USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 699 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 8 GLN : amide:sc= 0.145 K(o=-3.3,f=-5.8) USER MOD Set 1.2: A 13 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 59 GLN : amide:sc= -0.621 K(o=-3.3,f=-2.1) USER MOD Set 1.4: A 60 GLN : amide:sc= -0.217 K(o=-3.3,f=-1.8) USER MOD Set 1.5: A 64 GLN : amide:sc= -2.63! K(o=-3.3!,f=-1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.32 (180deg=-0.981) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.12) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.646 X(o=-0.65,f=-0.18) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 39 SER OG : rot 180:sc= 0.126 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= -0.032 (180deg=-0.303) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.598 K(o=-0.6,f=-0.029) USER MOD Single : A 57 SER OG : rot 170:sc= -2.04! USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0168 USER MOD Single : A 63 HIS : no HD1:sc=-0.00231 X(o=-0.0023,f=-0.0051) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -102:sc= 0.883 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 112:sc= -2.56! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0207 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 85 HIS : no HD1:sc= -0.0367 K(o=-0.037,f=-2.2!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HE2:sc= 0.76 K(o=0.76,f=-3.1!) USER MOD Single : A 88 HIS : no HD1:sc= -0.325 X(o=-0.33,f=-0.16) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.519 -14.817 -8.001 1.00 0.00 N ATOM 2 CA MET A 1 10.839 -15.803 -9.067 1.00 0.00 C ATOM 3 C MET A 1 12.316 -16.190 -9.036 1.00 0.00 C ATOM 4 O MET A 1 13.129 -15.643 -9.782 1.00 0.00 O ATOM 5 CB MET A 1 10.479 -15.191 -10.424 1.00 0.00 C ATOM 6 CG MET A 1 10.887 -13.733 -10.561 1.00 0.00 C ATOM 7 SD MET A 1 10.217 -12.961 -12.046 1.00 0.00 S ATOM 8 CE MET A 1 11.509 -13.329 -13.230 1.00 0.00 C ATOM 0 H1 MET A 1 9.587 -14.395 -8.187 1.00 0.00 H new ATOM 0 H2 MET A 1 10.505 -15.296 -7.078 1.00 0.00 H new ATOM 0 H3 MET A 1 11.241 -14.069 -7.992 1.00 0.00 H new ATOM 0 HA MET A 1 10.259 -16.711 -8.900 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.959 -15.770 -11.213 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.403 -15.275 -10.577 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.548 -13.181 -9.685 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.975 -13.664 -10.580 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.240 -12.915 -14.202 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.447 -12.887 -12.894 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.627 -14.409 -13.316 1.00 0.00 H new ATOM 20 N ARG A 2 12.655 -17.138 -8.168 1.00 0.00 N ATOM 21 CA ARG A 2 14.032 -17.601 -8.038 1.00 0.00 C ATOM 22 C ARG A 2 14.080 -19.114 -7.853 1.00 0.00 C ATOM 23 O ARG A 2 14.742 -19.621 -6.946 1.00 0.00 O ATOM 24 CB ARG A 2 14.714 -16.907 -6.858 1.00 0.00 C ATOM 25 CG ARG A 2 16.211 -16.720 -7.046 1.00 0.00 C ATOM 26 CD ARG A 2 16.764 -15.669 -6.095 1.00 0.00 C ATOM 27 NE ARG A 2 17.587 -16.263 -5.044 1.00 0.00 N ATOM 28 CZ ARG A 2 18.910 -16.372 -5.117 1.00 0.00 C ATOM 29 NH1 ARG A 2 19.561 -15.930 -6.185 1.00 0.00 N ATOM 30 NH2 ARG A 2 19.585 -16.926 -4.119 1.00 0.00 N ATOM 0 H ARG A 2 11.994 -17.601 -7.544 1.00 0.00 H new ATOM 0 HA ARG A 2 14.565 -17.349 -8.955 1.00 0.00 H new ATOM 0 HB2 ARG A 2 14.251 -15.932 -6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 2 14.540 -17.490 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 2 16.721 -17.669 -6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 2 16.416 -16.425 -8.075 1.00 0.00 H new ATOM 0 HD2 ARG A 2 17.358 -14.948 -6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 2 15.939 -15.119 -5.642 1.00 0.00 H new ATOM 0 HE ARG A 2 17.120 -16.614 -4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 2 19.046 -15.504 -6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 2 20.576 -16.016 -6.235 1.00 0.00 H new ATOM 0 HH21 ARG A 2 19.089 -17.268 -3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 2 20.600 -17.010 -4.174 1.00 0.00 H new ATOM 44 N GLY A 3 13.372 -19.831 -8.721 1.00 0.00 N ATOM 45 CA GLY A 3 13.344 -21.278 -8.641 1.00 0.00 C ATOM 46 C GLY A 3 12.139 -21.794 -7.880 1.00 0.00 C ATOM 47 O GLY A 3 11.326 -21.012 -7.385 1.00 0.00 O ATOM 0 H GLY A 3 12.817 -19.434 -9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 3 13.339 -21.694 -9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 3 14.254 -21.630 -8.155 1.00 0.00 H new ATOM 51 N SER A 4 12.026 -23.115 -7.785 1.00 0.00 N ATOM 52 CA SER A 4 10.914 -23.743 -7.080 1.00 0.00 C ATOM 53 C SER A 4 11.397 -24.427 -5.806 1.00 0.00 C ATOM 54 O SER A 4 11.903 -25.548 -5.846 1.00 0.00 O ATOM 55 CB SER A 4 10.219 -24.759 -7.988 1.00 0.00 C ATOM 56 OG SER A 4 8.883 -24.986 -7.572 1.00 0.00 O ATOM 0 H SER A 4 12.693 -23.773 -8.189 1.00 0.00 H new ATOM 0 HA SER A 4 10.202 -22.965 -6.805 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.226 -24.397 -9.016 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.771 -25.699 -7.977 1.00 0.00 H new ATOM 0 HG SER A 4 8.461 -25.638 -8.170 1.00 0.00 H new ATOM 62 N ASN A 5 11.239 -23.745 -4.676 1.00 0.00 N ATOM 63 CA ASN A 5 11.662 -24.288 -3.391 1.00 0.00 C ATOM 64 C ASN A 5 10.517 -24.272 -2.381 1.00 0.00 C ATOM 65 O ASN A 5 9.837 -25.280 -2.185 1.00 0.00 O ATOM 66 CB ASN A 5 12.853 -23.495 -2.848 1.00 0.00 C ATOM 67 CG ASN A 5 13.609 -24.250 -1.774 1.00 0.00 C ATOM 68 OD1 ASN A 5 14.551 -24.987 -2.061 1.00 0.00 O ATOM 69 ND2 ASN A 5 13.199 -24.066 -0.524 1.00 0.00 N ATOM 0 H ASN A 5 10.821 -22.816 -4.625 1.00 0.00 H new ATOM 0 HA ASN A 5 11.963 -25.324 -3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 5 13.532 -23.258 -3.667 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.500 -22.547 -2.442 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.670 -24.545 0.243 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.413 -23.445 -0.331 1.00 0.00 H new ATOM 76 N ALA A 6 10.310 -23.124 -1.742 1.00 0.00 N ATOM 77 CA ALA A 6 9.248 -22.983 -0.752 1.00 0.00 C ATOM 78 C ALA A 6 8.235 -21.919 -1.174 1.00 0.00 C ATOM 79 O ALA A 6 8.413 -20.735 -0.887 1.00 0.00 O ATOM 80 CB ALA A 6 9.837 -22.645 0.609 1.00 0.00 C ATOM 0 H ALA A 6 10.863 -22.280 -1.892 1.00 0.00 H new ATOM 0 HA ALA A 6 8.723 -23.936 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.033 -22.543 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.511 -23.442 0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.389 -21.707 0.544 1.00 0.00 H new ATOM 86 N PRO A 7 7.156 -22.328 -1.866 1.00 0.00 N ATOM 87 CA PRO A 7 6.112 -21.405 -2.330 1.00 0.00 C ATOM 88 C PRO A 7 5.388 -20.717 -1.177 1.00 0.00 C ATOM 89 O PRO A 7 5.855 -20.731 -0.038 1.00 0.00 O ATOM 90 CB PRO A 7 5.141 -22.306 -3.105 1.00 0.00 C ATOM 91 CG PRO A 7 5.909 -23.548 -3.400 1.00 0.00 C ATOM 92 CD PRO A 7 6.868 -23.717 -2.258 1.00 0.00 C ATOM 0 HA PRO A 7 6.531 -20.597 -2.929 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.251 -22.525 -2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.804 -21.824 -4.023 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.245 -24.408 -3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.441 -23.463 -4.348 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.426 -24.285 -1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.771 -24.247 -2.563 1.00 0.00 H new ATOM 100 N GLN A 8 4.243 -20.113 -1.483 1.00 0.00 N ATOM 101 CA GLN A 8 3.451 -19.416 -0.477 1.00 0.00 C ATOM 102 C GLN A 8 2.108 -20.111 -0.252 1.00 0.00 C ATOM 103 O GLN A 8 1.535 -20.684 -1.179 1.00 0.00 O ATOM 104 CB GLN A 8 3.224 -17.964 -0.902 1.00 0.00 C ATOM 105 CG GLN A 8 2.517 -17.826 -2.240 1.00 0.00 C ATOM 106 CD GLN A 8 2.363 -16.382 -2.672 1.00 0.00 C ATOM 107 OE1 GLN A 8 3.080 -15.500 -2.198 1.00 0.00 O ATOM 108 NE2 GLN A 8 1.424 -16.131 -3.576 1.00 0.00 N ATOM 0 H GLN A 8 3.843 -20.093 -2.421 1.00 0.00 H new ATOM 0 HA GLN A 8 4.004 -19.435 0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.637 -17.457 -0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.186 -17.455 -0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.077 -18.371 -3.000 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.532 -18.289 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.852 -16.892 -3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.274 -15.177 -3.904 1.00 0.00 H new ATOM 117 N PRO A 9 1.588 -20.070 0.990 1.00 0.00 N ATOM 118 CA PRO A 9 0.310 -20.699 1.335 1.00 0.00 C ATOM 119 C PRO A 9 -0.891 -19.843 0.938 1.00 0.00 C ATOM 120 O PRO A 9 -1.668 -19.416 1.793 1.00 0.00 O ATOM 121 CB PRO A 9 0.395 -20.821 2.854 1.00 0.00 C ATOM 122 CG PRO A 9 1.225 -19.658 3.275 1.00 0.00 C ATOM 123 CD PRO A 9 2.207 -19.411 2.158 1.00 0.00 C ATOM 0 HA PRO A 9 0.163 -21.646 0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.594 -20.789 3.311 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.853 -21.764 3.152 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.604 -18.779 3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.745 -19.869 4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.355 -18.345 1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.185 -19.835 2.385 1.00 0.00 H new ATOM 131 N SER A 10 -1.032 -19.592 -0.363 1.00 0.00 N ATOM 132 CA SER A 10 -2.134 -18.782 -0.883 1.00 0.00 C ATOM 133 C SER A 10 -2.037 -17.335 -0.398 1.00 0.00 C ATOM 134 O SER A 10 -2.848 -16.490 -0.779 1.00 0.00 O ATOM 135 CB SER A 10 -3.484 -19.383 -0.476 1.00 0.00 C ATOM 136 OG SER A 10 -3.800 -20.513 -1.270 1.00 0.00 O ATOM 0 H SER A 10 -0.394 -19.939 -1.079 1.00 0.00 H new ATOM 0 HA SER A 10 -2.060 -18.783 -1.970 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.456 -19.670 0.575 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.266 -18.631 -0.580 1.00 0.00 H new ATOM 0 HG SER A 10 -4.665 -20.879 -0.989 1.00 0.00 H new ATOM 142 N HIS A 11 -1.039 -17.058 0.436 1.00 0.00 N ATOM 143 CA HIS A 11 -0.829 -15.715 0.968 1.00 0.00 C ATOM 144 C HIS A 11 0.657 -15.446 1.172 1.00 0.00 C ATOM 145 O HIS A 11 1.485 -16.344 1.032 1.00 0.00 O ATOM 146 CB HIS A 11 -1.573 -15.534 2.294 1.00 0.00 C ATOM 147 CG HIS A 11 -3.064 -15.549 2.156 1.00 0.00 C ATOM 148 ND1 HIS A 11 -3.731 -14.553 1.486 1.00 0.00 N ATOM 149 CD2 HIS A 11 -3.963 -16.451 2.618 1.00 0.00 C ATOM 150 CE1 HIS A 11 -5.012 -14.867 1.552 1.00 0.00 C ATOM 151 NE2 HIS A 11 -5.202 -16.009 2.230 1.00 0.00 N ATOM 0 H HIS A 11 -0.361 -17.748 0.759 1.00 0.00 H new ATOM 0 HA HIS A 11 -1.223 -15.002 0.244 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.273 -16.326 2.980 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.268 -14.590 2.745 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -3.746 -17.346 3.183 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -5.806 -14.279 1.116 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -6.096 -16.462 2.420 1.00 0.00 H new ATOM 159 N ILE A 12 0.987 -14.204 1.507 1.00 0.00 N ATOM 160 CA ILE A 12 2.373 -13.813 1.731 1.00 0.00 C ATOM 161 C ILE A 12 2.691 -13.742 3.219 1.00 0.00 C ATOM 162 O ILE A 12 1.795 -13.569 4.045 1.00 0.00 O ATOM 163 CB ILE A 12 2.673 -12.442 1.097 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.172 -12.143 1.150 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.890 -11.350 1.810 1.00 0.00 C ATOM 166 CD1 ILE A 12 4.792 -11.930 -0.213 1.00 0.00 C ATOM 0 H ILE A 12 0.312 -13.449 1.630 1.00 0.00 H new ATOM 0 HA ILE A 12 2.996 -14.574 1.262 1.00 0.00 H new ATOM 0 HB ILE A 12 2.364 -12.468 0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.336 -11.253 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.682 -12.968 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.111 -10.386 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.823 -11.555 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.175 -11.326 2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.856 -11.723 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.659 -12.827 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.308 -11.086 -0.705 1.00 0.00 H new ATOM 178 N SER A 13 3.972 -13.859 3.554 1.00 0.00 N ATOM 179 CA SER A 13 4.400 -13.785 4.942 1.00 0.00 C ATOM 180 C SER A 13 4.001 -12.438 5.536 1.00 0.00 C ATOM 181 O SER A 13 3.485 -12.371 6.652 1.00 0.00 O ATOM 182 CB SER A 13 5.912 -13.986 5.049 1.00 0.00 C ATOM 183 OG SER A 13 6.228 -14.965 6.023 1.00 0.00 O ATOM 0 H SER A 13 4.727 -14.005 2.884 1.00 0.00 H new ATOM 0 HA SER A 13 3.909 -14.580 5.503 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.311 -14.289 4.081 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.390 -13.042 5.309 1.00 0.00 H new ATOM 0 HG SER A 13 7.200 -15.076 6.071 1.00 0.00 H new ATOM 189 N LYS A 14 4.231 -11.367 4.772 1.00 0.00 N ATOM 190 CA LYS A 14 3.884 -10.020 5.220 1.00 0.00 C ATOM 191 C LYS A 14 4.130 -8.977 4.128 1.00 0.00 C ATOM 192 O LYS A 14 5.088 -9.074 3.363 1.00 0.00 O ATOM 193 CB LYS A 14 4.688 -9.652 6.468 1.00 0.00 C ATOM 194 CG LYS A 14 6.171 -9.967 6.353 1.00 0.00 C ATOM 195 CD LYS A 14 6.561 -11.142 7.235 1.00 0.00 C ATOM 196 CE LYS A 14 8.064 -11.369 7.234 1.00 0.00 C ATOM 197 NZ LYS A 14 8.681 -11.012 8.540 1.00 0.00 N ATOM 0 H LYS A 14 4.654 -11.408 3.845 1.00 0.00 H new ATOM 0 HA LYS A 14 2.820 -10.021 5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.566 -8.587 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.277 -10.186 7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.417 -10.192 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.753 -9.090 6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.221 -10.961 8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.056 -12.043 6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.273 -12.415 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.520 -10.774 6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.706 -11.181 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.504 -10.008 8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.265 -11.597 9.292 1.00 0.00 H new ATOM 211 N TYR A 15 3.261 -7.966 4.084 1.00 0.00 N ATOM 212 CA TYR A 15 3.373 -6.878 3.113 1.00 0.00 C ATOM 213 C TYR A 15 3.879 -5.617 3.805 1.00 0.00 C ATOM 214 O TYR A 15 3.411 -5.276 4.888 1.00 0.00 O ATOM 215 CB TYR A 15 2.009 -6.567 2.484 1.00 0.00 C ATOM 216 CG TYR A 15 1.667 -7.385 1.260 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.407 -7.269 0.092 1.00 0.00 C ATOM 218 CD2 TYR A 15 0.586 -8.260 1.268 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.083 -8.001 -1.034 1.00 0.00 C ATOM 220 CE2 TYR A 15 0.257 -8.998 0.148 1.00 0.00 C ATOM 221 CZ TYR A 15 1.008 -8.865 -1.001 1.00 0.00 C ATOM 222 OH TYR A 15 0.683 -9.596 -2.121 1.00 0.00 O ATOM 0 H TYR A 15 2.465 -7.879 4.716 1.00 0.00 H new ATOM 0 HA TYR A 15 4.069 -7.192 2.336 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.235 -6.725 3.235 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.982 -5.511 2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.250 -6.595 0.063 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.006 -8.364 2.165 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.668 -7.897 -1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.584 -9.676 0.172 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.098 -10.156 -1.931 1.00 0.00 H new ATOM 232 N ILE A 16 4.809 -4.907 3.178 1.00 0.00 N ATOM 233 CA ILE A 16 5.322 -3.677 3.758 1.00 0.00 C ATOM 234 C ILE A 16 4.944 -2.491 2.888 1.00 0.00 C ATOM 235 O ILE A 16 5.192 -2.483 1.682 1.00 0.00 O ATOM 236 CB ILE A 16 6.855 -3.708 3.965 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.175 -4.039 5.425 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.489 -2.374 3.574 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.694 -2.982 6.403 1.00 0.00 C ATOM 0 H ILE A 16 5.218 -5.160 2.278 1.00 0.00 H new ATOM 0 HA ILE A 16 4.865 -3.577 4.743 1.00 0.00 H new ATOM 0 HB ILE A 16 7.274 -4.481 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.719 -4.995 5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.253 -4.161 5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.567 -2.424 3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.283 -2.167 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.070 -1.578 4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.954 -3.281 7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.170 -2.029 6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.612 -2.876 6.321 1.00 0.00 H new ATOM 251 N LEU A 17 4.343 -1.493 3.510 1.00 0.00 N ATOM 252 CA LEU A 17 3.930 -0.300 2.799 1.00 0.00 C ATOM 253 C LEU A 17 4.683 0.910 3.316 1.00 0.00 C ATOM 254 O LEU A 17 4.551 1.285 4.480 1.00 0.00 O ATOM 255 CB LEU A 17 2.431 -0.082 2.949 1.00 0.00 C ATOM 256 CG LEU A 17 1.666 0.000 1.635 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.182 -0.234 1.867 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.898 1.346 0.980 1.00 0.00 C ATOM 0 H LEU A 17 4.130 -1.486 4.508 1.00 0.00 H new ATOM 0 HA LEU A 17 4.161 -0.434 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.017 -0.896 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.266 0.839 3.508 1.00 0.00 H new ATOM 0 HG LEU A 17 2.033 -0.779 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.349 -0.172 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.033 -1.222 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.204 0.524 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.346 1.394 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.553 2.138 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.962 1.476 0.783 1.00 0.00 H new ATOM 270 N ARG A 18 5.473 1.512 2.444 1.00 0.00 N ATOM 271 CA ARG A 18 6.255 2.680 2.814 1.00 0.00 C ATOM 272 C ARG A 18 5.858 3.882 1.973 1.00 0.00 C ATOM 273 O ARG A 18 5.820 3.807 0.746 1.00 0.00 O ATOM 274 CB ARG A 18 7.747 2.386 2.645 1.00 0.00 C ATOM 275 CG ARG A 18 8.028 0.958 2.208 1.00 0.00 C ATOM 276 CD ARG A 18 9.278 0.399 2.864 1.00 0.00 C ATOM 277 NE ARG A 18 10.484 0.711 2.103 1.00 0.00 N ATOM 278 CZ ARG A 18 11.700 0.775 2.639 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.869 0.565 3.937 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.747 1.052 1.875 1.00 0.00 N ATOM 0 H ARG A 18 5.590 1.212 1.476 1.00 0.00 H new ATOM 0 HA ARG A 18 6.055 2.913 3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.166 3.073 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.258 2.578 3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.175 0.328 2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.142 0.926 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.371 0.805 3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.182 -0.682 2.963 1.00 0.00 H new ATOM 0 HE ARG A 18 10.389 0.890 1.103 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.065 0.353 4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.803 0.615 4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.620 1.216 0.876 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.679 1.101 2.286 1.00 0.00 H new ATOM 294 N TRP A 19 5.566 4.994 2.639 1.00 0.00 N ATOM 295 CA TRP A 19 5.181 6.206 1.936 1.00 0.00 C ATOM 296 C TRP A 19 5.546 7.455 2.734 1.00 0.00 C ATOM 297 O TRP A 19 5.454 7.473 3.963 1.00 0.00 O ATOM 298 CB TRP A 19 3.683 6.186 1.587 1.00 0.00 C ATOM 299 CG TRP A 19 2.787 6.712 2.663 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.302 7.982 2.776 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.253 5.975 3.767 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.512 8.086 3.895 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.465 6.866 4.520 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.371 4.650 4.197 1.00 0.00 C ATOM 305 CZ2 TRP A 19 0.795 6.472 5.675 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.704 4.260 5.343 1.00 0.00 C ATOM 307 CH2 TRP A 19 0.926 5.169 6.072 1.00 0.00 C ATOM 0 H TRP A 19 5.589 5.079 3.655 1.00 0.00 H new ATOM 0 HA TRP A 19 5.743 6.241 1.003 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.526 6.773 0.682 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.390 5.162 1.357 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.509 8.787 2.087 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.038 8.932 4.210 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.972 3.944 3.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.193 7.170 6.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.784 3.238 5.682 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.419 4.835 6.965 1.00 0.00 H new ATOM 318 N ARG A 20 5.972 8.491 2.015 1.00 0.00 N ATOM 319 CA ARG A 20 6.365 9.753 2.630 1.00 0.00 C ATOM 320 C ARG A 20 6.045 10.920 1.696 1.00 0.00 C ATOM 321 O ARG A 20 5.983 10.747 0.481 1.00 0.00 O ATOM 322 CB ARG A 20 7.862 9.728 2.981 1.00 0.00 C ATOM 323 CG ARG A 20 8.678 10.859 2.366 1.00 0.00 C ATOM 324 CD ARG A 20 9.239 10.467 1.008 1.00 0.00 C ATOM 325 NE ARG A 20 10.679 10.699 0.921 1.00 0.00 N ATOM 326 CZ ARG A 20 11.231 11.907 0.845 1.00 0.00 C ATOM 327 NH1 ARG A 20 10.468 12.992 0.846 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.549 12.031 0.769 1.00 0.00 N ATOM 0 H ARG A 20 6.054 8.479 0.998 1.00 0.00 H new ATOM 0 HA ARG A 20 5.799 9.889 3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.968 9.769 4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.282 8.776 2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.052 11.745 2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.496 11.125 3.036 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.030 9.414 0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.733 11.037 0.229 1.00 0.00 H new ATOM 0 HE ARG A 20 11.297 9.888 0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.454 12.902 0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.896 13.916 0.788 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.140 11.200 0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.972 12.958 0.711 1.00 0.00 H new ATOM 342 N PRO A 21 5.823 12.124 2.249 1.00 0.00 N ATOM 343 CA PRO A 21 5.488 13.312 1.451 1.00 0.00 C ATOM 344 C PRO A 21 6.534 13.634 0.394 1.00 0.00 C ATOM 345 O PRO A 21 7.722 13.762 0.690 1.00 0.00 O ATOM 346 CB PRO A 21 5.431 14.428 2.496 1.00 0.00 C ATOM 347 CG PRO A 21 5.094 13.720 3.754 1.00 0.00 C ATOM 348 CD PRO A 21 5.846 12.426 3.690 1.00 0.00 C ATOM 0 HA PRO A 21 4.563 13.172 0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.384 14.951 2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.678 15.174 2.243 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.389 14.304 4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.021 13.548 3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.863 12.527 4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.363 11.645 4.277 1.00 0.00 H new ATOM 356 N LYS A 22 6.072 13.764 -0.842 1.00 0.00 N ATOM 357 CA LYS A 22 6.944 14.074 -1.966 1.00 0.00 C ATOM 358 C LYS A 22 7.112 15.583 -2.121 1.00 0.00 C ATOM 359 O LYS A 22 8.171 16.062 -2.530 1.00 0.00 O ATOM 360 CB LYS A 22 6.370 13.481 -3.254 1.00 0.00 C ATOM 361 CG LYS A 22 6.861 12.072 -3.544 1.00 0.00 C ATOM 362 CD LYS A 22 6.596 11.675 -4.987 1.00 0.00 C ATOM 363 CE LYS A 22 7.664 12.224 -5.922 1.00 0.00 C ATOM 364 NZ LYS A 22 7.069 12.979 -7.059 1.00 0.00 N ATOM 0 H LYS A 22 5.089 13.658 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 22 7.922 13.634 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.282 13.472 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.632 14.128 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.930 12.009 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.366 11.368 -2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.565 10.588 -5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.618 12.045 -5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.335 12.877 -5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.267 11.402 -6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.828 13.337 -7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.448 12.350 -7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.514 13.779 -6.692 1.00 0.00 H new ATOM 378 N ASN A 23 6.058 16.323 -1.796 1.00 0.00 N ATOM 379 CA ASN A 23 6.081 17.778 -1.903 1.00 0.00 C ATOM 380 C ASN A 23 6.346 18.426 -0.548 1.00 0.00 C ATOM 381 O ASN A 23 7.138 19.362 -0.442 1.00 0.00 O ATOM 382 CB ASN A 23 4.751 18.282 -2.465 1.00 0.00 C ATOM 383 CG ASN A 23 4.739 19.784 -2.672 1.00 0.00 C ATOM 384 OD1 ASN A 23 5.780 20.396 -2.915 1.00 0.00 O ATOM 385 ND2 ASN A 23 3.559 20.386 -2.574 1.00 0.00 N ATOM 0 H ASN A 23 5.176 15.939 -1.456 1.00 0.00 H new ATOM 0 HA ASN A 23 6.890 18.054 -2.579 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.551 17.786 -3.415 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.945 18.006 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.489 21.396 -2.702 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.723 19.839 -2.371 1.00 0.00 H new ATOM 392 N SER A 24 5.678 17.922 0.484 1.00 0.00 N ATOM 393 CA SER A 24 5.841 18.453 1.832 1.00 0.00 C ATOM 394 C SER A 24 7.055 17.832 2.512 1.00 0.00 C ATOM 395 O SER A 24 7.538 18.342 3.522 1.00 0.00 O ATOM 396 CB SER A 24 4.584 18.188 2.664 1.00 0.00 C ATOM 397 OG SER A 24 4.186 19.351 3.370 1.00 0.00 O ATOM 0 H SER A 24 5.019 17.147 0.413 1.00 0.00 H new ATOM 0 HA SER A 24 5.996 19.529 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.775 17.860 2.012 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.774 17.378 3.368 1.00 0.00 H new ATOM 0 HG SER A 24 3.380 19.157 3.893 1.00 0.00 H new ATOM 403 N VAL A 25 7.539 16.729 1.940 1.00 0.00 N ATOM 404 CA VAL A 25 8.701 16.011 2.464 1.00 0.00 C ATOM 405 C VAL A 25 8.513 15.622 3.931 1.00 0.00 C ATOM 406 O VAL A 25 7.559 16.045 4.584 1.00 0.00 O ATOM 407 CB VAL A 25 10.007 16.826 2.295 1.00 0.00 C ATOM 408 CG1 VAL A 25 9.924 17.715 1.063 1.00 0.00 C ATOM 409 CG2 VAL A 25 10.316 17.655 3.535 1.00 0.00 C ATOM 0 H VAL A 25 7.137 16.309 1.102 1.00 0.00 H new ATOM 0 HA VAL A 25 8.789 15.098 1.875 1.00 0.00 H new ATOM 0 HB VAL A 25 10.825 16.118 2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.850 18.281 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.775 17.097 0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.087 18.405 1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.239 18.213 3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.498 18.351 3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.432 16.995 4.394 1.00 0.00 H new ATOM 419 N GLY A 26 9.430 14.805 4.441 1.00 0.00 N ATOM 420 CA GLY A 26 9.346 14.370 5.822 1.00 0.00 C ATOM 421 C GLY A 26 9.895 12.973 6.028 1.00 0.00 C ATOM 422 O GLY A 26 10.930 12.616 5.465 1.00 0.00 O ATOM 0 H GLY A 26 10.228 14.438 3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.895 15.069 6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.305 14.399 6.145 1.00 0.00 H new ATOM 426 N ARG A 27 9.201 12.183 6.840 1.00 0.00 N ATOM 427 CA ARG A 27 9.623 10.816 7.125 1.00 0.00 C ATOM 428 C ARG A 27 8.666 9.805 6.502 1.00 0.00 C ATOM 429 O ARG A 27 7.496 10.106 6.265 1.00 0.00 O ATOM 430 CB ARG A 27 9.707 10.592 8.636 1.00 0.00 C ATOM 431 CG ARG A 27 10.419 9.307 9.023 1.00 0.00 C ATOM 432 CD ARG A 27 10.332 9.051 10.518 1.00 0.00 C ATOM 433 NE ARG A 27 11.372 9.763 11.255 1.00 0.00 N ATOM 434 CZ ARG A 27 11.172 10.920 11.882 1.00 0.00 C ATOM 435 NH1 ARG A 27 9.977 11.496 11.853 1.00 0.00 N ATOM 436 NH2 ARG A 27 12.168 11.504 12.535 1.00 0.00 N ATOM 0 H ARG A 27 8.343 12.466 7.313 1.00 0.00 H new ATOM 0 HA ARG A 27 10.610 10.670 6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.225 11.436 9.091 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.698 10.577 9.049 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.978 8.469 8.483 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.465 9.365 8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.353 9.360 10.883 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.420 7.981 10.709 1.00 0.00 H new ATOM 0 HE ARG A 27 12.304 9.351 11.291 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.209 11.052 11.349 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.826 12.383 12.334 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.089 11.066 12.557 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.013 12.391 13.015 1.00 0.00 H new ATOM 450 N TRP A 28 9.174 8.604 6.241 1.00 0.00 N ATOM 451 CA TRP A 28 8.369 7.542 5.646 1.00 0.00 C ATOM 452 C TRP A 28 7.459 6.895 6.687 1.00 0.00 C ATOM 453 O TRP A 28 7.532 7.210 7.874 1.00 0.00 O ATOM 454 CB TRP A 28 9.275 6.477 5.023 1.00 0.00 C ATOM 455 CG TRP A 28 9.992 6.938 3.791 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.152 7.657 3.737 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.599 6.708 2.433 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.502 7.888 2.429 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.565 7.314 1.610 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.523 6.046 1.835 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.486 7.279 0.219 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.447 6.012 0.456 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.423 6.624 -0.338 1.00 0.00 C ATOM 0 H TRP A 28 10.141 8.342 6.433 1.00 0.00 H new ATOM 0 HA TRP A 28 7.747 7.988 4.870 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.010 6.161 5.763 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.674 5.602 4.776 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.712 7.994 4.597 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.326 8.403 2.118 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.765 5.570 2.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.237 7.752 -0.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.620 5.504 -0.017 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.335 6.578 -1.413 1.00 0.00 H new ATOM 474 N LYS A 29 6.612 5.980 6.228 1.00 0.00 N ATOM 475 CA LYS A 29 5.692 5.267 7.107 1.00 0.00 C ATOM 476 C LYS A 29 5.630 3.804 6.694 1.00 0.00 C ATOM 477 O LYS A 29 5.558 3.500 5.509 1.00 0.00 O ATOM 478 CB LYS A 29 4.296 5.891 7.044 1.00 0.00 C ATOM 479 CG LYS A 29 4.002 6.847 8.189 1.00 0.00 C ATOM 480 CD LYS A 29 3.482 8.181 7.682 1.00 0.00 C ATOM 481 CE LYS A 29 2.796 8.970 8.787 1.00 0.00 C ATOM 482 NZ LYS A 29 1.320 8.778 8.777 1.00 0.00 N ATOM 0 H LYS A 29 6.544 5.713 5.246 1.00 0.00 H new ATOM 0 HA LYS A 29 6.053 5.340 8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.189 6.425 6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.551 5.095 7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.267 6.400 8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.909 7.007 8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.309 8.764 7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.780 8.012 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.195 8.662 9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.024 10.029 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.893 9.333 9.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.935 9.096 7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.100 7.771 8.914 1.00 0.00 H new ATOM 496 N GLU A 30 5.676 2.899 7.664 1.00 0.00 N ATOM 497 CA GLU A 30 5.644 1.473 7.357 1.00 0.00 C ATOM 498 C GLU A 30 4.447 0.777 7.999 1.00 0.00 C ATOM 499 O GLU A 30 4.181 0.937 9.191 1.00 0.00 O ATOM 500 CB GLU A 30 6.942 0.799 7.812 1.00 0.00 C ATOM 501 CG GLU A 30 7.551 1.417 9.061 1.00 0.00 C ATOM 502 CD GLU A 30 8.934 0.872 9.368 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.397 -0.026 8.633 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.554 1.346 10.343 1.00 0.00 O ATOM 0 H GLU A 30 5.735 3.122 8.658 1.00 0.00 H new ATOM 0 HA GLU A 30 5.545 1.378 6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.746 -0.257 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.669 0.849 7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.610 2.498 8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.894 1.231 9.911 1.00 0.00 H new ATOM 511 N ALA A 31 3.741 -0.009 7.191 1.00 0.00 N ATOM 512 CA ALA A 31 2.578 -0.759 7.651 1.00 0.00 C ATOM 513 C ALA A 31 2.643 -2.189 7.125 1.00 0.00 C ATOM 514 O ALA A 31 2.835 -2.407 5.929 1.00 0.00 O ATOM 515 CB ALA A 31 1.293 -0.083 7.200 1.00 0.00 C ATOM 0 H ALA A 31 3.958 -0.143 6.203 1.00 0.00 H new ATOM 0 HA ALA A 31 2.584 -0.783 8.741 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.436 -0.657 7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.248 0.925 7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.272 -0.031 6.111 1.00 0.00 H new ATOM 521 N THR A 32 2.507 -3.161 8.021 1.00 0.00 N ATOM 522 CA THR A 32 2.577 -4.563 7.627 1.00 0.00 C ATOM 523 C THR A 32 1.200 -5.213 7.535 1.00 0.00 C ATOM 524 O THR A 32 0.380 -5.099 8.446 1.00 0.00 O ATOM 525 CB THR A 32 3.446 -5.380 8.600 1.00 0.00 C ATOM 526 OG1 THR A 32 4.530 -4.577 9.085 1.00 0.00 O ATOM 527 CG2 THR A 32 3.994 -6.623 7.916 1.00 0.00 C ATOM 0 H THR A 32 2.349 -3.006 9.017 1.00 0.00 H new ATOM 0 HA THR A 32 3.031 -4.569 6.636 1.00 0.00 H new ATOM 0 HB THR A 32 2.823 -5.689 9.439 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.076 -5.105 9.704 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.605 -7.186 8.621 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.167 -7.245 7.575 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.603 -6.329 7.061 1.00 0.00 H new ATOM 535 N ILE A 33 0.973 -5.915 6.426 1.00 0.00 N ATOM 536 CA ILE A 33 -0.286 -6.618 6.192 1.00 0.00 C ATOM 537 C ILE A 33 -0.007 -7.979 5.556 1.00 0.00 C ATOM 538 O ILE A 33 0.360 -8.058 4.385 1.00 0.00 O ATOM 539 CB ILE A 33 -1.231 -5.818 5.268 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.760 -4.368 5.130 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.655 -5.867 5.797 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.084 -4.076 3.808 1.00 0.00 C ATOM 0 H ILE A 33 1.651 -6.012 5.670 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.776 -6.741 7.158 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.211 -6.277 4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.616 -3.704 5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.068 -4.140 5.941 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.309 -5.299 5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.992 -6.903 5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.687 -5.435 6.797 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.224 -3.031 3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.792 -4.715 3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.780 -4.272 2.992 1.00 0.00 H new ATOM 554 N PRO A 34 -0.157 -9.075 6.320 1.00 0.00 N ATOM 555 CA PRO A 34 0.107 -10.423 5.815 1.00 0.00 C ATOM 556 C PRO A 34 -1.057 -11.018 5.028 1.00 0.00 C ATOM 557 O PRO A 34 -2.035 -11.492 5.606 1.00 0.00 O ATOM 558 CB PRO A 34 0.357 -11.220 7.093 1.00 0.00 C ATOM 559 CG PRO A 34 -0.463 -10.538 8.138 1.00 0.00 C ATOM 560 CD PRO A 34 -0.565 -9.086 7.738 1.00 0.00 C ATOM 0 HA PRO A 34 0.935 -10.433 5.107 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.058 -12.261 6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.414 -11.220 7.358 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.453 -10.990 8.208 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.002 -10.636 9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.580 -8.708 7.864 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.087 -8.458 8.345 1.00 0.00 H new ATOM 568 N GLY A 35 -0.930 -11.006 3.702 1.00 0.00 N ATOM 569 CA GLY A 35 -1.962 -11.565 2.847 1.00 0.00 C ATOM 570 C GLY A 35 -3.154 -10.645 2.656 1.00 0.00 C ATOM 571 O GLY A 35 -4.168 -11.054 2.091 1.00 0.00 O ATOM 0 H GLY A 35 -0.128 -10.618 3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.531 -11.795 1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.305 -12.507 3.274 1.00 0.00 H new ATOM 575 N HIS A 36 -3.036 -9.404 3.124 1.00 0.00 N ATOM 576 CA HIS A 36 -4.120 -8.432 2.998 1.00 0.00 C ATOM 577 C HIS A 36 -5.419 -8.994 3.573 1.00 0.00 C ATOM 578 O HIS A 36 -6.210 -9.612 2.859 1.00 0.00 O ATOM 579 CB HIS A 36 -4.321 -8.046 1.530 1.00 0.00 C ATOM 580 CG HIS A 36 -3.816 -6.677 1.186 1.00 0.00 C ATOM 581 ND1 HIS A 36 -4.199 -6.044 0.029 1.00 0.00 N ATOM 582 CD2 HIS A 36 -2.969 -5.869 1.873 1.00 0.00 C ATOM 583 CE1 HIS A 36 -3.584 -4.874 0.034 1.00 0.00 C ATOM 584 NE2 HIS A 36 -2.828 -4.724 1.132 1.00 0.00 N ATOM 0 H HIS A 36 -2.203 -9.048 3.593 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.846 -7.541 3.564 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.815 -8.778 0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.383 -8.101 1.293 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.497 -6.086 2.820 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.678 -4.133 -0.746 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.257 -3.913 1.370 1.00 0.00 H new ATOM 592 N LEU A 37 -5.626 -8.781 4.868 1.00 0.00 N ATOM 593 CA LEU A 37 -6.823 -9.275 5.541 1.00 0.00 C ATOM 594 C LEU A 37 -8.073 -8.575 5.021 1.00 0.00 C ATOM 595 O LEU A 37 -9.182 -9.097 5.138 1.00 0.00 O ATOM 596 CB LEU A 37 -6.708 -9.084 7.060 1.00 0.00 C ATOM 597 CG LEU A 37 -5.338 -9.403 7.680 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.683 -10.598 6.999 1.00 0.00 C ATOM 599 CD2 LEU A 37 -4.427 -8.185 7.617 1.00 0.00 C ATOM 0 H LEU A 37 -4.982 -8.271 5.472 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.910 -10.340 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.959 -8.050 7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.457 -9.712 7.542 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.499 -9.665 8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.716 -10.796 7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.323 -11.474 7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.541 -10.381 5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.462 -8.429 8.060 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.285 -7.891 6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.881 -7.362 8.168 1.00 0.00 H new ATOM 611 N ASN A 38 -7.888 -7.393 4.443 1.00 0.00 N ATOM 612 CA ASN A 38 -9.003 -6.624 3.901 1.00 0.00 C ATOM 613 C ASN A 38 -8.497 -5.463 3.053 1.00 0.00 C ATOM 614 O ASN A 38 -7.300 -5.347 2.793 1.00 0.00 O ATOM 615 CB ASN A 38 -9.891 -6.100 5.032 1.00 0.00 C ATOM 616 CG ASN A 38 -9.120 -5.265 6.034 1.00 0.00 C ATOM 617 OD1 ASN A 38 -8.426 -5.797 6.900 1.00 0.00 O ATOM 618 ND2 ASN A 38 -9.240 -3.947 5.922 1.00 0.00 N ATOM 0 H ASN A 38 -6.977 -6.947 4.338 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.594 -7.285 3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.698 -5.501 4.609 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.355 -6.942 5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.746 -3.333 6.569 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.826 -3.549 5.189 1.00 0.00 H new ATOM 625 N SER A 39 -9.417 -4.604 2.625 1.00 0.00 N ATOM 626 CA SER A 39 -9.063 -3.450 1.806 1.00 0.00 C ATOM 627 C SER A 39 -8.457 -2.345 2.664 1.00 0.00 C ATOM 628 O SER A 39 -9.162 -1.671 3.416 1.00 0.00 O ATOM 629 CB SER A 39 -10.294 -2.922 1.067 1.00 0.00 C ATOM 630 OG SER A 39 -11.478 -3.542 1.540 1.00 0.00 O ATOM 0 H SER A 39 -10.413 -4.685 2.832 1.00 0.00 H new ATOM 0 HA SER A 39 -8.321 -3.768 1.074 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.367 -1.843 1.200 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.186 -3.105 -0.002 1.00 0.00 H new ATOM 0 HG SER A 39 -12.251 -3.186 1.053 1.00 0.00 H new ATOM 636 N TYR A 40 -7.145 -2.166 2.548 1.00 0.00 N ATOM 637 CA TYR A 40 -6.443 -1.146 3.316 1.00 0.00 C ATOM 638 C TYR A 40 -6.002 0.009 2.421 1.00 0.00 C ATOM 639 O TYR A 40 -5.095 -0.138 1.602 1.00 0.00 O ATOM 640 CB TYR A 40 -5.229 -1.754 4.025 1.00 0.00 C ATOM 641 CG TYR A 40 -4.425 -0.756 4.830 1.00 0.00 C ATOM 642 CD1 TYR A 40 -5.052 0.184 5.639 1.00 0.00 C ATOM 643 CD2 TYR A 40 -3.036 -0.755 4.780 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.319 1.096 6.373 1.00 0.00 C ATOM 645 CE2 TYR A 40 -2.297 0.153 5.512 1.00 0.00 C ATOM 646 CZ TYR A 40 -2.942 1.076 6.307 1.00 0.00 C ATOM 647 OH TYR A 40 -2.209 1.982 7.038 1.00 0.00 O ATOM 0 H TYR A 40 -6.547 -2.714 1.929 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.133 -0.755 4.064 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.569 -2.550 4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.579 -2.214 3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.130 0.202 5.695 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.526 -1.476 4.158 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.822 1.821 6.996 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.218 0.140 5.462 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.253 1.833 6.880 1.00 0.00 H new ATOM 657 N THR A 41 -6.650 1.157 2.589 1.00 0.00 N ATOM 658 CA THR A 41 -6.325 2.342 1.805 1.00 0.00 C ATOM 659 C THR A 41 -5.918 3.496 2.714 1.00 0.00 C ATOM 660 O THR A 41 -6.647 3.858 3.638 1.00 0.00 O ATOM 661 CB THR A 41 -7.515 2.783 0.932 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.540 1.783 0.956 1.00 0.00 O ATOM 663 CG2 THR A 41 -7.072 3.026 -0.504 1.00 0.00 C ATOM 0 H THR A 41 -7.404 1.291 3.262 1.00 0.00 H new ATOM 0 HA THR A 41 -5.491 2.078 1.155 1.00 0.00 H new ATOM 0 HB THR A 41 -7.908 3.715 1.338 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.293 2.073 0.400 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.929 3.336 -1.102 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.314 3.809 -0.523 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.656 2.107 -0.917 1.00 0.00 H new ATOM 671 N ILE A 42 -4.748 4.067 2.450 1.00 0.00 N ATOM 672 CA ILE A 42 -4.241 5.176 3.248 1.00 0.00 C ATOM 673 C ILE A 42 -4.854 6.501 2.803 1.00 0.00 C ATOM 674 O ILE A 42 -4.679 6.923 1.660 1.00 0.00 O ATOM 675 CB ILE A 42 -2.705 5.276 3.155 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.054 4.026 3.750 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.206 6.525 3.867 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.121 3.313 2.794 1.00 0.00 C ATOM 0 H ILE A 42 -4.133 3.780 1.689 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.524 4.978 4.282 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.427 5.346 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.498 4.307 4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.836 3.335 4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.120 6.578 3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.646 7.408 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.494 6.485 4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.697 2.437 3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.676 3.000 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.318 3.988 2.498 1.00 0.00 H new ATOM 690 N LYS A 43 -5.573 7.153 3.712 1.00 0.00 N ATOM 691 CA LYS A 43 -6.206 8.429 3.407 1.00 0.00 C ATOM 692 C LYS A 43 -5.931 9.458 4.498 1.00 0.00 C ATOM 693 O LYS A 43 -6.799 9.761 5.319 1.00 0.00 O ATOM 694 CB LYS A 43 -7.711 8.248 3.216 1.00 0.00 C ATOM 695 CG LYS A 43 -8.151 8.409 1.772 1.00 0.00 C ATOM 696 CD LYS A 43 -8.531 7.074 1.152 1.00 0.00 C ATOM 697 CE LYS A 43 -8.817 7.212 -0.335 1.00 0.00 C ATOM 698 NZ LYS A 43 -7.927 6.344 -1.154 1.00 0.00 N ATOM 0 H LYS A 43 -5.731 6.819 4.663 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.776 8.801 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.000 7.258 3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.240 8.974 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.002 9.089 1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.346 8.864 1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.723 6.358 1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.410 6.674 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.857 6.952 -0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.686 8.252 -0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.754 6.795 -2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.022 6.209 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.382 5.420 -1.301 1.00 0.00 H new ATOM 712 N GLY A 44 -4.719 9.999 4.491 1.00 0.00 N ATOM 713 CA GLY A 44 -4.337 10.999 5.468 1.00 0.00 C ATOM 714 C GLY A 44 -3.589 12.148 4.827 1.00 0.00 C ATOM 715 O GLY A 44 -2.840 12.865 5.491 1.00 0.00 O ATOM 0 H GLY A 44 -3.989 9.760 3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.228 11.378 5.968 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.712 10.540 6.234 1.00 0.00 H new ATOM 719 N LEU A 45 -3.795 12.314 3.523 1.00 0.00 N ATOM 720 CA LEU A 45 -3.140 13.375 2.767 1.00 0.00 C ATOM 721 C LEU A 45 -4.080 14.568 2.609 1.00 0.00 C ATOM 722 O LEU A 45 -5.019 14.734 3.388 1.00 0.00 O ATOM 723 CB LEU A 45 -2.694 12.863 1.383 1.00 0.00 C ATOM 724 CG LEU A 45 -2.366 11.363 1.281 1.00 0.00 C ATOM 725 CD1 LEU A 45 -1.553 10.891 2.476 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.638 10.538 1.145 1.00 0.00 C ATOM 0 H LEU A 45 -4.414 11.724 2.967 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.255 13.693 3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.482 13.090 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.812 13.427 1.078 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.762 11.219 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.338 9.827 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.617 11.447 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.120 11.059 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.380 9.481 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.272 10.700 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.174 10.841 0.246 1.00 0.00 H new ATOM 738 N LYS A 46 -3.831 15.392 1.594 1.00 0.00 N ATOM 739 CA LYS A 46 -4.662 16.560 1.337 1.00 0.00 C ATOM 740 C LYS A 46 -4.422 17.097 -0.074 1.00 0.00 C ATOM 741 O LYS A 46 -3.362 16.871 -0.658 1.00 0.00 O ATOM 742 CB LYS A 46 -4.379 17.650 2.369 1.00 0.00 C ATOM 743 CG LYS A 46 -2.901 17.960 2.535 1.00 0.00 C ATOM 744 CD LYS A 46 -2.594 18.500 3.922 1.00 0.00 C ATOM 745 CE LYS A 46 -1.567 17.638 4.639 1.00 0.00 C ATOM 746 NZ LYS A 46 -0.741 18.431 5.592 1.00 0.00 N ATOM 0 H LYS A 46 -3.060 15.270 0.937 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.707 16.259 1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.902 18.560 2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.788 17.343 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.317 17.057 2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.595 18.689 1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.222 19.521 3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.511 18.540 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.077 16.840 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.917 17.162 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.054 17.806 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.234 19.177 5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.358 18.865 6.308 1.00 0.00 H new ATOM 760 N PRO A 47 -5.409 17.815 -0.641 1.00 0.00 N ATOM 761 CA PRO A 47 -5.303 18.382 -1.990 1.00 0.00 C ATOM 762 C PRO A 47 -4.084 19.282 -2.154 1.00 0.00 C ATOM 763 O PRO A 47 -4.000 20.346 -1.540 1.00 0.00 O ATOM 764 CB PRO A 47 -6.592 19.204 -2.150 1.00 0.00 C ATOM 765 CG PRO A 47 -7.140 19.354 -0.771 1.00 0.00 C ATOM 766 CD PRO A 47 -6.706 18.130 -0.022 1.00 0.00 C ATOM 0 HA PRO A 47 -5.185 17.599 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.385 20.176 -2.598 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.303 18.697 -2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.760 20.258 -0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.227 19.436 -0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.609 18.322 1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.418 17.312 -0.135 1.00 0.00 H new ATOM 774 N GLY A 48 -3.146 18.855 -2.996 1.00 0.00 N ATOM 775 CA GLY A 48 -1.954 19.644 -3.231 1.00 0.00 C ATOM 776 C GLY A 48 -0.669 18.890 -2.950 1.00 0.00 C ATOM 777 O GLY A 48 0.386 19.240 -3.483 1.00 0.00 O ATOM 0 H GLY A 48 -3.192 17.979 -3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.949 19.982 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.988 20.536 -2.605 1.00 0.00 H new ATOM 781 N VAL A 49 -0.742 17.860 -2.109 1.00 0.00 N ATOM 782 CA VAL A 49 0.446 17.082 -1.772 1.00 0.00 C ATOM 783 C VAL A 49 0.302 15.616 -2.143 1.00 0.00 C ATOM 784 O VAL A 49 -0.727 14.992 -1.886 1.00 0.00 O ATOM 785 CB VAL A 49 0.798 17.158 -0.273 1.00 0.00 C ATOM 786 CG1 VAL A 49 2.202 17.705 -0.086 1.00 0.00 C ATOM 787 CG2 VAL A 49 -0.218 17.989 0.494 1.00 0.00 C ATOM 0 H VAL A 49 -1.600 17.548 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 49 1.247 17.533 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 49 0.765 16.147 0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.435 17.752 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.917 17.051 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.263 18.705 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.060 18.022 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.238 19.002 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.206 17.540 0.393 1.00 0.00 H new ATOM 797 N VAL A 50 1.366 15.067 -2.712 1.00 0.00 N ATOM 798 CA VAL A 50 1.400 13.664 -3.081 1.00 0.00 C ATOM 799 C VAL A 50 2.438 12.938 -2.243 1.00 0.00 C ATOM 800 O VAL A 50 3.447 13.521 -1.848 1.00 0.00 O ATOM 801 CB VAL A 50 1.717 13.437 -4.571 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.214 13.447 -4.808 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.124 12.115 -5.028 1.00 0.00 C ATOM 0 H VAL A 50 2.222 15.579 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 50 0.401 13.270 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 50 1.274 14.248 -5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.416 13.285 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.624 14.410 -4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.680 12.653 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.351 11.960 -6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.552 11.302 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.043 12.134 -4.889 1.00 0.00 H new ATOM 813 N TYR A 51 2.187 11.674 -1.973 1.00 0.00 N ATOM 814 CA TYR A 51 3.101 10.873 -1.180 1.00 0.00 C ATOM 815 C TYR A 51 3.702 9.761 -2.020 1.00 0.00 C ATOM 816 O TYR A 51 3.025 9.174 -2.865 1.00 0.00 O ATOM 817 CB TYR A 51 2.374 10.279 0.024 1.00 0.00 C ATOM 818 CG TYR A 51 2.005 11.303 1.073 1.00 0.00 C ATOM 819 CD1 TYR A 51 1.051 12.278 0.813 1.00 0.00 C ATOM 820 CD2 TYR A 51 2.611 11.294 2.320 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.712 13.216 1.768 1.00 0.00 C ATOM 822 CE2 TYR A 51 2.277 12.226 3.281 1.00 0.00 C ATOM 823 CZ TYR A 51 1.327 13.185 3.001 1.00 0.00 C ATOM 824 OH TYR A 51 0.992 14.118 3.956 1.00 0.00 O ATOM 0 H TYR A 51 1.356 11.176 -2.291 1.00 0.00 H new ATOM 0 HA TYR A 51 3.905 11.519 -0.827 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.468 9.780 -0.319 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.005 9.516 0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.566 12.303 -0.152 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.357 10.545 2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.031 13.969 1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.758 12.204 4.248 1.00 0.00 H new ATOM 0 HH TYR A 51 1.515 13.957 4.769 1.00 0.00 H new ATOM 834 N GLU A 52 4.967 9.457 -1.771 1.00 0.00 N ATOM 835 CA GLU A 52 5.633 8.389 -2.501 1.00 0.00 C ATOM 836 C GLU A 52 5.217 7.062 -1.897 1.00 0.00 C ATOM 837 O GLU A 52 5.289 6.895 -0.690 1.00 0.00 O ATOM 838 CB GLU A 52 7.153 8.553 -2.423 1.00 0.00 C ATOM 839 CG GLU A 52 7.872 8.201 -3.714 1.00 0.00 C ATOM 840 CD GLU A 52 9.220 8.884 -3.831 1.00 0.00 C ATOM 841 OE1 GLU A 52 10.205 8.354 -3.274 1.00 0.00 O ATOM 842 OE2 GLU A 52 9.291 9.949 -4.478 1.00 0.00 O ATOM 0 H GLU A 52 5.547 9.929 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 52 5.345 8.427 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.385 9.584 -2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.537 7.923 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.009 7.121 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.249 8.485 -4.562 1.00 0.00 H new ATOM 849 N GLY A 53 4.762 6.129 -2.722 1.00 0.00 N ATOM 850 CA GLY A 53 4.321 4.851 -2.191 1.00 0.00 C ATOM 851 C GLY A 53 5.056 3.669 -2.777 1.00 0.00 C ATOM 852 O GLY A 53 5.228 3.572 -3.989 1.00 0.00 O ATOM 0 H GLY A 53 4.690 6.229 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.453 4.851 -1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.254 4.736 -2.382 1.00 0.00 H new ATOM 856 N GLN A 54 5.482 2.762 -1.909 1.00 0.00 N ATOM 857 CA GLN A 54 6.191 1.568 -2.338 1.00 0.00 C ATOM 858 C GLN A 54 5.642 0.331 -1.637 1.00 0.00 C ATOM 859 O GLN A 54 5.735 0.209 -0.415 1.00 0.00 O ATOM 860 CB GLN A 54 7.687 1.705 -2.060 1.00 0.00 C ATOM 861 CG GLN A 54 8.535 0.705 -2.826 1.00 0.00 C ATOM 862 CD GLN A 54 10.018 0.998 -2.729 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.810 0.138 -2.343 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.404 2.220 -3.080 1.00 0.00 N ATOM 0 H GLN A 54 5.348 2.832 -0.900 1.00 0.00 H new ATOM 0 HA GLN A 54 6.041 1.454 -3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.006 2.715 -2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.864 1.578 -0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.341 -0.297 -2.444 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.236 0.709 -3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.714 2.902 -3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.390 2.476 -3.035 1.00 0.00 H new ATOM 873 N LEU A 55 5.082 -0.590 -2.413 1.00 0.00 N ATOM 874 CA LEU A 55 4.537 -1.821 -1.855 1.00 0.00 C ATOM 875 C LEU A 55 5.530 -2.957 -2.035 1.00 0.00 C ATOM 876 O LEU A 55 5.743 -3.443 -3.146 1.00 0.00 O ATOM 877 CB LEU A 55 3.204 -2.180 -2.514 1.00 0.00 C ATOM 878 CG LEU A 55 2.199 -2.926 -1.621 1.00 0.00 C ATOM 879 CD1 LEU A 55 2.881 -3.593 -0.432 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.107 -1.985 -1.139 1.00 0.00 C ATOM 0 H LEU A 55 4.994 -0.508 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 55 4.359 -1.664 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.736 -1.262 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.407 -2.793 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 55 1.749 -3.711 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.135 -4.109 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.617 -4.312 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.379 -2.836 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.407 -2.533 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.554 -1.173 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.577 -1.573 -1.998 1.00 0.00 H new ATOM 892 N ILE A 56 6.144 -3.368 -0.932 1.00 0.00 N ATOM 893 CA ILE A 56 7.127 -4.435 -0.964 1.00 0.00 C ATOM 894 C ILE A 56 6.618 -5.687 -0.264 1.00 0.00 C ATOM 895 O ILE A 56 6.413 -5.694 0.949 1.00 0.00 O ATOM 896 CB ILE A 56 8.445 -3.993 -0.301 1.00 0.00 C ATOM 897 CG1 ILE A 56 8.913 -2.662 -0.885 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.515 -5.052 -0.496 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.361 -1.450 -0.164 1.00 0.00 C ATOM 0 H ILE A 56 5.976 -2.976 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 56 7.307 -4.665 -2.014 1.00 0.00 H new ATOM 0 HB ILE A 56 8.268 -3.865 0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.002 -2.626 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.621 -2.613 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.441 -4.726 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.187 -5.988 -0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.687 -5.204 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.738 -0.543 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.272 -1.461 -0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.675 -1.473 0.880 1.00 0.00 H new ATOM 911 N SER A 57 6.436 -6.749 -1.036 1.00 0.00 N ATOM 912 CA SER A 57 5.972 -8.013 -0.495 1.00 0.00 C ATOM 913 C SER A 57 7.144 -8.805 0.064 1.00 0.00 C ATOM 914 O SER A 57 8.222 -8.841 -0.529 1.00 0.00 O ATOM 915 CB SER A 57 5.257 -8.823 -1.572 1.00 0.00 C ATOM 916 OG SER A 57 4.703 -7.978 -2.564 1.00 0.00 O ATOM 0 H SER A 57 6.604 -6.757 -2.042 1.00 0.00 H new ATOM 0 HA SER A 57 5.267 -7.808 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.958 -9.519 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.467 -9.421 -1.117 1.00 0.00 H new ATOM 0 HG SER A 57 4.393 -8.520 -3.320 1.00 0.00 H new ATOM 922 N ILE A 58 6.931 -9.421 1.215 1.00 0.00 N ATOM 923 CA ILE A 58 7.970 -10.206 1.868 1.00 0.00 C ATOM 924 C ILE A 58 7.604 -11.682 1.941 1.00 0.00 C ATOM 925 O ILE A 58 6.726 -12.078 2.712 1.00 0.00 O ATOM 926 CB ILE A 58 8.256 -9.682 3.286 1.00 0.00 C ATOM 927 CG1 ILE A 58 8.546 -8.183 3.238 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.423 -10.439 3.903 1.00 0.00 C ATOM 929 CD1 ILE A 58 7.610 -7.355 4.092 1.00 0.00 C ATOM 0 H ILE A 58 6.045 -9.393 1.720 1.00 0.00 H new ATOM 0 HA ILE A 58 8.868 -10.101 1.259 1.00 0.00 H new ATOM 0 HB ILE A 58 7.377 -9.845 3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.571 -8.010 3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.479 -7.842 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.614 -10.058 4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.180 -11.500 3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.312 -10.302 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.877 -6.301 4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.584 -7.498 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.694 -7.668 5.133 1.00 0.00 H new ATOM 941 N GLN A 59 8.290 -12.493 1.143 1.00 0.00 N ATOM 942 CA GLN A 59 8.054 -13.928 1.119 1.00 0.00 C ATOM 943 C GLN A 59 8.882 -14.629 2.192 1.00 0.00 C ATOM 944 O GLN A 59 9.559 -13.980 2.988 1.00 0.00 O ATOM 945 CB GLN A 59 8.391 -14.500 -0.256 1.00 0.00 C ATOM 946 CG GLN A 59 7.493 -15.652 -0.672 1.00 0.00 C ATOM 947 CD GLN A 59 6.112 -15.192 -1.095 1.00 0.00 C ATOM 948 OE1 GLN A 59 5.908 -14.771 -2.234 1.00 0.00 O ATOM 949 NE2 GLN A 59 5.155 -15.270 -0.179 1.00 0.00 N ATOM 0 H GLN A 59 9.017 -12.177 0.502 1.00 0.00 H new ATOM 0 HA GLN A 59 6.998 -14.102 1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.317 -13.706 -0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.427 -14.840 -0.255 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.960 -16.192 -1.495 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.400 -16.353 0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.369 -15.625 0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.206 -14.975 -0.407 1.00 0.00 H new ATOM 958 N GLN A 60 8.813 -15.954 2.209 1.00 0.00 N ATOM 959 CA GLN A 60 9.546 -16.751 3.188 1.00 0.00 C ATOM 960 C GLN A 60 11.056 -16.547 3.062 1.00 0.00 C ATOM 961 O GLN A 60 11.805 -16.824 4.001 1.00 0.00 O ATOM 962 CB GLN A 60 9.213 -18.237 3.022 1.00 0.00 C ATOM 963 CG GLN A 60 7.797 -18.498 2.531 1.00 0.00 C ATOM 964 CD GLN A 60 6.746 -17.826 3.393 1.00 0.00 C ATOM 965 OE1 GLN A 60 5.885 -17.103 2.892 1.00 0.00 O ATOM 966 NE2 GLN A 60 6.812 -18.063 4.699 1.00 0.00 N ATOM 0 H GLN A 60 8.255 -16.502 1.554 1.00 0.00 H new ATOM 0 HA GLN A 60 9.238 -16.417 4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.919 -18.682 2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.355 -18.740 3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.701 -18.143 1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.615 -19.573 2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.543 -18.669 5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.132 -17.639 5.329 1.00 0.00 H new ATOM 975 N TYR A 61 11.501 -16.070 1.902 1.00 0.00 N ATOM 976 CA TYR A 61 12.926 -15.844 1.668 1.00 0.00 C ATOM 977 C TYR A 61 13.283 -14.362 1.773 1.00 0.00 C ATOM 978 O TYR A 61 14.351 -13.943 1.327 1.00 0.00 O ATOM 979 CB TYR A 61 13.350 -16.381 0.296 1.00 0.00 C ATOM 980 CG TYR A 61 12.197 -16.736 -0.619 1.00 0.00 C ATOM 981 CD1 TYR A 61 11.631 -18.005 -0.598 1.00 0.00 C ATOM 982 CD2 TYR A 61 11.681 -15.802 -1.509 1.00 0.00 C ATOM 983 CE1 TYR A 61 10.583 -18.331 -1.437 1.00 0.00 C ATOM 984 CE2 TYR A 61 10.633 -16.121 -2.350 1.00 0.00 C ATOM 985 CZ TYR A 61 10.087 -17.386 -2.311 1.00 0.00 C ATOM 986 OH TYR A 61 9.043 -17.708 -3.147 1.00 0.00 O ATOM 0 H TYR A 61 10.900 -15.833 1.113 1.00 0.00 H new ATOM 0 HA TYR A 61 13.467 -16.386 2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.973 -15.634 -0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.969 -17.266 0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 61 12.016 -18.748 0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.107 -14.810 -1.544 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.154 -19.322 -1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.243 -15.383 -3.035 1.00 0.00 H new ATOM 0 HH TYR A 61 8.813 -16.931 -3.698 1.00 0.00 H new ATOM 996 N GLY A 62 12.388 -13.575 2.362 1.00 0.00 N ATOM 997 CA GLY A 62 12.636 -12.149 2.509 1.00 0.00 C ATOM 998 C GLY A 62 12.260 -11.368 1.265 1.00 0.00 C ATOM 999 O GLY A 62 11.077 -11.216 0.959 1.00 0.00 O ATOM 0 H GLY A 62 11.497 -13.897 2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.069 -11.770 3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.691 -11.987 2.732 1.00 0.00 H new ATOM 1003 N HIS A 63 13.267 -10.880 0.542 1.00 0.00 N ATOM 1004 CA HIS A 63 13.031 -10.121 -0.682 1.00 0.00 C ATOM 1005 C HIS A 63 12.107 -10.901 -1.605 1.00 0.00 C ATOM 1006 O HIS A 63 12.476 -11.958 -2.119 1.00 0.00 O ATOM 1007 CB HIS A 63 14.355 -9.824 -1.387 1.00 0.00 C ATOM 1008 CG HIS A 63 15.273 -8.955 -0.587 1.00 0.00 C ATOM 1009 ND1 HIS A 63 16.438 -9.447 -0.052 1.00 0.00 N ATOM 1010 CD2 HIS A 63 15.152 -7.645 -0.257 1.00 0.00 C ATOM 1011 CE1 HIS A 63 16.999 -8.435 0.587 1.00 0.00 C ATOM 1012 NE2 HIS A 63 16.256 -7.323 0.491 1.00 0.00 N ATOM 0 H HIS A 63 14.251 -10.997 0.783 1.00 0.00 H new ATOM 0 HA HIS A 63 12.557 -9.174 -0.423 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.859 -10.765 -1.609 1.00 0.00 H new ATOM 0 HB3 HIS A 63 14.149 -9.340 -2.342 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.343 -6.984 -0.530 1.00 0.00 H new ATOM 0 HE1 HIS A 63 17.937 -8.496 1.119 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.471 -6.412 0.897 1.00 0.00 H new ATOM 1020 N GLN A 64 10.893 -10.398 -1.786 1.00 0.00 N ATOM 1021 CA GLN A 64 9.910 -11.077 -2.618 1.00 0.00 C ATOM 1022 C GLN A 64 9.432 -10.212 -3.783 1.00 0.00 C ATOM 1023 O GLN A 64 9.687 -10.532 -4.944 1.00 0.00 O ATOM 1024 CB GLN A 64 8.721 -11.505 -1.753 1.00 0.00 C ATOM 1025 CG GLN A 64 7.468 -11.852 -2.539 1.00 0.00 C ATOM 1026 CD GLN A 64 7.748 -12.749 -3.729 1.00 0.00 C ATOM 1027 OE1 GLN A 64 7.263 -12.504 -4.834 1.00 0.00 O ATOM 1028 NE2 GLN A 64 8.538 -13.794 -3.509 1.00 0.00 N ATOM 0 H GLN A 64 10.567 -9.526 -1.370 1.00 0.00 H new ATOM 0 HA GLN A 64 10.392 -11.953 -3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.013 -12.370 -1.157 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.487 -10.701 -1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.756 -12.346 -1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.997 -10.933 -2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.918 -13.959 -2.577 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.765 -14.432 -4.272 1.00 0.00 H new ATOM 1037 N GLU A 65 8.708 -9.141 -3.475 1.00 0.00 N ATOM 1038 CA GLU A 65 8.167 -8.269 -4.513 1.00 0.00 C ATOM 1039 C GLU A 65 8.272 -6.793 -4.143 1.00 0.00 C ATOM 1040 O GLU A 65 8.143 -6.422 -2.980 1.00 0.00 O ATOM 1041 CB GLU A 65 6.703 -8.630 -4.770 1.00 0.00 C ATOM 1042 CG GLU A 65 6.323 -8.621 -6.241 1.00 0.00 C ATOM 1043 CD GLU A 65 5.087 -9.451 -6.532 1.00 0.00 C ATOM 1044 OE1 GLU A 65 4.009 -9.120 -5.994 1.00 0.00 O ATOM 1045 OE2 GLU A 65 5.197 -10.430 -7.299 1.00 0.00 O ATOM 0 H GLU A 65 8.483 -8.857 -2.522 1.00 0.00 H new ATOM 0 HA GLU A 65 8.761 -8.423 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.504 -9.619 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.065 -7.927 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.149 -7.594 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.158 -9.001 -6.830 1.00 0.00 H new ATOM 1052 N VAL A 66 8.501 -5.952 -5.150 1.00 0.00 N ATOM 1053 CA VAL A 66 8.607 -4.512 -4.941 1.00 0.00 C ATOM 1054 C VAL A 66 7.811 -3.748 -6.000 1.00 0.00 C ATOM 1055 O VAL A 66 7.895 -4.052 -7.189 1.00 0.00 O ATOM 1056 CB VAL A 66 10.073 -4.043 -4.963 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.156 -2.534 -4.785 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.873 -4.759 -3.885 1.00 0.00 C ATOM 0 H VAL A 66 8.617 -6.245 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 66 8.191 -4.300 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 66 10.503 -4.293 -5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.200 -2.222 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.616 -2.042 -5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.711 -2.255 -3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.908 -4.417 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.444 -4.539 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.841 -5.834 -4.062 1.00 0.00 H new ATOM 1068 N THR A 67 7.037 -2.757 -5.561 1.00 0.00 N ATOM 1069 CA THR A 67 6.228 -1.955 -6.476 1.00 0.00 C ATOM 1070 C THR A 67 6.308 -0.470 -6.128 1.00 0.00 C ATOM 1071 O THR A 67 6.207 -0.092 -4.963 1.00 0.00 O ATOM 1072 CB THR A 67 4.751 -2.395 -6.455 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.661 -3.817 -6.601 1.00 0.00 O ATOM 1074 CG2 THR A 67 3.967 -1.718 -7.570 1.00 0.00 C ATOM 0 H THR A 67 6.953 -2.491 -4.580 1.00 0.00 H new ATOM 0 HA THR A 67 6.634 -2.114 -7.475 1.00 0.00 H new ATOM 0 HB THR A 67 4.322 -2.099 -5.498 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.720 -4.089 -6.585 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.928 -2.045 -7.534 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.012 -0.637 -7.442 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.399 -1.987 -8.534 1.00 0.00 H new ATOM 1082 N ARG A 68 6.496 0.366 -7.146 1.00 0.00 N ATOM 1083 CA ARG A 68 6.594 1.808 -6.944 1.00 0.00 C ATOM 1084 C ARG A 68 5.392 2.538 -7.542 1.00 0.00 C ATOM 1085 O ARG A 68 5.114 2.423 -8.735 1.00 0.00 O ATOM 1086 CB ARG A 68 7.886 2.341 -7.561 1.00 0.00 C ATOM 1087 CG ARG A 68 9.140 1.848 -6.861 1.00 0.00 C ATOM 1088 CD ARG A 68 10.075 2.997 -6.519 1.00 0.00 C ATOM 1089 NE ARG A 68 11.186 3.095 -7.460 1.00 0.00 N ATOM 1090 CZ ARG A 68 11.114 3.735 -8.623 1.00 0.00 C ATOM 1091 NH1 ARG A 68 9.990 4.342 -8.981 1.00 0.00 N ATOM 1092 NH2 ARG A 68 12.167 3.772 -9.427 1.00 0.00 N ATOM 0 H ARG A 68 6.583 0.070 -8.118 1.00 0.00 H new ATOM 0 HA ARG A 68 6.603 1.994 -5.870 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.926 2.048 -8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.869 3.431 -7.535 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.865 1.318 -5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.658 1.134 -7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.515 3.932 -6.520 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.465 2.860 -5.510 1.00 0.00 H new ATOM 0 HE ARG A 68 12.068 2.647 -7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.179 4.318 -8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.937 4.832 -9.874 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.034 3.309 -9.154 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.111 4.263 -10.319 1.00 0.00 H new ATOM 1106 N PHE A 69 4.688 3.291 -6.701 1.00 0.00 N ATOM 1107 CA PHE A 69 3.518 4.048 -7.140 1.00 0.00 C ATOM 1108 C PHE A 69 3.251 5.240 -6.217 1.00 0.00 C ATOM 1109 O PHE A 69 3.269 5.106 -4.993 1.00 0.00 O ATOM 1110 CB PHE A 69 2.285 3.137 -7.194 1.00 0.00 C ATOM 1111 CG PHE A 69 1.763 2.732 -5.842 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.532 1.955 -4.990 1.00 0.00 C ATOM 1113 CD2 PHE A 69 0.503 3.132 -5.424 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.054 1.583 -3.747 1.00 0.00 C ATOM 1115 CE2 PHE A 69 0.020 2.762 -4.182 1.00 0.00 C ATOM 1116 CZ PHE A 69 0.797 1.988 -3.343 1.00 0.00 C ATOM 0 H PHE A 69 4.907 3.394 -5.710 1.00 0.00 H new ATOM 0 HA PHE A 69 3.722 4.432 -8.140 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.492 3.648 -7.740 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.534 2.239 -7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.516 1.636 -5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.108 3.739 -6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.663 0.977 -3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.964 3.078 -3.869 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.422 1.700 -2.372 1.00 0.00 H new ATOM 1126 N ASP A 70 2.996 6.403 -6.810 1.00 0.00 N ATOM 1127 CA ASP A 70 2.716 7.614 -6.041 1.00 0.00 C ATOM 1128 C ASP A 70 1.214 7.878 -5.998 1.00 0.00 C ATOM 1129 O ASP A 70 0.524 7.718 -7.006 1.00 0.00 O ATOM 1130 CB ASP A 70 3.444 8.813 -6.651 1.00 0.00 C ATOM 1131 CG ASP A 70 4.863 8.477 -7.069 1.00 0.00 C ATOM 1132 OD1 ASP A 70 5.676 8.133 -6.185 1.00 0.00 O ATOM 1133 OD2 ASP A 70 5.161 8.562 -8.279 1.00 0.00 O ATOM 0 H ASP A 70 2.977 6.533 -7.821 1.00 0.00 H new ATOM 0 HA ASP A 70 3.076 7.468 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.888 9.170 -7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.465 9.628 -5.928 1.00 0.00 H new ATOM 1138 N PHE A 71 0.703 8.264 -4.831 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.727 8.521 -4.688 1.00 0.00 C ATOM 1140 C PHE A 71 -1.034 9.546 -3.598 1.00 0.00 C ATOM 1141 O PHE A 71 -0.246 9.756 -2.675 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.458 7.213 -4.368 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.340 6.802 -2.924 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.187 6.192 -2.454 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.380 7.035 -2.036 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -0.073 5.822 -1.126 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -2.271 6.666 -0.708 1.00 0.00 C ATOM 1148 CZ PHE A 71 -1.118 6.060 -0.252 1.00 0.00 C ATOM 0 H PHE A 71 1.250 8.404 -3.981 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.073 8.933 -5.636 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.512 7.323 -4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.059 6.418 -4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.632 6.004 -3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.285 7.510 -2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.831 5.348 -0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.089 6.852 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.032 5.772 0.785 1.00 0.00 H new ATOM 1158 N THR A 72 -2.216 10.145 -3.707 1.00 0.00 N ATOM 1159 CA THR A 72 -2.701 11.118 -2.738 1.00 0.00 C ATOM 1160 C THR A 72 -4.204 10.954 -2.556 1.00 0.00 C ATOM 1161 O THR A 72 -4.859 10.270 -3.343 1.00 0.00 O ATOM 1162 CB THR A 72 -2.400 12.573 -3.151 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.525 13.411 -2.862 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.063 12.671 -4.629 1.00 0.00 C ATOM 0 H THR A 72 -2.866 9.967 -4.473 1.00 0.00 H new ATOM 0 HA THR A 72 -2.174 10.925 -1.803 1.00 0.00 H new ATOM 0 HB THR A 72 -1.536 12.908 -2.578 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.022 13.587 -3.688 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.856 13.710 -4.887 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.185 12.062 -4.843 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.906 12.312 -5.219 1.00 0.00 H new ATOM 1172 N THR A 73 -4.745 11.575 -1.522 1.00 0.00 N ATOM 1173 CA THR A 73 -6.176 11.485 -1.249 1.00 0.00 C ATOM 1174 C THR A 73 -6.987 12.228 -2.305 1.00 0.00 C ATOM 1175 O THR A 73 -8.017 11.738 -2.767 1.00 0.00 O ATOM 1176 CB THR A 73 -6.524 12.044 0.140 1.00 0.00 C ATOM 1177 OG1 THR A 73 -7.945 12.120 0.299 1.00 0.00 O ATOM 1178 CG2 THR A 73 -5.912 13.419 0.335 1.00 0.00 C ATOM 0 H THR A 73 -4.221 12.145 -0.858 1.00 0.00 H new ATOM 0 HA THR A 73 -6.434 10.426 -1.277 1.00 0.00 H new ATOM 0 HB THR A 73 -6.113 11.370 0.892 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.156 12.476 1.187 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.171 13.796 1.325 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.828 13.351 0.245 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.297 14.100 -0.424 1.00 0.00 H new ATOM 1186 N THR A 74 -6.518 13.414 -2.687 1.00 0.00 N ATOM 1187 CA THR A 74 -7.206 14.217 -3.690 1.00 0.00 C ATOM 1188 C THR A 74 -6.219 14.773 -4.715 1.00 0.00 C ATOM 1189 O THR A 74 -5.044 14.410 -4.715 1.00 0.00 O ATOM 1190 CB THR A 74 -7.993 15.382 -3.048 1.00 0.00 C ATOM 1191 OG1 THR A 74 -7.362 16.630 -3.349 1.00 0.00 O ATOM 1192 CG2 THR A 74 -8.093 15.219 -1.535 1.00 0.00 C ATOM 0 H THR A 74 -5.667 13.837 -2.317 1.00 0.00 H new ATOM 0 HA THR A 74 -7.914 13.558 -4.193 1.00 0.00 H new ATOM 0 HB THR A 74 -9.000 15.369 -3.465 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.936 17.151 -3.948 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.652 16.055 -1.115 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.606 14.286 -1.303 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.092 15.199 -1.104 1.00 0.00 H new ATOM 1200 N SER A 75 -6.708 15.656 -5.586 1.00 0.00 N ATOM 1201 CA SER A 75 -5.876 16.271 -6.619 1.00 0.00 C ATOM 1202 C SER A 75 -5.418 15.241 -7.648 1.00 0.00 C ATOM 1203 O SER A 75 -5.596 14.037 -7.460 1.00 0.00 O ATOM 1204 CB SER A 75 -4.660 16.961 -5.993 1.00 0.00 C ATOM 1205 OG SER A 75 -4.613 18.332 -6.344 1.00 0.00 O ATOM 0 H SER A 75 -7.681 15.962 -5.596 1.00 0.00 H new ATOM 0 HA SER A 75 -6.484 17.018 -7.130 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.700 16.862 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.747 16.466 -6.325 1.00 0.00 H new ATOM 0 HG SER A 75 -3.829 18.749 -5.930 1.00 0.00 H new ATOM 1211 N THR A 76 -4.825 15.727 -8.735 1.00 0.00 N ATOM 1212 CA THR A 76 -4.337 14.854 -9.798 1.00 0.00 C ATOM 1213 C THR A 76 -2.816 14.744 -9.762 1.00 0.00 C ATOM 1214 O THR A 76 -2.117 15.747 -9.619 1.00 0.00 O ATOM 1215 CB THR A 76 -4.774 15.357 -11.190 1.00 0.00 C ATOM 1216 OG1 THR A 76 -3.822 14.953 -12.180 1.00 0.00 O ATOM 1217 CG2 THR A 76 -4.912 16.873 -11.206 1.00 0.00 C ATOM 0 H THR A 76 -4.671 16.721 -8.903 1.00 0.00 H new ATOM 0 HA THR A 76 -4.775 13.871 -9.625 1.00 0.00 H new ATOM 0 HB THR A 76 -5.746 14.918 -11.417 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.108 15.275 -13.060 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.221 17.200 -12.199 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.660 17.178 -10.474 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.954 17.328 -10.956 1.00 0.00 H new ATOM 1225 N SER A 77 -2.311 13.520 -9.889 1.00 0.00 N ATOM 1226 CA SER A 77 -0.873 13.282 -9.867 1.00 0.00 C ATOM 1227 C SER A 77 -0.507 12.053 -10.695 1.00 0.00 C ATOM 1228 O SER A 77 0.596 11.966 -11.235 1.00 0.00 O ATOM 1229 CB SER A 77 -0.386 13.102 -8.427 1.00 0.00 C ATOM 1230 OG SER A 77 -0.666 14.251 -7.645 1.00 0.00 O ATOM 0 H SER A 77 -2.876 12.679 -10.008 1.00 0.00 H new ATOM 0 HA SER A 77 -0.383 14.151 -10.305 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.868 12.231 -7.983 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.687 12.909 -8.424 1.00 0.00 H new ATOM 0 HG SER A 77 -0.346 14.109 -6.729 1.00 0.00 H new ATOM 1236 N THR A 78 -1.434 11.105 -10.789 1.00 0.00 N ATOM 1237 CA THR A 78 -1.202 9.882 -11.550 1.00 0.00 C ATOM 1238 C THR A 78 -2.461 9.442 -12.297 1.00 0.00 C ATOM 1239 O THR A 78 -3.387 8.895 -11.699 1.00 0.00 O ATOM 1240 CB THR A 78 -0.734 8.730 -10.637 1.00 0.00 C ATOM 1241 OG1 THR A 78 -0.975 7.471 -11.276 1.00 0.00 O ATOM 1242 CG2 THR A 78 -1.456 8.772 -9.298 1.00 0.00 C ATOM 0 H THR A 78 -2.352 11.160 -10.348 1.00 0.00 H new ATOM 0 HA THR A 78 -0.417 10.109 -12.272 1.00 0.00 H new ATOM 0 HB THR A 78 0.335 8.848 -10.458 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.674 6.744 -10.691 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.109 7.950 -8.672 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.247 9.720 -8.802 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.530 8.676 -9.460 1.00 0.00 H new ATOM 1250 N PRO A 79 -2.510 9.673 -13.623 1.00 0.00 N ATOM 1251 CA PRO A 79 -3.659 9.297 -14.449 1.00 0.00 C ATOM 1252 C PRO A 79 -3.661 7.812 -14.799 1.00 0.00 C ATOM 1253 O PRO A 79 -2.873 7.036 -14.254 1.00 0.00 O ATOM 1254 CB PRO A 79 -3.472 10.145 -15.704 1.00 0.00 C ATOM 1255 CG PRO A 79 -1.995 10.311 -15.827 1.00 0.00 C ATOM 1256 CD PRO A 79 -1.448 10.321 -14.422 1.00 0.00 C ATOM 0 HA PRO A 79 -4.607 9.465 -13.939 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.890 9.652 -16.582 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.973 11.108 -15.610 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.560 9.497 -16.407 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -1.750 11.238 -16.345 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.508 9.774 -14.355 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.251 11.336 -14.077 1.00 0.00 H new ATOM 1264 N GLY A 80 -4.547 7.421 -15.710 1.00 0.00 N ATOM 1265 CA GLY A 80 -4.633 6.029 -16.116 1.00 0.00 C ATOM 1266 C GLY A 80 -3.738 5.714 -17.297 1.00 0.00 C ATOM 1267 O GLY A 80 -4.222 5.397 -18.385 1.00 0.00 O ATOM 0 H GLY A 80 -5.208 8.044 -16.175 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.359 5.391 -15.276 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.665 5.792 -16.373 1.00 0.00 H new ATOM 1271 N SER A 81 -2.429 5.804 -17.085 1.00 0.00 N ATOM 1272 CA SER A 81 -1.461 5.528 -18.140 1.00 0.00 C ATOM 1273 C SER A 81 -0.629 4.293 -17.810 1.00 0.00 C ATOM 1274 O SER A 81 0.103 3.781 -18.658 1.00 0.00 O ATOM 1275 CB SER A 81 -0.543 6.736 -18.344 1.00 0.00 C ATOM 1276 OG SER A 81 -1.104 7.654 -19.266 1.00 0.00 O ATOM 0 H SER A 81 -2.014 6.066 -16.191 1.00 0.00 H new ATOM 0 HA SER A 81 -2.011 5.335 -19.061 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.374 7.233 -17.389 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.429 6.401 -18.706 1.00 0.00 H new ATOM 0 HG SER A 81 -0.499 8.417 -19.377 1.00 0.00 H new ATOM 1282 N ARG A 82 -0.747 3.817 -16.574 1.00 0.00 N ATOM 1283 CA ARG A 82 -0.004 2.642 -16.133 1.00 0.00 C ATOM 1284 C ARG A 82 -0.951 1.506 -15.757 1.00 0.00 C ATOM 1285 O ARG A 82 -2.139 1.544 -16.079 1.00 0.00 O ATOM 1286 CB ARG A 82 0.889 2.996 -14.942 1.00 0.00 C ATOM 1287 CG ARG A 82 2.036 3.926 -15.299 1.00 0.00 C ATOM 1288 CD ARG A 82 3.283 3.610 -14.490 1.00 0.00 C ATOM 1289 NE ARG A 82 4.383 3.151 -15.333 1.00 0.00 N ATOM 1290 CZ ARG A 82 5.666 3.326 -15.033 1.00 0.00 C ATOM 1291 NH1 ARG A 82 6.009 3.971 -13.925 1.00 0.00 N ATOM 1292 NH2 ARG A 82 6.608 2.861 -15.842 1.00 0.00 N ATOM 0 H ARG A 82 -1.350 4.227 -15.861 1.00 0.00 H new ATOM 0 HA ARG A 82 0.622 2.307 -16.960 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.280 3.464 -14.168 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.295 2.078 -14.517 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.259 3.838 -16.362 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.737 4.959 -15.120 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.594 4.499 -13.942 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.050 2.844 -13.750 1.00 0.00 H new ATOM 0 HE ARG A 82 4.154 2.668 -16.202 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.287 4.333 -13.302 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.994 4.104 -13.697 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.349 2.368 -16.696 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.592 2.996 -15.610 1.00 0.00 H new ATOM 1306 N SER A 83 -0.416 0.495 -15.079 1.00 0.00 N ATOM 1307 CA SER A 83 -1.211 -0.654 -14.661 1.00 0.00 C ATOM 1308 C SER A 83 -1.312 -0.726 -13.141 1.00 0.00 C ATOM 1309 O SER A 83 -0.364 -0.393 -12.430 1.00 0.00 O ATOM 1310 CB SER A 83 -0.599 -1.946 -15.204 1.00 0.00 C ATOM 1311 OG SER A 83 -0.356 -1.849 -16.596 1.00 0.00 O ATOM 0 H SER A 83 0.566 0.449 -14.807 1.00 0.00 H new ATOM 0 HA SER A 83 -2.216 -0.535 -15.067 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.335 -2.157 -14.683 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.271 -2.781 -15.006 1.00 0.00 H new ATOM 0 HG SER A 83 0.037 -2.687 -16.919 1.00 0.00 H new ATOM 1317 N HIS A 84 -2.467 -1.165 -12.652 1.00 0.00 N ATOM 1318 CA HIS A 84 -2.697 -1.285 -11.217 1.00 0.00 C ATOM 1319 C HIS A 84 -3.887 -2.198 -10.934 1.00 0.00 C ATOM 1320 O HIS A 84 -3.832 -3.046 -10.043 1.00 0.00 O ATOM 1321 CB HIS A 84 -2.937 0.094 -10.602 1.00 0.00 C ATOM 1322 CG HIS A 84 -2.220 0.302 -9.304 1.00 0.00 C ATOM 1323 ND1 HIS A 84 -2.849 0.103 -8.100 1.00 0.00 N ATOM 1324 CD2 HIS A 84 -0.941 0.687 -9.078 1.00 0.00 C ATOM 1325 CE1 HIS A 84 -1.947 0.369 -7.172 1.00 0.00 C ATOM 1326 NE2 HIS A 84 -0.775 0.728 -7.717 1.00 0.00 N ATOM 0 H HIS A 84 -3.260 -1.444 -13.230 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.808 -1.725 -10.765 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.619 0.859 -11.310 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.007 0.231 -10.443 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.196 0.917 -9.825 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.130 0.305 -6.110 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.076 0.983 -7.216 1.00 0.00 H new ATOM 1334 N HIS A 85 -4.958 -2.018 -11.700 1.00 0.00 N ATOM 1335 CA HIS A 85 -6.162 -2.825 -11.536 1.00 0.00 C ATOM 1336 C HIS A 85 -7.002 -2.807 -12.809 1.00 0.00 C ATOM 1337 O HIS A 85 -6.854 -1.921 -13.651 1.00 0.00 O ATOM 1338 CB HIS A 85 -6.991 -2.314 -10.356 1.00 0.00 C ATOM 1339 CG HIS A 85 -7.826 -3.374 -9.706 1.00 0.00 C ATOM 1340 ND1 HIS A 85 -7.655 -4.705 -10.003 1.00 0.00 N ATOM 1341 CD2 HIS A 85 -8.811 -3.249 -8.784 1.00 0.00 C ATOM 1342 CE1 HIS A 85 -8.532 -5.356 -9.260 1.00 0.00 C ATOM 1343 NE2 HIS A 85 -9.257 -4.516 -8.504 1.00 0.00 N ATOM 0 H HIS A 85 -5.017 -1.320 -12.441 1.00 0.00 H new ATOM 0 HA HIS A 85 -5.857 -3.852 -11.335 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -6.321 -1.884 -9.612 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -7.642 -1.511 -10.701 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -9.175 -2.329 -8.352 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -8.651 -6.429 -9.261 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -9.996 -4.770 -7.849 1.00 0.00 H new ATOM 1351 N HIS A 86 -7.886 -3.792 -12.944 1.00 0.00 N ATOM 1352 CA HIS A 86 -8.749 -3.889 -14.114 1.00 0.00 C ATOM 1353 C HIS A 86 -9.956 -2.965 -13.978 1.00 0.00 C ATOM 1354 O HIS A 86 -11.054 -3.406 -13.638 1.00 0.00 O ATOM 1355 CB HIS A 86 -9.215 -5.332 -14.312 1.00 0.00 C ATOM 1356 CG HIS A 86 -9.207 -5.771 -15.743 1.00 0.00 C ATOM 1357 ND1 HIS A 86 -8.208 -6.572 -16.240 1.00 0.00 N ATOM 1358 CD2 HIS A 86 -10.090 -5.495 -16.733 1.00 0.00 C ATOM 1359 CE1 HIS A 86 -8.501 -6.764 -17.514 1.00 0.00 C ATOM 1360 NE2 HIS A 86 -9.633 -6.131 -17.858 1.00 0.00 N ATOM 0 H HIS A 86 -8.022 -4.533 -12.257 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.173 -3.578 -14.986 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -8.573 -5.996 -13.733 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.224 -5.438 -13.913 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -10.981 -4.891 -16.651 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.905 -7.356 -18.193 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -10.070 -6.124 -18.780 1.00 0.00 H new ATOM 1368 N HIS A 87 -9.745 -1.681 -14.246 1.00 0.00 N ATOM 1369 CA HIS A 87 -10.814 -0.694 -14.154 1.00 0.00 C ATOM 1370 C HIS A 87 -10.800 0.239 -15.361 1.00 0.00 C ATOM 1371 O HIS A 87 -10.038 0.033 -16.306 1.00 0.00 O ATOM 1372 CB HIS A 87 -10.679 0.119 -12.866 1.00 0.00 C ATOM 1373 CG HIS A 87 -11.645 -0.289 -11.796 1.00 0.00 C ATOM 1374 ND1 HIS A 87 -12.074 -1.589 -11.677 1.00 0.00 N ATOM 1375 CD2 HIS A 87 -12.229 0.461 -10.830 1.00 0.00 C ATOM 1376 CE1 HIS A 87 -12.903 -1.603 -10.647 1.00 0.00 C ATOM 1377 NE2 HIS A 87 -13.029 -0.382 -10.102 1.00 0.00 N ATOM 0 H HIS A 87 -8.842 -1.299 -14.529 1.00 0.00 H new ATOM 0 HA HIS A 87 -11.764 -1.227 -14.140 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -9.663 0.015 -12.485 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -10.827 1.174 -13.095 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -11.808 -2.380 -12.263 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -12.091 1.519 -10.665 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -13.414 -2.485 -10.289 1.00 0.00 H new ATOM 1385 N HIS A 88 -11.644 1.264 -15.322 1.00 0.00 N ATOM 1386 CA HIS A 88 -11.728 2.228 -16.414 1.00 0.00 C ATOM 1387 C HIS A 88 -10.925 3.485 -16.094 1.00 0.00 C ATOM 1388 O HIS A 88 -10.201 3.532 -15.099 1.00 0.00 O ATOM 1389 CB HIS A 88 -13.189 2.597 -16.687 1.00 0.00 C ATOM 1390 CG HIS A 88 -13.987 2.861 -15.447 1.00 0.00 C ATOM 1391 ND1 HIS A 88 -15.188 2.234 -15.223 1.00 0.00 N ATOM 1392 CD2 HIS A 88 -13.718 3.688 -14.407 1.00 0.00 C ATOM 1393 CE1 HIS A 88 -15.622 2.688 -14.061 1.00 0.00 C ATOM 1394 NE2 HIS A 88 -14.765 3.572 -13.529 1.00 0.00 N ATOM 0 H HIS A 88 -12.280 1.449 -14.546 1.00 0.00 H new ATOM 0 HA HIS A 88 -11.305 1.766 -17.306 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -13.218 3.482 -17.322 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -13.660 1.788 -17.246 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -12.847 4.317 -14.292 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -16.550 2.386 -13.598 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -14.872 4.064 -12.642 1.00 0.00 H new ATOM 1402 N HIS A 89 -11.060 4.499 -16.944 1.00 0.00 N ATOM 1403 CA HIS A 89 -10.351 5.761 -16.758 1.00 0.00 C ATOM 1404 C HIS A 89 -8.843 5.532 -16.675 1.00 0.00 C ATOM 1405 O HIS A 89 -8.260 5.804 -15.604 1.00 0.00 O ATOM 1406 CB HIS A 89 -10.846 6.468 -15.492 1.00 0.00 C ATOM 1407 CG HIS A 89 -11.979 7.416 -15.734 1.00 0.00 C ATOM 1408 ND1 HIS A 89 -11.758 8.751 -15.973 1.00 0.00 N ATOM 1409 CD2 HIS A 89 -13.314 7.178 -15.758 1.00 0.00 C ATOM 1410 CE1 HIS A 89 -12.951 9.293 -16.135 1.00 0.00 C ATOM 1411 NE2 HIS A 89 -13.926 8.379 -16.013 1.00 0.00 N ATOM 1412 OXT HIS A 89 -8.259 5.081 -17.683 1.00 0.00 O ATOM 0 H HIS A 89 -11.656 4.471 -17.771 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.555 6.395 -17.621 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.161 5.717 -14.767 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.016 7.015 -15.044 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -13.801 6.226 -15.606 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.121 10.340 -16.340 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -14.929 8.545 -16.094 1.00 0.00 H new TER 1420 HIS A 89