USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 HIS : no HD1:sc= -0.698 K(o=-1.7,f=-5.3!) USER MOD Set 1.2: A 74 ASN : amide:sc= -1.03 K(o=-1.7,f=-6.6!) USER MOD Set 2.1: A 9 MET CE :methyl -125:sc= -0.173 (180deg=-2.12!) USER MOD Set 2.2: A 69 MET CE :methyl -134:sc= -0.636 (180deg=-1.77) USER MOD Set 3.1: A 3 ASN :FLIP amide:sc= -0.34 F(o=-3.2,f=-0.93) USER MOD Set 3.2: A 37 HIS : no HE2:sc= -0.588 K(o=-0.93,f=-5.7!) USER MOD Single : A 2 MET CE :methyl 142:sc= -0.274 (180deg=-2.53!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.975 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.292 X(o=-0.29,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 144:sc= 1.3 (180deg=0.406) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -26:sc=-0.00412! USER MOD Single : A 57 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.8) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.805 K(o=-0.81,f=-3.7) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.865 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= -0.0101 (180deg=-0.396) USER MOD Single : A 83 GLN : amide:sc= -2.08! C(o=-2.1!,f=-2.2!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 86 LYS NZ :NH3+ -152:sc= -0.09 (180deg=-0.487) USER MOD ----------------------------------------------------------------- ATOM 17 N MET A 2 -30.614 -15.974 -14.915 1.00 0.00 N ATOM 18 CA MET A 2 -29.501 -16.638 -15.596 1.00 0.00 C ATOM 19 C MET A 2 -29.891 -18.025 -16.113 1.00 0.00 C ATOM 20 O MET A 2 -30.400 -18.865 -15.374 1.00 0.00 O ATOM 21 CB MET A 2 -28.269 -16.721 -14.680 1.00 0.00 C ATOM 22 CG MET A 2 -28.376 -17.737 -13.551 1.00 0.00 C ATOM 23 SD MET A 2 -28.789 -16.978 -11.969 1.00 0.00 S ATOM 24 CE MET A 2 -28.417 -18.321 -10.843 1.00 0.00 C ATOM 0 HA MET A 2 -29.245 -16.030 -16.464 1.00 0.00 H new ATOM 0 HB2 MET A 2 -27.398 -16.966 -15.288 1.00 0.00 H new ATOM 0 HB3 MET A 2 -28.089 -15.737 -14.248 1.00 0.00 H new ATOM 0 HG2 MET A 2 -29.136 -18.476 -13.804 1.00 0.00 H new ATOM 0 HG3 MET A 2 -27.430 -18.271 -13.457 1.00 0.00 H new ATOM 0 HE1 MET A 2 -27.968 -17.920 -9.934 1.00 0.00 H new ATOM 0 HE2 MET A 2 -29.336 -18.850 -10.591 1.00 0.00 H new ATOM 0 HE3 MET A 2 -27.720 -19.011 -11.318 1.00 0.00 H new ATOM 34 N ASN A 3 -29.653 -18.251 -17.401 1.00 0.00 N ATOM 35 CA ASN A 3 -29.985 -19.528 -18.025 1.00 0.00 C ATOM 36 C ASN A 3 -28.743 -20.202 -18.602 1.00 0.00 C ATOM 37 O ASN A 3 -28.317 -19.890 -19.713 1.00 0.00 O ATOM 38 CB ASN A 3 -31.025 -19.323 -19.127 1.00 0.00 C ATOM 39 CG ASN A 3 -31.925 -20.531 -19.303 1.00 0.00 C ATOM 40 OD1 ASN A 3 -32.533 -20.980 -18.211 1.00 0.00 O flip ATOM 41 ND2 ASN A 3 -32.073 -21.054 -20.408 1.00 0.00 N flip ATOM 0 H ASN A 3 -29.233 -17.569 -18.032 1.00 0.00 H new ATOM 0 HA ASN A 3 -30.399 -20.179 -17.255 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -31.634 -18.451 -18.890 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -30.517 -19.111 -20.068 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -31.586 -20.676 -21.221 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -32.682 -21.865 -20.511 1.00 0.00 H new ATOM 48 N ILE A 4 -28.174 -21.132 -17.842 1.00 0.00 N ATOM 49 CA ILE A 4 -26.989 -21.859 -18.282 1.00 0.00 C ATOM 50 C ILE A 4 -27.377 -23.205 -18.885 1.00 0.00 C ATOM 51 O ILE A 4 -28.057 -24.008 -18.246 1.00 0.00 O ATOM 52 CB ILE A 4 -26.003 -22.095 -17.120 1.00 0.00 C ATOM 53 CG1 ILE A 4 -25.715 -20.783 -16.385 1.00 0.00 C ATOM 54 CG2 ILE A 4 -24.713 -22.714 -17.636 1.00 0.00 C ATOM 55 CD1 ILE A 4 -24.749 -20.936 -15.228 1.00 0.00 C ATOM 0 H ILE A 4 -28.514 -21.400 -16.919 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.499 -21.244 -19.037 1.00 0.00 H new ATOM 0 HB ILE A 4 -26.460 -22.789 -16.415 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -25.309 -20.061 -17.093 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -26.653 -20.371 -16.012 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.028 -22.874 -16.804 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.933 -23.669 -18.114 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -24.252 -22.043 -18.361 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -24.592 -19.967 -14.754 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.162 -21.633 -14.499 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -23.797 -21.318 -15.597 1.00 0.00 H new ATOM 67 N THR A 5 -26.943 -23.449 -20.119 1.00 0.00 N ATOM 68 CA THR A 5 -27.251 -24.702 -20.799 1.00 0.00 C ATOM 69 C THR A 5 -26.016 -25.281 -21.474 1.00 0.00 C ATOM 70 O THR A 5 -25.043 -24.572 -21.729 1.00 0.00 O ATOM 71 CB THR A 5 -28.358 -24.491 -21.833 1.00 0.00 C ATOM 72 OG1 THR A 5 -28.187 -23.258 -22.509 1.00 0.00 O ATOM 73 CG2 THR A 5 -29.745 -24.505 -21.231 1.00 0.00 C ATOM 0 H THR A 5 -26.379 -22.798 -20.666 1.00 0.00 H new ATOM 0 HA THR A 5 -27.595 -25.412 -20.047 1.00 0.00 H new ATOM 0 HB THR A 5 -28.274 -25.329 -22.525 1.00 0.00 H new ATOM 0 HG1 THR A 5 -28.904 -23.143 -23.167 1.00 0.00 H new ATOM 0 HG21 THR A 5 -30.484 -24.350 -22.017 1.00 0.00 H new ATOM 0 HG22 THR A 5 -29.923 -25.467 -20.750 1.00 0.00 H new ATOM 0 HG23 THR A 5 -29.829 -23.708 -20.492 1.00 0.00 H new ATOM 81 N SER A 6 -26.063 -26.578 -21.757 1.00 0.00 N ATOM 82 CA SER A 6 -24.949 -27.266 -22.399 1.00 0.00 C ATOM 83 C SER A 6 -25.406 -28.605 -22.969 1.00 0.00 C ATOM 84 O SER A 6 -26.270 -29.271 -22.400 1.00 0.00 O ATOM 85 CB SER A 6 -23.815 -27.486 -21.398 1.00 0.00 C ATOM 86 OG SER A 6 -24.076 -28.604 -20.568 1.00 0.00 O ATOM 0 H SER A 6 -26.863 -27.176 -21.551 1.00 0.00 H new ATOM 0 HA SER A 6 -24.585 -26.643 -23.216 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.878 -27.638 -21.933 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.690 -26.594 -20.784 1.00 0.00 H new ATOM 0 HG SER A 6 -23.335 -28.724 -19.938 1.00 0.00 H new ATOM 92 N LYS A 7 -24.825 -28.990 -24.101 1.00 0.00 N ATOM 93 CA LYS A 7 -25.179 -30.247 -24.752 1.00 0.00 C ATOM 94 C LYS A 7 -24.117 -31.320 -24.517 1.00 0.00 C ATOM 95 O LYS A 7 -24.299 -32.476 -24.901 1.00 0.00 O ATOM 96 CB LYS A 7 -25.368 -30.027 -26.254 1.00 0.00 C ATOM 97 CG LYS A 7 -26.558 -29.145 -26.594 1.00 0.00 C ATOM 98 CD LYS A 7 -27.866 -29.776 -26.144 1.00 0.00 C ATOM 99 CE LYS A 7 -29.059 -28.911 -26.517 1.00 0.00 C ATOM 100 NZ LYS A 7 -29.639 -29.302 -27.831 1.00 0.00 N ATOM 0 H LYS A 7 -24.108 -28.451 -24.586 1.00 0.00 H new ATOM 0 HA LYS A 7 -26.114 -30.595 -24.313 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -24.464 -29.577 -26.664 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -25.492 -30.994 -26.742 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -26.439 -28.172 -26.117 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -26.588 -28.971 -27.670 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -27.972 -30.760 -26.600 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -27.847 -29.925 -25.064 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -29.823 -28.993 -25.744 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -28.753 -27.866 -26.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -30.450 -28.688 -28.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -28.918 -29.199 -28.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -29.955 -30.292 -27.790 1.00 0.00 H new ATOM 114 N GLN A 8 -23.009 -30.937 -23.890 1.00 0.00 N ATOM 115 CA GLN A 8 -21.931 -31.868 -23.615 1.00 0.00 C ATOM 116 C GLN A 8 -21.980 -32.358 -22.172 1.00 0.00 C ATOM 117 O GLN A 8 -21.537 -33.466 -21.868 1.00 0.00 O ATOM 118 CB GLN A 8 -20.578 -31.216 -23.901 1.00 0.00 C ATOM 119 CG GLN A 8 -19.541 -32.185 -24.445 1.00 0.00 C ATOM 120 CD GLN A 8 -19.554 -32.265 -25.959 1.00 0.00 C ATOM 121 OE1 GLN A 8 -19.925 -33.287 -26.535 1.00 0.00 O ATOM 122 NE2 GLN A 8 -19.146 -31.182 -26.612 1.00 0.00 N ATOM 0 H GLN A 8 -22.838 -29.986 -23.564 1.00 0.00 H new ATOM 0 HA GLN A 8 -22.057 -32.729 -24.272 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.718 -30.406 -24.617 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.198 -30.768 -22.983 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -18.551 -31.877 -24.110 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -19.724 -33.177 -24.031 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.847 -30.356 -26.093 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -19.132 -31.176 -27.632 1.00 0.00 H new ATOM 131 N MET A 9 -22.519 -31.527 -21.284 1.00 0.00 N ATOM 132 CA MET A 9 -22.619 -31.883 -19.874 1.00 0.00 C ATOM 133 C MET A 9 -23.951 -31.424 -19.285 1.00 0.00 C ATOM 134 O MET A 9 -24.813 -30.912 -19.998 1.00 0.00 O ATOM 135 CB MET A 9 -21.462 -31.263 -19.086 1.00 0.00 C ATOM 136 CG MET A 9 -20.094 -31.572 -19.673 1.00 0.00 C ATOM 137 SD MET A 9 -18.746 -30.928 -18.665 1.00 0.00 S ATOM 138 CE MET A 9 -18.455 -29.348 -19.457 1.00 0.00 C ATOM 0 H MET A 9 -22.892 -30.606 -21.516 1.00 0.00 H new ATOM 0 HA MET A 9 -22.564 -32.969 -19.798 1.00 0.00 H new ATOM 0 HB2 MET A 9 -21.597 -30.182 -19.048 1.00 0.00 H new ATOM 0 HB3 MET A 9 -21.498 -31.625 -18.058 1.00 0.00 H new ATOM 0 HG2 MET A 9 -19.982 -32.651 -19.776 1.00 0.00 H new ATOM 0 HG3 MET A 9 -20.028 -31.148 -20.675 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.407 -29.274 -19.748 1.00 0.00 H new ATOM 0 HE2 MET A 9 -19.084 -29.264 -20.343 1.00 0.00 H new ATOM 0 HE3 MET A 9 -18.696 -28.543 -18.763 1.00 0.00 H new ATOM 148 N GLU A 10 -24.107 -31.617 -17.980 1.00 0.00 N ATOM 149 CA GLU A 10 -25.330 -31.227 -17.287 1.00 0.00 C ATOM 150 C GLU A 10 -25.066 -30.052 -16.349 1.00 0.00 C ATOM 151 O GLU A 10 -23.914 -29.712 -16.078 1.00 0.00 O ATOM 152 CB GLU A 10 -25.884 -32.415 -16.496 1.00 0.00 C ATOM 153 CG GLU A 10 -27.260 -32.167 -15.901 1.00 0.00 C ATOM 154 CD GLU A 10 -28.069 -33.441 -15.751 1.00 0.00 C ATOM 155 OE1 GLU A 10 -28.598 -33.931 -16.771 1.00 0.00 O ATOM 156 OE2 GLU A 10 -28.173 -33.948 -14.615 1.00 0.00 O ATOM 0 H GLU A 10 -23.400 -32.042 -17.379 1.00 0.00 H new ATOM 0 HA GLU A 10 -26.065 -30.917 -18.030 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.933 -33.285 -17.151 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -25.190 -32.660 -15.692 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -27.150 -31.694 -14.925 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.805 -31.467 -16.535 1.00 0.00 H new ATOM 163 N ILE A 11 -26.135 -29.427 -15.862 1.00 0.00 N ATOM 164 CA ILE A 11 -26.008 -28.288 -14.966 1.00 0.00 C ATOM 165 C ILE A 11 -25.964 -28.738 -13.511 1.00 0.00 C ATOM 166 O ILE A 11 -26.968 -29.179 -12.951 1.00 0.00 O ATOM 167 CB ILE A 11 -27.176 -27.309 -15.154 1.00 0.00 C ATOM 168 CG1 ILE A 11 -27.400 -27.048 -16.645 1.00 0.00 C ATOM 169 CG2 ILE A 11 -26.915 -26.012 -14.400 1.00 0.00 C ATOM 170 CD1 ILE A 11 -26.427 -26.055 -17.245 1.00 0.00 C ATOM 0 H ILE A 11 -27.097 -29.692 -16.074 1.00 0.00 H new ATOM 0 HA ILE A 11 -25.073 -27.785 -15.213 1.00 0.00 H new ATOM 0 HB ILE A 11 -28.082 -27.753 -14.742 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -27.321 -27.991 -17.185 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -28.416 -26.681 -16.791 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -27.754 -25.331 -14.546 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -26.801 -26.226 -13.337 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -26.003 -25.549 -14.777 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -26.649 -25.922 -18.304 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -26.521 -25.098 -16.732 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -25.409 -26.429 -17.132 1.00 0.00 H new ATOM 182 N THR A 12 -24.789 -28.616 -12.909 1.00 0.00 N ATOM 183 CA THR A 12 -24.593 -28.999 -11.517 1.00 0.00 C ATOM 184 C THR A 12 -24.685 -27.784 -10.597 1.00 0.00 C ATOM 185 O THR A 12 -24.423 -26.658 -11.020 1.00 0.00 O ATOM 186 CB THR A 12 -23.236 -29.682 -11.345 1.00 0.00 C ATOM 187 OG1 THR A 12 -22.186 -28.733 -11.392 1.00 0.00 O ATOM 188 CG2 THR A 12 -22.957 -30.729 -12.402 1.00 0.00 C ATOM 0 H THR A 12 -23.952 -28.253 -13.366 1.00 0.00 H new ATOM 0 HA THR A 12 -25.384 -29.697 -11.243 1.00 0.00 H new ATOM 0 HB THR A 12 -23.280 -30.172 -10.372 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.327 -29.190 -11.278 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.979 -31.175 -12.223 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.723 -31.503 -12.358 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.968 -30.263 -13.387 1.00 0.00 H new ATOM 196 N PRO A 13 -25.044 -27.996 -9.320 1.00 0.00 N ATOM 197 CA PRO A 13 -25.152 -26.908 -8.341 1.00 0.00 C ATOM 198 C PRO A 13 -23.832 -26.169 -8.160 1.00 0.00 C ATOM 199 O PRO A 13 -23.804 -25.047 -7.655 1.00 0.00 O ATOM 200 CB PRO A 13 -25.554 -27.617 -7.043 1.00 0.00 C ATOM 201 CG PRO A 13 -26.104 -28.935 -7.473 1.00 0.00 C ATOM 202 CD PRO A 13 -25.361 -29.304 -8.725 1.00 0.00 C ATOM 0 HA PRO A 13 -25.868 -26.149 -8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.697 -27.745 -6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -26.298 -27.040 -6.493 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -25.962 -29.689 -6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -27.176 -28.868 -7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -24.460 -29.877 -8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -25.971 -29.913 -9.392 1.00 0.00 H new ATOM 210 N ALA A 14 -22.737 -26.796 -8.582 1.00 0.00 N ATOM 211 CA ALA A 14 -21.422 -26.182 -8.467 1.00 0.00 C ATOM 212 C ALA A 14 -21.179 -25.218 -9.620 1.00 0.00 C ATOM 213 O ALA A 14 -20.687 -24.108 -9.422 1.00 0.00 O ATOM 214 CB ALA A 14 -20.339 -27.248 -8.426 1.00 0.00 C ATOM 0 H ALA A 14 -22.736 -27.724 -9.004 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.386 -25.618 -7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.362 -26.771 -8.340 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.502 -27.899 -7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.375 -27.839 -9.341 1.00 0.00 H new ATOM 220 N ILE A 15 -21.546 -25.645 -10.824 1.00 0.00 N ATOM 221 CA ILE A 15 -21.385 -24.811 -12.003 1.00 0.00 C ATOM 222 C ILE A 15 -22.411 -23.688 -11.977 1.00 0.00 C ATOM 223 O ILE A 15 -22.182 -22.606 -12.516 1.00 0.00 O ATOM 224 CB ILE A 15 -21.547 -25.623 -13.303 1.00 0.00 C ATOM 225 CG1 ILE A 15 -20.600 -26.824 -13.301 1.00 0.00 C ATOM 226 CG2 ILE A 15 -21.288 -24.741 -14.516 1.00 0.00 C ATOM 227 CD1 ILE A 15 -21.027 -27.932 -14.237 1.00 0.00 C ATOM 0 H ILE A 15 -21.955 -26.561 -11.006 1.00 0.00 H new ATOM 0 HA ILE A 15 -20.376 -24.400 -11.986 1.00 0.00 H new ATOM 0 HB ILE A 15 -22.572 -25.991 -13.358 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.601 -26.489 -13.580 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -20.532 -27.221 -12.288 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.406 -25.330 -15.426 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -21.999 -23.915 -14.523 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.273 -24.346 -14.469 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -20.309 -28.750 -14.183 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -22.013 -28.294 -13.946 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -21.067 -27.551 -15.257 1.00 0.00 H new ATOM 239 N ARG A 16 -23.538 -23.952 -11.320 1.00 0.00 N ATOM 240 CA ARG A 16 -24.591 -22.966 -11.191 1.00 0.00 C ATOM 241 C ARG A 16 -24.184 -21.924 -10.154 1.00 0.00 C ATOM 242 O ARG A 16 -24.331 -20.722 -10.371 1.00 0.00 O ATOM 243 CB ARG A 16 -25.905 -23.651 -10.790 1.00 0.00 C ATOM 244 CG ARG A 16 -26.863 -22.761 -10.017 1.00 0.00 C ATOM 245 CD ARG A 16 -28.269 -23.337 -9.997 1.00 0.00 C ATOM 246 NE ARG A 16 -28.844 -23.423 -11.338 1.00 0.00 N ATOM 247 CZ ARG A 16 -29.882 -24.195 -11.652 1.00 0.00 C ATOM 248 NH1 ARG A 16 -30.463 -24.948 -10.726 1.00 0.00 N ATOM 249 NH2 ARG A 16 -30.341 -24.214 -12.896 1.00 0.00 N ATOM 0 H ARG A 16 -23.739 -24.845 -10.870 1.00 0.00 H new ATOM 0 HA ARG A 16 -24.746 -22.467 -12.148 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -26.405 -24.007 -11.691 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -25.674 -24.528 -10.185 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -26.504 -22.640 -8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -26.882 -21.769 -10.467 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -28.248 -24.330 -9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -28.907 -22.716 -9.368 1.00 0.00 H new ATOM 0 HE ARG A 16 -28.425 -22.858 -12.077 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -30.114 -24.937 -9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -31.258 -25.537 -10.973 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -29.899 -23.637 -13.612 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -31.136 -24.805 -13.137 1.00 0.00 H new ATOM 263 N GLN A 17 -23.654 -22.405 -9.032 1.00 0.00 N ATOM 264 CA GLN A 17 -23.198 -21.533 -7.958 1.00 0.00 C ATOM 265 C GLN A 17 -21.976 -20.734 -8.395 1.00 0.00 C ATOM 266 O GLN A 17 -21.860 -19.552 -8.077 1.00 0.00 O ATOM 267 CB GLN A 17 -22.890 -22.354 -6.703 1.00 0.00 C ATOM 268 CG GLN A 17 -22.230 -21.553 -5.591 1.00 0.00 C ATOM 269 CD GLN A 17 -22.826 -21.847 -4.228 1.00 0.00 C ATOM 270 OE1 GLN A 17 -22.598 -22.911 -3.654 1.00 0.00 O ATOM 271 NE2 GLN A 17 -23.596 -20.901 -3.703 1.00 0.00 N ATOM 0 H GLN A 17 -23.530 -23.400 -8.845 1.00 0.00 H new ATOM 0 HA GLN A 17 -23.995 -20.828 -7.722 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -23.817 -22.785 -6.326 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -22.239 -23.185 -6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -21.163 -21.775 -5.572 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -22.331 -20.489 -5.806 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -23.758 -20.033 -4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -24.025 -21.042 -2.788 1.00 0.00 H new ATOM 280 N HIS A 18 -21.073 -21.364 -9.138 1.00 0.00 N ATOM 281 CA HIS A 18 -19.885 -20.667 -9.617 1.00 0.00 C ATOM 282 C HIS A 18 -20.295 -19.488 -10.496 1.00 0.00 C ATOM 283 O HIS A 18 -19.958 -18.337 -10.204 1.00 0.00 O ATOM 284 CB HIS A 18 -18.949 -21.619 -10.370 1.00 0.00 C ATOM 285 CG HIS A 18 -17.798 -20.932 -11.040 1.00 0.00 C ATOM 286 ND1 HIS A 18 -16.656 -20.548 -10.369 1.00 0.00 N ATOM 287 CD2 HIS A 18 -17.617 -20.561 -12.331 1.00 0.00 C ATOM 288 CE1 HIS A 18 -15.823 -19.970 -11.217 1.00 0.00 C ATOM 289 NE2 HIS A 18 -16.381 -19.966 -12.413 1.00 0.00 N ATOM 0 H HIS A 18 -21.138 -22.342 -9.419 1.00 0.00 H new ATOM 0 HA HIS A 18 -19.335 -20.286 -8.757 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -18.561 -22.360 -9.671 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -19.524 -22.160 -11.121 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -18.314 -20.706 -13.143 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.850 -19.569 -10.973 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -15.963 -19.583 -13.261 1.00 0.00 H new ATOM 298 N VAL A 19 -21.050 -19.765 -11.551 1.00 0.00 N ATOM 299 CA VAL A 19 -21.521 -18.711 -12.432 1.00 0.00 C ATOM 300 C VAL A 19 -22.405 -17.737 -11.660 1.00 0.00 C ATOM 301 O VAL A 19 -22.232 -16.521 -11.751 1.00 0.00 O ATOM 302 CB VAL A 19 -22.315 -19.282 -13.621 1.00 0.00 C ATOM 303 CG1 VAL A 19 -22.676 -18.177 -14.600 1.00 0.00 C ATOM 304 CG2 VAL A 19 -21.526 -20.384 -14.315 1.00 0.00 C ATOM 0 H VAL A 19 -21.346 -20.705 -11.814 1.00 0.00 H new ATOM 0 HA VAL A 19 -20.645 -18.191 -12.819 1.00 0.00 H new ATOM 0 HB VAL A 19 -23.239 -19.716 -13.241 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -23.237 -18.599 -15.434 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -23.286 -17.428 -14.095 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -21.765 -17.711 -14.974 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -22.105 -20.774 -15.152 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -20.583 -19.980 -14.683 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -21.325 -21.188 -13.607 1.00 0.00 H new ATOM 314 N ALA A 20 -23.347 -18.279 -10.896 1.00 0.00 N ATOM 315 CA ALA A 20 -24.256 -17.459 -10.102 1.00 0.00 C ATOM 316 C ALA A 20 -23.505 -16.556 -9.125 1.00 0.00 C ATOM 317 O ALA A 20 -23.856 -15.387 -8.967 1.00 0.00 O ATOM 318 CB ALA A 20 -25.261 -18.327 -9.371 1.00 0.00 C ATOM 0 H ALA A 20 -23.502 -19.284 -10.809 1.00 0.00 H new ATOM 0 HA ALA A 20 -24.795 -16.810 -10.792 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -25.929 -17.696 -8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -25.843 -18.898 -10.095 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -24.735 -19.013 -8.707 1.00 0.00 H new ATOM 324 N ASP A 21 -22.476 -17.086 -8.467 1.00 0.00 N ATOM 325 CA ASP A 21 -21.708 -16.287 -7.517 1.00 0.00 C ATOM 326 C ASP A 21 -21.099 -15.081 -8.221 1.00 0.00 C ATOM 327 O ASP A 21 -20.995 -13.996 -7.649 1.00 0.00 O ATOM 328 CB ASP A 21 -20.613 -17.125 -6.836 1.00 0.00 C ATOM 329 CG ASP A 21 -19.366 -17.304 -7.688 1.00 0.00 C ATOM 330 OD1 ASP A 21 -18.769 -16.286 -8.096 1.00 0.00 O ATOM 331 OD2 ASP A 21 -18.978 -18.462 -7.931 1.00 0.00 O ATOM 0 H ASP A 21 -22.159 -18.050 -8.572 1.00 0.00 H new ATOM 0 HA ASP A 21 -22.388 -15.938 -6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.335 -16.649 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.019 -18.106 -6.589 1.00 0.00 H new ATOM 336 N ARG A 22 -20.710 -15.284 -9.475 1.00 0.00 N ATOM 337 CA ARG A 22 -20.122 -14.218 -10.275 1.00 0.00 C ATOM 338 C ARG A 22 -21.201 -13.253 -10.757 1.00 0.00 C ATOM 339 O ARG A 22 -20.932 -12.076 -10.996 1.00 0.00 O ATOM 340 CB ARG A 22 -19.377 -14.801 -11.475 1.00 0.00 C ATOM 341 CG ARG A 22 -18.119 -15.568 -11.098 1.00 0.00 C ATOM 342 CD ARG A 22 -17.026 -14.636 -10.604 1.00 0.00 C ATOM 343 NE ARG A 22 -16.387 -13.911 -11.700 1.00 0.00 N ATOM 344 CZ ARG A 22 -15.672 -12.799 -11.537 1.00 0.00 C ATOM 345 NH1 ARG A 22 -15.502 -12.283 -10.327 1.00 0.00 N ATOM 346 NH2 ARG A 22 -15.127 -12.203 -12.588 1.00 0.00 N ATOM 0 H ARG A 22 -20.792 -16.178 -9.959 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.415 -13.673 -9.649 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -20.047 -15.465 -12.020 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.109 -13.991 -12.154 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.355 -16.297 -10.323 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.759 -16.126 -11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.450 -13.923 -9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.275 -15.213 -10.064 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.495 -14.278 -12.646 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.920 -12.738 -9.515 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.953 -11.431 -10.208 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.255 -12.596 -13.521 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.579 -11.351 -12.464 1.00 0.00 H new ATOM 360 N LEU A 23 -22.426 -13.753 -10.886 1.00 0.00 N ATOM 361 CA LEU A 23 -23.539 -12.923 -11.328 1.00 0.00 C ATOM 362 C LEU A 23 -23.878 -11.884 -10.266 1.00 0.00 C ATOM 363 O LEU A 23 -23.874 -10.681 -10.531 1.00 0.00 O ATOM 364 CB LEU A 23 -24.775 -13.784 -11.620 1.00 0.00 C ATOM 365 CG LEU A 23 -24.556 -14.973 -12.565 1.00 0.00 C ATOM 366 CD1 LEU A 23 -25.847 -15.314 -13.291 1.00 0.00 C ATOM 367 CD2 LEU A 23 -23.445 -14.682 -13.565 1.00 0.00 C ATOM 0 H LEU A 23 -22.671 -14.724 -10.692 1.00 0.00 H new ATOM 0 HA LEU A 23 -23.240 -12.415 -12.245 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -25.161 -14.163 -10.674 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -25.547 -13.144 -12.046 1.00 0.00 H new ATOM 0 HG LEU A 23 -24.252 -15.831 -11.965 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -25.677 -16.159 -13.958 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -26.616 -15.575 -12.563 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.176 -14.453 -13.873 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -23.312 -15.542 -14.222 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -23.711 -13.809 -14.160 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -22.516 -14.487 -13.030 1.00 0.00 H new ATOM 379 N ALA A 24 -24.165 -12.363 -9.060 1.00 0.00 N ATOM 380 CA ALA A 24 -24.503 -11.489 -7.942 1.00 0.00 C ATOM 381 C ALA A 24 -23.358 -10.534 -7.617 1.00 0.00 C ATOM 382 O ALA A 24 -23.575 -9.466 -7.044 1.00 0.00 O ATOM 383 CB ALA A 24 -24.871 -12.314 -6.718 1.00 0.00 C ATOM 0 H ALA A 24 -24.170 -13.357 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 24 -25.365 -10.889 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -25.121 -11.648 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -25.730 -12.944 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -24.026 -12.942 -6.435 1.00 0.00 H new ATOM 389 N LYS A 25 -22.142 -10.916 -7.993 1.00 0.00 N ATOM 390 CA LYS A 25 -20.972 -10.083 -7.748 1.00 0.00 C ATOM 391 C LYS A 25 -20.901 -8.956 -8.770 1.00 0.00 C ATOM 392 O LYS A 25 -20.414 -7.863 -8.479 1.00 0.00 O ATOM 393 CB LYS A 25 -19.696 -10.925 -7.809 1.00 0.00 C ATOM 394 CG LYS A 25 -18.460 -10.194 -7.308 1.00 0.00 C ATOM 395 CD LYS A 25 -17.715 -9.515 -8.446 1.00 0.00 C ATOM 396 CE LYS A 25 -16.995 -8.263 -7.971 1.00 0.00 C ATOM 397 NZ LYS A 25 -17.771 -7.028 -8.269 1.00 0.00 N ATOM 0 H LYS A 25 -21.942 -11.796 -8.468 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.060 -9.650 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.838 -11.829 -7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.528 -11.242 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.752 -9.449 -6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -17.797 -10.899 -6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.994 -10.210 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.417 -9.254 -9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.819 -8.331 -6.897 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.018 -8.202 -8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.644 -6.343 -7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -17.432 -6.612 -9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -18.780 -7.265 -8.359 1.00 0.00 H new ATOM 411 N LEU A 26 -21.401 -9.232 -9.969 1.00 0.00 N ATOM 412 CA LEU A 26 -21.414 -8.253 -11.049 1.00 0.00 C ATOM 413 C LEU A 26 -22.578 -7.279 -10.879 1.00 0.00 C ATOM 414 O LEU A 26 -23.413 -7.129 -11.773 1.00 0.00 O ATOM 415 CB LEU A 26 -21.526 -8.973 -12.394 1.00 0.00 C ATOM 416 CG LEU A 26 -20.284 -9.761 -12.816 1.00 0.00 C ATOM 417 CD1 LEU A 26 -20.682 -11.049 -13.519 1.00 0.00 C ATOM 418 CD2 LEU A 26 -19.394 -8.917 -13.714 1.00 0.00 C ATOM 0 H LEU A 26 -21.806 -10.134 -10.219 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.484 -7.685 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -22.374 -9.657 -12.353 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -21.748 -8.236 -13.165 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.721 -10.018 -11.919 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.786 -11.596 -13.812 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -21.277 -11.663 -12.843 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -21.269 -10.813 -14.407 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.516 -9.495 -14.003 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.948 -8.627 -14.607 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.079 -8.023 -13.177 1.00 0.00 H new ATOM 592 N PRO A 36 -31.062 -13.297 -19.923 1.00 0.00 N ATOM 593 CA PRO A 36 -29.931 -13.715 -20.761 1.00 0.00 C ATOM 594 C PRO A 36 -29.840 -15.224 -20.945 1.00 0.00 C ATOM 595 O PRO A 36 -30.580 -15.984 -20.319 1.00 0.00 O ATOM 596 CB PRO A 36 -28.728 -13.206 -19.972 1.00 0.00 C ATOM 597 CG PRO A 36 -29.158 -13.301 -18.550 1.00 0.00 C ATOM 598 CD PRO A 36 -30.636 -13.000 -18.541 1.00 0.00 C ATOM 0 HA PRO A 36 -30.013 -13.324 -21.775 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.842 -13.812 -20.162 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.477 -12.181 -20.245 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -28.960 -14.295 -18.148 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.612 -12.591 -17.929 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.166 -13.619 -17.817 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -30.831 -11.961 -18.276 1.00 0.00 H new ATOM 606 N HIS A 37 -28.920 -15.651 -21.809 1.00 0.00 N ATOM 607 CA HIS A 37 -28.724 -17.070 -22.078 1.00 0.00 C ATOM 608 C HIS A 37 -27.240 -17.403 -22.221 1.00 0.00 C ATOM 609 O HIS A 37 -26.528 -16.786 -23.014 1.00 0.00 O ATOM 610 CB HIS A 37 -29.474 -17.479 -23.346 1.00 0.00 C ATOM 611 CG HIS A 37 -30.245 -18.756 -23.202 1.00 0.00 C ATOM 612 ND1 HIS A 37 -31.505 -18.939 -23.732 1.00 0.00 N ATOM 613 CD2 HIS A 37 -29.928 -19.917 -22.581 1.00 0.00 C ATOM 614 CE1 HIS A 37 -31.928 -20.157 -23.446 1.00 0.00 C ATOM 615 NE2 HIS A 37 -30.989 -20.772 -22.749 1.00 0.00 N ATOM 0 H HIS A 37 -28.300 -15.033 -22.333 1.00 0.00 H new ATOM 0 HA HIS A 37 -29.121 -17.630 -21.231 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -30.160 -16.680 -23.626 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -28.759 -17.586 -24.162 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -32.029 -18.242 -24.262 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -29.011 -20.131 -22.052 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -32.880 -20.579 -23.733 1.00 0.00 H new ATOM 624 N ILE A 38 -26.786 -18.386 -21.454 1.00 0.00 N ATOM 625 CA ILE A 38 -25.392 -18.817 -21.492 1.00 0.00 C ATOM 626 C ILE A 38 -25.299 -20.277 -21.919 1.00 0.00 C ATOM 627 O ILE A 38 -26.076 -21.118 -21.468 1.00 0.00 O ATOM 628 CB ILE A 38 -24.709 -18.634 -20.121 1.00 0.00 C ATOM 629 CG1 ILE A 38 -24.813 -17.176 -19.666 1.00 0.00 C ATOM 630 CG2 ILE A 38 -23.250 -19.068 -20.188 1.00 0.00 C ATOM 631 CD1 ILE A 38 -26.205 -16.771 -19.232 1.00 0.00 C ATOM 0 H ILE A 38 -27.366 -18.903 -20.794 1.00 0.00 H new ATOM 0 HA ILE A 38 -24.874 -18.193 -22.220 1.00 0.00 H new ATOM 0 HB ILE A 38 -25.221 -19.263 -19.393 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -24.122 -17.013 -18.839 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -24.493 -16.527 -20.481 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -22.785 -18.932 -19.212 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -23.196 -20.119 -20.472 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -22.724 -18.464 -20.928 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -26.200 -15.726 -18.924 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -26.898 -16.901 -20.064 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -26.521 -17.394 -18.396 1.00 0.00 H new ATOM 643 N ILE A 39 -24.349 -20.569 -22.803 1.00 0.00 N ATOM 644 CA ILE A 39 -24.163 -21.924 -23.304 1.00 0.00 C ATOM 645 C ILE A 39 -22.760 -22.445 -23.005 1.00 0.00 C ATOM 646 O ILE A 39 -21.795 -21.683 -22.965 1.00 0.00 O ATOM 647 CB ILE A 39 -24.410 -21.993 -24.824 1.00 0.00 C ATOM 648 CG1 ILE A 39 -25.761 -21.367 -25.175 1.00 0.00 C ATOM 649 CG2 ILE A 39 -24.348 -23.435 -25.308 1.00 0.00 C ATOM 650 CD1 ILE A 39 -25.730 -20.529 -26.434 1.00 0.00 C ATOM 0 H ILE A 39 -23.697 -19.884 -23.186 1.00 0.00 H new ATOM 0 HA ILE A 39 -24.891 -22.551 -22.790 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.627 -21.427 -25.328 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -26.500 -22.160 -25.294 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -26.092 -20.746 -24.343 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.525 -23.466 -26.383 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -23.364 -23.850 -25.090 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -25.111 -24.023 -24.798 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -26.722 -20.117 -26.621 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -25.016 -19.715 -26.312 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -25.430 -21.151 -27.278 1.00 0.00 H new ATOM 662 N LEU A 40 -22.664 -23.754 -22.806 1.00 0.00 N ATOM 663 CA LEU A 40 -21.389 -24.402 -22.519 1.00 0.00 C ATOM 664 C LEU A 40 -21.113 -25.513 -23.524 1.00 0.00 C ATOM 665 O LEU A 40 -21.941 -26.402 -23.727 1.00 0.00 O ATOM 666 CB LEU A 40 -21.389 -24.974 -21.099 1.00 0.00 C ATOM 667 CG LEU A 40 -22.058 -24.093 -20.042 1.00 0.00 C ATOM 668 CD1 LEU A 40 -22.680 -24.950 -18.951 1.00 0.00 C ATOM 669 CD2 LEU A 40 -21.052 -23.118 -19.448 1.00 0.00 C ATOM 0 H LEU A 40 -23.459 -24.392 -22.838 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.601 -23.653 -22.600 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.892 -25.941 -21.114 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -20.357 -25.156 -20.798 1.00 0.00 H new ATOM 0 HG LEU A 40 -22.851 -23.519 -20.522 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -23.151 -24.307 -18.208 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -23.430 -25.609 -19.389 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -21.905 -25.550 -18.473 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -21.544 -22.499 -18.698 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -20.238 -23.674 -18.982 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -20.652 -22.482 -20.238 1.00 0.00 H new ATOM 681 N SER A 41 -19.943 -25.457 -24.150 1.00 0.00 N ATOM 682 CA SER A 41 -19.549 -26.456 -25.134 1.00 0.00 C ATOM 683 C SER A 41 -18.222 -27.095 -24.744 1.00 0.00 C ATOM 684 O SER A 41 -17.687 -26.828 -23.667 1.00 0.00 O ATOM 685 CB SER A 41 -19.438 -25.822 -26.522 1.00 0.00 C ATOM 686 OG SER A 41 -20.506 -24.922 -26.760 1.00 0.00 O ATOM 0 H SER A 41 -19.249 -24.727 -23.992 1.00 0.00 H new ATOM 0 HA SER A 41 -20.315 -27.231 -25.162 1.00 0.00 H new ATOM 0 HB2 SER A 41 -18.488 -25.295 -26.609 1.00 0.00 H new ATOM 0 HB3 SER A 41 -19.440 -26.603 -27.283 1.00 0.00 H new ATOM 0 HG SER A 41 -20.410 -24.530 -27.653 1.00 0.00 H new ATOM 692 N LYS A 42 -17.693 -27.940 -25.621 1.00 0.00 N ATOM 693 CA LYS A 42 -16.429 -28.614 -25.356 1.00 0.00 C ATOM 694 C LYS A 42 -15.802 -29.142 -26.638 1.00 0.00 C ATOM 695 O LYS A 42 -16.486 -29.657 -27.522 1.00 0.00 O ATOM 696 CB LYS A 42 -16.639 -29.763 -24.369 1.00 0.00 C ATOM 697 CG LYS A 42 -15.357 -30.496 -24.006 1.00 0.00 C ATOM 698 CD LYS A 42 -15.649 -31.841 -23.359 1.00 0.00 C ATOM 699 CE LYS A 42 -14.692 -32.916 -23.849 1.00 0.00 C ATOM 700 NZ LYS A 42 -15.147 -33.523 -25.130 1.00 0.00 N ATOM 0 H LYS A 42 -18.118 -28.174 -26.518 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.747 -27.883 -24.920 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.093 -29.371 -23.459 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.345 -30.474 -24.797 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.755 -30.645 -24.903 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.767 -29.883 -23.324 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.571 -31.749 -22.276 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.674 -32.137 -23.580 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.700 -32.485 -23.984 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.601 -33.694 -23.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.467 -34.251 -25.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.082 -33.957 -24.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.209 -32.786 -25.861 1.00 0.00 H new ATOM 714 N GLU A 43 -14.488 -29.014 -26.712 1.00 0.00 N ATOM 715 CA GLU A 43 -13.717 -29.473 -27.853 1.00 0.00 C ATOM 716 C GLU A 43 -12.530 -30.293 -27.362 1.00 0.00 C ATOM 717 O GLU A 43 -12.156 -30.203 -26.192 1.00 0.00 O ATOM 718 CB GLU A 43 -13.224 -28.276 -28.669 1.00 0.00 C ATOM 719 CG GLU A 43 -14.289 -27.674 -29.570 1.00 0.00 C ATOM 720 CD GLU A 43 -13.822 -26.406 -30.258 1.00 0.00 C ATOM 721 OE1 GLU A 43 -13.079 -25.626 -29.626 1.00 0.00 O ATOM 722 OE2 GLU A 43 -14.200 -26.193 -31.429 1.00 0.00 O ATOM 0 H GLU A 43 -13.924 -28.586 -25.978 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.348 -30.093 -28.490 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.860 -27.507 -27.987 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.377 -28.588 -29.280 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.578 -28.406 -30.324 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.179 -27.456 -28.979 1.00 0.00 H new ATOM 729 N PRO A 44 -11.912 -31.098 -28.233 1.00 0.00 N ATOM 730 CA PRO A 44 -10.759 -31.915 -27.850 1.00 0.00 C ATOM 731 C PRO A 44 -9.632 -31.073 -27.275 1.00 0.00 C ATOM 732 O PRO A 44 -8.801 -31.554 -26.505 1.00 0.00 O ATOM 733 CB PRO A 44 -10.319 -32.567 -29.164 1.00 0.00 C ATOM 734 CG PRO A 44 -10.989 -31.783 -30.242 1.00 0.00 C ATOM 735 CD PRO A 44 -12.268 -31.273 -29.647 1.00 0.00 C ATOM 0 HA PRO A 44 -11.012 -32.635 -27.072 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.235 -32.537 -29.273 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.614 -33.616 -29.200 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.358 -30.959 -30.575 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.186 -32.407 -31.114 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.584 -30.336 -30.105 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.086 -31.982 -29.775 1.00 0.00 H new ATOM 743 N GLN A 45 -9.610 -29.818 -27.677 1.00 0.00 N ATOM 744 CA GLN A 45 -8.588 -28.880 -27.240 1.00 0.00 C ATOM 745 C GLN A 45 -8.957 -28.165 -25.937 1.00 0.00 C ATOM 746 O GLN A 45 -8.131 -27.451 -25.369 1.00 0.00 O ATOM 747 CB GLN A 45 -8.319 -27.849 -28.339 1.00 0.00 C ATOM 748 CG GLN A 45 -6.844 -27.537 -28.530 1.00 0.00 C ATOM 749 CD GLN A 45 -6.275 -28.157 -29.791 1.00 0.00 C ATOM 750 OE1 GLN A 45 -6.064 -27.473 -30.792 1.00 0.00 O ATOM 751 NE2 GLN A 45 -6.022 -29.460 -29.748 1.00 0.00 N ATOM 0 H GLN A 45 -10.298 -29.417 -28.315 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.687 -29.461 -27.043 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.729 -28.217 -29.280 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.849 -26.927 -28.099 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.707 -26.456 -28.567 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.285 -27.900 -27.667 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.212 -29.989 -28.897 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.637 -29.932 -30.566 1.00 0.00 H new ATOM 760 N GLY A 46 -10.186 -28.350 -25.461 1.00 0.00 N ATOM 761 CA GLY A 46 -10.598 -27.702 -24.227 1.00 0.00 C ATOM 762 C GLY A 46 -12.083 -27.415 -24.199 1.00 0.00 C ATOM 763 O GLY A 46 -12.833 -27.971 -24.990 1.00 0.00 O ATOM 0 H GLY A 46 -10.898 -28.931 -25.903 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.337 -28.337 -23.381 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.047 -26.769 -24.107 1.00 0.00 H new ATOM 767 N PHE A 47 -12.513 -26.546 -23.291 1.00 0.00 N ATOM 768 CA PHE A 47 -13.928 -26.201 -23.184 1.00 0.00 C ATOM 769 C PHE A 47 -14.202 -24.788 -23.668 1.00 0.00 C ATOM 770 O PHE A 47 -13.323 -23.927 -23.669 1.00 0.00 O ATOM 771 CB PHE A 47 -14.405 -26.366 -21.750 1.00 0.00 C ATOM 772 CG PHE A 47 -14.011 -27.687 -21.182 1.00 0.00 C ATOM 773 CD1 PHE A 47 -12.721 -27.894 -20.741 1.00 0.00 C ATOM 774 CD2 PHE A 47 -14.919 -28.724 -21.116 1.00 0.00 C ATOM 775 CE1 PHE A 47 -12.336 -29.115 -20.238 1.00 0.00 C ATOM 776 CE2 PHE A 47 -14.546 -29.953 -20.612 1.00 0.00 C ATOM 777 CZ PHE A 47 -13.250 -30.151 -20.171 1.00 0.00 C ATOM 0 H PHE A 47 -11.908 -26.070 -22.622 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.482 -26.885 -23.827 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.989 -25.568 -21.135 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.490 -26.264 -21.714 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -12.004 -27.088 -20.791 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.931 -28.572 -21.462 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.322 -29.264 -19.896 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -15.264 -30.758 -20.562 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.953 -31.111 -19.776 1.00 0.00 H new ATOM 787 N VAL A 48 -15.441 -24.573 -24.095 1.00 0.00 N ATOM 788 CA VAL A 48 -15.867 -23.282 -24.606 1.00 0.00 C ATOM 789 C VAL A 48 -17.145 -22.811 -23.916 1.00 0.00 C ATOM 790 O VAL A 48 -18.059 -23.599 -23.678 1.00 0.00 O ATOM 791 CB VAL A 48 -16.097 -23.355 -26.131 1.00 0.00 C ATOM 792 CG1 VAL A 48 -16.765 -22.089 -26.650 1.00 0.00 C ATOM 793 CG2 VAL A 48 -14.781 -23.604 -26.852 1.00 0.00 C ATOM 0 H VAL A 48 -16.171 -25.285 -24.096 1.00 0.00 H new ATOM 0 HA VAL A 48 -15.075 -22.564 -24.396 1.00 0.00 H new ATOM 0 HB VAL A 48 -16.769 -24.190 -26.333 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.913 -22.171 -27.727 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.730 -21.959 -26.160 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -16.131 -21.229 -26.436 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.958 -23.653 -27.926 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -14.088 -22.791 -26.635 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.352 -24.547 -26.512 1.00 0.00 H new ATOM 803 N ALA A 49 -17.203 -21.521 -23.607 1.00 0.00 N ATOM 804 CA ALA A 49 -18.373 -20.944 -22.957 1.00 0.00 C ATOM 805 C ALA A 49 -18.828 -19.689 -23.692 1.00 0.00 C ATOM 806 O ALA A 49 -18.049 -18.755 -23.876 1.00 0.00 O ATOM 807 CB ALA A 49 -18.066 -20.627 -21.501 1.00 0.00 C ATOM 0 H ALA A 49 -16.454 -20.855 -23.796 1.00 0.00 H new ATOM 0 HA ALA A 49 -19.182 -21.673 -22.990 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.949 -20.197 -21.028 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -17.786 -21.543 -20.981 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.243 -19.914 -21.450 1.00 0.00 H new ATOM 813 N ASP A 50 -20.088 -19.670 -24.116 1.00 0.00 N ATOM 814 CA ASP A 50 -20.628 -18.522 -24.833 1.00 0.00 C ATOM 815 C ASP A 50 -21.787 -17.905 -24.066 1.00 0.00 C ATOM 816 O ASP A 50 -22.549 -18.612 -23.407 1.00 0.00 O ATOM 817 CB ASP A 50 -21.094 -18.939 -26.227 1.00 0.00 C ATOM 818 CG ASP A 50 -19.938 -19.201 -27.172 1.00 0.00 C ATOM 819 OD1 ASP A 50 -19.200 -18.244 -27.488 1.00 0.00 O ATOM 820 OD2 ASP A 50 -19.768 -20.364 -27.596 1.00 0.00 O ATOM 0 H ASP A 50 -20.751 -20.433 -23.976 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.837 -17.778 -24.928 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -21.705 -19.838 -26.148 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -21.729 -18.157 -26.643 1.00 0.00 H new ATOM 825 N ALA A 51 -21.923 -16.589 -24.158 1.00 0.00 N ATOM 826 CA ALA A 51 -23.003 -15.903 -23.465 1.00 0.00 C ATOM 827 C ALA A 51 -23.511 -14.709 -24.266 1.00 0.00 C ATOM 828 O ALA A 51 -22.728 -13.974 -24.867 1.00 0.00 O ATOM 829 CB ALA A 51 -22.542 -15.455 -22.087 1.00 0.00 C ATOM 0 H ALA A 51 -21.307 -15.982 -24.699 1.00 0.00 H new ATOM 0 HA ALA A 51 -23.829 -16.606 -23.355 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -23.359 -14.943 -21.579 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -22.240 -16.325 -21.504 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.696 -14.775 -22.189 1.00 0.00 H new ATOM 835 N THR A 52 -24.822 -14.512 -24.257 1.00 0.00 N ATOM 836 CA THR A 52 -25.430 -13.395 -24.967 1.00 0.00 C ATOM 837 C THR A 52 -26.459 -12.722 -24.073 1.00 0.00 C ATOM 838 O THR A 52 -27.322 -13.390 -23.504 1.00 0.00 O ATOM 839 CB THR A 52 -26.089 -13.871 -26.261 1.00 0.00 C ATOM 840 OG1 THR A 52 -25.291 -14.851 -26.900 1.00 0.00 O ATOM 841 CG2 THR A 52 -26.328 -12.756 -27.257 1.00 0.00 C ATOM 0 H THR A 52 -25.485 -15.111 -23.766 1.00 0.00 H new ATOM 0 HA THR A 52 -24.651 -12.678 -25.225 1.00 0.00 H new ATOM 0 HB THR A 52 -27.053 -14.281 -25.959 1.00 0.00 H new ATOM 0 HG1 THR A 52 -25.731 -15.144 -27.725 1.00 0.00 H new ATOM 0 HG21 THR A 52 -26.798 -13.163 -28.152 1.00 0.00 H new ATOM 0 HG22 THR A 52 -26.982 -12.005 -26.813 1.00 0.00 H new ATOM 0 HG23 THR A 52 -25.376 -12.296 -27.524 1.00 0.00 H new ATOM 849 N ILE A 53 -26.366 -11.405 -23.933 1.00 0.00 N ATOM 850 CA ILE A 53 -27.299 -10.680 -23.084 1.00 0.00 C ATOM 851 C ILE A 53 -27.836 -9.429 -23.770 1.00 0.00 C ATOM 852 O ILE A 53 -27.094 -8.702 -24.429 1.00 0.00 O ATOM 853 CB ILE A 53 -26.638 -10.279 -21.753 1.00 0.00 C ATOM 854 CG1 ILE A 53 -25.936 -11.486 -21.127 1.00 0.00 C ATOM 855 CG2 ILE A 53 -27.673 -9.701 -20.800 1.00 0.00 C ATOM 856 CD1 ILE A 53 -25.304 -11.193 -19.783 1.00 0.00 C ATOM 0 H ILE A 53 -25.663 -10.825 -24.391 1.00 0.00 H new ATOM 0 HA ILE A 53 -28.132 -11.356 -22.888 1.00 0.00 H new ATOM 0 HB ILE A 53 -25.890 -9.510 -21.949 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -26.658 -12.295 -21.011 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -25.166 -11.842 -21.811 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -27.190 -9.422 -19.864 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -28.129 -8.819 -21.250 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -28.443 -10.447 -20.603 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -24.826 -12.095 -19.401 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -24.558 -10.406 -19.896 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -26.073 -10.866 -19.083 1.00 0.00 H new ATOM 868 N ASN A 54 -29.125 -9.177 -23.594 1.00 0.00 N ATOM 869 CA ASN A 54 -29.768 -8.005 -24.176 1.00 0.00 C ATOM 870 C ASN A 54 -29.918 -6.896 -23.138 1.00 0.00 C ATOM 871 O ASN A 54 -30.149 -7.155 -21.957 1.00 0.00 O ATOM 872 CB ASN A 54 -31.140 -8.378 -24.745 1.00 0.00 C ATOM 873 CG ASN A 54 -31.211 -8.196 -26.249 1.00 0.00 C ATOM 874 OD1 ASN A 54 -31.148 -7.076 -26.755 1.00 0.00 O ATOM 875 ND2 ASN A 54 -31.343 -9.302 -26.973 1.00 0.00 N ATOM 0 H ASN A 54 -29.750 -9.771 -23.050 1.00 0.00 H new ATOM 0 HA ASN A 54 -29.136 -7.638 -24.985 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -31.364 -9.415 -24.496 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -31.906 -7.764 -24.271 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -31.396 -9.243 -27.990 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -31.391 -10.211 -26.512 1.00 0.00 H new ATOM 882 N THR A 55 -29.794 -5.658 -23.597 1.00 0.00 N ATOM 883 CA THR A 55 -29.928 -4.496 -22.728 1.00 0.00 C ATOM 884 C THR A 55 -30.723 -3.413 -23.446 1.00 0.00 C ATOM 885 O THR A 55 -30.818 -3.424 -24.675 1.00 0.00 O ATOM 886 CB THR A 55 -28.552 -3.969 -22.316 1.00 0.00 C ATOM 887 OG1 THR A 55 -27.924 -3.299 -23.394 1.00 0.00 O ATOM 888 CG2 THR A 55 -27.612 -5.058 -21.840 1.00 0.00 C ATOM 0 H THR A 55 -29.600 -5.432 -24.572 1.00 0.00 H new ATOM 0 HA THR A 55 -30.460 -4.788 -21.823 1.00 0.00 H new ATOM 0 HB THR A 55 -28.742 -3.287 -21.488 1.00 0.00 H new ATOM 0 HG1 THR A 55 -28.270 -3.648 -24.242 1.00 0.00 H new ATOM 0 HG21 THR A 55 -26.654 -4.617 -21.563 1.00 0.00 H new ATOM 0 HG22 THR A 55 -28.044 -5.559 -20.974 1.00 0.00 H new ATOM 0 HG23 THR A 55 -27.460 -5.783 -22.640 1.00 0.00 H new ATOM 896 N PRO A 56 -31.321 -2.466 -22.708 1.00 0.00 N ATOM 897 CA PRO A 56 -32.116 -1.401 -23.319 1.00 0.00 C ATOM 898 C PRO A 56 -31.255 -0.345 -24.013 1.00 0.00 C ATOM 899 O PRO A 56 -31.777 0.605 -24.597 1.00 0.00 O ATOM 900 CB PRO A 56 -32.871 -0.799 -22.135 1.00 0.00 C ATOM 901 CG PRO A 56 -31.998 -1.064 -20.956 1.00 0.00 C ATOM 902 CD PRO A 56 -31.290 -2.365 -21.236 1.00 0.00 C ATOM 0 HA PRO A 56 -32.768 -1.781 -24.106 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -33.037 0.269 -22.273 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -33.851 -1.261 -22.014 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -31.282 -0.255 -20.813 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -32.589 -1.132 -20.042 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -30.268 -2.356 -20.856 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -31.797 -3.207 -20.765 1.00 0.00 H new ATOM 910 N ASN A 57 -29.934 -0.513 -23.946 1.00 0.00 N ATOM 911 CA ASN A 57 -29.013 0.431 -24.570 1.00 0.00 C ATOM 912 C ASN A 57 -28.030 -0.277 -25.506 1.00 0.00 C ATOM 913 O ASN A 57 -27.152 0.363 -26.085 1.00 0.00 O ATOM 914 CB ASN A 57 -28.242 1.203 -23.498 1.00 0.00 C ATOM 915 CG ASN A 57 -29.150 2.048 -22.627 1.00 0.00 C ATOM 916 OD1 ASN A 57 -29.932 1.524 -21.832 1.00 0.00 O ATOM 917 ND2 ASN A 57 -29.054 3.364 -22.775 1.00 0.00 N ATOM 0 H ASN A 57 -29.481 -1.292 -23.467 1.00 0.00 H new ATOM 0 HA ASN A 57 -29.605 1.127 -25.165 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -27.694 0.499 -22.871 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -27.503 1.845 -23.978 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -29.642 3.984 -22.218 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -28.392 3.755 -23.446 1.00 0.00 H new ATOM 924 N GLY A 58 -28.177 -1.593 -25.655 1.00 0.00 N ATOM 925 CA GLY A 58 -27.284 -2.339 -26.526 1.00 0.00 C ATOM 926 C GLY A 58 -27.308 -3.832 -26.258 1.00 0.00 C ATOM 927 O GLY A 58 -28.211 -4.338 -25.592 1.00 0.00 O ATOM 0 H GLY A 58 -28.893 -2.152 -25.191 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -27.562 -2.157 -27.564 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -26.267 -1.968 -26.398 1.00 0.00 H new ATOM 931 N VAL A 59 -26.310 -4.536 -26.782 1.00 0.00 N ATOM 932 CA VAL A 59 -26.210 -5.981 -26.601 1.00 0.00 C ATOM 933 C VAL A 59 -24.798 -6.386 -26.187 1.00 0.00 C ATOM 934 O VAL A 59 -23.820 -5.746 -26.573 1.00 0.00 O ATOM 935 CB VAL A 59 -26.591 -6.738 -27.887 1.00 0.00 C ATOM 936 CG1 VAL A 59 -26.681 -8.233 -27.623 1.00 0.00 C ATOM 937 CG2 VAL A 59 -27.902 -6.208 -28.448 1.00 0.00 C ATOM 0 H VAL A 59 -25.557 -4.129 -27.337 1.00 0.00 H new ATOM 0 HA VAL A 59 -26.911 -6.249 -25.810 1.00 0.00 H new ATOM 0 HB VAL A 59 -25.810 -6.572 -28.629 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -26.951 -8.749 -28.544 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -25.716 -8.599 -27.271 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -27.440 -8.423 -26.864 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -28.156 -6.754 -29.357 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -28.694 -6.342 -27.711 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -27.797 -5.148 -28.679 1.00 0.00 H new ATOM 947 N LEU A 60 -24.701 -7.448 -25.394 1.00 0.00 N ATOM 948 CA LEU A 60 -23.409 -7.934 -24.921 1.00 0.00 C ATOM 949 C LEU A 60 -23.166 -9.380 -25.349 1.00 0.00 C ATOM 950 O LEU A 60 -24.053 -10.228 -25.250 1.00 0.00 O ATOM 951 CB LEU A 60 -23.327 -7.825 -23.398 1.00 0.00 C ATOM 952 CG LEU A 60 -23.401 -6.401 -22.844 1.00 0.00 C ATOM 953 CD1 LEU A 60 -23.939 -6.409 -21.422 1.00 0.00 C ATOM 954 CD2 LEU A 60 -22.033 -5.738 -22.896 1.00 0.00 C ATOM 0 H LEU A 60 -25.501 -7.989 -25.065 1.00 0.00 H new ATOM 0 HA LEU A 60 -22.636 -7.311 -25.371 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -24.138 -8.410 -22.963 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -22.393 -8.279 -23.067 1.00 0.00 H new ATOM 0 HG LEU A 60 -24.086 -5.824 -23.466 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -23.985 -5.387 -21.044 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -24.938 -6.844 -21.414 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -23.280 -7.001 -20.787 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -22.104 -4.726 -22.498 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -21.327 -6.314 -22.298 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -21.687 -5.698 -23.929 1.00 0.00 H new ATOM 966 N VAL A 61 -21.951 -9.649 -25.818 1.00 0.00 N ATOM 967 CA VAL A 61 -21.570 -10.987 -26.258 1.00 0.00 C ATOM 968 C VAL A 61 -20.140 -11.306 -25.834 1.00 0.00 C ATOM 969 O VAL A 61 -19.253 -10.460 -25.939 1.00 0.00 O ATOM 970 CB VAL A 61 -21.686 -11.133 -27.787 1.00 0.00 C ATOM 971 CG1 VAL A 61 -21.485 -12.582 -28.202 1.00 0.00 C ATOM 972 CG2 VAL A 61 -23.032 -10.612 -28.271 1.00 0.00 C ATOM 0 H VAL A 61 -21.210 -8.954 -25.903 1.00 0.00 H new ATOM 0 HA VAL A 61 -22.258 -11.688 -25.785 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.902 -10.535 -28.252 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.571 -12.665 -29.285 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.496 -12.916 -27.889 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -22.245 -13.205 -27.729 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -23.097 -10.723 -29.353 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -23.833 -11.181 -27.799 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -23.131 -9.559 -28.007 1.00 0.00 H new ATOM 982 N ALA A 62 -19.922 -12.524 -25.348 1.00 0.00 N ATOM 983 CA ALA A 62 -18.595 -12.936 -24.899 1.00 0.00 C ATOM 984 C ALA A 62 -18.400 -14.445 -25.010 1.00 0.00 C ATOM 985 O ALA A 62 -19.361 -15.215 -25.018 1.00 0.00 O ATOM 986 CB ALA A 62 -18.354 -12.475 -23.470 1.00 0.00 C ATOM 0 H ALA A 62 -20.642 -13.240 -25.255 1.00 0.00 H new ATOM 0 HA ALA A 62 -17.865 -12.462 -25.555 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.361 -12.789 -23.149 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -18.424 -11.388 -23.422 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.104 -12.917 -22.814 1.00 0.00 H new ATOM 992 N SER A 63 -17.136 -14.848 -25.113 1.00 0.00 N ATOM 993 CA SER A 63 -16.782 -16.257 -25.242 1.00 0.00 C ATOM 994 C SER A 63 -15.487 -16.583 -24.503 1.00 0.00 C ATOM 995 O SER A 63 -14.659 -15.705 -24.257 1.00 0.00 O ATOM 996 CB SER A 63 -16.638 -16.628 -26.719 1.00 0.00 C ATOM 997 OG SER A 63 -15.597 -15.888 -27.333 1.00 0.00 O ATOM 0 H SER A 63 -16.337 -14.214 -25.109 1.00 0.00 H new ATOM 0 HA SER A 63 -17.584 -16.841 -24.792 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.433 -17.695 -26.811 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.578 -16.438 -27.238 1.00 0.00 H new ATOM 0 HG SER A 63 -15.525 -16.145 -28.276 1.00 0.00 H new ATOM 1003 N GLY A 64 -15.320 -17.859 -24.160 1.00 0.00 N ATOM 1004 CA GLY A 64 -14.126 -18.304 -23.463 1.00 0.00 C ATOM 1005 C GLY A 64 -13.798 -19.751 -23.786 1.00 0.00 C ATOM 1006 O GLY A 64 -14.403 -20.671 -23.235 1.00 0.00 O ATOM 0 H GLY A 64 -15.997 -18.597 -24.355 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.284 -17.669 -23.740 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.269 -18.194 -22.388 1.00 0.00 H new ATOM 1010 N LYS A 65 -12.852 -19.952 -24.697 1.00 0.00 N ATOM 1011 CA LYS A 65 -12.457 -21.296 -25.115 1.00 0.00 C ATOM 1012 C LYS A 65 -11.164 -21.749 -24.443 1.00 0.00 C ATOM 1013 O LYS A 65 -10.288 -22.324 -25.089 1.00 0.00 O ATOM 1014 CB LYS A 65 -12.296 -21.348 -26.637 1.00 0.00 C ATOM 1015 CG LYS A 65 -13.395 -20.618 -27.392 1.00 0.00 C ATOM 1016 CD LYS A 65 -13.011 -20.381 -28.844 1.00 0.00 C ATOM 1017 CE LYS A 65 -14.180 -19.837 -29.648 1.00 0.00 C ATOM 1018 NZ LYS A 65 -13.830 -19.657 -31.084 1.00 0.00 N ATOM 0 H LYS A 65 -12.342 -19.201 -25.162 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.248 -21.979 -24.805 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.333 -20.915 -26.907 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.278 -22.390 -26.956 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.316 -21.200 -27.348 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.598 -19.663 -26.908 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.178 -19.680 -28.891 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.667 -21.315 -29.287 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.027 -20.518 -29.563 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.496 -18.882 -29.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.654 -19.284 -31.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.038 -18.988 -31.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.553 -20.573 -31.491 1.00 0.00 H new ATOM 1032 N HIS A 66 -11.059 -21.512 -23.141 1.00 0.00 N ATOM 1033 CA HIS A 66 -9.879 -21.927 -22.391 1.00 0.00 C ATOM 1034 C HIS A 66 -9.912 -23.431 -22.145 1.00 0.00 C ATOM 1035 O HIS A 66 -10.982 -24.042 -22.134 1.00 0.00 O ATOM 1036 CB HIS A 66 -9.788 -21.180 -21.061 1.00 0.00 C ATOM 1037 CG HIS A 66 -8.411 -21.179 -20.470 1.00 0.00 C ATOM 1038 ND1 HIS A 66 -8.085 -21.854 -19.312 1.00 0.00 N ATOM 1039 CD2 HIS A 66 -7.271 -20.578 -20.885 1.00 0.00 C ATOM 1040 CE1 HIS A 66 -6.806 -21.667 -19.041 1.00 0.00 C ATOM 1041 NE2 HIS A 66 -6.289 -20.898 -19.980 1.00 0.00 N ATOM 0 H HIS A 66 -11.771 -21.038 -22.585 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.997 -21.683 -22.983 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.112 -20.150 -21.209 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.480 -21.633 -20.351 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.155 -19.962 -21.764 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.274 -22.075 -18.194 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.317 -20.591 -20.026 1.00 0.00 H new ATOM 1050 N GLU A 67 -8.744 -24.029 -21.947 1.00 0.00 N ATOM 1051 CA GLU A 67 -8.653 -25.465 -21.702 1.00 0.00 C ATOM 1052 C GLU A 67 -9.419 -25.862 -20.443 1.00 0.00 C ATOM 1053 O GLU A 67 -9.868 -27.000 -20.314 1.00 0.00 O ATOM 1054 CB GLU A 67 -7.188 -25.884 -21.571 1.00 0.00 C ATOM 1055 CG GLU A 67 -6.317 -25.424 -22.728 1.00 0.00 C ATOM 1056 CD GLU A 67 -4.973 -26.125 -22.761 1.00 0.00 C ATOM 1057 OE1 GLU A 67 -4.926 -27.300 -23.183 1.00 0.00 O ATOM 1058 OE2 GLU A 67 -3.967 -25.500 -22.363 1.00 0.00 O ATOM 0 H GLU A 67 -7.847 -23.544 -21.951 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.103 -25.979 -22.551 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.785 -25.481 -20.642 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.135 -26.970 -21.497 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.841 -25.606 -23.667 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.160 -24.348 -22.654 1.00 0.00 H new ATOM 1065 N ASP A 68 -9.552 -24.923 -19.511 1.00 0.00 N ATOM 1066 CA ASP A 68 -10.253 -25.185 -18.259 1.00 0.00 C ATOM 1067 C ASP A 68 -11.699 -24.705 -18.322 1.00 0.00 C ATOM 1068 O ASP A 68 -11.965 -23.512 -18.467 1.00 0.00 O ATOM 1069 CB ASP A 68 -9.528 -24.509 -17.094 1.00 0.00 C ATOM 1070 CG ASP A 68 -10.161 -24.832 -15.754 1.00 0.00 C ATOM 1071 OD1 ASP A 68 -11.379 -24.607 -15.603 1.00 0.00 O ATOM 1072 OD2 ASP A 68 -9.436 -25.310 -14.856 1.00 0.00 O ATOM 0 H ASP A 68 -9.184 -23.976 -19.599 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.260 -26.263 -18.100 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.485 -24.825 -17.086 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.532 -23.429 -17.244 1.00 0.00 H new ATOM 1077 N MET A 69 -12.631 -25.649 -18.211 1.00 0.00 N ATOM 1078 CA MET A 69 -14.059 -25.342 -18.252 1.00 0.00 C ATOM 1079 C MET A 69 -14.410 -24.169 -17.339 1.00 0.00 C ATOM 1080 O MET A 69 -15.141 -23.261 -17.734 1.00 0.00 O ATOM 1081 CB MET A 69 -14.870 -26.573 -17.843 1.00 0.00 C ATOM 1082 CG MET A 69 -16.370 -26.396 -18.016 1.00 0.00 C ATOM 1083 SD MET A 69 -17.208 -26.011 -16.466 1.00 0.00 S ATOM 1084 CE MET A 69 -18.916 -26.294 -16.926 1.00 0.00 C ATOM 0 H MET A 69 -12.421 -26.640 -18.091 1.00 0.00 H new ATOM 0 HA MET A 69 -14.308 -25.059 -19.275 1.00 0.00 H new ATOM 0 HB2 MET A 69 -14.542 -27.427 -18.435 1.00 0.00 H new ATOM 0 HB3 MET A 69 -14.658 -26.808 -16.800 1.00 0.00 H new ATOM 0 HG2 MET A 69 -16.557 -25.597 -18.734 1.00 0.00 H new ATOM 0 HG3 MET A 69 -16.793 -27.308 -18.437 1.00 0.00 H new ATOM 0 HE1 MET A 69 -19.531 -25.468 -16.568 1.00 0.00 H new ATOM 0 HE2 MET A 69 -18.994 -26.361 -18.011 1.00 0.00 H new ATOM 0 HE3 MET A 69 -19.264 -27.225 -16.479 1.00 0.00 H new ATOM 1094 N TYR A 70 -13.893 -24.201 -16.115 1.00 0.00 N ATOM 1095 CA TYR A 70 -14.161 -23.145 -15.144 1.00 0.00 C ATOM 1096 C TYR A 70 -13.542 -21.821 -15.580 1.00 0.00 C ATOM 1097 O TYR A 70 -14.159 -20.765 -15.447 1.00 0.00 O ATOM 1098 CB TYR A 70 -13.624 -23.544 -13.767 1.00 0.00 C ATOM 1099 CG TYR A 70 -14.444 -24.616 -13.085 1.00 0.00 C ATOM 1100 CD1 TYR A 70 -15.752 -24.368 -12.687 1.00 0.00 C ATOM 1101 CD2 TYR A 70 -13.910 -25.874 -12.838 1.00 0.00 C ATOM 1102 CE1 TYR A 70 -16.505 -25.345 -12.063 1.00 0.00 C ATOM 1103 CE2 TYR A 70 -14.656 -26.856 -12.214 1.00 0.00 C ATOM 1104 CZ TYR A 70 -15.953 -26.587 -11.830 1.00 0.00 C ATOM 1105 OH TYR A 70 -16.699 -27.561 -11.208 1.00 0.00 O ATOM 0 H TYR A 70 -13.287 -24.946 -15.772 1.00 0.00 H new ATOM 0 HA TYR A 70 -15.241 -23.012 -15.085 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.598 -23.896 -13.874 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.593 -22.661 -13.129 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.187 -23.396 -12.868 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.895 -26.088 -13.138 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.520 -25.137 -11.760 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -14.226 -27.829 -12.028 1.00 0.00 H new ATOM 0 HH TYR A 70 -16.164 -28.377 -11.120 1.00 0.00 H new ATOM 1115 N THR A 71 -12.322 -21.884 -16.103 1.00 0.00 N ATOM 1116 CA THR A 71 -11.628 -20.685 -16.556 1.00 0.00 C ATOM 1117 C THR A 71 -12.350 -20.058 -17.744 1.00 0.00 C ATOM 1118 O THR A 71 -12.429 -18.836 -17.859 1.00 0.00 O ATOM 1119 CB THR A 71 -10.187 -21.016 -16.939 1.00 0.00 C ATOM 1120 OG1 THR A 71 -9.525 -21.678 -15.876 1.00 0.00 O ATOM 1121 CG2 THR A 71 -9.368 -19.795 -17.299 1.00 0.00 C ATOM 0 H THR A 71 -11.795 -22.749 -16.223 1.00 0.00 H new ATOM 0 HA THR A 71 -11.621 -19.968 -15.735 1.00 0.00 H new ATOM 0 HB THR A 71 -10.262 -21.656 -17.818 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.604 -21.883 -16.141 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.355 -20.101 -17.561 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.825 -19.288 -18.149 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.333 -19.116 -16.447 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.879 -20.903 -18.624 1.00 0.00 N ATOM 1130 CA ALA A 72 -13.598 -20.427 -19.799 1.00 0.00 C ATOM 1131 C ALA A 72 -14.828 -19.624 -19.393 1.00 0.00 C ATOM 1132 O ALA A 72 -15.023 -18.498 -19.851 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.988 -21.593 -20.695 1.00 0.00 C ATOM 0 H ALA A 72 -12.823 -21.918 -18.545 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.935 -19.769 -20.361 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.524 -21.218 -21.567 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.090 -22.119 -21.019 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.630 -22.278 -20.142 1.00 0.00 H new ATOM 1139 N ILE A 73 -15.655 -20.200 -18.525 1.00 0.00 N ATOM 1140 CA ILE A 73 -16.856 -19.519 -18.061 1.00 0.00 C ATOM 1141 C ILE A 73 -16.486 -18.234 -17.326 1.00 0.00 C ATOM 1142 O ILE A 73 -17.113 -17.191 -17.522 1.00 0.00 O ATOM 1143 CB ILE A 73 -17.703 -20.424 -17.141 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -18.217 -21.638 -17.916 1.00 0.00 C ATOM 1145 CG2 ILE A 73 -18.864 -19.646 -16.538 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -18.190 -22.921 -17.117 1.00 0.00 C ATOM 0 H ILE A 73 -15.516 -21.131 -18.132 1.00 0.00 H new ATOM 0 HA ILE A 73 -17.455 -19.274 -18.938 1.00 0.00 H new ATOM 0 HB ILE A 73 -17.069 -20.774 -16.326 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -19.239 -21.444 -18.242 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.614 -21.767 -18.815 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -19.447 -20.304 -15.893 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -18.478 -18.812 -15.952 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -19.500 -19.264 -17.337 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.568 -23.739 -17.730 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -17.166 -23.139 -16.813 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.816 -22.811 -16.231 1.00 0.00 H new ATOM 1158 N ASN A 74 -15.456 -18.311 -16.492 1.00 0.00 N ATOM 1159 CA ASN A 74 -14.997 -17.148 -15.745 1.00 0.00 C ATOM 1160 C ASN A 74 -14.488 -16.076 -16.704 1.00 0.00 C ATOM 1161 O ASN A 74 -14.739 -14.886 -16.513 1.00 0.00 O ATOM 1162 CB ASN A 74 -13.892 -17.545 -14.763 1.00 0.00 C ATOM 1163 CG ASN A 74 -14.393 -17.637 -13.335 1.00 0.00 C ATOM 1164 OD1 ASN A 74 -15.586 -17.485 -13.073 1.00 0.00 O ATOM 1165 ND2 ASN A 74 -13.481 -17.885 -12.403 1.00 0.00 N ATOM 0 H ASN A 74 -14.925 -19.164 -16.317 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.836 -16.745 -15.178 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.473 -18.506 -15.061 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.084 -16.815 -14.815 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.759 -17.957 -11.424 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.503 -18.004 -12.666 1.00 0.00 H new ATOM 1172 N GLU A 75 -13.780 -16.512 -17.742 1.00 0.00 N ATOM 1173 CA GLU A 75 -13.244 -15.595 -18.743 1.00 0.00 C ATOM 1174 C GLU A 75 -14.373 -14.938 -19.529 1.00 0.00 C ATOM 1175 O GLU A 75 -14.341 -13.733 -19.783 1.00 0.00 O ATOM 1176 CB GLU A 75 -12.298 -16.330 -19.693 1.00 0.00 C ATOM 1177 CG GLU A 75 -10.929 -16.611 -19.094 1.00 0.00 C ATOM 1178 CD GLU A 75 -10.081 -15.360 -18.968 1.00 0.00 C ATOM 1179 OE1 GLU A 75 -10.327 -14.567 -18.036 1.00 0.00 O ATOM 1180 OE2 GLU A 75 -9.170 -15.176 -19.803 1.00 0.00 O ATOM 0 H GLU A 75 -13.564 -17.494 -17.912 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.683 -14.817 -18.225 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.756 -17.274 -19.990 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.174 -15.737 -20.599 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.053 -17.063 -18.110 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.407 -17.339 -19.715 1.00 0.00 H new ATOM 1187 N LEU A 76 -15.381 -15.724 -19.903 1.00 0.00 N ATOM 1188 CA LEU A 76 -16.517 -15.193 -20.645 1.00 0.00 C ATOM 1189 C LEU A 76 -17.096 -13.988 -19.910 1.00 0.00 C ATOM 1190 O LEU A 76 -17.101 -12.875 -20.435 1.00 0.00 O ATOM 1191 CB LEU A 76 -17.586 -16.275 -20.846 1.00 0.00 C ATOM 1192 CG LEU A 76 -18.987 -15.760 -21.201 1.00 0.00 C ATOM 1193 CD1 LEU A 76 -19.456 -16.344 -22.524 1.00 0.00 C ATOM 1194 CD2 LEU A 76 -19.977 -16.087 -20.092 1.00 0.00 C ATOM 0 H LEU A 76 -15.432 -16.723 -19.705 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.177 -14.873 -21.630 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -17.254 -16.947 -21.637 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -17.656 -16.867 -19.933 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.934 -14.676 -21.305 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -20.451 -15.966 -22.756 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.764 -16.055 -23.315 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -19.489 -17.431 -22.451 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -20.964 -15.713 -20.364 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -20.024 -17.167 -19.953 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -19.653 -15.615 -19.164 1.00 0.00 H new ATOM 1206 N ILE A 77 -17.560 -14.208 -18.683 1.00 0.00 N ATOM 1207 CA ILE A 77 -18.109 -13.120 -17.882 1.00 0.00 C ATOM 1208 C ILE A 77 -17.074 -12.010 -17.734 1.00 0.00 C ATOM 1209 O ILE A 77 -17.425 -10.832 -17.648 1.00 0.00 O ATOM 1210 CB ILE A 77 -18.567 -13.598 -16.489 1.00 0.00 C ATOM 1211 CG1 ILE A 77 -19.551 -14.762 -16.621 1.00 0.00 C ATOM 1212 CG2 ILE A 77 -19.199 -12.451 -15.714 1.00 0.00 C ATOM 1213 CD1 ILE A 77 -19.593 -15.660 -15.404 1.00 0.00 C ATOM 0 H ILE A 77 -17.567 -15.120 -18.226 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.987 -12.740 -18.404 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.693 -13.946 -15.938 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -20.549 -14.364 -16.803 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.281 -15.358 -17.493 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.517 -12.806 -14.733 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.470 -11.650 -15.592 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -20.063 -12.075 -16.261 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -20.312 -16.463 -15.569 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -18.605 -16.087 -15.233 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -19.893 -15.078 -14.533 1.00 0.00 H new ATOM 1225 N ASN A 78 -15.797 -12.381 -17.742 1.00 0.00 N ATOM 1226 CA ASN A 78 -14.725 -11.421 -17.651 1.00 0.00 C ATOM 1227 C ASN A 78 -14.809 -10.432 -18.815 1.00 0.00 C ATOM 1228 O ASN A 78 -14.410 -9.273 -18.699 1.00 0.00 O ATOM 1229 CB ASN A 78 -13.402 -12.168 -17.678 1.00 0.00 C ATOM 1230 CG ASN A 78 -12.374 -11.560 -16.759 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -11.740 -10.556 -17.081 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -12.209 -12.178 -15.601 1.00 0.00 N ATOM 0 H ASN A 78 -15.488 -13.350 -17.812 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.805 -10.857 -16.722 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.570 -13.207 -17.393 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.014 -12.176 -18.697 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.530 -11.825 -14.927 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.761 -13.008 -15.383 1.00 0.00 H new ATOM 1239 N LYS A 79 -15.353 -10.912 -19.931 1.00 0.00 N ATOM 1240 CA LYS A 79 -15.527 -10.102 -21.131 1.00 0.00 C ATOM 1241 C LYS A 79 -16.843 -9.340 -21.070 1.00 0.00 C ATOM 1242 O LYS A 79 -16.945 -8.236 -21.606 1.00 0.00 O ATOM 1243 CB LYS A 79 -15.472 -10.972 -22.386 1.00 0.00 C ATOM 1244 CG LYS A 79 -14.061 -11.329 -22.815 1.00 0.00 C ATOM 1245 CD LYS A 79 -13.716 -12.769 -22.470 1.00 0.00 C ATOM 1246 CE LYS A 79 -12.766 -13.373 -23.491 1.00 0.00 C ATOM 1247 NZ LYS A 79 -11.823 -14.342 -22.868 1.00 0.00 N ATOM 0 H LYS A 79 -15.685 -11.872 -20.027 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.709 -9.383 -21.179 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -16.032 -11.890 -22.207 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.970 -10.449 -23.203 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.958 -11.177 -23.889 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.352 -10.658 -22.329 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.261 -12.808 -21.480 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.629 -13.362 -22.425 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.341 -13.875 -24.269 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.201 -12.577 -23.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.007 -14.486 -23.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.495 -13.969 -21.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.308 -15.250 -22.717 1.00 0.00 H new ATOM 1261 N LEU A 80 -17.836 -9.896 -20.386 1.00 0.00 N ATOM 1262 CA LEU A 80 -19.109 -9.202 -20.241 1.00 0.00 C ATOM 1263 C LEU A 80 -18.862 -7.915 -19.466 1.00 0.00 C ATOM 1264 O LEU A 80 -19.250 -6.825 -19.890 1.00 0.00 O ATOM 1265 CB LEU A 80 -20.130 -10.080 -19.513 1.00 0.00 C ATOM 1266 CG LEU A 80 -20.445 -11.412 -20.197 1.00 0.00 C ATOM 1267 CD1 LEU A 80 -21.363 -12.254 -19.326 1.00 0.00 C ATOM 1268 CD2 LEU A 80 -21.072 -11.174 -21.563 1.00 0.00 C ATOM 0 H LEU A 80 -17.787 -10.808 -19.931 1.00 0.00 H new ATOM 0 HA LEU A 80 -19.519 -8.975 -21.225 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.760 -10.284 -18.508 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -21.057 -9.517 -19.403 1.00 0.00 H new ATOM 0 HG LEU A 80 -19.512 -11.957 -20.338 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -21.576 -13.198 -19.828 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -20.877 -12.453 -18.371 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -22.295 -11.716 -19.153 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -21.290 -12.132 -22.035 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -21.997 -10.609 -21.445 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -20.379 -10.610 -22.188 1.00 0.00 H new ATOM 1280 N GLU A 81 -18.168 -8.062 -18.344 1.00 0.00 N ATOM 1281 CA GLU A 81 -17.795 -6.943 -17.499 1.00 0.00 C ATOM 1282 C GLU A 81 -16.930 -5.957 -18.274 1.00 0.00 C ATOM 1283 O GLU A 81 -17.146 -4.746 -18.220 1.00 0.00 O ATOM 1284 CB GLU A 81 -17.024 -7.465 -16.295 1.00 0.00 C ATOM 1285 CG GLU A 81 -17.244 -6.658 -15.030 1.00 0.00 C ATOM 1286 CD GLU A 81 -16.170 -6.901 -13.988 1.00 0.00 C ATOM 1287 OE1 GLU A 81 -15.149 -6.181 -14.009 1.00 0.00 O ATOM 1288 OE2 GLU A 81 -16.350 -7.810 -13.150 1.00 0.00 O ATOM 0 H GLU A 81 -17.849 -8.966 -17.996 1.00 0.00 H new ATOM 0 HA GLU A 81 -18.697 -6.428 -17.168 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.314 -8.499 -16.110 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.960 -7.470 -16.531 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -17.269 -5.597 -15.280 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -18.217 -6.909 -14.608 1.00 0.00 H new ATOM 1295 N ARG A 82 -15.944 -6.488 -18.984 1.00 0.00 N ATOM 1296 CA ARG A 82 -15.031 -5.661 -19.766 1.00 0.00 C ATOM 1297 C ARG A 82 -15.772 -4.902 -20.864 1.00 0.00 C ATOM 1298 O ARG A 82 -15.411 -3.774 -21.201 1.00 0.00 O ATOM 1299 CB ARG A 82 -13.925 -6.526 -20.378 1.00 0.00 C ATOM 1300 CG ARG A 82 -12.530 -6.160 -19.894 1.00 0.00 C ATOM 1301 CD ARG A 82 -11.637 -5.718 -21.043 1.00 0.00 C ATOM 1302 NE ARG A 82 -10.286 -5.389 -20.592 1.00 0.00 N ATOM 1303 CZ ARG A 82 -9.409 -4.700 -21.317 1.00 0.00 C ATOM 1304 NH1 ARG A 82 -9.737 -4.263 -22.527 1.00 0.00 N ATOM 1305 NH2 ARG A 82 -8.201 -4.446 -20.833 1.00 0.00 N ATOM 0 H ARG A 82 -15.755 -7.489 -19.035 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.582 -4.929 -19.094 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.120 -7.572 -20.142 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.960 -6.433 -21.463 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.598 -5.360 -19.157 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -12.081 -7.018 -19.393 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.587 -6.511 -21.789 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.078 -4.849 -21.531 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.999 -5.707 -19.666 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.665 -4.455 -22.904 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.061 -3.735 -23.079 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.943 -4.779 -19.904 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.529 -3.918 -21.390 1.00 0.00 H new ATOM 1319 N GLN A 83 -16.810 -5.521 -21.417 1.00 0.00 N ATOM 1320 CA GLN A 83 -17.595 -4.889 -22.472 1.00 0.00 C ATOM 1321 C GLN A 83 -18.494 -3.805 -21.890 1.00 0.00 C ATOM 1322 O GLN A 83 -18.619 -2.718 -22.455 1.00 0.00 O ATOM 1323 CB GLN A 83 -18.441 -5.932 -23.203 1.00 0.00 C ATOM 1324 CG GLN A 83 -17.663 -6.720 -24.243 1.00 0.00 C ATOM 1325 CD GLN A 83 -18.406 -7.957 -24.709 1.00 0.00 C ATOM 1326 OE1 GLN A 83 -19.290 -7.881 -25.563 1.00 0.00 O ATOM 1327 NE2 GLN A 83 -18.049 -9.105 -24.147 1.00 0.00 N ATOM 0 H GLN A 83 -17.126 -6.454 -21.154 1.00 0.00 H new ATOM 0 HA GLN A 83 -16.908 -4.431 -23.183 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.861 -6.624 -22.473 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.280 -5.433 -23.689 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.457 -6.079 -25.100 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -16.700 -7.014 -23.826 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -17.311 -9.120 -23.443 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -18.513 -9.972 -24.419 1.00 0.00 H new ATOM 1336 N LEU A 84 -19.109 -4.105 -20.753 1.00 0.00 N ATOM 1337 CA LEU A 84 -19.988 -3.155 -20.086 1.00 0.00 C ATOM 1338 C LEU A 84 -19.201 -1.939 -19.609 1.00 0.00 C ATOM 1339 O LEU A 84 -19.738 -0.835 -19.522 1.00 0.00 O ATOM 1340 CB LEU A 84 -20.670 -3.813 -18.889 1.00 0.00 C ATOM 1341 CG LEU A 84 -21.771 -4.825 -19.216 1.00 0.00 C ATOM 1342 CD1 LEU A 84 -21.579 -6.099 -18.402 1.00 0.00 C ATOM 1343 CD2 LEU A 84 -23.145 -4.222 -18.951 1.00 0.00 C ATOM 0 H LEU A 84 -19.015 -5.000 -20.273 1.00 0.00 H new ATOM 0 HA LEU A 84 -20.744 -2.834 -20.803 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -19.908 -4.315 -18.293 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -21.098 -3.029 -18.264 1.00 0.00 H new ATOM 0 HG LEU A 84 -21.706 -5.079 -20.274 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -22.369 -6.809 -18.645 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.610 -6.539 -18.638 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -21.620 -5.861 -17.339 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -23.916 -4.955 -19.189 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -23.223 -3.941 -17.901 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -23.281 -3.338 -19.574 1.00 0.00 H new ATOM 1355 N ASN A 85 -17.922 -2.149 -19.302 1.00 0.00 N ATOM 1356 CA ASN A 85 -17.063 -1.070 -18.836 1.00 0.00 C ATOM 1357 C ASN A 85 -16.941 0.005 -19.905 1.00 0.00 C ATOM 1358 O ASN A 85 -17.122 1.192 -19.637 1.00 0.00 O ATOM 1359 CB ASN A 85 -15.677 -1.612 -18.478 1.00 0.00 C ATOM 1360 CG ASN A 85 -15.097 -0.949 -17.244 1.00 0.00 C ATOM 1361 OD1 ASN A 85 -15.165 0.270 -17.091 1.00 0.00 O ATOM 1362 ND2 ASN A 85 -14.521 -1.751 -16.357 1.00 0.00 N ATOM 0 H ASN A 85 -17.461 -3.057 -19.369 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.510 -0.631 -17.944 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -15.742 -2.687 -18.312 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -15.002 -1.460 -19.320 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.112 -1.362 -15.507 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -14.487 -2.757 -16.525 1.00 0.00 H new ATOM 1369 N LYS A 86 -16.641 -0.424 -21.125 1.00 0.00 N ATOM 1370 CA LYS A 86 -16.503 0.492 -22.247 1.00 0.00 C ATOM 1371 C LYS A 86 -17.871 0.947 -22.753 1.00 0.00 C ATOM 1372 O LYS A 86 -17.985 1.968 -23.433 1.00 0.00 O ATOM 1373 CB LYS A 86 -15.723 -0.175 -23.381 1.00 0.00 C ATOM 1374 CG LYS A 86 -14.218 -0.177 -23.165 1.00 0.00 C ATOM 1375 CD LYS A 86 -13.523 0.856 -24.041 1.00 0.00 C ATOM 1376 CE LYS A 86 -12.637 0.198 -25.086 1.00 0.00 C ATOM 1377 NZ LYS A 86 -11.562 -0.625 -24.467 1.00 0.00 N ATOM 0 H LYS A 86 -16.488 -1.404 -21.361 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.955 1.369 -21.903 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.067 -1.203 -23.492 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.947 0.339 -24.316 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.000 0.029 -22.117 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.820 -1.168 -23.385 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.270 1.477 -24.535 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.921 1.517 -23.417 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.247 -0.431 -25.735 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.188 0.966 -25.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.741 -0.661 -25.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.278 -0.200 -23.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.915 -1.589 -24.302 1.00 0.00 H new