USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: D 35 GLN : amide:sc= -1.48 K(o=-1.9,f=-5.1!) USER MOD Set 1.2: D 83 ASN : amide:sc= -0.455 X(o=-1.9,f=-1.7) USER MOD Set 2.1: D 71 THR OG1 : rot 134:sc= 0.243 USER MOD Set 2.2: D 74 ASN : amide:sc= 0.103 K(o=0.35,f=-2.2!) USER MOD Set 3.1: D 53 ASN : amide:sc= -3.1! K(o=-5.7!,f=-1.8) USER MOD Set 3.2: D 67 ASN : amide:sc= -2.63! C(o=-5.7!,f=-19!) USER MOD Single : D 1 ASP N :NH3+ -146:sc= 0.965 (180deg=0.162) USER MOD Single : D 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 3 GLN : amide:sc= -1.22! K(o=-1.2!,f=0) USER MOD Single : D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 9 GLN : amide:sc= -4.16! K(o=-4.2!,f=-1) USER MOD Single : D 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 11 ASN : amide:sc= 0.0363 K(o=0.036,f=-4.4!) USER MOD Single : D 12 SER OG : rot 180:sc= 0 USER MOD Single : D 14 ASN : amide:sc= 1.2 K(o=1.2,f=-0.037) USER MOD Single : D 15 SER OG : rot -24:sc= 0.624 USER MOD Single : D 17 ASN : amide:sc= -1.45 K(o=-1.5,f=-3.2) USER MOD Single : D 19 LYS NZ :NH3+ 164:sc= -0.0691 (180deg=-0.3) USER MOD Single : D 21 ASN : amide:sc= -5.22! C(o=-5.2!,f=-5.7!) USER MOD Single : D 22 LYS NZ :NH3+ 137:sc= 0.45 (180deg=-0.584) USER MOD Single : D 24 LYS NZ :NH3+ 140:sc= 0.8 (180deg=0.108) USER MOD Single : D 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 30 SER OG : rot 180:sc= -0.199 USER MOD Single : D 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 32 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.96) USER MOD Single : D 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 37 LYS NZ :NH3+ -174:sc= -0.0112 (180deg=-0.114) USER MOD Single : D 39 THR OG1 : rot 150:sc= -3.34! USER MOD Single : D 40 SER OG : rot 57:sc= 1.27 USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -9.63! C(o=-9.6!,f=-5.9!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 123:sc= 0.691 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ 169:sc= -0.468 (180deg=-0.634) USER MOD Single : D 59 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.058) USER MOD Single : D 62 LYS NZ :NH3+ -128:sc= 0.575 (180deg=-0.776) USER MOD Single : D 64 TYR OH : rot 180:sc= -0.765 USER MOD Single : D 65 THR OG1 : rot 180:sc= 0 USER MOD Single : D 69 LYS NZ :NH3+ -115:sc= 1.16 (180deg=-0.653) USER MOD Single : D 70 SER OG : rot 180:sc= 0 USER MOD Single : D 76 SER OG : rot -120:sc= -0.0987 USER MOD Single : D 77 ASN : amide:sc= -3.98! K(o=-4!,f=-0.59) USER MOD Single : D 80 ASN : amide:sc= -1.76! K(o=-1.8!,f=-0.012) USER MOD Single : D 81 LYS NZ :NH3+ -137:sc= 0.612 (180deg=0.0156) USER MOD Single : D 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ -154:sc= 1.08 (180deg=0.858) USER MOD Single : D 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 23.307 4.830 -3.170 1.00 0.00 N ATOM 2 CA ASP D 1 23.307 3.470 -2.576 1.00 0.00 C ATOM 3 C ASP D 1 22.924 3.506 -1.095 1.00 0.00 C ATOM 4 O ASP D 1 23.685 3.072 -0.229 1.00 0.00 O ATOM 5 CB ASP D 1 24.695 2.842 -2.773 1.00 0.00 C ATOM 6 CG ASP D 1 25.812 3.674 -2.186 1.00 0.00 C ATOM 7 OD1 ASP D 1 25.964 4.839 -2.600 1.00 0.00 O ATOM 8 OD2 ASP D 1 26.547 3.160 -1.321 1.00 0.00 O1- ATOM 0 H1 ASP D 1 22.997 4.776 -4.161 1.00 0.00 H new ATOM 0 H2 ASP D 1 22.656 5.442 -2.637 1.00 0.00 H new ATOM 0 H3 ASP D 1 24.267 5.227 -3.128 1.00 0.00 H new ATOM 0 HA ASP D 1 22.557 2.860 -3.080 1.00 0.00 H new ATOM 0 HB2 ASP D 1 24.708 1.853 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP D 1 24.876 2.702 -3.839 1.00 0.00 H new ATOM 13 N ASN D 2 21.703 3.970 -0.829 1.00 0.00 N ATOM 14 CA ASN D 2 21.142 4.013 0.528 1.00 0.00 C ATOM 15 C ASN D 2 21.959 4.890 1.472 1.00 0.00 C ATOM 16 O ASN D 2 21.900 4.717 2.689 1.00 0.00 O ATOM 17 CB ASN D 2 21.009 2.604 1.117 1.00 0.00 C ATOM 18 CG ASN D 2 20.063 1.733 0.322 1.00 0.00 C ATOM 19 OD1 ASN D 2 18.892 2.066 0.158 1.00 0.00 O ATOM 20 ND2 ASN D 2 20.560 0.610 -0.175 1.00 0.00 N ATOM 0 H ASN D 2 21.072 4.328 -1.546 1.00 0.00 H new ATOM 0 HA ASN D 2 20.152 4.458 0.434 1.00 0.00 H new ATOM 0 HB2 ASN D 2 21.991 2.133 1.150 1.00 0.00 H new ATOM 0 HB3 ASN D 2 20.655 2.675 2.146 1.00 0.00 H new ATOM 0 HD21 ASN D 2 19.964 -0.015 -0.717 1.00 0.00 H new ATOM 0 HD22 ASN D 2 21.539 0.371 -0.015 1.00 0.00 H new ATOM 27 N GLN D 3 22.633 5.894 0.929 1.00 0.00 N ATOM 28 CA GLN D 3 23.348 6.856 1.759 1.00 0.00 C ATOM 29 C GLN D 3 22.460 8.053 2.060 1.00 0.00 C ATOM 30 O GLN D 3 22.259 8.410 3.218 1.00 0.00 O ATOM 31 CB GLN D 3 24.640 7.319 1.086 1.00 0.00 C ATOM 32 CG GLN D 3 25.648 6.205 0.860 1.00 0.00 C ATOM 33 CD GLN D 3 26.936 6.699 0.232 1.00 0.00 C ATOM 34 OE1 GLN D 3 27.862 5.924 0.003 1.00 0.00 O ATOM 35 NE2 GLN D 3 27.009 7.993 -0.050 1.00 0.00 N ATOM 0 H GLN D 3 22.700 6.064 -0.074 1.00 0.00 H new ATOM 0 HA GLN D 3 23.612 6.361 2.693 1.00 0.00 H new ATOM 0 HB2 GLN D 3 24.396 7.775 0.127 1.00 0.00 H new ATOM 0 HB3 GLN D 3 25.100 8.094 1.699 1.00 0.00 H new ATOM 0 HG2 GLN D 3 25.874 5.726 1.813 1.00 0.00 H new ATOM 0 HG3 GLN D 3 25.204 5.444 0.218 1.00 0.00 H new ATOM 0 HE21 GLN D 3 26.219 8.605 0.155 1.00 0.00 H new ATOM 0 HE22 GLN D 3 27.855 8.376 -0.472 1.00 0.00 H new ATOM 44 N LYS D 4 21.828 8.587 1.026 1.00 0.00 N ATOM 45 CA LYS D 4 20.849 9.645 1.206 1.00 0.00 C ATOM 46 C LYS D 4 19.463 9.116 0.889 1.00 0.00 C ATOM 47 O LYS D 4 18.493 9.872 0.819 1.00 0.00 O ATOM 48 CB LYS D 4 21.165 10.855 0.322 1.00 0.00 C ATOM 49 CG LYS D 4 21.249 10.531 -1.163 1.00 0.00 C ATOM 50 CD LYS D 4 21.382 11.791 -2.003 1.00 0.00 C ATOM 51 CE LYS D 4 20.163 12.689 -1.838 1.00 0.00 C ATOM 52 NZ LYS D 4 20.249 13.923 -2.661 1.00 0.00 N1+ ATOM 0 H LYS D 4 21.976 8.305 0.057 1.00 0.00 H new ATOM 0 HA LYS D 4 20.887 9.973 2.245 1.00 0.00 H new ATOM 0 HB2 LYS D 4 20.398 11.614 0.475 1.00 0.00 H new ATOM 0 HB3 LYS D 4 22.112 11.289 0.643 1.00 0.00 H new ATOM 0 HG2 LYS D 4 22.103 9.879 -1.346 1.00 0.00 H new ATOM 0 HG3 LYS D 4 20.358 9.982 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS D 4 22.280 12.334 -1.710 1.00 0.00 H new ATOM 0 HD3 LYS D 4 21.500 11.522 -3.053 1.00 0.00 H new ATOM 0 HE2 LYS D 4 19.267 12.134 -2.114 1.00 0.00 H new ATOM 0 HE3 LYS D 4 20.057 12.963 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 19.396 14.499 -2.513 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 21.089 14.469 -2.381 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 20.323 13.666 -3.666 1.00 0.00 H new ATOM 66 N ALA D 5 19.385 7.810 0.662 1.00 0.00 N ATOM 67 CA ALA D 5 18.129 7.174 0.309 1.00 0.00 C ATOM 68 C ALA D 5 17.316 6.833 1.551 1.00 0.00 C ATOM 69 O ALA D 5 17.149 5.664 1.895 1.00 0.00 O ATOM 70 CB ALA D 5 18.379 5.921 -0.517 1.00 0.00 C ATOM 0 H ALA D 5 20.180 7.173 0.717 1.00 0.00 H new ATOM 0 HA ALA D 5 17.554 7.881 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA D 5 17.426 5.457 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA D 5 18.909 6.188 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA D 5 18.981 5.219 0.060 1.00 0.00 H new ATOM 76 N LEU D 6 16.799 7.857 2.217 1.00 0.00 N ATOM 77 CA LEU D 6 15.987 7.655 3.411 1.00 0.00 C ATOM 78 C LEU D 6 14.510 7.863 3.108 1.00 0.00 C ATOM 79 O LEU D 6 13.676 7.792 4.002 1.00 0.00 O ATOM 80 CB LEU D 6 16.402 8.598 4.557 1.00 0.00 C ATOM 81 CG LEU D 6 17.772 8.343 5.206 1.00 0.00 C ATOM 82 CD1 LEU D 6 17.867 6.915 5.715 1.00 0.00 C ATOM 83 CD2 LEU D 6 18.915 8.652 4.253 1.00 0.00 C ATOM 0 H LEU D 6 16.927 8.834 1.952 1.00 0.00 H new ATOM 0 HA LEU D 6 16.154 6.626 3.729 1.00 0.00 H new ATOM 0 HB2 LEU D 6 16.392 9.619 4.176 1.00 0.00 H new ATOM 0 HB3 LEU D 6 15.642 8.540 5.336 1.00 0.00 H new ATOM 0 HG LEU D 6 17.863 9.021 6.054 1.00 0.00 H new ATOM 0 HD11 LEU D 6 18.844 6.755 6.171 1.00 0.00 H new ATOM 0 HD12 LEU D 6 17.088 6.741 6.457 1.00 0.00 H new ATOM 0 HD13 LEU D 6 17.737 6.223 4.883 1.00 0.00 H new ATOM 0 HD21 LEU D 6 19.866 8.459 4.750 1.00 0.00 H new ATOM 0 HD22 LEU D 6 18.833 8.020 3.369 1.00 0.00 H new ATOM 0 HD23 LEU D 6 18.868 9.700 3.955 1.00 0.00 H new ATOM 95 N GLU D 7 14.193 8.176 1.858 1.00 0.00 N ATOM 96 CA GLU D 7 12.817 8.468 1.466 1.00 0.00 C ATOM 97 C GLU D 7 11.919 7.230 1.508 1.00 0.00 C ATOM 98 O GLU D 7 10.714 7.333 1.280 1.00 0.00 O ATOM 99 CB GLU D 7 12.748 9.106 0.068 1.00 0.00 C ATOM 100 CG GLU D 7 13.320 8.255 -1.064 1.00 0.00 C ATOM 101 CD GLU D 7 14.833 8.219 -1.108 1.00 0.00 C ATOM 102 OE1 GLU D 7 15.376 7.485 -1.952 1.00 0.00 O ATOM 103 OE2 GLU D 7 15.477 8.957 -0.335 1.00 0.00 O1- ATOM 0 H GLU D 7 14.869 8.235 1.097 1.00 0.00 H new ATOM 0 HA GLU D 7 12.444 9.181 2.201 1.00 0.00 H new ATOM 0 HB2 GLU D 7 11.706 9.332 -0.160 1.00 0.00 H new ATOM 0 HB3 GLU D 7 13.282 10.056 0.093 1.00 0.00 H new ATOM 0 HG2 GLU D 7 12.946 7.236 -0.963 1.00 0.00 H new ATOM 0 HG3 GLU D 7 12.949 8.638 -2.015 1.00 0.00 H new ATOM 110 N GLU D 8 12.479 6.084 1.872 1.00 0.00 N ATOM 111 CA GLU D 8 11.689 4.868 2.010 1.00 0.00 C ATOM 112 C GLU D 8 11.124 4.787 3.415 1.00 0.00 C ATOM 113 O GLU D 8 9.940 4.532 3.622 1.00 0.00 O ATOM 114 CB GLU D 8 12.528 3.630 1.672 1.00 0.00 C ATOM 115 CG GLU D 8 13.823 3.510 2.460 1.00 0.00 C ATOM 116 CD GLU D 8 14.599 2.265 2.102 1.00 0.00 C ATOM 117 OE1 GLU D 8 15.688 2.062 2.663 1.00 0.00 O ATOM 118 OE2 GLU D 8 14.117 1.481 1.259 1.00 0.00 O1- ATOM 0 H GLU D 8 13.472 5.971 2.076 1.00 0.00 H new ATOM 0 HA GLU D 8 10.860 4.898 1.303 1.00 0.00 H new ATOM 0 HB2 GLU D 8 11.926 2.739 1.850 1.00 0.00 H new ATOM 0 HB3 GLU D 8 12.765 3.647 0.608 1.00 0.00 H new ATOM 0 HG2 GLU D 8 14.442 4.387 2.273 1.00 0.00 H new ATOM 0 HG3 GLU D 8 13.597 3.501 3.526 1.00 0.00 H new ATOM 125 N GLN D 9 11.957 5.164 4.353 1.00 0.00 N ATOM 126 CA GLN D 9 11.570 5.308 5.737 1.00 0.00 C ATOM 127 C GLN D 9 11.026 6.724 5.996 1.00 0.00 C ATOM 128 O GLN D 9 10.738 7.108 7.129 1.00 0.00 O ATOM 129 CB GLN D 9 12.809 4.924 6.584 1.00 0.00 C ATOM 130 CG GLN D 9 12.949 5.568 7.953 1.00 0.00 C ATOM 131 CD GLN D 9 13.549 6.966 7.887 1.00 0.00 C ATOM 132 OE1 GLN D 9 13.718 7.622 8.913 1.00 0.00 O ATOM 133 NE2 GLN D 9 13.888 7.429 6.681 1.00 0.00 N ATOM 0 H GLN D 9 12.937 5.383 4.175 1.00 0.00 H new ATOM 0 HA GLN D 9 10.748 4.649 6.017 1.00 0.00 H new ATOM 0 HB2 GLN D 9 12.802 3.843 6.720 1.00 0.00 H new ATOM 0 HB3 GLN D 9 13.700 5.166 6.005 1.00 0.00 H new ATOM 0 HG2 GLN D 9 11.969 5.620 8.427 1.00 0.00 H new ATOM 0 HG3 GLN D 9 13.576 4.938 8.584 1.00 0.00 H new ATOM 0 HE21 GLN D 9 13.732 6.855 5.852 1.00 0.00 H new ATOM 0 HE22 GLN D 9 14.303 8.356 6.589 1.00 0.00 H new ATOM 142 N MET D 10 10.896 7.507 4.929 1.00 0.00 N ATOM 143 CA MET D 10 10.430 8.889 5.052 1.00 0.00 C ATOM 144 C MET D 10 8.971 9.037 4.633 1.00 0.00 C ATOM 145 O MET D 10 8.080 9.104 5.475 1.00 0.00 O ATOM 146 CB MET D 10 11.315 9.807 4.204 1.00 0.00 C ATOM 147 CG MET D 10 10.923 11.272 4.248 1.00 0.00 C ATOM 148 SD MET D 10 11.973 12.287 3.193 1.00 0.00 S ATOM 149 CE MET D 10 11.232 13.897 3.428 1.00 0.00 C ATOM 0 H MET D 10 11.105 7.213 3.975 1.00 0.00 H new ATOM 0 HA MET D 10 10.499 9.174 6.102 1.00 0.00 H new ATOM 0 HB2 MET D 10 12.347 9.709 4.541 1.00 0.00 H new ATOM 0 HB3 MET D 10 11.284 9.466 3.169 1.00 0.00 H new ATOM 0 HG2 MET D 10 9.884 11.378 3.935 1.00 0.00 H new ATOM 0 HG3 MET D 10 10.985 11.633 5.275 1.00 0.00 H new ATOM 0 HE1 MET D 10 11.773 14.636 2.837 1.00 0.00 H new ATOM 0 HE2 MET D 10 10.190 13.868 3.108 1.00 0.00 H new ATOM 0 HE3 MET D 10 11.280 14.169 4.482 1.00 0.00 H new ATOM 159 N ASN D 11 8.722 9.027 3.332 1.00 0.00 N ATOM 160 CA ASN D 11 7.360 9.095 2.823 1.00 0.00 C ATOM 161 C ASN D 11 6.891 7.743 2.398 1.00 0.00 C ATOM 162 O ASN D 11 5.717 7.433 2.486 1.00 0.00 O ATOM 163 CB ASN D 11 7.220 10.029 1.623 1.00 0.00 C ATOM 164 CG ASN D 11 8.300 9.835 0.575 1.00 0.00 C ATOM 165 OD1 ASN D 11 9.483 10.045 0.839 1.00 0.00 O ATOM 166 ND2 ASN D 11 7.900 9.427 -0.621 1.00 0.00 N ATOM 0 H ASN D 11 9.442 8.973 2.612 1.00 0.00 H new ATOM 0 HA ASN D 11 6.757 9.483 3.644 1.00 0.00 H new ATOM 0 HB2 ASN D 11 6.245 9.871 1.162 1.00 0.00 H new ATOM 0 HB3 ASN D 11 7.244 11.061 1.972 1.00 0.00 H new ATOM 0 HD21 ASN D 11 8.583 9.276 -1.363 1.00 0.00 H new ATOM 0 HD22 ASN D 11 6.909 9.264 -0.799 1.00 0.00 H new ATOM 173 N SER D 12 7.787 7.041 1.758 1.00 0.00 N ATOM 174 CA SER D 12 7.472 5.806 1.091 1.00 0.00 C ATOM 175 C SER D 12 6.482 4.951 1.878 1.00 0.00 C ATOM 176 O SER D 12 5.396 4.633 1.400 1.00 0.00 O ATOM 177 CB SER D 12 8.770 5.039 0.908 1.00 0.00 C ATOM 178 OG SER D 12 8.564 3.781 0.291 1.00 0.00 O ATOM 0 H SER D 12 8.767 7.313 1.684 1.00 0.00 H new ATOM 0 HA SER D 12 6.999 6.036 0.136 1.00 0.00 H new ATOM 0 HB2 SER D 12 9.458 5.630 0.303 1.00 0.00 H new ATOM 0 HB3 SER D 12 9.244 4.893 1.879 1.00 0.00 H new ATOM 0 HG SER D 12 9.424 3.321 0.190 1.00 0.00 H new ATOM 184 N ILE D 13 6.934 4.498 3.034 1.00 0.00 N ATOM 185 CA ILE D 13 6.183 3.566 3.857 1.00 0.00 C ATOM 186 C ILE D 13 5.303 4.298 4.866 1.00 0.00 C ATOM 187 O ILE D 13 4.437 3.709 5.510 1.00 0.00 O ATOM 188 CB ILE D 13 7.177 2.646 4.574 1.00 0.00 C ATOM 189 CG1 ILE D 13 8.087 2.013 3.541 1.00 0.00 C ATOM 190 CG2 ILE D 13 6.468 1.574 5.391 1.00 0.00 C ATOM 191 CD1 ILE D 13 7.369 1.099 2.572 1.00 0.00 C ATOM 0 H ILE D 13 7.835 4.767 3.430 1.00 0.00 H new ATOM 0 HA ILE D 13 5.519 2.979 3.223 1.00 0.00 H new ATOM 0 HB ILE D 13 7.763 3.241 5.274 1.00 0.00 H new ATOM 0 HG12 ILE D 13 8.587 2.802 2.979 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.864 1.445 4.054 1.00 0.00 H new ATOM 0 HG21 ILE D 13 7.208 0.943 5.883 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.837 2.048 6.143 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.851 0.963 4.732 1.00 0.00 H new ATOM 0 HD11 ILE D 13 8.086 0.684 1.864 1.00 0.00 H new ATOM 0 HD12 ILE D 13 6.892 0.288 3.122 1.00 0.00 H new ATOM 0 HD13 ILE D 13 6.611 1.666 2.031 1.00 0.00 H new ATOM 203 N ASN D 14 5.498 5.595 4.968 1.00 0.00 N ATOM 204 CA ASN D 14 4.671 6.408 5.865 1.00 0.00 C ATOM 205 C ASN D 14 3.501 7.066 5.131 1.00 0.00 C ATOM 206 O ASN D 14 2.333 6.844 5.471 1.00 0.00 O ATOM 207 CB ASN D 14 5.499 7.463 6.593 1.00 0.00 C ATOM 208 CG ASN D 14 6.491 6.849 7.561 1.00 0.00 C ATOM 209 OD1 ASN D 14 6.109 6.130 8.486 1.00 0.00 O ATOM 210 ND2 ASN D 14 7.768 7.132 7.366 1.00 0.00 N ATOM 0 H ASN D 14 6.209 6.114 4.453 1.00 0.00 H new ATOM 0 HA ASN D 14 4.258 5.724 6.607 1.00 0.00 H new ATOM 0 HB2 ASN D 14 6.035 8.069 5.862 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.833 8.134 7.136 1.00 0.00 H new ATOM 0 HD21 ASN D 14 8.476 6.751 7.993 1.00 0.00 H new ATOM 0 HD22 ASN D 14 8.045 7.731 6.588 1.00 0.00 H new ATOM 217 N SER D 15 3.798 7.883 4.127 1.00 0.00 N ATOM 218 CA SER D 15 2.744 8.556 3.382 1.00 0.00 C ATOM 219 C SER D 15 1.919 7.551 2.589 1.00 0.00 C ATOM 220 O SER D 15 0.784 7.839 2.249 1.00 0.00 O ATOM 221 CB SER D 15 3.282 9.650 2.454 1.00 0.00 C ATOM 222 OG SER D 15 4.083 9.115 1.411 1.00 0.00 O ATOM 0 H SER D 15 4.746 8.093 3.814 1.00 0.00 H new ATOM 0 HA SER D 15 2.105 9.045 4.118 1.00 0.00 H new ATOM 0 HB2 SER D 15 2.447 10.203 2.023 1.00 0.00 H new ATOM 0 HB3 SER D 15 3.870 10.361 3.034 1.00 0.00 H new ATOM 0 HG SER D 15 4.443 8.247 1.688 1.00 0.00 H new ATOM 228 N VAL D 16 2.449 6.336 2.388 1.00 0.00 N ATOM 229 CA VAL D 16 1.685 5.265 1.737 1.00 0.00 C ATOM 230 C VAL D 16 0.342 5.076 2.435 1.00 0.00 C ATOM 231 O VAL D 16 -0.661 4.729 1.817 1.00 0.00 O ATOM 232 CB VAL D 16 2.439 3.914 1.766 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.682 3.447 3.176 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.668 2.851 1.014 1.00 0.00 C ATOM 0 H VAL D 16 3.395 6.073 2.664 1.00 0.00 H new ATOM 0 HA VAL D 16 1.541 5.567 0.699 1.00 0.00 H new ATOM 0 HB VAL D 16 3.402 4.075 1.281 1.00 0.00 H new ATOM 0 HG11 VAL D 16 3.213 2.496 3.158 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.281 4.187 3.706 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.727 3.320 3.687 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.218 1.910 1.048 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.690 2.717 1.475 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.541 3.159 -0.024 1.00 0.00 H new ATOM 244 N ASN D 17 0.340 5.372 3.722 1.00 0.00 N ATOM 245 CA ASN D 17 -0.867 5.292 4.533 1.00 0.00 C ATOM 246 C ASN D 17 -1.763 6.462 4.224 1.00 0.00 C ATOM 247 O ASN D 17 -2.967 6.317 4.130 1.00 0.00 O ATOM 248 CB ASN D 17 -0.540 5.299 6.032 1.00 0.00 C ATOM 249 CG ASN D 17 0.276 4.107 6.487 1.00 0.00 C ATOM 250 OD1 ASN D 17 1.369 3.859 5.987 1.00 0.00 O ATOM 251 ND2 ASN D 17 -0.236 3.381 7.467 1.00 0.00 N ATOM 0 H ASN D 17 1.169 5.673 4.235 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.368 4.354 4.292 1.00 0.00 H new ATOM 0 HB2 ASN D 17 0.005 6.212 6.271 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.472 5.326 6.597 1.00 0.00 H new ATOM 0 HD21 ASN D 17 0.281 2.582 7.834 1.00 0.00 H new ATOM 0 HD22 ASN D 17 -1.148 3.620 7.856 1.00 0.00 H new ATOM 258 N ASP D 18 -1.155 7.622 4.075 1.00 0.00 N ATOM 259 CA ASP D 18 -1.882 8.857 3.779 1.00 0.00 C ATOM 260 C ASP D 18 -2.702 8.764 2.482 1.00 0.00 C ATOM 261 O ASP D 18 -3.573 9.600 2.241 1.00 0.00 O ATOM 262 CB ASP D 18 -0.889 10.024 3.672 1.00 0.00 C ATOM 263 CG ASP D 18 -0.197 10.335 4.980 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.462 9.436 5.539 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.301 11.482 5.443 1.00 0.00 O1- ATOM 0 H ASP D 18 -0.145 7.743 4.154 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.583 9.023 4.597 1.00 0.00 H new ATOM 0 HB2 ASP D 18 -0.138 9.787 2.918 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.418 10.913 3.327 1.00 0.00 H new ATOM 270 N LYS D 19 -2.409 7.774 1.637 1.00 0.00 N ATOM 271 CA LYS D 19 -3.104 7.612 0.365 1.00 0.00 C ATOM 272 C LYS D 19 -4.356 6.817 0.612 1.00 0.00 C ATOM 273 O LYS D 19 -5.412 7.040 0.023 1.00 0.00 O ATOM 274 CB LYS D 19 -2.240 6.813 -0.594 1.00 0.00 C ATOM 275 CG LYS D 19 -0.780 7.094 -0.430 1.00 0.00 C ATOM 276 CD LYS D 19 -0.485 8.565 -0.457 1.00 0.00 C ATOM 277 CE LYS D 19 1.001 8.819 -0.343 1.00 0.00 C ATOM 278 NZ LYS D 19 1.768 8.240 -1.481 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.691 7.071 1.814 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.325 8.593 -0.056 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.420 5.749 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -2.536 7.040 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -0.433 6.672 0.513 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -0.224 6.598 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS D 19 -0.862 8.999 -1.383 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -1.007 9.060 0.362 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.180 9.893 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS D 19 1.368 8.395 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 2.719 8.659 -1.508 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 1.847 7.210 -1.358 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.274 8.445 -2.373 1.00 0.00 H new ATOM 292 N LEU D 20 -4.127 5.803 1.416 1.00 0.00 N ATOM 293 CA LEU D 20 -5.082 4.774 1.748 1.00 0.00 C ATOM 294 C LEU D 20 -6.046 5.264 2.810 1.00 0.00 C ATOM 295 O LEU D 20 -7.243 5.000 2.762 1.00 0.00 O ATOM 296 CB LEU D 20 -4.266 3.623 2.287 1.00 0.00 C ATOM 297 CG LEU D 20 -3.160 3.145 1.345 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.309 2.078 1.994 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.753 2.626 0.046 1.00 0.00 C ATOM 0 H LEU D 20 -3.227 5.669 1.877 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.676 4.486 0.880 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.817 3.922 3.234 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.933 2.788 2.500 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.520 3.999 1.124 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.532 1.759 1.299 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.847 2.480 2.896 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.934 1.224 2.256 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.951 2.290 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.421 1.791 0.259 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.313 3.423 -0.443 1.00 0.00 H new ATOM 311 N ASN D 21 -5.507 6.030 3.737 1.00 0.00 N ATOM 312 CA ASN D 21 -6.290 6.647 4.784 1.00 0.00 C ATOM 313 C ASN D 21 -7.056 7.826 4.211 1.00 0.00 C ATOM 314 O ASN D 21 -6.442 8.822 3.824 1.00 0.00 O ATOM 315 CB ASN D 21 -5.375 7.097 5.929 1.00 0.00 C ATOM 316 CG ASN D 21 -4.941 5.939 6.808 1.00 0.00 C ATOM 317 OD1 ASN D 21 -5.769 5.289 7.440 1.00 0.00 O ATOM 318 ND2 ASN D 21 -3.650 5.656 6.843 1.00 0.00 N ATOM 0 H ASN D 21 -4.510 6.242 3.784 1.00 0.00 H new ATOM 0 HA ASN D 21 -7.002 5.924 5.183 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.493 7.587 5.516 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -5.895 7.837 6.537 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.314 4.876 7.408 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -2.990 6.218 6.305 1.00 0.00 H new ATOM 325 N LYS D 22 -8.335 7.622 3.906 1.00 0.00 N ATOM 326 CA LYS D 22 -9.035 8.607 3.083 1.00 0.00 C ATOM 327 C LYS D 22 -10.246 9.216 3.779 1.00 0.00 C ATOM 328 O LYS D 22 -10.512 10.410 3.633 1.00 0.00 O ATOM 329 CB LYS D 22 -9.454 7.965 1.762 1.00 0.00 C ATOM 330 CG LYS D 22 -8.312 7.212 1.096 1.00 0.00 C ATOM 331 CD LYS D 22 -8.662 6.737 -0.300 1.00 0.00 C ATOM 332 CE LYS D 22 -8.790 7.908 -1.250 1.00 0.00 C ATOM 333 NZ LYS D 22 -7.524 8.686 -1.331 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.890 6.819 4.201 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.339 9.426 2.901 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -10.282 7.279 1.941 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -9.820 8.737 1.086 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.436 7.858 1.047 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -8.041 6.354 1.710 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -7.893 6.053 -0.660 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.598 6.179 -0.275 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -9.059 7.545 -2.242 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -9.598 8.560 -0.919 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -7.329 8.929 -2.323 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -7.616 9.558 -0.773 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -6.741 8.115 -0.954 1.00 0.00 H new ATOM 347 N GLY D 23 -11.006 8.397 4.485 1.00 0.00 N ATOM 348 CA GLY D 23 -12.194 8.883 5.127 1.00 0.00 C ATOM 349 C GLY D 23 -13.186 7.781 5.407 1.00 0.00 C ATOM 350 O GLY D 23 -13.314 7.338 6.547 1.00 0.00 O ATOM 0 H GLY D 23 -10.817 7.404 4.622 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -11.924 9.372 6.063 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -12.662 9.638 4.496 1.00 0.00 H new ATOM 354 N LYS D 24 -13.844 7.292 4.356 1.00 0.00 N ATOM 355 CA LYS D 24 -14.771 6.177 4.497 1.00 0.00 C ATOM 356 C LYS D 24 -13.998 4.953 4.948 1.00 0.00 C ATOM 357 O LYS D 24 -14.163 4.471 6.065 1.00 0.00 O ATOM 358 CB LYS D 24 -15.489 5.893 3.186 1.00 0.00 C ATOM 359 CG LYS D 24 -16.626 4.906 3.344 1.00 0.00 C ATOM 360 CD LYS D 24 -17.552 4.968 2.159 1.00 0.00 C ATOM 361 CE LYS D 24 -18.705 3.977 2.272 1.00 0.00 C ATOM 362 NZ LYS D 24 -19.624 4.051 1.104 1.00 0.00 N1+ ATOM 0 H LYS D 24 -13.751 7.650 3.405 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.527 6.433 5.239 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -15.878 6.827 2.780 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.774 5.504 2.462 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.227 3.897 3.448 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -17.180 5.125 4.257 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.952 5.978 2.066 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -16.988 4.763 1.249 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -18.306 2.966 2.355 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.265 4.175 3.186 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -19.918 3.091 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -20.463 4.612 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -19.134 4.502 0.305 1.00 0.00 H new ATOM 376 N GLY D 25 -13.069 4.540 4.106 1.00 0.00 N ATOM 377 CA GLY D 25 -12.174 3.470 4.447 1.00 0.00 C ATOM 378 C GLY D 25 -10.734 3.855 4.250 1.00 0.00 C ATOM 379 O GLY D 25 -10.434 4.932 3.730 1.00 0.00 O ATOM 0 H GLY D 25 -12.921 4.937 3.178 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.333 3.182 5.486 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.403 2.597 3.835 1.00 0.00 H new ATOM 383 N LYS D 26 -9.859 3.072 4.845 1.00 0.00 N ATOM 384 CA LYS D 26 -8.451 3.418 4.923 1.00 0.00 C ATOM 385 C LYS D 26 -7.574 2.186 4.974 1.00 0.00 C ATOM 386 O LYS D 26 -8.040 1.114 5.325 1.00 0.00 O ATOM 387 CB LYS D 26 -8.271 4.266 6.146 1.00 0.00 C ATOM 388 CG LYS D 26 -9.123 3.753 7.256 1.00 0.00 C ATOM 389 CD LYS D 26 -9.258 4.779 8.361 1.00 0.00 C ATOM 390 CE LYS D 26 -9.859 6.068 7.827 1.00 0.00 C ATOM 391 NZ LYS D 26 -10.197 7.013 8.919 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.099 2.184 5.286 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.148 3.964 4.030 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.224 4.262 6.449 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.535 5.300 5.923 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.110 3.497 6.872 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.689 2.837 7.657 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -9.887 4.382 9.158 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.280 4.981 8.797 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -9.155 6.541 7.142 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.757 5.840 7.253 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -10.604 7.880 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -10.888 6.572 9.559 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.336 7.251 9.451 1.00 0.00 H new ATOM 405 N LEU D 27 -6.306 2.342 4.654 1.00 0.00 N ATOM 406 CA LEU D 27 -5.372 1.230 4.694 1.00 0.00 C ATOM 407 C LEU D 27 -4.039 1.651 5.321 1.00 0.00 C ATOM 408 O LEU D 27 -3.668 2.823 5.296 1.00 0.00 O ATOM 409 CB LEU D 27 -5.190 0.669 3.293 1.00 0.00 C ATOM 410 CG LEU D 27 -4.107 -0.394 3.135 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.382 -1.597 4.018 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.997 -0.832 1.685 1.00 0.00 C ATOM 0 H LEU D 27 -5.895 3.229 4.362 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.779 0.442 5.328 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.139 0.244 2.967 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -4.962 1.495 2.619 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.161 0.050 3.446 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.592 -2.336 3.882 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.410 -1.284 5.062 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.341 -2.037 3.745 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.220 -1.590 1.592 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.950 -1.247 1.357 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.742 0.027 1.064 1.00 0.00 H new ATOM 424 N SER D 28 -3.405 0.703 5.995 1.00 0.00 N ATOM 425 CA SER D 28 -2.199 0.947 6.773 1.00 0.00 C ATOM 426 C SER D 28 -1.231 -0.204 6.592 1.00 0.00 C ATOM 427 O SER D 28 -1.662 -1.345 6.454 1.00 0.00 O ATOM 428 CB SER D 28 -2.573 1.050 8.247 1.00 0.00 C ATOM 429 OG SER D 28 -3.510 2.094 8.478 1.00 0.00 O ATOM 0 H SER D 28 -3.717 -0.268 6.017 1.00 0.00 H new ATOM 0 HA SER D 28 -1.731 1.872 6.436 1.00 0.00 H new ATOM 0 HB2 SER D 28 -2.993 0.102 8.583 1.00 0.00 H new ATOM 0 HB3 SER D 28 -1.675 1.229 8.839 1.00 0.00 H new ATOM 0 HG SER D 28 -3.729 2.131 9.432 1.00 0.00 H new ATOM 435 N LEU D 29 0.066 0.077 6.529 1.00 0.00 N ATOM 436 CA LEU D 29 1.021 -0.988 6.288 1.00 0.00 C ATOM 437 C LEU D 29 2.292 -0.800 7.108 1.00 0.00 C ATOM 438 O LEU D 29 2.753 0.323 7.322 1.00 0.00 O ATOM 439 CB LEU D 29 1.375 -1.077 4.802 1.00 0.00 C ATOM 440 CG LEU D 29 0.290 -0.581 3.839 1.00 0.00 C ATOM 441 CD1 LEU D 29 0.365 0.928 3.684 1.00 0.00 C ATOM 442 CD2 LEU D 29 0.395 -1.272 2.489 1.00 0.00 C ATOM 0 H LEU D 29 0.468 1.008 6.639 1.00 0.00 H new ATOM 0 HA LEU D 29 0.547 -1.919 6.599 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.284 -0.501 4.627 1.00 0.00 H new ATOM 0 HB3 LEU D 29 1.604 -2.115 4.562 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.681 -0.834 4.264 1.00 0.00 H new ATOM 0 HD11 LEU D 29 -0.412 1.262 2.997 1.00 0.00 H new ATOM 0 HD12 LEU D 29 0.219 1.401 4.655 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.342 1.205 3.289 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -0.387 -0.900 1.828 1.00 0.00 H new ATOM 0 HD22 LEU D 29 1.371 -1.065 2.049 1.00 0.00 H new ATOM 0 HD23 LEU D 29 0.277 -2.348 2.621 1.00 0.00 H new ATOM 454 N SER D 30 2.890 -1.916 7.493 1.00 0.00 N ATOM 455 CA SER D 30 4.153 -1.918 8.211 1.00 0.00 C ATOM 456 C SER D 30 4.871 -3.247 7.992 1.00 0.00 C ATOM 457 O SER D 30 4.415 -4.087 7.213 1.00 0.00 O ATOM 458 CB SER D 30 3.921 -1.673 9.708 1.00 0.00 C ATOM 459 OG SER D 30 3.040 -2.641 10.262 1.00 0.00 O ATOM 0 H SER D 30 2.512 -2.847 7.316 1.00 0.00 H new ATOM 0 HA SER D 30 4.778 -1.112 7.827 1.00 0.00 H new ATOM 0 HB2 SER D 30 4.875 -1.703 10.235 1.00 0.00 H new ATOM 0 HB3 SER D 30 3.507 -0.676 9.855 1.00 0.00 H new ATOM 0 HG SER D 30 2.913 -2.460 11.217 1.00 0.00 H new ATOM 465 N MET D 31 5.964 -3.453 8.710 1.00 0.00 N ATOM 466 CA MET D 31 6.708 -4.701 8.630 1.00 0.00 C ATOM 467 C MET D 31 7.126 -5.151 10.019 1.00 0.00 C ATOM 468 O MET D 31 7.077 -4.377 10.975 1.00 0.00 O ATOM 469 CB MET D 31 7.940 -4.543 7.734 1.00 0.00 C ATOM 470 CG MET D 31 8.901 -3.460 8.199 1.00 0.00 C ATOM 471 SD MET D 31 10.345 -3.311 7.132 1.00 0.00 S ATOM 472 CE MET D 31 11.200 -1.951 7.923 1.00 0.00 C ATOM 0 H MET D 31 6.357 -2.769 9.357 1.00 0.00 H new ATOM 0 HA MET D 31 6.059 -5.459 8.191 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.471 -5.494 7.692 1.00 0.00 H new ATOM 0 HB3 MET D 31 7.613 -4.315 6.719 1.00 0.00 H new ATOM 0 HG2 MET D 31 8.378 -2.504 8.231 1.00 0.00 H new ATOM 0 HG3 MET D 31 9.226 -3.680 9.216 1.00 0.00 H new ATOM 0 HE1 MET D 31 12.120 -1.734 7.380 1.00 0.00 H new ATOM 0 HE2 MET D 31 10.560 -1.068 7.920 1.00 0.00 H new ATOM 0 HE3 MET D 31 11.441 -2.221 8.951 1.00 0.00 H new ATOM 482 N ASN D 32 7.560 -6.390 10.116 1.00 0.00 N ATOM 483 CA ASN D 32 8.024 -6.943 11.380 1.00 0.00 C ATOM 484 C ASN D 32 9.130 -7.944 11.095 1.00 0.00 C ATOM 485 O ASN D 32 8.853 -9.095 10.760 1.00 0.00 O ATOM 486 CB ASN D 32 6.860 -7.618 12.121 1.00 0.00 C ATOM 487 CG ASN D 32 7.243 -8.083 13.515 1.00 0.00 C ATOM 488 OD1 ASN D 32 8.102 -8.948 13.685 1.00 0.00 O ATOM 489 ND2 ASN D 32 6.612 -7.504 14.525 1.00 0.00 N ATOM 0 H ASN D 32 7.603 -7.040 9.331 1.00 0.00 H new ATOM 0 HA ASN D 32 8.410 -6.146 12.016 1.00 0.00 H new ATOM 0 HB2 ASN D 32 6.026 -6.920 12.192 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.512 -8.472 11.540 1.00 0.00 H new ATOM 0 HD21 ASN D 32 6.832 -7.771 15.484 1.00 0.00 H new ATOM 0 HD22 ASN D 32 5.906 -6.791 14.344 1.00 0.00 H new ATOM 496 N GLY D 33 10.362 -7.459 11.044 1.00 0.00 N ATOM 497 CA GLY D 33 11.455 -8.297 10.577 1.00 0.00 C ATOM 498 C GLY D 33 11.388 -8.477 9.075 1.00 0.00 C ATOM 499 O GLY D 33 11.724 -7.565 8.320 1.00 0.00 O ATOM 0 H GLY D 33 10.626 -6.511 11.314 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.409 -7.846 10.852 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.409 -9.270 11.067 1.00 0.00 H new ATOM 503 N ASN D 34 10.825 -9.599 8.646 1.00 0.00 N ATOM 504 CA ASN D 34 10.568 -9.833 7.230 1.00 0.00 C ATOM 505 C ASN D 34 9.080 -10.056 7.000 1.00 0.00 C ATOM 506 O ASN D 34 8.678 -10.707 6.037 1.00 0.00 O ATOM 507 CB ASN D 34 11.361 -11.038 6.728 1.00 0.00 C ATOM 508 CG ASN D 34 12.852 -10.819 6.840 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.398 -9.891 6.243 1.00 0.00 O ATOM 510 ND2 ASN D 34 13.520 -11.665 7.611 1.00 0.00 N ATOM 0 H ASN D 34 10.537 -10.362 9.258 1.00 0.00 H new ATOM 0 HA ASN D 34 10.888 -8.953 6.672 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.080 -11.922 7.301 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.100 -11.236 5.688 1.00 0.00 H new ATOM 0 HD21 ASN D 34 14.528 -11.561 7.728 1.00 0.00 H new ATOM 0 HD22 ASN D 34 13.026 -12.420 8.087 1.00 0.00 H new ATOM 517 N GLN D 35 8.272 -9.560 7.925 1.00 0.00 N ATOM 518 CA GLN D 35 6.830 -9.751 7.868 1.00 0.00 C ATOM 519 C GLN D 35 6.176 -8.572 7.165 1.00 0.00 C ATOM 520 O GLN D 35 6.683 -7.453 7.218 1.00 0.00 O ATOM 521 CB GLN D 35 6.260 -9.883 9.281 1.00 0.00 C ATOM 522 CG GLN D 35 4.818 -10.362 9.332 1.00 0.00 C ATOM 523 CD GLN D 35 4.648 -11.751 8.752 1.00 0.00 C ATOM 524 OE1 GLN D 35 4.922 -11.982 7.577 1.00 0.00 O ATOM 525 NE2 GLN D 35 4.208 -12.687 9.577 1.00 0.00 N ATOM 0 H GLN D 35 8.592 -9.019 8.728 1.00 0.00 H new ATOM 0 HA GLN D 35 6.621 -10.664 7.311 1.00 0.00 H new ATOM 0 HB2 GLN D 35 6.881 -10.577 9.847 1.00 0.00 H new ATOM 0 HB3 GLN D 35 6.327 -8.916 9.779 1.00 0.00 H new ATOM 0 HG2 GLN D 35 4.474 -10.359 10.366 1.00 0.00 H new ATOM 0 HG3 GLN D 35 4.187 -9.663 8.784 1.00 0.00 H new ATOM 0 HE21 GLN D 35 3.992 -12.452 10.546 1.00 0.00 H new ATOM 0 HE22 GLN D 35 4.085 -13.643 9.244 1.00 0.00 H new ATOM 534 N LEU D 36 5.035 -8.816 6.544 1.00 0.00 N ATOM 535 CA LEU D 36 4.296 -7.762 5.876 1.00 0.00 C ATOM 536 C LEU D 36 2.932 -7.597 6.510 1.00 0.00 C ATOM 537 O LEU D 36 2.279 -8.577 6.875 1.00 0.00 O ATOM 538 CB LEU D 36 4.245 -8.055 4.375 1.00 0.00 C ATOM 539 CG LEU D 36 3.405 -7.129 3.467 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.919 -7.412 3.610 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.667 -5.660 3.761 1.00 0.00 C ATOM 0 H LEU D 36 4.601 -9.737 6.489 1.00 0.00 H new ATOM 0 HA LEU D 36 4.800 -6.803 5.996 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.269 -8.045 4.001 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.870 -9.071 4.249 1.00 0.00 H new ATOM 0 HG LEU D 36 3.712 -7.340 2.443 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.357 -6.743 2.958 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.717 -8.446 3.331 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.616 -7.250 4.644 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.057 -5.043 3.101 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.411 -5.445 4.799 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.721 -5.438 3.594 1.00 0.00 H new ATOM 553 N LYS D 37 2.639 -6.357 6.855 1.00 0.00 N ATOM 554 CA LYS D 37 1.508 -6.048 7.701 1.00 0.00 C ATOM 555 C LYS D 37 0.636 -4.977 7.070 1.00 0.00 C ATOM 556 O LYS D 37 1.083 -3.853 6.869 1.00 0.00 O ATOM 557 CB LYS D 37 2.042 -5.540 9.037 1.00 0.00 C ATOM 558 CG LYS D 37 3.066 -6.474 9.677 1.00 0.00 C ATOM 559 CD LYS D 37 2.476 -7.823 10.074 1.00 0.00 C ATOM 560 CE LYS D 37 1.273 -7.685 11.002 1.00 0.00 C ATOM 561 NZ LYS D 37 1.586 -6.871 12.208 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.176 -5.542 6.558 1.00 0.00 H new ATOM 0 HA LYS D 37 0.902 -6.944 7.837 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.497 -4.561 8.889 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.207 -5.403 9.725 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.889 -6.634 8.980 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.486 -5.993 10.561 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.178 -8.364 9.176 1.00 0.00 H new ATOM 0 HD3 LYS D 37 3.243 -8.421 10.566 1.00 0.00 H new ATOM 0 HE2 LYS D 37 0.448 -7.225 10.459 1.00 0.00 H new ATOM 0 HE3 LYS D 37 0.938 -8.675 11.311 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 0.774 -6.888 12.858 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 2.421 -7.266 12.686 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 1.782 -5.890 11.923 1.00 0.00 H new ATOM 575 N ALA D 38 -0.626 -5.288 6.848 1.00 0.00 N ATOM 576 CA ALA D 38 -1.570 -4.305 6.350 1.00 0.00 C ATOM 577 C ALA D 38 -2.841 -4.329 7.168 1.00 0.00 C ATOM 578 O ALA D 38 -3.184 -5.339 7.784 1.00 0.00 O ATOM 579 CB ALA D 38 -1.877 -4.542 4.884 1.00 0.00 C ATOM 0 H ALA D 38 -1.022 -6.215 7.005 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.114 -3.319 6.446 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.587 -3.792 4.535 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -0.957 -4.469 4.303 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.308 -5.535 4.758 1.00 0.00 H new ATOM 585 N THR D 39 -3.486 -3.183 7.221 1.00 0.00 N ATOM 586 CA THR D 39 -4.679 -2.986 8.017 1.00 0.00 C ATOM 587 C THR D 39 -5.591 -1.953 7.376 1.00 0.00 C ATOM 588 O THR D 39 -5.164 -0.847 7.081 1.00 0.00 O ATOM 589 CB THR D 39 -4.274 -2.539 9.423 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.185 -1.639 9.354 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.887 -3.671 10.347 1.00 0.00 C ATOM 0 H THR D 39 -3.193 -2.352 6.707 1.00 0.00 H new ATOM 0 HA THR D 39 -5.228 -3.926 8.076 1.00 0.00 H new ATOM 0 HB THR D 39 -5.163 -2.066 9.840 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.229 -1.013 10.107 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.614 -3.268 11.322 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.730 -4.353 10.459 1.00 0.00 H new ATOM 0 HG23 THR D 39 -3.038 -4.210 9.927 1.00 0.00 H new ATOM 599 N SER D 40 -6.872 -2.245 7.318 1.00 0.00 N ATOM 600 CA SER D 40 -7.835 -1.252 6.895 1.00 0.00 C ATOM 601 C SER D 40 -8.613 -0.821 8.103 1.00 0.00 C ATOM 602 O SER D 40 -9.109 -1.650 8.869 1.00 0.00 O ATOM 603 CB SER D 40 -8.776 -1.803 5.831 1.00 0.00 C ATOM 604 OG SER D 40 -9.780 -0.861 5.485 1.00 0.00 O ATOM 0 H SER D 40 -7.269 -3.154 7.556 1.00 0.00 H new ATOM 0 HA SER D 40 -7.311 -0.405 6.451 1.00 0.00 H new ATOM 0 HB2 SER D 40 -8.205 -2.070 4.942 1.00 0.00 H new ATOM 0 HB3 SER D 40 -9.244 -2.717 6.196 1.00 0.00 H new ATOM 0 HG SER D 40 -9.358 -0.032 5.176 1.00 0.00 H new ATOM 610 N SER D 41 -8.672 0.468 8.308 1.00 0.00 N ATOM 611 CA SER D 41 -9.344 0.984 9.476 1.00 0.00 C ATOM 612 C SER D 41 -10.771 1.343 9.109 1.00 0.00 C ATOM 613 O SER D 41 -11.100 1.364 7.920 1.00 0.00 O ATOM 614 CB SER D 41 -8.587 2.180 10.042 1.00 0.00 C ATOM 615 OG SER D 41 -7.252 1.825 10.368 1.00 0.00 O ATOM 0 H SER D 41 -8.269 1.174 7.692 1.00 0.00 H new ATOM 0 HA SER D 41 -9.368 0.223 10.256 1.00 0.00 H new ATOM 0 HB2 SER D 41 -8.585 2.992 9.314 1.00 0.00 H new ATOM 0 HB3 SER D 41 -9.097 2.551 10.931 1.00 0.00 H new ATOM 0 HG SER D 41 -6.784 2.607 10.728 1.00 0.00 H new ATOM 621 N ASN D 42 -11.627 1.408 10.135 1.00 0.00 N ATOM 622 CA ASN D 42 -13.091 1.512 9.988 1.00 0.00 C ATOM 623 C ASN D 42 -13.674 0.121 9.735 1.00 0.00 C ATOM 624 O ASN D 42 -14.854 -0.123 10.006 1.00 0.00 O ATOM 625 CB ASN D 42 -13.500 2.487 8.865 1.00 0.00 C ATOM 626 CG ASN D 42 -14.136 1.791 7.670 1.00 0.00 C ATOM 627 OD1 ASN D 42 -15.267 1.313 7.736 1.00 0.00 O ATOM 628 ND2 ASN D 42 -13.390 1.688 6.583 1.00 0.00 N ATOM 0 H ASN D 42 -11.321 1.390 11.108 1.00 0.00 H new ATOM 0 HA ASN D 42 -13.495 1.918 10.915 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -14.200 3.220 9.266 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -12.620 3.037 8.531 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -13.749 1.199 5.763 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.456 2.097 6.565 1.00 0.00 H new ATOM 635 N ALA D 43 -12.798 -0.812 9.340 1.00 0.00 N ATOM 636 CA ALA D 43 -13.147 -2.224 9.181 1.00 0.00 C ATOM 637 C ALA D 43 -14.015 -2.497 7.946 1.00 0.00 C ATOM 638 O ALA D 43 -15.079 -3.106 8.069 1.00 0.00 O ATOM 639 CB ALA D 43 -13.817 -2.771 10.439 1.00 0.00 C ATOM 0 H ALA D 43 -11.824 -0.604 9.121 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.206 -2.751 9.024 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -14.065 -3.822 10.291 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.137 -2.674 11.285 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.728 -2.208 10.640 1.00 0.00 H new ATOM 645 N GLY D 44 -13.481 -2.241 6.743 1.00 0.00 N ATOM 646 CA GLY D 44 -14.162 -2.701 5.554 1.00 0.00 C ATOM 647 C GLY D 44 -14.439 -1.648 4.494 1.00 0.00 C ATOM 648 O GLY D 44 -14.416 -1.974 3.318 1.00 0.00 O ATOM 0 H GLY D 44 -12.610 -1.735 6.583 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -13.566 -3.494 5.102 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -15.111 -3.146 5.852 1.00 0.00 H new ATOM 652 N TYR D 45 -14.834 -0.446 4.885 1.00 0.00 N ATOM 653 CA TYR D 45 -15.273 0.570 3.907 1.00 0.00 C ATOM 654 C TYR D 45 -14.196 0.946 2.878 1.00 0.00 C ATOM 655 O TYR D 45 -12.998 0.785 3.118 1.00 0.00 O ATOM 656 CB TYR D 45 -15.780 1.824 4.625 1.00 0.00 C ATOM 657 CG TYR D 45 -17.150 1.656 5.269 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.582 0.412 5.713 1.00 0.00 C ATOM 659 CD2 TYR D 45 -18.012 2.738 5.434 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.822 0.250 6.293 1.00 0.00 C ATOM 661 CE2 TYR D 45 -19.252 2.580 6.016 1.00 0.00 C ATOM 662 CZ TYR D 45 -19.653 1.336 6.441 1.00 0.00 C ATOM 663 OH TYR D 45 -20.890 1.175 7.013 1.00 0.00 O ATOM 0 H TYR D 45 -14.864 -0.141 5.858 1.00 0.00 H new ATOM 0 HA TYR D 45 -16.087 0.112 3.345 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -15.060 2.106 5.394 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.823 2.647 3.911 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -16.934 -0.444 5.601 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -17.704 3.718 5.100 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -19.140 -0.726 6.630 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -19.906 3.431 6.137 1.00 0.00 H new ATOM 0 HH TYR D 45 -21.351 2.039 7.044 1.00 0.00 H new ATOM 673 N GLY D 46 -14.659 1.441 1.725 1.00 0.00 N ATOM 674 CA GLY D 46 -13.777 1.843 0.628 1.00 0.00 C ATOM 675 C GLY D 46 -13.520 3.335 0.606 1.00 0.00 C ATOM 676 O GLY D 46 -13.529 3.970 1.645 1.00 0.00 O ATOM 0 H GLY D 46 -15.651 1.573 1.528 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.827 1.316 0.718 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -14.221 1.540 -0.320 1.00 0.00 H new ATOM 680 N ILE D 47 -13.226 3.881 -0.571 1.00 0.00 N ATOM 681 CA ILE D 47 -12.886 5.296 -0.714 1.00 0.00 C ATOM 682 C ILE D 47 -13.934 6.157 -0.036 1.00 0.00 C ATOM 683 O ILE D 47 -13.635 7.069 0.742 1.00 0.00 O ATOM 684 CB ILE D 47 -12.937 5.769 -2.183 1.00 0.00 C ATOM 685 CG1 ILE D 47 -12.571 4.715 -3.200 1.00 0.00 C ATOM 686 CG2 ILE D 47 -12.089 7.003 -2.383 1.00 0.00 C ATOM 687 CD1 ILE D 47 -13.711 3.775 -3.502 1.00 0.00 C ATOM 0 H ILE D 47 -13.216 3.360 -1.448 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.887 5.394 -0.290 1.00 0.00 H new ATOM 0 HB ILE D 47 -13.986 6.004 -2.365 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -12.253 5.201 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -11.720 4.141 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -12.142 7.316 -3.426 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.458 7.805 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -11.054 6.779 -2.123 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -13.390 3.039 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -14.014 3.265 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -14.554 4.341 -3.898 1.00 0.00 H new ATOM 699 N SER D 48 -15.136 5.947 -0.545 1.00 0.00 N ATOM 700 CA SER D 48 -16.313 6.748 -0.279 1.00 0.00 C ATOM 701 C SER D 48 -17.364 6.305 -1.288 1.00 0.00 C ATOM 702 O SER D 48 -18.095 5.341 -1.050 1.00 0.00 O ATOM 703 CB SER D 48 -16.000 8.246 -0.422 1.00 0.00 C ATOM 704 OG SER D 48 -15.397 8.536 -1.679 1.00 0.00 O ATOM 0 H SER D 48 -15.324 5.176 -1.185 1.00 0.00 H new ATOM 0 HA SER D 48 -16.667 6.606 0.742 1.00 0.00 H new ATOM 0 HB2 SER D 48 -16.919 8.822 -0.317 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.334 8.558 0.383 1.00 0.00 H new ATOM 0 HG SER D 48 -15.934 9.205 -2.153 1.00 0.00 H new ATOM 710 N TYR D 49 -17.166 6.768 -2.511 1.00 0.00 N ATOM 711 CA TYR D 49 -17.806 6.177 -3.669 1.00 0.00 C ATOM 712 C TYR D 49 -17.065 6.664 -4.902 1.00 0.00 C ATOM 713 O TYR D 49 -17.495 7.612 -5.558 1.00 0.00 O ATOM 714 CB TYR D 49 -19.275 6.580 -3.763 1.00 0.00 C ATOM 715 CG TYR D 49 -20.186 5.414 -4.135 1.00 0.00 C ATOM 716 CD1 TYR D 49 -21.139 5.477 -5.162 1.00 0.00 C ATOM 717 CD2 TYR D 49 -20.087 4.223 -3.421 1.00 0.00 C ATOM 718 CE1 TYR D 49 -21.945 4.391 -5.447 1.00 0.00 C ATOM 719 CE2 TYR D 49 -20.890 3.140 -3.707 1.00 0.00 C ATOM 720 CZ TYR D 49 -21.816 3.229 -4.721 1.00 0.00 C ATOM 721 OH TYR D 49 -22.624 2.154 -5.007 1.00 0.00 O ATOM 0 H TYR D 49 -16.560 7.560 -2.726 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.770 5.091 -3.588 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.595 6.994 -2.807 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.383 7.371 -4.505 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -21.244 6.385 -5.737 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -19.363 4.146 -2.623 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -22.676 4.454 -6.239 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -20.793 2.227 -3.139 1.00 0.00 H new ATOM 0 HH TYR D 49 -22.406 1.412 -4.405 1.00 0.00 H new ATOM 731 N GLU D 50 -15.889 6.095 -5.128 1.00 0.00 N ATOM 732 CA GLU D 50 -14.999 6.556 -6.187 1.00 0.00 C ATOM 733 C GLU D 50 -14.284 5.404 -6.871 1.00 0.00 C ATOM 734 O GLU D 50 -14.697 4.259 -6.752 1.00 0.00 O ATOM 735 CB GLU D 50 -13.957 7.516 -5.623 1.00 0.00 C ATOM 736 CG GLU D 50 -14.480 8.908 -5.339 1.00 0.00 C ATOM 737 CD GLU D 50 -14.915 9.638 -6.592 1.00 0.00 C ATOM 738 OE1 GLU D 50 -15.847 9.170 -7.272 1.00 0.00 O ATOM 739 OE2 GLU D 50 -14.308 10.678 -6.905 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.527 5.309 -4.589 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.620 7.064 -6.924 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.555 7.096 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -13.128 7.589 -6.327 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -15.323 8.841 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -13.705 9.487 -4.837 1.00 0.00 H new ATOM 746 N ASP D 51 -13.168 5.725 -7.527 1.00 0.00 N ATOM 747 CA ASP D 51 -12.312 4.733 -8.182 1.00 0.00 C ATOM 748 C ASP D 51 -10.853 5.167 -8.105 1.00 0.00 C ATOM 749 O ASP D 51 -10.520 6.311 -8.413 1.00 0.00 O ATOM 750 CB ASP D 51 -12.781 4.504 -9.625 1.00 0.00 C ATOM 751 CG ASP D 51 -11.862 3.638 -10.470 1.00 0.00 C ATOM 752 OD1 ASP D 51 -12.154 3.478 -11.671 1.00 0.00 O ATOM 753 OD2 ASP D 51 -10.873 3.100 -9.947 1.00 0.00 O1- ATOM 0 H ASP D 51 -12.831 6.683 -7.620 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.391 3.778 -7.662 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -13.769 4.043 -9.601 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -12.893 5.472 -10.113 1.00 0.00 H new ATOM 758 N LYS D 52 -10.017 4.271 -7.581 1.00 0.00 N ATOM 759 CA LYS D 52 -8.617 4.552 -7.313 1.00 0.00 C ATOM 760 C LYS D 52 -7.751 3.355 -7.631 1.00 0.00 C ATOM 761 O LYS D 52 -7.615 2.444 -6.816 1.00 0.00 O ATOM 762 CB LYS D 52 -8.393 4.939 -5.854 1.00 0.00 C ATOM 763 CG LYS D 52 -8.758 6.370 -5.522 1.00 0.00 C ATOM 764 CD LYS D 52 -10.254 6.597 -5.372 1.00 0.00 C ATOM 765 CE LYS D 52 -10.587 8.084 -5.466 1.00 0.00 C ATOM 766 NZ LYS D 52 -9.787 8.909 -4.519 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.300 3.324 -7.330 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.338 5.388 -7.954 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.977 4.272 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.344 4.778 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -8.261 6.658 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.376 7.025 -6.305 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.789 6.050 -6.148 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.592 6.204 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -10.408 8.429 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -11.648 8.229 -5.262 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -9.910 9.916 -4.747 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -10.110 8.732 -3.546 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -8.782 8.656 -4.602 1.00 0.00 H new ATOM 780 N ASN D 53 -7.119 3.383 -8.786 1.00 0.00 N ATOM 781 CA ASN D 53 -6.212 2.316 -9.163 1.00 0.00 C ATOM 782 C ASN D 53 -4.925 2.416 -8.383 1.00 0.00 C ATOM 783 O ASN D 53 -4.303 3.477 -8.313 1.00 0.00 O ATOM 784 CB ASN D 53 -5.925 2.324 -10.661 1.00 0.00 C ATOM 785 CG ASN D 53 -7.138 1.946 -11.484 1.00 0.00 C ATOM 786 OD1 ASN D 53 -7.055 1.854 -12.710 1.00 0.00 O ATOM 787 ND2 ASN D 53 -8.281 1.752 -10.830 1.00 0.00 N ATOM 0 H ASN D 53 -7.215 4.127 -9.477 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.699 1.371 -8.923 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.583 3.316 -10.957 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.113 1.630 -10.876 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -9.130 1.518 -11.345 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.308 1.837 -9.814 1.00 0.00 H new ATOM 794 N TRP D 54 -4.562 1.320 -7.750 1.00 0.00 N ATOM 795 CA TRP D 54 -3.384 1.295 -6.921 1.00 0.00 C ATOM 796 C TRP D 54 -2.366 0.297 -7.429 1.00 0.00 C ATOM 797 O TRP D 54 -2.722 -0.706 -8.046 1.00 0.00 O ATOM 798 CB TRP D 54 -3.734 0.949 -5.485 1.00 0.00 C ATOM 799 CG TRP D 54 -3.469 2.075 -4.561 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.213 3.197 -4.325 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.292 2.204 -3.804 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.550 4.004 -3.426 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.359 3.406 -3.099 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.187 1.389 -3.653 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.333 3.812 -2.254 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.190 1.791 -2.821 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.262 2.992 -2.131 1.00 0.00 C ATOM 0 H TRP D 54 -5.069 0.436 -7.796 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.952 2.295 -6.961 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.786 0.672 -5.425 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -3.157 0.079 -5.171 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.171 3.417 -4.773 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.888 4.896 -3.064 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.117 0.452 -4.185 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.388 4.747 -1.715 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.678 1.161 -2.694 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.552 3.279 -1.482 1.00 0.00 H new ATOM 818 N GLY D 55 -1.105 0.533 -7.092 1.00 0.00 N ATOM 819 CA GLY D 55 -0.077 -0.405 -7.459 1.00 0.00 C ATOM 820 C GLY D 55 1.001 -0.563 -6.403 1.00 0.00 C ATOM 821 O GLY D 55 1.307 0.350 -5.637 1.00 0.00 O ATOM 0 H GLY D 55 -0.783 1.351 -6.575 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.533 -1.376 -7.650 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.384 -0.081 -8.392 1.00 0.00 H new ATOM 825 N ILE D 56 1.627 -1.709 -6.472 1.00 0.00 N ATOM 826 CA ILE D 56 2.778 -2.088 -5.656 1.00 0.00 C ATOM 827 C ILE D 56 3.796 -2.675 -6.610 1.00 0.00 C ATOM 828 O ILE D 56 3.487 -3.629 -7.313 1.00 0.00 O ATOM 829 CB ILE D 56 2.387 -3.166 -4.614 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.230 -2.691 -3.735 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.576 -3.540 -3.749 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.781 -3.735 -2.735 1.00 0.00 C ATOM 0 H ILE D 56 1.346 -2.443 -7.122 1.00 0.00 H new ATOM 0 HA ILE D 56 3.163 -1.224 -5.115 1.00 0.00 H new ATOM 0 HB ILE D 56 2.062 -4.050 -5.164 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.533 -1.790 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.387 -2.417 -4.370 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.276 -4.298 -3.026 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.374 -3.935 -4.378 1.00 0.00 H new ATOM 0 HG23 ILE D 56 3.934 -2.656 -3.221 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.042 -3.339 -2.141 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.449 -4.628 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.612 -3.991 -2.078 1.00 0.00 H new ATOM 844 N PHE D 57 4.887 -1.973 -6.827 1.00 0.00 N ATOM 845 CA PHE D 57 5.763 -2.332 -7.930 1.00 0.00 C ATOM 846 C PHE D 57 7.048 -2.961 -7.428 1.00 0.00 C ATOM 847 O PHE D 57 7.949 -2.259 -6.981 1.00 0.00 O ATOM 848 CB PHE D 57 6.100 -1.116 -8.809 1.00 0.00 C ATOM 849 CG PHE D 57 4.904 -0.336 -9.292 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.520 -0.383 -10.619 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.181 0.471 -8.425 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.437 0.350 -11.062 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.108 1.193 -8.860 1.00 0.00 C ATOM 854 CZ PHE D 57 2.730 1.137 -10.172 1.00 0.00 C ATOM 0 H PHE D 57 5.187 -1.171 -6.273 1.00 0.00 H new ATOM 0 HA PHE D 57 5.221 -3.059 -8.535 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.750 -0.446 -8.245 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.668 -1.457 -9.675 1.00 0.00 H new ATOM 0 HD1 PHE D 57 5.071 -0.998 -11.315 1.00 0.00 H new ATOM 0 HD2 PHE D 57 4.473 0.529 -7.387 1.00 0.00 H new ATOM 0 HE1 PHE D 57 3.143 0.309 -12.100 1.00 0.00 H new ATOM 0 HE2 PHE D 57 2.556 1.810 -8.166 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.879 1.708 -10.514 1.00 0.00 H new ATOM 864 N VAL D 58 7.178 -4.263 -7.623 1.00 0.00 N ATOM 865 CA VAL D 58 8.419 -4.953 -7.315 1.00 0.00 C ATOM 866 C VAL D 58 9.256 -5.095 -8.582 1.00 0.00 C ATOM 867 O VAL D 58 8.872 -5.807 -9.512 1.00 0.00 O ATOM 868 CB VAL D 58 8.167 -6.342 -6.690 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.471 -7.065 -6.411 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.365 -6.209 -5.408 1.00 0.00 C ATOM 0 H VAL D 58 6.440 -4.862 -7.993 1.00 0.00 H new ATOM 0 HA VAL D 58 8.959 -4.356 -6.580 1.00 0.00 H new ATOM 0 HB VAL D 58 7.597 -6.931 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.260 -8.040 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL D 58 10.020 -7.199 -7.343 1.00 0.00 H new ATOM 0 HG13 VAL D 58 10.072 -6.477 -5.718 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.196 -7.197 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL D 58 7.916 -5.595 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.406 -5.739 -5.626 1.00 0.00 H new ATOM 880 N ASN D 59 10.367 -4.367 -8.626 1.00 0.00 N ATOM 881 CA ASN D 59 11.256 -4.340 -9.790 1.00 0.00 C ATOM 882 C ASN D 59 10.567 -3.745 -11.016 1.00 0.00 C ATOM 883 O ASN D 59 10.874 -4.112 -12.152 1.00 0.00 O ATOM 884 CB ASN D 59 11.801 -5.737 -10.120 1.00 0.00 C ATOM 885 CG ASN D 59 12.650 -6.308 -9.002 1.00 0.00 C ATOM 886 OD1 ASN D 59 13.650 -5.711 -8.601 1.00 0.00 O ATOM 887 ND2 ASN D 59 12.264 -7.471 -8.496 1.00 0.00 N ATOM 0 H ASN D 59 10.680 -3.777 -7.855 1.00 0.00 H new ATOM 0 HA ASN D 59 12.095 -3.697 -9.524 1.00 0.00 H new ATOM 0 HB2 ASN D 59 10.968 -6.411 -10.319 1.00 0.00 H new ATOM 0 HB3 ASN D 59 12.395 -5.686 -11.033 1.00 0.00 H new ATOM 0 HD21 ASN D 59 12.802 -7.904 -7.746 1.00 0.00 H new ATOM 0 HD22 ASN D 59 11.429 -7.932 -8.857 1.00 0.00 H new ATOM 894 N GLY D 60 9.742 -2.725 -10.794 1.00 0.00 N ATOM 895 CA GLY D 60 9.163 -1.985 -11.903 1.00 0.00 C ATOM 896 C GLY D 60 7.761 -2.414 -12.265 1.00 0.00 C ATOM 897 O GLY D 60 6.949 -1.604 -12.719 1.00 0.00 O ATOM 0 H GLY D 60 9.464 -2.398 -9.869 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.154 -0.924 -11.653 1.00 0.00 H new ATOM 0 HA3 GLY D 60 9.804 -2.101 -12.777 1.00 0.00 H new ATOM 901 N GLU D 61 7.492 -3.689 -12.111 1.00 0.00 N ATOM 902 CA GLU D 61 6.195 -4.247 -12.474 1.00 0.00 C ATOM 903 C GLU D 61 5.253 -4.207 -11.281 1.00 0.00 C ATOM 904 O GLU D 61 5.703 -4.249 -10.137 1.00 0.00 O ATOM 905 CB GLU D 61 6.364 -5.690 -12.959 1.00 0.00 C ATOM 906 CG GLU D 61 6.866 -6.643 -11.884 1.00 0.00 C ATOM 907 CD GLU D 61 7.161 -8.014 -12.429 1.00 0.00 C ATOM 908 OE1 GLU D 61 8.027 -8.119 -13.319 1.00 0.00 O ATOM 909 OE2 GLU D 61 6.529 -8.983 -11.970 1.00 0.00 O1- ATOM 0 H GLU D 61 8.153 -4.369 -11.735 1.00 0.00 H new ATOM 0 HA GLU D 61 5.768 -3.649 -13.279 1.00 0.00 H new ATOM 0 HB2 GLU D 61 5.407 -6.052 -13.334 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.061 -5.703 -13.797 1.00 0.00 H new ATOM 0 HG2 GLU D 61 7.768 -6.233 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.119 -6.721 -11.094 1.00 0.00 H new ATOM 916 N LYS D 62 3.949 -4.223 -11.529 1.00 0.00 N ATOM 917 CA LYS D 62 3.007 -4.296 -10.426 1.00 0.00 C ATOM 918 C LYS D 62 2.962 -5.724 -9.920 1.00 0.00 C ATOM 919 O LYS D 62 2.722 -6.656 -10.688 1.00 0.00 O ATOM 920 CB LYS D 62 1.588 -3.885 -10.825 1.00 0.00 C ATOM 921 CG LYS D 62 1.496 -2.558 -11.547 1.00 0.00 C ATOM 922 CD LYS D 62 0.044 -2.109 -11.667 1.00 0.00 C ATOM 923 CE LYS D 62 -0.147 -1.094 -12.785 1.00 0.00 C ATOM 924 NZ LYS D 62 0.756 0.075 -12.644 1.00 0.00 N1+ ATOM 0 H LYS D 62 3.531 -4.187 -12.459 1.00 0.00 H new ATOM 0 HA LYS D 62 3.351 -3.601 -9.660 1.00 0.00 H new ATOM 0 HB2 LYS D 62 1.165 -4.661 -11.463 1.00 0.00 H new ATOM 0 HB3 LYS D 62 0.971 -3.839 -9.927 1.00 0.00 H new ATOM 0 HG2 LYS D 62 2.071 -1.805 -11.009 1.00 0.00 H new ATOM 0 HG3 LYS D 62 1.937 -2.647 -12.540 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.590 -2.976 -11.852 1.00 0.00 H new ATOM 0 HD3 LYS D 62 -0.280 -1.673 -10.722 1.00 0.00 H new ATOM 0 HE2 LYS D 62 0.034 -1.576 -13.746 1.00 0.00 H new ATOM 0 HE3 LYS D 62 -1.182 -0.752 -12.790 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 0.199 0.952 -12.692 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 1.246 0.026 -11.728 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 1.456 0.067 -13.413 1.00 0.00 H new ATOM 938 N VAL D 63 3.173 -5.896 -8.639 1.00 0.00 N ATOM 939 CA VAL D 63 3.131 -7.215 -8.047 1.00 0.00 C ATOM 940 C VAL D 63 1.739 -7.487 -7.478 1.00 0.00 C ATOM 941 O VAL D 63 1.272 -8.627 -7.453 1.00 0.00 O ATOM 942 CB VAL D 63 4.212 -7.368 -6.970 1.00 0.00 C ATOM 943 CG1 VAL D 63 3.964 -6.447 -5.787 1.00 0.00 C ATOM 944 CG2 VAL D 63 4.350 -8.812 -6.528 1.00 0.00 C ATOM 0 H VAL D 63 3.376 -5.141 -7.984 1.00 0.00 H new ATOM 0 HA VAL D 63 3.337 -7.954 -8.822 1.00 0.00 H new ATOM 0 HB VAL D 63 5.159 -7.068 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL D 63 4.752 -6.586 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL D 63 3.963 -5.411 -6.126 1.00 0.00 H new ATOM 0 HG13 VAL D 63 2.999 -6.683 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL D 63 5.124 -8.886 -5.764 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.402 -9.159 -6.118 1.00 0.00 H new ATOM 0 HG23 VAL D 63 4.624 -9.430 -7.383 1.00 0.00 H new ATOM 954 N TYR D 64 1.050 -6.407 -7.118 1.00 0.00 N ATOM 955 CA TYR D 64 -0.328 -6.481 -6.651 1.00 0.00 C ATOM 956 C TYR D 64 -1.075 -5.207 -7.036 1.00 0.00 C ATOM 957 O TYR D 64 -0.557 -4.104 -6.858 1.00 0.00 O ATOM 958 CB TYR D 64 -0.374 -6.669 -5.130 1.00 0.00 C ATOM 959 CG TYR D 64 -1.780 -6.826 -4.582 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.242 -6.031 -3.538 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.647 -7.774 -5.112 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.522 -6.175 -3.045 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.929 -7.923 -4.621 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.361 -7.122 -3.590 1.00 0.00 C ATOM 965 OH TYR D 64 -5.640 -7.265 -3.106 1.00 0.00 O ATOM 0 H TYR D 64 1.431 -5.461 -7.142 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.807 -7.339 -7.122 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.212 -7.548 -4.863 1.00 0.00 H new ATOM 0 HB3 TYR D 64 0.100 -5.812 -4.651 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -1.587 -5.288 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.312 -8.405 -5.922 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -3.865 -5.548 -2.235 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.589 -8.665 -5.045 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.099 -7.976 -3.600 1.00 0.00 H new ATOM 975 N THR D 65 -2.308 -5.356 -7.501 1.00 0.00 N ATOM 976 CA THR D 65 -3.141 -4.209 -7.831 1.00 0.00 C ATOM 977 C THR D 65 -4.412 -4.234 -6.996 1.00 0.00 C ATOM 978 O THR D 65 -5.192 -5.185 -7.073 1.00 0.00 O ATOM 979 CB THR D 65 -3.495 -4.201 -9.302 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.327 -4.269 -10.104 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.289 -2.975 -9.744 1.00 0.00 C ATOM 0 H THR D 65 -2.753 -6.260 -7.658 1.00 0.00 H new ATOM 0 HA THR D 65 -2.577 -3.303 -7.608 1.00 0.00 H new ATOM 0 HB THR D 65 -4.124 -5.080 -9.439 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.580 -4.264 -11.051 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.503 -3.045 -10.810 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.226 -2.928 -9.188 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.706 -2.075 -9.549 1.00 0.00 H new ATOM 989 N PHE D 66 -4.669 -3.157 -6.274 1.00 0.00 N ATOM 990 CA PHE D 66 -5.907 -3.033 -5.524 1.00 0.00 C ATOM 991 C PHE D 66 -6.529 -1.683 -5.789 1.00 0.00 C ATOM 992 O PHE D 66 -5.904 -0.812 -6.384 1.00 0.00 O ATOM 993 CB PHE D 66 -5.688 -3.285 -4.024 1.00 0.00 C ATOM 994 CG PHE D 66 -4.759 -2.335 -3.303 1.00 0.00 C ATOM 995 CD1 PHE D 66 -5.168 -1.055 -2.960 1.00 0.00 C ATOM 996 CD2 PHE D 66 -3.477 -2.734 -2.953 1.00 0.00 C ATOM 997 CE1 PHE D 66 -4.320 -0.197 -2.281 1.00 0.00 C ATOM 998 CE2 PHE D 66 -2.626 -1.878 -2.279 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.046 -0.609 -1.941 1.00 0.00 C ATOM 0 H PHE D 66 -4.040 -2.359 -6.191 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.602 -3.802 -5.863 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.658 -3.253 -3.529 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.301 -4.297 -3.902 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -6.161 -0.723 -3.226 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -3.139 -3.727 -3.211 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -4.655 0.795 -2.017 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -1.630 -2.204 -2.017 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.382 0.060 -1.413 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.778 -1.540 -5.429 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.500 -0.317 -5.701 1.00 0.00 C ATOM 1011 C ASN D 67 -9.192 0.100 -4.422 1.00 0.00 C ATOM 1012 O ASN D 67 -9.560 -0.767 -3.640 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.529 -0.567 -6.807 1.00 0.00 C ATOM 1014 CG ASN D 67 -10.045 0.709 -7.427 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -10.493 1.616 -6.735 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -10.008 0.774 -8.746 1.00 0.00 N ATOM 0 H ASN D 67 -8.321 -2.255 -4.945 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.824 0.470 -6.035 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -9.078 -1.186 -7.583 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -10.367 -1.131 -6.396 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -10.361 1.602 -9.226 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -9.627 -0.004 -9.284 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.416 1.389 -4.202 1.00 0.00 N ATOM 1024 CA GLU D 68 -10.120 1.796 -3.004 1.00 0.00 C ATOM 1025 C GLU D 68 -11.595 1.415 -3.118 1.00 0.00 C ATOM 1026 O GLU D 68 -12.268 1.196 -2.112 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.961 3.289 -2.724 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.523 3.788 -2.770 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.642 3.172 -1.704 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -6.442 3.506 -1.675 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -8.155 2.384 -0.890 1.00 0.00 O1- ATOM 0 H GLU D 68 -9.128 2.148 -4.820 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.678 1.270 -2.158 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.550 3.847 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.378 3.508 -1.741 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -8.101 3.570 -3.751 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -8.518 4.872 -2.654 1.00 0.00 H new ATOM 1038 N LYS D 69 -12.050 1.209 -4.364 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.399 0.695 -4.629 1.00 0.00 C ATOM 1040 C LYS D 69 -13.501 -0.669 -4.022 1.00 0.00 C ATOM 1041 O LYS D 69 -14.400 -0.974 -3.236 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.626 0.520 -6.118 1.00 0.00 C ATOM 1043 CG LYS D 69 -13.337 1.751 -6.927 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.691 1.538 -8.393 1.00 0.00 C ATOM 1045 CE LYS D 69 -15.176 1.260 -8.587 1.00 0.00 C ATOM 1046 NZ LYS D 69 -16.026 2.375 -8.086 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.501 1.392 -5.204 1.00 0.00 H new ATOM 0 HA LYS D 69 -14.126 1.396 -4.219 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.998 -0.295 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.661 0.222 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.906 2.592 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -12.282 2.009 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -13.410 2.422 -8.966 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -13.111 0.704 -8.788 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -15.379 1.098 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -15.443 0.340 -8.067 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -16.597 2.043 -7.283 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -15.420 3.162 -7.778 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -16.656 2.700 -8.847 1.00 0.00 H new ATOM 1060 N SER D 70 -12.473 -1.433 -4.339 1.00 0.00 N ATOM 1061 CA SER D 70 -12.264 -2.739 -3.793 1.00 0.00 C ATOM 1062 C SER D 70 -11.851 -2.591 -2.341 1.00 0.00 C ATOM 1063 O SER D 70 -10.669 -2.590 -2.028 1.00 0.00 O ATOM 1064 CB SER D 70 -11.176 -3.426 -4.599 1.00 0.00 C ATOM 1065 OG SER D 70 -11.504 -3.443 -5.981 1.00 0.00 O ATOM 0 H SER D 70 -11.750 -1.147 -4.999 1.00 0.00 H new ATOM 0 HA SER D 70 -13.172 -3.340 -3.841 1.00 0.00 H new ATOM 0 HB2 SER D 70 -10.228 -2.909 -4.452 1.00 0.00 H new ATOM 0 HB3 SER D 70 -11.041 -4.446 -4.240 1.00 0.00 H new ATOM 0 HG SER D 70 -10.789 -3.889 -6.481 1.00 0.00 H new ATOM 1071 N THR D 71 -12.854 -2.332 -1.511 1.00 0.00 N ATOM 1072 CA THR D 71 -12.712 -2.015 -0.100 1.00 0.00 C ATOM 1073 C THR D 71 -11.380 -2.451 0.501 1.00 0.00 C ATOM 1074 O THR D 71 -11.094 -3.653 0.582 1.00 0.00 O ATOM 1075 CB THR D 71 -13.851 -2.673 0.638 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.874 -4.071 0.399 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.208 -2.115 0.263 1.00 0.00 C ATOM 0 H THR D 71 -13.827 -2.338 -1.817 1.00 0.00 H new ATOM 0 HA THR D 71 -12.736 -0.930 0.001 1.00 0.00 H new ATOM 0 HB THR D 71 -13.668 -2.463 1.692 1.00 0.00 H new ATOM 0 HG1 THR D 71 -14.000 -4.546 1.247 1.00 0.00 H new ATOM 0 HG21 THR D 71 -15.983 -2.631 0.829 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.240 -1.050 0.493 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.380 -2.261 -0.803 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.598 -1.470 0.968 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.336 -1.714 1.626 1.00 0.00 C ATOM 1087 C VAL D 72 -9.450 -2.726 2.757 1.00 0.00 C ATOM 1088 O VAL D 72 -8.457 -3.327 3.162 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.689 -0.408 2.139 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.654 0.062 1.141 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.724 0.699 2.321 1.00 0.00 C ATOM 0 H VAL D 72 -10.837 -0.481 0.893 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.685 -2.143 0.865 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.232 -0.619 3.106 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -7.195 0.983 1.499 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.887 -0.704 1.024 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -8.133 0.245 0.179 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -9.232 1.602 2.683 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -10.206 0.907 1.366 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.474 0.380 3.045 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.677 -2.995 3.175 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.927 -4.019 4.148 1.00 0.00 C ATOM 1103 C GLY D 73 -10.640 -5.402 3.627 1.00 0.00 C ATOM 1104 O GLY D 73 -9.756 -6.097 4.126 1.00 0.00 O ATOM 0 H GLY D 73 -11.512 -2.509 2.847 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -10.314 -3.833 5.030 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.968 -3.965 4.467 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.424 -5.814 2.640 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.298 -7.151 2.068 1.00 0.00 C ATOM 1110 C ASN D 74 -9.982 -7.297 1.336 1.00 0.00 C ATOM 1111 O ASN D 74 -9.453 -8.399 1.207 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.463 -7.440 1.111 1.00 0.00 C ATOM 1113 CG ASN D 74 -13.821 -7.365 1.790 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -14.175 -6.344 2.379 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -14.605 -8.430 1.687 1.00 0.00 N ATOM 0 H ASN D 74 -12.155 -5.242 2.217 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.326 -7.872 2.885 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -12.435 -6.727 0.287 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.333 -8.432 0.678 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -15.536 -8.420 2.104 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.277 -9.259 1.191 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.427 -6.175 0.914 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.132 -6.176 0.249 1.00 0.00 C ATOM 1124 C ILE D 75 -7.006 -6.388 1.231 1.00 0.00 C ATOM 1125 O ILE D 75 -6.061 -7.107 0.947 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.906 -4.878 -0.512 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.892 -4.796 -1.674 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.469 -4.759 -1.003 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.750 -5.936 -2.660 1.00 0.00 C ATOM 0 H ILE D 75 -9.850 -5.253 1.019 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.138 -7.006 -0.458 1.00 0.00 H new ATOM 0 HB ILE D 75 -8.079 -4.041 0.165 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -9.908 -4.790 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -8.748 -3.851 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.345 -3.820 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.790 -4.780 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.242 -5.592 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.480 -5.817 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -7.745 -5.930 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -8.923 -6.883 -2.149 1.00 0.00 H new ATOM 1141 N SER D 76 -7.104 -5.778 2.394 1.00 0.00 N ATOM 1142 CA SER D 76 -6.071 -5.948 3.399 1.00 0.00 C ATOM 1143 C SER D 76 -6.147 -7.324 4.026 1.00 0.00 C ATOM 1144 O SER D 76 -5.120 -7.873 4.417 1.00 0.00 O ATOM 1145 CB SER D 76 -6.142 -4.853 4.451 1.00 0.00 C ATOM 1146 OG SER D 76 -5.222 -5.080 5.500 1.00 0.00 O ATOM 0 H SER D 76 -7.875 -5.169 2.666 1.00 0.00 H new ATOM 0 HA SER D 76 -5.104 -5.863 2.904 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.936 -3.888 3.988 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.152 -4.802 4.857 1.00 0.00 H new ATOM 0 HG SER D 76 -5.706 -5.161 6.348 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.295 -7.972 3.893 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.366 -9.385 4.210 1.00 0.00 C ATOM 1154 C ASN D 77 -6.528 -10.153 3.204 1.00 0.00 C ATOM 1155 O ASN D 77 -5.874 -11.129 3.553 1.00 0.00 O ATOM 1156 CB ASN D 77 -8.806 -9.905 4.212 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.631 -9.305 5.330 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -9.254 -9.383 6.499 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -10.772 -8.726 4.990 1.00 0.00 N ATOM 0 H ASN D 77 -8.169 -7.552 3.576 1.00 0.00 H new ATOM 0 HA ASN D 77 -6.977 -9.533 5.218 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.274 -9.676 3.255 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -8.798 -10.990 4.311 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -11.374 -8.324 5.709 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -11.049 -8.682 4.009 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.460 -9.624 1.977 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.590 -10.191 0.945 1.00 0.00 C ATOM 1168 C ASP D 78 -4.134 -9.794 1.138 1.00 0.00 C ATOM 1169 O ASP D 78 -3.235 -10.555 0.802 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.044 -9.793 -0.465 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.363 -10.416 -0.854 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -7.465 -11.659 -0.826 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -8.298 -9.670 -1.205 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.995 -8.809 1.677 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.670 -11.273 1.049 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.130 -8.708 -0.521 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.281 -10.090 -1.185 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.880 -8.614 1.666 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.506 -8.185 1.860 1.00 0.00 C ATOM 1180 C ILE D 79 -1.877 -8.988 2.994 1.00 0.00 C ATOM 1181 O ILE D 79 -0.657 -9.131 3.074 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.405 -6.665 2.135 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.284 -5.917 1.136 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.965 -6.200 1.970 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.303 -4.418 1.325 1.00 0.00 C ATOM 0 H ILE D 79 -4.590 -7.945 1.964 1.00 0.00 H new ATOM 0 HA ILE D 79 -1.957 -8.373 0.937 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.735 -6.463 3.154 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -2.937 -6.140 0.127 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.304 -6.294 1.213 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.904 -5.129 2.165 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.327 -6.734 2.674 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.632 -6.403 0.952 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.951 -3.965 0.575 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.680 -4.181 2.320 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.292 -4.025 1.217 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.733 -9.627 3.786 1.00 0.00 N ATOM 1198 CA ASN D 80 -2.295 -10.544 4.821 1.00 0.00 C ATOM 1199 C ASN D 80 -1.651 -11.793 4.235 1.00 0.00 C ATOM 1200 O ASN D 80 -0.732 -12.343 4.829 1.00 0.00 O ATOM 1201 CB ASN D 80 -3.468 -10.938 5.713 1.00 0.00 C ATOM 1202 CG ASN D 80 -3.947 -9.809 6.603 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -4.898 -9.970 7.367 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -3.287 -8.662 6.521 1.00 0.00 N ATOM 0 H ASN D 80 -3.746 -9.521 3.725 1.00 0.00 H new ATOM 0 HA ASN D 80 -1.543 -10.026 5.417 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -4.295 -11.275 5.087 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -3.175 -11.783 6.336 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -3.563 -7.872 7.105 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -2.504 -8.569 5.874 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.101 -12.221 3.055 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.499 -13.375 2.398 1.00 0.00 C ATOM 1213 C LYS D 81 -0.381 -12.975 1.431 1.00 0.00 C ATOM 1214 O LYS D 81 0.690 -13.577 1.442 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.537 -14.258 1.687 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.556 -13.516 0.855 1.00 0.00 C ATOM 1217 CD LYS D 81 -4.760 -13.133 1.694 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.467 -14.355 2.262 1.00 0.00 C ATOM 1219 NZ LYS D 81 -6.619 -13.979 3.124 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.871 -11.791 2.542 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.054 -13.969 3.197 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.010 -14.962 1.043 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.065 -14.846 2.438 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -3.103 -12.620 0.431 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -3.873 -14.139 0.019 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.442 -12.485 2.511 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.459 -12.559 1.085 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -5.816 -14.985 1.444 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -4.759 -14.948 2.841 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -6.620 -14.570 3.979 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.538 -12.978 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -7.506 -14.125 2.601 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.653 -12.007 0.554 1.00 0.00 N ATOM 1234 CA LEU D 82 0.305 -11.583 -0.468 1.00 0.00 C ATOM 1235 C LEU D 82 1.696 -11.255 0.090 1.00 0.00 C ATOM 1236 O LEU D 82 2.685 -11.390 -0.627 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.254 -10.390 -1.215 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.265 -10.728 -2.315 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.571 -11.378 -3.500 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.380 -11.637 -1.830 1.00 0.00 C ATOM 0 H LEU D 82 -1.537 -11.498 0.532 1.00 0.00 H new ATOM 0 HA LEU D 82 0.444 -12.428 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.731 -9.722 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.574 -9.839 -1.661 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.714 -9.782 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.307 -11.610 -4.270 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.175 -10.694 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.082 -12.297 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.066 -11.842 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -1.955 -12.574 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.921 -11.149 -1.020 1.00 0.00 H new ATOM 1252 N ASN D 83 1.745 -10.826 1.359 1.00 0.00 N ATOM 1253 CA ASN D 83 2.999 -10.452 2.053 1.00 0.00 C ATOM 1254 C ASN D 83 4.042 -9.830 1.136 1.00 0.00 C ATOM 1255 O ASN D 83 5.053 -10.460 0.816 1.00 0.00 O ATOM 1256 CB ASN D 83 3.630 -11.640 2.782 1.00 0.00 C ATOM 1257 CG ASN D 83 2.851 -12.051 4.006 1.00 0.00 C ATOM 1258 OD1 ASN D 83 1.724 -12.520 3.909 1.00 0.00 O ATOM 1259 ND2 ASN D 83 3.443 -11.846 5.170 1.00 0.00 N ATOM 0 H ASN D 83 0.914 -10.726 1.942 1.00 0.00 H new ATOM 0 HA ASN D 83 2.693 -9.697 2.777 1.00 0.00 H new ATOM 0 HB2 ASN D 83 3.698 -12.486 2.098 1.00 0.00 H new ATOM 0 HB3 ASN D 83 4.648 -11.383 3.074 1.00 0.00 H new ATOM 0 HD21 ASN D 83 2.959 -12.081 6.037 1.00 0.00 H new ATOM 0 HD22 ASN D 83 4.384 -11.453 5.202 1.00 0.00 H new ATOM 1266 N ILE D 84 3.808 -8.598 0.718 1.00 0.00 N ATOM 1267 CA ILE D 84 4.750 -7.927 -0.154 1.00 0.00 C ATOM 1268 C ILE D 84 5.786 -7.117 0.638 1.00 0.00 C ATOM 1269 O ILE D 84 5.570 -5.944 0.945 1.00 0.00 O ATOM 1270 CB ILE D 84 4.023 -7.013 -1.164 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.950 -7.797 -1.924 1.00 0.00 C ATOM 1272 CG2 ILE D 84 5.013 -6.415 -2.150 1.00 0.00 C ATOM 1273 CD1 ILE D 84 3.506 -8.944 -2.742 1.00 0.00 C ATOM 0 H ILE D 84 2.984 -8.050 0.965 1.00 0.00 H new ATOM 0 HA ILE D 84 5.279 -8.705 -0.704 1.00 0.00 H new ATOM 0 HB ILE D 84 3.545 -6.207 -0.607 1.00 0.00 H new ATOM 0 HG12 ILE D 84 2.224 -8.188 -1.211 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.414 -7.116 -2.585 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.483 -5.774 -2.854 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.754 -5.826 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.513 -7.216 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE D 84 2.690 -9.455 -3.253 1.00 0.00 H new ATOM 0 HD12 ILE D 84 4.211 -8.558 -3.478 1.00 0.00 H new ATOM 0 HD13 ILE D 84 4.018 -9.646 -2.084 1.00 0.00 H new ATOM 1285 N LYS D 85 6.971 -7.709 0.815 1.00 0.00 N ATOM 1286 CA LYS D 85 8.127 -7.011 1.389 1.00 0.00 C ATOM 1287 C LYS D 85 9.403 -7.425 0.674 1.00 0.00 C ATOM 1288 O LYS D 85 9.964 -8.490 0.936 1.00 0.00 O ATOM 1289 CB LYS D 85 8.290 -7.264 2.893 1.00 0.00 C ATOM 1290 CG LYS D 85 7.225 -6.610 3.758 1.00 0.00 C ATOM 1291 CD LYS D 85 7.227 -5.092 3.611 1.00 0.00 C ATOM 1292 CE LYS D 85 8.550 -4.473 4.045 1.00 0.00 C ATOM 1293 NZ LYS D 85 8.553 -2.995 3.879 1.00 0.00 N1+ ATOM 0 H LYS D 85 7.156 -8.681 0.566 1.00 0.00 H new ATOM 0 HA LYS D 85 7.943 -5.946 1.250 1.00 0.00 H new ATOM 0 HB2 LYS D 85 8.277 -8.339 3.072 1.00 0.00 H new ATOM 0 HB3 LYS D 85 9.269 -6.901 3.206 1.00 0.00 H new ATOM 0 HG2 LYS D 85 6.245 -7.000 3.484 1.00 0.00 H new ATOM 0 HG3 LYS D 85 7.393 -6.874 4.802 1.00 0.00 H new ATOM 0 HD2 LYS D 85 7.028 -4.829 2.572 1.00 0.00 H new ATOM 0 HD3 LYS D 85 6.418 -4.670 4.207 1.00 0.00 H new ATOM 0 HE2 LYS D 85 8.742 -4.721 5.089 1.00 0.00 H new ATOM 0 HE3 LYS D 85 9.362 -4.905 3.460 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 9.471 -2.613 4.185 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 8.396 -2.758 2.879 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 7.795 -2.579 4.457 1.00 0.00 H new ATOM 1307 N GLY D 86 9.852 -6.560 -0.215 1.00 0.00 N ATOM 1308 CA GLY D 86 11.065 -6.791 -0.974 1.00 0.00 C ATOM 1309 C GLY D 86 10.909 -7.840 -2.049 1.00 0.00 C ATOM 1310 O GLY D 86 10.112 -8.772 -1.919 1.00 0.00 O ATOM 0 H GLY D 86 9.387 -5.678 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.381 -5.855 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.859 -7.095 -0.292 1.00 0.00 H new ATOM 1314 N PRO D 87 11.670 -7.705 -3.140 1.00 0.00 N ATOM 1315 CA PRO D 87 12.621 -6.605 -3.316 1.00 0.00 C ATOM 1316 C PRO D 87 11.979 -5.369 -3.964 1.00 0.00 C ATOM 1317 O PRO D 87 10.796 -5.403 -4.283 1.00 0.00 O ATOM 1318 CB PRO D 87 13.650 -7.248 -4.232 1.00 0.00 C ATOM 1319 CG PRO D 87 12.849 -8.130 -5.126 1.00 0.00 C ATOM 1320 CD PRO D 87 11.675 -8.618 -4.298 1.00 0.00 C ATOM 0 HA PRO D 87 13.026 -6.222 -2.379 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.199 -6.498 -4.801 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.385 -7.819 -3.665 1.00 0.00 H new ATOM 0 HG2 PRO D 87 12.505 -7.584 -6.005 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.447 -8.968 -5.484 1.00 0.00 H new ATOM 0 HD2 PRO D 87 10.740 -8.564 -4.856 1.00 0.00 H new ATOM 0 HD3 PRO D 87 11.804 -9.656 -3.991 1.00 0.00 H new ATOM 1328 N TYR D 88 12.785 -4.302 -4.126 1.00 0.00 N ATOM 1329 CA TYR D 88 12.377 -2.996 -4.719 1.00 0.00 C ATOM 1330 C TYR D 88 10.870 -2.828 -4.896 1.00 0.00 C ATOM 1331 O TYR D 88 10.314 -3.242 -5.911 1.00 0.00 O ATOM 1332 CB TYR D 88 13.040 -2.782 -6.085 1.00 0.00 C ATOM 1333 CG TYR D 88 14.550 -2.771 -6.049 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.266 -3.894 -5.668 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.256 -1.628 -6.385 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.645 -3.880 -5.623 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.633 -1.603 -6.346 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.323 -2.731 -5.964 1.00 0.00 C ATOM 1339 OH TYR D 88 18.695 -2.705 -5.920 1.00 0.00 O ATOM 0 H TYR D 88 13.765 -4.316 -3.843 1.00 0.00 H new ATOM 0 HA TYR D 88 12.711 -2.252 -3.996 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.710 -3.569 -6.763 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.691 -1.837 -6.501 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.736 -4.796 -5.402 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.718 -0.740 -6.683 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.189 -4.764 -5.323 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.168 -0.704 -6.614 1.00 0.00 H new ATOM 0 HH TYR D 88 19.014 -1.819 -6.192 1.00 0.00 H new ATOM 1349 N ILE D 89 10.216 -2.216 -3.920 1.00 0.00 N ATOM 1350 CA ILE D 89 8.775 -2.007 -3.986 1.00 0.00 C ATOM 1351 C ILE D 89 8.407 -0.539 -4.168 1.00 0.00 C ATOM 1352 O ILE D 89 8.966 0.346 -3.519 1.00 0.00 O ATOM 1353 CB ILE D 89 8.089 -2.541 -2.718 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.409 -4.023 -2.524 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.590 -2.376 -2.827 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.792 -4.589 -1.272 1.00 0.00 C ATOM 0 H ILE D 89 10.658 -1.856 -3.074 1.00 0.00 H new ATOM 0 HA ILE D 89 8.425 -2.557 -4.860 1.00 0.00 H new ATOM 0 HB ILE D 89 8.461 -1.973 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE D 89 8.051 -4.584 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.490 -4.155 -2.484 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.115 -2.758 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.348 -1.320 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.225 -2.931 -3.691 1.00 0.00 H new ATOM 0 HD11 ILE D 89 8.051 -5.644 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE D 89 8.170 -4.049 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.708 -4.484 -1.321 1.00 0.00 H new ATOM 1368 N GLU D 90 7.363 -0.323 -4.955 1.00 0.00 N ATOM 1369 CA GLU D 90 6.770 0.996 -5.129 1.00 0.00 C ATOM 1370 C GLU D 90 5.282 0.942 -4.781 1.00 0.00 C ATOM 1371 O GLU D 90 4.450 0.644 -5.631 1.00 0.00 O ATOM 1372 CB GLU D 90 6.950 1.483 -6.572 1.00 0.00 C ATOM 1373 CG GLU D 90 8.402 1.655 -6.996 1.00 0.00 C ATOM 1374 CD GLU D 90 9.093 2.776 -6.257 1.00 0.00 C ATOM 1375 OE1 GLU D 90 8.654 3.932 -6.394 1.00 0.00 O ATOM 1376 OE2 GLU D 90 10.067 2.506 -5.534 1.00 0.00 O1- ATOM 0 H GLU D 90 6.902 -1.058 -5.492 1.00 0.00 H new ATOM 0 HA GLU D 90 7.274 1.696 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.468 0.774 -7.246 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.434 2.436 -6.689 1.00 0.00 H new ATOM 0 HG2 GLU D 90 8.940 0.723 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU D 90 8.443 1.851 -8.067 1.00 0.00 H new ATOM 1383 N ILE D 91 4.955 1.204 -3.530 1.00 0.00 N ATOM 1384 CA ILE D 91 3.574 1.166 -3.074 1.00 0.00 C ATOM 1385 C ILE D 91 2.988 2.582 -3.124 1.00 0.00 C ATOM 1386 O ILE D 91 3.187 3.378 -2.203 1.00 0.00 O ATOM 1387 CB ILE D 91 3.487 0.590 -1.630 1.00 0.00 C ATOM 1388 CG1 ILE D 91 4.156 -0.774 -1.546 1.00 0.00 C ATOM 1389 CG2 ILE D 91 2.058 0.448 -1.148 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.965 -1.455 -0.205 1.00 0.00 C ATOM 0 H ILE D 91 5.630 1.447 -2.805 1.00 0.00 H new ATOM 0 HA ILE D 91 2.998 0.513 -3.729 1.00 0.00 H new ATOM 0 HB ILE D 91 4.004 1.306 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.757 -1.416 -2.331 1.00 0.00 H new ATOM 0 HG13 ILE D 91 5.223 -0.660 -1.739 1.00 0.00 H new ATOM 0 HG21 ILE D 91 2.054 0.042 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE D 91 1.575 1.425 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.516 -0.226 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.467 -2.422 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE D 91 4.390 -0.833 0.583 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.901 -1.600 -0.019 1.00 0.00 H new ATOM 1402 N LYS D 92 2.223 2.878 -4.183 1.00 0.00 N ATOM 1403 CA LYS D 92 1.566 4.179 -4.319 1.00 0.00 C ATOM 1404 C LYS D 92 0.429 4.069 -5.329 1.00 0.00 C ATOM 1405 O LYS D 92 0.376 3.108 -6.101 1.00 0.00 O ATOM 1406 CB LYS D 92 2.557 5.277 -4.755 1.00 0.00 C ATOM 1407 CG LYS D 92 2.708 5.465 -6.267 1.00 0.00 C ATOM 1408 CD LYS D 92 3.225 4.239 -7.009 1.00 0.00 C ATOM 1409 CE LYS D 92 3.270 4.516 -8.506 1.00 0.00 C ATOM 1410 NZ LYS D 92 4.313 3.715 -9.203 1.00 0.00 N1+ ATOM 0 H LYS D 92 2.046 2.235 -4.954 1.00 0.00 H new ATOM 0 HA LYS D 92 1.170 4.464 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS D 92 2.239 6.224 -4.319 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.536 5.046 -4.335 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.740 5.745 -6.684 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.387 6.298 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS D 92 4.220 3.979 -6.649 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.580 3.384 -6.808 1.00 0.00 H new ATOM 0 HE2 LYS D 92 2.296 4.296 -8.942 1.00 0.00 H new ATOM 0 HE3 LYS D 92 3.461 5.577 -8.670 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 4.614 4.212 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 5.131 3.587 -8.573 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.924 2.785 -9.458 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.441 5.072 -5.384 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.493 5.053 -6.381 1.00 0.00 C ATOM 1426 C GLN D 93 -0.963 5.541 -7.712 1.00 0.00 C ATOM 1427 O GLN D 93 0.179 5.988 -7.820 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.704 5.871 -5.980 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.426 7.349 -5.898 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.660 8.153 -5.557 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.245 7.985 -4.483 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -4.074 9.023 -6.466 1.00 0.00 N ATOM 0 H GLN D 93 -0.438 5.884 -4.767 1.00 0.00 H new ATOM 0 HA GLN D 93 -1.821 4.017 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.504 5.699 -6.700 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.065 5.522 -5.012 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.659 7.530 -5.145 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -2.024 7.693 -6.851 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -3.560 9.130 -7.341 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.906 9.586 -6.291 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.728 5.266 -8.741 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.279 5.463 -10.100 1.00 0.00 C ATOM 1443 C ILE D 94 -2.364 6.105 -10.955 1.00 0.00 C ATOM 1444 O ILE D 94 -2.203 6.150 -12.188 1.00 0.00 O ATOM 1445 CB ILE D 94 -0.889 4.106 -10.676 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.032 3.130 -10.441 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.393 3.597 -10.050 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -1.732 1.711 -10.832 1.00 0.00 C ATOM 1449 OXT ILE D 94 -3.370 6.564 -10.382 1.00 0.00 O ATOM 0 H ILE D 94 -2.677 4.900 -8.661 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.423 6.138 -10.102 1.00 0.00 H new ATOM 0 HB ILE D 94 -0.707 4.205 -11.746 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.301 3.153 -9.385 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -2.904 3.470 -10.999 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.648 2.628 -10.479 1.00 0.00 H new ATOM 0 HG22 ILE D 94 1.199 4.304 -10.246 1.00 0.00 H new ATOM 0 HG23 ILE D 94 0.256 3.493 -8.974 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -2.602 1.086 -10.630 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.494 1.669 -11.895 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -0.882 1.347 -10.255 1.00 0.00 H new TER 1461 ILE D 94