425 -5.481 1.00 0.00 C ATOM 780 O GLU A 46 9.079 18.862 -4.418 1.00 0.00 O ATOM 781 CB GLU A 46 10.666 20.385 -6.868 1.00 0.00 C ATOM 782 CG GLU A 46 9.981 21.717 -7.121 1.00 0.00 C ATOM 783 CD GLU A 46 10.852 22.681 -7.904 1.00 0.00 C ATOM 784 OE1 GLU A 46 11.958 23.004 -7.423 1.00 0.00 O ATOM 785 OE2 GLU A 46 10.427 23.113 -8.996 1.00 0.00 O ATOM 0 H GLU A 46 8.931 19.863 -8.557 1.00 0.00 H new ATOM 0 HA GLU A 46 10.262 18.295 -6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.272 20.463 -5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.347 20.174 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.053 21.546 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.711 22.170 -6.167 1.00 0.00 H new ATOM 792 N SER A 47 7.780 20.241 -5.632 1.00 0.00 N ATOM 793 CA SER A 47 6.869 20.530 -4.530 1.00 0.00 C ATOM 794 C SER A 47 5.804 19.444 -4.407 1.00 0.00 C ATOM 795 O SER A 47 5.197 19.273 -3.350 1.00 0.00 O ATOM 796 CB SER A 47 6.203 21.892 -4.735 1.00 0.00 C ATOM 797 OG SER A 47 5.286 22.174 -3.693 1.00 0.00 O ATOM 0 H SER A 47 7.549 20.714 -6.506 1.00 0.00 H new ATOM 0 HA SER A 47 7.449 20.552 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.965 22.671 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.684 21.906 -5.694 1.00 0.00 H new ATOM 0 HG SER A 47 4.875 23.050 -3.847 1.00 0.00 H new ATOM 803 N ARG A 48 5.584 18.714 -5.495 1.00 0.00 N ATOM 804 CA ARG A 48 4.592 17.646 -5.510 1.00 0.00 C ATOM 805 C ARG A 48 5.141 16.385 -4.849 1.00 0.00 C ATOM 806 O ARG A 48 4.469 15.759 -4.029 1.00 0.00 O ATOM 807 CB ARG A 48 4.165 17.337 -6.946 1.00 0.00 C ATOM 808 CG ARG A 48 3.067 16.291 -7.044 1.00 0.00 C ATOM 809 CD ARG A 48 1.728 16.845 -6.581 1.00 0.00 C ATOM 810 NE ARG A 48 1.072 17.632 -7.622 1.00 0.00 N ATOM 811 CZ ARG A 48 0.134 18.539 -7.376 1.00 0.00 C ATOM 812 NH1 ARG A 48 -0.257 18.773 -6.131 1.00 0.00 N ATOM 813 NH2 ARG A 48 -0.416 19.215 -8.377 1.00 0.00 N ATOM 0 H ARG A 48 6.079 18.842 -6.377 1.00 0.00 H new ATOM 0 HA ARG A 48 3.723 17.984 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.822 18.257 -7.420 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.033 16.993 -7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.983 15.946 -8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.333 15.425 -6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.078 16.022 -6.285 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.878 17.466 -5.698 1.00 0.00 H new ATOM 0 HE ARG A 48 1.350 17.476 -8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.163 18.256 -5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.978 19.470 -5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.118 19.038 -9.336 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.137 19.912 -8.187 1.00 0.00 H new ATOM 827 N ILE A 49 6.365 16.018 -5.212 1.00 0.00 N ATOM 828 CA ILE A 49 7.004 14.833 -4.654 1.00 0.00 C ATOM 829 C ILE A 49 6.953 14.846 -3.130 1.00 0.00 C ATOM 830 O ILE A 49 7.007 13.797 -2.489 1.00 0.00 O ATOM 831 CB ILE A 49 8.472 14.719 -5.106 1.00 0.00 C ATOM 832 CG1 ILE A 49 8.868 13.249 -5.261 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.388 15.418 -4.113 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.268 13.054 -5.802 1.00 0.00 C ATOM 0 H ILE A 49 6.934 16.524 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 49 6.450 13.972 -5.026 1.00 0.00 H new ATOM 0 HB ILE A 49 8.578 15.208 -6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.790 12.756 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.158 12.758 -5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.422 15.329 -4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.118 16.472 -4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.282 14.955 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.481 11.988 -5.886 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.346 13.518 -6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.987 13.515 -5.125 1.00 0.00 H new ATOM 846 N GLN A 50 6.846 16.041 -2.558 1.00 0.00 N ATOM 847 CA GLN A 50 6.786 16.191 -1.109 1.00 0.00 C ATOM 848 C GLN A 50 5.643 15.368 -0.523 1.00 0.00 C ATOM 849 O GLN A 50 5.792 14.734 0.521 1.00 0.00 O ATOM 850 CB GLN A 50 6.615 17.664 -0.734 1.00 0.00 C ATOM 851 CG GLN A 50 7.690 18.181 0.209 1.00 0.00 C ATOM 852 CD GLN A 50 7.582 19.673 0.455 1.00 0.00 C ATOM 853 OE1 GLN A 50 7.445 20.460 -0.482 1.00 0.00 O ATOM 854 NE2 GLN A 50 7.643 20.070 1.720 1.00 0.00 N ATOM 0 H GLN A 50 6.799 16.919 -3.076 1.00 0.00 H new ATOM 0 HA GLN A 50 7.724 15.824 -0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.622 18.265 -1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.639 17.801 -0.269 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.618 17.654 1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.672 17.955 -0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.757 19.383 2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.576 21.062 1.947 1.00 0.00 H new ATOM 863 N VAL A 51 4.501 15.384 -1.203 1.00 0.00 N ATOM 864 CA VAL A 51 3.332 14.639 -0.751 1.00 0.00 C ATOM 865 C VAL A 51 3.598 13.138 -0.764 1.00 0.00 C ATOM 866 O VAL A 51 3.074 12.397 0.068 1.00 0.00 O ATOM 867 CB VAL A 51 2.101 14.939 -1.628 1.00 0.00 C ATOM 868 CG1 VAL A 51 1.957 16.436 -1.852 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.200 14.200 -2.954 1.00 0.00 C ATOM 0 H VAL A 51 4.361 15.905 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 51 3.128 14.960 0.270 1.00 0.00 H new ATOM 0 HB VAL A 51 1.210 14.587 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.082 16.628 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.837 16.938 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.848 16.816 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.323 14.423 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.098 14.520 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.250 13.127 -2.770 1.00 0.00 H new ATOM 879 N TRP A 52 4.415 12.696 -1.713 1.00 0.00 N ATOM 880 CA TRP A 52 4.751 11.282 -1.834 1.00 0.00 C ATOM 881 C TRP A 52 5.891 10.911 -0.891 1.00 0.00 C ATOM 882 O TRP A 52 6.101 9.736 -0.588 1.00 0.00 O ATOM 883 CB TRP A 52 5.137 10.950 -3.276 1.00 0.00 C ATOM 884 CG TRP A 52 3.966 10.579 -4.134 1.00 0.00 C ATOM 885 CD1 TRP A 52 3.261 11.407 -4.961 1.00 0.00 C ATOM 886 CD2 TRP A 52 3.363 9.286 -4.248 1.00 0.00 C ATOM 887 NE1 TRP A 52 2.256 10.705 -5.582 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.297 9.402 -5.162 1.00 0.00 C ATOM 889 CE3 TRP A 52 3.620 8.040 -3.669 1.00 0.00 C ATOM 890 CZ2 TRP A 52 1.491 8.320 -5.507 1.00 0.00 C ATOM 891 CZ3 TRP A 52 2.819 6.968 -4.012 1.00 0.00 C ATOM 892 CH2 TRP A 52 1.766 7.113 -4.925 1.00 0.00 C ATOM 0 H TRP A 52 4.857 13.296 -2.410 1.00 0.00 H new ATOM 0 HA TRP A 52 3.872 10.700 -1.558 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.643 11.809 -3.716 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.851 10.127 -3.273 1.00 0.00 H new ATOM 0 HD1 TRP A 52 3.464 12.458 -5.105 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.587 11.092 -6.248 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.431 7.917 -2.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.678 8.430 -6.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.008 6.001 -3.569 1.00 0.00 H new ATOM 0 HH2 TRP A 52 1.159 6.255 -5.174 1.00 0.00 H new ATOM 903 N PHE A 53 6.624 11.919 -0.431 1.00 0.00 N ATOM 904 CA PHE A 53 7.743 11.698 0.477 1.00 0.00 C ATOM 905 C PHE A 53 7.285 10.971 1.738 1.00 0.00 C ATOM 906 O PHE A 53 8.092 10.381 2.457 1.00 0.00 O ATOM 907 CB PHE A 53 8.395 13.031 0.852 1.00 0.00 C ATOM 908 CG PHE A 53 9.551 12.887 1.800 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.593 12.019 1.516 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.597 13.621 2.974 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.658 11.884 2.387 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.659 13.491 3.849 1.00 0.00 C ATOM 913 CZ PHE A 53 11.691 12.622 3.554 1.00 0.00 C ATOM 0 H PHE A 53 6.463 12.897 -0.672 1.00 0.00 H new ATOM 0 HA PHE A 53 8.476 11.074 -0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.740 13.526 -0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.644 13.679 1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.573 11.441 0.604 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.793 14.303 3.208 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.463 11.202 2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.682 14.068 4.762 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.523 12.520 4.235 1.00 0.00 H new ATOM 923 N LYS A 54 5.984 11.018 2.001 1.00 0.00 N ATOM 924 CA LYS A 54 5.415 10.364 3.174 1.00 0.00 C ATOM 925 C LYS A 54 5.065 8.910 2.870 1.00 0.00 C ATOM 926 O LYS A 54 4.868 8.107 3.781 1.00 0.00 O ATOM 927 CB LYS A 54 4.167 11.112 3.645 1.00 0.00 C ATOM 928 CG LYS A 54 4.047 11.205 5.157 1.00 0.00 C ATOM 929 CD LYS A 54 2.647 10.853 5.628 1.00 0.00 C ATOM 930 CE LYS A 54 1.820 12.101 5.899 1.00 0.00 C ATOM 931 NZ LYS A 54 0.511 11.773 6.530 1.00 0.00 N ATOM 0 H LYS A 54 5.302 11.503 1.417 1.00 0.00 H new ATOM 0 HA LYS A 54 6.162 10.381 3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.178 12.119 3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.283 10.612 3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.768 10.533 5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.298 12.215 5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.151 10.243 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.708 10.251 6.535 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.379 12.773 6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.649 12.634 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.023 12.650 6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.034 11.153 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.674 11.287 7.435 1.00 0.00 H new ATOM 945 N ASN A 55 4.991 8.580 1.585 1.00 0.00 N ATOM 946 CA ASN A 55 4.666 7.223 1.162 1.00 0.00 C ATOM 947 C ASN A 55 5.348 6.195 2.060 1.00 0.00 C ATOM 948 O ASN A 55 4.694 5.513 2.849 1.00 0.00 O ATOM 949 CB ASN A 55 5.087 7.005 -0.293 1.00 0.00 C ATOM 950 CG ASN A 55 5.137 5.536 -0.666 1.00 0.00 C ATOM 951 OD1 ASN A 55 6.080 5.080 -1.312 1.00 0.00 O ATOM 952 ND2 ASN A 55 4.118 4.788 -0.260 1.00 0.00 N ATOM 0 H ASN A 55 5.152 9.234 0.819 1.00 0.00 H new ATOM 0 HA ASN A 55 3.587 7.092 1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.388 7.521 -0.952 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.068 7.452 -0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.096 3.793 -0.482 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.357 5.209 0.274 1.00 0.00 H new ATOM 959 N ARG A 56 6.667 6.091 1.934 1.00 0.00 N ATOM 960 CA ARG A 56 7.438 5.146 2.733 1.00 0.00 C ATOM 961 C ARG A 56 7.819 5.756 4.079 1.00 0.00 C ATOM 962 O ARG A 56 7.783 5.083 5.110 1.00 0.00 O ATOM 963 CB ARG A 56 8.700 4.719 1.981 1.00 0.00 C ATOM 964 CG ARG A 56 9.193 3.332 2.357 1.00 0.00 C ATOM 965 CD ARG A 56 10.624 3.370 2.873 1.00 0.00 C ATOM 966 NE ARG A 56 10.716 4.007 4.184 1.00 0.00 N ATOM 967 CZ ARG A 56 10.462 3.378 5.326 1.00 0.00 C ATOM 968 NH1 ARG A 56 10.102 2.102 5.318 1.00 0.00 N ATOM 969 NH2 ARG A 56 10.568 4.025 6.479 1.00 0.00 N ATOM 0 H ARG A 56 7.224 6.649 1.287 1.00 0.00 H new ATOM 0 HA ARG A 56 6.816 4.269 2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.501 4.747 0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.492 5.442 2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.541 2.907 3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.136 2.676 1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.014 2.354 2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.251 3.909 2.163 1.00 0.00 H new ATOM 0 HE ARG A 56 10.990 4.989 4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.020 1.601 4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.908 1.621 6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.845 5.007 6.489 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.373 3.541 7.355 1.00 0.00 H new ATOM 983 N ARG A 57 8.183 7.034 4.062 1.00 0.00 N ATOM 984 CA ARG A 57 8.572 7.734 5.280 1.00 0.00 C ATOM 985 C ARG A 57 7.543 7.516 6.385 1.00 0.00 C ATOM 986 O ARG A 57 7.879 7.510 7.569 1.00 0.00 O ATOM 987 CB ARG A 57 8.731 9.231 5.005 1.00 0.00 C ATOM 988 CG ARG A 57 8.994 10.055 6.255 1.00 0.00 C ATOM 989 CD ARG A 57 8.991 11.545 5.950 1.00 0.00 C ATOM 990 NE ARG A 57 7.816 12.214 6.502 1.00 0.00 N ATOM 991 CZ ARG A 57 7.701 12.565 7.778 1.00 0.00 C ATOM 992 NH1 ARG A 57 8.686 12.313 8.629 1.00 0.00 N ATOM 993 NH2 ARG A 57 6.600 13.171 8.204 1.00 0.00 N ATOM 0 H ARG A 57 8.217 7.606 3.218 1.00 0.00 H new ATOM 0 HA ARG A 57 9.528 7.329 5.612 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.552 9.378 4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.828 9.601 4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.234 9.834 7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.956 9.772 6.683 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.893 12.001 6.359 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.020 11.694 4.871 1.00 0.00 H new ATOM 0 HE ARG A 57 7.041 12.423 5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.534 11.849 8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.596 12.583 9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.841 13.368 7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.513 13.440 9.184 1.00 0.00 H new ATOM 1007 N ALA A 58 6.287 7.336 5.989 1.00 0.00 N ATOM 1008 CA ALA A 58 5.209 7.116 6.945 1.00 0.00 C ATOM 1009 C ALA A 58 5.052 5.633 7.263 1.00 0.00 C ATOM 1010 O ALA A 58 4.688 5.261 8.379 1.00 0.00 O ATOM 1011 CB ALA A 58 3.903 7.683 6.408 1.00 0.00 C ATOM 0 H ALA A 58 5.991 7.338 5.013 1.00 0.00 H new ATOM 0 HA ALA A 58 5.465 7.634 7.869 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.107 7.512 7.132 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.014 8.754 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.651 7.190 5.469 1.00 0.00 H new ATOM 1017 N LYS A 59 5.328 4.788 6.276 1.00 0.00 N ATOM 1018 CA LYS A 59 5.219 3.344 6.450 1.00 0.00 C ATOM 1019 C LYS A 59 6.118 2.863 7.584 1.00 0.00 C ATOM 1020 O LYS A 59 5.905 1.788 8.145 1.00 0.00 O ATOM 1021 CB LYS A 59 5.589 2.624 5.151 1.00 0.00 C ATOM 1022 CG LYS A 59 4.397 2.014 4.434 1.00 0.00 C ATOM 1023 CD LYS A 59 3.296 3.037 4.213 1.00 0.00 C ATOM 1024 CE LYS A 59 2.657 2.881 2.841 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.507 1.935 2.869 1.00 0.00 N ATOM 0 H LYS A 59 5.629 5.078 5.346 1.00 0.00 H new ATOM 0 HA LYS A 59 4.185 3.111 6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.083 3.329 4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.310 1.838 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.717 1.609 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.008 1.180 5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.534 2.926 4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.706 4.042 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.318 3.854 2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.403 2.524 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.099 1.856 1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.835 1.000 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.783 2.288 3.527 1.00 0.00 H new ATOM 1039 N TYR A 60 7.121 3.667 7.919 1.00 0.00 N ATOM 1040 CA TYR A 60 8.053 3.322 8.986 1.00 0.00 C ATOM 1041 C TYR A 60 7.305 2.948 10.262 1.00 0.00 C ATOM 1042 O TYR A 60 7.798 2.168 11.078 1.00 0.00 O ATOM 1043 CB TYR A 60 9.001 4.491 9.261 1.00 0.00 C ATOM 1044 CG TYR A 60 8.497 5.442 10.323 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.384 6.243 10.094 1.00 0.00 C ATOM 1046 CD2 TYR A 60 9.133 5.541 11.554 1.00 0.00 C ATOM 1047 CE1 TYR A 60 6.920 7.114 11.060 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.675 6.409 12.527 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.569 7.193 12.275 1.00 0.00 C ATOM 1050 OH TYR A 60 7.110 8.059 13.241 1.00 0.00 O ATOM 0 H TYR A 60 7.309 4.562 7.467 1.00 0.00 H new ATOM 0 HA TYR A 60 8.635 2.459 8.661 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.970 4.098 9.568 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.160 5.044 8.335 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.873 6.183 9.144 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.000 4.929 11.754 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.054 7.730 10.866 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.180 6.473 13.479 1.00 0.00 H new ATOM 0 HH TYR A 60 7.678 7.992 14.037 1.00 0.00 H new ATOM 1060 N ARG A 61 6.112 3.509 10.427 1.00 0.00 N ATOM 1061 CA ARG A 61 5.295 3.236 11.603 1.00 0.00 C ATOM 1062 C ARG A 61 4.641 1.861 11.503 1.00 0.00 C ATOM 1063 O ARG A 61 4.491 1.158 12.503 1.00 0.00 O ATOM 1064 CB ARG A 61 4.221 4.313 11.766 1.00 0.00 C ATOM 1065 CG ARG A 61 3.151 4.274 10.686 1.00 0.00 C ATOM 1066 CD ARG A 61 2.630 5.667 10.369 1.00 0.00 C ATOM 1067 NE ARG A 61 1.812 6.206 11.452 1.00 0.00 N ATOM 1068 CZ ARG A 61 0.573 5.801 11.708 1.00 0.00 C ATOM 1069 NH1 ARG A 61 0.013 4.858 10.964 1.00 0.00 N ATOM 1070 NH2 ARG A 61 -0.108 6.339 12.712 1.00 0.00 N ATOM 0 H ARG A 61 5.689 4.156 9.761 1.00 0.00 H new ATOM 0 HA ARG A 61 5.946 3.247 12.477 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.746 4.197 12.740 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.697 5.293 11.759 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.561 3.823 9.782 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.326 3.641 11.012 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.471 6.335 10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.041 5.634 9.452 1.00 0.00 H new ATOM 0 HE ARG A 61 2.214 6.933 12.044 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.534 4.441 10.192 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.939 4.549 11.163 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.320 7.064 13.288 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.059 6.027 12.908 1.00 0.00 H new ATOM 1084 N LEU A 62 4.252 1.484 10.290 1.00 0.00 N ATOM 1085 CA LEU A 62 3.613 0.193 10.058 1.00 0.00 C ATOM 1086 C LEU A 62 4.566 -0.953 10.384 1.00 0.00 C ATOM 1087 O LEU A 62 4.235 -1.844 11.166 1.00 0.00 O ATOM 1088 CB LEU A 62 3.146 0.086 8.606 1.00 0.00 C ATOM 1089 CG LEU A 62 2.216 -1.084 8.284 1.00 0.00 C ATOM 1090 CD1 LEU A 62 2.998 -2.388 8.227 1.00 0.00 C ATOM 1091 CD2 LEU A 62 1.098 -1.175 9.312 1.00 0.00 C ATOM 0 H LEU A 62 4.368 2.054 9.452 1.00 0.00 H new ATOM 0 HA LEU A 62 2.748 0.120 10.717 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.637 1.012 8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.026 0.011 7.967 1.00 0.00 H new ATOM 0 HG LEU A 62 1.769 -0.909 7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.319 -3.209 7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.762 -2.320 7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.473 -2.570 9.191 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.446 -2.013 9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.526 -1.326 10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.520 -0.251 9.304 1.00 0.00 H new ATOM 1103 N GLN A 63 5.749 -0.921 9.780 1.00 0.00 N ATOM 1104 CA GLN A 63 6.750 -1.956 10.007 1.00 0.00 C ATOM 1105 C GLN A 63 7.227 -1.944 11.456 1.00 0.00 C ATOM 1106 O GLN A 63 7.759 -2.936 11.952 1.00 0.00 O ATOM 1107 CB GLN A 63 7.939 -1.761 9.065 1.00 0.00 C ATOM 1108 CG GLN A 63 8.617 -0.409 9.212 1.00 0.00 C ATOM 1109 CD GLN A 63 10.127 -0.499 9.115 1.00 0.00 C ATOM 1110 OE1 GLN A 63 10.845 -0.084 10.025 1.00 0.00 O ATOM 1111 NE2 GLN A 63 10.618 -1.043 8.008 1.00 0.00 N ATOM 0 H GLN A 63 6.038 -0.190 9.130 1.00 0.00 H new ATOM 0 HA GLN A 63 6.289 -2.922 9.803 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.671 -2.547 9.250 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.599 -1.878 8.036 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.247 0.265 8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.344 0.027 10.173 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.986 -1.374 7.279 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.627 -1.130 7.887 1.00 0.00 H new ATOM 1120 N GLU A 64 7.033 -0.814 12.128 1.00 0.00 N ATOM 1121 CA GLU A 64 7.445 -0.673 13.520 1.00 0.00 C ATOM 1122 C GLU A 64 6.873 -1.801 14.373 1.00 0.00 C ATOM 1123 O GLU A 64 7.601 -2.473 15.105 1.00 0.00 O ATOM 1124 CB GLU A 64 6.993 0.680 14.074 1.00 0.00 C ATOM 1125 CG GLU A 64 7.894 1.219 15.173 1.00 0.00 C ATOM 1126 CD GLU A 64 7.823 2.728 15.297 1.00 0.00 C ATOM 1127 OE1 GLU A 64 6.844 3.229 15.890 1.00 0.00 O ATOM 1128 OE2 GLU A 64 8.746 3.409 14.802 1.00 0.00 O ATOM 0 H GLU A 64 6.593 0.017 11.732 1.00 0.00 H new ATOM 0 HA GLU A 64 8.533 -0.728 13.558 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.956 1.403 13.259 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.979 0.584 14.462 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.612 0.766 16.124 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.923 0.923 14.972 1.00 0.00 H new ATOM 1135 N LYS A 65 5.563 -2.004 14.275 1.00 0.00 N ATOM 1136 CA LYS A 65 4.891 -3.050 15.036 1.00 0.00 C ATOM 1137 C LYS A 65 5.287 -4.433 14.527 1.00 0.00 C ATOM 1138 O LYS A 65 5.280 -5.406 15.281 1.00 0.00 O ATOM 1139 CB LYS A 65 3.373 -2.879 14.947 1.00 0.00 C ATOM 1140 CG LYS A 65 2.791 -3.291 13.606 1.00 0.00 C ATOM 1141 CD LYS A 65 2.227 -4.701 13.653 1.00 0.00 C ATOM 1142 CE LYS A 65 0.889 -4.743 14.375 1.00 0.00 C ATOM 1143 NZ LYS A 65 -0.256 -4.648 13.428 1.00 0.00 N ATOM 0 H LYS A 65 4.946 -1.457 13.675 1.00 0.00 H new ATOM 0 HA LYS A 65 5.200 -2.962 16.077 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.903 -3.469 15.734 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.122 -1.836 15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.004 -2.593 13.320 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.564 -3.233 12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.106 -5.079 12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.934 -5.360 14.157 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.813 -5.669 14.945 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.837 -3.923 15.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.149 -4.680 13.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.198 -3.753 12.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.221 -5.445 12.760 1.00 0.00 H new ATOM 1157 N GLN A 66 5.634 -4.510 13.247 1.00 0.00 N ATOM 1158 CA GLN A 66 6.034 -5.774 12.639 1.00 0.00 C ATOM 1159 C GLN A 66 7.270 -6.343 13.330 1.00 0.00 C ATOM 1160 O GLN A 66 7.188 -7.335 14.053 1.00 0.00 O ATOM 1161 CB GLN A 66 6.312 -5.582 11.148 1.00 0.00 C ATOM 1162 CG GLN A 66 5.199 -6.097 10.250 1.00 0.00 C ATOM 1163 CD GLN A 66 3.821 -5.716 10.752 1.00 0.00 C ATOM 1164 OE1 GLN A 66 3.510 -4.535 10.911 1.00 0.00 O ATOM 1165 NE2 GLN A 66 2.985 -6.717 11.006 1.00 0.00 N ATOM 0 H GLN A 66 5.646 -3.713 12.611 1.00 0.00 H new ATOM 0 HA GLN A 66 5.214 -6.482 12.760 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.466 -4.521 10.949 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.240 -6.093 10.891 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.337 -5.702 9.244 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.268 -7.182 10.178 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.284 -7.681 10.860 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.044 -6.521 11.347 1.00 0.00 H new ATOM 1174 N LYS A 67 8.414 -5.707 13.101 1.00 0.00 N ATOM 1175 CA LYS A 67 9.668 -6.148 13.701 1.00 0.00 C ATOM 1176 C LYS A 67 9.715 -5.795 15.184 1.00 0.00 C ATOM 1177 O LYS A 67 8.982 -4.930 15.665 1.00 0.00 O ATOM 1178 CB LYS A 67 10.856 -5.512 12.976 1.00 0.00 C ATOM 1179 CG LYS A 67 11.353 -6.325 11.794 1.00 0.00 C ATOM 1180 CD LYS A 67 12.231 -5.493 10.874 1.00 0.00 C ATOM 1181 CE LYS A 67 13.648 -5.373 11.415 1.00 0.00 C ATOM 1182 NZ LYS A 67 14.317 -6.700 11.516 1.00 0.00 N ATOM 0 H LYS A 67 8.499 -4.884 12.504 1.00 0.00 H new ATOM 0 HA LYS A 67 9.728 -7.232 13.602 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.570 -4.519 12.629 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.674 -5.379 13.684 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.916 -7.186 12.155 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.502 -6.712 11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.256 -5.947 9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.799 -4.499 10.758 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.231 -4.721 10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.623 -4.903 12.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.349 -6.572 11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.050 -7.156 12.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.020 -7.300 10.720 1.00 0.00 H new ATOM 1196 N PRO A 68 10.599 -6.476 15.929 1.00 0.00 N ATOM 1197 CA PRO A 68 10.764 -6.249 17.367 1.00 0.00 C ATOM 1198 C PRO A 68 11.402 -4.898 17.672 1.00 0.00 C ATOM 1199 O PRO A 68 11.658 -4.569 18.830 1.00 0.00 O ATOM 1200 CB PRO A 68 11.690 -7.388 17.802 1.00 0.00 C ATOM 1201 CG PRO A 68 12.447 -7.752 16.571 1.00 0.00 C ATOM 1202 CD PRO A 68 11.505 -7.521 15.422 1.00 0.00 C ATOM 0 HA PRO A 68 9.807 -6.235 17.889 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.361 -7.070 18.600 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.122 -8.237 18.183 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.344 -7.141 16.469 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.772 -8.792 16.606 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.035 -7.194 14.527 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.963 -8.429 15.158 1.00 0.00 H new TER 1210 PRO A 68