USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 751 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 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 56 TYR OH : rot 30:sc= -0.677 USER MOD Single : A 0 HIS : no HE2:sc= -0.101 K(o=-0.1,f=-2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=-0.17) USER MOD Single : A 6 LYS NZ :NH3+ -150:sc= -0.257 (180deg=-1.46!) USER MOD Single : A -1 SER OG : rot -59:sc= 0.769 USER MOD Single : A -2 GLY N :NH3+ -126:sc= 0.0909 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -111:sc= -0.0759 (180deg=-1.15) USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= -0.0742 (180deg=-0.565) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.302 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 32 ASN : amide:sc= -0.0616 X(o=-0.062,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.11 K(o=-2.1,f=-7.1!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.0176 (180deg=-0.212) USER MOD Single : A 53 TYR OH : rot -158:sc= 0.663 USER MOD Single : A 55 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-2) USER MOD Single : A 58 ASN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0935 USER MOD Single : A 73 ASN : amide:sc= -0.504 K(o=-0.5,f=-2.8) USER MOD Single : A 76 LYS NZ :NH3+ -123:sc= 0.0816 (180deg=0) USER MOD Single : A 80 TYR OH : rot -142:sc= 1.07 USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -0.117 (180deg=-0.599) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 13.191 -6.864 -3.941 1.00 0.00 N ATOM 2 CA GLY A -2 14.095 -6.607 -5.048 1.00 0.00 C ATOM 3 C GLY A -2 14.599 -5.178 -5.064 1.00 0.00 C ATOM 4 O GLY A -2 14.132 -4.338 -4.294 1.00 0.00 O ATOM 0 H1 GLY A -2 13.531 -7.683 -3.398 1.00 0.00 H new ATOM 0 H2 GLY A -2 13.154 -6.029 -3.322 1.00 0.00 H new ATOM 0 H3 GLY A -2 12.239 -7.064 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A -2 14.944 -7.288 -4.986 1.00 0.00 H new ATOM 0 HA3 GLY A -2 13.584 -6.820 -5.987 1.00 0.00 H new ATOM 8 N SER A -1 15.558 -4.900 -5.942 1.00 0.00 N ATOM 9 CA SER A -1 16.131 -3.564 -6.051 1.00 0.00 C ATOM 10 C SER A -1 15.585 -2.837 -7.277 1.00 0.00 C ATOM 11 O SER A -1 16.339 -2.242 -8.047 1.00 0.00 O ATOM 12 CB SER A -1 17.656 -3.644 -6.130 1.00 0.00 C ATOM 13 OG SER A -1 18.232 -2.352 -6.212 1.00 0.00 O ATOM 0 H SER A -1 15.954 -5.583 -6.588 1.00 0.00 H new ATOM 0 HA SER A -1 15.850 -3.002 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A -1 18.042 -4.162 -5.252 1.00 0.00 H new ATOM 0 HB3 SER A -1 17.948 -4.231 -7.001 1.00 0.00 H new ATOM 0 HG SER A -1 17.894 -1.893 -7.010 1.00 0.00 H new ATOM 19 N HIS A 0 14.268 -2.891 -7.451 1.00 0.00 N ATOM 20 CA HIS A 0 13.619 -2.238 -8.583 1.00 0.00 C ATOM 21 C HIS A 0 12.912 -0.961 -8.140 1.00 0.00 C ATOM 22 O HIS A 0 11.902 -0.566 -8.722 1.00 0.00 O ATOM 23 CB HIS A 0 12.618 -3.188 -9.241 1.00 0.00 C ATOM 24 CG HIS A 0 11.572 -3.702 -8.300 1.00 0.00 C ATOM 25 ND1 HIS A 0 10.591 -2.901 -7.754 1.00 0.00 N ATOM 26 CD2 HIS A 0 11.356 -4.945 -7.809 1.00 0.00 C ATOM 27 CE1 HIS A 0 9.819 -3.628 -6.968 1.00 0.00 C ATOM 28 NE2 HIS A 0 10.261 -4.873 -6.984 1.00 0.00 N ATOM 0 H HIS A 0 13.630 -3.380 -6.823 1.00 0.00 H new ATOM 0 HA HIS A 0 14.388 -1.973 -9.309 1.00 0.00 H new ATOM 0 HB2 HIS A 0 12.129 -2.672 -10.068 1.00 0.00 H new ATOM 0 HB3 HIS A 0 13.158 -4.033 -9.668 1.00 0.00 H new ATOM 0 HD1 HIS A 0 10.479 -1.903 -7.930 1.00 0.00 H new ATOM 0 HD2 HIS A 0 11.937 -5.829 -8.026 1.00 0.00 H new ATOM 0 HE1 HIS A 0 8.970 -3.266 -6.407 1.00 0.00 H new ATOM 36 N MET A 1 13.449 -0.320 -7.107 1.00 0.00 N ATOM 37 CA MET A 1 12.868 0.912 -6.587 1.00 0.00 C ATOM 38 C MET A 1 13.099 2.071 -7.552 1.00 0.00 C ATOM 39 O MET A 1 14.118 2.124 -8.241 1.00 0.00 O ATOM 40 CB MET A 1 13.467 1.246 -5.219 1.00 0.00 C ATOM 41 CG MET A 1 14.935 1.635 -5.277 1.00 0.00 C ATOM 42 SD MET A 1 15.580 2.153 -3.675 1.00 0.00 S ATOM 43 CE MET A 1 16.185 0.594 -3.034 1.00 0.00 C ATOM 0 H MET A 1 14.285 -0.633 -6.614 1.00 0.00 H new ATOM 0 HA MET A 1 11.794 0.760 -6.478 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.900 2.063 -4.773 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.354 0.384 -4.562 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.517 0.789 -5.642 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.064 2.445 -5.995 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.615 0.750 -2.045 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.360 -0.115 -2.963 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.948 0.197 -3.703 1.00 0.00 H new ATOM 53 N SER A 2 12.146 2.997 -7.597 1.00 0.00 N ATOM 54 CA SER A 2 12.244 4.152 -8.481 1.00 0.00 C ATOM 55 C SER A 2 12.897 5.331 -7.765 1.00 0.00 C ATOM 56 O SER A 2 13.526 6.183 -8.393 1.00 0.00 O ATOM 57 CB SER A 2 10.857 4.553 -8.987 1.00 0.00 C ATOM 58 OG SER A 2 10.947 5.281 -10.200 1.00 0.00 O ATOM 0 H SER A 2 11.298 2.969 -7.032 1.00 0.00 H new ATOM 0 HA SER A 2 12.867 3.875 -9.331 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.250 3.661 -9.139 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.352 5.157 -8.233 1.00 0.00 H new ATOM 0 HG SER A 2 10.047 5.524 -10.503 1.00 0.00 H new ATOM 64 N HIS A 3 12.741 5.373 -6.445 1.00 0.00 N ATOM 65 CA HIS A 3 13.316 6.446 -5.641 1.00 0.00 C ATOM 66 C HIS A 3 14.809 6.593 -5.918 1.00 0.00 C ATOM 67 O HIS A 3 15.467 5.645 -6.347 1.00 0.00 O ATOM 68 CB HIS A 3 13.085 6.177 -4.154 1.00 0.00 C ATOM 69 CG HIS A 3 13.048 7.420 -3.319 1.00 0.00 C ATOM 70 ND1 HIS A 3 12.180 8.464 -3.562 1.00 0.00 N ATOM 71 CD2 HIS A 3 13.777 7.782 -2.238 1.00 0.00 C ATOM 72 CE1 HIS A 3 12.379 9.416 -2.667 1.00 0.00 C ATOM 73 NE2 HIS A 3 13.342 9.026 -1.852 1.00 0.00 N ATOM 0 H HIS A 3 12.222 4.677 -5.910 1.00 0.00 H new ATOM 0 HA HIS A 3 12.821 7.377 -5.915 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.145 5.639 -4.032 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.876 5.524 -3.784 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.556 7.201 -1.767 1.00 0.00 H new ATOM 0 HE1 HIS A 3 11.845 10.353 -2.612 1.00 0.00 H new ATOM 0 HE2 HIS A 3 13.704 9.562 -1.063 1.00 0.00 H new ATOM 81 N ASP A 4 15.336 7.787 -5.671 1.00 0.00 N ATOM 82 CA ASP A 4 16.752 8.058 -5.894 1.00 0.00 C ATOM 83 C ASP A 4 17.432 8.491 -4.599 1.00 0.00 C ATOM 84 O ASP A 4 16.770 8.756 -3.596 1.00 0.00 O ATOM 85 CB ASP A 4 16.924 9.139 -6.961 1.00 0.00 C ATOM 86 CG ASP A 4 16.193 10.420 -6.611 1.00 0.00 C ATOM 87 OD1 ASP A 4 14.959 10.470 -6.801 1.00 0.00 O ATOM 88 OD2 ASP A 4 16.854 11.372 -6.147 1.00 0.00 O ATOM 0 H ASP A 4 14.805 8.582 -5.317 1.00 0.00 H new ATOM 0 HA ASP A 4 17.223 7.138 -6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 4 17.985 9.353 -7.089 1.00 0.00 H new ATOM 0 HB3 ASP A 4 16.557 8.764 -7.916 1.00 0.00 H new ATOM 93 N GLY A 5 18.760 8.559 -4.628 1.00 0.00 N ATOM 94 CA GLY A 5 19.508 8.959 -3.450 1.00 0.00 C ATOM 95 C GLY A 5 19.668 10.463 -3.347 1.00 0.00 C ATOM 96 O GLY A 5 19.950 10.993 -2.273 1.00 0.00 O ATOM 0 H GLY A 5 19.331 8.344 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 5 19.001 8.589 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 5 20.493 8.493 -3.473 1.00 0.00 H new ATOM 100 N LYS A 6 19.488 11.153 -4.468 1.00 0.00 N ATOM 101 CA LYS A 6 19.613 12.605 -4.502 1.00 0.00 C ATOM 102 C LYS A 6 18.390 13.271 -3.879 1.00 0.00 C ATOM 103 O LYS A 6 17.457 13.656 -4.582 1.00 0.00 O ATOM 104 CB LYS A 6 19.793 13.089 -5.942 1.00 0.00 C ATOM 105 CG LYS A 6 20.370 14.491 -6.045 1.00 0.00 C ATOM 106 CD LYS A 6 20.574 14.904 -7.493 1.00 0.00 C ATOM 107 CE LYS A 6 19.340 15.596 -8.054 1.00 0.00 C ATOM 108 NZ LYS A 6 18.266 14.622 -8.396 1.00 0.00 N ATOM 0 H LYS A 6 19.255 10.729 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 6 20.492 12.883 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 6 20.448 12.396 -6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.828 13.064 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 6 19.701 15.198 -5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 6 21.322 14.534 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.432 15.573 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 6 20.805 14.025 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.962 16.312 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 6 19.614 16.162 -8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.702 14.991 -9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.694 13.715 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.651 14.479 -7.570 1.00 0.00 H new ATOM 122 N GLU A 7 18.404 13.405 -2.556 1.00 0.00 N ATOM 123 CA GLU A 7 17.296 14.026 -1.840 1.00 0.00 C ATOM 124 C GLU A 7 17.798 14.802 -0.627 1.00 0.00 C ATOM 125 O GLU A 7 18.137 14.216 0.401 1.00 0.00 O ATOM 126 CB GLU A 7 16.287 12.964 -1.398 1.00 0.00 C ATOM 127 CG GLU A 7 14.977 13.543 -0.889 1.00 0.00 C ATOM 128 CD GLU A 7 13.914 13.618 -1.967 1.00 0.00 C ATOM 129 OE1 GLU A 7 13.811 12.664 -2.767 1.00 0.00 O ATOM 130 OE2 GLU A 7 13.184 14.630 -2.011 1.00 0.00 O ATOM 0 H GLU A 7 19.170 13.092 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 7 16.805 14.724 -2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.079 12.301 -2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.734 12.354 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.610 12.932 -0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.156 14.542 -0.491 1.00 0.00 H new ATOM 137 N GLU A 8 17.844 16.125 -0.755 1.00 0.00 N ATOM 138 CA GLU A 8 18.306 16.981 0.331 1.00 0.00 C ATOM 139 C GLU A 8 17.570 16.661 1.628 1.00 0.00 C ATOM 140 O GLU A 8 16.464 16.120 1.626 1.00 0.00 O ATOM 141 CB GLU A 8 18.107 18.454 -0.031 1.00 0.00 C ATOM 142 CG GLU A 8 16.755 18.749 -0.659 1.00 0.00 C ATOM 143 CD GLU A 8 16.492 20.235 -0.807 1.00 0.00 C ATOM 144 OE1 GLU A 8 17.307 21.034 -0.301 1.00 0.00 O ATOM 145 OE2 GLU A 8 15.471 20.598 -1.427 1.00 0.00 O ATOM 0 H GLU A 8 17.567 16.626 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 8 19.369 16.791 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 8 18.220 19.059 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 8 18.893 18.759 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.703 18.275 -1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.970 18.304 -0.048 1.00 0.00 H new ATOM 152 N PRO A 9 18.196 17.002 2.764 1.00 0.00 N ATOM 153 CA PRO A 9 17.620 16.760 4.090 1.00 0.00 C ATOM 154 C PRO A 9 16.417 17.654 4.370 1.00 0.00 C ATOM 155 O PRO A 9 16.008 18.446 3.521 1.00 0.00 O ATOM 156 CB PRO A 9 18.769 17.096 5.043 1.00 0.00 C ATOM 157 CG PRO A 9 19.622 18.054 4.286 1.00 0.00 C ATOM 158 CD PRO A 9 19.516 17.650 2.841 1.00 0.00 C ATOM 0 HA PRO A 9 17.248 15.741 4.193 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.400 17.540 5.967 1.00 0.00 H new ATOM 0 HB3 PRO A 9 19.328 16.202 5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.281 19.079 4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.656 18.011 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 9 19.580 18.512 2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.316 16.967 2.555 1.00 0.00 H new ATOM 166 N GLY A 10 15.853 17.523 5.567 1.00 0.00 N ATOM 167 CA GLY A 10 14.702 18.326 5.938 1.00 0.00 C ATOM 168 C GLY A 10 13.404 17.546 5.866 1.00 0.00 C ATOM 169 O GLY A 10 12.933 17.211 4.779 1.00 0.00 O ATOM 0 H GLY A 10 16.173 16.875 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.839 18.705 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.639 19.192 5.279 1.00 0.00 H new ATOM 173 N ILE A 11 12.826 17.255 7.026 1.00 0.00 N ATOM 174 CA ILE A 11 11.575 16.510 7.090 1.00 0.00 C ATOM 175 C ILE A 11 10.388 17.444 7.302 1.00 0.00 C ATOM 176 O ILE A 11 10.300 18.130 8.320 1.00 0.00 O ATOM 177 CB ILE A 11 11.600 15.464 8.221 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.828 14.562 8.084 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.323 14.637 8.205 1.00 0.00 C ATOM 180 CD1 ILE A 11 14.048 15.089 8.807 1.00 0.00 C ATOM 0 H ILE A 11 13.204 17.524 7.934 1.00 0.00 H new ATOM 0 HA ILE A 11 11.464 15.998 6.134 1.00 0.00 H new ATOM 0 HB ILE A 11 11.661 15.985 9.177 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.586 13.572 8.470 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.065 14.443 7.027 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.355 13.902 9.010 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.463 15.292 8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.234 14.123 7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.880 14.399 8.667 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.315 16.066 8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.829 15.182 9.871 1.00 0.00 H new ATOM 192 N ALA A 12 9.477 17.463 6.335 1.00 0.00 N ATOM 193 CA ALA A 12 8.293 18.309 6.418 1.00 0.00 C ATOM 194 C ALA A 12 7.060 17.493 6.789 1.00 0.00 C ATOM 195 O ALA A 12 6.656 16.590 6.056 1.00 0.00 O ATOM 196 CB ALA A 12 8.071 19.035 5.099 1.00 0.00 C ATOM 0 H ALA A 12 9.536 16.902 5.485 1.00 0.00 H new ATOM 0 HA ALA A 12 8.457 19.047 7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.184 19.663 5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.938 19.657 4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.932 18.306 4.301 1.00 0.00 H new ATOM 202 N LYS A 13 6.465 17.816 7.933 1.00 0.00 N ATOM 203 CA LYS A 13 5.277 17.114 8.403 1.00 0.00 C ATOM 204 C LYS A 13 4.263 18.091 8.989 1.00 0.00 C ATOM 205 O LYS A 13 4.633 19.115 9.564 1.00 0.00 O ATOM 206 CB LYS A 13 5.659 16.068 9.453 1.00 0.00 C ATOM 207 CG LYS A 13 6.019 16.665 10.802 1.00 0.00 C ATOM 208 CD LYS A 13 6.350 15.585 11.819 1.00 0.00 C ATOM 209 CE LYS A 13 7.741 15.013 11.592 1.00 0.00 C ATOM 210 NZ LYS A 13 7.710 13.810 10.715 1.00 0.00 N ATOM 0 H LYS A 13 6.787 18.560 8.552 1.00 0.00 H new ATOM 0 HA LYS A 13 4.821 16.613 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.828 15.374 9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.505 15.487 9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.872 17.334 10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.188 17.268 11.168 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.286 15.999 12.825 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.612 14.785 11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.378 15.774 11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.187 14.751 12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.952 12.967 11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.757 13.697 10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.399 13.924 9.944 1.00 0.00 H new ATOM 224 N LYS A 14 2.983 17.768 8.841 1.00 0.00 N ATOM 225 CA LYS A 14 1.915 18.616 9.358 1.00 0.00 C ATOM 226 C LYS A 14 1.391 18.082 10.687 1.00 0.00 C ATOM 227 O LYS A 14 0.881 16.964 10.759 1.00 0.00 O ATOM 228 CB LYS A 14 0.771 18.704 8.345 1.00 0.00 C ATOM 229 CG LYS A 14 1.222 19.105 6.951 1.00 0.00 C ATOM 230 CD LYS A 14 0.136 19.868 6.211 1.00 0.00 C ATOM 231 CE LYS A 14 0.194 19.608 4.713 1.00 0.00 C ATOM 232 NZ LYS A 14 -0.106 18.187 4.385 1.00 0.00 N ATOM 0 H LYS A 14 2.660 16.925 8.367 1.00 0.00 H new ATOM 0 HA LYS A 14 2.324 19.613 9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.269 17.738 8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.036 19.426 8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.118 19.722 7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.492 18.214 6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.841 19.575 6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.246 20.936 6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.519 20.257 4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.184 19.866 4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.502 18.128 3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.769 17.627 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.795 17.811 5.067 1.00 0.00 H new ATOM 246 N ILE A 15 1.520 18.888 11.735 1.00 0.00 N ATOM 247 CA ILE A 15 1.057 18.496 13.061 1.00 0.00 C ATOM 248 C ILE A 15 -0.113 19.364 13.513 1.00 0.00 C ATOM 249 O ILE A 15 -0.352 20.437 12.961 1.00 0.00 O ATOM 250 CB ILE A 15 2.187 18.594 14.103 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.745 20.017 14.151 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.290 17.597 13.782 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.373 20.376 15.480 1.00 0.00 C ATOM 0 H ILE A 15 1.941 19.816 11.692 1.00 0.00 H new ATOM 0 HA ILE A 15 0.730 17.459 12.988 1.00 0.00 H new ATOM 0 HB ILE A 15 1.779 18.352 15.084 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.490 20.133 13.363 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.941 20.721 13.936 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.082 17.678 14.527 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.882 16.586 13.794 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.698 17.811 12.794 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.747 21.399 15.441 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.626 20.292 16.270 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.199 19.695 15.688 1.00 0.00 H new ATOM 265 N ASN A 16 -0.837 18.892 14.522 1.00 0.00 N ATOM 266 CA ASN A 16 -1.982 19.625 15.050 1.00 0.00 C ATOM 267 C ASN A 16 -1.748 20.024 16.504 1.00 0.00 C ATOM 268 O ASN A 16 -2.324 20.997 16.992 1.00 0.00 O ATOM 269 CB ASN A 16 -3.251 18.779 14.939 1.00 0.00 C ATOM 270 CG ASN A 16 -4.507 19.626 14.863 1.00 0.00 C ATOM 271 OD1 ASN A 16 -4.802 20.401 15.773 1.00 0.00 O ATOM 272 ND2 ASN A 16 -5.253 19.482 13.774 1.00 0.00 N ATOM 0 H ASN A 16 -0.651 18.005 14.991 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.106 20.532 14.458 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.187 18.148 14.052 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.317 18.113 15.800 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.109 20.026 13.667 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.970 18.828 13.045 1.00 0.00 H new ATOM 279 N SER A 17 -0.900 19.266 17.191 1.00 0.00 N ATOM 280 CA SER A 17 -0.592 19.538 18.590 1.00 0.00 C ATOM 281 C SER A 17 0.736 20.277 18.721 1.00 0.00 C ATOM 282 O SER A 17 1.669 20.043 17.952 1.00 0.00 O ATOM 283 CB SER A 17 -0.543 18.233 19.387 1.00 0.00 C ATOM 284 OG SER A 17 -1.592 17.361 19.003 1.00 0.00 O ATOM 0 H SER A 17 -0.414 18.458 16.802 1.00 0.00 H new ATOM 0 HA SER A 17 -1.382 20.172 18.993 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.418 17.743 19.229 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.619 18.451 20.452 1.00 0.00 H new ATOM 0 HG SER A 17 -1.538 16.534 19.526 1.00 0.00 H new ATOM 290 N VAL A 18 0.815 21.172 19.701 1.00 0.00 N ATOM 291 CA VAL A 18 2.029 21.946 19.934 1.00 0.00 C ATOM 292 C VAL A 18 3.014 21.173 20.803 1.00 0.00 C ATOM 293 O VAL A 18 4.175 21.561 20.939 1.00 0.00 O ATOM 294 CB VAL A 18 1.714 23.294 20.609 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.699 24.077 19.790 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.211 23.075 22.028 1.00 0.00 C ATOM 0 H VAL A 18 0.053 21.379 20.346 1.00 0.00 H new ATOM 0 HA VAL A 18 2.478 22.133 18.959 1.00 0.00 H new ATOM 0 HB VAL A 18 2.633 23.878 20.660 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.489 25.026 20.282 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.102 24.266 18.795 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.222 23.501 19.705 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.993 24.038 22.490 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.304 22.471 22.003 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.975 22.558 22.609 1.00 0.00 H new ATOM 306 N ASP A 19 2.544 20.078 21.390 1.00 0.00 N ATOM 307 CA ASP A 19 3.385 19.248 22.245 1.00 0.00 C ATOM 308 C ASP A 19 4.564 18.680 21.462 1.00 0.00 C ATOM 309 O ASP A 19 5.668 18.549 21.992 1.00 0.00 O ATOM 310 CB ASP A 19 2.564 18.109 22.853 1.00 0.00 C ATOM 311 CG ASP A 19 3.430 17.085 23.560 1.00 0.00 C ATOM 312 OD1 ASP A 19 4.244 17.488 24.417 1.00 0.00 O ATOM 313 OD2 ASP A 19 3.294 15.881 23.256 1.00 0.00 O ATOM 0 H ASP A 19 1.585 19.744 21.290 1.00 0.00 H new ATOM 0 HA ASP A 19 3.774 19.874 23.048 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.844 18.521 23.559 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.993 17.616 22.066 1.00 0.00 H new ATOM 318 N ASP A 20 4.323 18.344 20.200 1.00 0.00 N ATOM 319 CA ASP A 20 5.365 17.790 19.344 1.00 0.00 C ATOM 320 C ASP A 20 6.226 18.900 18.747 1.00 0.00 C ATOM 321 O ASP A 20 6.369 19.000 17.529 1.00 0.00 O ATOM 322 CB ASP A 20 4.744 16.953 18.225 1.00 0.00 C ATOM 323 CG ASP A 20 4.431 15.536 18.667 1.00 0.00 C ATOM 324 OD1 ASP A 20 5.344 14.686 18.622 1.00 0.00 O ATOM 325 OD2 ASP A 20 3.273 15.278 19.057 1.00 0.00 O ATOM 0 H ASP A 20 3.415 18.446 19.747 1.00 0.00 H new ATOM 0 HA ASP A 20 6.001 17.150 19.956 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.828 17.434 17.881 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.427 16.923 17.376 1.00 0.00 H new ATOM 330 N ILE A 21 6.795 19.730 19.614 1.00 0.00 N ATOM 331 CA ILE A 21 7.641 20.832 19.173 1.00 0.00 C ATOM 332 C ILE A 21 8.987 20.813 19.890 1.00 0.00 C ATOM 333 O ILE A 21 9.061 20.522 21.084 1.00 0.00 O ATOM 334 CB ILE A 21 6.963 22.194 19.414 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.682 22.303 18.585 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.918 23.328 19.075 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.852 23.524 18.915 1.00 0.00 C ATOM 0 H ILE A 21 6.686 19.661 20.626 1.00 0.00 H new ATOM 0 HA ILE A 21 7.800 20.699 18.103 1.00 0.00 H new ATOM 0 HB ILE A 21 6.699 22.271 20.469 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.944 22.327 17.527 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.079 21.409 18.744 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.425 24.284 19.250 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.805 23.257 19.704 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.210 23.257 18.027 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.959 23.537 18.290 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.560 23.492 19.965 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.438 24.424 18.729 1.00 0.00 H new ATOM 349 N ILE A 22 10.048 21.126 19.154 1.00 0.00 N ATOM 350 CA ILE A 22 11.391 21.148 19.720 1.00 0.00 C ATOM 351 C ILE A 22 12.126 22.429 19.342 1.00 0.00 C ATOM 352 O ILE A 22 11.570 23.302 18.674 1.00 0.00 O ATOM 353 CB ILE A 22 12.218 19.936 19.253 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.214 19.847 17.725 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.674 18.655 19.865 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.309 18.965 17.168 1.00 0.00 C ATOM 0 H ILE A 22 10.004 21.368 18.164 1.00 0.00 H new ATOM 0 HA ILE A 22 11.278 21.104 20.803 1.00 0.00 H new ATOM 0 HB ILE A 22 13.247 20.066 19.588 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.248 19.466 17.394 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.320 20.850 17.311 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.270 17.808 19.525 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.724 18.721 20.952 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.637 18.517 19.558 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.245 18.949 16.080 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.280 19.357 17.469 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.192 17.952 17.553 1.00 0.00 H new ATOM 368 N ILE A 23 13.379 22.534 19.771 1.00 0.00 N ATOM 369 CA ILE A 23 14.192 23.707 19.474 1.00 0.00 C ATOM 370 C ILE A 23 14.602 23.735 18.006 1.00 0.00 C ATOM 371 O ILE A 23 14.864 24.798 17.443 1.00 0.00 O ATOM 372 CB ILE A 23 15.459 23.750 20.350 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.080 23.880 21.827 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.357 24.902 19.925 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.802 22.553 22.498 1.00 0.00 C ATOM 0 H ILE A 23 13.853 21.821 20.325 1.00 0.00 H new ATOM 0 HA ILE A 23 13.578 24.580 19.694 1.00 0.00 H new ATOM 0 HB ILE A 23 16.008 22.818 20.216 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.887 24.384 22.358 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.197 24.514 21.913 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.248 24.920 20.553 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.650 24.770 18.883 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.818 25.843 20.034 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.540 22.721 23.543 1.00 0.00 H new ATOM 0 HD12 ILE A 23 13.975 22.056 21.992 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.691 21.925 22.444 1.00 0.00 H new ATOM 387 N LYS A 24 14.653 22.559 17.389 1.00 0.00 N ATOM 388 CA LYS A 24 15.027 22.447 15.984 1.00 0.00 C ATOM 389 C LYS A 24 13.791 22.455 15.090 1.00 0.00 C ATOM 390 O LYS A 24 13.893 22.289 13.874 1.00 0.00 O ATOM 391 CB LYS A 24 15.831 21.166 15.750 1.00 0.00 C ATOM 392 CG LYS A 24 17.241 21.222 16.311 1.00 0.00 C ATOM 393 CD LYS A 24 17.307 20.642 17.714 1.00 0.00 C ATOM 394 CE LYS A 24 17.260 19.122 17.691 1.00 0.00 C ATOM 395 NZ LYS A 24 17.749 18.533 18.969 1.00 0.00 N ATOM 0 H LYS A 24 14.440 21.670 17.840 1.00 0.00 H new ATOM 0 HA LYS A 24 15.644 23.308 15.728 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.302 20.327 16.203 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.883 20.970 14.679 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.916 20.671 15.656 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.586 22.256 16.327 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.224 20.971 18.202 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.476 21.024 18.306 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.237 18.793 17.507 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.867 18.752 16.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.701 17.496 18.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.733 18.826 19.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.154 18.866 19.755 1.00 0.00 H new ATOM 409 N CYS A 25 12.627 22.651 15.699 1.00 0.00 N ATOM 410 CA CYS A 25 11.372 22.681 14.956 1.00 0.00 C ATOM 411 C CYS A 25 11.069 24.091 14.458 1.00 0.00 C ATOM 412 O CYS A 25 11.279 25.070 15.174 1.00 0.00 O ATOM 413 CB CYS A 25 10.224 22.180 15.834 1.00 0.00 C ATOM 414 SG CYS A 25 8.580 22.522 15.166 1.00 0.00 S ATOM 0 H CYS A 25 12.526 22.791 16.704 1.00 0.00 H new ATOM 0 HA CYS A 25 11.473 22.024 14.092 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.331 21.104 15.974 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.307 22.640 16.819 1.00 0.00 H new ATOM 0 HG CYS A 25 7.677 22.059 15.978 1.00 0.00 H new ATOM 420 N GLN A 26 10.577 24.184 13.227 1.00 0.00 N ATOM 421 CA GLN A 26 10.247 25.475 12.633 1.00 0.00 C ATOM 422 C GLN A 26 8.788 25.514 12.191 1.00 0.00 C ATOM 423 O GLN A 26 8.332 24.647 11.445 1.00 0.00 O ATOM 424 CB GLN A 26 11.162 25.759 11.440 1.00 0.00 C ATOM 425 CG GLN A 26 12.635 25.835 11.807 1.00 0.00 C ATOM 426 CD GLN A 26 13.523 26.101 10.608 1.00 0.00 C ATOM 427 OE1 GLN A 26 13.462 27.171 10.001 1.00 0.00 O ATOM 428 NE2 GLN A 26 14.354 25.126 10.258 1.00 0.00 N ATOM 0 H GLN A 26 10.398 23.383 12.622 1.00 0.00 H new ATOM 0 HA GLN A 26 10.398 26.245 13.390 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.022 24.979 10.692 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.862 26.700 10.979 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.781 26.624 12.545 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.937 24.899 12.277 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.371 24.255 10.789 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.975 25.248 9.458 1.00 0.00 H new ATOM 437 N CYS A 27 8.062 26.524 12.657 1.00 0.00 N ATOM 438 CA CYS A 27 6.653 26.676 12.310 1.00 0.00 C ATOM 439 C CYS A 27 6.362 28.092 11.825 1.00 0.00 C ATOM 440 O CYS A 27 7.278 28.886 11.613 1.00 0.00 O ATOM 441 CB CYS A 27 5.771 26.344 13.515 1.00 0.00 C ATOM 442 SG CYS A 27 5.961 27.486 14.905 1.00 0.00 S ATOM 0 H CYS A 27 8.425 27.249 13.275 1.00 0.00 H new ATOM 0 HA CYS A 27 6.426 25.981 11.501 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.728 26.343 13.199 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.002 25.334 13.854 1.00 0.00 H new ATOM 0 HG CYS A 27 5.174 27.125 15.874 1.00 0.00 H new ATOM 448 N TRP A 28 5.082 28.400 11.652 1.00 0.00 N ATOM 449 CA TRP A 28 4.670 29.721 11.190 1.00 0.00 C ATOM 450 C TRP A 28 3.827 30.429 12.246 1.00 0.00 C ATOM 451 O TRP A 28 2.960 29.820 12.872 1.00 0.00 O ATOM 452 CB TRP A 28 3.881 29.605 9.884 1.00 0.00 C ATOM 453 CG TRP A 28 4.734 29.247 8.705 1.00 0.00 C ATOM 454 CD1 TRP A 28 5.211 28.008 8.384 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.212 30.138 7.692 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.957 28.076 7.232 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.972 29.371 6.787 1.00 0.00 C ATOM 458 CE3 TRP A 28 5.071 31.509 7.459 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.588 29.931 5.671 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.683 32.063 6.351 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.433 31.276 5.468 1.00 0.00 C ATOM 0 H TRP A 28 4.312 27.754 11.824 1.00 0.00 H new ATOM 0 HA TRP A 28 5.568 30.312 11.012 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.103 28.851 10.003 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.379 30.552 9.686 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.029 27.108 8.952 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.424 27.289 6.781 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.494 32.124 8.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.168 29.326 4.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.581 33.122 6.163 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.898 31.739 4.610 1.00 0.00 H new ATOM 472 N VAL A 29 4.088 31.718 12.439 1.00 0.00 N ATOM 473 CA VAL A 29 3.353 32.508 13.418 1.00 0.00 C ATOM 474 C VAL A 29 2.564 33.624 12.743 1.00 0.00 C ATOM 475 O VAL A 29 3.019 34.214 11.764 1.00 0.00 O ATOM 476 CB VAL A 29 4.299 33.125 14.466 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.508 33.897 15.511 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.147 32.044 15.119 1.00 0.00 C ATOM 0 H VAL A 29 4.803 32.237 11.930 1.00 0.00 H new ATOM 0 HA VAL A 29 2.662 31.829 13.918 1.00 0.00 H new ATOM 0 HB VAL A 29 4.966 33.824 13.961 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.193 34.325 16.243 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.948 34.697 15.026 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.815 33.223 16.014 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.809 32.497 15.857 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.498 31.320 15.611 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.742 31.539 14.358 1.00 0.00 H new ATOM 488 N GLN A 30 1.379 33.908 13.274 1.00 0.00 N ATOM 489 CA GLN A 30 0.526 34.954 12.722 1.00 0.00 C ATOM 490 C GLN A 30 0.905 36.320 13.285 1.00 0.00 C ATOM 491 O GLN A 30 0.791 36.561 14.488 1.00 0.00 O ATOM 492 CB GLN A 30 -0.944 34.655 13.024 1.00 0.00 C ATOM 493 CG GLN A 30 -1.832 34.664 11.790 1.00 0.00 C ATOM 494 CD GLN A 30 -3.302 34.514 12.128 1.00 0.00 C ATOM 495 OE1 GLN A 30 -3.661 33.880 13.121 1.00 0.00 O ATOM 496 NE2 GLN A 30 -4.162 35.098 11.302 1.00 0.00 N ATOM 0 H GLN A 30 0.988 33.429 14.085 1.00 0.00 H new ATOM 0 HA GLN A 30 0.671 34.974 11.642 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.016 33.680 13.507 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.317 35.391 13.736 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.682 35.596 11.246 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.532 33.854 11.125 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.820 35.614 10.491 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.164 35.031 11.479 1.00 0.00 H new ATOM 505 N LYS A 31 1.356 37.211 12.409 1.00 0.00 N ATOM 506 CA LYS A 31 1.752 38.553 12.818 1.00 0.00 C ATOM 507 C LYS A 31 1.361 39.581 11.761 1.00 0.00 C ATOM 508 O LYS A 31 1.545 39.357 10.566 1.00 0.00 O ATOM 509 CB LYS A 31 3.261 38.610 13.066 1.00 0.00 C ATOM 510 CG LYS A 31 3.636 38.614 14.537 1.00 0.00 C ATOM 511 CD LYS A 31 3.072 39.830 15.253 1.00 0.00 C ATOM 512 CE LYS A 31 3.890 40.180 16.486 1.00 0.00 C ATOM 513 NZ LYS A 31 3.766 39.142 17.547 1.00 0.00 N ATOM 0 H LYS A 31 1.456 37.028 11.411 1.00 0.00 H new ATOM 0 HA LYS A 31 1.229 38.792 13.744 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.733 37.755 12.582 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.665 39.506 12.594 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.263 37.706 15.011 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.721 38.603 14.637 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.057 40.680 14.571 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.039 39.636 15.543 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.938 40.291 16.207 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.561 41.142 16.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.338 39.417 18.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.770 39.054 17.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.104 38.229 17.181 1.00 0.00 H new ATOM 527 N ASN A 32 0.821 40.710 12.210 1.00 0.00 N ATOM 528 CA ASN A 32 0.405 41.772 11.302 1.00 0.00 C ATOM 529 C ASN A 32 -0.538 41.234 10.230 1.00 0.00 C ATOM 530 O ASN A 32 -0.334 41.463 9.038 1.00 0.00 O ATOM 531 CB ASN A 32 1.627 42.417 10.645 1.00 0.00 C ATOM 532 CG ASN A 32 2.432 43.255 11.619 1.00 0.00 C ATOM 533 OD1 ASN A 32 3.617 43.003 11.840 1.00 0.00 O ATOM 534 ND2 ASN A 32 1.791 44.258 12.207 1.00 0.00 N ATOM 0 H ASN A 32 0.662 40.912 13.197 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.127 42.525 11.883 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.265 41.638 10.227 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.301 43.043 9.814 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.281 44.856 12.872 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.809 44.430 11.994 1.00 0.00 H new ATOM 541 N ASP A 33 -1.570 40.519 10.664 1.00 0.00 N ATOM 542 CA ASP A 33 -2.546 39.949 9.742 1.00 0.00 C ATOM 543 C ASP A 33 -1.854 39.140 8.650 1.00 0.00 C ATOM 544 O ASP A 33 -2.374 39.003 7.543 1.00 0.00 O ATOM 545 CB ASP A 33 -3.394 41.057 9.114 1.00 0.00 C ATOM 546 CG ASP A 33 -4.753 40.560 8.662 1.00 0.00 C ATOM 547 OD1 ASP A 33 -5.452 39.922 9.476 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.117 40.808 7.493 1.00 0.00 O ATOM 0 H ASP A 33 -1.752 40.320 11.648 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.196 39.281 10.307 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.527 41.863 9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.862 41.478 8.261 1.00 0.00 H new ATOM 553 N GLU A 34 -0.680 38.606 8.970 1.00 0.00 N ATOM 554 CA GLU A 34 0.084 37.812 8.014 1.00 0.00 C ATOM 555 C GLU A 34 0.731 36.612 8.699 1.00 0.00 C ATOM 556 O GLU A 34 0.575 36.413 9.903 1.00 0.00 O ATOM 557 CB GLU A 34 1.158 38.672 7.346 1.00 0.00 C ATOM 558 CG GLU A 34 0.597 39.712 6.390 1.00 0.00 C ATOM 559 CD GLU A 34 1.614 40.775 6.022 1.00 0.00 C ATOM 560 OE1 GLU A 34 2.674 40.416 5.467 1.00 0.00 O ATOM 561 OE2 GLU A 34 1.350 41.966 6.289 1.00 0.00 O ATOM 0 H GLU A 34 -0.237 38.708 9.883 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.604 37.447 7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.740 39.176 8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.845 38.023 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.250 39.217 5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.272 40.188 6.845 1.00 0.00 H new ATOM 568 N GLU A 35 1.458 35.815 7.921 1.00 0.00 N ATOM 569 CA GLU A 35 2.128 34.634 8.453 1.00 0.00 C ATOM 570 C GLU A 35 3.618 34.661 8.126 1.00 0.00 C ATOM 571 O GLU A 35 4.008 34.761 6.963 1.00 0.00 O ATOM 572 CB GLU A 35 1.493 33.362 7.886 1.00 0.00 C ATOM 573 CG GLU A 35 1.346 33.377 6.373 1.00 0.00 C ATOM 574 CD GLU A 35 -0.099 33.276 5.927 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.840 32.447 6.495 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.489 34.026 5.008 1.00 0.00 O ATOM 0 H GLU A 35 1.598 35.966 6.922 1.00 0.00 H new ATOM 0 HA GLU A 35 2.011 34.638 9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.099 32.503 8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.510 33.225 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.781 34.295 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.912 32.548 5.948 1.00 0.00 H new ATOM 583 N ARG A 36 4.446 34.571 9.162 1.00 0.00 N ATOM 584 CA ARG A 36 5.894 34.587 8.987 1.00 0.00 C ATOM 585 C ARG A 36 6.521 33.307 9.531 1.00 0.00 C ATOM 586 O ARG A 36 6.060 32.752 10.529 1.00 0.00 O ATOM 587 CB ARG A 36 6.501 35.803 9.688 1.00 0.00 C ATOM 588 CG ARG A 36 6.149 37.126 9.026 1.00 0.00 C ATOM 589 CD ARG A 36 4.876 37.719 9.608 1.00 0.00 C ATOM 590 NE ARG A 36 4.588 39.041 9.059 1.00 0.00 N ATOM 591 CZ ARG A 36 5.206 40.150 9.450 1.00 0.00 C ATOM 592 NH1 ARG A 36 6.142 40.096 10.388 1.00 0.00 N ATOM 593 NH2 ARG A 36 4.888 41.317 8.903 1.00 0.00 N ATOM 0 H ARG A 36 4.139 34.486 10.131 1.00 0.00 H new ATOM 0 HA ARG A 36 6.105 34.650 7.919 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.161 35.822 10.723 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.585 35.695 9.711 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.972 37.829 9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.024 36.976 7.954 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.039 37.051 9.404 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.971 37.789 10.692 1.00 0.00 H new ATOM 0 HE ARG A 36 3.873 39.117 8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.389 39.201 10.811 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.615 40.949 10.686 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.168 41.363 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.363 42.168 9.204 1.00 0.00 H new ATOM 607 N LEU A 37 7.575 32.842 8.868 1.00 0.00 N ATOM 608 CA LEU A 37 8.266 31.627 9.285 1.00 0.00 C ATOM 609 C LEU A 37 9.058 31.864 10.566 1.00 0.00 C ATOM 610 O LEU A 37 10.075 32.557 10.560 1.00 0.00 O ATOM 611 CB LEU A 37 9.201 31.143 8.175 1.00 0.00 C ATOM 612 CG LEU A 37 9.844 29.772 8.390 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.985 28.678 7.775 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.247 29.744 7.802 1.00 0.00 C ATOM 0 H LEU A 37 7.969 33.288 8.040 1.00 0.00 H new ATOM 0 HA LEU A 37 7.516 30.860 9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.640 31.117 7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.995 31.879 8.050 1.00 0.00 H new ATOM 0 HG LEU A 37 9.917 29.589 9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.458 27.709 7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.000 28.684 8.241 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.881 28.856 6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.690 28.761 7.964 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.197 29.948 6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.860 30.503 8.288 1.00 0.00 H new ATOM 626 N ALA A 38 8.587 31.281 11.664 1.00 0.00 N ATOM 627 CA ALA A 38 9.253 31.425 12.952 1.00 0.00 C ATOM 628 C ALA A 38 9.915 30.118 13.376 1.00 0.00 C ATOM 629 O ALA A 38 9.300 29.054 13.321 1.00 0.00 O ATOM 630 CB ALA A 38 8.262 31.885 14.011 1.00 0.00 C ATOM 0 H ALA A 38 7.746 30.704 11.687 1.00 0.00 H new ATOM 0 HA ALA A 38 10.032 32.180 12.848 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.774 31.988 14.968 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.839 32.847 13.720 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.462 31.150 14.105 1.00 0.00 H new ATOM 636 N GLU A 39 11.172 30.207 13.799 1.00 0.00 N ATOM 637 CA GLU A 39 11.917 29.030 14.231 1.00 0.00 C ATOM 638 C GLU A 39 11.934 28.925 15.753 1.00 0.00 C ATOM 639 O GLU A 39 12.280 29.882 16.448 1.00 0.00 O ATOM 640 CB GLU A 39 13.350 29.081 13.696 1.00 0.00 C ATOM 641 CG GLU A 39 14.256 28.010 14.280 1.00 0.00 C ATOM 642 CD GLU A 39 15.523 27.813 13.471 1.00 0.00 C ATOM 643 OE1 GLU A 39 16.195 28.820 13.166 1.00 0.00 O ATOM 644 OE2 GLU A 39 15.843 26.651 13.143 1.00 0.00 O ATOM 0 H GLU A 39 11.695 31.081 13.852 1.00 0.00 H new ATOM 0 HA GLU A 39 11.418 28.148 13.829 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.328 28.975 12.611 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.775 30.061 13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.521 28.281 15.302 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.712 27.067 14.331 1.00 0.00 H new ATOM 651 N ILE A 40 11.558 27.758 16.265 1.00 0.00 N ATOM 652 CA ILE A 40 11.530 27.528 17.704 1.00 0.00 C ATOM 653 C ILE A 40 12.928 27.628 18.303 1.00 0.00 C ATOM 654 O ILE A 40 13.908 27.190 17.699 1.00 0.00 O ATOM 655 CB ILE A 40 10.936 26.148 18.042 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.558 25.990 17.397 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.845 25.966 19.550 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.517 26.935 17.955 1.00 0.00 C ATOM 0 H ILE A 40 11.268 26.957 15.704 1.00 0.00 H new ATOM 0 HA ILE A 40 10.896 28.303 18.136 1.00 0.00 H new ATOM 0 HB ILE A 40 11.594 25.377 17.641 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.648 26.154 16.323 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.217 24.964 17.535 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.423 24.986 19.773 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.841 26.040 19.986 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.205 26.741 19.972 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.565 26.766 17.451 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.399 26.756 19.024 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.836 27.965 17.793 1.00 0.00 H new ATOM 670 N LEU A 41 13.014 28.205 19.497 1.00 0.00 N ATOM 671 CA LEU A 41 14.293 28.361 20.181 1.00 0.00 C ATOM 672 C LEU A 41 14.308 27.583 21.493 1.00 0.00 C ATOM 673 O LEU A 41 15.299 26.937 21.832 1.00 0.00 O ATOM 674 CB LEU A 41 14.574 29.841 20.449 1.00 0.00 C ATOM 675 CG LEU A 41 15.034 30.665 19.246 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.264 32.114 19.649 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.298 30.070 18.644 1.00 0.00 C ATOM 0 H LEU A 41 12.213 28.572 20.011 1.00 0.00 H new ATOM 0 HA LEU A 41 15.074 27.961 19.534 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.668 30.295 20.850 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.336 29.911 21.225 1.00 0.00 H new ATOM 0 HG LEU A 41 14.249 30.639 18.490 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.591 32.686 18.780 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.336 32.537 20.033 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.031 32.159 20.423 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.611 30.669 17.789 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.090 30.065 19.393 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.100 29.049 18.318 1.00 0.00 H new ATOM 689 N SER A 42 13.201 27.649 22.226 1.00 0.00 N ATOM 690 CA SER A 42 13.086 26.952 23.501 1.00 0.00 C ATOM 691 C SER A 42 11.626 26.658 23.831 1.00 0.00 C ATOM 692 O SER A 42 10.717 27.130 23.147 1.00 0.00 O ATOM 693 CB SER A 42 13.715 27.784 24.620 1.00 0.00 C ATOM 694 OG SER A 42 14.581 26.996 25.418 1.00 0.00 O ATOM 0 H SER A 42 12.371 28.178 21.958 1.00 0.00 H new ATOM 0 HA SER A 42 13.619 26.005 23.417 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.270 28.617 24.189 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.930 28.212 25.244 1.00 0.00 H new ATOM 0 HG SER A 42 14.971 27.552 26.124 1.00 0.00 H new ATOM 700 N ILE A 43 11.409 25.876 24.882 1.00 0.00 N ATOM 701 CA ILE A 43 10.060 25.519 25.304 1.00 0.00 C ATOM 702 C ILE A 43 9.852 25.809 26.786 1.00 0.00 C ATOM 703 O ILE A 43 10.760 25.630 27.597 1.00 0.00 O ATOM 704 CB ILE A 43 9.760 24.033 25.035 1.00 0.00 C ATOM 705 CG1 ILE A 43 10.004 23.699 23.562 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.329 23.701 25.430 1.00 0.00 C ATOM 707 CD1 ILE A 43 9.959 22.216 23.263 1.00 0.00 C ATOM 0 H ILE A 43 12.150 25.477 25.458 1.00 0.00 H new ATOM 0 HA ILE A 43 9.374 26.131 24.718 1.00 0.00 H new ATOM 0 HB ILE A 43 10.433 23.426 25.641 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.256 24.207 22.954 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.976 24.092 23.265 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.133 22.647 25.234 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.188 23.905 26.491 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.640 24.313 24.848 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.140 22.053 22.201 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.726 21.704 23.844 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.978 21.821 23.528 1.00 0.00 H new ATOM 719 N ASN A 44 8.649 26.254 27.134 1.00 0.00 N ATOM 720 CA ASN A 44 8.321 26.567 28.520 1.00 0.00 C ATOM 721 C ASN A 44 6.906 26.110 28.861 1.00 0.00 C ATOM 722 O ASN A 44 5.930 26.798 28.562 1.00 0.00 O ATOM 723 CB ASN A 44 8.458 28.070 28.772 1.00 0.00 C ATOM 724 CG ASN A 44 7.980 28.471 30.154 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.036 27.681 31.096 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.505 29.705 30.281 1.00 0.00 N ATOM 0 H ASN A 44 7.885 26.406 26.475 1.00 0.00 H new ATOM 0 HA ASN A 44 9.021 26.032 29.162 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.501 28.362 28.653 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.887 28.615 28.021 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.168 30.031 31.187 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.477 30.327 29.473 1.00 0.00 H new ATOM 733 N THR A 45 6.802 24.943 29.490 1.00 0.00 N ATOM 734 CA THR A 45 5.508 24.393 29.872 1.00 0.00 C ATOM 735 C THR A 45 5.212 24.653 31.344 1.00 0.00 C ATOM 736 O THR A 45 4.816 23.746 32.077 1.00 0.00 O ATOM 737 CB THR A 45 5.441 22.878 29.605 1.00 0.00 C ATOM 738 OG1 THR A 45 6.581 22.229 30.178 1.00 0.00 O ATOM 739 CG2 THR A 45 5.386 22.593 28.112 1.00 0.00 C ATOM 0 H THR A 45 7.599 24.361 29.746 1.00 0.00 H new ATOM 0 HA THR A 45 4.758 24.895 29.261 1.00 0.00 H new ATOM 0 HB THR A 45 4.533 22.490 30.066 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.530 21.266 30.005 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.339 21.516 27.949 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.501 23.064 27.684 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.278 22.994 27.632 1.00 0.00 H new ATOM 747 N ARG A 46 5.408 25.896 31.772 1.00 0.00 N ATOM 748 CA ARG A 46 5.162 26.273 33.159 1.00 0.00 C ATOM 749 C ARG A 46 3.799 26.942 33.307 1.00 0.00 C ATOM 750 O ARG A 46 3.467 27.473 34.368 1.00 0.00 O ATOM 751 CB ARG A 46 6.261 27.215 33.655 1.00 0.00 C ATOM 752 CG ARG A 46 6.091 28.651 33.185 1.00 0.00 C ATOM 753 CD ARG A 46 7.229 29.534 33.670 1.00 0.00 C ATOM 754 NE ARG A 46 7.086 30.913 33.211 1.00 0.00 N ATOM 755 CZ ARG A 46 7.795 31.927 33.695 1.00 0.00 C ATOM 756 NH1 ARG A 46 8.694 31.716 34.647 1.00 0.00 N ATOM 757 NH2 ARG A 46 7.608 33.154 33.226 1.00 0.00 N ATOM 0 H ARG A 46 5.736 26.658 31.179 1.00 0.00 H new ATOM 0 HA ARG A 46 5.169 25.366 33.763 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.278 27.198 34.745 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.227 26.843 33.315 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.048 28.676 32.096 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.142 29.045 33.550 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.263 29.516 34.759 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.177 29.130 33.315 1.00 0.00 H new ATOM 0 HE ARG A 46 6.404 31.109 32.478 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.842 30.774 35.009 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.237 32.496 35.017 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.919 33.320 32.493 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.153 33.931 33.599 1.00 0.00 H new ATOM 771 N LYS A 47 3.012 26.913 32.237 1.00 0.00 N ATOM 772 CA LYS A 47 1.684 27.516 32.246 1.00 0.00 C ATOM 773 C LYS A 47 0.683 26.636 31.504 1.00 0.00 C ATOM 774 O LYS A 47 1.043 25.593 30.960 1.00 0.00 O ATOM 775 CB LYS A 47 1.728 28.906 31.609 1.00 0.00 C ATOM 776 CG LYS A 47 0.839 29.922 32.305 1.00 0.00 C ATOM 777 CD LYS A 47 1.390 31.332 32.169 1.00 0.00 C ATOM 778 CE LYS A 47 0.571 32.330 32.973 1.00 0.00 C ATOM 779 NZ LYS A 47 1.014 32.396 34.393 1.00 0.00 N ATOM 0 H LYS A 47 3.271 26.478 31.352 1.00 0.00 H new ATOM 0 HA LYS A 47 1.361 27.609 33.283 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.756 29.268 31.618 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.427 28.828 30.564 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.164 29.880 31.881 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.750 29.666 33.361 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.426 31.353 32.507 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.392 31.623 31.119 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.656 33.318 32.520 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.482 32.051 32.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.431 33.087 34.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.909 31.460 34.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.012 32.687 34.432 1.00 0.00 H new ATOM 793 N ALA A 48 -0.575 27.065 31.486 1.00 0.00 N ATOM 794 CA ALA A 48 -1.627 26.319 30.807 1.00 0.00 C ATOM 795 C ALA A 48 -2.583 27.257 30.078 1.00 0.00 C ATOM 796 O ALA A 48 -3.361 27.989 30.690 1.00 0.00 O ATOM 797 CB ALA A 48 -2.388 25.457 31.803 1.00 0.00 C ATOM 0 H ALA A 48 -0.890 27.925 31.934 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.159 25.672 30.065 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.171 24.905 31.283 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.701 24.755 32.275 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.838 26.093 32.565 1.00 0.00 H new ATOM 803 N PRO A 49 -2.524 27.237 28.738 1.00 0.00 N ATOM 804 CA PRO A 49 -1.602 26.370 27.998 1.00 0.00 C ATOM 805 C PRO A 49 -0.148 26.805 28.153 1.00 0.00 C ATOM 806 O PRO A 49 0.149 27.904 28.621 1.00 0.00 O ATOM 807 CB PRO A 49 -2.056 26.527 26.545 1.00 0.00 C ATOM 808 CG PRO A 49 -2.713 27.863 26.496 1.00 0.00 C ATOM 809 CD PRO A 49 -3.354 28.059 27.842 1.00 0.00 C ATOM 0 HA PRO A 49 -1.631 25.342 28.358 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.211 26.476 25.858 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.748 25.735 26.259 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.985 28.648 26.292 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.457 27.903 25.700 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.350 29.107 28.140 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.393 27.731 27.844 1.00 0.00 H new ATOM 817 N PRO A 50 0.780 25.924 27.750 1.00 0.00 N ATOM 818 CA PRO A 50 2.218 26.196 27.833 1.00 0.00 C ATOM 819 C PRO A 50 2.663 27.266 26.843 1.00 0.00 C ATOM 820 O PRO A 50 1.935 27.606 25.910 1.00 0.00 O ATOM 821 CB PRO A 50 2.854 24.848 27.486 1.00 0.00 C ATOM 822 CG PRO A 50 1.832 24.149 26.656 1.00 0.00 C ATOM 823 CD PRO A 50 0.496 24.595 27.183 1.00 0.00 C ATOM 0 HA PRO A 50 2.505 26.579 28.812 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.787 24.980 26.937 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.091 24.279 28.385 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.942 24.407 25.603 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.940 23.067 26.733 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.251 24.647 26.391 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.113 23.909 27.939 1.00 0.00 H new ATOM 831 N LYS A 51 3.864 27.795 27.052 1.00 0.00 N ATOM 832 CA LYS A 51 4.409 28.826 26.177 1.00 0.00 C ATOM 833 C LYS A 51 5.626 28.308 25.416 1.00 0.00 C ATOM 834 O LYS A 51 6.247 27.323 25.816 1.00 0.00 O ATOM 835 CB LYS A 51 4.793 30.064 26.991 1.00 0.00 C ATOM 836 CG LYS A 51 3.603 30.915 27.401 1.00 0.00 C ATOM 837 CD LYS A 51 4.045 32.192 28.096 1.00 0.00 C ATOM 838 CE LYS A 51 2.990 33.282 27.980 1.00 0.00 C ATOM 839 NZ LYS A 51 1.829 33.027 28.877 1.00 0.00 N ATOM 0 H LYS A 51 4.479 27.526 27.820 1.00 0.00 H new ATOM 0 HA LYS A 51 3.639 29.097 25.454 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.329 29.748 27.886 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.481 30.674 26.406 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.012 31.165 26.520 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.957 30.342 28.066 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.243 31.986 29.148 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.980 32.541 27.658 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.435 34.246 28.227 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.645 33.345 26.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.038 33.645 28.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.536 32.033 28.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.101 33.225 29.861 1.00 0.00 H new ATOM 853 N PHE A 52 5.962 28.978 24.319 1.00 0.00 N ATOM 854 CA PHE A 52 7.105 28.585 23.503 1.00 0.00 C ATOM 855 C PHE A 52 7.869 29.810 23.011 1.00 0.00 C ATOM 856 O PHE A 52 7.294 30.885 22.835 1.00 0.00 O ATOM 857 CB PHE A 52 6.642 27.746 22.310 1.00 0.00 C ATOM 858 CG PHE A 52 5.860 26.525 22.703 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.521 26.624 23.044 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.464 25.279 22.732 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.798 25.503 23.406 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.747 24.154 23.092 1.00 0.00 C ATOM 863 CZ PHE A 52 4.412 24.266 23.431 1.00 0.00 C ATOM 0 H PHE A 52 5.459 29.796 23.974 1.00 0.00 H new ATOM 0 HA PHE A 52 7.773 27.987 24.122 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.028 28.366 21.656 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.514 27.439 21.732 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.036 27.589 23.027 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.508 25.186 22.470 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.754 25.594 23.669 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.230 23.188 23.108 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.850 23.388 23.715 1.00 0.00 H new ATOM 873 N TYR A 53 9.168 29.641 22.793 1.00 0.00 N ATOM 874 CA TYR A 53 10.013 30.733 22.324 1.00 0.00 C ATOM 875 C TYR A 53 10.249 30.634 20.820 1.00 0.00 C ATOM 876 O TYR A 53 10.845 29.671 20.336 1.00 0.00 O ATOM 877 CB TYR A 53 11.352 30.723 23.064 1.00 0.00 C ATOM 878 CG TYR A 53 12.004 32.084 23.154 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.288 33.192 23.590 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.337 32.263 22.802 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.879 34.438 23.674 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.936 33.505 22.884 1.00 0.00 C ATOM 883 CZ TYR A 53 13.204 34.589 23.320 1.00 0.00 C ATOM 884 OH TYR A 53 13.797 35.828 23.402 1.00 0.00 O ATOM 0 H TYR A 53 9.659 28.758 22.933 1.00 0.00 H new ATOM 0 HA TYR A 53 9.498 31.671 22.530 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.198 30.336 24.071 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.032 30.036 22.559 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.251 33.077 23.868 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.914 31.417 22.459 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.307 35.289 24.015 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.973 33.626 22.608 1.00 0.00 H new ATOM 0 HH TYR A 53 14.580 35.856 22.813 1.00 0.00 H new ATOM 894 N VAL A 54 9.777 31.636 20.086 1.00 0.00 N ATOM 895 CA VAL A 54 9.936 31.664 18.637 1.00 0.00 C ATOM 896 C VAL A 54 10.845 32.810 18.207 1.00 0.00 C ATOM 897 O VAL A 54 10.955 33.823 18.898 1.00 0.00 O ATOM 898 CB VAL A 54 8.578 31.805 17.925 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.773 30.521 18.052 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.803 32.988 18.487 1.00 0.00 C ATOM 0 H VAL A 54 9.281 32.440 20.471 1.00 0.00 H new ATOM 0 HA VAL A 54 10.390 30.716 18.350 1.00 0.00 H new ATOM 0 HB VAL A 54 8.759 31.988 16.866 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.817 30.639 17.543 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.326 29.698 17.599 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.599 30.304 19.106 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.846 33.073 17.973 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.630 32.837 19.553 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.377 33.903 18.339 1.00 0.00 H new ATOM 910 N HIS A 55 11.495 32.643 17.059 1.00 0.00 N ATOM 911 CA HIS A 55 12.394 33.665 16.534 1.00 0.00 C ATOM 912 C HIS A 55 12.192 33.847 15.033 1.00 0.00 C ATOM 913 O HIS A 55 12.333 32.901 14.258 1.00 0.00 O ATOM 914 CB HIS A 55 13.848 33.291 16.823 1.00 0.00 C ATOM 915 CG HIS A 55 14.831 33.963 15.914 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.757 35.299 15.581 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.917 33.476 15.269 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.753 35.604 14.769 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.472 34.515 14.564 1.00 0.00 N ATOM 0 H HIS A 55 11.416 31.810 16.475 1.00 0.00 H new ATOM 0 HA HIS A 55 12.163 34.607 17.031 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.083 33.551 17.855 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.962 32.211 16.733 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.279 32.459 15.303 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.947 36.578 14.345 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.304 34.456 13.977 1.00 0.00 H new ATOM 927 N TYR A 56 11.861 35.069 14.630 1.00 0.00 N ATOM 928 CA TYR A 56 11.636 35.375 13.222 1.00 0.00 C ATOM 929 C TYR A 56 12.945 35.330 12.440 1.00 0.00 C ATOM 930 O TYR A 56 13.792 36.214 12.572 1.00 0.00 O ATOM 931 CB TYR A 56 10.988 36.752 13.075 1.00 0.00 C ATOM 932 CG TYR A 56 9.684 36.892 13.829 1.00 0.00 C ATOM 933 CD1 TYR A 56 9.669 37.265 15.167 1.00 0.00 C ATOM 934 CD2 TYR A 56 8.468 36.651 13.202 1.00 0.00 C ATOM 935 CE1 TYR A 56 8.480 37.392 15.859 1.00 0.00 C ATOM 936 CE2 TYR A 56 7.274 36.778 13.886 1.00 0.00 C ATOM 937 CZ TYR A 56 7.286 37.148 15.214 1.00 0.00 C ATOM 938 OH TYR A 56 6.099 37.276 15.900 1.00 0.00 O ATOM 0 H TYR A 56 11.743 35.864 15.258 1.00 0.00 H new ATOM 0 HA TYR A 56 10.964 34.620 12.815 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.685 37.512 13.428 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.810 36.949 12.018 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.602 37.459 15.675 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.456 36.359 12.162 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.486 37.681 16.900 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.337 36.589 13.383 1.00 0.00 H new ATOM 0 HH TYR A 56 6.197 37.956 16.599 1.00 0.00 H new ATOM 948 N VAL A 57 13.102 34.294 11.622 1.00 0.00 N ATOM 949 CA VAL A 57 14.306 34.133 10.815 1.00 0.00 C ATOM 950 C VAL A 57 14.487 35.305 9.858 1.00 0.00 C ATOM 951 O VAL A 57 15.604 35.768 9.631 1.00 0.00 O ATOM 952 CB VAL A 57 14.268 32.824 10.005 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.530 32.676 9.169 1.00 0.00 C ATOM 954 CG2 VAL A 57 14.088 31.630 10.930 1.00 0.00 C ATOM 0 H VAL A 57 12.411 33.554 11.501 1.00 0.00 H new ATOM 0 HA VAL A 57 15.148 34.099 11.506 1.00 0.00 H new ATOM 0 HB VAL A 57 13.415 32.861 9.328 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.485 31.745 8.604 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.610 33.516 8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.401 32.661 9.824 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.063 30.714 10.340 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.919 31.586 11.634 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.152 31.733 11.479 1.00 0.00 H new ATOM 964 N ASN A 58 13.379 35.782 9.299 1.00 0.00 N ATOM 965 CA ASN A 58 13.415 36.902 8.365 1.00 0.00 C ATOM 966 C ASN A 58 13.913 38.169 9.054 1.00 0.00 C ATOM 967 O ASN A 58 14.371 39.105 8.399 1.00 0.00 O ATOM 968 CB ASN A 58 12.026 37.142 7.771 1.00 0.00 C ATOM 969 CG ASN A 58 11.737 36.236 6.590 1.00 0.00 C ATOM 970 OD1 ASN A 58 11.365 36.702 5.513 1.00 0.00 O ATOM 971 ND2 ASN A 58 11.909 34.934 6.788 1.00 0.00 N ATOM 0 H ASN A 58 12.446 35.411 9.476 1.00 0.00 H new ATOM 0 HA ASN A 58 14.108 36.651 7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.272 36.981 8.541 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.943 38.182 7.456 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.731 34.275 6.030 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.219 34.593 7.698 1.00 0.00 H new ATOM 978 N TYR A 59 13.819 38.191 10.379 1.00 0.00 N ATOM 979 CA TYR A 59 14.258 39.343 11.157 1.00 0.00 C ATOM 980 C TYR A 59 15.417 38.971 12.077 1.00 0.00 C ATOM 981 O TYR A 59 15.926 37.852 12.030 1.00 0.00 O ATOM 982 CB TYR A 59 13.096 39.900 11.982 1.00 0.00 C ATOM 983 CG TYR A 59 11.970 40.458 11.142 1.00 0.00 C ATOM 984 CD1 TYR A 59 12.130 41.638 10.426 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.745 39.805 11.064 1.00 0.00 C ATOM 986 CE1 TYR A 59 11.103 42.152 9.658 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.714 40.312 10.298 1.00 0.00 C ATOM 988 CZ TYR A 59 9.897 41.485 9.597 1.00 0.00 C ATOM 989 OH TYR A 59 8.872 41.994 8.832 1.00 0.00 O ATOM 0 H TYR A 59 13.443 37.424 10.936 1.00 0.00 H new ATOM 0 HA TYR A 59 14.602 40.109 10.462 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.704 39.109 12.621 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.471 40.685 12.639 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.073 42.162 10.471 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.597 38.886 11.612 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.244 43.071 9.108 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.769 39.792 10.248 1.00 0.00 H new ATOM 0 HH TYR A 59 8.092 41.404 8.896 1.00 0.00 H new ATOM 999 N ASN A 60 15.828 39.918 12.913 1.00 0.00 N ATOM 1000 CA ASN A 60 16.927 39.691 13.845 1.00 0.00 C ATOM 1001 C ASN A 60 16.451 38.915 15.069 1.00 0.00 C ATOM 1002 O ASN A 60 15.255 38.680 15.243 1.00 0.00 O ATOM 1003 CB ASN A 60 17.539 41.024 14.278 1.00 0.00 C ATOM 1004 CG ASN A 60 18.615 41.504 13.324 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.808 41.404 13.614 1.00 0.00 O ATOM 1006 ND2 ASN A 60 18.198 42.029 12.178 1.00 0.00 N ATOM 0 H ASN A 60 15.417 40.850 12.965 1.00 0.00 H new ATOM 0 HA ASN A 60 17.687 39.099 13.335 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.753 41.777 14.344 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.963 40.918 15.276 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.876 42.369 11.496 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.200 42.092 11.979 1.00 0.00 H new ATOM 1013 N LYS A 61 17.395 38.519 15.916 1.00 0.00 N ATOM 1014 CA LYS A 61 17.074 37.771 17.125 1.00 0.00 C ATOM 1015 C LYS A 61 16.424 38.675 18.168 1.00 0.00 C ATOM 1016 O LYS A 61 15.919 38.202 19.185 1.00 0.00 O ATOM 1017 CB LYS A 61 18.338 37.133 17.706 1.00 0.00 C ATOM 1018 CG LYS A 61 18.861 35.965 16.887 1.00 0.00 C ATOM 1019 CD LYS A 61 19.616 36.440 15.657 1.00 0.00 C ATOM 1020 CE LYS A 61 20.448 35.322 15.048 1.00 0.00 C ATOM 1021 NZ LYS A 61 20.679 35.533 13.592 1.00 0.00 N ATOM 0 H LYS A 61 18.390 38.704 15.787 1.00 0.00 H new ATOM 0 HA LYS A 61 16.367 36.985 16.858 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.117 37.892 17.780 1.00 0.00 H new ATOM 0 HB3 LYS A 61 18.129 36.791 18.720 1.00 0.00 H new ATOM 0 HG2 LYS A 61 19.518 35.352 17.504 1.00 0.00 H new ATOM 0 HG3 LYS A 61 18.028 35.332 16.582 1.00 0.00 H new ATOM 0 HD2 LYS A 61 18.909 36.814 14.916 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.265 37.273 15.926 1.00 0.00 H new ATOM 0 HE2 LYS A 61 21.407 35.261 15.563 1.00 0.00 H new ATOM 0 HE3 LYS A 61 19.943 34.368 15.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 21.250 34.750 13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 19.765 35.566 13.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 21.184 36.431 13.447 1.00 0.00 H new ATOM 1035 N ARG A 62 16.439 39.978 17.906 1.00 0.00 N ATOM 1036 CA ARG A 62 15.850 40.948 18.821 1.00 0.00 C ATOM 1037 C ARG A 62 14.333 40.994 18.664 1.00 0.00 C ATOM 1038 O ARG A 62 13.646 41.730 19.373 1.00 0.00 O ATOM 1039 CB ARG A 62 16.441 42.338 18.575 1.00 0.00 C ATOM 1040 CG ARG A 62 16.314 42.808 17.136 1.00 0.00 C ATOM 1041 CD ARG A 62 16.198 44.322 17.052 1.00 0.00 C ATOM 1042 NE ARG A 62 14.860 44.788 17.404 1.00 0.00 N ATOM 1043 CZ ARG A 62 14.455 46.044 17.250 1.00 0.00 C ATOM 1044 NH1 ARG A 62 15.282 46.954 16.752 1.00 0.00 N ATOM 1045 NH2 ARG A 62 13.222 46.392 17.593 1.00 0.00 N ATOM 0 H ARG A 62 16.853 40.386 17.068 1.00 0.00 H new ATOM 0 HA ARG A 62 16.083 40.636 19.839 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.944 43.056 19.228 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.495 42.330 18.854 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.182 42.476 16.566 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.438 42.349 16.678 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.928 44.779 17.719 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.442 44.649 16.041 1.00 0.00 H new ATOM 0 HE ARG A 62 14.200 44.112 17.789 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.231 46.690 16.486 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.969 47.918 16.635 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.583 45.695 17.976 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.913 47.357 17.474 1.00 0.00 H new ATOM 1059 N LEU A 63 13.817 40.203 17.729 1.00 0.00 N ATOM 1060 CA LEU A 63 12.381 40.153 17.477 1.00 0.00 C ATOM 1061 C LEU A 63 11.752 38.938 18.151 1.00 0.00 C ATOM 1062 O LEU A 63 10.553 38.923 18.433 1.00 0.00 O ATOM 1063 CB LEU A 63 12.108 40.115 15.973 1.00 0.00 C ATOM 1064 CG LEU A 63 11.340 41.306 15.399 1.00 0.00 C ATOM 1065 CD1 LEU A 63 12.251 42.518 15.275 1.00 0.00 C ATOM 1066 CD2 LEU A 63 10.735 40.951 14.049 1.00 0.00 C ATOM 0 H LEU A 63 14.371 39.588 17.133 1.00 0.00 H new ATOM 0 HA LEU A 63 11.932 41.052 17.898 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.063 40.039 15.453 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.550 39.206 15.748 1.00 0.00 H new ATOM 0 HG LEU A 63 10.529 41.555 16.083 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.688 43.356 14.865 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.636 42.786 16.259 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.083 42.281 14.612 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.192 41.811 13.656 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.529 40.675 13.355 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.049 40.112 14.167 1.00 0.00 H new ATOM 1078 N ASP A 64 12.568 37.922 18.408 1.00 0.00 N ATOM 1079 CA ASP A 64 12.092 36.703 19.052 1.00 0.00 C ATOM 1080 C ASP A 64 11.320 37.027 20.327 1.00 0.00 C ATOM 1081 O ASP A 64 11.468 38.109 20.894 1.00 0.00 O ATOM 1082 CB ASP A 64 13.268 35.779 19.374 1.00 0.00 C ATOM 1083 CG ASP A 64 14.134 36.314 20.497 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.020 37.517 20.814 1.00 0.00 O ATOM 1085 OD2 ASP A 64 14.925 35.530 21.061 1.00 0.00 O ATOM 0 H ASP A 64 13.562 37.918 18.180 1.00 0.00 H new ATOM 0 HA ASP A 64 11.419 36.195 18.361 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.888 34.795 19.649 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.878 35.647 18.480 1.00 0.00 H new ATOM 1090 N GLU A 65 10.495 36.084 20.769 1.00 0.00 N ATOM 1091 CA GLU A 65 9.699 36.271 21.976 1.00 0.00 C ATOM 1092 C GLU A 65 8.977 34.982 22.357 1.00 0.00 C ATOM 1093 O GLU A 65 9.141 33.950 21.706 1.00 0.00 O ATOM 1094 CB GLU A 65 8.682 37.397 21.773 1.00 0.00 C ATOM 1095 CG GLU A 65 7.829 37.229 20.528 1.00 0.00 C ATOM 1096 CD GLU A 65 6.646 38.177 20.499 1.00 0.00 C ATOM 1097 OE1 GLU A 65 5.717 37.991 21.312 1.00 0.00 O ATOM 1098 OE2 GLU A 65 6.649 39.105 19.663 1.00 0.00 O ATOM 0 H GLU A 65 10.360 35.183 20.310 1.00 0.00 H new ATOM 0 HA GLU A 65 10.374 36.542 22.787 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.030 37.448 22.645 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.212 38.348 21.715 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.445 37.396 19.645 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.468 36.202 20.475 1.00 0.00 H new ATOM 1105 N TRP A 66 8.178 35.049 23.416 1.00 0.00 N ATOM 1106 CA TRP A 66 7.431 33.887 23.885 1.00 0.00 C ATOM 1107 C TRP A 66 5.983 33.944 23.412 1.00 0.00 C ATOM 1108 O TRP A 66 5.208 34.791 23.858 1.00 0.00 O ATOM 1109 CB TRP A 66 7.480 33.806 25.412 1.00 0.00 C ATOM 1110 CG TRP A 66 8.874 33.754 25.960 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.717 34.810 26.156 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.586 32.586 26.381 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.911 34.369 26.673 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.856 33.008 26.821 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.274 31.225 26.431 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.810 32.117 27.303 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.223 30.341 26.909 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.478 30.790 27.341 1.00 0.00 C ATOM 0 H TRP A 66 8.031 35.895 23.966 1.00 0.00 H new ATOM 0 HA TRP A 66 7.895 32.994 23.466 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.965 34.670 25.831 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.935 32.920 25.739 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.480 35.841 25.937 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.709 34.959 26.908 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.309 30.870 26.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.778 32.461 27.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 9.993 29.287 26.950 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.197 30.075 27.711 1.00 0.00 H new ATOM 1129 N ILE A 67 5.624 33.038 22.509 1.00 0.00 N ATOM 1130 CA ILE A 67 4.268 32.986 21.977 1.00 0.00 C ATOM 1131 C ILE A 67 3.496 31.804 22.556 1.00 0.00 C ATOM 1132 O ILE A 67 4.088 30.828 23.018 1.00 0.00 O ATOM 1133 CB ILE A 67 4.269 32.881 20.441 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.021 31.626 19.994 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.891 34.125 19.825 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.694 31.196 18.581 1.00 0.00 C ATOM 0 H ILE A 67 6.253 32.330 22.130 1.00 0.00 H new ATOM 0 HA ILE A 67 3.779 33.915 22.269 1.00 0.00 H new ATOM 0 HB ILE A 67 3.238 32.806 20.097 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.093 31.808 20.071 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.787 30.809 20.677 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.884 34.035 18.739 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.317 35.003 20.120 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.918 34.229 20.174 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.263 30.300 18.332 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.628 30.982 18.503 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.955 31.996 17.888 1.00 0.00 H new ATOM 1148 N THR A 68 2.170 31.899 22.526 1.00 0.00 N ATOM 1149 CA THR A 68 1.317 30.838 23.046 1.00 0.00 C ATOM 1150 C THR A 68 0.730 30.001 21.916 1.00 0.00 C ATOM 1151 O THR A 68 0.926 30.302 20.738 1.00 0.00 O ATOM 1152 CB THR A 68 0.167 31.409 23.898 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.200 32.708 23.418 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.571 31.500 25.362 1.00 0.00 C ATOM 0 H THR A 68 1.664 32.700 22.147 1.00 0.00 H new ATOM 0 HA THR A 68 1.945 30.206 23.674 1.00 0.00 H new ATOM 0 HB THR A 68 -0.686 30.736 23.814 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.933 33.063 23.963 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.257 31.906 25.943 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.822 30.506 25.733 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.438 32.153 25.460 1.00 0.00 H new ATOM 1162 N THR A 69 0.007 28.946 22.281 1.00 0.00 N ATOM 1163 CA THR A 69 -0.609 28.064 21.298 1.00 0.00 C ATOM 1164 C THR A 69 -1.483 28.849 20.326 1.00 0.00 C ATOM 1165 O THR A 69 -1.435 28.629 19.116 1.00 0.00 O ATOM 1166 CB THR A 69 -1.464 26.977 21.975 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.592 27.574 22.624 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.642 26.198 22.991 1.00 0.00 C ATOM 0 H THR A 69 -0.166 28.682 23.251 1.00 0.00 H new ATOM 0 HA THR A 69 0.203 27.587 20.749 1.00 0.00 H new ATOM 0 HB THR A 69 -1.811 26.287 21.206 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.131 26.876 23.051 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.267 25.436 23.457 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.200 25.721 22.489 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.269 26.879 23.756 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.280 29.766 20.863 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.164 30.586 20.043 1.00 0.00 C ATOM 1178 C ASP A 70 -2.361 31.478 19.102 1.00 0.00 C ATOM 1179 O ASP A 70 -2.901 32.031 18.144 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.069 31.443 20.930 1.00 0.00 C ATOM 1181 CG ASP A 70 -4.891 30.611 21.894 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.415 29.558 21.473 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -5.009 31.011 23.071 1.00 0.00 O ATOM 0 H ASP A 70 -2.332 29.960 21.863 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.783 29.920 19.442 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.458 32.148 21.493 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.737 32.031 20.301 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.069 31.613 19.382 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.192 32.440 18.562 1.00 0.00 C ATOM 1190 C ARG A 71 0.611 31.582 17.589 1.00 0.00 C ATOM 1191 O ARG A 71 1.589 32.043 17.000 1.00 0.00 O ATOM 1192 CB ARG A 71 0.758 33.248 19.449 1.00 0.00 C ATOM 1193 CG ARG A 71 0.059 34.312 20.278 1.00 0.00 C ATOM 1194 CD ARG A 71 0.999 35.457 20.622 1.00 0.00 C ATOM 1195 NE ARG A 71 0.378 36.424 21.523 1.00 0.00 N ATOM 1196 CZ ARG A 71 -0.495 37.343 21.126 1.00 0.00 C ATOM 1197 NH1 ARG A 71 -0.848 37.420 19.850 1.00 0.00 N ATOM 1198 NH2 ARG A 71 -1.017 38.188 22.006 1.00 0.00 N ATOM 0 H ARG A 71 -0.606 31.160 20.170 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.814 33.126 17.987 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.285 32.567 20.117 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.511 33.725 18.821 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.800 34.697 19.728 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.324 33.866 21.196 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.902 35.058 21.085 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.307 35.961 19.706 1.00 0.00 H new ATOM 0 HE ARG A 71 0.628 36.392 22.511 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.449 36.772 19.170 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.519 38.127 19.548 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.748 38.132 22.988 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.687 38.893 21.700 1.00 0.00 H new ATOM 1212 N ILE A 72 0.190 30.332 17.425 1.00 0.00 N ATOM 1213 CA ILE A 72 0.869 29.410 16.522 1.00 0.00 C ATOM 1214 C ILE A 72 -0.024 29.037 15.344 1.00 0.00 C ATOM 1215 O ILE A 72 -1.231 28.858 15.499 1.00 0.00 O ATOM 1216 CB ILE A 72 1.302 28.124 17.252 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.267 28.458 18.391 1.00 0.00 C ATOM 1218 CG2 ILE A 72 1.944 27.151 16.274 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.402 27.351 19.413 1.00 0.00 C ATOM 0 H ILE A 72 -0.617 29.935 17.905 1.00 0.00 H new ATOM 0 HA ILE A 72 1.756 29.925 16.153 1.00 0.00 H new ATOM 0 HB ILE A 72 0.418 27.650 17.678 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.249 28.676 17.972 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.926 29.364 18.892 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.245 26.247 16.804 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.227 26.893 15.494 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.821 27.615 15.822 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.102 27.657 20.191 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.429 27.148 19.860 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.773 26.449 18.926 1.00 0.00 H new ATOM 1231 N ASN A 73 0.580 28.919 14.166 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.160 28.565 12.960 1.00 0.00 C ATOM 1233 C ASN A 73 0.002 27.083 12.637 1.00 0.00 C ATOM 1234 O ASN A 73 1.055 26.651 12.165 1.00 0.00 O ATOM 1235 CB ASN A 73 0.315 29.411 11.777 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.768 29.609 10.735 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -1.820 28.971 10.788 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -0.515 30.497 9.781 1.00 0.00 N ATOM 0 H ASN A 73 1.579 29.063 14.021 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.216 28.766 13.141 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.648 30.383 12.140 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.177 28.931 11.314 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.206 30.674 9.052 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.371 31.003 9.777 1.00 0.00 H new ATOM 1245 N LEU A 74 -1.046 26.308 12.894 1.00 0.00 N ATOM 1246 CA LEU A 74 -1.021 24.874 12.631 1.00 0.00 C ATOM 1247 C LEU A 74 -1.620 24.561 11.263 1.00 0.00 C ATOM 1248 O LEU A 74 -2.089 23.449 11.020 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.787 24.122 13.720 1.00 0.00 C ATOM 1250 CG LEU A 74 -1.068 23.966 15.060 1.00 0.00 C ATOM 1251 CD1 LEU A 74 -2.072 23.766 16.185 1.00 0.00 C ATOM 1252 CD2 LEU A 74 -0.086 22.804 15.007 1.00 0.00 C ATOM 0 H LEU A 74 -1.924 26.649 13.285 1.00 0.00 H new ATOM 0 HA LEU A 74 0.019 24.547 12.636 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.731 24.638 13.895 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.032 23.129 13.344 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.508 24.880 15.258 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.542 23.657 17.131 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.735 24.629 16.238 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.660 22.868 15.993 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.417 22.708 15.969 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.624 21.883 14.785 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.654 22.988 14.228 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.598 25.547 10.374 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.136 25.376 9.029 1.00 0.00 C ATOM 1266 C ASP A 75 -1.018 25.114 8.026 1.00 0.00 C ATOM 1267 O ASP A 75 -1.241 24.517 6.973 1.00 0.00 O ATOM 1268 CB ASP A 75 -2.931 26.615 8.614 1.00 0.00 C ATOM 1269 CG ASP A 75 -4.402 26.505 8.967 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -4.715 26.394 10.171 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -5.238 26.529 8.040 1.00 0.00 O ATOM 0 H ASP A 75 -1.214 26.473 10.560 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.801 24.513 9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.508 27.494 9.101 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.829 26.766 7.539 1.00 0.00 H new ATOM 1276 N LYS A 76 0.187 25.566 8.359 1.00 0.00 N ATOM 1277 CA LYS A 76 1.341 25.381 7.488 1.00 0.00 C ATOM 1278 C LYS A 76 2.197 24.211 7.961 1.00 0.00 C ATOM 1279 O LYS A 76 2.336 23.977 9.161 1.00 0.00 O ATOM 1280 CB LYS A 76 2.184 26.658 7.445 1.00 0.00 C ATOM 1281 CG LYS A 76 1.780 27.617 6.338 1.00 0.00 C ATOM 1282 CD LYS A 76 0.879 28.723 6.859 1.00 0.00 C ATOM 1283 CE LYS A 76 1.006 29.986 6.022 1.00 0.00 C ATOM 1284 NZ LYS A 76 0.041 29.999 4.888 1.00 0.00 N ATOM 0 H LYS A 76 0.389 26.063 9.226 1.00 0.00 H new ATOM 0 HA LYS A 76 0.976 25.160 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.103 27.169 8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.232 26.387 7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.673 28.054 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.265 27.068 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.157 28.383 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.135 28.945 7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.837 30.858 6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.022 30.065 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.559 30.106 3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.492 29.106 4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.619 30.795 5.003 1.00 0.00 H new ATOM 1298 N GLU A 77 2.770 23.480 7.009 1.00 0.00 N ATOM 1299 CA GLU A 77 3.613 22.334 7.330 1.00 0.00 C ATOM 1300 C GLU A 77 4.695 22.720 8.336 1.00 0.00 C ATOM 1301 O GLU A 77 5.022 23.896 8.493 1.00 0.00 O ATOM 1302 CB GLU A 77 4.258 21.775 6.060 1.00 0.00 C ATOM 1303 CG GLU A 77 3.259 21.453 4.962 1.00 0.00 C ATOM 1304 CD GLU A 77 3.117 22.577 3.954 1.00 0.00 C ATOM 1305 OE1 GLU A 77 3.899 22.602 2.980 1.00 0.00 O ATOM 1306 OE2 GLU A 77 2.226 23.432 4.139 1.00 0.00 O ATOM 0 H GLU A 77 2.666 23.661 6.011 1.00 0.00 H new ATOM 0 HA GLU A 77 2.983 21.565 7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.981 22.497 5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.813 20.871 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.572 20.545 4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.287 21.247 5.410 1.00 0.00 H new ATOM 1313 N VAL A 78 5.247 21.719 9.014 1.00 0.00 N ATOM 1314 CA VAL A 78 6.292 21.951 10.004 1.00 0.00 C ATOM 1315 C VAL A 78 7.629 21.388 9.535 1.00 0.00 C ATOM 1316 O VAL A 78 7.688 20.305 8.952 1.00 0.00 O ATOM 1317 CB VAL A 78 5.930 21.320 11.362 1.00 0.00 C ATOM 1318 CG1 VAL A 78 7.070 21.495 12.353 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.644 21.925 11.904 1.00 0.00 C ATOM 0 H VAL A 78 4.988 20.740 8.896 1.00 0.00 H new ATOM 0 HA VAL A 78 6.378 23.031 10.125 1.00 0.00 H new ATOM 0 HB VAL A 78 5.769 20.252 11.215 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.796 21.043 13.306 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.966 21.010 11.966 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.266 22.557 12.498 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.403 21.468 12.864 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.775 22.999 12.036 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.831 21.742 11.201 1.00 0.00 H new ATOM 1329 N LEU A 79 8.700 22.130 9.793 1.00 0.00 N ATOM 1330 CA LEU A 79 10.038 21.704 9.397 1.00 0.00 C ATOM 1331 C LEU A 79 10.789 21.098 10.579 1.00 0.00 C ATOM 1332 O LEU A 79 10.848 21.688 11.658 1.00 0.00 O ATOM 1333 CB LEU A 79 10.825 22.888 8.832 1.00 0.00 C ATOM 1334 CG LEU A 79 11.062 22.877 7.322 1.00 0.00 C ATOM 1335 CD1 LEU A 79 12.055 21.789 6.945 1.00 0.00 C ATOM 1336 CD2 LEU A 79 9.748 22.684 6.577 1.00 0.00 C ATOM 0 H LEU A 79 8.668 23.029 10.274 1.00 0.00 H new ATOM 0 HA LEU A 79 9.936 20.941 8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.297 23.806 9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.793 22.926 9.331 1.00 0.00 H new ATOM 0 HG LEU A 79 11.483 23.840 7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.211 21.797 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.004 21.971 7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.663 20.818 7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.936 22.679 5.503 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.299 21.736 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.068 23.499 6.822 1.00 0.00 H new ATOM 1348 N TYR A 80 11.362 19.919 10.367 1.00 0.00 N ATOM 1349 CA TYR A 80 12.109 19.233 11.414 1.00 0.00 C ATOM 1350 C TYR A 80 13.572 19.060 11.017 1.00 0.00 C ATOM 1351 O TYR A 80 13.932 19.109 9.841 1.00 0.00 O ATOM 1352 CB TYR A 80 11.483 17.868 11.705 1.00 0.00 C ATOM 1353 CG TYR A 80 10.293 17.933 12.635 1.00 0.00 C ATOM 1354 CD1 TYR A 80 9.010 18.131 12.140 1.00 0.00 C ATOM 1355 CD2 TYR A 80 10.451 17.797 14.009 1.00 0.00 C ATOM 1356 CE1 TYR A 80 7.919 18.192 12.985 1.00 0.00 C ATOM 1357 CE2 TYR A 80 9.366 17.855 14.862 1.00 0.00 C ATOM 1358 CZ TYR A 80 8.102 18.053 14.345 1.00 0.00 C ATOM 1359 OH TYR A 80 7.019 18.113 15.192 1.00 0.00 O ATOM 0 H TYR A 80 11.323 19.418 9.479 1.00 0.00 H new ATOM 0 HA TYR A 80 12.067 19.845 12.315 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.174 17.412 10.765 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.240 17.216 12.142 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.863 18.239 11.076 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.439 17.643 14.417 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.929 18.348 12.583 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.506 17.746 15.927 1.00 0.00 H new ATOM 0 HH TYR A 80 7.270 18.589 16.011 1.00 0.00 H new ATOM 1369 N PRO A 81 14.436 18.853 12.021 1.00 0.00 N ATOM 1370 CA PRO A 81 15.874 18.668 11.803 1.00 0.00 C ATOM 1371 C PRO A 81 16.191 17.338 11.126 1.00 0.00 C ATOM 1372 O PRO A 81 15.341 16.450 11.050 1.00 0.00 O ATOM 1373 CB PRO A 81 16.455 18.698 13.219 1.00 0.00 C ATOM 1374 CG PRO A 81 15.331 18.270 14.098 1.00 0.00 C ATOM 1375 CD PRO A 81 14.077 18.783 13.448 1.00 0.00 C ATOM 0 HA PRO A 81 16.287 19.430 11.142 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.308 18.026 13.311 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.806 19.696 13.482 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.304 17.185 14.196 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.444 18.678 15.103 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.234 18.114 13.618 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.792 19.760 13.839 1.00 0.00 H new ATOM 1383 N LYS A 82 17.418 17.208 10.635 1.00 0.00 N ATOM 1384 CA LYS A 82 17.849 15.986 9.965 1.00 0.00 C ATOM 1385 C LYS A 82 18.902 15.254 10.791 1.00 0.00 C ATOM 1386 O LYS A 82 19.966 15.801 11.084 1.00 0.00 O ATOM 1387 CB LYS A 82 18.408 16.311 8.578 1.00 0.00 C ATOM 1388 CG LYS A 82 18.810 15.082 7.781 1.00 0.00 C ATOM 1389 CD LYS A 82 17.640 14.522 6.991 1.00 0.00 C ATOM 1390 CE LYS A 82 17.961 13.151 6.415 1.00 0.00 C ATOM 1391 NZ LYS A 82 18.267 12.159 7.482 1.00 0.00 N ATOM 0 H LYS A 82 18.133 17.934 10.688 1.00 0.00 H new ATOM 0 HA LYS A 82 16.981 15.335 9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.660 16.870 8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.275 16.962 8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.621 15.339 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.192 14.318 8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.765 14.451 7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.385 15.207 6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.116 12.799 5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 82 18.812 13.231 5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.098 11.198 7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.263 12.252 7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.654 12.333 8.304 1.00 0.00 H new ATOM 1405 N LEU A 83 18.599 14.016 11.163 1.00 0.00 N ATOM 1406 CA LEU A 83 19.520 13.208 11.955 1.00 0.00 C ATOM 1407 C LEU A 83 20.146 12.106 11.106 1.00 0.00 C ATOM 1408 O LEU A 83 19.554 11.650 10.127 1.00 0.00 O ATOM 1409 CB LEU A 83 18.792 12.595 13.153 1.00 0.00 C ATOM 1410 CG LEU A 83 18.694 13.473 14.400 1.00 0.00 C ATOM 1411 CD1 LEU A 83 18.041 14.805 14.065 1.00 0.00 C ATOM 1412 CD2 LEU A 83 17.919 12.758 15.497 1.00 0.00 C ATOM 0 H LEU A 83 17.723 13.549 10.929 1.00 0.00 H new ATOM 0 HA LEU A 83 20.316 13.859 12.317 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.782 12.328 12.841 1.00 0.00 H new ATOM 0 HB3 LEU A 83 19.298 11.668 13.424 1.00 0.00 H new ATOM 0 HG LEU A 83 19.703 13.667 14.764 1.00 0.00 H new ATOM 0 HD11 LEU A 83 17.980 15.417 14.965 1.00 0.00 H new ATOM 0 HD12 LEU A 83 18.637 15.323 13.314 1.00 0.00 H new ATOM 0 HD13 LEU A 83 17.038 14.631 13.676 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.859 13.398 16.377 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.913 12.532 15.144 1.00 0.00 H new ATOM 0 HD23 LEU A 83 18.429 11.830 15.757 1.00 0.00 H new ATOM 1424 N LYS A 84 21.344 11.680 11.489 1.00 0.00 N ATOM 1425 CA LYS A 84 22.050 10.628 10.766 1.00 0.00 C ATOM 1426 C LYS A 84 23.033 9.904 11.681 1.00 0.00 C ATOM 1427 O LYS A 84 23.454 10.443 12.704 1.00 0.00 O ATOM 1428 CB LYS A 84 22.793 11.216 9.565 1.00 0.00 C ATOM 1429 CG LYS A 84 23.059 10.207 8.461 1.00 0.00 C ATOM 1430 CD LYS A 84 23.918 10.802 7.358 1.00 0.00 C ATOM 1431 CE LYS A 84 24.343 9.744 6.351 1.00 0.00 C ATOM 1432 NZ LYS A 84 25.648 10.077 5.715 1.00 0.00 N ATOM 0 H LYS A 84 21.847 12.047 12.297 1.00 0.00 H new ATOM 0 HA LYS A 84 21.313 9.908 10.412 1.00 0.00 H new ATOM 0 HB2 LYS A 84 22.211 12.043 9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 84 23.743 11.631 9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 84 23.556 9.332 8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 84 22.112 9.866 8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 84 23.363 11.589 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 84 24.802 11.267 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 84 24.418 8.777 6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 84 23.578 9.647 5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 25.903 9.332 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 25.570 10.987 5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 26.384 10.144 6.447 1.00 0.00 H new ATOM 1446 N ALA A 85 23.396 8.683 11.304 1.00 0.00 N ATOM 1447 CA ALA A 85 24.332 7.888 12.089 1.00 0.00 C ATOM 1448 C ALA A 85 25.771 8.322 11.832 1.00 0.00 C ATOM 1449 O ALA A 85 26.464 7.747 10.992 1.00 0.00 O ATOM 1450 CB ALA A 85 24.161 6.409 11.775 1.00 0.00 C ATOM 0 H ALA A 85 23.056 8.223 10.460 1.00 0.00 H new ATOM 0 HA ALA A 85 24.114 8.052 13.144 1.00 0.00 H new ATOM 0 HB1 ALA A 85 24.866 5.827 12.368 1.00 0.00 H new ATOM 0 HB2 ALA A 85 23.144 6.101 12.016 1.00 0.00 H new ATOM 0 HB3 ALA A 85 24.350 6.238 10.715 1.00 0.00 H new ATOM 1456 N THR A 86 26.215 9.342 12.560 1.00 0.00 N ATOM 1457 CA THR A 86 27.571 9.855 12.409 1.00 0.00 C ATOM 1458 C THR A 86 28.272 9.962 13.759 1.00 0.00 C ATOM 1459 O THR A 86 27.940 10.821 14.575 1.00 0.00 O ATOM 1460 CB THR A 86 27.576 11.238 11.730 1.00 0.00 C ATOM 1461 OG1 THR A 86 26.459 11.352 10.842 1.00 0.00 O ATOM 1462 CG2 THR A 86 28.869 11.457 10.958 1.00 0.00 C ATOM 0 H THR A 86 25.655 9.829 13.260 1.00 0.00 H new ATOM 0 HA THR A 86 28.108 9.147 11.779 1.00 0.00 H new ATOM 0 HB THR A 86 27.501 12.000 12.506 1.00 0.00 H new ATOM 0 HG1 THR A 86 26.469 12.234 10.416 1.00 0.00 H new ATOM 0 HG21 THR A 86 28.850 12.440 10.487 1.00 0.00 H new ATOM 0 HG22 THR A 86 29.716 11.399 11.642 1.00 0.00 H new ATOM 0 HG23 THR A 86 28.969 10.689 10.191 1.00 0.00 H new ATOM 1470 N ASP A 87 29.242 9.083 13.987 1.00 0.00 N ATOM 1471 CA ASP A 87 29.992 9.080 15.238 1.00 0.00 C ATOM 1472 C ASP A 87 31.448 9.465 15.000 1.00 0.00 C ATOM 1473 O ASP A 87 32.337 9.057 15.746 1.00 0.00 O ATOM 1474 CB ASP A 87 29.916 7.702 15.898 1.00 0.00 C ATOM 1475 CG ASP A 87 28.653 7.521 16.717 1.00 0.00 C ATOM 1476 OD1 ASP A 87 27.647 8.196 16.414 1.00 0.00 O ATOM 1477 OD2 ASP A 87 28.671 6.702 17.660 1.00 0.00 O ATOM 0 H ASP A 87 29.527 8.364 13.322 1.00 0.00 H new ATOM 0 HA ASP A 87 29.545 9.819 15.904 1.00 0.00 H new ATOM 0 HB2 ASP A 87 29.960 6.931 15.129 1.00 0.00 H new ATOM 0 HB3 ASP A 87 30.785 7.562 16.540 1.00 0.00 H new ATOM 1482 N GLU A 88 31.684 10.252 13.955 1.00 0.00 N ATOM 1483 CA GLU A 88 33.034 10.689 13.618 1.00 0.00 C ATOM 1484 C GLU A 88 33.058 12.182 13.300 1.00 0.00 C ATOM 1485 O GLU A 88 32.012 12.809 13.134 1.00 0.00 O ATOM 1486 CB GLU A 88 33.569 9.894 12.425 1.00 0.00 C ATOM 1487 CG GLU A 88 33.740 8.412 12.709 1.00 0.00 C ATOM 1488 CD GLU A 88 33.893 7.589 11.445 1.00 0.00 C ATOM 1489 OE1 GLU A 88 34.107 8.187 10.370 1.00 0.00 O ATOM 1490 OE2 GLU A 88 33.799 6.347 11.531 1.00 0.00 O ATOM 0 H GLU A 88 30.959 10.600 13.328 1.00 0.00 H new ATOM 0 HA GLU A 88 33.674 10.508 14.482 1.00 0.00 H new ATOM 0 HB2 GLU A 88 32.889 10.018 11.582 1.00 0.00 H new ATOM 0 HB3 GLU A 88 34.530 10.311 12.123 1.00 0.00 H new ATOM 0 HG2 GLU A 88 34.616 8.266 13.341 1.00 0.00 H new ATOM 0 HG3 GLU A 88 32.878 8.052 13.270 1.00 0.00 H new ATOM 1497 N ASP A 89 34.259 12.743 13.219 1.00 0.00 N ATOM 1498 CA ASP A 89 34.422 14.162 12.921 1.00 0.00 C ATOM 1499 C ASP A 89 34.898 14.365 11.486 1.00 0.00 C ATOM 1500 O ASP A 89 34.242 15.042 10.693 1.00 0.00 O ATOM 1501 CB ASP A 89 35.413 14.799 13.896 1.00 0.00 C ATOM 1502 CG ASP A 89 35.765 16.223 13.514 1.00 0.00 C ATOM 1503 OD1 ASP A 89 34.941 17.126 13.767 1.00 0.00 O ATOM 1504 OD2 ASP A 89 36.866 16.435 12.963 1.00 0.00 O ATOM 0 H ASP A 89 35.134 12.237 13.355 1.00 0.00 H new ATOM 0 HA ASP A 89 33.452 14.646 13.034 1.00 0.00 H new ATOM 0 HB2 ASP A 89 34.988 14.789 14.900 1.00 0.00 H new ATOM 0 HB3 ASP A 89 36.323 14.199 13.929 1.00 0.00 H new TER 1509 ASP A 89