USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 491 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 49 LYS NZ :NH3+ -142:sc= -0.0118 (180deg=-0.093) USER MOD Set 1.2: A 50 SER OG : rot -102:sc= 0.164 USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0217) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.0778 (180deg=-0.166) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0811 USER MOD Single : A 9 GLN : amide:sc= 1 K(o=1,f=-0.039) USER MOD Single : A 10 LYS NZ :NH3+ 152:sc= 0.419 (180deg=0.0441) USER MOD Single : A 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000405) USER MOD Single : A 21 LYS NZ :NH3+ -107:sc=-0.00315 (180deg=-0.532) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 77:sc= 1.77 USER MOD Single : A 32 THR OG1 : rot 83:sc= 1.16 USER MOD Single : A 33 SER OG : rot 80:sc= 1.15 USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0146) USER MOD Single : A 36 SER OG : rot 75:sc= 1.2 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 0.00742 (180deg=0.0047) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0542) USER MOD Single : A 46 MET CE :methyl 170:sc= -0.0388 (180deg=-0.416) USER MOD Single : A 47 GLN : amide:sc= 0.213 X(o=0.21,f=0) USER MOD Single : A 48 GLN : amide:sc= 1.13 K(o=1.1,f=-0.15) USER MOD Single : A 51 GLN : amide:sc= 1.07 K(o=1.1,f=-0.26) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0476) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.300 10.536 10.396 1.00 0.00 N ATOM 2 CA MET A 1 -17.933 10.460 8.989 1.00 0.00 C ATOM 3 C MET A 1 -16.895 9.355 8.748 1.00 0.00 C ATOM 4 O MET A 1 -16.735 8.897 7.617 1.00 0.00 O ATOM 5 CB MET A 1 -17.443 11.839 8.522 1.00 0.00 C ATOM 6 CG MET A 1 -17.262 11.913 6.998 1.00 0.00 C ATOM 7 SD MET A 1 -16.988 13.567 6.310 1.00 0.00 S ATOM 8 CE MET A 1 -15.469 14.049 7.162 1.00 0.00 C ATOM 0 H1 MET A 1 -19.086 11.207 10.514 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.594 9.596 10.729 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.482 10.860 10.951 1.00 0.00 H new ATOM 0 HA MET A 1 -18.806 10.190 8.395 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.156 12.601 8.838 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.495 12.069 9.009 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.418 11.282 6.721 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.147 11.487 6.526 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.135 15.017 6.790 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.659 14.118 8.233 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.696 13.303 6.978 1.00 0.00 H new ATOM 18 N ALA A 2 -16.213 8.908 9.808 1.00 0.00 N ATOM 19 CA ALA A 2 -15.192 7.865 9.761 1.00 0.00 C ATOM 20 C ALA A 2 -15.621 6.699 8.867 1.00 0.00 C ATOM 21 O ALA A 2 -14.919 6.347 7.925 1.00 0.00 O ATOM 22 CB ALA A 2 -14.878 7.384 11.181 1.00 0.00 C ATOM 0 H ALA A 2 -16.363 9.275 10.748 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.288 8.287 9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.116 6.606 11.141 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.512 8.221 11.776 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.783 6.983 11.638 1.00 0.00 H new ATOM 28 N SER A 3 -16.802 6.136 9.126 1.00 0.00 N ATOM 29 CA SER A 3 -17.373 5.054 8.342 1.00 0.00 C ATOM 30 C SER A 3 -17.414 5.388 6.846 1.00 0.00 C ATOM 31 O SER A 3 -17.099 4.544 6.011 1.00 0.00 O ATOM 32 CB SER A 3 -18.775 4.769 8.887 1.00 0.00 C ATOM 33 OG SER A 3 -18.739 4.828 10.303 1.00 0.00 O ATOM 0 H SER A 3 -17.395 6.429 9.902 1.00 0.00 H new ATOM 0 HA SER A 3 -16.745 4.167 8.433 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.486 5.498 8.498 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.114 3.786 8.559 1.00 0.00 H new ATOM 0 HG SER A 3 -19.634 4.648 10.661 1.00 0.00 H new ATOM 39 N VAL A 4 -17.794 6.620 6.499 1.00 0.00 N ATOM 40 CA VAL A 4 -17.845 7.052 5.112 1.00 0.00 C ATOM 41 C VAL A 4 -16.425 7.069 4.547 1.00 0.00 C ATOM 42 O VAL A 4 -16.188 6.526 3.472 1.00 0.00 O ATOM 43 CB VAL A 4 -18.537 8.421 4.980 1.00 0.00 C ATOM 44 CG1 VAL A 4 -18.682 8.803 3.502 1.00 0.00 C ATOM 45 CG2 VAL A 4 -19.927 8.406 5.629 1.00 0.00 C ATOM 0 H VAL A 4 -18.072 7.336 7.170 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.444 6.350 4.532 1.00 0.00 H new ATOM 0 HB VAL A 4 -17.915 9.154 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -19.173 9.773 3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -17.695 8.857 3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.281 8.051 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -20.390 9.387 5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -20.548 7.655 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -19.832 8.166 6.688 1.00 0.00 H new ATOM 55 N LEU A 5 -15.472 7.661 5.275 1.00 0.00 N ATOM 56 CA LEU A 5 -14.076 7.665 4.848 1.00 0.00 C ATOM 57 C LEU A 5 -13.587 6.234 4.599 1.00 0.00 C ATOM 58 O LEU A 5 -12.981 5.957 3.567 1.00 0.00 O ATOM 59 CB LEU A 5 -13.174 8.386 5.861 1.00 0.00 C ATOM 60 CG LEU A 5 -13.597 9.830 6.176 1.00 0.00 C ATOM 61 CD1 LEU A 5 -12.588 10.448 7.149 1.00 0.00 C ATOM 62 CD2 LEU A 5 -13.694 10.700 4.917 1.00 0.00 C ATOM 0 H LEU A 5 -15.645 8.141 6.158 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.017 8.219 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.161 7.814 6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -12.154 8.395 5.478 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.591 9.794 6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.882 11.473 7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.565 9.864 8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.597 10.448 6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.996 11.710 5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.723 10.735 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.432 10.275 4.237 1.00 0.00 H new ATOM 74 N GLU A 6 -13.876 5.318 5.528 1.00 0.00 N ATOM 75 CA GLU A 6 -13.550 3.906 5.387 1.00 0.00 C ATOM 76 C GLU A 6 -14.164 3.340 4.101 1.00 0.00 C ATOM 77 O GLU A 6 -13.455 2.733 3.300 1.00 0.00 O ATOM 78 CB GLU A 6 -14.004 3.132 6.632 1.00 0.00 C ATOM 79 CG GLU A 6 -13.179 3.514 7.870 1.00 0.00 C ATOM 80 CD GLU A 6 -13.800 2.961 9.149 1.00 0.00 C ATOM 81 OE1 GLU A 6 -13.738 1.725 9.320 1.00 0.00 O ATOM 82 OE2 GLU A 6 -14.338 3.781 9.926 1.00 0.00 O ATOM 0 H GLU A 6 -14.347 5.543 6.404 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.469 3.793 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.058 3.333 6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.911 2.061 6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.163 3.133 7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.107 4.599 7.939 1.00 0.00 H new ATOM 89 N GLU A 7 -15.466 3.543 3.879 1.00 0.00 N ATOM 90 CA GLU A 7 -16.113 3.090 2.650 1.00 0.00 C ATOM 91 C GLU A 7 -15.422 3.664 1.405 1.00 0.00 C ATOM 92 O GLU A 7 -15.158 2.928 0.457 1.00 0.00 O ATOM 93 CB GLU A 7 -17.612 3.422 2.663 1.00 0.00 C ATOM 94 CG GLU A 7 -18.399 2.551 3.656 1.00 0.00 C ATOM 95 CD GLU A 7 -18.403 1.070 3.279 1.00 0.00 C ATOM 96 OE1 GLU A 7 -18.632 0.783 2.083 1.00 0.00 O ATOM 97 OE2 GLU A 7 -18.172 0.246 4.189 1.00 0.00 O ATOM 0 H GLU A 7 -16.089 4.017 4.534 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.013 2.006 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.746 4.473 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.020 3.285 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.969 2.666 4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.427 2.909 3.710 1.00 0.00 H new ATOM 104 N LEU A 8 -15.112 4.962 1.388 1.00 0.00 N ATOM 105 CA LEU A 8 -14.402 5.564 0.265 1.00 0.00 C ATOM 106 C LEU A 8 -13.023 4.923 0.074 1.00 0.00 C ATOM 107 O LEU A 8 -12.640 4.615 -1.053 1.00 0.00 O ATOM 108 CB LEU A 8 -14.303 7.088 0.433 1.00 0.00 C ATOM 109 CG LEU A 8 -15.665 7.805 0.388 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.436 9.307 0.578 1.00 0.00 C ATOM 111 CD2 LEU A 8 -16.410 7.577 -0.933 1.00 0.00 C ATOM 0 H LEU A 8 -15.342 5.613 2.139 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.976 5.371 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.817 7.309 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.664 7.491 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.283 7.392 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.393 9.828 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.957 9.483 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.795 9.681 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -17.363 8.105 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.808 7.953 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.590 6.511 -1.070 1.00 0.00 H new ATOM 123 N GLN A 9 -12.278 4.694 1.160 1.00 0.00 N ATOM 124 CA GLN A 9 -10.991 4.010 1.101 1.00 0.00 C ATOM 125 C GLN A 9 -11.161 2.620 0.485 1.00 0.00 C ATOM 126 O GLN A 9 -10.382 2.227 -0.383 1.00 0.00 O ATOM 127 CB GLN A 9 -10.346 3.954 2.497 1.00 0.00 C ATOM 128 CG GLN A 9 -8.855 3.568 2.478 1.00 0.00 C ATOM 129 CD GLN A 9 -8.580 2.070 2.643 1.00 0.00 C ATOM 130 OE1 GLN A 9 -8.287 1.612 3.741 1.00 0.00 O ATOM 131 NE2 GLN A 9 -8.636 1.299 1.561 1.00 0.00 N ATOM 0 H GLN A 9 -12.553 4.978 2.100 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.313 4.572 0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.454 4.927 2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.890 3.235 3.110 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.419 3.902 1.537 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.344 4.108 3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.882 1.704 0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.433 0.302 1.634 1.00 0.00 H new ATOM 140 N LYS A 10 -12.163 1.867 0.937 1.00 0.00 N ATOM 141 CA LYS A 10 -12.460 0.553 0.390 1.00 0.00 C ATOM 142 C LYS A 10 -12.737 0.669 -1.112 1.00 0.00 C ATOM 143 O LYS A 10 -12.131 -0.042 -1.910 1.00 0.00 O ATOM 144 CB LYS A 10 -13.651 -0.056 1.138 1.00 0.00 C ATOM 145 CG LYS A 10 -13.886 -1.520 0.740 1.00 0.00 C ATOM 146 CD LYS A 10 -15.382 -1.846 0.773 1.00 0.00 C ATOM 147 CE LYS A 10 -15.963 -1.718 2.187 1.00 0.00 C ATOM 148 NZ LYS A 10 -17.409 -1.998 2.199 1.00 0.00 N ATOM 0 H LYS A 10 -12.788 2.154 1.691 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.604 -0.108 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.475 0.005 2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.548 0.526 0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.489 -1.701 -0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.348 -2.180 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.915 -1.175 0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.541 -2.860 0.405 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.451 -2.409 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.782 -0.713 2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.683 -2.368 3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.934 -1.121 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.632 -2.703 1.468 1.00 0.00 H new ATOM 162 N ASP A 11 -13.641 1.571 -1.502 1.00 0.00 N ATOM 163 CA ASP A 11 -13.992 1.792 -2.899 1.00 0.00 C ATOM 164 C ASP A 11 -12.736 2.070 -3.731 1.00 0.00 C ATOM 165 O ASP A 11 -12.509 1.428 -4.755 1.00 0.00 O ATOM 166 CB ASP A 11 -15.002 2.938 -3.006 1.00 0.00 C ATOM 167 CG ASP A 11 -15.460 3.116 -4.447 1.00 0.00 C ATOM 168 OD1 ASP A 11 -14.754 3.851 -5.169 1.00 0.00 O ATOM 169 OD2 ASP A 11 -16.490 2.507 -4.802 1.00 0.00 O ATOM 0 H ASP A 11 -14.150 2.169 -0.851 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.457 0.891 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.862 2.733 -2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.551 3.862 -2.645 1.00 0.00 H new ATOM 174 N LEU A 12 -11.905 3.006 -3.256 1.00 0.00 N ATOM 175 CA LEU A 12 -10.605 3.310 -3.836 1.00 0.00 C ATOM 176 C LEU A 12 -9.813 2.013 -4.010 1.00 0.00 C ATOM 177 O LEU A 12 -9.343 1.714 -5.105 1.00 0.00 O ATOM 178 CB LEU A 12 -9.880 4.355 -2.972 1.00 0.00 C ATOM 179 CG LEU A 12 -8.555 4.873 -3.561 1.00 0.00 C ATOM 180 CD1 LEU A 12 -8.280 6.275 -3.004 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.366 3.970 -3.194 1.00 0.00 C ATOM 0 H LEU A 12 -12.128 3.580 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.718 3.751 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.547 5.202 -2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.681 3.921 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.657 4.883 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.343 6.652 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.094 6.944 -3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.207 6.227 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.453 4.375 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.262 3.929 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.539 2.966 -3.581 1.00 0.00 H new ATOM 193 N GLU A 13 -9.685 1.227 -2.939 1.00 0.00 N ATOM 194 CA GLU A 13 -8.925 -0.014 -2.966 1.00 0.00 C ATOM 195 C GLU A 13 -9.443 -0.927 -4.081 1.00 0.00 C ATOM 196 O GLU A 13 -8.663 -1.419 -4.892 1.00 0.00 O ATOM 197 CB GLU A 13 -8.985 -0.671 -1.580 1.00 0.00 C ATOM 198 CG GLU A 13 -7.886 -1.714 -1.357 1.00 0.00 C ATOM 199 CD GLU A 13 -7.924 -2.246 0.075 1.00 0.00 C ATOM 200 OE1 GLU A 13 -7.888 -1.400 0.998 1.00 0.00 O ATOM 201 OE2 GLU A 13 -8.001 -3.485 0.221 1.00 0.00 O ATOM 0 H GLU A 13 -10.106 1.436 -2.034 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.877 0.186 -3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.904 0.102 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.958 -1.145 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.013 -2.538 -2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.911 -1.270 -1.559 1.00 0.00 H new ATOM 208 N GLU A 14 -10.763 -1.118 -4.144 1.00 0.00 N ATOM 209 CA GLU A 14 -11.400 -1.918 -5.180 1.00 0.00 C ATOM 210 C GLU A 14 -11.030 -1.406 -6.577 1.00 0.00 C ATOM 211 O GLU A 14 -10.556 -2.184 -7.407 1.00 0.00 O ATOM 212 CB GLU A 14 -12.919 -1.956 -4.967 1.00 0.00 C ATOM 213 CG GLU A 14 -13.286 -2.716 -3.685 1.00 0.00 C ATOM 214 CD GLU A 14 -14.777 -2.608 -3.383 1.00 0.00 C ATOM 215 OE1 GLU A 14 -15.539 -3.372 -4.014 1.00 0.00 O ATOM 216 OE2 GLU A 14 -15.126 -1.764 -2.530 1.00 0.00 O ATOM 0 H GLU A 14 -11.418 -0.718 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.030 -2.941 -5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.306 -0.938 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.396 -2.432 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.009 -3.765 -3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.714 -2.318 -2.847 1.00 0.00 H new ATOM 223 N VAL A 15 -11.234 -0.114 -6.862 1.00 0.00 N ATOM 224 CA VAL A 15 -10.919 0.387 -8.198 1.00 0.00 C ATOM 225 C VAL A 15 -9.428 0.244 -8.516 1.00 0.00 C ATOM 226 O VAL A 15 -9.093 -0.124 -9.637 1.00 0.00 O ATOM 227 CB VAL A 15 -11.487 1.789 -8.487 1.00 0.00 C ATOM 228 CG1 VAL A 15 -10.971 2.878 -7.551 1.00 0.00 C ATOM 229 CG2 VAL A 15 -11.179 2.204 -9.932 1.00 0.00 C ATOM 0 H VAL A 15 -11.602 0.579 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.447 -0.256 -8.902 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.561 1.702 -8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.420 3.834 -7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.238 2.631 -6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.887 2.948 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.587 3.197 -10.120 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.100 2.221 -10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.631 1.490 -10.620 1.00 0.00 H new ATOM 239 N LYS A 16 -8.526 0.488 -7.559 1.00 0.00 N ATOM 240 CA LYS A 16 -7.099 0.244 -7.776 1.00 0.00 C ATOM 241 C LYS A 16 -6.847 -1.230 -8.108 1.00 0.00 C ATOM 242 O LYS A 16 -6.183 -1.539 -9.094 1.00 0.00 O ATOM 243 CB LYS A 16 -6.272 0.712 -6.570 1.00 0.00 C ATOM 244 CG LYS A 16 -5.790 2.162 -6.728 1.00 0.00 C ATOM 245 CD LYS A 16 -6.938 3.137 -7.018 1.00 0.00 C ATOM 246 CE LYS A 16 -6.516 4.591 -6.823 1.00 0.00 C ATOM 247 NZ LYS A 16 -5.479 4.999 -7.787 1.00 0.00 N ATOM 0 H LYS A 16 -8.758 0.851 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.774 0.832 -8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.872 0.627 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.411 0.056 -6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.277 2.472 -5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.062 2.213 -7.538 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.285 2.994 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.779 2.912 -6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.386 5.239 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.141 4.727 -5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.233 5.997 -7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.632 4.410 -7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.838 4.878 -8.755 1.00 0.00 H new ATOM 261 N VAL A 17 -7.399 -2.146 -7.315 1.00 0.00 N ATOM 262 CA VAL A 17 -7.314 -3.576 -7.599 1.00 0.00 C ATOM 263 C VAL A 17 -7.761 -3.865 -9.042 1.00 0.00 C ATOM 264 O VAL A 17 -7.045 -4.529 -9.793 1.00 0.00 O ATOM 265 CB VAL A 17 -8.092 -4.375 -6.535 1.00 0.00 C ATOM 266 CG1 VAL A 17 -8.345 -5.823 -6.967 1.00 0.00 C ATOM 267 CG2 VAL A 17 -7.298 -4.394 -5.221 1.00 0.00 C ATOM 0 H VAL A 17 -7.914 -1.920 -6.464 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.278 -3.907 -7.534 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.055 -3.881 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.896 -6.345 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.927 -5.831 -7.888 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.392 -6.324 -7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.850 -4.959 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.329 -4.863 -5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.151 -3.373 -4.870 1.00 0.00 H new ATOM 277 N LEU A 18 -8.920 -3.346 -9.457 1.00 0.00 N ATOM 278 CA LEU A 18 -9.374 -3.496 -10.837 1.00 0.00 C ATOM 279 C LEU A 18 -8.400 -2.849 -11.828 1.00 0.00 C ATOM 280 O LEU A 18 -8.165 -3.399 -12.902 1.00 0.00 O ATOM 281 CB LEU A 18 -10.785 -2.925 -11.020 1.00 0.00 C ATOM 282 CG LEU A 18 -11.873 -3.694 -10.251 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.203 -2.954 -10.422 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.037 -5.133 -10.759 1.00 0.00 C ATOM 0 H LEU A 18 -9.557 -2.821 -8.858 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.405 -4.565 -11.050 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.790 -1.885 -10.695 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.033 -2.928 -12.081 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.575 -3.745 -9.204 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.987 -3.486 -9.883 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.111 -1.943 -10.025 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.459 -2.906 -11.480 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.816 -5.635 -10.185 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.315 -5.117 -11.813 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.096 -5.670 -10.640 1.00 0.00 H new ATOM 296 N LEU A 19 -7.852 -1.675 -11.505 1.00 0.00 N ATOM 297 CA LEU A 19 -6.858 -0.977 -12.315 1.00 0.00 C ATOM 298 C LEU A 19 -5.692 -1.922 -12.610 1.00 0.00 C ATOM 299 O LEU A 19 -5.273 -2.064 -13.756 1.00 0.00 O ATOM 300 CB LEU A 19 -6.370 0.284 -11.574 1.00 0.00 C ATOM 301 CG LEU A 19 -5.789 1.363 -12.497 1.00 0.00 C ATOM 302 CD1 LEU A 19 -6.915 2.276 -13.000 1.00 0.00 C ATOM 303 CD2 LEU A 19 -4.770 2.218 -11.735 1.00 0.00 C ATOM 0 H LEU A 19 -8.095 -1.173 -10.651 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.304 -0.665 -13.259 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.203 0.709 -11.014 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.611 -0.005 -10.847 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.300 0.872 -13.339 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.498 3.041 -13.655 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.644 1.684 -13.552 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.404 2.753 -12.150 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.365 2.980 -12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.259 2.699 -10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.960 1.584 -11.374 1.00 0.00 H new ATOM 315 N GLU A 20 -5.187 -2.577 -11.563 1.00 0.00 N ATOM 316 CA GLU A 20 -4.098 -3.533 -11.667 1.00 0.00 C ATOM 317 C GLU A 20 -4.516 -4.750 -12.500 1.00 0.00 C ATOM 318 O GLU A 20 -3.779 -5.168 -13.388 1.00 0.00 O ATOM 319 CB GLU A 20 -3.645 -3.949 -10.262 1.00 0.00 C ATOM 320 CG GLU A 20 -3.035 -2.772 -9.487 1.00 0.00 C ATOM 321 CD GLU A 20 -2.795 -3.140 -8.028 1.00 0.00 C ATOM 322 OE1 GLU A 20 -1.706 -3.690 -7.753 1.00 0.00 O ATOM 323 OE2 GLU A 20 -3.709 -2.878 -7.216 1.00 0.00 O ATOM 0 H GLU A 20 -5.531 -2.453 -10.611 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.259 -3.063 -12.180 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.496 -4.346 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.912 -4.752 -10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.094 -2.477 -9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.702 -1.911 -9.543 1.00 0.00 H new ATOM 330 N LYS A 21 -5.664 -5.355 -12.180 1.00 0.00 N ATOM 331 CA LYS A 21 -6.064 -6.633 -12.759 1.00 0.00 C ATOM 332 C LYS A 21 -6.658 -6.501 -14.165 1.00 0.00 C ATOM 333 O LYS A 21 -6.172 -7.112 -15.116 1.00 0.00 O ATOM 334 CB LYS A 21 -7.060 -7.331 -11.823 1.00 0.00 C ATOM 335 CG LYS A 21 -6.373 -7.839 -10.549 1.00 0.00 C ATOM 336 CD LYS A 21 -7.404 -8.505 -9.629 1.00 0.00 C ATOM 337 CE LYS A 21 -6.734 -9.377 -8.559 1.00 0.00 C ATOM 338 NZ LYS A 21 -5.744 -8.630 -7.761 1.00 0.00 N ATOM 0 H LYS A 21 -6.336 -4.972 -11.515 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.161 -7.234 -12.864 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.857 -6.637 -11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.526 -8.167 -12.344 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.590 -8.551 -10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.892 -7.010 -10.030 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.009 -7.738 -9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.081 -9.117 -10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.498 -9.784 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.244 -10.224 -9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.785 -8.926 -8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.855 -7.611 -7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.894 -8.826 -6.751 1.00 0.00 H new ATOM 352 N SER A 22 -7.749 -5.752 -14.305 1.00 0.00 N ATOM 353 CA SER A 22 -8.533 -5.728 -15.529 1.00 0.00 C ATOM 354 C SER A 22 -7.932 -4.727 -16.514 1.00 0.00 C ATOM 355 O SER A 22 -8.538 -3.686 -16.776 1.00 0.00 O ATOM 356 CB SER A 22 -9.989 -5.409 -15.169 1.00 0.00 C ATOM 357 OG SER A 22 -10.467 -6.356 -14.232 1.00 0.00 O ATOM 0 H SER A 22 -8.112 -5.145 -13.570 1.00 0.00 H new ATOM 0 HA SER A 22 -8.514 -6.699 -16.024 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.059 -4.404 -14.753 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.608 -5.426 -16.066 1.00 0.00 H new ATOM 0 HG SER A 22 -11.397 -6.149 -14.003 1.00 0.00 H new ATOM 363 N THR A 23 -6.757 -5.046 -17.066 1.00 0.00 N ATOM 364 CA THR A 23 -5.923 -4.141 -17.855 1.00 0.00 C ATOM 365 C THR A 23 -6.441 -3.808 -19.259 1.00 0.00 C ATOM 366 O THR A 23 -5.677 -3.851 -20.222 1.00 0.00 O ATOM 367 CB THR A 23 -4.480 -4.670 -17.891 1.00 0.00 C ATOM 368 OG1 THR A 23 -4.464 -5.963 -18.459 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.862 -4.734 -16.493 1.00 0.00 C ATOM 0 H THR A 23 -6.348 -5.976 -16.971 1.00 0.00 H new ATOM 0 HA THR A 23 -5.962 -3.181 -17.341 1.00 0.00 H new ATOM 0 HB THR A 23 -3.890 -3.979 -18.494 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.543 -6.298 -18.483 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.842 -5.113 -16.563 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.849 -3.736 -16.055 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.454 -5.399 -15.864 1.00 0.00 H new ATOM 377 N ARG A 24 -7.731 -3.502 -19.394 1.00 0.00 N ATOM 378 CA ARG A 24 -8.302 -2.941 -20.606 1.00 0.00 C ATOM 379 C ARG A 24 -8.239 -1.414 -20.516 1.00 0.00 C ATOM 380 O ARG A 24 -8.012 -0.854 -19.443 1.00 0.00 O ATOM 381 CB ARG A 24 -9.739 -3.453 -20.792 1.00 0.00 C ATOM 382 CG ARG A 24 -9.775 -4.891 -21.331 1.00 0.00 C ATOM 383 CD ARG A 24 -9.852 -4.948 -22.864 1.00 0.00 C ATOM 384 NE ARG A 24 -8.722 -4.260 -23.509 1.00 0.00 N ATOM 385 CZ ARG A 24 -8.746 -3.073 -24.137 1.00 0.00 C ATOM 386 NH1 ARG A 24 -9.875 -2.364 -24.253 1.00 0.00 N ATOM 387 NH2 ARG A 24 -7.609 -2.587 -24.645 1.00 0.00 N ATOM 0 H ARG A 24 -8.415 -3.641 -18.650 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.734 -3.256 -21.481 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.265 -3.411 -19.838 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.272 -2.795 -21.479 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.884 -5.423 -20.996 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.634 -5.412 -20.909 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.871 -5.989 -23.186 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.786 -4.495 -23.195 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.821 -4.737 -23.475 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.745 -2.722 -23.859 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.865 -1.465 -24.735 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.742 -3.116 -24.552 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.609 -1.687 -25.125 1.00 0.00 H new ATOM 401 N LYS A 25 -8.552 -0.728 -21.618 1.00 0.00 N ATOM 402 CA LYS A 25 -8.720 0.725 -21.658 1.00 0.00 C ATOM 403 C LYS A 25 -9.593 1.239 -20.501 1.00 0.00 C ATOM 404 O LYS A 25 -9.433 2.381 -20.063 1.00 0.00 O ATOM 405 CB LYS A 25 -9.314 1.114 -23.020 1.00 0.00 C ATOM 406 CG LYS A 25 -9.406 2.635 -23.207 1.00 0.00 C ATOM 407 CD LYS A 25 -9.943 2.976 -24.601 1.00 0.00 C ATOM 408 CE LYS A 25 -10.067 4.495 -24.763 1.00 0.00 C ATOM 409 NZ LYS A 25 -10.598 4.851 -26.089 1.00 0.00 N ATOM 0 H LYS A 25 -8.698 -1.176 -22.523 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.745 1.196 -21.534 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.701 0.690 -23.815 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.308 0.678 -23.117 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.059 3.061 -22.446 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.422 3.084 -23.071 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.276 2.575 -25.364 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.915 2.506 -24.749 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.722 4.893 -23.988 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.090 4.958 -24.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.670 5.886 -26.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.959 4.491 -26.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.540 4.428 -26.211 1.00 0.00 H new ATOM 423 N ARG A 26 -10.498 0.385 -19.997 1.00 0.00 N ATOM 424 CA ARG A 26 -11.413 0.708 -18.916 1.00 0.00 C ATOM 425 C ARG A 26 -10.714 1.357 -17.727 1.00 0.00 C ATOM 426 O ARG A 26 -11.358 2.151 -17.047 1.00 0.00 O ATOM 427 CB ARG A 26 -12.241 -0.512 -18.489 1.00 0.00 C ATOM 428 CG ARG A 26 -11.442 -1.644 -17.817 1.00 0.00 C ATOM 429 CD ARG A 26 -11.856 -1.883 -16.359 1.00 0.00 C ATOM 430 NE ARG A 26 -11.366 -0.854 -15.428 1.00 0.00 N ATOM 431 CZ ARG A 26 -10.309 -1.021 -14.614 1.00 0.00 C ATOM 432 NH1 ARG A 26 -9.390 -1.954 -14.877 1.00 0.00 N ATOM 433 NH2 ARG A 26 -10.179 -0.268 -13.517 1.00 0.00 N ATOM 0 H ARG A 26 -10.608 -0.568 -20.345 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.104 1.452 -19.311 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.019 -0.180 -17.801 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.743 -0.916 -19.368 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.579 -2.565 -18.384 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.380 -1.403 -17.853 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.944 -1.924 -16.302 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.483 -2.856 -16.040 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.858 0.039 -15.398 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.487 -2.547 -15.701 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.591 -2.073 -14.254 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.883 0.436 -13.295 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.376 -0.398 -12.902 1.00 0.00 H new ATOM 447 N LEU A 27 -9.425 1.068 -17.497 1.00 0.00 N ATOM 448 CA LEU A 27 -8.613 1.771 -16.508 1.00 0.00 C ATOM 449 C LEU A 27 -8.953 3.261 -16.480 1.00 0.00 C ATOM 450 O LEU A 27 -9.293 3.797 -15.429 1.00 0.00 O ATOM 451 CB LEU A 27 -7.110 1.618 -16.804 1.00 0.00 C ATOM 452 CG LEU A 27 -6.459 0.430 -16.094 1.00 0.00 C ATOM 453 CD1 LEU A 27 -6.893 -0.910 -16.665 1.00 0.00 C ATOM 454 CD2 LEU A 27 -4.933 0.536 -16.188 1.00 0.00 C ATOM 0 H LEU A 27 -8.920 0.336 -17.997 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.838 1.323 -15.540 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.970 1.508 -17.879 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.596 2.532 -16.508 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.787 0.471 -15.055 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.398 -1.715 -16.121 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.973 -1.015 -16.565 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.619 -0.962 -17.719 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.477 -0.314 -15.680 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.632 0.536 -17.236 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.603 1.461 -15.715 1.00 0.00 H new ATOM 466 N ARG A 28 -8.864 3.920 -17.639 1.00 0.00 N ATOM 467 CA ARG A 28 -8.995 5.367 -17.726 1.00 0.00 C ATOM 468 C ARG A 28 -10.396 5.792 -17.287 1.00 0.00 C ATOM 469 O ARG A 28 -10.557 6.587 -16.358 1.00 0.00 O ATOM 470 CB ARG A 28 -8.681 5.837 -19.154 1.00 0.00 C ATOM 471 CG ARG A 28 -7.243 5.481 -19.555 1.00 0.00 C ATOM 472 CD ARG A 28 -6.896 6.007 -20.953 1.00 0.00 C ATOM 473 NE ARG A 28 -6.871 7.475 -20.989 1.00 0.00 N ATOM 474 CZ ARG A 28 -6.523 8.204 -22.060 1.00 0.00 C ATOM 475 NH1 ARG A 28 -6.186 7.601 -23.206 1.00 0.00 N ATOM 476 NH2 ARG A 28 -6.510 9.539 -21.976 1.00 0.00 N ATOM 0 H ARG A 28 -8.700 3.463 -18.536 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.278 5.839 -17.054 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.380 5.377 -19.852 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.824 6.915 -19.224 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.548 5.899 -18.826 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.116 4.399 -19.532 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.924 5.619 -21.257 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.626 5.637 -21.673 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.137 7.975 -20.141 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.193 6.583 -23.268 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.922 8.159 -24.018 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.764 9.997 -21.101 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.246 10.098 -22.787 1.00 0.00 H new ATOM 490 N ASP A 29 -11.409 5.248 -17.965 1.00 0.00 N ATOM 491 CA ASP A 29 -12.811 5.571 -17.743 1.00 0.00 C ATOM 492 C ASP A 29 -13.174 5.333 -16.278 1.00 0.00 C ATOM 493 O ASP A 29 -13.679 6.224 -15.592 1.00 0.00 O ATOM 494 CB ASP A 29 -13.696 4.707 -18.657 1.00 0.00 C ATOM 495 CG ASP A 29 -13.300 4.816 -20.126 1.00 0.00 C ATOM 496 OD1 ASP A 29 -12.272 4.195 -20.477 1.00 0.00 O ATOM 497 OD2 ASP A 29 -14.024 5.515 -20.866 1.00 0.00 O ATOM 0 H ASP A 29 -11.269 4.555 -18.700 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.979 6.622 -17.980 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.630 3.665 -18.342 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.737 5.009 -18.541 1.00 0.00 H new ATOM 502 N THR A 30 -12.899 4.111 -15.818 1.00 0.00 N ATOM 503 CA THR A 30 -13.208 3.648 -14.478 1.00 0.00 C ATOM 504 C THR A 30 -12.534 4.564 -13.461 1.00 0.00 C ATOM 505 O THR A 30 -13.208 5.089 -12.577 1.00 0.00 O ATOM 506 CB THR A 30 -12.763 2.185 -14.301 1.00 0.00 C ATOM 507 OG1 THR A 30 -13.265 1.366 -15.336 1.00 0.00 O ATOM 508 CG2 THR A 30 -13.288 1.601 -12.991 1.00 0.00 C ATOM 0 H THR A 30 -12.442 3.401 -16.390 1.00 0.00 H new ATOM 0 HA THR A 30 -14.285 3.683 -14.316 1.00 0.00 H new ATOM 0 HB THR A 30 -11.673 2.198 -14.312 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.739 1.509 -16.150 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.957 0.567 -12.895 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.905 2.184 -12.153 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.377 1.635 -12.988 1.00 0.00 H new ATOM 516 N LEU A 31 -11.216 4.762 -13.582 1.00 0.00 N ATOM 517 CA LEU A 31 -10.458 5.578 -12.646 1.00 0.00 C ATOM 518 C LEU A 31 -11.056 6.977 -12.593 1.00 0.00 C ATOM 519 O LEU A 31 -11.404 7.444 -11.514 1.00 0.00 O ATOM 520 CB LEU A 31 -8.972 5.588 -13.038 1.00 0.00 C ATOM 521 CG LEU A 31 -8.002 6.299 -12.076 1.00 0.00 C ATOM 522 CD1 LEU A 31 -8.026 7.828 -12.196 1.00 0.00 C ATOM 523 CD2 LEU A 31 -8.192 5.872 -10.616 1.00 0.00 C ATOM 0 H LEU A 31 -10.653 4.359 -14.331 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.520 5.155 -11.643 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.643 4.555 -13.148 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.883 6.057 -14.018 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.014 5.969 -12.397 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.318 8.260 -11.488 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.749 8.118 -13.209 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.029 8.195 -11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.481 6.406 -9.985 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.208 6.107 -10.297 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.022 4.799 -10.526 1.00 0.00 H new ATOM 535 N THR A 32 -11.196 7.637 -13.745 1.00 0.00 N ATOM 536 CA THR A 32 -11.707 9.002 -13.799 1.00 0.00 C ATOM 537 C THR A 32 -13.080 9.090 -13.124 1.00 0.00 C ATOM 538 O THR A 32 -13.300 9.927 -12.244 1.00 0.00 O ATOM 539 CB THR A 32 -11.752 9.485 -15.258 1.00 0.00 C ATOM 540 OG1 THR A 32 -10.486 9.298 -15.855 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.100 10.973 -15.341 1.00 0.00 C ATOM 0 H THR A 32 -10.960 7.243 -14.656 1.00 0.00 H new ATOM 0 HA THR A 32 -11.036 9.661 -13.248 1.00 0.00 H new ATOM 0 HB THR A 32 -12.518 8.908 -15.776 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.403 8.371 -16.162 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.124 11.283 -16.386 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.077 11.144 -14.889 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.347 11.553 -14.807 1.00 0.00 H new ATOM 549 N SER A 33 -14.006 8.217 -13.530 1.00 0.00 N ATOM 550 CA SER A 33 -15.362 8.219 -13.004 1.00 0.00 C ATOM 551 C SER A 33 -15.352 8.007 -11.490 1.00 0.00 C ATOM 552 O SER A 33 -15.930 8.797 -10.740 1.00 0.00 O ATOM 553 CB SER A 33 -16.195 7.145 -13.711 1.00 0.00 C ATOM 554 OG SER A 33 -16.152 7.348 -15.108 1.00 0.00 O ATOM 0 H SER A 33 -13.832 7.495 -14.229 1.00 0.00 H new ATOM 0 HA SER A 33 -15.818 9.190 -13.197 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.811 6.155 -13.466 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.226 7.183 -13.361 1.00 0.00 H new ATOM 0 HG SER A 33 -15.309 6.997 -15.464 1.00 0.00 H new ATOM 560 N GLU A 34 -14.692 6.938 -11.039 1.00 0.00 N ATOM 561 CA GLU A 34 -14.693 6.574 -9.636 1.00 0.00 C ATOM 562 C GLU A 34 -14.014 7.662 -8.804 1.00 0.00 C ATOM 563 O GLU A 34 -14.536 8.061 -7.771 1.00 0.00 O ATOM 564 CB GLU A 34 -14.041 5.197 -9.448 1.00 0.00 C ATOM 565 CG GLU A 34 -14.391 4.605 -8.076 1.00 0.00 C ATOM 566 CD GLU A 34 -15.859 4.193 -7.980 1.00 0.00 C ATOM 567 OE1 GLU A 34 -16.157 3.069 -8.440 1.00 0.00 O ATOM 568 OE2 GLU A 34 -16.655 5.012 -7.474 1.00 0.00 O ATOM 0 H GLU A 34 -14.150 6.312 -11.635 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.720 6.496 -9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.376 4.522 -10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.959 5.287 -9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.759 3.738 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.170 5.337 -7.300 1.00 0.00 H new ATOM 575 N LYS A 35 -12.870 8.173 -9.265 1.00 0.00 N ATOM 576 CA LYS A 35 -12.188 9.300 -8.644 1.00 0.00 C ATOM 577 C LYS A 35 -13.167 10.461 -8.479 1.00 0.00 C ATOM 578 O LYS A 35 -13.295 11.009 -7.383 1.00 0.00 O ATOM 579 CB LYS A 35 -10.952 9.668 -9.483 1.00 0.00 C ATOM 580 CG LYS A 35 -10.097 10.823 -8.934 1.00 0.00 C ATOM 581 CD LYS A 35 -10.608 12.247 -9.226 1.00 0.00 C ATOM 582 CE LYS A 35 -10.929 12.524 -10.702 1.00 0.00 C ATOM 583 NZ LYS A 35 -9.802 12.185 -11.590 1.00 0.00 N ATOM 0 H LYS A 35 -12.390 7.809 -10.088 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.835 9.040 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.321 8.784 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.282 9.930 -10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.014 10.704 -7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.091 10.729 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.506 12.425 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.858 12.963 -8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.807 11.948 -10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.183 13.577 -10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.031 12.467 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.948 12.689 -11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.630 11.160 -11.557 1.00 0.00 H new ATOM 597 N SER A 36 -13.871 10.831 -9.553 1.00 0.00 N ATOM 598 CA SER A 36 -14.843 11.913 -9.493 1.00 0.00 C ATOM 599 C SER A 36 -15.888 11.644 -8.404 1.00 0.00 C ATOM 600 O SER A 36 -16.115 12.501 -7.551 1.00 0.00 O ATOM 601 CB SER A 36 -15.487 12.143 -10.863 1.00 0.00 C ATOM 602 OG SER A 36 -14.484 12.394 -11.828 1.00 0.00 O ATOM 0 H SER A 36 -13.782 10.394 -10.471 1.00 0.00 H new ATOM 0 HA SER A 36 -14.323 12.832 -9.223 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.072 11.269 -11.151 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.176 12.986 -10.814 1.00 0.00 H new ATOM 0 HG SER A 36 -14.032 11.555 -12.056 1.00 0.00 H new ATOM 608 N LYS A 37 -16.506 10.458 -8.415 1.00 0.00 N ATOM 609 CA LYS A 37 -17.463 10.056 -7.389 1.00 0.00 C ATOM 610 C LYS A 37 -16.863 10.190 -5.984 1.00 0.00 C ATOM 611 O LYS A 37 -17.441 10.871 -5.140 1.00 0.00 O ATOM 612 CB LYS A 37 -17.964 8.627 -7.641 1.00 0.00 C ATOM 613 CG LYS A 37 -18.810 8.482 -8.916 1.00 0.00 C ATOM 614 CD LYS A 37 -20.198 9.123 -8.769 1.00 0.00 C ATOM 615 CE LYS A 37 -21.055 8.823 -10.003 1.00 0.00 C ATOM 616 NZ LYS A 37 -22.397 9.423 -9.884 1.00 0.00 N ATOM 0 H LYS A 37 -16.354 9.753 -9.137 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.318 10.730 -7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.106 7.958 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.556 8.303 -6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.285 8.944 -9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.924 7.425 -9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.690 8.741 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.097 10.201 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.560 9.209 -10.894 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -21.147 7.744 -10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.953 9.202 -10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.877 9.036 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.309 10.455 -9.787 1.00 0.00 H new ATOM 630 N ILE A 38 -15.708 9.568 -5.732 1.00 0.00 N ATOM 631 CA ILE A 38 -15.037 9.610 -4.437 1.00 0.00 C ATOM 632 C ILE A 38 -14.863 11.063 -3.988 1.00 0.00 C ATOM 633 O ILE A 38 -15.284 11.423 -2.890 1.00 0.00 O ATOM 634 CB ILE A 38 -13.691 8.854 -4.489 1.00 0.00 C ATOM 635 CG1 ILE A 38 -13.913 7.338 -4.657 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.881 9.102 -3.204 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.647 6.621 -5.146 1.00 0.00 C ATOM 0 H ILE A 38 -15.210 9.016 -6.431 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.656 9.102 -3.697 1.00 0.00 H new ATOM 0 HB ILE A 38 -13.137 9.231 -5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.227 6.910 -3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.723 7.167 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.936 8.561 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.683 10.169 -3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.449 8.752 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.850 5.555 -5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.347 7.029 -6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.844 6.769 -4.424 1.00 0.00 H new ATOM 649 N GLU A 39 -14.247 11.898 -4.832 1.00 0.00 N ATOM 650 CA GLU A 39 -14.016 13.297 -4.509 1.00 0.00 C ATOM 651 C GLU A 39 -15.336 14.011 -4.212 1.00 0.00 C ATOM 652 O GLU A 39 -15.446 14.706 -3.206 1.00 0.00 O ATOM 653 CB GLU A 39 -13.249 13.985 -5.647 1.00 0.00 C ATOM 654 CG GLU A 39 -11.799 13.487 -5.746 1.00 0.00 C ATOM 655 CD GLU A 39 -10.986 13.843 -4.506 1.00 0.00 C ATOM 656 OE1 GLU A 39 -10.658 15.041 -4.371 1.00 0.00 O ATOM 657 OE2 GLU A 39 -10.724 12.916 -3.709 1.00 0.00 O ATOM 0 H GLU A 39 -13.900 11.619 -5.750 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.405 13.352 -3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.761 13.802 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.252 15.063 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.796 12.406 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.326 13.922 -6.627 1.00 0.00 H new ATOM 664 N THR A 40 -16.338 13.831 -5.074 1.00 0.00 N ATOM 665 CA THR A 40 -17.659 14.416 -4.897 1.00 0.00 C ATOM 666 C THR A 40 -18.222 14.044 -3.523 1.00 0.00 C ATOM 667 O THR A 40 -18.591 14.924 -2.748 1.00 0.00 O ATOM 668 CB THR A 40 -18.570 13.976 -6.053 1.00 0.00 C ATOM 669 OG1 THR A 40 -18.019 14.424 -7.272 1.00 0.00 O ATOM 670 CG2 THR A 40 -19.983 14.547 -5.951 1.00 0.00 C ATOM 0 H THR A 40 -16.250 13.269 -5.921 1.00 0.00 H new ATOM 0 HA THR A 40 -17.597 15.504 -4.924 1.00 0.00 H new ATOM 0 HB THR A 40 -18.635 12.889 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.298 13.820 -7.547 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.578 14.200 -6.796 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.444 14.213 -5.021 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.937 15.636 -5.963 1.00 0.00 H new ATOM 678 N GLU A 41 -18.269 12.746 -3.212 1.00 0.00 N ATOM 679 CA GLU A 41 -18.759 12.247 -1.937 1.00 0.00 C ATOM 680 C GLU A 41 -17.978 12.872 -0.780 1.00 0.00 C ATOM 681 O GLU A 41 -18.580 13.458 0.114 1.00 0.00 O ATOM 682 CB GLU A 41 -18.666 10.718 -1.899 1.00 0.00 C ATOM 683 CG GLU A 41 -19.700 10.066 -2.825 1.00 0.00 C ATOM 684 CD GLU A 41 -19.517 8.554 -2.867 1.00 0.00 C ATOM 685 OE1 GLU A 41 -19.964 7.904 -1.895 1.00 0.00 O ATOM 686 OE2 GLU A 41 -18.921 8.078 -3.857 1.00 0.00 O ATOM 0 H GLU A 41 -17.964 12.010 -3.848 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.806 12.531 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.664 10.406 -2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.820 10.369 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.706 10.305 -2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.603 10.476 -3.830 1.00 0.00 H new ATOM 693 N LEU A 42 -16.651 12.746 -0.794 1.00 0.00 N ATOM 694 CA LEU A 42 -15.779 13.289 0.238 1.00 0.00 C ATOM 695 C LEU A 42 -16.086 14.773 0.463 1.00 0.00 C ATOM 696 O LEU A 42 -16.486 15.169 1.560 1.00 0.00 O ATOM 697 CB LEU A 42 -14.318 13.015 -0.168 1.00 0.00 C ATOM 698 CG LEU A 42 -13.216 13.479 0.802 1.00 0.00 C ATOM 699 CD1 LEU A 42 -12.870 14.965 0.650 1.00 0.00 C ATOM 700 CD2 LEU A 42 -13.532 13.131 2.260 1.00 0.00 C ATOM 0 H LEU A 42 -16.148 12.256 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.952 12.803 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.205 11.941 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.141 13.491 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.327 12.916 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.087 15.231 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.519 15.155 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.757 15.567 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.723 13.481 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.463 13.614 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.635 12.051 2.362 1.00 0.00 H new ATOM 712 N LYS A 43 -15.918 15.590 -0.579 1.00 0.00 N ATOM 713 CA LYS A 43 -16.112 17.031 -0.514 1.00 0.00 C ATOM 714 C LYS A 43 -17.523 17.380 -0.043 1.00 0.00 C ATOM 715 O LYS A 43 -17.687 18.275 0.787 1.00 0.00 O ATOM 716 CB LYS A 43 -15.792 17.668 -1.874 1.00 0.00 C ATOM 717 CG LYS A 43 -14.298 17.621 -2.234 1.00 0.00 C ATOM 718 CD LYS A 43 -13.361 18.325 -1.236 1.00 0.00 C ATOM 719 CE LYS A 43 -13.778 19.770 -0.933 1.00 0.00 C ATOM 720 NZ LYS A 43 -12.816 20.425 -0.030 1.00 0.00 N ATOM 0 H LYS A 43 -15.639 15.259 -1.503 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.422 17.442 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.361 17.156 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.124 18.706 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.994 16.578 -2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.163 18.074 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.339 17.757 -0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.347 18.322 -1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.849 20.333 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.769 19.778 -0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.067 21.429 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.842 19.961 0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.858 20.348 -0.428 1.00 0.00 H new ATOM 734 N ASN A 44 -18.544 16.700 -0.564 1.00 0.00 N ATOM 735 CA ASN A 44 -19.920 16.887 -0.122 1.00 0.00 C ATOM 736 C ASN A 44 -20.039 16.621 1.378 1.00 0.00 C ATOM 737 O ASN A 44 -20.553 17.455 2.115 1.00 0.00 O ATOM 738 CB ASN A 44 -20.848 15.954 -0.905 1.00 0.00 C ATOM 739 CG ASN A 44 -22.254 15.940 -0.318 1.00 0.00 C ATOM 740 OD1 ASN A 44 -22.946 16.950 -0.324 1.00 0.00 O ATOM 741 ND2 ASN A 44 -22.687 14.793 0.200 1.00 0.00 N ATOM 0 H ASN A 44 -18.438 16.005 -1.303 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.215 17.919 -0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -20.891 16.273 -1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.440 14.943 -0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -23.620 14.738 0.608 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -22.085 13.969 0.189 1.00 0.00 H new ATOM 748 N LYS A 45 -19.578 15.450 1.820 1.00 0.00 N ATOM 749 CA LYS A 45 -19.749 14.980 3.184 1.00 0.00 C ATOM 750 C LYS A 45 -19.040 15.898 4.180 1.00 0.00 C ATOM 751 O LYS A 45 -19.604 16.184 5.234 1.00 0.00 O ATOM 752 CB LYS A 45 -19.276 13.526 3.303 1.00 0.00 C ATOM 753 CG LYS A 45 -20.181 12.558 2.524 1.00 0.00 C ATOM 754 CD LYS A 45 -21.406 12.131 3.346 1.00 0.00 C ATOM 755 CE LYS A 45 -22.367 11.255 2.530 1.00 0.00 C ATOM 756 NZ LYS A 45 -21.734 10.002 2.077 1.00 0.00 N ATOM 0 H LYS A 45 -19.068 14.796 1.226 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.810 15.009 3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.255 13.446 2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -19.256 13.237 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.511 13.034 1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.609 11.675 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -21.077 11.583 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.933 13.017 3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.243 11.019 3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.719 11.815 1.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.447 9.399 1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.978 10.221 1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.331 9.502 2.895 1.00 0.00 H new ATOM 770 N MET A 46 -17.828 16.376 3.871 1.00 0.00 N ATOM 771 CA MET A 46 -17.198 17.355 4.752 1.00 0.00 C ATOM 772 C MET A 46 -17.915 18.710 4.688 1.00 0.00 C ATOM 773 O MET A 46 -18.180 19.302 5.731 1.00 0.00 O ATOM 774 CB MET A 46 -15.677 17.451 4.561 1.00 0.00 C ATOM 775 CG MET A 46 -15.207 17.898 3.174 1.00 0.00 C ATOM 776 SD MET A 46 -13.454 18.325 3.032 1.00 0.00 S ATOM 777 CE MET A 46 -12.683 16.876 3.787 1.00 0.00 C ATOM 0 H MET A 46 -17.285 16.111 3.049 1.00 0.00 H new ATOM 0 HA MET A 46 -17.319 16.990 5.772 1.00 0.00 H new ATOM 0 HB2 MET A 46 -15.280 18.147 5.300 1.00 0.00 H new ATOM 0 HB3 MET A 46 -15.241 16.475 4.775 1.00 0.00 H new ATOM 0 HG2 MET A 46 -15.425 17.101 2.463 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.797 18.764 2.873 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.607 16.906 3.616 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.880 16.876 4.859 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.096 15.971 3.342 1.00 0.00 H new ATOM 787 N GLN A 47 -18.224 19.217 3.487 1.00 0.00 N ATOM 788 CA GLN A 47 -18.772 20.564 3.358 1.00 0.00 C ATOM 789 C GLN A 47 -20.207 20.634 3.876 1.00 0.00 C ATOM 790 O GLN A 47 -20.482 21.350 4.840 1.00 0.00 O ATOM 791 CB GLN A 47 -18.701 21.056 1.907 1.00 0.00 C ATOM 792 CG GLN A 47 -17.263 21.356 1.465 1.00 0.00 C ATOM 793 CD GLN A 47 -17.200 21.652 -0.028 1.00 0.00 C ATOM 794 OE1 GLN A 47 -16.855 22.748 -0.455 1.00 0.00 O ATOM 795 NE2 GLN A 47 -17.539 20.653 -0.834 1.00 0.00 N ATOM 0 H GLN A 47 -18.104 18.719 2.605 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.158 21.223 3.972 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -19.132 20.302 1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -19.307 21.956 1.800 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.877 22.208 2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.622 20.505 1.698 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -17.821 19.755 -0.442 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.517 20.784 -1.845 1.00 0.00 H new ATOM 804 N GLN A 48 -21.112 19.909 3.210 1.00 0.00 N ATOM 805 CA GLN A 48 -22.560 19.917 3.383 1.00 0.00 C ATOM 806 C GLN A 48 -23.152 21.309 3.140 1.00 0.00 C ATOM 807 O GLN A 48 -23.837 21.518 2.142 1.00 0.00 O ATOM 808 CB GLN A 48 -22.965 19.294 4.726 1.00 0.00 C ATOM 809 CG GLN A 48 -22.447 17.852 4.807 1.00 0.00 C ATOM 810 CD GLN A 48 -22.852 17.172 6.111 1.00 0.00 C ATOM 811 OE1 GLN A 48 -23.998 17.261 6.537 1.00 0.00 O ATOM 812 NE2 GLN A 48 -21.920 16.488 6.766 1.00 0.00 N ATOM 0 H GLN A 48 -20.825 19.254 2.483 1.00 0.00 H new ATOM 0 HA GLN A 48 -23.000 19.279 2.616 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.558 19.883 5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.050 19.307 4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -22.834 17.280 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -21.360 17.852 4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -20.973 16.428 6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -22.151 16.022 7.644 1.00 0.00 H new ATOM 821 N LYS A 49 -22.887 22.258 4.040 1.00 0.00 N ATOM 822 CA LYS A 49 -23.195 23.663 3.822 1.00 0.00 C ATOM 823 C LYS A 49 -21.994 24.320 3.129 1.00 0.00 C ATOM 824 O LYS A 49 -21.059 23.645 2.700 1.00 0.00 O ATOM 825 CB LYS A 49 -23.583 24.339 5.148 1.00 0.00 C ATOM 826 CG LYS A 49 -22.412 24.459 6.133 1.00 0.00 C ATOM 827 CD LYS A 49 -22.805 25.172 7.435 1.00 0.00 C ATOM 828 CE LYS A 49 -23.267 26.624 7.237 1.00 0.00 C ATOM 829 NZ LYS A 49 -22.294 27.430 6.476 1.00 0.00 N ATOM 0 H LYS A 49 -22.451 22.068 4.942 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.060 23.777 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -23.977 25.334 4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -24.386 23.770 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -22.036 23.463 6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -21.596 25.003 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -23.604 24.610 7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -21.953 25.162 8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -24.224 26.629 6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -23.432 27.085 8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -22.256 28.392 6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.353 26.992 6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -22.586 27.476 5.479 1.00 0.00 H new ATOM 843 N SER A 50 -21.981 25.651 3.056 1.00 0.00 N ATOM 844 CA SER A 50 -20.980 26.443 2.363 1.00 0.00 C ATOM 845 C SER A 50 -19.654 26.545 3.131 1.00 0.00 C ATOM 846 O SER A 50 -19.068 27.622 3.232 1.00 0.00 O ATOM 847 CB SER A 50 -21.627 27.815 2.121 1.00 0.00 C ATOM 848 OG SER A 50 -22.406 28.164 3.259 1.00 0.00 O ATOM 0 H SER A 50 -22.699 26.225 3.498 1.00 0.00 H new ATOM 0 HA SER A 50 -20.697 25.968 1.424 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.859 28.568 1.945 1.00 0.00 H new ATOM 0 HB3 SER A 50 -22.254 27.784 1.230 1.00 0.00 H new ATOM 0 HG SER A 50 -23.354 28.007 3.067 1.00 0.00 H new ATOM 854 N GLN A 51 -19.122 25.422 3.621 1.00 0.00 N ATOM 855 CA GLN A 51 -17.787 25.386 4.205 1.00 0.00 C ATOM 856 C GLN A 51 -16.748 25.379 3.082 1.00 0.00 C ATOM 857 O GLN A 51 -16.032 24.399 2.888 1.00 0.00 O ATOM 858 CB GLN A 51 -17.638 24.169 5.119 1.00 0.00 C ATOM 859 CG GLN A 51 -18.566 24.244 6.334 1.00 0.00 C ATOM 860 CD GLN A 51 -18.291 23.107 7.309 1.00 0.00 C ATOM 861 OE1 GLN A 51 -17.687 23.315 8.356 1.00 0.00 O ATOM 862 NE2 GLN A 51 -18.733 21.900 6.978 1.00 0.00 N ATOM 0 H GLN A 51 -19.603 24.522 3.623 1.00 0.00 H new ATOM 0 HA GLN A 51 -17.628 26.273 4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -17.855 23.263 4.553 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.604 24.094 5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -18.431 25.200 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -19.604 24.201 6.005 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -19.232 21.763 6.099 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.574 21.110 7.603 1.00 0.00 H new ATOM 871 N LYS A 52 -16.670 26.482 2.333 1.00 0.00 N ATOM 872 CA LYS A 52 -15.614 26.677 1.349 1.00 0.00 C ATOM 873 C LYS A 52 -14.279 26.739 2.094 1.00 0.00 C ATOM 874 O LYS A 52 -13.303 26.099 1.709 1.00 0.00 O ATOM 875 CB LYS A 52 -15.897 27.947 0.532 1.00 0.00 C ATOM 876 CG LYS A 52 -14.834 28.250 -0.535 1.00 0.00 C ATOM 877 CD LYS A 52 -14.659 27.096 -1.532 1.00 0.00 C ATOM 878 CE LYS A 52 -13.744 27.519 -2.685 1.00 0.00 C ATOM 879 NZ LYS A 52 -13.542 26.416 -3.641 1.00 0.00 N ATOM 0 H LYS A 52 -17.332 27.255 2.394 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.573 25.851 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.867 27.846 0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.968 28.796 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.114 29.154 -1.076 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.881 28.452 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.237 26.229 -1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.631 26.794 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.178 28.375 -3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.781 27.840 -2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.918 26.733 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.106 25.608 -3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.459 26.127 -4.036 1.00 0.00 H new ATOM 893 N LYS A 53 -14.251 27.519 3.179 1.00 0.00 N ATOM 894 CA LYS A 53 -13.143 27.518 4.118 1.00 0.00 C ATOM 895 C LYS A 53 -13.037 26.125 4.757 1.00 0.00 C ATOM 896 O LYS A 53 -14.069 25.495 4.995 1.00 0.00 O ATOM 897 CB LYS A 53 -13.357 28.619 5.172 1.00 0.00 C ATOM 898 CG LYS A 53 -14.587 28.386 6.066 1.00 0.00 C ATOM 899 CD LYS A 53 -14.809 29.592 6.987 1.00 0.00 C ATOM 900 CE LYS A 53 -15.960 29.350 7.972 1.00 0.00 C ATOM 901 NZ LYS A 53 -17.251 29.163 7.284 1.00 0.00 N ATOM 0 H LYS A 53 -15.000 28.167 3.424 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.205 27.733 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.469 28.686 5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.463 29.579 4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.470 28.224 5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.446 27.485 6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.894 29.800 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.025 30.475 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.741 28.469 8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.034 30.195 8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -18.012 29.087 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.434 29.976 6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.218 28.293 6.715 1.00 0.00 H new ATOM 915 N PRO A 54 -11.823 25.641 5.056 1.00 0.00 N ATOM 916 CA PRO A 54 -11.612 24.345 5.682 1.00 0.00 C ATOM 917 C PRO A 54 -12.091 24.377 7.138 1.00 0.00 C ATOM 918 O PRO A 54 -11.294 24.468 8.070 1.00 0.00 O ATOM 919 CB PRO A 54 -10.107 24.081 5.548 1.00 0.00 C ATOM 920 CG PRO A 54 -9.508 25.486 5.540 1.00 0.00 C ATOM 921 CD PRO A 54 -10.556 26.300 4.789 1.00 0.00 C ATOM 0 HA PRO A 54 -12.181 23.542 5.213 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.727 23.485 6.378 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.873 23.538 4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.351 25.864 6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.541 25.510 5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.571 27.334 5.134 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.343 26.323 3.720 1.00 0.00 H new ATOM 929 N GLU A 55 -13.411 24.302 7.332 1.00 0.00 N ATOM 930 CA GLU A 55 -14.059 24.260 8.633 1.00 0.00 C ATOM 931 C GLU A 55 -13.570 25.422 9.499 1.00 0.00 C ATOM 932 O GLU A 55 -14.091 26.533 9.401 1.00 0.00 O ATOM 933 CB GLU A 55 -13.828 22.899 9.316 1.00 0.00 C ATOM 934 CG GLU A 55 -14.487 21.718 8.581 1.00 0.00 C ATOM 935 CD GLU A 55 -13.872 21.433 7.214 1.00 0.00 C ATOM 936 OE1 GLU A 55 -12.699 20.998 7.197 1.00 0.00 O ATOM 937 OE2 GLU A 55 -14.577 21.669 6.209 1.00 0.00 O ATOM 0 H GLU A 55 -14.074 24.268 6.558 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.135 24.372 8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.756 22.717 9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.215 22.943 10.334 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.407 20.825 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.550 21.925 8.456 1.00 0.00 H new TER 944 GLU A 55