USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 NoAdj-H: A 201 ACD HO2 : A 201 ACD O2 : A 201 ACD C1 :(short bond) USER MOD Set 1.1: A 44 MET CE :methyl -140:sc= 0 (180deg=-1.11) USER MOD Set 1.2: A 99 HIS : no HE2:sc= 1.01 K(o=1,f=-4.9!) USER MOD Set 2.1: A 28 TYR OH : rot 14:sc= 1.27 USER MOD Set 2.2: A 42 THR OG1 : rot 92:sc= 1.29 USER MOD Set 3.1: A 6 SER OG : rot 86:sc= 1.27 USER MOD Set 3.2: A 71 GLN : amide:sc= 0.0121! C(o=1.3!,f=-8.9!) USER MOD Set 3.3: A 119 SER OG : rot 53:sc= 0.0699 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc=-0.00476 (180deg=-0.119) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc=-0.00124 USER MOD Single : A 8 THR OG1 : rot 44:sc= 0.532 USER MOD Single : A 12 GLN : amide:sc= 0.203 K(o=0.2,f=-8.4!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 83:sc= 0.601 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.292) USER MOD Single : A 33 LYS NZ :NH3+ -132:sc= -0.031 (180deg=-0.312) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 144:sc= -0.0606 USER MOD Single : A 46 TYR OH : rot -10:sc= 0.509 USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 1.23 (180deg=0.854) USER MOD Single : A 52 ASN : amide:sc= -0.798 K(o=-0.8,f=-2.2) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc=-0.00948 (180deg=-0.132) USER MOD Single : A 54 MET CE :methyl 163:sc= -1.49 (180deg=-1.79) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.518 K(o=0.52,f=-1.5) USER MOD Single : A 70 HIS : no HE2:sc= 0.447 K(o=0.45,f=-1.5) USER MOD Single : A 74 HIS : no HD1:sc= -1.77! C(o=-1.8!,f=-7!) USER MOD Single : A 83 THR OG1 : rot 86:sc= 0.915 USER MOD Single : A 87 LYS NZ :NH3+ 156:sc= 1.26 (180deg=1.11) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1.4) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.737 K(o=0.74,f=-7.7!) USER MOD Single : A 106 LYS NZ :NH3+ -177:sc= 1.11 (180deg=1.05) USER MOD Single : A 109 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.6!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0.142 X(o=0.14,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.856 K(o=0.86,f=-0.47) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 166:sc= -0.0284 (180deg=-0.222) USER MOD Single : A 122 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0499) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.930 10.135 -14.501 1.00 0.00 N ATOM 2 CA MET A 1 15.479 11.510 -14.440 1.00 0.00 C ATOM 3 C MET A 1 14.915 12.244 -13.232 1.00 0.00 C ATOM 4 O MET A 1 13.758 12.666 -13.245 1.00 0.00 O ATOM 5 CB MET A 1 15.147 12.283 -15.722 1.00 0.00 C ATOM 6 CG MET A 1 15.735 11.668 -16.982 1.00 0.00 C ATOM 7 SD MET A 1 15.391 12.643 -18.459 1.00 0.00 S ATOM 8 CE MET A 1 16.108 11.603 -19.732 1.00 0.00 C ATOM 0 H1 MET A 1 15.443 9.588 -15.222 1.00 0.00 H new ATOM 0 H2 MET A 1 15.040 9.676 -13.574 1.00 0.00 H new ATOM 0 H3 MET A 1 13.921 10.175 -14.750 1.00 0.00 H new ATOM 0 HA MET A 1 16.563 11.444 -14.346 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.064 12.341 -15.829 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.513 13.305 -15.623 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.814 11.566 -16.862 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.332 10.664 -17.113 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.974 12.074 -20.706 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.172 11.470 -19.537 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.615 10.631 -19.728 1.00 0.00 H new ATOM 20 N GLU A 2 15.741 12.387 -12.193 1.00 0.00 N ATOM 21 CA GLU A 2 15.332 13.017 -10.936 1.00 0.00 C ATOM 22 C GLU A 2 14.234 12.206 -10.266 1.00 0.00 C ATOM 23 O GLU A 2 13.045 12.488 -10.424 1.00 0.00 O ATOM 24 CB GLU A 2 14.858 14.456 -11.152 1.00 0.00 C ATOM 25 CG GLU A 2 15.885 15.357 -11.809 1.00 0.00 C ATOM 26 CD GLU A 2 15.372 16.769 -11.995 1.00 0.00 C ATOM 27 OE1 GLU A 2 16.000 17.713 -11.468 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.332 16.944 -12.663 1.00 0.00 O ATOM 0 H GLU A 2 16.710 12.070 -12.199 1.00 0.00 H new ATOM 0 HA GLU A 2 16.207 13.044 -10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.958 14.442 -11.766 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.580 14.883 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.789 15.378 -11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.162 14.942 -12.778 1.00 0.00 H new ATOM 35 N PHE A 3 14.645 11.194 -9.520 1.00 0.00 N ATOM 36 CA PHE A 3 13.702 10.312 -8.848 1.00 0.00 C ATOM 37 C PHE A 3 12.965 11.057 -7.747 1.00 0.00 C ATOM 38 O PHE A 3 13.576 11.595 -6.824 1.00 0.00 O ATOM 39 CB PHE A 3 14.424 9.092 -8.271 1.00 0.00 C ATOM 40 CG PHE A 3 13.514 8.112 -7.584 1.00 0.00 C ATOM 41 CD1 PHE A 3 13.341 8.145 -6.209 1.00 0.00 C ATOM 42 CD2 PHE A 3 12.834 7.155 -8.318 1.00 0.00 C ATOM 43 CE1 PHE A 3 12.503 7.241 -5.581 1.00 0.00 C ATOM 44 CE2 PHE A 3 11.997 6.250 -7.695 1.00 0.00 C ATOM 45 CZ PHE A 3 11.831 6.293 -6.326 1.00 0.00 C ATOM 0 H PHE A 3 15.626 10.962 -9.364 1.00 0.00 H new ATOM 0 HA PHE A 3 12.973 9.969 -9.582 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.951 8.580 -9.076 1.00 0.00 H new ATOM 0 HB3 PHE A 3 15.178 9.431 -7.561 1.00 0.00 H new ATOM 0 HD1 PHE A 3 13.866 8.884 -5.622 1.00 0.00 H new ATOM 0 HD2 PHE A 3 12.959 7.116 -9.390 1.00 0.00 H new ATOM 0 HE1 PHE A 3 12.375 7.277 -4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.472 5.509 -8.280 1.00 0.00 H new ATOM 0 HZ PHE A 3 11.176 5.586 -5.838 1.00 0.00 H new ATOM 55 N THR A 4 11.653 11.092 -7.862 1.00 0.00 N ATOM 56 CA THR A 4 10.819 11.723 -6.859 1.00 0.00 C ATOM 57 C THR A 4 10.058 10.673 -6.066 1.00 0.00 C ATOM 58 O THR A 4 9.494 9.736 -6.634 1.00 0.00 O ATOM 59 CB THR A 4 9.849 12.749 -7.497 1.00 0.00 C ATOM 60 OG1 THR A 4 10.456 14.047 -7.489 1.00 0.00 O ATOM 61 CG2 THR A 4 8.511 12.810 -6.776 1.00 0.00 C ATOM 0 H THR A 4 11.139 10.688 -8.645 1.00 0.00 H new ATOM 0 HA THR A 4 11.468 12.269 -6.174 1.00 0.00 H new ATOM 0 HB THR A 4 9.654 12.424 -8.519 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.844 14.697 -7.894 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.869 13.544 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.034 11.830 -6.811 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.670 13.099 -5.737 1.00 0.00 H new ATOM 69 N VAL A 5 10.073 10.821 -4.757 1.00 0.00 N ATOM 70 CA VAL A 5 9.359 9.908 -3.885 1.00 0.00 C ATOM 71 C VAL A 5 7.950 10.441 -3.654 1.00 0.00 C ATOM 72 O VAL A 5 7.724 11.654 -3.646 1.00 0.00 O ATOM 73 CB VAL A 5 10.090 9.700 -2.525 1.00 0.00 C ATOM 74 CG1 VAL A 5 11.594 9.820 -2.702 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.598 10.651 -1.444 1.00 0.00 C ATOM 0 H VAL A 5 10.573 11.566 -4.272 1.00 0.00 H new ATOM 0 HA VAL A 5 9.316 8.934 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 5 9.852 8.691 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.086 9.672 -1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.939 9.064 -3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.837 10.811 -3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.141 10.462 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.767 11.680 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.532 10.493 -1.278 1.00 0.00 H new ATOM 85 N SER A 6 7.002 9.529 -3.530 1.00 0.00 N ATOM 86 CA SER A 6 5.616 9.893 -3.295 1.00 0.00 C ATOM 87 C SER A 6 5.470 10.522 -1.915 1.00 0.00 C ATOM 88 O SER A 6 5.820 9.908 -0.908 1.00 0.00 O ATOM 89 CB SER A 6 4.719 8.660 -3.409 1.00 0.00 C ATOM 90 OG SER A 6 5.049 7.898 -4.564 1.00 0.00 O ATOM 0 H SER A 6 7.169 8.524 -3.589 1.00 0.00 H new ATOM 0 HA SER A 6 5.310 10.618 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.828 8.042 -2.517 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.675 8.968 -3.458 1.00 0.00 H new ATOM 0 HG SER A 6 5.781 7.282 -4.351 1.00 0.00 H new ATOM 96 N THR A 7 4.971 11.745 -1.878 1.00 0.00 N ATOM 97 CA THR A 7 4.857 12.484 -0.639 1.00 0.00 C ATOM 98 C THR A 7 3.397 12.634 -0.237 1.00 0.00 C ATOM 99 O THR A 7 2.509 12.212 -0.972 1.00 0.00 O ATOM 100 CB THR A 7 5.510 13.865 -0.782 1.00 0.00 C ATOM 101 OG1 THR A 7 4.910 14.575 -1.874 1.00 0.00 O ATOM 102 CG2 THR A 7 6.999 13.715 -1.032 1.00 0.00 C ATOM 0 H THR A 7 4.637 12.248 -2.700 1.00 0.00 H new ATOM 0 HA THR A 7 5.376 11.928 0.142 1.00 0.00 H new ATOM 0 HB THR A 7 5.358 14.424 0.142 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.329 15.457 -1.960 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.452 14.701 -1.132 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.457 13.188 -0.195 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.159 13.148 -1.949 1.00 0.00 H new ATOM 110 N THR A 8 3.152 13.234 0.919 1.00 0.00 N ATOM 111 CA THR A 8 1.800 13.372 1.438 1.00 0.00 C ATOM 112 C THR A 8 0.892 14.131 0.470 1.00 0.00 C ATOM 113 O THR A 8 -0.134 13.607 0.035 1.00 0.00 O ATOM 114 CB THR A 8 1.802 14.089 2.796 1.00 0.00 C ATOM 115 OG1 THR A 8 2.695 13.421 3.703 1.00 0.00 O ATOM 116 CG2 THR A 8 0.400 14.116 3.380 1.00 0.00 C ATOM 0 H THR A 8 3.875 13.634 1.517 1.00 0.00 H new ATOM 0 HA THR A 8 1.408 12.362 1.561 1.00 0.00 H new ATOM 0 HB THR A 8 2.142 15.114 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.527 13.196 3.237 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.417 14.627 4.343 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.267 14.645 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.043 13.095 3.517 1.00 0.00 H new ATOM 124 N GLU A 9 1.279 15.353 0.126 1.00 0.00 N ATOM 125 CA GLU A 9 0.458 16.209 -0.721 1.00 0.00 C ATOM 126 C GLU A 9 0.219 15.590 -2.094 1.00 0.00 C ATOM 127 O GLU A 9 -0.881 15.685 -2.641 1.00 0.00 O ATOM 128 CB GLU A 9 1.087 17.592 -0.871 1.00 0.00 C ATOM 129 CG GLU A 9 1.102 18.390 0.421 1.00 0.00 C ATOM 130 CD GLU A 9 1.584 19.811 0.223 1.00 0.00 C ATOM 131 OE1 GLU A 9 0.755 20.684 -0.120 1.00 0.00 O ATOM 132 OE2 GLU A 9 2.791 20.070 0.409 1.00 0.00 O ATOM 0 H GLU A 9 2.159 15.775 0.422 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.509 16.312 -0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.109 17.481 -1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.539 18.152 -1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.098 18.407 0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.745 17.890 1.145 1.00 0.00 H new ATOM 139 N ASP A 10 1.237 14.946 -2.646 1.00 0.00 N ATOM 140 CA ASP A 10 1.107 14.309 -3.953 1.00 0.00 C ATOM 141 C ASP A 10 0.255 13.044 -3.840 1.00 0.00 C ATOM 142 O ASP A 10 -0.556 12.741 -4.722 1.00 0.00 O ATOM 143 CB ASP A 10 2.499 14.039 -4.549 1.00 0.00 C ATOM 144 CG ASP A 10 2.744 12.608 -4.986 1.00 0.00 C ATOM 145 OD1 ASP A 10 2.256 12.218 -6.067 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.481 11.891 -4.281 1.00 0.00 O ATOM 0 H ASP A 10 2.156 14.850 -2.215 1.00 0.00 H new ATOM 0 HA ASP A 10 0.590 14.979 -4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.643 14.695 -5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.253 14.311 -3.810 1.00 0.00 H new ATOM 151 N LEU A 11 0.413 12.339 -2.725 1.00 0.00 N ATOM 152 CA LEU A 11 -0.435 11.196 -2.403 1.00 0.00 C ATOM 153 C LEU A 11 -1.900 11.621 -2.327 1.00 0.00 C ATOM 154 O LEU A 11 -2.783 10.906 -2.802 1.00 0.00 O ATOM 155 CB LEU A 11 0.001 10.548 -1.082 1.00 0.00 C ATOM 156 CG LEU A 11 -0.895 9.418 -0.579 1.00 0.00 C ATOM 157 CD1 LEU A 11 -0.820 8.227 -1.513 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.506 9.012 0.834 1.00 0.00 C ATOM 0 H LEU A 11 1.126 12.541 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.327 10.459 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.012 10.160 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.046 11.321 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.923 9.779 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.464 7.431 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.150 8.524 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.208 7.868 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.157 8.206 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.529 8.671 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.611 9.868 1.501 1.00 0.00 H new ATOM 170 N GLN A 12 -2.145 12.807 -1.761 1.00 0.00 N ATOM 171 CA GLN A 12 -3.502 13.327 -1.582 1.00 0.00 C ATOM 172 C GLN A 12 -4.263 13.365 -2.901 1.00 0.00 C ATOM 173 O GLN A 12 -5.480 13.169 -2.942 1.00 0.00 O ATOM 174 CB GLN A 12 -3.464 14.730 -0.978 1.00 0.00 C ATOM 175 CG GLN A 12 -2.964 14.767 0.459 1.00 0.00 C ATOM 176 CD GLN A 12 -3.840 13.980 1.409 1.00 0.00 C ATOM 177 OE1 GLN A 12 -3.633 12.791 1.616 1.00 0.00 O ATOM 178 NE2 GLN A 12 -4.816 14.643 2.005 1.00 0.00 N ATOM 0 H GLN A 12 -1.413 13.429 -1.417 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.021 12.652 -0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.823 15.363 -1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.465 15.159 -1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.949 14.370 0.495 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.913 15.803 0.794 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.956 15.634 1.806 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.429 14.164 2.664 1.00 0.00 H new ATOM 187 N ARG A 13 -3.533 13.602 -3.978 1.00 0.00 N ATOM 188 CA ARG A 13 -4.126 13.688 -5.298 1.00 0.00 C ATOM 189 C ARG A 13 -4.637 12.322 -5.743 1.00 0.00 C ATOM 190 O ARG A 13 -5.771 12.197 -6.200 1.00 0.00 O ATOM 191 CB ARG A 13 -3.107 14.231 -6.298 1.00 0.00 C ATOM 192 CG ARG A 13 -3.672 14.435 -7.693 1.00 0.00 C ATOM 193 CD ARG A 13 -2.671 15.119 -8.602 1.00 0.00 C ATOM 194 NE ARG A 13 -3.224 15.358 -9.930 1.00 0.00 N ATOM 195 CZ ARG A 13 -2.830 16.334 -10.744 1.00 0.00 C ATOM 196 NH1 ARG A 13 -1.855 17.165 -10.380 1.00 0.00 N ATOM 197 NH2 ARG A 13 -3.411 16.474 -11.927 1.00 0.00 N ATOM 0 H ARG A 13 -2.522 13.739 -3.961 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.973 14.373 -5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.720 15.181 -5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.263 13.543 -6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.952 13.471 -8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.581 15.034 -7.635 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.366 16.067 -8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.776 14.503 -8.686 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.963 14.735 -10.257 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.404 17.056 -9.471 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.559 17.911 -11.010 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.155 15.836 -12.208 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.114 17.220 -12.556 1.00 0.00 H new ATOM 211 N TYR A 14 -3.814 11.291 -5.564 1.00 0.00 N ATOM 212 CA TYR A 14 -4.179 9.946 -6.002 1.00 0.00 C ATOM 213 C TYR A 14 -5.346 9.404 -5.186 1.00 0.00 C ATOM 214 O TYR A 14 -6.231 8.742 -5.728 1.00 0.00 O ATOM 215 CB TYR A 14 -2.988 8.989 -5.911 1.00 0.00 C ATOM 216 CG TYR A 14 -1.827 9.389 -6.796 1.00 0.00 C ATOM 217 CD1 TYR A 14 -2.016 9.601 -8.155 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.548 9.545 -6.281 1.00 0.00 C ATOM 219 CE1 TYR A 14 -0.965 9.961 -8.975 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.508 9.905 -7.096 1.00 0.00 C ATOM 221 CZ TYR A 14 0.295 10.113 -8.441 1.00 0.00 C ATOM 222 OH TYR A 14 1.345 10.478 -9.255 1.00 0.00 O ATOM 0 H TYR A 14 -2.897 11.360 -5.122 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.485 10.016 -7.046 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.647 8.942 -4.877 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.315 7.986 -6.185 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.002 9.482 -8.578 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.375 9.383 -5.227 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.130 10.123 -10.030 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.498 10.023 -6.680 1.00 0.00 H new ATOM 0 HH TYR A 14 2.165 10.543 -8.722 1.00 0.00 H new ATOM 232 N ARG A 15 -5.350 9.699 -3.888 1.00 0.00 N ATOM 233 CA ARG A 15 -6.453 9.291 -3.015 1.00 0.00 C ATOM 234 C ARG A 15 -7.756 9.876 -3.544 1.00 0.00 C ATOM 235 O ARG A 15 -8.761 9.180 -3.664 1.00 0.00 O ATOM 236 CB ARG A 15 -6.237 9.761 -1.567 1.00 0.00 C ATOM 237 CG ARG A 15 -4.806 9.618 -1.071 1.00 0.00 C ATOM 238 CD ARG A 15 -4.608 10.284 0.288 1.00 0.00 C ATOM 239 NE ARG A 15 -5.042 9.442 1.400 1.00 0.00 N ATOM 240 CZ ARG A 15 -5.451 9.908 2.579 1.00 0.00 C ATOM 241 NH1 ARG A 15 -5.520 11.213 2.798 1.00 0.00 N ATOM 242 NH2 ARG A 15 -5.762 9.057 3.542 1.00 0.00 N ATOM 0 H ARG A 15 -4.607 10.216 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.496 8.202 -3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.534 10.807 -1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.896 9.192 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.550 8.561 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.124 10.062 -1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.554 10.532 0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.162 11.223 0.312 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.031 8.431 1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.259 11.868 2.061 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.834 11.562 3.703 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.688 8.053 3.379 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.076 9.405 4.448 1.00 0.00 H new ATOM 256 N THR A 16 -7.701 11.156 -3.892 1.00 0.00 N ATOM 257 CA THR A 16 -8.848 11.881 -4.416 1.00 0.00 C ATOM 258 C THR A 16 -9.391 11.241 -5.695 1.00 0.00 C ATOM 259 O THR A 16 -10.592 10.970 -5.805 1.00 0.00 O ATOM 260 CB THR A 16 -8.451 13.343 -4.693 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.233 14.031 -3.452 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.506 14.061 -5.514 1.00 0.00 C ATOM 0 H THR A 16 -6.855 11.721 -3.818 1.00 0.00 H new ATOM 0 HA THR A 16 -9.638 11.844 -3.666 1.00 0.00 H new ATOM 0 HB THR A 16 -7.528 13.339 -5.273 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.327 13.843 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.192 15.090 -5.690 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.632 13.552 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.452 14.058 -4.973 1.00 0.00 H new ATOM 270 N GLU A 17 -8.504 11.003 -6.659 1.00 0.00 N ATOM 271 CA GLU A 17 -8.898 10.400 -7.930 1.00 0.00 C ATOM 272 C GLU A 17 -9.543 9.037 -7.699 1.00 0.00 C ATOM 273 O GLU A 17 -10.553 8.709 -8.318 1.00 0.00 O ATOM 274 CB GLU A 17 -7.696 10.244 -8.871 1.00 0.00 C ATOM 275 CG GLU A 17 -6.823 11.485 -8.962 1.00 0.00 C ATOM 276 CD GLU A 17 -7.517 12.622 -9.678 1.00 0.00 C ATOM 277 OE1 GLU A 17 -7.573 12.594 -10.928 1.00 0.00 O ATOM 278 OE2 GLU A 17 -8.011 13.546 -9.002 1.00 0.00 O ATOM 0 H GLU A 17 -7.510 11.218 -6.584 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.621 11.068 -8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.087 9.407 -8.531 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.057 9.991 -9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.545 11.806 -7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.899 11.239 -9.485 1.00 0.00 H new ATOM 285 N CYS A 18 -8.979 8.261 -6.784 1.00 0.00 N ATOM 286 CA CYS A 18 -9.504 6.937 -6.489 1.00 0.00 C ATOM 287 C CYS A 18 -10.839 7.029 -5.768 1.00 0.00 C ATOM 288 O CYS A 18 -11.701 6.163 -5.924 1.00 0.00 O ATOM 289 CB CYS A 18 -8.505 6.134 -5.668 1.00 0.00 C ATOM 290 SG CYS A 18 -6.983 5.749 -6.583 1.00 0.00 S ATOM 0 H CYS A 18 -8.161 8.525 -6.235 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.666 6.420 -7.435 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.250 6.693 -4.768 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.973 5.204 -5.344 1.00 0.00 H new ATOM 295 N VAL A 19 -11.019 8.094 -5.003 1.00 0.00 N ATOM 296 CA VAL A 19 -12.270 8.330 -4.315 1.00 0.00 C ATOM 297 C VAL A 19 -13.388 8.569 -5.320 1.00 0.00 C ATOM 298 O VAL A 19 -14.428 7.911 -5.280 1.00 0.00 O ATOM 299 CB VAL A 19 -12.167 9.519 -3.333 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.542 10.090 -3.018 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.472 9.077 -2.055 1.00 0.00 C ATOM 0 H VAL A 19 -10.309 8.809 -4.845 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.500 7.439 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.578 10.305 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.439 10.925 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.011 10.438 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.162 9.317 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.403 9.920 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.044 8.275 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.470 8.719 -2.291 1.00 0.00 H new ATOM 311 N SER A 20 -13.148 9.490 -6.237 1.00 0.00 N ATOM 312 CA SER A 20 -14.127 9.836 -7.251 1.00 0.00 C ATOM 313 C SER A 20 -14.364 8.668 -8.218 1.00 0.00 C ATOM 314 O SER A 20 -15.488 8.441 -8.663 1.00 0.00 O ATOM 315 CB SER A 20 -13.650 11.080 -8.008 1.00 0.00 C ATOM 316 OG SER A 20 -14.648 11.573 -8.889 1.00 0.00 O ATOM 0 H SER A 20 -12.276 10.015 -6.299 1.00 0.00 H new ATOM 0 HA SER A 20 -15.078 10.051 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.378 11.858 -7.295 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.751 10.839 -8.575 1.00 0.00 H new ATOM 0 HG SER A 20 -14.311 12.367 -9.354 1.00 0.00 H new ATOM 322 N SER A 21 -13.308 7.919 -8.523 1.00 0.00 N ATOM 323 CA SER A 21 -13.395 6.829 -9.489 1.00 0.00 C ATOM 324 C SER A 21 -14.166 5.639 -8.917 1.00 0.00 C ATOM 325 O SER A 21 -15.090 5.128 -9.547 1.00 0.00 O ATOM 326 CB SER A 21 -11.986 6.393 -9.902 1.00 0.00 C ATOM 327 OG SER A 21 -12.016 5.390 -10.903 1.00 0.00 O ATOM 0 H SER A 21 -12.382 8.047 -8.115 1.00 0.00 H new ATOM 0 HA SER A 21 -13.937 7.189 -10.363 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.432 7.257 -10.270 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.451 6.019 -9.029 1.00 0.00 H new ATOM 0 HG SER A 21 -11.099 5.139 -11.142 1.00 0.00 H new ATOM 333 N LEU A 22 -13.795 5.213 -7.715 1.00 0.00 N ATOM 334 CA LEU A 22 -14.389 4.027 -7.112 1.00 0.00 C ATOM 335 C LEU A 22 -15.658 4.363 -6.332 1.00 0.00 C ATOM 336 O LEU A 22 -16.234 3.499 -5.666 1.00 0.00 O ATOM 337 CB LEU A 22 -13.368 3.350 -6.203 1.00 0.00 C ATOM 338 CG LEU A 22 -12.174 2.752 -6.938 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.087 2.370 -5.954 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.608 1.541 -7.745 1.00 0.00 C ATOM 0 H LEU A 22 -13.087 5.670 -7.140 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.673 3.345 -7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.006 4.078 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.866 2.560 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.773 3.501 -7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.241 1.944 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.761 3.256 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.476 1.634 -5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.746 1.123 -8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.028 0.790 -7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.362 1.840 -8.473 1.00 0.00 H new ATOM 352 N ASN A 23 -16.087 5.623 -6.436 1.00 0.00 N ATOM 353 CA ASN A 23 -17.287 6.115 -5.754 1.00 0.00 C ATOM 354 C ASN A 23 -17.206 5.871 -4.250 1.00 0.00 C ATOM 355 O ASN A 23 -18.194 5.503 -3.613 1.00 0.00 O ATOM 356 CB ASN A 23 -18.545 5.461 -6.331 1.00 0.00 C ATOM 357 CG ASN A 23 -18.687 5.689 -7.824 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.205 6.685 -8.363 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.359 4.775 -8.501 1.00 0.00 N ATOM 0 H ASN A 23 -15.612 6.331 -6.996 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.345 7.191 -5.921 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.517 4.390 -6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.423 5.858 -5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -19.493 4.881 -9.507 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -19.743 3.963 -8.018 1.00 0.00 H new ATOM 366 N ILE A 24 -16.016 6.076 -3.698 1.00 0.00 N ATOM 367 CA ILE A 24 -15.773 5.887 -2.277 1.00 0.00 C ATOM 368 C ILE A 24 -16.621 6.853 -1.452 1.00 0.00 C ATOM 369 O ILE A 24 -16.576 8.067 -1.668 1.00 0.00 O ATOM 370 CB ILE A 24 -14.280 6.105 -1.944 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.392 5.218 -2.833 1.00 0.00 C ATOM 372 CG2 ILE A 24 -14.012 5.821 -0.471 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.611 3.728 -2.643 1.00 0.00 C ATOM 0 H ILE A 24 -15.195 6.377 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.049 4.863 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 24 -14.034 7.148 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.576 5.470 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.347 5.449 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.955 5.980 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.612 6.492 0.144 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.277 4.788 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.946 3.175 -3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.398 3.458 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.646 3.480 -2.877 1.00 0.00 H new ATOM 385 N PRO A 25 -17.419 6.319 -0.514 1.00 0.00 N ATOM 386 CA PRO A 25 -18.240 7.130 0.384 1.00 0.00 C ATOM 387 C PRO A 25 -17.379 8.034 1.254 1.00 0.00 C ATOM 388 O PRO A 25 -16.303 7.643 1.717 1.00 0.00 O ATOM 389 CB PRO A 25 -18.978 6.104 1.248 1.00 0.00 C ATOM 390 CG PRO A 25 -18.854 4.810 0.531 1.00 0.00 C ATOM 391 CD PRO A 25 -17.573 4.881 -0.248 1.00 0.00 C ATOM 0 HA PRO A 25 -18.915 7.790 -0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.539 6.043 2.244 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.024 6.381 1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.836 3.977 1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.704 4.650 -0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.733 4.485 0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.631 4.305 -1.171 1.00 0.00 H new ATOM 399 N ALA A 26 -17.878 9.249 1.458 1.00 0.00 N ATOM 400 CA ALA A 26 -17.164 10.293 2.184 1.00 0.00 C ATOM 401 C ALA A 26 -16.700 9.830 3.557 1.00 0.00 C ATOM 402 O ALA A 26 -15.640 10.244 4.021 1.00 0.00 O ATOM 403 CB ALA A 26 -18.053 11.511 2.327 1.00 0.00 C ATOM 0 H ALA A 26 -18.796 9.539 1.121 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.273 10.543 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.518 12.290 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.327 11.880 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.955 11.241 2.876 1.00 0.00 H new ATOM 409 N ASP A 27 -17.499 8.986 4.203 1.00 0.00 N ATOM 410 CA ASP A 27 -17.152 8.456 5.521 1.00 0.00 C ATOM 411 C ASP A 27 -15.784 7.782 5.503 1.00 0.00 C ATOM 412 O ASP A 27 -14.928 8.077 6.339 1.00 0.00 O ATOM 413 CB ASP A 27 -18.203 7.464 6.006 1.00 0.00 C ATOM 414 CG ASP A 27 -17.843 6.875 7.356 1.00 0.00 C ATOM 415 OD1 ASP A 27 -17.893 7.612 8.366 1.00 0.00 O ATOM 416 OD2 ASP A 27 -17.504 5.675 7.416 1.00 0.00 O ATOM 0 H ASP A 27 -18.391 8.654 3.837 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.118 9.301 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.170 7.963 6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.309 6.661 5.276 1.00 0.00 H new ATOM 421 N TYR A 28 -15.586 6.875 4.548 1.00 0.00 N ATOM 422 CA TYR A 28 -14.302 6.211 4.375 1.00 0.00 C ATOM 423 C TYR A 28 -13.189 7.227 4.162 1.00 0.00 C ATOM 424 O TYR A 28 -12.115 7.107 4.743 1.00 0.00 O ATOM 425 CB TYR A 28 -14.354 5.248 3.188 1.00 0.00 C ATOM 426 CG TYR A 28 -14.973 3.907 3.506 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.182 2.777 3.682 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.348 3.768 3.619 1.00 0.00 C ATOM 429 CE1 TYR A 28 -14.748 1.549 3.959 1.00 0.00 C ATOM 430 CE2 TYR A 28 -16.919 2.544 3.901 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.116 1.437 4.067 1.00 0.00 C ATOM 432 OH TYR A 28 -16.686 0.215 4.343 1.00 0.00 O ATOM 0 H TYR A 28 -16.302 6.585 3.882 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.091 5.648 5.284 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.919 5.714 2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.341 5.090 2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.108 2.862 3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -16.982 4.632 3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.121 0.680 4.090 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -17.991 2.454 3.991 1.00 0.00 H new ATOM 0 HH TYR A 28 -15.994 -0.407 4.649 1.00 0.00 H new ATOM 442 N VAL A 29 -13.470 8.237 3.345 1.00 0.00 N ATOM 443 CA VAL A 29 -12.486 9.255 3.000 1.00 0.00 C ATOM 444 C VAL A 29 -11.957 9.966 4.247 1.00 0.00 C ATOM 445 O VAL A 29 -10.748 10.154 4.399 1.00 0.00 O ATOM 446 CB VAL A 29 -13.078 10.291 2.031 1.00 0.00 C ATOM 447 CG1 VAL A 29 -12.027 11.311 1.632 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.648 9.597 0.810 1.00 0.00 C ATOM 0 H VAL A 29 -14.381 8.372 2.906 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.657 8.744 2.511 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.886 10.821 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.465 12.036 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.664 11.826 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.196 10.804 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.065 10.340 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.857 9.045 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.433 8.906 1.117 1.00 0.00 H new ATOM 458 N GLU A 30 -12.864 10.350 5.140 1.00 0.00 N ATOM 459 CA GLU A 30 -12.473 11.001 6.389 1.00 0.00 C ATOM 460 C GLU A 30 -11.688 10.033 7.266 1.00 0.00 C ATOM 461 O GLU A 30 -10.740 10.418 7.949 1.00 0.00 O ATOM 462 CB GLU A 30 -13.699 11.490 7.157 1.00 0.00 C ATOM 463 CG GLU A 30 -14.773 12.090 6.272 1.00 0.00 C ATOM 464 CD GLU A 30 -15.922 12.682 7.062 1.00 0.00 C ATOM 465 OE1 GLU A 30 -15.895 13.900 7.340 1.00 0.00 O ATOM 466 OE2 GLU A 30 -16.860 11.933 7.408 1.00 0.00 O ATOM 0 H GLU A 30 -13.870 10.223 5.025 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.848 11.857 6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.124 10.655 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.385 12.235 7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.331 12.865 5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.157 11.321 5.602 1.00 0.00 H new ATOM 473 N LYS A 31 -12.079 8.768 7.220 1.00 0.00 N ATOM 474 CA LYS A 31 -11.501 7.754 8.085 1.00 0.00 C ATOM 475 C LYS A 31 -10.091 7.345 7.634 1.00 0.00 C ATOM 476 O LYS A 31 -9.266 6.939 8.458 1.00 0.00 O ATOM 477 CB LYS A 31 -12.456 6.554 8.167 1.00 0.00 C ATOM 478 CG LYS A 31 -11.872 5.221 7.740 1.00 0.00 C ATOM 479 CD LYS A 31 -12.853 4.087 7.997 1.00 0.00 C ATOM 480 CE LYS A 31 -13.395 4.114 9.425 1.00 0.00 C ATOM 481 NZ LYS A 31 -14.297 2.966 9.701 1.00 0.00 N ATOM 0 H LYS A 31 -12.799 8.419 6.588 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.379 8.172 9.084 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.809 6.463 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.328 6.763 7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.619 5.254 6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.946 5.035 8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.682 4.158 7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.360 3.132 7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.563 4.098 10.129 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.935 5.047 9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.873 3.171 10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.921 2.811 8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.729 2.111 9.870 1.00 0.00 H new ATOM 495 N PHE A 32 -9.795 7.474 6.337 1.00 0.00 N ATOM 496 CA PHE A 32 -8.467 7.147 5.832 1.00 0.00 C ATOM 497 C PHE A 32 -7.443 8.159 6.330 1.00 0.00 C ATOM 498 O PHE A 32 -6.248 7.872 6.390 1.00 0.00 O ATOM 499 CB PHE A 32 -8.433 7.090 4.298 1.00 0.00 C ATOM 500 CG PHE A 32 -9.325 6.039 3.694 1.00 0.00 C ATOM 501 CD1 PHE A 32 -10.071 6.313 2.558 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.407 4.775 4.255 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.881 5.346 1.995 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.217 3.807 3.699 1.00 0.00 C ATOM 505 CZ PHE A 32 -10.955 4.091 2.568 1.00 0.00 C ATOM 0 H PHE A 32 -10.452 7.799 5.628 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.215 6.157 6.211 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.722 8.064 3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.408 6.907 3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.018 7.293 2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.830 4.545 5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.455 5.571 1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.274 2.827 4.149 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.589 3.334 2.132 1.00 0.00 H new ATOM 515 N LYS A 33 -7.916 9.341 6.705 1.00 0.00 N ATOM 516 CA LYS A 33 -7.044 10.379 7.232 1.00 0.00 C ATOM 517 C LYS A 33 -6.516 9.977 8.608 1.00 0.00 C ATOM 518 O LYS A 33 -5.425 10.380 9.009 1.00 0.00 O ATOM 519 CB LYS A 33 -7.797 11.710 7.305 1.00 0.00 C ATOM 520 CG LYS A 33 -7.003 12.841 7.938 1.00 0.00 C ATOM 521 CD LYS A 33 -7.811 14.126 7.983 1.00 0.00 C ATOM 522 CE LYS A 33 -7.045 15.244 8.670 1.00 0.00 C ATOM 523 NZ LYS A 33 -6.714 14.906 10.079 1.00 0.00 N ATOM 0 H LYS A 33 -8.900 9.603 6.653 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.192 10.502 6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.088 12.005 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.716 11.564 7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.708 12.559 8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.086 13.005 7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.068 14.430 6.969 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.748 13.949 8.510 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.126 15.446 8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.638 16.158 8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.968 15.704 10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.248 14.061 10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.695 14.716 10.160 1.00 0.00 H new ATOM 537 N LYS A 34 -7.285 9.158 9.316 1.00 0.00 N ATOM 538 CA LYS A 34 -6.885 8.683 10.638 1.00 0.00 C ATOM 539 C LYS A 34 -6.241 7.299 10.559 1.00 0.00 C ATOM 540 O LYS A 34 -6.239 6.548 11.537 1.00 0.00 O ATOM 541 CB LYS A 34 -8.086 8.651 11.587 1.00 0.00 C ATOM 542 CG LYS A 34 -8.466 10.018 12.131 1.00 0.00 C ATOM 543 CD LYS A 34 -9.619 9.918 13.115 1.00 0.00 C ATOM 544 CE LYS A 34 -9.931 11.263 13.747 1.00 0.00 C ATOM 545 NZ LYS A 34 -11.040 11.168 14.729 1.00 0.00 N ATOM 0 H LYS A 34 -8.189 8.808 8.998 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.145 9.381 11.029 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.942 8.227 11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.862 7.986 12.421 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.604 10.469 12.622 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.744 10.676 11.307 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.504 9.542 12.602 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.372 9.197 13.895 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.039 11.647 14.242 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.196 11.978 12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.223 12.106 15.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.898 10.825 14.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.777 10.505 15.486 1.00 0.00 H new ATOM 559 N TRP A 35 -5.691 6.984 9.388 1.00 0.00 N ATOM 560 CA TRP A 35 -5.041 5.698 9.133 1.00 0.00 C ATOM 561 C TRP A 35 -5.927 4.512 9.528 1.00 0.00 C ATOM 562 O TRP A 35 -5.454 3.535 10.115 1.00 0.00 O ATOM 563 CB TRP A 35 -3.691 5.630 9.858 1.00 0.00 C ATOM 564 CG TRP A 35 -2.683 6.613 9.334 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.434 7.864 9.820 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.791 6.429 8.224 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.446 8.470 9.082 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.036 7.611 8.097 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.557 5.385 7.324 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.064 7.774 7.110 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.594 5.548 6.346 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.141 6.733 6.245 1.00 0.00 C ATOM 0 H TRP A 35 -5.683 7.615 8.586 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.872 5.626 8.059 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.848 5.813 10.921 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.287 4.622 9.765 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.940 8.312 10.662 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.078 9.408 9.242 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.120 4.466 7.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.506 8.688 7.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.406 4.746 5.648 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.886 6.829 5.469 1.00 0.00 H new ATOM 583 N GLU A 36 -7.209 4.600 9.202 1.00 0.00 N ATOM 584 CA GLU A 36 -8.141 3.508 9.450 1.00 0.00 C ATOM 585 C GLU A 36 -8.532 2.844 8.144 1.00 0.00 C ATOM 586 O GLU A 36 -9.190 3.452 7.302 1.00 0.00 O ATOM 587 CB GLU A 36 -9.393 4.007 10.170 1.00 0.00 C ATOM 588 CG GLU A 36 -9.187 4.317 11.636 1.00 0.00 C ATOM 589 CD GLU A 36 -10.463 4.774 12.313 1.00 0.00 C ATOM 590 OE1 GLU A 36 -11.301 3.913 12.666 1.00 0.00 O ATOM 591 OE2 GLU A 36 -10.630 5.994 12.513 1.00 0.00 O ATOM 0 H GLU A 36 -7.629 5.420 8.763 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.642 2.780 10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.753 4.905 9.668 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.176 3.254 10.076 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.807 3.430 12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.427 5.092 11.738 1.00 0.00 H new ATOM 598 N PHE A 37 -8.115 1.603 7.973 1.00 0.00 N ATOM 599 CA PHE A 37 -8.406 0.869 6.752 1.00 0.00 C ATOM 600 C PHE A 37 -9.225 -0.383 7.053 1.00 0.00 C ATOM 601 O PHE A 37 -8.665 -1.446 7.327 1.00 0.00 O ATOM 602 CB PHE A 37 -7.100 0.493 6.042 1.00 0.00 C ATOM 603 CG PHE A 37 -6.220 1.678 5.768 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.307 2.105 6.718 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.312 2.373 4.572 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.501 3.200 6.481 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.509 3.470 4.330 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.603 3.884 5.287 1.00 0.00 C ATOM 0 H PHE A 37 -7.574 1.081 8.663 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.995 1.510 6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.554 -0.225 6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.335 -0.004 5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.225 1.575 7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.019 2.053 3.821 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.791 3.521 7.229 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.589 4.003 3.394 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.975 4.743 5.101 1.00 0.00 H new ATOM 618 N PRO A 38 -10.565 -0.264 7.033 1.00 0.00 N ATOM 619 CA PRO A 38 -11.468 -1.402 7.253 1.00 0.00 C ATOM 620 C PRO A 38 -11.244 -2.530 6.259 1.00 0.00 C ATOM 621 O PRO A 38 -10.946 -2.299 5.085 1.00 0.00 O ATOM 622 CB PRO A 38 -12.859 -0.801 7.061 1.00 0.00 C ATOM 623 CG PRO A 38 -12.681 0.646 7.341 1.00 0.00 C ATOM 624 CD PRO A 38 -11.313 0.987 6.818 1.00 0.00 C ATOM 0 HA PRO A 38 -11.311 -1.851 8.234 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.227 -0.967 6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.583 -1.251 7.741 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.450 1.240 6.847 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.756 0.852 8.409 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.340 1.267 5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.869 1.823 7.359 1.00 0.00 H new ATOM 632 N GLU A 39 -11.397 -3.750 6.738 1.00 0.00 N ATOM 633 CA GLU A 39 -11.182 -4.923 5.918 1.00 0.00 C ATOM 634 C GLU A 39 -12.457 -5.294 5.163 1.00 0.00 C ATOM 635 O GLU A 39 -13.183 -6.218 5.539 1.00 0.00 O ATOM 636 CB GLU A 39 -10.687 -6.073 6.794 1.00 0.00 C ATOM 637 CG GLU A 39 -10.265 -7.312 6.025 1.00 0.00 C ATOM 638 CD GLU A 39 -9.367 -8.214 6.841 1.00 0.00 C ATOM 639 OE1 GLU A 39 -9.874 -9.153 7.488 1.00 0.00 O ATOM 640 OE2 GLU A 39 -8.142 -7.992 6.837 1.00 0.00 O ATOM 0 H GLU A 39 -11.672 -3.953 7.699 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.418 -4.709 5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.842 -5.724 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.477 -6.346 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.152 -7.867 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.746 -7.013 5.115 1.00 0.00 H new ATOM 647 N ASP A 40 -12.721 -4.550 4.098 1.00 0.00 N ATOM 648 CA ASP A 40 -13.889 -4.783 3.254 1.00 0.00 C ATOM 649 C ASP A 40 -13.622 -4.263 1.839 1.00 0.00 C ATOM 650 O ASP A 40 -12.659 -3.521 1.631 1.00 0.00 O ATOM 651 CB ASP A 40 -15.146 -4.118 3.848 1.00 0.00 C ATOM 652 CG ASP A 40 -15.291 -2.649 3.489 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.805 -2.353 2.385 1.00 0.00 O ATOM 654 OD2 ASP A 40 -14.929 -1.790 4.321 1.00 0.00 O ATOM 0 H ASP A 40 -12.136 -3.771 3.794 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.072 -5.857 3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.028 -4.656 3.501 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.119 -4.216 4.933 1.00 0.00 H new ATOM 659 N ASP A 41 -14.466 -4.659 0.882 1.00 0.00 N ATOM 660 CA ASP A 41 -14.263 -4.353 -0.547 1.00 0.00 C ATOM 661 C ASP A 41 -13.890 -2.894 -0.805 1.00 0.00 C ATOM 662 O ASP A 41 -13.001 -2.612 -1.614 1.00 0.00 O ATOM 663 CB ASP A 41 -15.520 -4.687 -1.362 1.00 0.00 C ATOM 664 CG ASP A 41 -15.791 -6.174 -1.446 1.00 0.00 C ATOM 665 OD1 ASP A 41 -15.470 -6.780 -2.489 1.00 0.00 O ATOM 666 OD2 ASP A 41 -16.327 -6.747 -0.472 1.00 0.00 O ATOM 0 H ASP A 41 -15.310 -5.200 1.070 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.426 -4.976 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -16.380 -4.191 -0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.411 -4.285 -2.369 1.00 0.00 H new ATOM 671 N THR A 42 -14.567 -1.978 -0.121 1.00 0.00 N ATOM 672 CA THR A 42 -14.390 -0.550 -0.350 1.00 0.00 C ATOM 673 C THR A 42 -12.923 -0.141 -0.246 1.00 0.00 C ATOM 674 O THR A 42 -12.318 0.318 -1.220 1.00 0.00 O ATOM 675 CB THR A 42 -15.198 0.256 0.673 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.493 -0.332 0.846 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.340 1.698 0.223 1.00 0.00 C ATOM 0 H THR A 42 -15.249 -2.203 0.603 1.00 0.00 H new ATOM 0 HA THR A 42 -14.743 -0.339 -1.359 1.00 0.00 H new ATOM 0 HB THR A 42 -14.667 0.240 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.466 -0.970 1.590 1.00 0.00 H new ATOM 0 HG21 THR A 42 -15.917 2.255 0.962 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.352 2.146 0.121 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.854 1.730 -0.738 1.00 0.00 H new ATOM 685 N THR A 43 -12.366 -0.325 0.939 1.00 0.00 N ATOM 686 CA THR A 43 -10.987 0.033 1.217 1.00 0.00 C ATOM 687 C THR A 43 -10.014 -0.745 0.330 1.00 0.00 C ATOM 688 O THR A 43 -8.977 -0.222 -0.076 1.00 0.00 O ATOM 689 CB THR A 43 -10.653 -0.251 2.688 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.687 0.275 3.534 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.318 0.371 3.068 1.00 0.00 C ATOM 0 H THR A 43 -12.859 -0.728 1.736 1.00 0.00 H new ATOM 0 HA THR A 43 -10.878 1.097 1.006 1.00 0.00 H new ATOM 0 HB THR A 43 -10.585 -1.331 2.822 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.822 -0.325 4.297 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.102 0.157 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.530 -0.048 2.442 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.364 1.450 2.920 1.00 0.00 H new ATOM 699 N MET A 44 -10.368 -1.985 0.017 1.00 0.00 N ATOM 700 CA MET A 44 -9.472 -2.875 -0.713 1.00 0.00 C ATOM 701 C MET A 44 -9.191 -2.361 -2.121 1.00 0.00 C ATOM 702 O MET A 44 -8.033 -2.193 -2.509 1.00 0.00 O ATOM 703 CB MET A 44 -10.048 -4.288 -0.768 1.00 0.00 C ATOM 704 CG MET A 44 -10.192 -4.924 0.602 1.00 0.00 C ATOM 705 SD MET A 44 -10.908 -6.574 0.540 1.00 0.00 S ATOM 706 CE MET A 44 -10.940 -6.965 2.286 1.00 0.00 C ATOM 0 H MET A 44 -11.269 -2.398 0.257 1.00 0.00 H new ATOM 0 HA MET A 44 -8.525 -2.901 -0.174 1.00 0.00 H new ATOM 0 HB2 MET A 44 -11.024 -4.258 -1.253 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.404 -4.913 -1.387 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.212 -4.977 1.077 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.816 -4.287 1.229 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.657 -8.008 2.431 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.238 -6.321 2.816 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.945 -6.804 2.676 1.00 0.00 H new ATOM 716 N CYS A 45 -10.244 -2.103 -2.886 1.00 0.00 N ATOM 717 CA CYS A 45 -10.075 -1.593 -4.242 1.00 0.00 C ATOM 718 C CYS A 45 -9.512 -0.179 -4.217 1.00 0.00 C ATOM 719 O CYS A 45 -8.807 0.230 -5.141 1.00 0.00 O ATOM 720 CB CYS A 45 -11.389 -1.632 -5.027 1.00 0.00 C ATOM 721 SG CYS A 45 -11.964 -3.319 -5.422 1.00 0.00 S ATOM 0 H CYS A 45 -11.213 -2.236 -2.596 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.365 -2.244 -4.752 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.161 -1.121 -4.451 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.263 -1.075 -5.955 1.00 0.00 H new ATOM 726 N TYR A 46 -9.812 0.557 -3.151 1.00 0.00 N ATOM 727 CA TYR A 46 -9.276 1.894 -2.970 1.00 0.00 C ATOM 728 C TYR A 46 -7.754 1.851 -2.921 1.00 0.00 C ATOM 729 O TYR A 46 -7.080 2.555 -3.672 1.00 0.00 O ATOM 730 CB TYR A 46 -9.850 2.512 -1.694 1.00 0.00 C ATOM 731 CG TYR A 46 -9.116 3.749 -1.221 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.329 3.712 -0.077 1.00 0.00 C ATOM 733 CD2 TYR A 46 -9.211 4.949 -1.915 1.00 0.00 C ATOM 734 CE1 TYR A 46 -7.660 4.837 0.364 1.00 0.00 C ATOM 735 CE2 TYR A 46 -8.544 6.077 -1.480 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.772 6.015 -0.341 1.00 0.00 C ATOM 737 OH TYR A 46 -7.114 7.138 0.095 1.00 0.00 O ATOM 0 H TYR A 46 -10.426 0.245 -2.399 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.567 2.516 -3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.896 2.767 -1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.830 1.765 -0.900 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.239 2.789 0.476 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.816 5.000 -2.808 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.053 4.793 1.256 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.627 7.003 -2.030 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.756 6.979 0.993 1.00 0.00 H new ATOM 747 N ILE A 47 -7.228 0.993 -2.052 1.00 0.00 N ATOM 748 CA ILE A 47 -5.792 0.816 -1.909 1.00 0.00 C ATOM 749 C ILE A 47 -5.158 0.419 -3.237 1.00 0.00 C ATOM 750 O ILE A 47 -4.113 0.946 -3.617 1.00 0.00 O ATOM 751 CB ILE A 47 -5.463 -0.249 -0.836 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.872 0.251 0.559 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.984 -0.624 -0.866 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.219 1.558 0.966 1.00 0.00 C ATOM 0 H ILE A 47 -7.784 0.405 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.377 1.772 -1.590 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.037 -1.147 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.955 0.375 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.620 -0.513 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.783 -1.374 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.731 -1.028 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.380 0.262 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.560 1.841 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.136 1.436 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.491 2.338 0.254 1.00 0.00 H new ATOM 766 N LYS A 48 -5.815 -0.486 -3.952 1.00 0.00 N ATOM 767 CA LYS A 48 -5.294 -0.979 -5.215 1.00 0.00 C ATOM 768 C LYS A 48 -5.156 0.162 -6.213 1.00 0.00 C ATOM 769 O LYS A 48 -4.129 0.309 -6.870 1.00 0.00 O ATOM 770 CB LYS A 48 -6.218 -2.048 -5.792 1.00 0.00 C ATOM 771 CG LYS A 48 -5.576 -2.855 -6.908 1.00 0.00 C ATOM 772 CD LYS A 48 -6.597 -3.681 -7.663 1.00 0.00 C ATOM 773 CE LYS A 48 -7.395 -2.838 -8.636 1.00 0.00 C ATOM 774 NZ LYS A 48 -6.554 -2.350 -9.762 1.00 0.00 N ATOM 0 H LYS A 48 -6.709 -0.892 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.312 -1.416 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.524 -2.724 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.122 -1.572 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.070 -2.181 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.814 -3.513 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.090 -4.479 -8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.275 -4.157 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.225 -3.425 -9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.828 -1.987 -8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.162 -2.112 -10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.029 -1.504 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.882 -3.093 -10.041 1.00 0.00 H new ATOM 788 N CYS A 49 -6.205 0.970 -6.311 1.00 0.00 N ATOM 789 CA CYS A 49 -6.233 2.092 -7.239 1.00 0.00 C ATOM 790 C CYS A 49 -5.076 3.064 -7.003 1.00 0.00 C ATOM 791 O CYS A 49 -4.360 3.415 -7.943 1.00 0.00 O ATOM 792 CB CYS A 49 -7.571 2.823 -7.140 1.00 0.00 C ATOM 793 SG CYS A 49 -7.607 4.431 -7.997 1.00 0.00 S ATOM 0 H CYS A 49 -7.053 0.867 -5.754 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.116 1.689 -8.245 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.352 2.186 -7.554 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.811 2.979 -6.088 1.00 0.00 H new ATOM 798 N VAL A 50 -4.874 3.489 -5.753 1.00 0.00 N ATOM 799 CA VAL A 50 -3.845 4.483 -5.473 1.00 0.00 C ATOM 800 C VAL A 50 -2.458 3.874 -5.649 1.00 0.00 C ATOM 801 O VAL A 50 -1.524 4.559 -6.049 1.00 0.00 O ATOM 802 CB VAL A 50 -3.970 5.158 -4.068 1.00 0.00 C ATOM 803 CG1 VAL A 50 -5.386 5.074 -3.527 1.00 0.00 C ATOM 804 CG2 VAL A 50 -2.980 4.599 -3.055 1.00 0.00 C ATOM 0 H VAL A 50 -5.398 3.167 -4.939 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.997 5.281 -6.199 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.721 6.208 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.431 5.554 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.068 5.579 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.677 4.028 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.113 5.105 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.154 3.531 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.963 4.761 -3.413 1.00 0.00 H new ATOM 814 N PHE A 51 -2.339 2.573 -5.401 1.00 0.00 N ATOM 815 CA PHE A 51 -1.062 1.895 -5.552 1.00 0.00 C ATOM 816 C PHE A 51 -0.698 1.756 -7.027 1.00 0.00 C ATOM 817 O PHE A 51 0.479 1.752 -7.395 1.00 0.00 O ATOM 818 CB PHE A 51 -1.094 0.529 -4.867 1.00 0.00 C ATOM 819 CG PHE A 51 -0.492 0.532 -3.493 1.00 0.00 C ATOM 820 CD1 PHE A 51 -1.202 1.014 -2.403 1.00 0.00 C ATOM 821 CD2 PHE A 51 0.790 0.052 -3.293 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.641 1.015 -1.142 1.00 0.00 C ATOM 823 CE2 PHE A 51 1.356 0.051 -2.035 1.00 0.00 C ATOM 824 CZ PHE A 51 0.639 0.534 -0.957 1.00 0.00 C ATOM 0 H PHE A 51 -3.106 1.974 -5.097 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.293 2.498 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.128 0.189 -4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.560 -0.192 -5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.204 1.392 -2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.355 -0.327 -4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.203 1.392 -0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.358 -0.327 -1.893 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.080 0.535 0.029 1.00 0.00 H new ATOM 834 N ASN A 52 -1.720 1.658 -7.865 1.00 0.00 N ATOM 835 CA ASN A 52 -1.533 1.614 -9.310 1.00 0.00 C ATOM 836 C ASN A 52 -1.136 2.990 -9.826 1.00 0.00 C ATOM 837 O ASN A 52 -0.246 3.124 -10.669 1.00 0.00 O ATOM 838 CB ASN A 52 -2.817 1.143 -10.010 1.00 0.00 C ATOM 839 CG ASN A 52 -3.035 -0.358 -9.905 1.00 0.00 C ATOM 840 OD1 ASN A 52 -2.590 -1.004 -8.959 1.00 0.00 O ATOM 841 ND2 ASN A 52 -3.734 -0.926 -10.877 1.00 0.00 N ATOM 0 H ASN A 52 -2.694 1.607 -7.567 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.737 0.904 -9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.672 1.660 -9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.775 1.426 -11.062 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.917 -1.929 -10.854 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.089 -0.360 -11.648 1.00 0.00 H new ATOM 848 N LYS A 53 -1.784 4.014 -9.289 1.00 0.00 N ATOM 849 CA LYS A 53 -1.538 5.390 -9.698 1.00 0.00 C ATOM 850 C LYS A 53 -0.174 5.876 -9.212 1.00 0.00 C ATOM 851 O LYS A 53 0.462 6.711 -9.853 1.00 0.00 O ATOM 852 CB LYS A 53 -2.641 6.304 -9.157 1.00 0.00 C ATOM 853 CG LYS A 53 -3.956 6.215 -9.923 1.00 0.00 C ATOM 854 CD LYS A 53 -5.019 7.119 -9.316 1.00 0.00 C ATOM 855 CE LYS A 53 -6.352 6.976 -10.037 1.00 0.00 C ATOM 856 NZ LYS A 53 -6.258 7.354 -11.472 1.00 0.00 N ATOM 0 H LYS A 53 -2.492 3.916 -8.561 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.542 5.424 -10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.824 6.055 -8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.288 7.335 -9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.791 6.494 -10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.310 5.184 -9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.147 6.875 -8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.687 8.156 -9.365 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.698 5.945 -9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.097 7.602 -9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.213 7.405 -11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.795 8.281 -11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.700 6.640 -11.983 1.00 0.00 H new ATOM 870 N MET A 54 0.271 5.339 -8.084 1.00 0.00 N ATOM 871 CA MET A 54 1.554 5.717 -7.503 1.00 0.00 C ATOM 872 C MET A 54 2.697 4.918 -8.114 1.00 0.00 C ATOM 873 O MET A 54 3.853 5.078 -7.725 1.00 0.00 O ATOM 874 CB MET A 54 1.537 5.505 -5.991 1.00 0.00 C ATOM 875 CG MET A 54 0.682 6.509 -5.244 1.00 0.00 C ATOM 876 SD MET A 54 0.310 5.977 -3.563 1.00 0.00 S ATOM 877 CE MET A 54 1.886 6.235 -2.760 1.00 0.00 C ATOM 0 H MET A 54 -0.240 4.636 -7.550 1.00 0.00 H new ATOM 0 HA MET A 54 1.714 6.773 -7.721 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.172 4.500 -5.778 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.558 5.559 -5.614 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.197 7.469 -5.213 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.250 6.665 -5.788 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.746 6.244 -1.679 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.569 5.430 -3.031 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.305 7.189 -3.080 1.00 0.00 H new ATOM 887 N GLN A 55 2.349 4.049 -9.068 1.00 0.00 N ATOM 888 CA GLN A 55 3.318 3.201 -9.756 1.00 0.00 C ATOM 889 C GLN A 55 4.097 2.329 -8.773 1.00 0.00 C ATOM 890 O GLN A 55 5.314 2.179 -8.877 1.00 0.00 O ATOM 891 CB GLN A 55 4.262 4.059 -10.597 1.00 0.00 C ATOM 892 CG GLN A 55 3.615 4.565 -11.873 1.00 0.00 C ATOM 893 CD GLN A 55 4.471 5.578 -12.609 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.699 5.528 -12.556 1.00 0.00 O ATOM 895 NE2 GLN A 55 3.828 6.516 -13.289 1.00 0.00 N ATOM 0 H GLN A 55 1.388 3.916 -9.382 1.00 0.00 H new ATOM 0 HA GLN A 55 2.773 2.529 -10.419 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.599 4.909 -10.004 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.147 3.476 -10.850 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.414 3.720 -12.532 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.653 5.017 -11.632 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.808 6.523 -13.309 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.353 7.231 -13.793 1.00 0.00 H new ATOM 904 N LEU A 56 3.374 1.747 -7.828 1.00 0.00 N ATOM 905 CA LEU A 56 3.982 0.964 -6.763 1.00 0.00 C ATOM 906 C LEU A 56 3.501 -0.482 -6.805 1.00 0.00 C ATOM 907 O LEU A 56 4.162 -1.392 -6.297 1.00 0.00 O ATOM 908 CB LEU A 56 3.650 1.599 -5.407 1.00 0.00 C ATOM 909 CG LEU A 56 4.772 2.436 -4.797 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.304 3.089 -3.505 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.997 1.577 -4.537 1.00 0.00 C ATOM 0 H LEU A 56 2.357 1.803 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 56 5.063 0.960 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.768 2.229 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.385 0.807 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 56 5.041 3.218 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.115 3.682 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.451 3.736 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.010 2.318 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.786 2.191 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.739 0.775 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.347 1.148 -5.476 1.00 0.00 H new ATOM 923 N PHE A 57 2.349 -0.685 -7.423 1.00 0.00 N ATOM 924 CA PHE A 57 1.751 -2.004 -7.529 1.00 0.00 C ATOM 925 C PHE A 57 1.296 -2.215 -8.957 1.00 0.00 C ATOM 926 O PHE A 57 0.677 -1.334 -9.556 1.00 0.00 O ATOM 927 CB PHE A 57 0.561 -2.134 -6.559 1.00 0.00 C ATOM 928 CG PHE A 57 -0.172 -3.448 -6.623 1.00 0.00 C ATOM 929 CD1 PHE A 57 0.231 -4.527 -5.853 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.283 -3.594 -7.440 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.457 -5.724 -5.899 1.00 0.00 C ATOM 932 CE2 PHE A 57 -1.973 -4.789 -7.491 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.558 -5.856 -6.721 1.00 0.00 C ATOM 0 H PHE A 57 1.805 0.057 -7.863 1.00 0.00 H new ATOM 0 HA PHE A 57 2.485 -2.764 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.923 -1.986 -5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.146 -1.330 -6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.093 -4.431 -5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.613 -2.762 -8.044 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.133 -6.557 -5.292 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.836 -4.888 -8.133 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.094 -6.793 -6.761 1.00 0.00 H new ATOM 943 N ASP A 58 1.627 -3.357 -9.514 1.00 0.00 N ATOM 944 CA ASP A 58 1.176 -3.693 -10.849 1.00 0.00 C ATOM 945 C ASP A 58 0.014 -4.659 -10.735 1.00 0.00 C ATOM 946 O ASP A 58 0.080 -5.635 -9.992 1.00 0.00 O ATOM 947 CB ASP A 58 2.314 -4.293 -11.683 1.00 0.00 C ATOM 948 CG ASP A 58 1.876 -4.638 -13.090 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.943 -3.755 -13.972 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.460 -5.788 -13.325 1.00 0.00 O ATOM 0 H ASP A 58 2.205 -4.069 -9.067 1.00 0.00 H new ATOM 0 HA ASP A 58 0.851 -2.789 -11.363 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.142 -3.585 -11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.688 -5.191 -11.191 1.00 0.00 H new ATOM 955 N ASP A 59 -1.051 -4.374 -11.469 1.00 0.00 N ATOM 956 CA ASP A 59 -2.311 -5.107 -11.331 1.00 0.00 C ATOM 957 C ASP A 59 -2.137 -6.568 -11.740 1.00 0.00 C ATOM 958 O ASP A 59 -2.961 -7.424 -11.419 1.00 0.00 O ATOM 959 CB ASP A 59 -3.394 -4.433 -12.178 1.00 0.00 C ATOM 960 CG ASP A 59 -4.792 -4.946 -11.896 1.00 0.00 C ATOM 961 OD1 ASP A 59 -5.287 -5.794 -12.667 1.00 0.00 O ATOM 962 OD2 ASP A 59 -5.422 -4.475 -10.925 1.00 0.00 O ATOM 0 H ASP A 59 -1.072 -3.636 -12.173 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.616 -5.089 -10.285 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.367 -3.358 -11.998 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.166 -4.586 -13.233 1.00 0.00 H new ATOM 967 N THR A 60 -1.052 -6.843 -12.447 1.00 0.00 N ATOM 968 CA THR A 60 -0.734 -8.189 -12.882 1.00 0.00 C ATOM 969 C THR A 60 0.380 -8.825 -12.033 1.00 0.00 C ATOM 970 O THR A 60 0.172 -9.862 -11.400 1.00 0.00 O ATOM 971 CB THR A 60 -0.319 -8.169 -14.361 1.00 0.00 C ATOM 972 OG1 THR A 60 -1.452 -7.828 -15.171 1.00 0.00 O ATOM 973 CG2 THR A 60 0.260 -9.503 -14.799 1.00 0.00 C ATOM 0 H THR A 60 -0.371 -6.140 -12.733 1.00 0.00 H new ATOM 0 HA THR A 60 -1.629 -8.798 -12.754 1.00 0.00 H new ATOM 0 HB THR A 60 0.461 -7.418 -14.487 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.187 -7.813 -16.114 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.542 -9.450 -15.851 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.140 -9.732 -14.199 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.486 -10.286 -14.663 1.00 0.00 H new ATOM 981 N GLU A 61 1.561 -8.203 -12.029 1.00 0.00 N ATOM 982 CA GLU A 61 2.737 -8.771 -11.364 1.00 0.00 C ATOM 983 C GLU A 61 2.728 -8.550 -9.848 1.00 0.00 C ATOM 984 O GLU A 61 3.576 -9.096 -9.137 1.00 0.00 O ATOM 985 CB GLU A 61 4.014 -8.181 -11.956 1.00 0.00 C ATOM 986 CG GLU A 61 3.970 -8.048 -13.463 1.00 0.00 C ATOM 987 CD GLU A 61 5.283 -7.578 -14.045 1.00 0.00 C ATOM 988 OE1 GLU A 61 5.479 -6.353 -14.174 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.131 -8.432 -14.382 1.00 0.00 O ATOM 0 H GLU A 61 1.729 -7.304 -12.480 1.00 0.00 H new ATOM 0 HA GLU A 61 2.704 -9.847 -11.537 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.190 -7.199 -11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.859 -8.811 -11.678 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.707 -9.011 -13.901 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.183 -7.346 -13.739 1.00 0.00 H new ATOM 996 N GLY A 62 1.796 -7.752 -9.351 1.00 0.00 N ATOM 997 CA GLY A 62 1.696 -7.546 -7.916 1.00 0.00 C ATOM 998 C GLY A 62 2.601 -6.438 -7.406 1.00 0.00 C ATOM 999 O GLY A 62 2.939 -5.518 -8.151 1.00 0.00 O ATOM 0 H GLY A 62 1.109 -7.245 -9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.663 -7.309 -7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.946 -8.475 -7.404 1.00 0.00 H new ATOM 1003 N PRO A 63 3.001 -6.507 -6.124 1.00 0.00 N ATOM 1004 CA PRO A 63 3.866 -5.500 -5.501 1.00 0.00 C ATOM 1005 C PRO A 63 5.210 -5.390 -6.206 1.00 0.00 C ATOM 1006 O PRO A 63 5.925 -6.380 -6.362 1.00 0.00 O ATOM 1007 CB PRO A 63 4.063 -6.008 -4.064 1.00 0.00 C ATOM 1008 CG PRO A 63 2.975 -7.000 -3.836 1.00 0.00 C ATOM 1009 CD PRO A 63 2.641 -7.580 -5.185 1.00 0.00 C ATOM 0 HA PRO A 63 3.422 -4.506 -5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.044 -6.467 -3.942 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.003 -5.189 -3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.298 -7.780 -3.147 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.102 -6.523 -3.391 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.207 -8.490 -5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.585 -7.839 -5.259 1.00 0.00 H new ATOM 1017 N LEU A 64 5.544 -4.186 -6.637 1.00 0.00 N ATOM 1018 CA LEU A 64 6.810 -3.942 -7.306 1.00 0.00 C ATOM 1019 C LEU A 64 7.871 -3.607 -6.275 1.00 0.00 C ATOM 1020 O LEU A 64 8.042 -2.450 -5.891 1.00 0.00 O ATOM 1021 CB LEU A 64 6.669 -2.816 -8.331 1.00 0.00 C ATOM 1022 CG LEU A 64 5.534 -3.023 -9.337 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.403 -1.825 -10.265 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.773 -4.295 -10.135 1.00 0.00 C ATOM 0 H LEU A 64 4.954 -3.360 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 64 7.111 -4.842 -7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.504 -1.877 -7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.608 -2.715 -8.875 1.00 0.00 H new ATOM 0 HG LEU A 64 4.598 -3.122 -8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.590 -1.998 -10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.191 -0.931 -9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.335 -1.686 -10.813 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.961 -4.435 -10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.718 -4.215 -10.672 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.811 -5.148 -9.457 1.00 0.00 H new ATOM 1036 N VAL A 65 8.565 -4.649 -5.832 1.00 0.00 N ATOM 1037 CA VAL A 65 9.535 -4.557 -4.749 1.00 0.00 C ATOM 1038 C VAL A 65 10.561 -3.448 -4.973 1.00 0.00 C ATOM 1039 O VAL A 65 10.863 -2.694 -4.054 1.00 0.00 O ATOM 1040 CB VAL A 65 10.263 -5.901 -4.549 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.365 -5.777 -3.508 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.272 -6.981 -4.151 1.00 0.00 C ATOM 0 H VAL A 65 8.469 -5.588 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 65 8.970 -4.310 -3.850 1.00 0.00 H new ATOM 0 HB VAL A 65 10.726 -6.182 -5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.862 -6.740 -3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.091 -5.032 -3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.933 -5.470 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.799 -7.925 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.782 -6.699 -3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.523 -7.095 -4.935 1.00 0.00 H new ATOM 1052 N ASP A 66 11.080 -3.339 -6.190 1.00 0.00 N ATOM 1053 CA ASP A 66 12.110 -2.346 -6.491 1.00 0.00 C ATOM 1054 C ASP A 66 11.614 -0.929 -6.216 1.00 0.00 C ATOM 1055 O ASP A 66 12.291 -0.145 -5.545 1.00 0.00 O ATOM 1056 CB ASP A 66 12.565 -2.460 -7.941 1.00 0.00 C ATOM 1057 CG ASP A 66 13.640 -1.445 -8.292 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.837 -1.769 -8.161 1.00 0.00 O ATOM 1059 OD2 ASP A 66 13.294 -0.316 -8.700 1.00 0.00 O ATOM 0 H ASP A 66 10.808 -3.921 -6.982 1.00 0.00 H new ATOM 0 HA ASP A 66 12.957 -2.548 -5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.945 -3.465 -8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.708 -2.320 -8.600 1.00 0.00 H new ATOM 1064 N ASN A 67 10.435 -0.603 -6.732 1.00 0.00 N ATOM 1065 CA ASN A 67 9.846 0.711 -6.506 1.00 0.00 C ATOM 1066 C ASN A 67 9.495 0.884 -5.038 1.00 0.00 C ATOM 1067 O ASN A 67 9.654 1.965 -4.477 1.00 0.00 O ATOM 1068 CB ASN A 67 8.593 0.915 -7.362 1.00 0.00 C ATOM 1069 CG ASN A 67 8.893 1.072 -8.841 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.841 0.489 -9.370 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.077 1.860 -9.522 1.00 0.00 N ATOM 0 H ASN A 67 9.870 -1.228 -7.307 1.00 0.00 H new ATOM 0 HA ASN A 67 10.584 1.459 -6.794 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.924 0.065 -7.223 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.062 1.800 -7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.222 2.002 -10.522 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.303 2.325 -9.047 1.00 0.00 H new ATOM 1078 N LEU A 68 9.037 -0.197 -4.424 1.00 0.00 N ATOM 1079 CA LEU A 68 8.656 -0.195 -3.017 1.00 0.00 C ATOM 1080 C LEU A 68 9.833 0.180 -2.127 1.00 0.00 C ATOM 1081 O LEU A 68 9.704 1.005 -1.225 1.00 0.00 O ATOM 1082 CB LEU A 68 8.103 -1.566 -2.624 1.00 0.00 C ATOM 1083 CG LEU A 68 6.635 -1.786 -2.990 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.292 -3.264 -2.965 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.741 -1.023 -2.031 1.00 0.00 C ATOM 0 H LEU A 68 8.919 -1.099 -4.885 1.00 0.00 H new ATOM 0 HA LEU A 68 7.880 0.557 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.704 -2.338 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.220 -1.696 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 68 6.470 -1.414 -4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.243 -3.399 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.917 -3.795 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.469 -3.662 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.697 -1.186 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.913 -1.376 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.969 0.041 -2.090 1.00 0.00 H new ATOM 1097 N VAL A 69 10.980 -0.419 -2.399 1.00 0.00 N ATOM 1098 CA VAL A 69 12.192 -0.136 -1.651 1.00 0.00 C ATOM 1099 C VAL A 69 12.694 1.276 -1.932 1.00 0.00 C ATOM 1100 O VAL A 69 13.040 2.005 -1.013 1.00 0.00 O ATOM 1101 CB VAL A 69 13.291 -1.155 -1.978 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.556 -0.836 -1.212 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.820 -2.559 -1.658 1.00 0.00 C ATOM 0 H VAL A 69 11.097 -1.111 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 69 11.947 -0.214 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 69 13.510 -1.096 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.324 -1.569 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.905 0.160 -1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.351 -0.868 -0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.611 -3.271 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.576 -2.628 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.934 -2.790 -2.250 1.00 0.00 H new ATOM 1113 N HIS A 70 12.705 1.672 -3.199 1.00 0.00 N ATOM 1114 CA HIS A 70 13.151 3.017 -3.567 1.00 0.00 C ATOM 1115 C HIS A 70 12.255 4.084 -2.944 1.00 0.00 C ATOM 1116 O HIS A 70 12.688 5.208 -2.693 1.00 0.00 O ATOM 1117 CB HIS A 70 13.179 3.183 -5.088 1.00 0.00 C ATOM 1118 CG HIS A 70 14.422 2.644 -5.726 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.454 1.483 -6.470 1.00 0.00 N ATOM 1120 CD2 HIS A 70 15.687 3.128 -5.738 1.00 0.00 C ATOM 1121 CE1 HIS A 70 15.682 1.277 -6.909 1.00 0.00 C ATOM 1122 NE2 HIS A 70 16.447 2.260 -6.478 1.00 0.00 N ATOM 0 H HIS A 70 12.414 1.090 -3.985 1.00 0.00 H new ATOM 0 HA HIS A 70 14.162 3.146 -3.180 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.313 2.679 -5.516 1.00 0.00 H new ATOM 0 HB3 HIS A 70 13.085 4.241 -5.332 1.00 0.00 H new ATOM 0 HD1 HIS A 70 13.654 0.878 -6.653 1.00 0.00 H new ATOM 0 HD2 HIS A 70 16.032 4.030 -5.255 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.005 0.445 -7.517 1.00 0.00 H new ATOM 1131 N GLN A 71 11.013 3.715 -2.692 1.00 0.00 N ATOM 1132 CA GLN A 71 10.037 4.617 -2.100 1.00 0.00 C ATOM 1133 C GLN A 71 10.185 4.673 -0.583 1.00 0.00 C ATOM 1134 O GLN A 71 10.444 5.731 -0.005 1.00 0.00 O ATOM 1135 CB GLN A 71 8.630 4.142 -2.466 1.00 0.00 C ATOM 1136 CG GLN A 71 7.509 5.022 -1.942 1.00 0.00 C ATOM 1137 CD GLN A 71 7.634 6.461 -2.384 1.00 0.00 C ATOM 1138 OE1 GLN A 71 7.232 6.819 -3.488 1.00 0.00 O ATOM 1139 NE2 GLN A 71 8.139 7.306 -1.502 1.00 0.00 N ATOM 0 H GLN A 71 10.650 2.783 -2.891 1.00 0.00 H new ATOM 0 HA GLN A 71 10.208 5.620 -2.491 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.551 4.084 -3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.491 3.131 -2.082 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.553 4.625 -2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.501 4.981 -0.853 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.461 6.966 -0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.206 8.299 -1.727 1.00 0.00 H new ATOM 1148 N LEU A 72 10.010 3.528 0.054 1.00 0.00 N ATOM 1149 CA LEU A 72 10.058 3.433 1.507 1.00 0.00 C ATOM 1150 C LEU A 72 11.457 3.736 2.042 1.00 0.00 C ATOM 1151 O LEU A 72 11.622 4.558 2.942 1.00 0.00 O ATOM 1152 CB LEU A 72 9.611 2.041 1.960 1.00 0.00 C ATOM 1153 CG LEU A 72 8.142 1.699 1.688 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.879 0.228 1.968 1.00 0.00 C ATOM 1155 CD2 LEU A 72 7.217 2.565 2.530 1.00 0.00 C ATOM 0 H LEU A 72 9.831 2.641 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 72 9.375 4.180 1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.237 1.298 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.795 1.950 3.030 1.00 0.00 H new ATOM 0 HG LEU A 72 7.938 1.900 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.831 0.002 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.511 -0.384 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.106 0.010 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.180 2.303 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.425 2.399 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.382 3.615 2.289 1.00 0.00 H new ATOM 1167 N ALA A 73 12.461 3.088 1.463 1.00 0.00 N ATOM 1168 CA ALA A 73 13.838 3.203 1.928 1.00 0.00 C ATOM 1169 C ALA A 73 14.535 4.464 1.412 1.00 0.00 C ATOM 1170 O ALA A 73 15.737 4.435 1.142 1.00 0.00 O ATOM 1171 CB ALA A 73 14.627 1.979 1.507 1.00 0.00 C ATOM 0 H ALA A 73 12.344 2.470 0.660 1.00 0.00 H new ATOM 0 HA ALA A 73 13.801 3.276 3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.655 2.071 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.174 1.087 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.620 1.898 0.420 1.00 0.00 H new ATOM 1177 N HIS A 74 13.797 5.558 1.251 1.00 0.00 N ATOM 1178 CA HIS A 74 14.389 6.795 0.736 1.00 0.00 C ATOM 1179 C HIS A 74 15.272 7.454 1.806 1.00 0.00 C ATOM 1180 O HIS A 74 14.862 8.370 2.521 1.00 0.00 O ATOM 1181 CB HIS A 74 13.308 7.764 0.192 1.00 0.00 C ATOM 1182 CG HIS A 74 12.413 8.399 1.221 1.00 0.00 C ATOM 1183 ND1 HIS A 74 12.190 9.759 1.279 1.00 0.00 N ATOM 1184 CD2 HIS A 74 11.683 7.861 2.227 1.00 0.00 C ATOM 1185 CE1 HIS A 74 11.368 10.028 2.274 1.00 0.00 C ATOM 1186 NE2 HIS A 74 11.046 8.896 2.864 1.00 0.00 N ATOM 0 H HIS A 74 12.802 5.617 1.465 1.00 0.00 H new ATOM 0 HA HIS A 74 15.028 6.541 -0.110 1.00 0.00 H new ATOM 0 HB2 HIS A 74 13.807 8.557 -0.366 1.00 0.00 H new ATOM 0 HB3 HIS A 74 12.684 7.220 -0.517 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.615 6.813 2.480 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.018 11.010 2.557 1.00 0.00 H new ATOM 0 HE2 HIS A 74 10.423 8.803 3.666 1.00 0.00 H new ATOM 1195 N GLY A 75 16.501 6.974 1.901 1.00 0.00 N ATOM 1196 CA GLY A 75 17.403 7.426 2.940 1.00 0.00 C ATOM 1197 C GLY A 75 17.481 6.430 4.077 1.00 0.00 C ATOM 1198 O GLY A 75 17.766 6.793 5.218 1.00 0.00 O ATOM 0 H GLY A 75 16.893 6.274 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.397 7.579 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.067 8.390 3.322 1.00 0.00 H new ATOM 1202 N ARG A 76 17.226 5.167 3.759 1.00 0.00 N ATOM 1203 CA ARG A 76 17.250 4.094 4.746 1.00 0.00 C ATOM 1204 C ARG A 76 17.849 2.836 4.133 1.00 0.00 C ATOM 1205 O ARG A 76 18.059 2.776 2.921 1.00 0.00 O ATOM 1206 CB ARG A 76 15.837 3.809 5.265 1.00 0.00 C ATOM 1207 CG ARG A 76 15.426 4.690 6.432 1.00 0.00 C ATOM 1208 CD ARG A 76 14.133 4.206 7.060 1.00 0.00 C ATOM 1209 NE ARG A 76 13.603 5.157 8.033 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.773 4.831 9.023 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.444 3.562 9.230 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.288 5.774 9.820 1.00 0.00 N ATOM 0 H ARG A 76 16.998 4.858 2.814 1.00 0.00 H new ATOM 0 HA ARG A 76 17.869 4.408 5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.126 3.945 4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.775 2.764 5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.217 4.696 7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.304 5.717 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.392 4.038 6.278 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.305 3.247 7.548 1.00 0.00 H new ATOM 0 HE ARG A 76 13.886 6.133 7.949 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.827 2.831 8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.808 3.317 9.989 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.550 6.749 9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.653 5.524 10.578 1.00 0.00 H new ATOM 1226 N ASP A 77 18.129 1.843 4.970 1.00 0.00 N ATOM 1227 CA ASP A 77 18.678 0.576 4.502 1.00 0.00 C ATOM 1228 C ASP A 77 17.698 -0.155 3.607 1.00 0.00 C ATOM 1229 O ASP A 77 16.720 -0.745 4.073 1.00 0.00 O ATOM 1230 CB ASP A 77 19.086 -0.323 5.665 1.00 0.00 C ATOM 1231 CG ASP A 77 20.426 0.073 6.244 1.00 0.00 C ATOM 1232 OD1 ASP A 77 20.454 0.810 7.252 1.00 0.00 O ATOM 1233 OD2 ASP A 77 21.462 -0.343 5.682 1.00 0.00 O ATOM 0 H ASP A 77 17.984 1.892 5.979 1.00 0.00 H new ATOM 0 HA ASP A 77 19.569 0.815 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.326 -0.275 6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.129 -1.358 5.325 1.00 0.00 H new ATOM 1238 N ALA A 78 17.987 -0.108 2.319 1.00 0.00 N ATOM 1239 CA ALA A 78 17.187 -0.769 1.307 1.00 0.00 C ATOM 1240 C ALA A 78 17.087 -2.264 1.574 1.00 0.00 C ATOM 1241 O ALA A 78 16.070 -2.889 1.289 1.00 0.00 O ATOM 1242 CB ALA A 78 17.800 -0.522 -0.058 1.00 0.00 C ATOM 0 H ALA A 78 18.791 0.395 1.944 1.00 0.00 H new ATOM 0 HA ALA A 78 16.178 -0.357 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.200 -1.018 -0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.826 0.549 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.815 -0.920 -0.079 1.00 0.00 H new ATOM 1248 N GLU A 79 18.150 -2.820 2.141 1.00 0.00 N ATOM 1249 CA GLU A 79 18.218 -4.249 2.433 1.00 0.00 C ATOM 1250 C GLU A 79 17.165 -4.651 3.462 1.00 0.00 C ATOM 1251 O GLU A 79 16.495 -5.674 3.312 1.00 0.00 O ATOM 1252 CB GLU A 79 19.607 -4.615 2.944 1.00 0.00 C ATOM 1253 CG GLU A 79 20.698 -4.431 1.903 1.00 0.00 C ATOM 1254 CD GLU A 79 22.082 -4.666 2.467 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.535 -3.849 3.301 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.733 -5.653 2.065 1.00 0.00 O ATOM 0 H GLU A 79 18.984 -2.299 2.410 1.00 0.00 H new ATOM 0 HA GLU A 79 18.019 -4.792 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.839 -4.003 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.603 -5.653 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.525 -5.118 1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.641 -3.421 1.497 1.00 0.00 H new ATOM 1263 N GLU A 80 17.019 -3.834 4.498 1.00 0.00 N ATOM 1264 CA GLU A 80 16.047 -4.098 5.547 1.00 0.00 C ATOM 1265 C GLU A 80 14.634 -3.878 5.023 1.00 0.00 C ATOM 1266 O GLU A 80 13.743 -4.703 5.226 1.00 0.00 O ATOM 1267 CB GLU A 80 16.309 -3.192 6.749 1.00 0.00 C ATOM 1268 CG GLU A 80 17.685 -3.381 7.358 1.00 0.00 C ATOM 1269 CD GLU A 80 17.842 -2.663 8.681 1.00 0.00 C ATOM 1270 OE1 GLU A 80 18.302 -3.300 9.652 1.00 0.00 O ATOM 1271 OE2 GLU A 80 17.502 -1.464 8.761 1.00 0.00 O ATOM 0 H GLU A 80 17.563 -2.982 4.633 1.00 0.00 H new ATOM 0 HA GLU A 80 16.146 -5.137 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.195 -2.152 6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.553 -3.384 7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.871 -4.445 7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.440 -3.018 6.660 1.00 0.00 H new ATOM 1278 N VAL A 81 14.452 -2.762 4.329 1.00 0.00 N ATOM 1279 CA VAL A 81 13.164 -2.397 3.760 1.00 0.00 C ATOM 1280 C VAL A 81 12.669 -3.444 2.759 1.00 0.00 C ATOM 1281 O VAL A 81 11.514 -3.863 2.812 1.00 0.00 O ATOM 1282 CB VAL A 81 13.255 -1.014 3.096 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.978 -0.672 2.350 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.555 0.034 4.153 1.00 0.00 C ATOM 0 H VAL A 81 15.193 -2.086 4.146 1.00 0.00 H new ATOM 0 HA VAL A 81 12.438 -2.356 4.572 1.00 0.00 H new ATOM 0 HB VAL A 81 14.063 -1.032 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.076 0.312 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.799 -1.417 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.140 -0.666 3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.620 1.016 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.758 0.039 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.503 -0.200 4.638 1.00 0.00 H new ATOM 1294 N ARG A 82 13.554 -3.868 1.857 1.00 0.00 N ATOM 1295 CA ARG A 82 13.237 -4.903 0.879 1.00 0.00 C ATOM 1296 C ARG A 82 12.800 -6.181 1.574 1.00 0.00 C ATOM 1297 O ARG A 82 11.820 -6.811 1.184 1.00 0.00 O ATOM 1298 CB ARG A 82 14.459 -5.201 0.020 1.00 0.00 C ATOM 1299 CG ARG A 82 14.154 -6.085 -1.172 1.00 0.00 C ATOM 1300 CD ARG A 82 15.425 -6.489 -1.893 1.00 0.00 C ATOM 1301 NE ARG A 82 16.226 -5.324 -2.268 1.00 0.00 N ATOM 1302 CZ ARG A 82 17.495 -5.137 -1.902 1.00 0.00 C ATOM 1303 NH1 ARG A 82 18.114 -6.032 -1.137 1.00 0.00 N ATOM 1304 NH2 ARG A 82 18.141 -4.044 -2.290 1.00 0.00 N ATOM 0 H ARG A 82 14.505 -3.505 1.785 1.00 0.00 H new ATOM 0 HA ARG A 82 12.423 -4.539 0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.884 -4.261 -0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.218 -5.683 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.622 -6.976 -0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.494 -5.557 -1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.014 -7.145 -1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.171 -7.059 -2.786 1.00 0.00 H new ATOM 0 HE ARG A 82 15.786 -4.609 -2.847 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.618 -6.868 -0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.084 -5.883 -0.861 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.667 -3.349 -2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.111 -3.899 -2.011 1.00 0.00 H new ATOM 1318 N THR A 83 13.541 -6.542 2.611 1.00 0.00 N ATOM 1319 CA THR A 83 13.282 -7.752 3.369 1.00 0.00 C ATOM 1320 C THR A 83 11.876 -7.728 3.971 1.00 0.00 C ATOM 1321 O THR A 83 11.107 -8.682 3.824 1.00 0.00 O ATOM 1322 CB THR A 83 14.342 -7.904 4.477 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.597 -8.281 3.894 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.924 -8.918 5.528 1.00 0.00 C ATOM 0 H THR A 83 14.338 -6.003 2.949 1.00 0.00 H new ATOM 0 HA THR A 83 13.342 -8.608 2.696 1.00 0.00 H new ATOM 0 HB THR A 83 14.444 -6.942 4.979 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.082 -7.477 3.613 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.700 -8.994 6.290 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.991 -8.598 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.781 -9.891 5.058 1.00 0.00 H new ATOM 1332 N GLU A 84 11.549 -6.624 4.631 1.00 0.00 N ATOM 1333 CA GLU A 84 10.228 -6.443 5.225 1.00 0.00 C ATOM 1334 C GLU A 84 9.131 -6.534 4.166 1.00 0.00 C ATOM 1335 O GLU A 84 8.120 -7.204 4.369 1.00 0.00 O ATOM 1336 CB GLU A 84 10.136 -5.104 5.956 1.00 0.00 C ATOM 1337 CG GLU A 84 10.998 -5.025 7.206 1.00 0.00 C ATOM 1338 CD GLU A 84 10.746 -6.173 8.160 1.00 0.00 C ATOM 1339 OE1 GLU A 84 11.532 -7.143 8.152 1.00 0.00 O ATOM 1340 OE2 GLU A 84 9.758 -6.112 8.922 1.00 0.00 O ATOM 0 H GLU A 84 12.183 -5.837 4.769 1.00 0.00 H new ATOM 0 HA GLU A 84 10.081 -7.247 5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.430 -4.307 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.097 -4.922 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.049 -5.021 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.804 -4.083 7.718 1.00 0.00 H new ATOM 1347 N VAL A 85 9.341 -5.860 3.037 1.00 0.00 N ATOM 1348 CA VAL A 85 8.397 -5.904 1.927 1.00 0.00 C ATOM 1349 C VAL A 85 8.150 -7.341 1.468 1.00 0.00 C ATOM 1350 O VAL A 85 7.004 -7.773 1.336 1.00 0.00 O ATOM 1351 CB VAL A 85 8.907 -5.067 0.733 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.115 -5.381 -0.524 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.829 -3.584 1.054 1.00 0.00 C ATOM 0 H VAL A 85 10.160 -5.276 2.869 1.00 0.00 H new ATOM 0 HA VAL A 85 7.459 -5.481 2.285 1.00 0.00 H new ATOM 0 HB VAL A 85 9.949 -5.330 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.492 -4.780 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.221 -6.438 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.063 -5.150 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.192 -3.008 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.795 -3.311 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.444 -3.368 1.927 1.00 0.00 H new ATOM 1363 N LEU A 86 9.234 -8.078 1.247 1.00 0.00 N ATOM 1364 CA LEU A 86 9.160 -9.451 0.761 1.00 0.00 C ATOM 1365 C LEU A 86 8.365 -10.343 1.711 1.00 0.00 C ATOM 1366 O LEU A 86 7.693 -11.279 1.275 1.00 0.00 O ATOM 1367 CB LEU A 86 10.566 -10.018 0.569 1.00 0.00 C ATOM 1368 CG LEU A 86 11.372 -9.378 -0.556 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.830 -9.787 -0.454 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.800 -9.772 -1.905 1.00 0.00 C ATOM 0 H LEU A 86 10.185 -7.742 1.399 1.00 0.00 H new ATOM 0 HA LEU A 86 8.640 -9.435 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.118 -9.903 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.487 -11.088 0.375 1.00 0.00 H new ATOM 0 HG LEU A 86 11.309 -8.294 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.395 -9.324 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.233 -9.460 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.910 -10.871 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.386 -9.308 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.837 -10.856 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.765 -9.436 -1.974 1.00 0.00 H new ATOM 1382 N LYS A 87 8.427 -10.035 3.003 1.00 0.00 N ATOM 1383 CA LYS A 87 7.694 -10.798 4.011 1.00 0.00 C ATOM 1384 C LYS A 87 6.192 -10.620 3.826 1.00 0.00 C ATOM 1385 O LYS A 87 5.394 -11.459 4.246 1.00 0.00 O ATOM 1386 CB LYS A 87 8.089 -10.355 5.423 1.00 0.00 C ATOM 1387 CG LYS A 87 9.502 -10.740 5.821 1.00 0.00 C ATOM 1388 CD LYS A 87 9.860 -10.181 7.187 1.00 0.00 C ATOM 1389 CE LYS A 87 11.307 -10.464 7.544 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.729 -9.728 8.763 1.00 0.00 N ATOM 0 H LYS A 87 8.977 -9.262 3.378 1.00 0.00 H new ATOM 0 HA LYS A 87 7.950 -11.850 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.985 -9.272 5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.390 -10.790 6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.596 -11.826 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.206 -10.368 5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.686 -9.105 7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.206 -10.617 7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.440 -11.534 7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.949 -10.183 6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.530 -10.221 9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.017 -8.763 8.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.936 -9.684 9.434 1.00 0.00 H new ATOM 1404 N CYS A 88 5.821 -9.535 3.174 1.00 0.00 N ATOM 1405 CA CYS A 88 4.422 -9.187 3.001 1.00 0.00 C ATOM 1406 C CYS A 88 3.948 -9.482 1.580 1.00 0.00 C ATOM 1407 O CYS A 88 2.749 -9.488 1.305 1.00 0.00 O ATOM 1408 CB CYS A 88 4.214 -7.718 3.355 1.00 0.00 C ATOM 1409 SG CYS A 88 4.140 -7.414 5.149 1.00 0.00 S ATOM 0 H CYS A 88 6.474 -8.874 2.752 1.00 0.00 H new ATOM 0 HA CYS A 88 3.823 -9.802 3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.026 -7.130 2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.290 -7.368 2.896 1.00 0.00 H new ATOM 1414 N VAL A 89 4.896 -9.727 0.680 1.00 0.00 N ATOM 1415 CA VAL A 89 4.570 -10.104 -0.685 1.00 0.00 C ATOM 1416 C VAL A 89 3.998 -11.518 -0.713 1.00 0.00 C ATOM 1417 O VAL A 89 4.691 -12.490 -0.400 1.00 0.00 O ATOM 1418 CB VAL A 89 5.801 -10.024 -1.609 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.453 -10.507 -3.005 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.343 -8.604 -1.666 1.00 0.00 C ATOM 0 H VAL A 89 5.896 -9.670 0.875 1.00 0.00 H new ATOM 0 HA VAL A 89 3.826 -9.398 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 89 6.574 -10.673 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.335 -10.443 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.114 -11.542 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.660 -9.884 -3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.211 -8.572 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.572 -7.936 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.634 -8.285 -0.665 1.00 0.00 H new ATOM 1430 N ASP A 90 2.729 -11.621 -1.062 1.00 0.00 N ATOM 1431 CA ASP A 90 2.047 -12.905 -1.110 1.00 0.00 C ATOM 1432 C ASP A 90 1.500 -13.160 -2.510 1.00 0.00 C ATOM 1433 O ASP A 90 1.455 -12.251 -3.338 1.00 0.00 O ATOM 1434 CB ASP A 90 0.920 -12.941 -0.074 1.00 0.00 C ATOM 1435 CG ASP A 90 0.271 -14.307 0.038 1.00 0.00 C ATOM 1436 OD1 ASP A 90 1.008 -15.314 0.085 1.00 0.00 O ATOM 1437 OD2 ASP A 90 -0.973 -14.380 0.084 1.00 0.00 O ATOM 0 H ASP A 90 2.144 -10.826 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 90 2.761 -13.694 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.317 -12.651 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.163 -12.204 -0.342 1.00 0.00 H new ATOM 1442 N LYS A 91 1.096 -14.398 -2.760 1.00 0.00 N ATOM 1443 CA LYS A 91 0.589 -14.812 -4.063 1.00 0.00 C ATOM 1444 C LYS A 91 -0.895 -14.486 -4.198 1.00 0.00 C ATOM 1445 O LYS A 91 -1.624 -14.421 -3.205 1.00 0.00 O ATOM 1446 CB LYS A 91 0.801 -16.313 -4.246 1.00 0.00 C ATOM 1447 CG LYS A 91 2.176 -16.785 -3.812 1.00 0.00 C ATOM 1448 CD LYS A 91 2.356 -18.281 -4.019 1.00 0.00 C ATOM 1449 CE LYS A 91 1.429 -19.089 -3.127 1.00 0.00 C ATOM 1450 NZ LYS A 91 1.663 -20.550 -3.265 1.00 0.00 N ATOM 0 H LYS A 91 1.110 -15.145 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 91 1.135 -14.267 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.044 -16.851 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.652 -16.568 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.939 -16.247 -4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.327 -16.544 -2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.164 -18.529 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.390 -18.555 -3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.576 -18.794 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.393 -18.862 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.011 -21.066 -2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.498 -20.836 -4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.644 -20.771 -3.000 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.334 -14.301 -5.436 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.725 -13.962 -5.729 1.00 0.00 C ATOM 1466 C ASN A 92 -3.603 -15.210 -5.682 1.00 0.00 C ATOM 1467 O ASN A 92 -4.032 -15.729 -6.714 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.823 -13.293 -7.103 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.212 -12.760 -7.416 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.021 -12.514 -6.518 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.487 -12.556 -8.697 1.00 0.00 N ATOM 0 H ASN A 92 -0.742 -14.381 -6.263 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.081 -13.265 -4.971 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.107 -12.472 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.536 -14.012 -7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.396 -12.182 -8.970 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.790 -12.773 -9.409 1.00 0.00 H new ATOM 1478 N THR A 93 -3.861 -15.690 -4.474 1.00 0.00 N ATOM 1479 CA THR A 93 -4.670 -16.882 -4.275 1.00 0.00 C ATOM 1480 C THR A 93 -6.159 -16.547 -4.196 1.00 0.00 C ATOM 1481 O THR A 93 -7.008 -17.439 -4.207 1.00 0.00 O ATOM 1482 CB THR A 93 -4.233 -17.612 -2.994 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.177 -16.687 -1.897 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.871 -18.253 -3.184 1.00 0.00 C ATOM 0 H THR A 93 -3.518 -15.268 -3.611 1.00 0.00 H new ATOM 0 HA THR A 93 -4.516 -17.532 -5.136 1.00 0.00 H new ATOM 0 HB THR A 93 -4.963 -18.391 -2.777 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.900 -17.160 -1.084 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.579 -18.765 -2.267 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.918 -18.972 -4.002 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.136 -17.483 -3.420 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.467 -15.257 -4.120 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.854 -14.801 -4.062 1.00 0.00 C ATOM 1494 C ASP A 94 -8.411 -14.581 -5.453 1.00 0.00 C ATOM 1495 O ASP A 94 -9.627 -14.540 -5.649 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.971 -13.497 -3.272 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.887 -13.708 -1.781 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -6.821 -14.134 -1.296 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -8.882 -13.428 -1.083 1.00 0.00 O ATOM 0 H ASP A 94 -5.776 -14.507 -4.097 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.428 -15.580 -3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.179 -12.816 -3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.918 -13.015 -3.513 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.500 -14.432 -6.412 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.849 -14.137 -7.797 1.00 0.00 C ATOM 1506 C ASN A 95 -8.505 -12.764 -7.909 1.00 0.00 C ATOM 1507 O ASN A 95 -9.189 -12.460 -8.889 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.758 -15.216 -8.384 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.051 -16.546 -8.559 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -8.038 -17.380 -7.655 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -7.452 -16.750 -9.719 1.00 0.00 N ATOM 0 H ASN A 95 -6.496 -14.513 -6.249 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.925 -14.127 -8.376 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.622 -15.351 -7.733 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.136 -14.881 -9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.956 -17.625 -9.890 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.486 -16.033 -10.444 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.269 -11.932 -6.903 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.851 -10.600 -6.848 1.00 0.00 C ATOM 1520 C ASN A 96 -7.772 -9.582 -6.517 1.00 0.00 C ATOM 1521 O ASN A 96 -7.149 -9.644 -5.454 1.00 0.00 O ATOM 1522 CB ASN A 96 -9.978 -10.550 -5.810 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.509 -9.145 -5.598 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.024 -8.403 -4.744 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.507 -8.769 -6.381 1.00 0.00 N ATOM 0 H ASN A 96 -7.673 -12.160 -6.108 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.277 -10.358 -7.822 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.793 -11.199 -6.131 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.612 -10.944 -4.862 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.903 -7.833 -6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.881 -9.415 -7.077 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.560 -8.649 -7.433 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.459 -7.703 -7.334 1.00 0.00 C ATOM 1534 C ALA A 97 -6.633 -6.739 -6.161 1.00 0.00 C ATOM 1535 O ALA A 97 -5.650 -6.342 -5.533 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.311 -6.940 -8.641 1.00 0.00 C ATOM 0 H ALA A 97 -8.143 -8.527 -8.261 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.548 -8.271 -7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.485 -6.234 -8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.110 -7.641 -9.451 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.232 -6.397 -8.852 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.875 -6.364 -5.861 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.139 -5.455 -4.745 1.00 0.00 C ATOM 1544 C CYS A 98 -7.680 -6.065 -3.424 1.00 0.00 C ATOM 1545 O CYS A 98 -7.017 -5.403 -2.628 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.626 -5.087 -4.648 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.298 -4.253 -6.123 1.00 0.00 S ATOM 0 H CYS A 98 -8.706 -6.670 -6.367 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.571 -4.545 -4.939 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.201 -5.995 -4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.771 -4.440 -3.783 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.005 -7.334 -3.201 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.669 -7.985 -1.942 1.00 0.00 C ATOM 1554 C HIS A 99 -6.188 -8.347 -1.916 1.00 0.00 C ATOM 1555 O HIS A 99 -5.586 -8.461 -0.852 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.528 -9.238 -1.732 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.566 -9.713 -0.305 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -8.773 -11.029 0.050 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -8.448 -9.030 0.861 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -8.782 -11.131 1.364 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.588 -9.937 1.879 1.00 0.00 N ATOM 0 H HIS A 99 -8.496 -7.927 -3.870 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.876 -7.289 -1.129 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.545 -9.030 -2.064 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.145 -10.040 -2.363 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -8.899 -11.803 -0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.276 -7.969 0.967 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.925 -12.043 1.924 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.612 -8.512 -3.099 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.198 -8.846 -3.228 1.00 0.00 C ATOM 1572 C TRP A 100 -3.324 -7.665 -2.801 1.00 0.00 C ATOM 1573 O TRP A 100 -2.459 -7.801 -1.932 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.882 -9.253 -4.672 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.480 -9.746 -4.871 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.579 -10.091 -3.903 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.824 -9.972 -6.124 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.402 -10.497 -4.477 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.528 -10.442 -5.839 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.206 -9.822 -7.460 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.384 -10.762 -6.839 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.302 -10.142 -8.451 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.020 -10.607 -8.138 1.00 0.00 C ATOM 0 H TRP A 100 -6.104 -8.420 -3.988 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.978 -9.687 -2.571 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.578 -10.033 -4.980 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.052 -8.398 -5.326 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.767 -10.050 -2.840 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.433 -10.792 -3.971 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.192 -9.462 -7.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.375 -11.120 -6.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.588 -10.032 -9.486 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.665 -10.849 -8.937 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.561 -6.507 -3.408 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.821 -5.298 -3.070 1.00 0.00 C ATOM 1596 C ALA A 101 -3.069 -4.913 -1.622 1.00 0.00 C ATOM 1597 O ALA A 101 -2.171 -4.437 -0.923 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.226 -4.159 -3.989 1.00 0.00 C ATOM 0 H ALA A 101 -4.262 -6.381 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.757 -5.495 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.666 -3.262 -3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.010 -4.431 -5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.293 -3.965 -3.880 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.296 -5.140 -1.179 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.688 -4.827 0.181 1.00 0.00 C ATOM 1606 C PHE A 102 -3.932 -5.707 1.172 1.00 0.00 C ATOM 1607 O PHE A 102 -3.638 -5.284 2.283 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.198 -4.993 0.347 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.710 -4.596 1.704 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.161 -5.552 2.603 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.747 -3.261 2.078 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.635 -5.182 3.848 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.218 -2.887 3.321 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.662 -3.848 4.207 1.00 0.00 C ATOM 0 H PHE A 102 -5.040 -5.543 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.432 -3.788 0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.705 -4.395 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.462 -6.034 0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.142 -6.596 2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.403 -2.504 1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.984 -5.935 4.539 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.239 -1.844 3.600 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.030 -3.557 5.180 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.597 -6.926 0.749 1.00 0.00 N ATOM 1625 CA ARG A 103 -2.849 -7.855 1.591 1.00 0.00 C ATOM 1626 C ARG A 103 -1.446 -7.329 1.845 1.00 0.00 C ATOM 1627 O ARG A 103 -0.969 -7.326 2.979 1.00 0.00 O ATOM 1628 CB ARG A 103 -2.767 -9.234 0.941 1.00 0.00 C ATOM 1629 CG ARG A 103 -1.984 -10.234 1.771 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.187 -11.654 1.274 1.00 0.00 C ATOM 1631 NE ARG A 103 -3.589 -12.036 1.359 1.00 0.00 N ATOM 1632 CZ ARG A 103 -4.199 -12.850 0.510 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -3.507 -13.511 -0.416 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -5.502 -13.041 0.625 1.00 0.00 N ATOM 0 H ARG A 103 -3.833 -7.292 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.377 -7.945 2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.776 -9.614 0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.301 -9.140 -0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.924 -9.984 1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.295 -10.165 2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.845 -11.735 0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.582 -12.341 1.865 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.140 -11.650 2.126 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.496 -13.394 -0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.988 -14.135 -1.064 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.024 -12.565 1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -5.985 -13.665 -0.021 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.798 -6.875 0.781 1.00 0.00 N ATOM 1649 CA GLY A 104 0.549 -6.356 0.900 1.00 0.00 C ATOM 1650 C GLY A 104 0.612 -5.153 1.818 1.00 0.00 C ATOM 1651 O GLY A 104 1.470 -5.073 2.700 1.00 0.00 O ATOM 0 H GLY A 104 -1.182 -6.857 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.207 -7.138 1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.920 -6.079 -0.087 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.319 -4.228 1.620 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.383 -3.017 2.420 1.00 0.00 C ATOM 1657 C PHE A 105 -0.734 -3.337 3.871 1.00 0.00 C ATOM 1658 O PHE A 105 -0.075 -2.866 4.795 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.402 -2.049 1.815 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.712 -0.867 2.688 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -0.695 -0.037 3.132 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -3.017 -0.578 3.056 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -0.974 1.056 3.926 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -3.299 0.513 3.853 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.275 1.332 4.288 1.00 0.00 C ATOM 0 H PHE A 105 -1.044 -4.297 0.906 1.00 0.00 H new ATOM 0 HA PHE A 105 0.599 -2.544 2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.024 -1.692 0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.326 -2.590 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.327 -0.248 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.821 -1.213 2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.172 1.696 4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.319 0.726 4.136 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.493 2.187 4.911 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.753 -4.170 4.054 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.250 -4.525 5.383 1.00 0.00 C ATOM 1677 C LYS A 106 -1.166 -5.205 6.214 1.00 0.00 C ATOM 1678 O LYS A 106 -0.965 -4.872 7.381 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.485 -5.434 5.251 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.727 -6.348 6.437 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.698 -7.461 6.079 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.052 -8.306 7.291 1.00 0.00 C ATOM 1683 NZ LYS A 106 -5.924 -7.569 8.241 1.00 0.00 N ATOM 0 H LYS A 106 -2.258 -4.618 3.289 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.536 -3.610 5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.366 -4.809 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.376 -6.045 4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.782 -6.778 6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.123 -5.769 7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.606 -7.031 5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.258 -8.095 5.309 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.557 -9.216 6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.138 -8.613 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.102 -8.160 9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -5.454 -6.688 8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.828 -7.342 7.779 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.468 -6.148 5.595 1.00 0.00 N ATOM 1698 CA CYS A 107 0.598 -6.884 6.258 1.00 0.00 C ATOM 1699 C CYS A 107 1.715 -5.946 6.704 1.00 0.00 C ATOM 1700 O CYS A 107 2.208 -6.030 7.832 1.00 0.00 O ATOM 1701 CB CYS A 107 1.143 -7.957 5.305 1.00 0.00 C ATOM 1702 SG CYS A 107 2.723 -8.711 5.820 1.00 0.00 S ATOM 0 H CYS A 107 -0.624 -6.422 4.625 1.00 0.00 H new ATOM 0 HA CYS A 107 0.194 -7.364 7.150 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.397 -8.745 5.204 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.274 -7.513 4.318 1.00 0.00 H new ATOM 1707 N PHE A 108 2.085 -5.029 5.820 1.00 0.00 N ATOM 1708 CA PHE A 108 3.227 -4.163 6.051 1.00 0.00 C ATOM 1709 C PHE A 108 2.906 -3.107 7.107 1.00 0.00 C ATOM 1710 O PHE A 108 3.679 -2.900 8.039 1.00 0.00 O ATOM 1711 CB PHE A 108 3.645 -3.506 4.737 1.00 0.00 C ATOM 1712 CG PHE A 108 5.058 -2.992 4.734 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.091 -3.794 4.275 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.355 -1.713 5.178 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.389 -3.333 4.259 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.656 -1.248 5.165 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.673 -2.059 4.703 1.00 0.00 C ATOM 0 H PHE A 108 1.607 -4.868 4.934 1.00 0.00 H new ATOM 0 HA PHE A 108 4.055 -4.764 6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.530 -4.228 3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.968 -2.679 4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 108 5.876 -4.793 3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.562 -1.074 5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.184 -3.969 3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.877 -0.251 5.516 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.690 -1.696 4.689 1.00 0.00 H new ATOM 1727 N GLN A 109 1.748 -2.465 6.975 1.00 0.00 N ATOM 1728 CA GLN A 109 1.342 -1.400 7.893 1.00 0.00 C ATOM 1729 C GLN A 109 1.067 -1.942 9.293 1.00 0.00 C ATOM 1730 O GLN A 109 1.053 -1.191 10.268 1.00 0.00 O ATOM 1731 CB GLN A 109 0.110 -0.664 7.348 1.00 0.00 C ATOM 1732 CG GLN A 109 -1.166 -1.496 7.300 1.00 0.00 C ATOM 1733 CD GLN A 109 -2.125 -1.184 8.435 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -2.176 -0.059 8.934 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -2.895 -2.177 8.852 1.00 0.00 N ATOM 0 H GLN A 109 1.071 -2.664 6.239 1.00 0.00 H new ATOM 0 HA GLN A 109 2.168 -0.693 7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.071 0.217 7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.333 -0.309 6.342 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.670 -1.323 6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.904 -2.554 7.334 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.824 -3.096 8.414 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.559 -2.023 9.611 1.00 0.00 H new ATOM 1744 N LYS A 110 0.860 -3.247 9.388 1.00 0.00 N ATOM 1745 CA LYS A 110 0.598 -3.893 10.662 1.00 0.00 C ATOM 1746 C LYS A 110 1.852 -3.907 11.535 1.00 0.00 C ATOM 1747 O LYS A 110 1.766 -3.935 12.763 1.00 0.00 O ATOM 1748 CB LYS A 110 0.109 -5.320 10.413 1.00 0.00 C ATOM 1749 CG LYS A 110 -0.233 -6.085 11.675 1.00 0.00 C ATOM 1750 CD LYS A 110 -1.457 -5.506 12.371 1.00 0.00 C ATOM 1751 CE LYS A 110 -1.827 -6.297 13.617 1.00 0.00 C ATOM 1752 NZ LYS A 110 -3.027 -5.736 14.290 1.00 0.00 N ATOM 0 H LYS A 110 0.869 -3.882 8.590 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.171 -3.331 11.191 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.772 -5.284 9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.878 -5.866 9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.416 -7.131 11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.618 -6.062 12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.263 -4.469 12.644 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.300 -5.502 11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.015 -7.336 13.346 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.987 -6.296 14.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.248 -6.302 15.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.839 -4.753 14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.835 -5.761 13.636 1.00 0.00 H new ATOM 1766 N ASN A 111 3.016 -3.869 10.899 1.00 0.00 N ATOM 1767 CA ASN A 111 4.273 -3.982 11.628 1.00 0.00 C ATOM 1768 C ASN A 111 5.183 -2.790 11.374 1.00 0.00 C ATOM 1769 O ASN A 111 5.972 -2.408 12.238 1.00 0.00 O ATOM 1770 CB ASN A 111 4.996 -5.276 11.247 1.00 0.00 C ATOM 1771 CG ASN A 111 4.151 -6.510 11.505 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.160 -7.064 12.604 1.00 0.00 O ATOM 1773 ND2 ASN A 111 3.415 -6.953 10.494 1.00 0.00 N ATOM 0 H ASN A 111 3.116 -3.762 9.890 1.00 0.00 H new ATOM 0 HA ASN A 111 4.031 -4.000 12.691 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.268 -5.240 10.192 1.00 0.00 H new ATOM 0 HB3 ASN A 111 5.924 -5.350 11.813 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.830 -7.780 10.613 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.434 -6.467 9.598 1.00 0.00 H new ATOM 1780 N ASN A 112 5.070 -2.194 10.197 1.00 0.00 N ATOM 1781 CA ASN A 112 5.978 -1.126 9.795 1.00 0.00 C ATOM 1782 C ASN A 112 5.210 0.048 9.205 1.00 0.00 C ATOM 1783 O ASN A 112 5.364 0.384 8.033 1.00 0.00 O ATOM 1784 CB ASN A 112 6.997 -1.656 8.781 1.00 0.00 C ATOM 1785 CG ASN A 112 7.941 -2.677 9.390 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.384 -2.526 10.528 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.222 -3.741 8.656 1.00 0.00 N ATOM 0 H ASN A 112 4.360 -2.430 9.503 1.00 0.00 H new ATOM 0 HA ASN A 112 6.507 -0.775 10.681 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.469 -2.109 7.942 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.575 -0.823 8.382 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.826 -4.473 9.030 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.835 -3.829 7.716 1.00 0.00 H new ATOM 1794 N LEU A 113 4.381 0.674 10.029 1.00 0.00 N ATOM 1795 CA LEU A 113 3.570 1.794 9.576 1.00 0.00 C ATOM 1796 C LEU A 113 4.368 3.094 9.644 1.00 0.00 C ATOM 1797 O LEU A 113 4.103 4.044 8.903 1.00 0.00 O ATOM 1798 CB LEU A 113 2.288 1.897 10.409 1.00 0.00 C ATOM 1799 CG LEU A 113 1.385 3.087 10.091 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.865 2.989 8.667 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.228 3.144 11.076 1.00 0.00 C ATOM 0 H LEU A 113 4.253 0.426 11.010 1.00 0.00 H new ATOM 0 HA LEU A 113 3.289 1.622 8.537 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.713 0.981 10.272 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.564 1.945 11.462 1.00 0.00 H new ATOM 0 HG LEU A 113 1.967 4.004 10.184 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.223 3.844 8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.705 2.985 7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.293 2.068 8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.409 3.996 10.840 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.354 2.225 11.007 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.617 3.252 12.088 1.00 0.00 H new ATOM 1813 N SER A 114 5.360 3.118 10.525 1.00 0.00 N ATOM 1814 CA SER A 114 6.212 4.288 10.687 1.00 0.00 C ATOM 1815 C SER A 114 7.020 4.542 9.419 1.00 0.00 C ATOM 1816 O SER A 114 7.193 5.685 9.002 1.00 0.00 O ATOM 1817 CB SER A 114 7.146 4.098 11.882 1.00 0.00 C ATOM 1818 OG SER A 114 6.417 3.734 13.042 1.00 0.00 O ATOM 0 H SER A 114 5.594 2.338 11.139 1.00 0.00 H new ATOM 0 HA SER A 114 5.578 5.156 10.871 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.882 3.327 11.654 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.697 5.020 12.068 1.00 0.00 H new ATOM 0 HG SER A 114 7.035 3.616 13.793 1.00 0.00 H new ATOM 1824 N LEU A 115 7.489 3.466 8.794 1.00 0.00 N ATOM 1825 CA LEU A 115 8.248 3.573 7.558 1.00 0.00 C ATOM 1826 C LEU A 115 7.362 4.102 6.438 1.00 0.00 C ATOM 1827 O LEU A 115 7.819 4.830 5.558 1.00 0.00 O ATOM 1828 CB LEU A 115 8.827 2.211 7.177 1.00 0.00 C ATOM 1829 CG LEU A 115 9.687 2.197 5.913 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.891 3.102 6.083 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.131 0.781 5.588 1.00 0.00 C ATOM 0 H LEU A 115 7.355 2.511 9.126 1.00 0.00 H new ATOM 0 HA LEU A 115 9.070 4.273 7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.428 1.844 8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 115 8.004 1.509 7.044 1.00 0.00 H new ATOM 0 HG LEU A 115 9.087 2.570 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.493 3.081 5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.556 4.122 6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.491 2.755 6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.742 0.789 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.715 0.383 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.255 0.153 5.427 1.00 0.00 H new ATOM 1843 N ILE A 116 6.087 3.744 6.492 1.00 0.00 N ATOM 1844 CA ILE A 116 5.121 4.204 5.513 1.00 0.00 C ATOM 1845 C ILE A 116 4.903 5.707 5.662 1.00 0.00 C ATOM 1846 O ILE A 116 4.903 6.450 4.681 1.00 0.00 O ATOM 1847 CB ILE A 116 3.777 3.456 5.661 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.980 1.955 5.421 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.737 4.019 4.702 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.708 1.144 5.535 1.00 0.00 C ATOM 0 H ILE A 116 5.699 3.132 7.210 1.00 0.00 H new ATOM 0 HA ILE A 116 5.517 3.994 4.520 1.00 0.00 H new ATOM 0 HB ILE A 116 3.409 3.600 6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.406 1.809 4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.708 1.576 6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.799 3.477 4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.577 5.075 4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.090 3.908 3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.929 0.092 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.292 1.259 6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.985 1.495 4.799 1.00 0.00 H new ATOM 1862 N LYS A 117 4.748 6.146 6.908 1.00 0.00 N ATOM 1863 CA LYS A 117 4.592 7.559 7.214 1.00 0.00 C ATOM 1864 C LYS A 117 5.845 8.336 6.823 1.00 0.00 C ATOM 1865 O LYS A 117 5.763 9.434 6.275 1.00 0.00 O ATOM 1866 CB LYS A 117 4.311 7.754 8.704 1.00 0.00 C ATOM 1867 CG LYS A 117 2.920 7.305 9.135 1.00 0.00 C ATOM 1868 CD LYS A 117 2.713 7.495 10.632 1.00 0.00 C ATOM 1869 CE LYS A 117 1.285 7.182 11.053 1.00 0.00 C ATOM 1870 NZ LYS A 117 1.100 7.319 12.521 1.00 0.00 N ATOM 0 H LYS A 117 4.727 5.536 7.725 1.00 0.00 H new ATOM 0 HA LYS A 117 3.748 7.938 6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.054 7.202 9.279 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.435 8.808 8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.167 7.872 8.587 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.779 6.255 8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.402 6.850 11.178 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.954 8.523 10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.598 7.852 10.536 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.030 6.167 10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.115 7.098 12.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.737 6.661 13.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.319 8.294 12.809 1.00 0.00 H new ATOM 1884 N ALA A 118 7.001 7.754 7.116 1.00 0.00 N ATOM 1885 CA ALA A 118 8.283 8.374 6.811 1.00 0.00 C ATOM 1886 C ALA A 118 8.524 8.462 5.309 1.00 0.00 C ATOM 1887 O ALA A 118 9.173 9.389 4.829 1.00 0.00 O ATOM 1888 CB ALA A 118 9.399 7.588 7.470 1.00 0.00 C ATOM 0 H ALA A 118 7.076 6.843 7.569 1.00 0.00 H new ATOM 0 HA ALA A 118 8.267 9.391 7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.357 8.054 7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.249 7.579 8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.394 6.565 7.095 1.00 0.00 H new ATOM 1894 N SER A 119 8.004 7.488 4.577 1.00 0.00 N ATOM 1895 CA SER A 119 8.182 7.432 3.134 1.00 0.00 C ATOM 1896 C SER A 119 7.530 8.631 2.444 1.00 0.00 C ATOM 1897 O SER A 119 8.099 9.202 1.514 1.00 0.00 O ATOM 1898 CB SER A 119 7.608 6.126 2.580 1.00 0.00 C ATOM 1899 OG SER A 119 7.940 5.959 1.212 1.00 0.00 O ATOM 0 H SER A 119 7.452 6.721 4.962 1.00 0.00 H new ATOM 0 HA SER A 119 9.252 7.468 2.927 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.992 5.284 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.524 6.124 2.697 1.00 0.00 H new ATOM 0 HG SER A 119 8.908 6.058 1.096 1.00 0.00 H new ATOM 1905 N ILE A 120 6.351 9.019 2.917 1.00 0.00 N ATOM 1906 CA ILE A 120 5.607 10.116 2.304 1.00 0.00 C ATOM 1907 C ILE A 120 5.808 11.424 3.062 1.00 0.00 C ATOM 1908 O ILE A 120 5.162 12.432 2.764 1.00 0.00 O ATOM 1909 CB ILE A 120 4.097 9.814 2.245 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.547 9.572 3.650 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.834 8.613 1.351 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.037 9.584 3.716 1.00 0.00 C ATOM 0 H ILE A 120 5.890 8.592 3.721 1.00 0.00 H new ATOM 0 HA ILE A 120 5.997 10.219 1.291 1.00 0.00 H new ATOM 0 HB ILE A 120 3.584 10.677 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 120 3.911 8.611 4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 120 3.938 10.336 4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.763 8.411 1.319 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.194 8.823 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.356 7.742 1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.716 9.406 4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.666 10.553 3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.638 8.801 3.070 1.00 0.00 H new ATOM 1924 N LYS A 121 6.693 11.404 4.046 1.00 0.00 N ATOM 1925 CA LYS A 121 6.925 12.571 4.882 1.00 0.00 C ATOM 1926 C LYS A 121 7.727 13.634 4.140 1.00 0.00 C ATOM 1927 O LYS A 121 8.777 13.351 3.562 1.00 0.00 O ATOM 1928 CB LYS A 121 7.650 12.164 6.161 1.00 0.00 C ATOM 1929 CG LYS A 121 7.884 13.315 7.125 1.00 0.00 C ATOM 1930 CD LYS A 121 8.647 12.859 8.357 1.00 0.00 C ATOM 1931 CE LYS A 121 8.854 13.999 9.341 1.00 0.00 C ATOM 1932 NZ LYS A 121 7.564 14.545 9.843 1.00 0.00 N ATOM 0 H LYS A 121 7.263 10.592 4.285 1.00 0.00 H new ATOM 0 HA LYS A 121 5.956 12.999 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 121 7.070 11.391 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.611 11.721 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.441 14.105 6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.927 13.741 7.425 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.102 12.051 8.845 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.614 12.456 8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.451 13.647 10.183 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.421 14.795 8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.741 15.145 10.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.113 15.111 9.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.936 13.761 10.110 1.00 0.00 H new ATOM 1946 N LYS A 122 7.216 14.853 4.164 1.00 0.00 N ATOM 1947 CA LYS A 122 7.900 15.990 3.572 1.00 0.00 C ATOM 1948 C LYS A 122 8.000 17.109 4.589 1.00 0.00 C ATOM 1949 O LYS A 122 7.045 17.389 5.313 1.00 0.00 O ATOM 1950 CB LYS A 122 7.164 16.490 2.330 1.00 0.00 C ATOM 1951 CG LYS A 122 8.047 16.638 1.103 1.00 0.00 C ATOM 1952 CD LYS A 122 7.243 17.109 -0.096 1.00 0.00 C ATOM 1953 CE LYS A 122 8.102 17.242 -1.344 1.00 0.00 C ATOM 1954 NZ LYS A 122 9.111 18.324 -1.218 1.00 0.00 N ATOM 0 H LYS A 122 6.319 15.082 4.592 1.00 0.00 H new ATOM 0 HA LYS A 122 8.898 15.671 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.353 15.800 2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 122 6.708 17.454 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 122 8.847 17.349 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 122 8.521 15.683 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.433 16.406 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.783 18.071 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 122 8.608 16.296 -1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.462 17.442 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 9.581 18.469 -2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.641 19.205 -0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 9.819 18.057 -0.505 1.00 0.00 H new ATOM 1968 N ASP A 123 9.162 17.726 4.662 1.00 0.00 N ATOM 1969 CA ASP A 123 9.375 18.832 5.580 1.00 0.00 C ATOM 1970 C ASP A 123 9.258 20.152 4.840 1.00 0.00 C ATOM 1971 O ASP A 123 8.158 20.740 4.848 1.00 0.00 O ATOM 1972 CB ASP A 123 10.739 18.729 6.268 1.00 0.00 C ATOM 1973 CG ASP A 123 10.842 17.532 7.190 1.00 0.00 C ATOM 1974 OD1 ASP A 123 11.626 16.606 6.888 1.00 0.00 O ATOM 1975 OD2 ASP A 123 10.145 17.509 8.227 1.00 0.00 O ATOM 1976 OXT ASP A 123 10.257 20.590 4.235 1.00 0.00 O ATOM 0 H ASP A 123 9.975 17.482 4.097 1.00 0.00 H new ATOM 0 HA ASP A 123 8.607 18.784 6.352 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.520 18.666 5.510 1.00 0.00 H new ATOM 0 HB3 ASP A 123 10.922 19.639 6.839 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.460 6.383 2.532 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.646 5.181 2.127 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.715 5.551 0.973 1.00 0.00 C HETATM 1985 C4 ACD A 201 -1.908 4.337 0.519 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.190 3.748 1.699 1.00 0.00 C HETATM 1987 C6 ACD A 201 0.024 4.138 1.978 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.647 5.256 1.187 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.893 5.742 1.871 1.00 0.00 C HETATM 1990 C9 ACD A 201 3.061 5.252 1.541 1.00 0.00 C HETATM 1991 C10 ACD A 201 3.169 4.249 0.425 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.578 3.716 0.357 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.793 2.434 0.211 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.643 1.493 0.001 1.00 0.00 C HETATM 1995 C14 ACD A 201 3.156 0.998 1.339 1.00 0.00 C HETATM 1996 C15 ACD A 201 3.022 -0.287 1.563 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.457 -1.286 0.523 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.614 -2.661 1.159 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.877 -3.732 0.104 1.00 0.00 C HETATM 2000 C19 ACD A 201 4.096 -5.093 0.761 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.231 -6.200 -0.282 1.00 0.00 C HETATM 2002 O1 ACD A 201 -4.341 6.825 3.691 1.00 0.00 O HETATM 2003 O2 ACD A 201 -5.220 6.890 1.693 1.00 0.00 O HETATM 0 H203 ACD A 201 3.322 -6.248 -0.881 1.00 0.00 H new HETATM 0 H202 ACD A 201 5.082 -5.988 -0.930 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.386 -7.155 0.219 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.994 -5.061 1.378 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.261 -5.317 1.425 1.00 0.00 H new HETATM 0 H182 ACD A 201 3.034 -3.786 -0.585 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.753 -3.462 -0.486 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.437 -2.642 1.874 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.712 -2.911 1.717 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.723 -1.330 -0.282 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.401 -0.972 0.077 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.836 1.999 -0.529 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.954 0.653 -0.620 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.468 3.431 0.589 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.900 4.715 -0.523 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.956 5.571 2.075 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.824 6.506 2.645 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.886 4.911 0.181 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.063 6.077 1.082 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.584 3.656 2.780 1.00 0.00 H new HETATM 0 H5 ACD A 201 -1.680 2.998 2.320 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.568 3.594 0.072 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.191 4.629 -0.249 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.299 5.938 0.138 1.00 0.00 H new HETATM 0 H31 ACD A 201 -2.039 6.347 1.286 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.063 4.822 2.976 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.306 4.367 1.827 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.595 -0.633 2.504 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.914 1.713 2.125 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.812 2.048 0.242 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.422 4.402 0.430 1.00 0.00 H new