USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 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 48 GLN : amide:sc= 1.9 K(o=2.8,f=-2.3) USER MOD Set 1.2: A 52 LYS NZ :NH3+ -119:sc= 0.88 (180deg=-0.0101) USER MOD Set 2.1: A 43 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00103) USER MOD Set 2.2: A 47 GLN : amide:sc= 0.294 X(o=0.29,f=0) USER MOD Set 3.1: A 1 MET N :NH3+ -169:sc= 0.79 (180deg=0) USER MOD Set 3.2: A 3 SER OG : rot -119:sc= 0.803 USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0849) USER MOD Single : A 9 GLN : amide:sc= 0.277 X(o=0.28,f=-0.029) USER MOD Single : A 10 LYS NZ :NH3+ -121:sc= 0.00286 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc=-0.00152 (180deg=-0.0485) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -4:sc= 0.785 USER MOD Single : A 23 THR OG1 : rot -81:sc= 1.24 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0274) USER MOD Single : A 30 THR OG1 : rot -70:sc= 1.2 USER MOD Single : A 32 THR OG1 : rot 83:sc= 1.1 USER MOD Single : A 33 SER OG : rot 82:sc= 0.0049 USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0.344 (180deg=0.342) USER MOD Single : A 36 SER OG : rot 180:sc= 0 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 44 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.27) USER MOD Single : A 46 MET CE :methyl 165:sc= 0 (180deg=-0.102) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.23) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 1.11 K(o=1.1,f=-0.13) USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= 1.13 (180deg=0.644) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.382 7.530 11.495 1.00 0.00 N ATOM 2 CA MET A 1 -17.454 8.401 10.796 1.00 0.00 C ATOM 3 C MET A 1 -16.280 7.566 10.292 1.00 0.00 C ATOM 4 O MET A 1 -15.981 7.563 9.101 1.00 0.00 O ATOM 5 CB MET A 1 -16.995 9.534 11.721 1.00 0.00 C ATOM 6 CG MET A 1 -16.125 10.546 10.960 1.00 0.00 C ATOM 7 SD MET A 1 -15.549 11.973 11.915 1.00 0.00 S ATOM 8 CE MET A 1 -14.467 11.166 13.115 1.00 0.00 C ATOM 0 H1 MET A 1 -19.268 8.043 11.680 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.582 6.694 10.909 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.962 7.228 12.397 1.00 0.00 H new ATOM 0 HA MET A 1 -17.942 8.864 9.939 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.864 10.040 12.142 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.431 9.120 12.557 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.254 10.022 10.565 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.692 10.912 10.104 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.939 11.923 13.696 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.064 10.546 13.784 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.744 10.542 12.591 1.00 0.00 H new ATOM 18 N ALA A 2 -15.648 6.815 11.197 1.00 0.00 N ATOM 19 CA ALA A 2 -14.643 5.823 10.836 1.00 0.00 C ATOM 20 C ALA A 2 -15.210 4.864 9.785 1.00 0.00 C ATOM 21 O ALA A 2 -14.522 4.487 8.842 1.00 0.00 O ATOM 22 CB ALA A 2 -14.184 5.069 12.086 1.00 0.00 C ATOM 0 H ALA A 2 -15.821 6.881 12.200 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.776 6.323 10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.433 4.329 11.809 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.754 5.773 12.798 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.037 4.567 12.542 1.00 0.00 H new ATOM 28 N SER A 3 -16.487 4.512 9.938 1.00 0.00 N ATOM 29 CA SER A 3 -17.280 3.794 8.959 1.00 0.00 C ATOM 30 C SER A 3 -17.173 4.463 7.587 1.00 0.00 C ATOM 31 O SER A 3 -16.730 3.857 6.616 1.00 0.00 O ATOM 32 CB SER A 3 -18.726 3.817 9.467 1.00 0.00 C ATOM 33 OG SER A 3 -19.017 5.101 10.012 1.00 0.00 O ATOM 0 H SER A 3 -17.012 4.732 10.785 1.00 0.00 H new ATOM 0 HA SER A 3 -16.927 2.770 8.840 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.413 3.592 8.651 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.869 3.047 10.225 1.00 0.00 H new ATOM 0 HG SER A 3 -19.250 5.009 10.959 1.00 0.00 H new ATOM 39 N VAL A 4 -17.595 5.724 7.512 1.00 0.00 N ATOM 40 CA VAL A 4 -17.598 6.498 6.278 1.00 0.00 C ATOM 41 C VAL A 4 -16.193 6.514 5.662 1.00 0.00 C ATOM 42 O VAL A 4 -16.026 6.201 4.482 1.00 0.00 O ATOM 43 CB VAL A 4 -18.147 7.913 6.536 1.00 0.00 C ATOM 44 CG1 VAL A 4 -18.230 8.706 5.228 1.00 0.00 C ATOM 45 CG2 VAL A 4 -19.549 7.860 7.161 1.00 0.00 C ATOM 0 H VAL A 4 -17.948 6.240 8.318 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.262 6.027 5.553 1.00 0.00 H new ATOM 0 HB VAL A 4 -17.461 8.403 7.227 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -18.620 9.703 5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -17.236 8.788 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -18.893 8.192 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -19.910 8.874 7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -20.229 7.341 6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -19.504 7.327 8.110 1.00 0.00 H new ATOM 55 N LEU A 5 -15.180 6.853 6.464 1.00 0.00 N ATOM 56 CA LEU A 5 -13.791 6.853 6.025 1.00 0.00 C ATOM 57 C LEU A 5 -13.409 5.487 5.446 1.00 0.00 C ATOM 58 O LEU A 5 -12.857 5.416 4.349 1.00 0.00 O ATOM 59 CB LEU A 5 -12.855 7.245 7.178 1.00 0.00 C ATOM 60 CG LEU A 5 -13.060 8.678 7.702 1.00 0.00 C ATOM 61 CD1 LEU A 5 -12.160 8.904 8.922 1.00 0.00 C ATOM 62 CD2 LEU A 5 -12.735 9.735 6.642 1.00 0.00 C ATOM 0 H LEU A 5 -15.305 7.135 7.436 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.680 7.597 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.000 6.546 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.823 7.137 6.845 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.112 8.783 7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.302 9.918 9.296 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.419 8.189 9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.117 8.766 8.636 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.895 10.729 7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.694 9.634 6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.384 9.595 5.778 1.00 0.00 H new ATOM 74 N GLU A 6 -13.722 4.405 6.164 1.00 0.00 N ATOM 75 CA GLU A 6 -13.467 3.045 5.713 1.00 0.00 C ATOM 76 C GLU A 6 -14.122 2.804 4.350 1.00 0.00 C ATOM 77 O GLU A 6 -13.466 2.319 3.434 1.00 0.00 O ATOM 78 CB GLU A 6 -13.940 2.044 6.777 1.00 0.00 C ATOM 79 CG GLU A 6 -13.573 0.596 6.428 1.00 0.00 C ATOM 80 CD GLU A 6 -14.037 -0.356 7.526 1.00 0.00 C ATOM 81 OE1 GLU A 6 -15.269 -0.546 7.630 1.00 0.00 O ATOM 82 OE2 GLU A 6 -13.155 -0.865 8.251 1.00 0.00 O ATOM 0 H GLU A 6 -14.163 4.455 7.082 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.395 2.898 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.498 2.305 7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.021 2.124 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.033 0.317 5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.494 0.510 6.297 1.00 0.00 H new ATOM 89 N GLU A 7 -15.404 3.148 4.197 1.00 0.00 N ATOM 90 CA GLU A 7 -16.097 2.969 2.926 1.00 0.00 C ATOM 91 C GLU A 7 -15.417 3.757 1.800 1.00 0.00 C ATOM 92 O GLU A 7 -15.191 3.214 0.720 1.00 0.00 O ATOM 93 CB GLU A 7 -17.585 3.328 3.060 1.00 0.00 C ATOM 94 CG GLU A 7 -18.340 2.382 4.007 1.00 0.00 C ATOM 95 CD GLU A 7 -18.298 0.929 3.542 1.00 0.00 C ATOM 96 OE1 GLU A 7 -19.002 0.627 2.555 1.00 0.00 O ATOM 97 OE2 GLU A 7 -17.547 0.148 4.166 1.00 0.00 O ATOM 0 H GLU A 7 -15.978 3.551 4.938 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.037 1.915 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.676 4.351 3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.052 3.299 2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.908 2.453 5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.378 2.705 4.085 1.00 0.00 H new ATOM 104 N LEU A 8 -15.065 5.024 2.033 1.00 0.00 N ATOM 105 CA LEU A 8 -14.350 5.808 1.026 1.00 0.00 C ATOM 106 C LEU A 8 -13.020 5.129 0.670 1.00 0.00 C ATOM 107 O LEU A 8 -12.707 4.940 -0.507 1.00 0.00 O ATOM 108 CB LEU A 8 -14.149 7.255 1.506 1.00 0.00 C ATOM 109 CG LEU A 8 -15.471 8.030 1.654 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.223 9.292 2.485 1.00 0.00 C ATOM 111 CD2 LEU A 8 -16.052 8.435 0.292 1.00 0.00 C ATOM 0 H LEU A 8 -15.261 5.523 2.900 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.951 5.852 0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.631 7.245 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.504 7.779 0.801 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.190 7.376 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.156 9.845 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.851 9.012 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.486 9.919 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.984 8.979 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.340 9.072 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.245 7.541 -0.302 1.00 0.00 H new ATOM 123 N GLN A 9 -12.248 4.722 1.681 1.00 0.00 N ATOM 124 CA GLN A 9 -11.004 3.988 1.482 1.00 0.00 C ATOM 125 C GLN A 9 -11.255 2.704 0.684 1.00 0.00 C ATOM 126 O GLN A 9 -10.442 2.324 -0.158 1.00 0.00 O ATOM 127 CB GLN A 9 -10.342 3.724 2.844 1.00 0.00 C ATOM 128 CG GLN A 9 -8.922 3.143 2.741 1.00 0.00 C ATOM 129 CD GLN A 9 -8.880 1.622 2.893 1.00 0.00 C ATOM 130 OE1 GLN A 9 -8.652 1.112 3.983 1.00 0.00 O ATOM 131 NE2 GLN A 9 -9.087 0.880 1.809 1.00 0.00 N ATOM 0 H GLN A 9 -12.472 4.895 2.661 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.312 4.586 0.889 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.303 4.657 3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.966 3.035 3.414 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.493 3.417 1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.295 3.596 3.509 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.275 1.328 0.912 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.058 -0.137 1.874 1.00 0.00 H new ATOM 140 N LYS A 10 -12.362 2.013 0.945 1.00 0.00 N ATOM 141 CA LYS A 10 -12.716 0.807 0.222 1.00 0.00 C ATOM 142 C LYS A 10 -13.045 1.133 -1.233 1.00 0.00 C ATOM 143 O LYS A 10 -12.653 0.388 -2.122 1.00 0.00 O ATOM 144 CB LYS A 10 -13.870 0.087 0.917 1.00 0.00 C ATOM 145 CG LYS A 10 -14.138 -1.260 0.236 1.00 0.00 C ATOM 146 CD LYS A 10 -15.054 -2.133 1.093 1.00 0.00 C ATOM 147 CE LYS A 10 -16.454 -1.524 1.245 1.00 0.00 C ATOM 148 NZ LYS A 10 -17.334 -2.382 2.055 1.00 0.00 N ATOM 0 H LYS A 10 -13.035 2.278 1.664 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.861 0.132 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.630 -0.070 1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.767 0.705 0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.596 -1.094 -0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.195 -1.778 0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.136 -3.122 0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.608 -2.267 2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.375 -0.541 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.896 -1.376 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.167 -2.652 1.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.817 -3.238 2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.641 -1.863 2.902 1.00 0.00 H new ATOM 162 N ASP A 11 -13.739 2.241 -1.500 1.00 0.00 N ATOM 163 CA ASP A 11 -13.957 2.688 -2.871 1.00 0.00 C ATOM 164 C ASP A 11 -12.600 2.931 -3.553 1.00 0.00 C ATOM 165 O ASP A 11 -12.365 2.478 -4.672 1.00 0.00 O ATOM 166 CB ASP A 11 -14.871 3.922 -2.881 1.00 0.00 C ATOM 167 CG ASP A 11 -15.418 4.271 -4.268 1.00 0.00 C ATOM 168 OD1 ASP A 11 -15.018 3.603 -5.244 1.00 0.00 O ATOM 169 OD2 ASP A 11 -16.245 5.205 -4.316 1.00 0.00 O ATOM 0 H ASP A 11 -14.156 2.840 -0.788 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.470 1.918 -3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.707 3.750 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.317 4.777 -2.493 1.00 0.00 H new ATOM 174 N LEU A 12 -11.669 3.576 -2.837 1.00 0.00 N ATOM 175 CA LEU A 12 -10.275 3.700 -3.260 1.00 0.00 C ATOM 176 C LEU A 12 -9.695 2.317 -3.601 1.00 0.00 C ATOM 177 O LEU A 12 -9.106 2.120 -4.666 1.00 0.00 O ATOM 178 CB LEU A 12 -9.441 4.418 -2.184 1.00 0.00 C ATOM 179 CG LEU A 12 -8.405 5.395 -2.762 1.00 0.00 C ATOM 180 CD1 LEU A 12 -7.684 6.096 -1.605 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.370 4.694 -3.650 1.00 0.00 C ATOM 0 H LEU A 12 -11.867 4.027 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.234 4.309 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.112 4.963 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.927 3.673 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.937 6.113 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.946 6.792 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.409 6.642 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.183 5.353 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.662 5.429 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.836 3.946 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.876 4.209 -4.485 1.00 0.00 H new ATOM 193 N GLU A 13 -9.874 1.340 -2.704 1.00 0.00 N ATOM 194 CA GLU A 13 -9.390 -0.012 -2.931 1.00 0.00 C ATOM 195 C GLU A 13 -10.018 -0.592 -4.200 1.00 0.00 C ATOM 196 O GLU A 13 -9.321 -1.198 -5.007 1.00 0.00 O ATOM 197 CB GLU A 13 -9.658 -0.878 -1.694 1.00 0.00 C ATOM 198 CG GLU A 13 -8.903 -2.210 -1.744 1.00 0.00 C ATOM 199 CD GLU A 13 -9.155 -3.015 -0.475 1.00 0.00 C ATOM 200 OE1 GLU A 13 -10.195 -3.706 -0.438 1.00 0.00 O ATOM 201 OE2 GLU A 13 -8.315 -2.902 0.445 1.00 0.00 O ATOM 0 H GLU A 13 -10.353 1.469 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.311 0.004 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.365 -0.330 -0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.728 -1.072 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.222 -2.783 -2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.835 -2.025 -1.858 1.00 0.00 H new ATOM 208 N GLU A 14 -11.323 -0.393 -4.390 1.00 0.00 N ATOM 209 CA GLU A 14 -12.055 -0.878 -5.545 1.00 0.00 C ATOM 210 C GLU A 14 -11.442 -0.309 -6.825 1.00 0.00 C ATOM 211 O GLU A 14 -11.071 -1.078 -7.711 1.00 0.00 O ATOM 212 CB GLU A 14 -13.550 -0.543 -5.406 1.00 0.00 C ATOM 213 CG GLU A 14 -14.418 -1.221 -6.477 1.00 0.00 C ATOM 214 CD GLU A 14 -14.390 -2.745 -6.379 1.00 0.00 C ATOM 215 OE1 GLU A 14 -14.673 -3.249 -5.271 1.00 0.00 O ATOM 216 OE2 GLU A 14 -14.084 -3.376 -7.414 1.00 0.00 O ATOM 0 H GLU A 14 -11.906 0.120 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.977 -1.964 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.895 -0.849 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.682 0.537 -5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.446 -0.873 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.072 -0.918 -7.465 1.00 0.00 H new ATOM 223 N VAL A 15 -11.317 1.022 -6.933 1.00 0.00 N ATOM 224 CA VAL A 15 -10.716 1.601 -8.132 1.00 0.00 C ATOM 225 C VAL A 15 -9.312 1.037 -8.341 1.00 0.00 C ATOM 226 O VAL A 15 -9.013 0.594 -9.442 1.00 0.00 O ATOM 227 CB VAL A 15 -10.777 3.141 -8.185 1.00 0.00 C ATOM 228 CG1 VAL A 15 -10.039 3.852 -7.055 1.00 0.00 C ATOM 229 CG2 VAL A 15 -10.251 3.666 -9.528 1.00 0.00 C ATOM 0 H VAL A 15 -11.615 1.695 -6.227 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.328 1.296 -8.981 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.835 3.374 -8.063 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.138 4.931 -7.178 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.467 3.555 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.984 3.580 -7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.305 4.755 -9.539 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.216 3.353 -9.661 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.859 3.264 -10.339 1.00 0.00 H new ATOM 239 N LYS A 16 -8.469 1.004 -7.303 1.00 0.00 N ATOM 240 CA LYS A 16 -7.126 0.436 -7.418 1.00 0.00 C ATOM 241 C LYS A 16 -7.170 -0.996 -7.981 1.00 0.00 C ATOM 242 O LYS A 16 -6.502 -1.307 -8.969 1.00 0.00 O ATOM 243 CB LYS A 16 -6.437 0.506 -6.049 1.00 0.00 C ATOM 244 CG LYS A 16 -4.989 -0.002 -6.101 1.00 0.00 C ATOM 245 CD LYS A 16 -4.255 0.208 -4.767 1.00 0.00 C ATOM 246 CE LYS A 16 -4.967 -0.423 -3.562 1.00 0.00 C ATOM 247 NZ LYS A 16 -5.293 -1.842 -3.794 1.00 0.00 N ATOM 0 H LYS A 16 -8.695 1.364 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.541 1.019 -8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.446 1.536 -5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.002 -0.086 -5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.986 -1.062 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.452 0.516 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.252 -0.211 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.141 1.277 -4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.333 -0.336 -2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.883 0.130 -3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.632 -2.270 -2.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.035 -1.914 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.442 -2.345 -4.118 1.00 0.00 H new ATOM 261 N VAL A 17 -7.962 -1.865 -7.352 1.00 0.00 N ATOM 262 CA VAL A 17 -8.141 -3.255 -7.743 1.00 0.00 C ATOM 263 C VAL A 17 -8.565 -3.346 -9.213 1.00 0.00 C ATOM 264 O VAL A 17 -7.954 -4.085 -9.986 1.00 0.00 O ATOM 265 CB VAL A 17 -9.131 -3.937 -6.779 1.00 0.00 C ATOM 266 CG1 VAL A 17 -9.656 -5.271 -7.316 1.00 0.00 C ATOM 267 CG2 VAL A 17 -8.437 -4.209 -5.436 1.00 0.00 C ATOM 0 H VAL A 17 -8.511 -1.609 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.196 -3.793 -7.666 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.975 -3.257 -6.664 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.349 -5.706 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.172 -5.105 -8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.821 -5.954 -7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.138 -4.691 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.579 -4.862 -5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.101 -3.267 -5.003 1.00 0.00 H new ATOM 277 N LEU A 18 -9.598 -2.605 -9.615 1.00 0.00 N ATOM 278 CA LEU A 18 -10.042 -2.628 -11.002 1.00 0.00 C ATOM 279 C LEU A 18 -8.956 -2.101 -11.942 1.00 0.00 C ATOM 280 O LEU A 18 -8.737 -2.696 -12.992 1.00 0.00 O ATOM 281 CB LEU A 18 -11.352 -1.856 -11.182 1.00 0.00 C ATOM 282 CG LEU A 18 -12.557 -2.472 -10.449 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.809 -1.682 -10.839 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.779 -3.953 -10.787 1.00 0.00 C ATOM 0 H LEU A 18 -10.135 -1.989 -9.005 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.233 -3.668 -11.267 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.210 -0.835 -10.828 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.581 -1.796 -12.246 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.355 -2.418 -9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.677 -2.102 -10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.687 -0.639 -10.547 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.956 -1.742 -11.917 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.643 -4.326 -10.237 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.956 -4.059 -11.857 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.896 -4.527 -10.507 1.00 0.00 H new ATOM 296 N LEU A 19 -8.281 -1.010 -11.572 1.00 0.00 N ATOM 297 CA LEU A 19 -7.189 -0.416 -12.333 1.00 0.00 C ATOM 298 C LEU A 19 -6.166 -1.504 -12.666 1.00 0.00 C ATOM 299 O LEU A 19 -5.888 -1.764 -13.834 1.00 0.00 O ATOM 300 CB LEU A 19 -6.564 0.731 -11.511 1.00 0.00 C ATOM 301 CG LEU A 19 -5.679 1.696 -12.311 1.00 0.00 C ATOM 302 CD1 LEU A 19 -6.554 2.743 -13.012 1.00 0.00 C ATOM 303 CD2 LEU A 19 -4.714 2.420 -11.365 1.00 0.00 C ATOM 0 H LEU A 19 -8.488 -0.505 -10.710 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.552 0.005 -13.271 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.366 1.301 -11.043 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.969 0.299 -10.706 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.117 1.125 -13.050 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.921 3.426 -13.579 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.247 2.244 -13.690 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.117 3.305 -12.267 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.088 3.104 -11.938 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.283 2.983 -10.625 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.084 1.689 -10.859 1.00 0.00 H new ATOM 315 N GLU A 20 -5.618 -2.167 -11.643 1.00 0.00 N ATOM 316 CA GLU A 20 -4.601 -3.186 -11.873 1.00 0.00 C ATOM 317 C GLU A 20 -5.174 -4.392 -12.629 1.00 0.00 C ATOM 318 O GLU A 20 -4.606 -4.804 -13.639 1.00 0.00 O ATOM 319 CB GLU A 20 -3.859 -3.543 -10.575 1.00 0.00 C ATOM 320 CG GLU A 20 -4.734 -4.192 -9.498 1.00 0.00 C ATOM 321 CD GLU A 20 -4.016 -4.274 -8.156 1.00 0.00 C ATOM 322 OE1 GLU A 20 -3.003 -5.004 -8.104 1.00 0.00 O ATOM 323 OE2 GLU A 20 -4.492 -3.610 -7.209 1.00 0.00 O ATOM 0 H GLU A 20 -5.860 -2.017 -10.663 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.839 -2.772 -12.533 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.039 -4.220 -10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.414 -2.636 -10.165 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.654 -3.618 -9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.021 -5.194 -9.818 1.00 0.00 H new ATOM 330 N LYS A 21 -6.288 -4.967 -12.158 1.00 0.00 N ATOM 331 CA LYS A 21 -6.836 -6.179 -12.760 1.00 0.00 C ATOM 332 C LYS A 21 -7.300 -5.918 -14.192 1.00 0.00 C ATOM 333 O LYS A 21 -6.812 -6.531 -15.139 1.00 0.00 O ATOM 334 CB LYS A 21 -7.997 -6.730 -11.919 1.00 0.00 C ATOM 335 CG LYS A 21 -7.513 -7.306 -10.585 1.00 0.00 C ATOM 336 CD LYS A 21 -8.704 -7.885 -9.815 1.00 0.00 C ATOM 337 CE LYS A 21 -8.221 -8.568 -8.529 1.00 0.00 C ATOM 338 NZ LYS A 21 -9.355 -9.017 -7.703 1.00 0.00 N ATOM 0 H LYS A 21 -6.822 -4.611 -11.365 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.041 -6.925 -12.786 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.718 -5.935 -11.731 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.517 -7.505 -12.482 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.768 -8.082 -10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.029 -6.528 -9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.410 -7.091 -9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.236 -8.603 -10.439 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.592 -9.422 -8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.603 -7.876 -7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.997 -9.475 -6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.940 -8.198 -7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.930 -9.696 -8.242 1.00 0.00 H new ATOM 352 N SER A 22 -8.266 -5.017 -14.360 1.00 0.00 N ATOM 353 CA SER A 22 -8.800 -4.681 -15.666 1.00 0.00 C ATOM 354 C SER A 22 -7.872 -3.688 -16.354 1.00 0.00 C ATOM 355 O SER A 22 -8.282 -2.571 -16.658 1.00 0.00 O ATOM 356 CB SER A 22 -10.219 -4.117 -15.523 1.00 0.00 C ATOM 357 OG SER A 22 -11.077 -5.108 -14.982 1.00 0.00 O ATOM 0 H SER A 22 -8.696 -4.503 -13.591 1.00 0.00 H new ATOM 0 HA SER A 22 -8.859 -5.578 -16.283 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.208 -3.240 -14.876 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.591 -3.792 -16.495 1.00 0.00 H new ATOM 0 HG SER A 22 -10.584 -5.949 -14.883 1.00 0.00 H new ATOM 363 N THR A 23 -6.655 -4.114 -16.697 1.00 0.00 N ATOM 364 CA THR A 23 -5.640 -3.285 -17.343 1.00 0.00 C ATOM 365 C THR A 23 -5.953 -3.000 -18.830 1.00 0.00 C ATOM 366 O THR A 23 -5.053 -2.807 -19.643 1.00 0.00 O ATOM 367 CB THR A 23 -4.260 -3.952 -17.130 1.00 0.00 C ATOM 368 OG1 THR A 23 -4.380 -5.164 -16.402 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.298 -3.035 -16.370 1.00 0.00 C ATOM 0 H THR A 23 -6.342 -5.070 -16.528 1.00 0.00 H new ATOM 0 HA THR A 23 -5.634 -2.298 -16.880 1.00 0.00 H new ATOM 0 HB THR A 23 -3.863 -4.153 -18.125 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.454 -4.965 -15.445 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.340 -3.539 -16.241 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.150 -2.115 -16.935 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.718 -2.797 -15.393 1.00 0.00 H new ATOM 377 N ARG A 24 -7.239 -2.978 -19.188 1.00 0.00 N ATOM 378 CA ARG A 24 -7.779 -2.631 -20.490 1.00 0.00 C ATOM 379 C ARG A 24 -8.054 -1.122 -20.510 1.00 0.00 C ATOM 380 O ARG A 24 -7.742 -0.421 -19.551 1.00 0.00 O ATOM 381 CB ARG A 24 -9.074 -3.443 -20.671 1.00 0.00 C ATOM 382 CG ARG A 24 -8.807 -4.956 -20.664 1.00 0.00 C ATOM 383 CD ARG A 24 -10.104 -5.747 -20.460 1.00 0.00 C ATOM 384 NE ARG A 24 -10.560 -5.699 -19.060 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.599 -6.405 -18.590 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.359 -7.112 -19.433 1.00 0.00 N ATOM 387 NH2 ARG A 24 -11.885 -6.420 -17.282 1.00 0.00 N ATOM 0 H ARG A 24 -7.975 -3.220 -18.525 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.091 -2.861 -21.303 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.773 -3.194 -19.873 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.550 -3.163 -21.611 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.343 -5.250 -21.605 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.101 -5.200 -19.870 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.881 -5.344 -21.109 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.947 -6.784 -20.756 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.057 -5.094 -18.411 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.148 -7.114 -20.431 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.150 -7.650 -19.078 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.309 -5.890 -16.628 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.679 -6.962 -16.940 1.00 0.00 H new ATOM 401 N LYS A 25 -8.741 -0.624 -21.547 1.00 0.00 N ATOM 402 CA LYS A 25 -9.257 0.750 -21.577 1.00 0.00 C ATOM 403 C LYS A 25 -10.032 1.086 -20.296 1.00 0.00 C ATOM 404 O LYS A 25 -10.047 2.239 -19.863 1.00 0.00 O ATOM 405 CB LYS A 25 -10.149 0.949 -22.809 1.00 0.00 C ATOM 406 CG LYS A 25 -9.322 0.949 -24.099 1.00 0.00 C ATOM 407 CD LYS A 25 -10.245 1.124 -25.313 1.00 0.00 C ATOM 408 CE LYS A 25 -9.455 1.234 -26.624 1.00 0.00 C ATOM 409 NZ LYS A 25 -8.701 0.004 -26.923 1.00 0.00 N ATOM 0 H LYS A 25 -8.954 -1.162 -22.387 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.407 1.429 -21.637 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.895 0.156 -22.853 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.690 1.891 -22.721 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.588 1.754 -24.070 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.767 0.015 -24.185 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.930 0.278 -25.372 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.853 2.019 -25.180 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.142 1.446 -27.444 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.765 2.075 -26.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.237 0.098 -27.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.980 -0.149 -26.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.352 -0.806 -26.942 1.00 0.00 H new ATOM 423 N ARG A 26 -10.623 0.055 -19.677 1.00 0.00 N ATOM 424 CA ARG A 26 -11.227 0.080 -18.353 1.00 0.00 C ATOM 425 C ARG A 26 -10.433 0.947 -17.375 1.00 0.00 C ATOM 426 O ARG A 26 -11.044 1.642 -16.567 1.00 0.00 O ATOM 427 CB ARG A 26 -11.288 -1.350 -17.809 1.00 0.00 C ATOM 428 CG ARG A 26 -12.341 -2.231 -18.500 1.00 0.00 C ATOM 429 CD ARG A 26 -13.790 -1.911 -18.097 1.00 0.00 C ATOM 430 NE ARG A 26 -13.968 -1.789 -16.642 1.00 0.00 N ATOM 431 CZ ARG A 26 -13.661 -2.729 -15.736 1.00 0.00 C ATOM 432 NH1 ARG A 26 -13.340 -3.971 -16.108 1.00 0.00 N ATOM 433 NH2 ARG A 26 -13.653 -2.407 -14.442 1.00 0.00 N ATOM 0 H ARG A 26 -10.692 -0.863 -20.116 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.225 0.509 -18.448 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.308 -1.814 -17.922 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.502 -1.314 -16.741 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.242 -2.118 -19.580 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.133 -3.276 -18.269 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.097 -0.980 -18.574 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.448 -2.695 -18.474 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.359 -0.914 -16.292 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.325 -4.219 -17.097 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.110 -4.671 -15.403 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.879 -1.456 -14.152 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.421 -3.112 -13.742 1.00 0.00 H new ATOM 447 N LEU A 27 -9.096 0.919 -17.435 1.00 0.00 N ATOM 448 CA LEU A 27 -8.232 1.804 -16.662 1.00 0.00 C ATOM 449 C LEU A 27 -8.764 3.237 -16.668 1.00 0.00 C ATOM 450 O LEU A 27 -8.993 3.824 -15.616 1.00 0.00 O ATOM 451 CB LEU A 27 -6.819 1.834 -17.261 1.00 0.00 C ATOM 452 CG LEU A 27 -6.035 0.527 -17.120 1.00 0.00 C ATOM 453 CD1 LEU A 27 -4.954 0.448 -18.206 1.00 0.00 C ATOM 454 CD2 LEU A 27 -5.345 0.490 -15.758 1.00 0.00 C ATOM 0 H LEU A 27 -8.582 0.270 -18.031 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.210 1.418 -15.643 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.893 2.085 -18.319 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.254 2.634 -16.783 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.727 -0.309 -17.219 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.399 -0.484 -18.100 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.423 0.482 -19.189 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.270 1.291 -18.101 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.787 -0.441 -15.658 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.661 1.334 -15.674 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.094 0.550 -14.969 1.00 0.00 H new ATOM 466 N ARG A 28 -8.941 3.802 -17.864 1.00 0.00 N ATOM 467 CA ARG A 28 -9.313 5.197 -18.033 1.00 0.00 C ATOM 468 C ARG A 28 -10.701 5.430 -17.449 1.00 0.00 C ATOM 469 O ARG A 28 -10.904 6.383 -16.695 1.00 0.00 O ATOM 470 CB ARG A 28 -9.268 5.588 -19.517 1.00 0.00 C ATOM 471 CG ARG A 28 -7.855 5.437 -20.096 1.00 0.00 C ATOM 472 CD ARG A 28 -7.802 5.899 -21.556 1.00 0.00 C ATOM 473 NE ARG A 28 -8.039 7.344 -21.677 1.00 0.00 N ATOM 474 CZ ARG A 28 -8.111 8.008 -22.839 1.00 0.00 C ATOM 475 NH1 ARG A 28 -7.968 7.353 -23.998 1.00 0.00 N ATOM 476 NH2 ARG A 28 -8.321 9.327 -22.838 1.00 0.00 N ATOM 0 H ARG A 28 -8.828 3.297 -18.743 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.600 5.826 -17.501 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.962 4.964 -20.080 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.601 6.619 -19.633 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.151 6.020 -19.502 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.541 4.395 -20.030 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.829 5.653 -21.981 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.549 5.358 -22.136 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.157 7.879 -20.817 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.804 6.346 -23.998 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.023 7.861 -24.881 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.426 9.826 -21.955 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.376 9.835 -23.721 1.00 0.00 H new ATOM 490 N ASP A 29 -11.646 4.552 -17.798 1.00 0.00 N ATOM 491 CA ASP A 29 -13.018 4.636 -17.313 1.00 0.00 C ATOM 492 C ASP A 29 -13.037 4.640 -15.785 1.00 0.00 C ATOM 493 O ASP A 29 -13.532 5.579 -15.166 1.00 0.00 O ATOM 494 CB ASP A 29 -13.859 3.474 -17.859 1.00 0.00 C ATOM 495 CG ASP A 29 -13.927 3.482 -19.381 1.00 0.00 C ATOM 496 OD1 ASP A 29 -14.840 4.154 -19.908 1.00 0.00 O ATOM 497 OD2 ASP A 29 -13.060 2.815 -19.987 1.00 0.00 O ATOM 0 H ASP A 29 -11.477 3.765 -18.425 1.00 0.00 H new ATOM 0 HA ASP A 29 -13.455 5.568 -17.671 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.434 2.529 -17.520 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.868 3.534 -17.451 1.00 0.00 H new ATOM 502 N THR A 30 -12.494 3.586 -15.175 1.00 0.00 N ATOM 503 CA THR A 30 -12.481 3.430 -13.730 1.00 0.00 C ATOM 504 C THR A 30 -11.761 4.596 -13.079 1.00 0.00 C ATOM 505 O THR A 30 -12.332 5.220 -12.190 1.00 0.00 O ATOM 506 CB THR A 30 -11.864 2.095 -13.305 1.00 0.00 C ATOM 507 OG1 THR A 30 -10.582 1.908 -13.861 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.784 0.945 -13.699 1.00 0.00 C ATOM 0 H THR A 30 -12.050 2.816 -15.676 1.00 0.00 H new ATOM 0 HA THR A 30 -13.516 3.425 -13.388 1.00 0.00 H new ATOM 0 HB THR A 30 -11.751 2.112 -12.221 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.663 1.755 -14.826 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.336 -0.000 -13.392 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.749 1.066 -13.207 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.925 0.946 -14.780 1.00 0.00 H new ATOM 516 N LEU A 31 -10.536 4.903 -13.518 1.00 0.00 N ATOM 517 CA LEU A 31 -9.785 6.031 -12.997 1.00 0.00 C ATOM 518 C LEU A 31 -10.680 7.266 -13.007 1.00 0.00 C ATOM 519 O LEU A 31 -11.008 7.786 -11.946 1.00 0.00 O ATOM 520 CB LEU A 31 -8.489 6.217 -13.802 1.00 0.00 C ATOM 521 CG LEU A 31 -7.510 7.292 -13.296 1.00 0.00 C ATOM 522 CD1 LEU A 31 -7.963 8.731 -13.579 1.00 0.00 C ATOM 523 CD2 LEU A 31 -7.172 7.124 -11.810 1.00 0.00 C ATOM 0 H LEU A 31 -10.047 4.375 -14.240 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.482 5.853 -11.965 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.963 5.262 -13.826 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.759 6.459 -14.830 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.603 7.127 -13.878 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.220 9.429 -13.192 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.070 8.874 -14.654 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.921 8.913 -13.092 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.478 7.907 -11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.085 7.196 -11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.712 6.149 -11.649 1.00 0.00 H new ATOM 535 N THR A 32 -11.116 7.714 -14.184 1.00 0.00 N ATOM 536 CA THR A 32 -11.869 8.953 -14.296 1.00 0.00 C ATOM 537 C THR A 32 -13.161 8.889 -13.469 1.00 0.00 C ATOM 538 O THR A 32 -13.359 9.682 -12.548 1.00 0.00 O ATOM 539 CB THR A 32 -12.134 9.280 -15.774 1.00 0.00 C ATOM 540 OG1 THR A 32 -10.946 9.136 -16.527 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.617 10.725 -15.924 1.00 0.00 C ATOM 0 H THR A 32 -10.958 7.234 -15.070 1.00 0.00 H new ATOM 0 HA THR A 32 -11.275 9.768 -13.882 1.00 0.00 H new ATOM 0 HB THR A 32 -12.897 8.591 -16.137 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.822 8.194 -16.765 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.800 10.940 -16.977 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.540 10.860 -15.360 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.855 11.405 -15.542 1.00 0.00 H new ATOM 549 N SER A 33 -14.055 7.956 -13.801 1.00 0.00 N ATOM 550 CA SER A 33 -15.377 7.898 -13.206 1.00 0.00 C ATOM 551 C SER A 33 -15.305 7.586 -11.713 1.00 0.00 C ATOM 552 O SER A 33 -15.933 8.278 -10.914 1.00 0.00 O ATOM 553 CB SER A 33 -16.229 6.873 -13.960 1.00 0.00 C ATOM 554 OG SER A 33 -16.244 7.195 -15.338 1.00 0.00 O ATOM 0 H SER A 33 -13.877 7.224 -14.489 1.00 0.00 H new ATOM 0 HA SER A 33 -15.849 8.877 -13.294 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.826 5.871 -13.814 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.245 6.868 -13.566 1.00 0.00 H new ATOM 0 HG SER A 33 -15.428 6.857 -15.762 1.00 0.00 H new ATOM 560 N GLU A 34 -14.563 6.547 -11.322 1.00 0.00 N ATOM 561 CA GLU A 34 -14.547 6.126 -9.932 1.00 0.00 C ATOM 562 C GLU A 34 -13.825 7.178 -9.076 1.00 0.00 C ATOM 563 O GLU A 34 -14.304 7.517 -7.996 1.00 0.00 O ATOM 564 CB GLU A 34 -13.999 4.698 -9.777 1.00 0.00 C ATOM 565 CG GLU A 34 -14.442 4.049 -8.454 1.00 0.00 C ATOM 566 CD GLU A 34 -15.947 3.803 -8.385 1.00 0.00 C ATOM 567 OE1 GLU A 34 -16.380 2.792 -8.980 1.00 0.00 O ATOM 568 OE2 GLU A 34 -16.641 4.635 -7.763 1.00 0.00 O ATOM 0 H GLU A 34 -13.975 5.992 -11.944 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.569 6.069 -9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.340 4.087 -10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.910 4.721 -9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.918 3.101 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.146 4.690 -7.624 1.00 0.00 H new ATOM 575 N LYS A 35 -12.712 7.750 -9.561 1.00 0.00 N ATOM 576 CA LYS A 35 -12.085 8.871 -8.864 1.00 0.00 C ATOM 577 C LYS A 35 -13.087 10.018 -8.725 1.00 0.00 C ATOM 578 O LYS A 35 -13.227 10.575 -7.637 1.00 0.00 O ATOM 579 CB LYS A 35 -10.810 9.331 -9.581 1.00 0.00 C ATOM 580 CG LYS A 35 -10.007 10.352 -8.766 1.00 0.00 C ATOM 581 CD LYS A 35 -8.725 10.780 -9.502 1.00 0.00 C ATOM 582 CE LYS A 35 -8.973 11.623 -10.762 1.00 0.00 C ATOM 583 NZ LYS A 35 -9.613 12.914 -10.449 1.00 0.00 N ATOM 0 H LYS A 35 -12.239 7.458 -10.416 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.790 8.541 -7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.183 8.464 -9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.077 9.769 -10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.625 11.228 -8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.746 9.922 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.098 11.349 -8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.164 9.888 -9.780 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.025 11.802 -11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.604 11.064 -11.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.746 13.457 -11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.537 12.744 -10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.008 13.452 -9.797 1.00 0.00 H new ATOM 597 N SER A 36 -13.789 10.368 -9.808 1.00 0.00 N ATOM 598 CA SER A 36 -14.803 11.414 -9.765 1.00 0.00 C ATOM 599 C SER A 36 -15.830 11.129 -8.662 1.00 0.00 C ATOM 600 O SER A 36 -16.075 11.998 -7.826 1.00 0.00 O ATOM 601 CB SER A 36 -15.455 11.597 -11.143 1.00 0.00 C ATOM 602 OG SER A 36 -16.325 12.711 -11.140 1.00 0.00 O ATOM 0 H SER A 36 -13.669 9.938 -10.725 1.00 0.00 H new ATOM 0 HA SER A 36 -14.323 12.360 -9.514 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.683 11.734 -11.901 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.009 10.697 -11.411 1.00 0.00 H new ATOM 0 HG SER A 36 -16.730 12.813 -12.027 1.00 0.00 H new ATOM 608 N LYS A 37 -16.405 9.921 -8.624 1.00 0.00 N ATOM 609 CA LYS A 37 -17.312 9.509 -7.557 1.00 0.00 C ATOM 610 C LYS A 37 -16.674 9.716 -6.179 1.00 0.00 C ATOM 611 O LYS A 37 -17.253 10.405 -5.340 1.00 0.00 O ATOM 612 CB LYS A 37 -17.743 8.045 -7.739 1.00 0.00 C ATOM 613 CG LYS A 37 -18.671 7.806 -8.941 1.00 0.00 C ATOM 614 CD LYS A 37 -20.033 8.515 -8.864 1.00 0.00 C ATOM 615 CE LYS A 37 -20.805 8.171 -7.585 1.00 0.00 C ATOM 616 NZ LYS A 37 -22.176 8.713 -7.624 1.00 0.00 N ATOM 0 H LYS A 37 -16.252 9.205 -9.334 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.201 10.137 -7.615 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.852 7.427 -7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.248 7.711 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.159 8.133 -9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.842 6.734 -9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.881 9.593 -8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.632 8.238 -9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.843 7.089 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.277 8.573 -6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.673 8.464 -6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.138 9.748 -7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.686 8.310 -8.436 1.00 0.00 H new ATOM 630 N ILE A 38 -15.490 9.141 -5.943 1.00 0.00 N ATOM 631 CA ILE A 38 -14.793 9.253 -4.662 1.00 0.00 C ATOM 632 C ILE A 38 -14.669 10.724 -4.254 1.00 0.00 C ATOM 633 O ILE A 38 -15.091 11.109 -3.161 1.00 0.00 O ATOM 634 CB ILE A 38 -13.420 8.551 -4.735 1.00 0.00 C ATOM 635 CG1 ILE A 38 -13.617 7.029 -4.852 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.571 8.856 -3.489 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.369 6.296 -5.356 1.00 0.00 C ATOM 0 H ILE A 38 -14.990 8.585 -6.637 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.374 8.748 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.897 8.929 -5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.896 6.629 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.447 6.828 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.610 8.348 -3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.408 9.931 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.093 8.506 -2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.574 5.227 -5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.102 6.670 -6.344 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.542 6.469 -4.667 1.00 0.00 H new ATOM 649 N GLU A 39 -14.095 11.548 -5.133 1.00 0.00 N ATOM 650 CA GLU A 39 -13.903 12.971 -4.892 1.00 0.00 C ATOM 651 C GLU A 39 -15.237 13.651 -4.592 1.00 0.00 C ATOM 652 O GLU A 39 -15.345 14.387 -3.618 1.00 0.00 O ATOM 653 CB GLU A 39 -13.222 13.620 -6.101 1.00 0.00 C ATOM 654 CG GLU A 39 -11.757 13.182 -6.220 1.00 0.00 C ATOM 655 CD GLU A 39 -11.105 13.731 -7.487 1.00 0.00 C ATOM 656 OE1 GLU A 39 -11.734 13.588 -8.559 1.00 0.00 O ATOM 657 OE2 GLU A 39 -9.982 14.266 -7.369 1.00 0.00 O ATOM 0 H GLU A 39 -13.748 11.238 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.259 13.095 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.759 13.351 -7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.273 14.705 -6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.202 13.526 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.702 12.093 -6.225 1.00 0.00 H new ATOM 664 N THR A 40 -16.251 13.412 -5.423 1.00 0.00 N ATOM 665 CA THR A 40 -17.573 14.002 -5.262 1.00 0.00 C ATOM 666 C THR A 40 -18.137 13.672 -3.878 1.00 0.00 C ATOM 667 O THR A 40 -18.556 14.570 -3.147 1.00 0.00 O ATOM 668 CB THR A 40 -18.485 13.520 -6.400 1.00 0.00 C ATOM 669 OG1 THR A 40 -17.951 13.965 -7.627 1.00 0.00 O ATOM 670 CG2 THR A 40 -19.910 14.065 -6.297 1.00 0.00 C ATOM 0 H THR A 40 -16.174 12.797 -6.233 1.00 0.00 H new ATOM 0 HA THR A 40 -17.509 15.088 -5.323 1.00 0.00 H new ATOM 0 HB THR A 40 -18.530 12.433 -6.332 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.221 13.371 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.505 13.688 -7.129 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.356 13.741 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.886 15.154 -6.332 1.00 0.00 H new ATOM 678 N GLU A 41 -18.146 12.389 -3.515 1.00 0.00 N ATOM 679 CA GLU A 41 -18.622 11.925 -2.221 1.00 0.00 C ATOM 680 C GLU A 41 -17.861 12.627 -1.094 1.00 0.00 C ATOM 681 O GLU A 41 -18.469 13.255 -0.229 1.00 0.00 O ATOM 682 CB GLU A 41 -18.464 10.401 -2.151 1.00 0.00 C ATOM 683 CG GLU A 41 -19.482 9.702 -3.066 1.00 0.00 C ATOM 684 CD GLU A 41 -19.186 8.214 -3.231 1.00 0.00 C ATOM 685 OE1 GLU A 41 -18.532 7.655 -2.324 1.00 0.00 O ATOM 686 OE2 GLU A 41 -19.632 7.664 -4.260 1.00 0.00 O ATOM 0 H GLU A 41 -17.818 11.638 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.677 12.171 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.452 10.122 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.601 10.064 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.483 9.828 -2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.477 10.182 -4.045 1.00 0.00 H new ATOM 693 N LEU A 42 -16.530 12.525 -1.118 1.00 0.00 N ATOM 694 CA LEU A 42 -15.654 13.139 -0.129 1.00 0.00 C ATOM 695 C LEU A 42 -15.976 14.634 0.026 1.00 0.00 C ATOM 696 O LEU A 42 -16.234 15.112 1.129 1.00 0.00 O ATOM 697 CB LEU A 42 -14.198 12.886 -0.555 1.00 0.00 C ATOM 698 CG LEU A 42 -13.142 13.427 0.422 1.00 0.00 C ATOM 699 CD1 LEU A 42 -13.063 12.548 1.675 1.00 0.00 C ATOM 700 CD2 LEU A 42 -11.775 13.436 -0.269 1.00 0.00 C ATOM 0 H LEU A 42 -16.028 12.005 -1.837 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.810 12.695 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.049 11.813 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.035 13.339 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.424 14.437 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.310 12.948 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.032 12.538 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.791 11.532 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.022 13.819 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.511 12.421 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.818 14.074 -1.152 1.00 0.00 H new ATOM 712 N LYS A 43 -15.984 15.375 -1.083 1.00 0.00 N ATOM 713 CA LYS A 43 -16.238 16.806 -1.079 1.00 0.00 C ATOM 714 C LYS A 43 -17.657 17.135 -0.607 1.00 0.00 C ATOM 715 O LYS A 43 -17.847 18.141 0.076 1.00 0.00 O ATOM 716 CB LYS A 43 -15.955 17.398 -2.466 1.00 0.00 C ATOM 717 CG LYS A 43 -14.461 17.432 -2.824 1.00 0.00 C ATOM 718 CD LYS A 43 -13.575 18.247 -1.862 1.00 0.00 C ATOM 719 CE LYS A 43 -14.122 19.642 -1.527 1.00 0.00 C ATOM 720 NZ LYS A 43 -14.381 20.446 -2.735 1.00 0.00 N ATOM 0 H LYS A 43 -15.813 14.991 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.558 17.266 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.487 16.814 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.354 18.412 -2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.088 16.408 -2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.353 17.843 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.453 17.686 -0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.584 18.355 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.045 19.540 -0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.409 20.166 -0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.733 21.385 -2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.500 20.552 -3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.094 19.969 -3.323 1.00 0.00 H new ATOM 734 N ASN A 44 -18.665 16.330 -0.954 1.00 0.00 N ATOM 735 CA ASN A 44 -20.009 16.519 -0.407 1.00 0.00 C ATOM 736 C ASN A 44 -19.963 16.378 1.112 1.00 0.00 C ATOM 737 O ASN A 44 -20.448 17.247 1.834 1.00 0.00 O ATOM 738 CB ASN A 44 -21.017 15.526 -1.006 1.00 0.00 C ATOM 739 CG ASN A 44 -21.666 16.057 -2.280 1.00 0.00 C ATOM 740 OD1 ASN A 44 -22.787 16.553 -2.251 1.00 0.00 O ATOM 741 ND2 ASN A 44 -20.973 15.964 -3.409 1.00 0.00 N ATOM 0 H ASN A 44 -18.577 15.549 -1.604 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.347 17.520 -0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -20.511 14.585 -1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -21.791 15.309 -0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.371 16.310 -4.282 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.042 15.547 -3.403 1.00 0.00 H new ATOM 748 N LYS A 45 -19.369 15.283 1.593 1.00 0.00 N ATOM 749 CA LYS A 45 -19.267 14.987 3.015 1.00 0.00 C ATOM 750 C LYS A 45 -18.518 16.094 3.765 1.00 0.00 C ATOM 751 O LYS A 45 -18.907 16.443 4.877 1.00 0.00 O ATOM 752 CB LYS A 45 -18.615 13.613 3.203 1.00 0.00 C ATOM 753 CG LYS A 45 -19.565 12.503 2.732 1.00 0.00 C ATOM 754 CD LYS A 45 -18.799 11.189 2.550 1.00 0.00 C ATOM 755 CE LYS A 45 -19.747 10.010 2.298 1.00 0.00 C ATOM 756 NZ LYS A 45 -20.606 10.230 1.121 1.00 0.00 N ATOM 0 H LYS A 45 -18.943 14.574 0.997 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.267 14.953 3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.682 13.566 2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.362 13.463 4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.366 12.367 3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.034 12.792 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.106 11.284 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.200 10.991 3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.163 9.101 2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.371 9.853 3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.974 9.317 0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.401 10.848 1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.051 10.680 0.365 1.00 0.00 H new ATOM 770 N MET A 46 -17.460 16.654 3.171 1.00 0.00 N ATOM 771 CA MET A 46 -16.758 17.796 3.740 1.00 0.00 C ATOM 772 C MET A 46 -17.642 19.049 3.749 1.00 0.00 C ATOM 773 O MET A 46 -17.883 19.639 4.800 1.00 0.00 O ATOM 774 CB MET A 46 -15.471 18.075 2.949 1.00 0.00 C ATOM 775 CG MET A 46 -14.368 17.054 3.239 1.00 0.00 C ATOM 776 SD MET A 46 -12.842 17.353 2.309 1.00 0.00 S ATOM 777 CE MET A 46 -11.775 16.101 3.049 1.00 0.00 C ATOM 0 H MET A 46 -17.072 16.326 2.287 1.00 0.00 H new ATOM 0 HA MET A 46 -16.505 17.550 4.771 1.00 0.00 H new ATOM 0 HB2 MET A 46 -15.696 18.068 1.882 1.00 0.00 H new ATOM 0 HB3 MET A 46 -15.109 19.074 3.192 1.00 0.00 H new ATOM 0 HG2 MET A 46 -14.143 17.068 4.305 1.00 0.00 H new ATOM 0 HG3 MET A 46 -14.737 16.056 3.004 1.00 0.00 H new ATOM 0 HE1 MET A 46 -10.892 15.961 2.425 1.00 0.00 H new ATOM 0 HE2 MET A 46 -11.469 16.426 4.043 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.318 15.159 3.126 1.00 0.00 H new ATOM 787 N GLN A 47 -18.082 19.489 2.567 1.00 0.00 N ATOM 788 CA GLN A 47 -18.739 20.779 2.392 1.00 0.00 C ATOM 789 C GLN A 47 -20.111 20.828 3.065 1.00 0.00 C ATOM 790 O GLN A 47 -20.414 21.791 3.767 1.00 0.00 O ATOM 791 CB GLN A 47 -18.863 21.102 0.899 1.00 0.00 C ATOM 792 CG GLN A 47 -17.484 21.298 0.246 1.00 0.00 C ATOM 793 CD GLN A 47 -17.573 21.290 -1.276 1.00 0.00 C ATOM 794 OE1 GLN A 47 -17.162 22.233 -1.943 1.00 0.00 O ATOM 795 NE2 GLN A 47 -18.097 20.207 -1.838 1.00 0.00 N ATOM 0 H GLN A 47 -17.990 18.955 1.703 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.119 21.533 2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -19.394 20.295 0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -19.459 22.005 0.770 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -17.054 22.242 0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.810 20.507 0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.430 19.440 -1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.167 20.142 -2.854 1.00 0.00 H new ATOM 804 N GLN A 48 -20.955 19.824 2.819 1.00 0.00 N ATOM 805 CA GLN A 48 -22.335 19.789 3.286 1.00 0.00 C ATOM 806 C GLN A 48 -23.044 21.116 2.963 1.00 0.00 C ATOM 807 O GLN A 48 -22.872 21.664 1.873 1.00 0.00 O ATOM 808 CB GLN A 48 -22.378 19.417 4.778 1.00 0.00 C ATOM 809 CG GLN A 48 -21.510 18.189 5.077 1.00 0.00 C ATOM 810 CD GLN A 48 -21.641 17.716 6.522 1.00 0.00 C ATOM 811 OE1 GLN A 48 -22.554 18.107 7.242 1.00 0.00 O ATOM 812 NE2 GLN A 48 -20.718 16.872 6.966 1.00 0.00 N ATOM 0 H GLN A 48 -20.690 19.000 2.280 1.00 0.00 H new ATOM 0 HA GLN A 48 -22.887 19.013 2.756 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.033 20.262 5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -23.408 19.217 5.074 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -21.792 17.377 4.406 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -20.467 18.427 4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -19.969 16.563 6.346 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -20.757 16.533 7.927 1.00 0.00 H new ATOM 821 N LYS A 49 -23.821 21.663 3.906 1.00 0.00 N ATOM 822 CA LYS A 49 -24.440 22.968 3.740 1.00 0.00 C ATOM 823 C LYS A 49 -23.369 24.059 3.868 1.00 0.00 C ATOM 824 O LYS A 49 -23.270 24.716 4.905 1.00 0.00 O ATOM 825 CB LYS A 49 -25.579 23.145 4.757 1.00 0.00 C ATOM 826 CG LYS A 49 -26.470 24.340 4.375 1.00 0.00 C ATOM 827 CD LYS A 49 -27.293 24.861 5.561 1.00 0.00 C ATOM 828 CE LYS A 49 -26.617 26.061 6.243 1.00 0.00 C ATOM 829 NZ LYS A 49 -25.269 25.738 6.738 1.00 0.00 N ATOM 0 H LYS A 49 -24.032 21.212 4.796 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.882 23.050 2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -26.180 22.236 4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -25.163 23.299 5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -25.846 25.146 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -27.144 24.044 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -28.285 25.151 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -27.430 24.060 6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -26.553 26.889 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -27.235 26.399 7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -24.841 26.587 7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -25.333 24.990 7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -24.679 25.409 5.948 1.00 0.00 H new ATOM 843 N SER A 50 -22.582 24.255 2.808 1.00 0.00 N ATOM 844 CA SER A 50 -21.627 25.351 2.668 1.00 0.00 C ATOM 845 C SER A 50 -20.771 25.523 3.926 1.00 0.00 C ATOM 846 O SER A 50 -20.792 26.579 4.554 1.00 0.00 O ATOM 847 CB SER A 50 -22.373 26.644 2.320 1.00 0.00 C ATOM 848 OG SER A 50 -23.202 26.437 1.193 1.00 0.00 O ATOM 0 H SER A 50 -22.594 23.634 1.999 1.00 0.00 H new ATOM 0 HA SER A 50 -20.942 25.109 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 50 -22.975 26.966 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 50 -21.659 27.441 2.115 1.00 0.00 H new ATOM 0 HG SER A 50 -23.676 27.267 0.979 1.00 0.00 H new ATOM 854 N GLN A 51 -20.048 24.461 4.292 1.00 0.00 N ATOM 855 CA GLN A 51 -19.253 24.311 5.503 1.00 0.00 C ATOM 856 C GLN A 51 -19.876 24.955 6.749 1.00 0.00 C ATOM 857 O GLN A 51 -19.166 25.499 7.595 1.00 0.00 O ATOM 858 CB GLN A 51 -17.765 24.638 5.261 1.00 0.00 C ATOM 859 CG GLN A 51 -17.373 26.120 5.140 1.00 0.00 C ATOM 860 CD GLN A 51 -17.478 26.702 3.736 1.00 0.00 C ATOM 861 OE1 GLN A 51 -16.610 26.475 2.900 1.00 0.00 O ATOM 862 NE2 GLN A 51 -18.497 27.513 3.482 1.00 0.00 N ATOM 0 H GLN A 51 -20.003 23.628 3.705 1.00 0.00 H new ATOM 0 HA GLN A 51 -19.271 23.251 5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -17.188 24.203 6.077 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -17.454 24.132 4.347 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -18.007 26.704 5.807 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -16.348 26.239 5.490 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -19.204 27.683 4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.573 27.967 2.572 1.00 0.00 H new ATOM 871 N LYS A 52 -21.203 24.844 6.889 1.00 0.00 N ATOM 872 CA LYS A 52 -21.986 25.357 8.001 1.00 0.00 C ATOM 873 C LYS A 52 -22.048 26.887 7.943 1.00 0.00 C ATOM 874 O LYS A 52 -23.111 27.442 7.667 1.00 0.00 O ATOM 875 CB LYS A 52 -21.531 24.811 9.369 1.00 0.00 C ATOM 876 CG LYS A 52 -21.755 23.299 9.550 1.00 0.00 C ATOM 877 CD LYS A 52 -20.817 22.415 8.711 1.00 0.00 C ATOM 878 CE LYS A 52 -20.855 20.950 9.163 1.00 0.00 C ATOM 879 NZ LYS A 52 -22.198 20.362 9.010 1.00 0.00 N ATOM 0 H LYS A 52 -21.779 24.371 6.193 1.00 0.00 H new ATOM 0 HA LYS A 52 -23.004 24.983 7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -20.471 25.028 9.500 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -22.065 25.343 10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.626 23.048 10.603 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.787 23.063 9.290 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.102 22.478 7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.797 22.792 8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -20.137 20.372 8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -20.546 20.884 10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -22.553 20.061 9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -22.843 21.070 8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -22.147 19.539 8.376 1.00 0.00 H new ATOM 893 N LYS A 53 -20.923 27.568 8.182 1.00 0.00 N ATOM 894 CA LYS A 53 -20.820 29.006 7.961 1.00 0.00 C ATOM 895 C LYS A 53 -20.553 29.233 6.462 1.00 0.00 C ATOM 896 O LYS A 53 -19.592 28.676 5.930 1.00 0.00 O ATOM 897 CB LYS A 53 -19.797 29.680 8.902 1.00 0.00 C ATOM 898 CG LYS A 53 -18.740 28.783 9.565 1.00 0.00 C ATOM 899 CD LYS A 53 -17.653 28.352 8.574 1.00 0.00 C ATOM 900 CE LYS A 53 -16.632 27.395 9.198 1.00 0.00 C ATOM 901 NZ LYS A 53 -17.253 26.122 9.604 1.00 0.00 N ATOM 0 H LYS A 53 -20.067 27.138 8.531 1.00 0.00 H new ATOM 0 HA LYS A 53 -21.757 29.498 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -19.275 30.450 8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -20.351 30.187 9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -18.281 29.317 10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -19.223 27.899 9.981 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -18.120 27.870 7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.136 29.236 8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.834 27.198 8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.173 27.869 10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.523 25.384 9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.708 26.238 10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.967 25.844 8.901 1.00 0.00 H new ATOM 915 N PRO A 54 -21.385 30.019 5.755 1.00 0.00 N ATOM 916 CA PRO A 54 -21.353 30.118 4.302 1.00 0.00 C ATOM 917 C PRO A 54 -20.176 30.944 3.764 1.00 0.00 C ATOM 918 O PRO A 54 -20.365 31.967 3.109 1.00 0.00 O ATOM 919 CB PRO A 54 -22.721 30.694 3.914 1.00 0.00 C ATOM 920 CG PRO A 54 -23.057 31.584 5.109 1.00 0.00 C ATOM 921 CD PRO A 54 -22.518 30.766 6.282 1.00 0.00 C ATOM 0 HA PRO A 54 -21.183 29.142 3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -22.673 31.263 2.985 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -23.465 29.911 3.770 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -22.576 32.560 5.038 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -24.129 31.762 5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -22.212 31.414 7.103 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -23.281 30.094 6.674 1.00 0.00 H new ATOM 929 N GLU A 55 -18.948 30.482 4.000 1.00 0.00 N ATOM 930 CA GLU A 55 -17.765 31.033 3.361 1.00 0.00 C ATOM 931 C GLU A 55 -17.830 30.672 1.876 1.00 0.00 C ATOM 932 O GLU A 55 -18.208 29.547 1.537 1.00 0.00 O ATOM 933 CB GLU A 55 -16.499 30.448 4.002 1.00 0.00 C ATOM 934 CG GLU A 55 -16.415 30.742 5.504 1.00 0.00 C ATOM 935 CD GLU A 55 -15.186 30.076 6.113 1.00 0.00 C ATOM 936 OE1 GLU A 55 -15.253 28.843 6.311 1.00 0.00 O ATOM 937 OE2 GLU A 55 -14.205 30.808 6.364 1.00 0.00 O ATOM 0 H GLU A 55 -18.751 29.714 4.642 1.00 0.00 H new ATOM 0 HA GLU A 55 -17.730 32.115 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.480 29.370 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.620 30.858 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.370 31.819 5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.315 30.381 6.002 1.00 0.00 H new TER 944 GLU A 55