USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 512 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 60 ASN : amide:sc= 2.4 K(o=3,f=-8.6!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 167:sc= 0.568 (180deg=-0.247) USER MOD Set 2.1: A 33 GLN : amide:sc= 1.76 K(o=3,f=-2.6!) USER MOD Set 2.2: A 67 SER OG : rot 72:sc= 1.2 USER MOD Set 3.1: A 24 MET CE :methyl 173:sc= -0.0227 (180deg=-0.117) USER MOD Set 3.2: A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0476) USER MOD Set 4.1: A 15 GLN : amide:sc= 0.656 K(o=1.2,f=-3.5) USER MOD Set 4.2: A 19 GLN : amide:sc= 0.535 K(o=1.2,f=-2.7!) USER MOD Set 5.1: A 8 GLN : amide:sc= 0.716 K(o=0.73,f=0.18) USER MOD Set 5.2: A 12 CYS SG : rot 180:sc= 0.0132 USER MOD Single : A 1 MET CE :methyl -142:sc= 0 (180deg=-0.00811) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.174 (180deg=-0.105) USER MOD Single : A 3 GLN : amide:sc= 1.39 K(o=1.4,f=-3.8!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.7) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.17 K(o=1.2,f=-0.078) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.038 USER MOD Single : A 29 GLN : amide:sc= 0.649 K(o=0.65,f=-3.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.765 K(o=0.77,f=-0.051) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 101:sc= 1.14 USER MOD Single : A 51 SER OG : rot 89:sc= 1.21 USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= 0.781 (180deg=0.766) USER MOD Single : A 62 THR OG1 : rot -48:sc= 1.03 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.00574 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.202 20.923 2.956 1.00 0.00 N ATOM 2 CA MET A 1 7.377 20.220 3.445 1.00 0.00 C ATOM 3 C MET A 1 8.134 19.611 2.252 1.00 0.00 C ATOM 4 O MET A 1 7.526 19.425 1.193 1.00 0.00 O ATOM 5 CB MET A 1 6.934 19.127 4.437 1.00 0.00 C ATOM 6 CG MET A 1 6.508 19.712 5.789 1.00 0.00 C ATOM 7 SD MET A 1 7.840 20.483 6.755 1.00 0.00 S ATOM 8 CE MET A 1 8.729 19.014 7.337 1.00 0.00 C ATOM 0 H1 MET A 1 6.315 21.944 3.120 1.00 0.00 H new ATOM 0 H2 MET A 1 6.091 20.746 1.937 1.00 0.00 H new ATOM 0 H3 MET A 1 5.359 20.582 3.461 1.00 0.00 H new ATOM 0 HA MET A 1 8.045 20.908 3.963 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.105 18.564 4.009 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.752 18.423 4.589 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.730 20.455 5.616 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.062 18.917 6.386 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.071 19.177 8.359 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.063 18.151 7.310 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.588 18.829 6.692 1.00 0.00 H new ATOM 20 N PRO A 2 9.428 19.265 2.397 1.00 0.00 N ATOM 21 CA PRO A 2 10.195 18.575 1.363 1.00 0.00 C ATOM 22 C PRO A 2 9.442 17.353 0.832 1.00 0.00 C ATOM 23 O PRO A 2 8.970 16.534 1.626 1.00 0.00 O ATOM 24 CB PRO A 2 11.523 18.186 2.021 1.00 0.00 C ATOM 25 CG PRO A 2 11.702 19.255 3.096 1.00 0.00 C ATOM 26 CD PRO A 2 10.270 19.509 3.562 1.00 0.00 C ATOM 0 HA PRO A 2 10.360 19.212 0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.482 17.185 2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.345 18.192 1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.337 18.907 3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.163 20.158 2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.002 18.846 4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.151 20.530 3.924 1.00 0.00 H new ATOM 34 N GLN A 3 9.306 17.253 -0.496 1.00 0.00 N ATOM 35 CA GLN A 3 8.618 16.179 -1.208 1.00 0.00 C ATOM 36 C GLN A 3 9.415 14.867 -1.129 1.00 0.00 C ATOM 37 O GLN A 3 9.999 14.400 -2.106 1.00 0.00 O ATOM 38 CB GLN A 3 8.326 16.611 -2.659 1.00 0.00 C ATOM 39 CG GLN A 3 7.111 17.550 -2.779 1.00 0.00 C ATOM 40 CD GLN A 3 5.764 16.849 -2.556 1.00 0.00 C ATOM 41 OE1 GLN A 3 4.957 17.275 -1.734 1.00 0.00 O ATOM 42 NE2 GLN A 3 5.496 15.771 -3.282 1.00 0.00 N ATOM 0 H GLN A 3 9.692 17.953 -1.129 1.00 0.00 H new ATOM 0 HA GLN A 3 7.660 15.985 -0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.205 17.111 -3.066 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.153 15.724 -3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.214 18.358 -2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.113 18.007 -3.768 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.177 15.431 -3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.609 15.283 -3.162 1.00 0.00 H new ATOM 51 N LYS A 4 9.445 14.296 0.074 1.00 0.00 N ATOM 52 CA LYS A 4 9.909 12.957 0.389 1.00 0.00 C ATOM 53 C LYS A 4 8.895 11.927 -0.133 1.00 0.00 C ATOM 54 O LYS A 4 7.963 12.266 -0.862 1.00 0.00 O ATOM 55 CB LYS A 4 10.154 12.876 1.909 1.00 0.00 C ATOM 56 CG LYS A 4 8.868 12.999 2.751 1.00 0.00 C ATOM 57 CD LYS A 4 9.144 13.287 4.232 1.00 0.00 C ATOM 58 CE LYS A 4 9.661 14.717 4.435 1.00 0.00 C ATOM 59 NZ LYS A 4 9.865 15.022 5.862 1.00 0.00 N ATOM 0 H LYS A 4 9.124 14.793 0.905 1.00 0.00 H new ATOM 0 HA LYS A 4 10.853 12.727 -0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.640 11.928 2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.845 13.667 2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.248 13.796 2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.296 12.075 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.231 13.143 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.877 12.576 4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.600 14.845 3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.951 15.425 4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.215 15.996 5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.963 14.924 6.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.562 14.361 6.262 1.00 0.00 H new ATOM 73 N ASP A 5 9.054 10.656 0.240 1.00 0.00 N ATOM 74 CA ASP A 5 8.042 9.639 0.009 1.00 0.00 C ATOM 75 C ASP A 5 7.962 8.730 1.244 1.00 0.00 C ATOM 76 O ASP A 5 8.662 7.718 1.288 1.00 0.00 O ATOM 77 CB ASP A 5 8.286 8.893 -1.312 1.00 0.00 C ATOM 78 CG ASP A 5 7.053 8.088 -1.725 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.360 7.538 -0.837 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.750 8.066 -2.936 1.00 0.00 O ATOM 0 H ASP A 5 9.890 10.309 0.710 1.00 0.00 H new ATOM 0 HA ASP A 5 7.062 10.100 -0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.537 9.608 -2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.141 8.225 -1.204 1.00 0.00 H new ATOM 85 N PRO A 6 7.135 9.065 2.258 1.00 0.00 N ATOM 86 CA PRO A 6 7.048 8.328 3.526 1.00 0.00 C ATOM 87 C PRO A 6 6.702 6.849 3.333 1.00 0.00 C ATOM 88 O PRO A 6 7.081 5.982 4.121 1.00 0.00 O ATOM 89 CB PRO A 6 5.922 9.002 4.316 1.00 0.00 C ATOM 90 CG PRO A 6 5.786 10.384 3.689 1.00 0.00 C ATOM 91 CD PRO A 6 6.123 10.108 2.231 1.00 0.00 C ATOM 0 HA PRO A 6 8.013 8.354 4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.992 8.439 4.239 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.167 9.070 5.376 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.780 10.787 3.805 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.471 11.104 4.136 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.241 9.785 1.679 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.497 11.005 1.738 1.00 0.00 H new ATOM 99 N CYS A 7 5.936 6.582 2.276 1.00 0.00 N ATOM 100 CA CYS A 7 5.311 5.318 2.000 1.00 0.00 C ATOM 101 C CYS A 7 6.140 4.431 1.081 1.00 0.00 C ATOM 102 O CYS A 7 5.840 3.246 0.950 1.00 0.00 O ATOM 103 CB CYS A 7 3.928 5.610 1.421 1.00 0.00 C ATOM 104 SG CYS A 7 2.704 6.141 2.660 1.00 0.00 S ATOM 0 H CYS A 7 5.734 7.284 1.564 1.00 0.00 H new ATOM 0 HA CYS A 7 5.224 4.747 2.924 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.020 6.385 0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.558 4.715 0.920 1.00 0.00 H new ATOM 106 N GLN A 8 7.202 4.963 0.472 1.00 0.00 N ATOM 107 CA GLN A 8 8.044 4.209 -0.432 1.00 0.00 C ATOM 108 C GLN A 8 8.739 3.044 0.294 1.00 0.00 C ATOM 109 O GLN A 8 9.036 2.025 -0.332 1.00 0.00 O ATOM 110 CB GLN A 8 8.974 5.217 -1.112 1.00 0.00 C ATOM 111 CG GLN A 8 10.115 4.606 -1.910 1.00 0.00 C ATOM 112 CD GLN A 8 9.652 3.827 -3.140 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.417 4.400 -4.195 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.510 2.514 -3.030 1.00 0.00 N ATOM 0 H GLN A 8 7.495 5.932 0.598 1.00 0.00 H new ATOM 0 HA GLN A 8 7.473 3.704 -1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.381 5.844 -1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.395 5.872 -0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.792 5.400 -2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.685 3.940 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.710 2.052 -2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.201 1.966 -3.832 1.00 0.00 H new ATOM 123 N LYS A 9 8.922 3.140 1.617 1.00 0.00 N ATOM 124 CA LYS A 9 9.356 2.020 2.441 1.00 0.00 C ATOM 125 C LYS A 9 8.342 0.883 2.351 1.00 0.00 C ATOM 126 O LYS A 9 8.690 -0.245 2.014 1.00 0.00 O ATOM 127 CB LYS A 9 9.532 2.493 3.892 1.00 0.00 C ATOM 128 CG LYS A 9 10.021 1.397 4.859 1.00 0.00 C ATOM 129 CD LYS A 9 11.314 0.675 4.448 1.00 0.00 C ATOM 130 CE LYS A 9 12.484 1.648 4.282 1.00 0.00 C ATOM 131 NZ LYS A 9 13.728 0.938 3.933 1.00 0.00 N ATOM 0 H LYS A 9 8.771 4.002 2.141 1.00 0.00 H new ATOM 0 HA LYS A 9 10.314 1.645 2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.242 3.320 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.580 2.882 4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.173 1.846 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.230 0.654 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.567 -0.072 5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.150 0.142 3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.248 2.375 3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.629 2.206 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.502 1.625 3.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.965 0.262 4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.596 0.425 3.038 1.00 0.00 H new ATOM 145 N GLN A 10 7.078 1.192 2.626 1.00 0.00 N ATOM 146 CA GLN A 10 5.995 0.220 2.630 1.00 0.00 C ATOM 147 C GLN A 10 5.822 -0.380 1.226 1.00 0.00 C ATOM 148 O GLN A 10 5.661 -1.590 1.112 1.00 0.00 O ATOM 149 CB GLN A 10 4.707 0.846 3.196 1.00 0.00 C ATOM 150 CG GLN A 10 4.734 1.037 4.726 1.00 0.00 C ATOM 151 CD GLN A 10 5.832 1.984 5.214 1.00 0.00 C ATOM 152 OE1 GLN A 10 6.821 1.555 5.793 1.00 0.00 O ATOM 153 NE2 GLN A 10 5.705 3.276 4.946 1.00 0.00 N ATOM 0 H GLN A 10 6.776 2.139 2.855 1.00 0.00 H new ATOM 0 HA GLN A 10 6.243 -0.608 3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.544 1.813 2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.859 0.214 2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.767 1.420 5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.868 0.065 5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.874 3.617 4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.438 3.929 5.223 1.00 0.00 H new ATOM 162 N ALA A 11 5.941 0.427 0.159 1.00 0.00 N ATOM 163 CA ALA A 11 6.012 -0.023 -1.230 1.00 0.00 C ATOM 164 C ALA A 11 7.115 -1.053 -1.450 1.00 0.00 C ATOM 165 O ALA A 11 6.876 -2.082 -2.080 1.00 0.00 O ATOM 166 CB ALA A 11 6.227 1.164 -2.169 1.00 0.00 C ATOM 0 H ALA A 11 5.992 1.442 0.248 1.00 0.00 H new ATOM 0 HA ALA A 11 5.059 -0.501 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.277 0.809 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.398 1.864 -2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.160 1.667 -1.913 1.00 0.00 H new ATOM 172 N CYS A 12 8.310 -0.796 -0.915 1.00 0.00 N ATOM 173 CA CYS A 12 9.388 -1.775 -0.963 1.00 0.00 C ATOM 174 C CYS A 12 8.961 -3.088 -0.295 1.00 0.00 C ATOM 175 O CYS A 12 9.203 -4.163 -0.846 1.00 0.00 O ATOM 176 CB CYS A 12 10.672 -1.223 -0.336 1.00 0.00 C ATOM 177 SG CYS A 12 11.407 0.025 -1.428 1.00 0.00 S ATOM 0 H CYS A 12 8.551 0.078 -0.447 1.00 0.00 H new ATOM 0 HA CYS A 12 9.603 -1.985 -2.011 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.452 -0.783 0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.381 -2.033 -0.166 1.00 0.00 H new ATOM 0 HG CYS A 12 12.494 0.489 -0.887 1.00 0.00 H new ATOM 182 N GLU A 13 8.283 -3.015 0.857 1.00 0.00 N ATOM 183 CA GLU A 13 7.802 -4.205 1.546 1.00 0.00 C ATOM 184 C GLU A 13 6.741 -4.962 0.746 1.00 0.00 C ATOM 185 O GLU A 13 6.610 -6.161 0.968 1.00 0.00 O ATOM 186 CB GLU A 13 7.249 -3.903 2.948 1.00 0.00 C ATOM 187 CG GLU A 13 8.195 -3.132 3.872 1.00 0.00 C ATOM 188 CD GLU A 13 9.614 -3.706 3.904 1.00 0.00 C ATOM 189 OE1 GLU A 13 9.737 -4.909 4.226 1.00 0.00 O ATOM 190 OE2 GLU A 13 10.551 -2.942 3.586 1.00 0.00 O ATOM 0 H GLU A 13 8.058 -2.139 1.328 1.00 0.00 H new ATOM 0 HA GLU A 13 8.684 -4.837 1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.326 -3.332 2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.987 -4.846 3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.239 -2.092 3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.787 -3.135 4.883 1.00 0.00 H new ATOM 197 N ILE A 14 6.021 -4.334 -0.195 1.00 0.00 N ATOM 198 CA ILE A 14 5.113 -5.051 -1.080 1.00 0.00 C ATOM 199 C ILE A 14 5.902 -6.085 -1.864 1.00 0.00 C ATOM 200 O ILE A 14 5.550 -7.266 -1.873 1.00 0.00 O ATOM 201 CB ILE A 14 4.379 -4.115 -2.047 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.683 -2.933 -1.379 1.00 0.00 C ATOM 203 CG2 ILE A 14 3.384 -4.895 -2.913 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.524 -3.272 -0.467 1.00 0.00 C ATOM 0 H ILE A 14 6.056 -3.328 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 14 4.354 -5.533 -0.464 1.00 0.00 H new ATOM 0 HB ILE A 14 5.160 -3.685 -2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.424 -2.380 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.321 -2.262 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.876 -4.209 -3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.918 -5.648 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.649 -5.383 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.109 -2.355 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.754 -3.793 -1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.873 -3.913 0.343 1.00 0.00 H new ATOM 216 N GLN A 15 6.973 -5.620 -2.513 1.00 0.00 N ATOM 217 CA GLN A 15 7.854 -6.469 -3.277 1.00 0.00 C ATOM 218 C GLN A 15 8.418 -7.544 -2.367 1.00 0.00 C ATOM 219 O GLN A 15 8.249 -8.724 -2.653 1.00 0.00 O ATOM 220 CB GLN A 15 8.954 -5.657 -3.983 1.00 0.00 C ATOM 221 CG GLN A 15 8.469 -5.067 -5.317 1.00 0.00 C ATOM 222 CD GLN A 15 8.105 -6.136 -6.357 1.00 0.00 C ATOM 223 OE1 GLN A 15 8.405 -7.318 -6.208 1.00 0.00 O ATOM 224 NE2 GLN A 15 7.435 -5.743 -7.431 1.00 0.00 N ATOM 0 H GLN A 15 7.244 -4.637 -2.515 1.00 0.00 H new ATOM 0 HA GLN A 15 7.289 -6.953 -4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.285 -4.850 -3.329 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.818 -6.297 -4.163 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.598 -4.438 -5.133 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.247 -4.423 -5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.190 -4.760 -7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.165 -6.424 -8.141 1.00 0.00 H new ATOM 233 N LYS A 16 9.030 -7.179 -1.239 1.00 0.00 N ATOM 234 CA LYS A 16 9.698 -8.204 -0.447 1.00 0.00 C ATOM 235 C LYS A 16 8.697 -9.171 0.177 1.00 0.00 C ATOM 236 O LYS A 16 9.024 -10.347 0.308 1.00 0.00 O ATOM 237 CB LYS A 16 10.579 -7.595 0.653 1.00 0.00 C ATOM 238 CG LYS A 16 11.538 -6.470 0.231 1.00 0.00 C ATOM 239 CD LYS A 16 12.259 -6.710 -1.103 1.00 0.00 C ATOM 240 CE LYS A 16 13.180 -5.529 -1.401 1.00 0.00 C ATOM 241 NZ LYS A 16 13.850 -5.691 -2.704 1.00 0.00 N ATOM 0 H LYS A 16 9.076 -6.229 -0.869 1.00 0.00 H new ATOM 0 HA LYS A 16 10.338 -8.755 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.926 -7.209 1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.170 -8.396 1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.976 -5.538 0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.285 -6.335 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.837 -7.633 -1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.532 -6.830 -1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.603 -4.605 -1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.928 -5.440 -0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.469 -4.874 -2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.419 -6.561 -2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.135 -5.752 -3.457 1.00 0.00 H new ATOM 255 N CYS A 17 7.477 -8.721 0.505 1.00 0.00 N ATOM 256 CA CYS A 17 6.398 -9.621 0.875 1.00 0.00 C ATOM 257 C CYS A 17 6.181 -10.609 -0.260 1.00 0.00 C ATOM 258 O CYS A 17 6.108 -11.808 -0.011 1.00 0.00 O ATOM 259 CB CYS A 17 5.102 -8.856 1.152 1.00 0.00 C ATOM 260 SG CYS A 17 3.631 -9.901 1.379 1.00 0.00 S ATOM 0 H CYS A 17 7.222 -7.734 0.519 1.00 0.00 H new ATOM 0 HA CYS A 17 6.674 -10.145 1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.240 -8.248 2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.918 -8.170 0.325 1.00 0.00 H new ATOM 262 N LEU A 18 6.078 -10.115 -1.496 1.00 0.00 N ATOM 263 CA LEU A 18 5.884 -10.944 -2.668 1.00 0.00 C ATOM 264 C LEU A 18 7.017 -11.960 -2.799 1.00 0.00 C ATOM 265 O LEU A 18 6.740 -13.139 -3.004 1.00 0.00 O ATOM 266 CB LEU A 18 5.727 -10.065 -3.930 1.00 0.00 C ATOM 267 CG LEU A 18 4.318 -10.207 -4.526 1.00 0.00 C ATOM 268 CD1 LEU A 18 3.399 -9.117 -3.967 1.00 0.00 C ATOM 269 CD2 LEU A 18 4.340 -10.054 -6.054 1.00 0.00 C ATOM 0 H LEU A 18 6.129 -9.118 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 18 4.960 -11.512 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.916 -9.022 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.471 -10.352 -4.673 1.00 0.00 H new ATOM 0 HG LEU A 18 3.954 -11.200 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.403 -9.226 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.340 -9.212 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.799 -8.136 -4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.328 -10.160 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.729 -9.070 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.979 -10.824 -6.488 1.00 0.00 H new ATOM 281 N GLN A 19 8.275 -11.534 -2.653 1.00 0.00 N ATOM 282 CA GLN A 19 9.433 -12.420 -2.631 1.00 0.00 C ATOM 283 C GLN A 19 9.305 -13.472 -1.527 1.00 0.00 C ATOM 284 O GLN A 19 9.478 -14.658 -1.802 1.00 0.00 O ATOM 285 CB GLN A 19 10.743 -11.613 -2.564 1.00 0.00 C ATOM 286 CG GLN A 19 11.188 -10.980 -3.902 1.00 0.00 C ATOM 287 CD GLN A 19 10.541 -9.639 -4.289 1.00 0.00 C ATOM 288 OE1 GLN A 19 11.062 -8.593 -3.917 1.00 0.00 O ATOM 289 NE2 GLN A 19 9.453 -9.617 -5.063 1.00 0.00 N ATOM 0 H GLN A 19 8.517 -10.549 -2.546 1.00 0.00 H new ATOM 0 HA GLN A 19 9.467 -12.975 -3.568 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.627 -10.820 -1.825 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.538 -12.268 -2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.268 -10.837 -3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.987 -11.696 -4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.026 -10.492 -5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.049 -8.725 -5.349 1.00 0.00 H new ATOM 298 N ALA A 20 8.914 -13.068 -0.318 1.00 0.00 N ATOM 299 CA ALA A 20 8.653 -13.968 0.797 1.00 0.00 C ATOM 300 C ALA A 20 7.444 -14.894 0.569 1.00 0.00 C ATOM 301 O ALA A 20 7.276 -15.845 1.328 1.00 0.00 O ATOM 302 CB ALA A 20 8.475 -13.139 2.076 1.00 0.00 C ATOM 0 H ALA A 20 8.768 -12.086 -0.086 1.00 0.00 H new ATOM 0 HA ALA A 20 9.513 -14.631 0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.279 -13.805 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.383 -12.568 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.636 -12.454 1.952 1.00 0.00 H new ATOM 308 N ASN A 21 6.610 -14.645 -0.451 1.00 0.00 N ATOM 309 CA ASN A 21 5.352 -15.347 -0.686 1.00 0.00 C ATOM 310 C ASN A 21 5.284 -15.970 -2.083 1.00 0.00 C ATOM 311 O ASN A 21 4.225 -16.466 -2.459 1.00 0.00 O ATOM 312 CB ASN A 21 4.179 -14.400 -0.401 1.00 0.00 C ATOM 313 CG ASN A 21 3.967 -14.260 1.103 1.00 0.00 C ATOM 314 OD1 ASN A 21 3.331 -15.096 1.730 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.515 -13.223 1.712 1.00 0.00 N ATOM 0 H ASN A 21 6.803 -13.929 -1.151 1.00 0.00 H new ATOM 0 HA ASN A 21 5.288 -16.189 0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.377 -13.422 -0.840 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.272 -14.782 -0.869 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.411 -13.110 2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.042 -12.535 1.174 1.00 0.00 H new ATOM 322 N SER A 22 6.384 -15.977 -2.857 1.00 0.00 N ATOM 323 CA SER A 22 6.430 -16.557 -4.202 1.00 0.00 C ATOM 324 C SER A 22 5.402 -15.893 -5.118 1.00 0.00 C ATOM 325 O SER A 22 4.729 -16.531 -5.925 1.00 0.00 O ATOM 326 CB SER A 22 6.271 -18.076 -4.167 1.00 0.00 C ATOM 327 OG SER A 22 7.188 -18.641 -3.250 1.00 0.00 O ATOM 0 H SER A 22 7.273 -15.575 -2.559 1.00 0.00 H new ATOM 0 HA SER A 22 7.417 -16.357 -4.619 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.252 -18.336 -3.881 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.438 -18.490 -5.162 1.00 0.00 H new ATOM 0 HG SER A 22 7.077 -19.615 -3.234 1.00 0.00 H new ATOM 333 N TYR A 23 5.299 -14.576 -4.955 1.00 0.00 N ATOM 334 CA TYR A 23 4.601 -13.631 -5.796 1.00 0.00 C ATOM 335 C TYR A 23 3.082 -13.709 -5.716 1.00 0.00 C ATOM 336 O TYR A 23 2.367 -13.078 -6.493 1.00 0.00 O ATOM 337 CB TYR A 23 5.233 -13.661 -7.190 1.00 0.00 C ATOM 338 CG TYR A 23 6.755 -13.597 -7.147 1.00 0.00 C ATOM 339 CD1 TYR A 23 7.387 -12.790 -6.187 1.00 0.00 C ATOM 340 CD2 TYR A 23 7.546 -14.437 -7.953 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.766 -12.754 -6.053 1.00 0.00 C ATOM 342 CE2 TYR A 23 8.947 -14.446 -7.803 1.00 0.00 C ATOM 343 CZ TYR A 23 9.570 -13.588 -6.862 1.00 0.00 C ATOM 344 OH TYR A 23 10.921 -13.588 -6.693 1.00 0.00 O ATOM 0 H TYR A 23 5.742 -14.113 -4.162 1.00 0.00 H new ATOM 0 HA TYR A 23 4.742 -12.621 -5.411 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.926 -14.572 -7.704 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.854 -12.822 -7.774 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.781 -12.180 -5.534 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.078 -15.076 -8.688 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.224 -12.091 -5.333 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.548 -15.109 -8.407 1.00 0.00 H new ATOM 0 HH TYR A 23 11.330 -14.216 -7.325 1.00 0.00 H new ATOM 354 N MET A 24 2.600 -14.417 -4.697 1.00 0.00 N ATOM 355 CA MET A 24 1.214 -14.463 -4.303 1.00 0.00 C ATOM 356 C MET A 24 0.802 -13.120 -3.703 1.00 0.00 C ATOM 357 O MET A 24 0.792 -12.945 -2.484 1.00 0.00 O ATOM 358 CB MET A 24 0.977 -15.638 -3.342 1.00 0.00 C ATOM 359 CG MET A 24 1.344 -16.971 -3.999 1.00 0.00 C ATOM 360 SD MET A 24 0.690 -18.429 -3.141 1.00 0.00 S ATOM 361 CE MET A 24 1.888 -18.557 -1.788 1.00 0.00 C ATOM 0 H MET A 24 3.198 -14.994 -4.106 1.00 0.00 H new ATOM 0 HA MET A 24 0.584 -14.634 -5.176 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.571 -15.499 -2.439 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.069 -15.656 -3.036 1.00 0.00 H new ATOM 0 HG2 MET A 24 0.975 -16.971 -5.025 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.430 -17.051 -4.051 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.566 -19.328 -1.088 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.866 -18.819 -2.192 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.954 -17.601 -1.269 1.00 0.00 H new ATOM 371 N GLU A 25 0.405 -12.175 -4.560 1.00 0.00 N ATOM 372 CA GLU A 25 -0.191 -10.915 -4.140 1.00 0.00 C ATOM 373 C GLU A 25 -1.400 -11.143 -3.219 1.00 0.00 C ATOM 374 O GLU A 25 -1.691 -10.291 -2.386 1.00 0.00 O ATOM 375 CB GLU A 25 -0.590 -10.088 -5.374 1.00 0.00 C ATOM 376 CG GLU A 25 -0.597 -8.592 -5.045 1.00 0.00 C ATOM 377 CD GLU A 25 -1.524 -7.801 -5.967 1.00 0.00 C ATOM 378 OE1 GLU A 25 -1.117 -7.567 -7.126 1.00 0.00 O ATOM 379 OE2 GLU A 25 -2.629 -7.452 -5.489 1.00 0.00 O ATOM 0 H GLU A 25 0.491 -12.269 -5.572 1.00 0.00 H new ATOM 0 HA GLU A 25 0.551 -10.360 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.107 -10.283 -6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.578 -10.394 -5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.910 -8.451 -4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.416 -8.199 -5.128 1.00 0.00 H new ATOM 386 N SER A 26 -2.062 -12.302 -3.311 1.00 0.00 N ATOM 387 CA SER A 26 -3.101 -12.776 -2.406 1.00 0.00 C ATOM 388 C SER A 26 -2.654 -12.744 -0.939 1.00 0.00 C ATOM 389 O SER A 26 -3.429 -12.362 -0.066 1.00 0.00 O ATOM 390 CB SER A 26 -3.470 -14.210 -2.805 1.00 0.00 C ATOM 391 OG SER A 26 -3.559 -14.332 -4.214 1.00 0.00 O ATOM 0 H SER A 26 -1.873 -12.966 -4.062 1.00 0.00 H new ATOM 0 HA SER A 26 -3.962 -12.112 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.721 -14.903 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.422 -14.486 -2.351 1.00 0.00 H new ATOM 0 HG SER A 26 -3.794 -15.254 -4.448 1.00 0.00 H new ATOM 397 N LYS A 27 -1.399 -13.121 -0.660 1.00 0.00 N ATOM 398 CA LYS A 27 -0.792 -13.031 0.659 1.00 0.00 C ATOM 399 C LYS A 27 -0.525 -11.560 0.979 1.00 0.00 C ATOM 400 O LYS A 27 -0.854 -11.068 2.058 1.00 0.00 O ATOM 401 CB LYS A 27 0.526 -13.828 0.691 1.00 0.00 C ATOM 402 CG LYS A 27 0.393 -15.326 0.357 1.00 0.00 C ATOM 403 CD LYS A 27 0.103 -16.180 1.597 1.00 0.00 C ATOM 404 CE LYS A 27 0.019 -17.675 1.265 1.00 0.00 C ATOM 405 NZ LYS A 27 -1.090 -17.990 0.344 1.00 0.00 N ATOM 0 H LYS A 27 -0.770 -13.504 -1.366 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.467 -13.453 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.223 -13.375 -0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.967 -13.731 1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.407 -15.463 -0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.313 -15.673 -0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.885 -16.018 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.835 -15.856 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.960 -17.998 0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.107 -18.242 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.177 -19.022 0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.977 -17.602 0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.898 -17.568 -0.587 1.00 0.00 H new ATOM 419 N CYS A 28 0.051 -10.841 0.012 1.00 0.00 N ATOM 420 CA CYS A 28 0.505 -9.475 0.159 1.00 0.00 C ATOM 421 C CYS A 28 -0.642 -8.455 0.181 1.00 0.00 C ATOM 422 O CYS A 28 -0.382 -7.262 0.307 1.00 0.00 O ATOM 423 CB CYS A 28 1.599 -9.277 -0.886 1.00 0.00 C ATOM 424 SG CYS A 28 2.986 -10.394 -0.512 1.00 0.00 S ATOM 0 H CYS A 28 0.215 -11.216 -0.922 1.00 0.00 H new ATOM 0 HA CYS A 28 0.942 -9.285 1.139 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.209 -9.482 -1.883 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.939 -8.241 -0.884 1.00 0.00 H new ATOM 426 N GLN A 29 -1.909 -8.895 0.176 1.00 0.00 N ATOM 427 CA GLN A 29 -3.041 -8.020 0.483 1.00 0.00 C ATOM 428 C GLN A 29 -2.881 -7.394 1.882 1.00 0.00 C ATOM 429 O GLN A 29 -3.363 -6.282 2.104 1.00 0.00 O ATOM 430 CB GLN A 29 -4.384 -8.767 0.392 1.00 0.00 C ATOM 431 CG GLN A 29 -4.701 -9.353 -0.991 1.00 0.00 C ATOM 432 CD GLN A 29 -4.632 -8.327 -2.121 1.00 0.00 C ATOM 433 OE1 GLN A 29 -5.464 -7.436 -2.220 1.00 0.00 O ATOM 434 NE2 GLN A 29 -3.635 -8.440 -2.983 1.00 0.00 N ATOM 0 H GLN A 29 -2.172 -9.857 -0.039 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.047 -7.227 -0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.384 -9.576 1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.184 -8.083 0.674 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.001 -10.162 -1.203 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.699 -9.792 -0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.954 -9.192 -2.879 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.548 -7.775 -3.752 1.00 0.00 H new ATOM 443 N ALA A 30 -2.157 -8.075 2.790 1.00 0.00 N ATOM 444 CA ALA A 30 -1.745 -7.590 4.104 1.00 0.00 C ATOM 445 C ALA A 30 -0.887 -6.332 3.998 1.00 0.00 C ATOM 446 O ALA A 30 -1.161 -5.309 4.617 1.00 0.00 O ATOM 447 CB ALA A 30 -0.908 -8.671 4.803 1.00 0.00 C ATOM 0 H ALA A 30 -1.832 -9.025 2.610 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.649 -7.358 4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.598 -8.313 5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.505 -9.576 4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.026 -8.893 4.203 1.00 0.00 H new ATOM 453 N VAL A 31 0.200 -6.426 3.239 1.00 0.00 N ATOM 454 CA VAL A 31 1.176 -5.369 3.102 1.00 0.00 C ATOM 455 C VAL A 31 0.626 -4.271 2.181 1.00 0.00 C ATOM 456 O VAL A 31 0.960 -3.102 2.366 1.00 0.00 O ATOM 457 CB VAL A 31 2.496 -6.021 2.673 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.418 -6.590 1.267 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.721 -5.139 2.820 1.00 0.00 C ATOM 0 H VAL A 31 0.425 -7.259 2.694 1.00 0.00 H new ATOM 0 HA VAL A 31 1.381 -4.844 4.035 1.00 0.00 H new ATOM 0 HB VAL A 31 2.631 -6.838 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.374 -7.042 1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.635 -7.347 1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.189 -5.790 0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.605 -5.686 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.601 -4.244 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.839 -4.851 3.865 1.00 0.00 H new ATOM 469 N ILE A 32 -0.282 -4.608 1.251 1.00 0.00 N ATOM 470 CA ILE A 32 -1.046 -3.626 0.506 1.00 0.00 C ATOM 471 C ILE A 32 -1.887 -2.852 1.507 1.00 0.00 C ATOM 472 O ILE A 32 -1.847 -1.628 1.479 1.00 0.00 O ATOM 473 CB ILE A 32 -1.880 -4.287 -0.616 1.00 0.00 C ATOM 474 CG1 ILE A 32 -0.952 -4.716 -1.773 1.00 0.00 C ATOM 475 CG2 ILE A 32 -3.036 -3.388 -1.117 1.00 0.00 C ATOM 476 CD1 ILE A 32 -1.507 -5.875 -2.606 1.00 0.00 C ATOM 0 H ILE A 32 -0.499 -5.573 1.003 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.386 -2.932 -0.015 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.357 -5.172 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.780 -3.860 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.016 -5.005 -1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.585 -3.906 -1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.710 -3.167 -0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.628 -2.457 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.802 -6.122 -3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.653 -6.745 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.461 -5.583 -3.045 1.00 0.00 H new ATOM 488 N GLN A 33 -2.559 -3.531 2.445 1.00 0.00 N ATOM 489 CA GLN A 33 -3.246 -2.890 3.548 1.00 0.00 C ATOM 490 C GLN A 33 -2.326 -1.935 4.290 1.00 0.00 C ATOM 491 O GLN A 33 -2.764 -0.861 4.704 1.00 0.00 O ATOM 492 CB GLN A 33 -3.807 -3.951 4.510 1.00 0.00 C ATOM 493 CG GLN A 33 -5.273 -3.691 4.810 1.00 0.00 C ATOM 494 CD GLN A 33 -6.176 -3.664 3.573 1.00 0.00 C ATOM 495 OE1 GLN A 33 -7.161 -2.933 3.547 1.00 0.00 O ATOM 496 NE2 GLN A 33 -5.872 -4.414 2.518 1.00 0.00 N ATOM 0 H GLN A 33 -2.635 -4.548 2.450 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.072 -2.308 3.140 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.692 -4.942 4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.235 -3.945 5.438 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.634 -4.461 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.361 -2.737 5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.052 -5.021 2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.458 -4.383 1.684 1.00 0.00 H new ATOM 505 N GLU A 34 -1.046 -2.289 4.432 1.00 0.00 N ATOM 506 CA GLU A 34 -0.127 -1.413 5.096 1.00 0.00 C ATOM 507 C GLU A 34 0.198 -0.181 4.243 1.00 0.00 C ATOM 508 O GLU A 34 0.198 0.925 4.781 1.00 0.00 O ATOM 509 CB GLU A 34 1.118 -2.190 5.522 1.00 0.00 C ATOM 510 CG GLU A 34 1.895 -1.283 6.459 1.00 0.00 C ATOM 511 CD GLU A 34 3.103 -1.994 7.066 1.00 0.00 C ATOM 512 OE1 GLU A 34 4.057 -2.249 6.299 1.00 0.00 O ATOM 513 OE2 GLU A 34 3.047 -2.279 8.281 1.00 0.00 O ATOM 0 H GLU A 34 -0.644 -3.165 4.096 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.597 -1.027 6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.843 -3.119 6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.721 -2.460 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.229 -0.399 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.238 -0.937 7.257 1.00 0.00 H new ATOM 520 N LEU A 35 0.439 -0.327 2.932 1.00 0.00 N ATOM 521 CA LEU A 35 0.623 0.834 2.066 1.00 0.00 C ATOM 522 C LEU A 35 -0.648 1.674 2.015 1.00 0.00 C ATOM 523 O LEU A 35 -0.555 2.889 1.908 1.00 0.00 O ATOM 524 CB LEU A 35 1.071 0.479 0.639 1.00 0.00 C ATOM 525 CG LEU A 35 2.448 0.952 0.191 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.585 0.774 -1.320 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.688 2.435 0.471 1.00 0.00 C ATOM 0 H LEU A 35 0.509 -1.227 2.458 1.00 0.00 H new ATOM 0 HA LEU A 35 1.433 1.410 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.040 -0.606 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.335 0.885 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 35 3.168 0.356 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.571 1.113 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.464 -0.279 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.819 1.361 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.685 2.713 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.944 3.030 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.606 2.621 1.542 1.00 0.00 H new ATOM 539 N ARG A 36 -1.821 1.051 2.131 1.00 0.00 N ATOM 540 CA ARG A 36 -3.113 1.723 2.156 1.00 0.00 C ATOM 541 C ARG A 36 -3.151 2.668 3.349 1.00 0.00 C ATOM 542 O ARG A 36 -3.339 3.877 3.221 1.00 0.00 O ATOM 543 CB ARG A 36 -4.235 0.677 2.302 1.00 0.00 C ATOM 544 CG ARG A 36 -5.117 0.491 1.073 1.00 0.00 C ATOM 545 CD ARG A 36 -5.093 -0.963 0.556 1.00 0.00 C ATOM 546 NE ARG A 36 -5.877 -1.265 -0.664 1.00 0.00 N ATOM 547 CZ ARG A 36 -5.814 -0.747 -1.897 1.00 0.00 C ATOM 548 NH1 ARG A 36 -5.119 0.363 -2.147 1.00 0.00 N ATOM 549 NH2 ARG A 36 -6.466 -1.384 -2.870 1.00 0.00 N ATOM 0 H ARG A 36 -1.897 0.037 2.212 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.257 2.281 1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.784 -0.283 2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.867 0.962 3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.142 0.772 1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.782 1.162 0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.055 -1.236 0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.451 -1.611 1.356 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.584 -1.990 -0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.622 0.835 -1.391 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.084 0.741 -3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.989 -2.235 -2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.442 -1.021 -3.823 1.00 0.00 H new ATOM 563 N LYS A 37 -2.958 2.065 4.520 1.00 0.00 N ATOM 564 CA LYS A 37 -2.975 2.735 5.816 1.00 0.00 C ATOM 565 C LYS A 37 -1.866 3.777 5.911 1.00 0.00 C ATOM 566 O LYS A 37 -2.069 4.833 6.512 1.00 0.00 O ATOM 567 CB LYS A 37 -2.822 1.706 6.944 1.00 0.00 C ATOM 568 CG LYS A 37 -4.062 0.811 7.108 1.00 0.00 C ATOM 569 CD LYS A 37 -3.723 -0.462 7.892 1.00 0.00 C ATOM 570 CE LYS A 37 -3.368 -0.154 9.349 1.00 0.00 C ATOM 571 NZ LYS A 37 -3.050 -1.382 10.098 1.00 0.00 N ATOM 0 H LYS A 37 -2.780 1.063 4.594 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.933 3.245 5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.952 1.080 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.630 2.228 7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.847 1.363 7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.454 0.544 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.572 -1.145 7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.886 -0.972 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.515 0.524 9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.202 0.359 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.814 -1.138 11.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.873 -2.018 10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.238 -1.858 9.655 1.00 0.00 H new ATOM 585 N CYS A 38 -0.710 3.488 5.304 1.00 0.00 N ATOM 586 CA CYS A 38 0.360 4.447 5.135 1.00 0.00 C ATOM 587 C CYS A 38 -0.146 5.610 4.304 1.00 0.00 C ATOM 588 O CYS A 38 0.007 6.753 4.700 1.00 0.00 O ATOM 589 CB CYS A 38 1.573 3.808 4.453 1.00 0.00 C ATOM 590 SG CYS A 38 2.985 4.944 4.308 1.00 0.00 S ATOM 0 H CYS A 38 -0.500 2.569 4.916 1.00 0.00 H new ATOM 0 HA CYS A 38 0.675 4.798 6.118 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.879 2.927 5.018 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.286 3.465 3.459 1.00 0.00 H new ATOM 592 N CYS A 39 -0.737 5.332 3.146 1.00 0.00 N ATOM 593 CA CYS A 39 -1.091 6.340 2.170 1.00 0.00 C ATOM 594 C CYS A 39 -2.111 7.317 2.720 1.00 0.00 C ATOM 595 O CYS A 39 -1.917 8.532 2.676 1.00 0.00 O ATOM 596 CB CYS A 39 -1.607 5.620 0.947 1.00 0.00 C ATOM 597 SG CYS A 39 -2.131 6.637 -0.441 1.00 0.00 S ATOM 0 H CYS A 39 -0.984 4.384 2.861 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.218 6.940 1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.826 4.946 0.596 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.451 5.000 1.250 1.00 0.00 H new ATOM 599 N ALA A 40 -3.168 6.760 3.305 1.00 0.00 N ATOM 600 CA ALA A 40 -4.284 7.510 3.839 1.00 0.00 C ATOM 601 C ALA A 40 -3.900 8.339 5.070 1.00 0.00 C ATOM 602 O ALA A 40 -4.745 9.048 5.612 1.00 0.00 O ATOM 603 CB ALA A 40 -5.433 6.542 4.152 1.00 0.00 C ATOM 0 H ALA A 40 -3.268 5.751 3.420 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.607 8.229 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.279 7.099 4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.737 6.031 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.100 5.807 4.885 1.00 0.00 H new ATOM 609 N GLN A 41 -2.642 8.264 5.519 1.00 0.00 N ATOM 610 CA GLN A 41 -2.121 9.020 6.622 1.00 0.00 C ATOM 611 C GLN A 41 -1.659 10.414 6.179 1.00 0.00 C ATOM 612 O GLN A 41 -1.279 11.220 7.029 1.00 0.00 O ATOM 613 CB GLN A 41 -0.961 8.197 7.183 1.00 0.00 C ATOM 614 CG GLN A 41 -0.898 8.163 8.688 1.00 0.00 C ATOM 615 CD GLN A 41 -2.084 7.460 9.359 1.00 0.00 C ATOM 616 OE1 GLN A 41 -2.563 7.905 10.394 1.00 0.00 O ATOM 617 NE2 GLN A 41 -2.586 6.351 8.820 1.00 0.00 N ATOM 0 H GLN A 41 -1.948 7.647 5.097 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.886 9.191 7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.042 7.176 6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.024 8.603 6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.022 7.663 8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.841 9.186 9.060 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.189 5.978 7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.368 5.874 9.269 1.00 0.00 H new ATOM 626 N TYR A 42 -1.651 10.694 4.865 1.00 0.00 N ATOM 627 CA TYR A 42 -1.045 11.868 4.277 1.00 0.00 C ATOM 628 C TYR A 42 -1.916 12.439 3.158 1.00 0.00 C ATOM 629 O TYR A 42 -2.731 11.714 2.584 1.00 0.00 O ATOM 630 CB TYR A 42 0.320 11.506 3.669 1.00 0.00 C ATOM 631 CG TYR A 42 1.328 10.912 4.624 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.261 9.542 4.899 1.00 0.00 C ATOM 633 CD2 TYR A 42 2.328 11.695 5.223 1.00 0.00 C ATOM 634 CE1 TYR A 42 2.209 8.921 5.723 1.00 0.00 C ATOM 635 CE2 TYR A 42 3.281 11.092 6.062 1.00 0.00 C ATOM 636 CZ TYR A 42 3.226 9.701 6.320 1.00 0.00 C ATOM 637 OH TYR A 42 4.136 9.128 7.155 1.00 0.00 O ATOM 0 H TYR A 42 -2.083 10.081 4.174 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.934 12.608 5.069 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.158 10.799 2.855 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.751 12.405 3.229 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.465 8.953 4.469 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.365 12.759 5.039 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.163 7.857 5.900 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.058 11.692 6.512 1.00 0.00 H new ATOM 0 HH TYR A 42 4.763 9.811 7.474 1.00 0.00 H new ATOM 647 N PRO A 43 -1.716 13.715 2.780 1.00 0.00 N ATOM 648 CA PRO A 43 -2.266 14.233 1.537 1.00 0.00 C ATOM 649 C PRO A 43 -1.515 13.494 0.421 1.00 0.00 C ATOM 650 O PRO A 43 -0.291 13.579 0.364 1.00 0.00 O ATOM 651 CB PRO A 43 -1.991 15.742 1.571 1.00 0.00 C ATOM 652 CG PRO A 43 -0.766 15.882 2.479 1.00 0.00 C ATOM 653 CD PRO A 43 -0.904 14.718 3.462 1.00 0.00 C ATOM 0 HA PRO A 43 -3.335 14.084 1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.793 16.133 0.573 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.844 16.293 1.966 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.162 15.818 1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.758 16.842 2.995 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.073 14.314 3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.379 15.042 4.388 1.00 0.00 H new ATOM 661 N LYS A 44 -2.212 12.748 -0.447 1.00 0.00 N ATOM 662 CA LYS A 44 -1.591 11.789 -1.375 1.00 0.00 C ATOM 663 C LYS A 44 -0.382 12.304 -2.169 1.00 0.00 C ATOM 664 O LYS A 44 0.549 11.537 -2.400 1.00 0.00 O ATOM 665 CB LYS A 44 -2.656 11.163 -2.289 1.00 0.00 C ATOM 666 CG LYS A 44 -3.196 12.130 -3.356 1.00 0.00 C ATOM 667 CD LYS A 44 -4.370 11.504 -4.120 1.00 0.00 C ATOM 668 CE LYS A 44 -4.810 12.364 -5.310 1.00 0.00 C ATOM 669 NZ LYS A 44 -5.391 13.651 -4.882 1.00 0.00 N ATOM 0 H LYS A 44 -3.228 12.792 -0.527 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.156 11.020 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.231 10.290 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.486 10.810 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.519 13.057 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.400 12.389 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.084 10.514 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.212 11.368 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.953 12.551 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.543 11.815 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.674 14.199 -5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.224 13.474 -4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.684 14.188 -4.339 1.00 0.00 H new ATOM 683 N GLY A 45 -0.339 13.598 -2.511 1.00 0.00 N ATOM 684 CA GLY A 45 0.787 14.217 -3.204 1.00 0.00 C ATOM 685 C GLY A 45 2.111 14.135 -2.430 1.00 0.00 C ATOM 686 O GLY A 45 3.169 14.324 -3.026 1.00 0.00 O ATOM 0 H GLY A 45 -1.098 14.249 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.913 13.736 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.553 15.264 -3.395 1.00 0.00 H new ATOM 690 N ARG A 46 2.081 13.816 -1.130 1.00 0.00 N ATOM 691 CA ARG A 46 3.228 13.498 -0.303 1.00 0.00 C ATOM 692 C ARG A 46 3.919 12.194 -0.735 1.00 0.00 C ATOM 693 O ARG A 46 4.997 11.889 -0.230 1.00 0.00 O ATOM 694 CB ARG A 46 2.687 13.379 1.130 1.00 0.00 C ATOM 695 CG ARG A 46 3.741 13.472 2.230 1.00 0.00 C ATOM 696 CD ARG A 46 3.832 14.870 2.849 1.00 0.00 C ATOM 697 NE ARG A 46 4.286 15.873 1.869 1.00 0.00 N ATOM 698 CZ ARG A 46 5.500 16.433 1.793 1.00 0.00 C ATOM 699 NH1 ARG A 46 6.464 16.102 2.648 1.00 0.00 N ATOM 700 NH2 ARG A 46 5.761 17.329 0.844 1.00 0.00 N ATOM 0 H ARG A 46 1.205 13.774 -0.609 1.00 0.00 H new ATOM 0 HA ARG A 46 3.990 14.273 -0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.948 14.164 1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.166 12.427 1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.509 12.748 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.713 13.197 1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.856 15.159 3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.520 14.850 3.694 1.00 0.00 H new ATOM 0 HE ARG A 46 3.602 16.173 1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.284 15.411 3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.383 16.539 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.036 17.589 0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.686 17.756 0.786 1.00 0.00 H new ATOM 714 N SER A 47 3.320 11.379 -1.616 1.00 0.00 N ATOM 715 CA SER A 47 3.922 10.129 -2.023 1.00 0.00 C ATOM 716 C SER A 47 3.478 9.676 -3.408 1.00 0.00 C ATOM 717 O SER A 47 2.300 9.684 -3.774 1.00 0.00 O ATOM 718 CB SER A 47 3.652 9.092 -0.935 1.00 0.00 C ATOM 719 OG SER A 47 3.835 7.769 -1.380 1.00 0.00 O ATOM 0 H SER A 47 2.419 11.575 -2.053 1.00 0.00 H new ATOM 0 HA SER A 47 4.999 10.265 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.313 9.280 -0.089 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.631 9.210 -0.573 1.00 0.00 H new ATOM 0 HG SER A 47 4.707 7.439 -1.077 1.00 0.00 H new ATOM 725 N VAL A 48 4.473 9.215 -4.158 1.00 0.00 N ATOM 726 CA VAL A 48 4.326 8.650 -5.482 1.00 0.00 C ATOM 727 C VAL A 48 3.639 7.294 -5.364 1.00 0.00 C ATOM 728 O VAL A 48 2.612 7.069 -6.001 1.00 0.00 O ATOM 729 CB VAL A 48 5.686 8.540 -6.205 1.00 0.00 C ATOM 730 CG1 VAL A 48 5.437 8.180 -7.675 1.00 0.00 C ATOM 731 CG2 VAL A 48 6.503 9.842 -6.131 1.00 0.00 C ATOM 0 H VAL A 48 5.442 9.228 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 48 3.709 9.312 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 48 6.267 7.766 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.391 8.099 -8.196 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.911 7.227 -7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.832 8.957 -8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.449 9.708 -6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.941 10.651 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.698 10.090 -5.088 1.00 0.00 H new ATOM 741 N VAL A 49 4.178 6.397 -4.529 1.00 0.00 N ATOM 742 CA VAL A 49 3.630 5.058 -4.367 1.00 0.00 C ATOM 743 C VAL A 49 2.179 5.140 -3.877 1.00 0.00 C ATOM 744 O VAL A 49 1.325 4.439 -4.411 1.00 0.00 O ATOM 745 CB VAL A 49 4.535 4.194 -3.463 1.00 0.00 C ATOM 746 CG1 VAL A 49 6.010 4.255 -3.878 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.501 4.625 -1.999 1.00 0.00 C ATOM 0 H VAL A 49 5.000 6.583 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 49 3.610 4.555 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 49 4.132 3.188 -3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.602 3.630 -3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.115 3.894 -4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.362 5.285 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.157 3.980 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.840 5.658 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.482 4.546 -1.620 1.00 0.00 H new ATOM 757 N CYS A 50 1.886 6.045 -2.931 1.00 0.00 N ATOM 758 CA CYS A 50 0.560 6.293 -2.378 1.00 0.00 C ATOM 759 C CYS A 50 -0.374 6.834 -3.467 1.00 0.00 C ATOM 760 O CYS A 50 -1.547 6.458 -3.536 1.00 0.00 O ATOM 761 CB CYS A 50 0.715 7.342 -1.272 1.00 0.00 C ATOM 762 SG CYS A 50 -0.763 8.125 -0.590 1.00 0.00 S ATOM 0 H CYS A 50 2.600 6.645 -2.518 1.00 0.00 H new ATOM 0 HA CYS A 50 0.133 5.370 -1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.249 6.872 -0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.358 8.133 -1.658 1.00 0.00 H new ATOM 764 N SER A 51 0.151 7.677 -4.363 1.00 0.00 N ATOM 765 CA SER A 51 -0.594 8.152 -5.514 1.00 0.00 C ATOM 766 C SER A 51 -0.902 7.007 -6.489 1.00 0.00 C ATOM 767 O SER A 51 -1.902 7.085 -7.203 1.00 0.00 O ATOM 768 CB SER A 51 0.159 9.300 -6.195 1.00 0.00 C ATOM 769 OG SER A 51 0.351 10.378 -5.297 1.00 0.00 O ATOM 0 H SER A 51 1.101 8.043 -4.303 1.00 0.00 H new ATOM 0 HA SER A 51 -1.554 8.539 -5.172 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.124 8.945 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.400 9.642 -7.066 1.00 0.00 H new ATOM 0 HG SER A 51 1.189 10.249 -4.805 1.00 0.00 H new ATOM 775 N GLY A 52 -0.120 5.912 -6.480 1.00 0.00 N ATOM 776 CA GLY A 52 -0.495 4.693 -7.207 1.00 0.00 C ATOM 777 C GLY A 52 -1.569 3.901 -6.468 1.00 0.00 C ATOM 778 O GLY A 52 -2.348 3.134 -7.032 1.00 0.00 O ATOM 0 H GLY A 52 0.767 5.849 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.858 4.959 -8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.387 4.067 -7.347 1.00 0.00 H new ATOM 782 N PHE A 53 -1.589 4.093 -5.161 1.00 0.00 N ATOM 783 CA PHE A 53 -2.286 3.287 -4.210 1.00 0.00 C ATOM 784 C PHE A 53 -3.749 3.574 -4.043 1.00 0.00 C ATOM 785 O PHE A 53 -4.550 2.656 -3.906 1.00 0.00 O ATOM 786 CB PHE A 53 -1.567 3.505 -2.897 1.00 0.00 C ATOM 787 CG PHE A 53 -1.329 2.180 -2.332 1.00 0.00 C ATOM 788 CD1 PHE A 53 -0.370 1.382 -2.963 1.00 0.00 C ATOM 789 CD2 PHE A 53 -2.177 1.694 -1.348 1.00 0.00 C ATOM 790 CE1 PHE A 53 -0.235 0.056 -2.573 1.00 0.00 C ATOM 791 CE2 PHE A 53 -2.003 0.384 -0.931 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.045 -0.431 -1.542 1.00 0.00 C ATOM 0 H PHE A 53 -1.085 4.864 -4.723 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.272 2.258 -4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.627 4.035 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.168 4.113 -2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.256 1.791 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.949 2.317 -0.920 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.483 -0.588 -3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.611 -0.010 -0.130 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.929 -1.453 -1.213 1.00 0.00 H new ATOM 802 N GLU A 54 -4.096 4.850 -4.021 1.00 0.00 N ATOM 803 CA GLU A 54 -5.490 5.250 -4.052 1.00 0.00 C ATOM 804 C GLU A 54 -6.119 4.919 -5.416 1.00 0.00 C ATOM 805 O GLU A 54 -7.323 4.670 -5.477 1.00 0.00 O ATOM 806 CB GLU A 54 -5.638 6.698 -3.580 1.00 0.00 C ATOM 807 CG GLU A 54 -5.337 6.731 -2.065 1.00 0.00 C ATOM 808 CD GLU A 54 -5.368 8.127 -1.439 1.00 0.00 C ATOM 809 OE1 GLU A 54 -5.564 9.110 -2.187 1.00 0.00 O ATOM 810 OE2 GLU A 54 -5.209 8.189 -0.200 1.00 0.00 O ATOM 0 H GLU A 54 -3.433 5.624 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.073 4.667 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.951 7.349 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.646 7.064 -3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.062 6.100 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.354 6.292 -1.894 1.00 0.00 H new ATOM 817 N LYS A 55 -5.317 4.797 -6.489 1.00 0.00 N ATOM 818 CA LYS A 55 -5.792 4.220 -7.738 1.00 0.00 C ATOM 819 C LYS A 55 -6.029 2.718 -7.543 1.00 0.00 C ATOM 820 O LYS A 55 -7.086 2.224 -7.925 1.00 0.00 O ATOM 821 CB LYS A 55 -4.833 4.542 -8.898 1.00 0.00 C ATOM 822 CG LYS A 55 -5.283 3.984 -10.261 1.00 0.00 C ATOM 823 CD LYS A 55 -6.644 4.490 -10.764 1.00 0.00 C ATOM 824 CE LYS A 55 -6.651 6.012 -10.938 1.00 0.00 C ATOM 825 NZ LYS A 55 -7.906 6.480 -11.552 1.00 0.00 N ATOM 0 H LYS A 55 -4.341 5.092 -6.506 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.746 4.669 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.727 5.624 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.847 4.142 -8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.525 4.232 -11.004 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.321 2.897 -10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.881 4.013 -11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.424 4.200 -10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.519 6.491 -9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.807 6.312 -11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.913 7.520 -11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.978 6.109 -12.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.714 6.142 -10.991 1.00 0.00 H new ATOM 839 N GLU A 56 -5.106 1.998 -6.891 1.00 0.00 N ATOM 840 CA GLU A 56 -5.323 0.605 -6.485 1.00 0.00 C ATOM 841 C GLU A 56 -6.527 0.468 -5.543 1.00 0.00 C ATOM 842 O GLU A 56 -7.177 -0.574 -5.527 1.00 0.00 O ATOM 843 CB GLU A 56 -4.076 0.009 -5.806 1.00 0.00 C ATOM 844 CG GLU A 56 -2.974 -0.347 -6.805 1.00 0.00 C ATOM 845 CD GLU A 56 -1.667 -0.668 -6.079 1.00 0.00 C ATOM 846 OE1 GLU A 56 -1.536 -1.824 -5.620 1.00 0.00 O ATOM 847 OE2 GLU A 56 -0.825 0.252 -5.980 1.00 0.00 O ATOM 0 H GLU A 56 -4.190 2.365 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.527 0.049 -7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.686 0.723 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.361 -0.885 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.283 -1.204 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.819 0.484 -7.493 1.00 0.00 H new ATOM 854 N GLU A 57 -6.822 1.468 -4.713 1.00 0.00 N ATOM 855 CA GLU A 57 -7.996 1.475 -3.852 1.00 0.00 C ATOM 856 C GLU A 57 -9.238 1.540 -4.732 1.00 0.00 C ATOM 857 O GLU A 57 -10.075 0.644 -4.667 1.00 0.00 O ATOM 858 CB GLU A 57 -7.930 2.612 -2.817 1.00 0.00 C ATOM 859 CG GLU A 57 -9.057 2.552 -1.777 1.00 0.00 C ATOM 860 CD GLU A 57 -8.952 1.331 -0.863 1.00 0.00 C ATOM 861 OE1 GLU A 57 -9.485 0.270 -1.256 1.00 0.00 O ATOM 862 OE2 GLU A 57 -8.351 1.482 0.223 1.00 0.00 O ATOM 0 H GLU A 57 -6.244 2.303 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.036 0.557 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.969 2.572 -2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.974 3.569 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.035 3.458 -1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.019 2.535 -2.290 1.00 0.00 H new ATOM 869 N GLU A 58 -9.319 2.554 -5.602 1.00 0.00 N ATOM 870 CA GLU A 58 -10.412 2.714 -6.551 1.00 0.00 C ATOM 871 C GLU A 58 -10.586 1.466 -7.424 1.00 0.00 C ATOM 872 O GLU A 58 -11.718 1.084 -7.706 1.00 0.00 O ATOM 873 CB GLU A 58 -10.157 3.980 -7.386 1.00 0.00 C ATOM 874 CG GLU A 58 -11.322 4.319 -8.323 1.00 0.00 C ATOM 875 CD GLU A 58 -11.057 5.630 -9.061 1.00 0.00 C ATOM 876 OE1 GLU A 58 -10.272 5.588 -10.034 1.00 0.00 O ATOM 877 OE2 GLU A 58 -11.628 6.656 -8.632 1.00 0.00 O ATOM 0 H GLU A 58 -8.617 3.291 -5.662 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.352 2.832 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.979 4.821 -6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.250 3.844 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.463 3.513 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.245 4.399 -7.749 1.00 0.00 H new ATOM 884 N GLU A 59 -9.482 0.806 -7.801 1.00 0.00 N ATOM 885 CA GLU A 59 -9.478 -0.452 -8.533 1.00 0.00 C ATOM 886 C GLU A 59 -10.268 -1.506 -7.762 1.00 0.00 C ATOM 887 O GLU A 59 -11.237 -2.068 -8.272 1.00 0.00 O ATOM 888 CB GLU A 59 -8.036 -0.896 -8.825 1.00 0.00 C ATOM 889 CG GLU A 59 -7.970 -2.061 -9.817 1.00 0.00 C ATOM 890 CD GLU A 59 -6.598 -2.737 -9.796 1.00 0.00 C ATOM 891 OE1 GLU A 59 -5.590 -2.011 -9.931 1.00 0.00 O ATOM 892 OE2 GLU A 59 -6.583 -3.979 -9.624 1.00 0.00 O ATOM 0 H GLU A 59 -8.544 1.149 -7.595 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.970 -0.316 -9.496 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.473 -0.052 -9.223 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.554 -1.189 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.741 -2.792 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.182 -1.697 -10.822 1.00 0.00 H new ATOM 899 N ASN A 60 -9.847 -1.774 -6.530 1.00 0.00 N ATOM 900 CA ASN A 60 -10.373 -2.885 -5.756 1.00 0.00 C ATOM 901 C ASN A 60 -11.768 -2.603 -5.217 1.00 0.00 C ATOM 902 O ASN A 60 -12.563 -3.535 -5.095 1.00 0.00 O ATOM 903 CB ASN A 60 -9.398 -3.247 -4.644 1.00 0.00 C ATOM 904 CG ASN A 60 -8.208 -3.981 -5.252 1.00 0.00 C ATOM 905 OD1 ASN A 60 -8.241 -5.194 -5.444 1.00 0.00 O ATOM 906 ND2 ASN A 60 -7.185 -3.260 -5.685 1.00 0.00 N ATOM 0 H ASN A 60 -9.135 -1.228 -6.045 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.476 -3.743 -6.420 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.063 -2.347 -4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.889 -3.875 -3.901 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.417 -3.711 -6.182 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.165 -2.253 -5.522 1.00 0.00 H new ATOM 913 N LEU A 61 -12.089 -1.324 -4.987 1.00 0.00 N ATOM 914 CA LEU A 61 -13.441 -0.879 -4.672 1.00 0.00 C ATOM 915 C LEU A 61 -14.466 -1.283 -5.743 1.00 0.00 C ATOM 916 O LEU A 61 -15.645 -1.385 -5.410 1.00 0.00 O ATOM 917 CB LEU A 61 -13.479 0.638 -4.410 1.00 0.00 C ATOM 918 CG LEU A 61 -12.890 1.071 -3.049 1.00 0.00 C ATOM 919 CD1 LEU A 61 -12.860 2.604 -2.977 1.00 0.00 C ATOM 920 CD2 LEU A 61 -13.689 0.533 -1.855 1.00 0.00 C ATOM 0 H LEU A 61 -11.407 -0.566 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 61 -13.732 -1.393 -3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.932 1.144 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.513 0.978 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.886 0.652 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.445 2.915 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.240 2.994 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.873 2.993 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.227 0.870 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.713 0.903 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -13.695 -0.557 -1.882 1.00 0.00 H new ATOM 932 N THR A 62 -14.057 -1.553 -6.994 1.00 0.00 N ATOM 933 CA THR A 62 -14.956 -2.107 -8.005 1.00 0.00 C ATOM 934 C THR A 62 -15.423 -3.509 -7.610 1.00 0.00 C ATOM 935 O THR A 62 -16.613 -3.810 -7.678 1.00 0.00 O ATOM 936 CB THR A 62 -14.318 -2.118 -9.407 1.00 0.00 C ATOM 937 OG1 THR A 62 -13.206 -2.983 -9.512 1.00 0.00 O ATOM 938 CG2 THR A 62 -13.872 -0.726 -9.839 1.00 0.00 C ATOM 0 H THR A 62 -13.105 -1.394 -7.324 1.00 0.00 H new ATOM 0 HA THR A 62 -15.826 -1.452 -8.053 1.00 0.00 H new ATOM 0 HB THR A 62 -15.108 -2.484 -10.063 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.603 -2.834 -8.754 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.428 -0.778 -10.833 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.733 -0.059 -9.861 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.135 -0.344 -9.132 1.00 0.00 H new ATOM 946 N ARG A 63 -14.477 -4.360 -7.196 1.00 0.00 N ATOM 947 CA ARG A 63 -14.741 -5.714 -6.724 1.00 0.00 C ATOM 948 C ARG A 63 -15.570 -5.692 -5.442 1.00 0.00 C ATOM 949 O ARG A 63 -16.616 -6.338 -5.390 1.00 0.00 O ATOM 950 CB ARG A 63 -13.450 -6.533 -6.510 1.00 0.00 C ATOM 951 CG ARG A 63 -12.898 -7.185 -7.786 1.00 0.00 C ATOM 952 CD ARG A 63 -12.095 -6.244 -8.687 1.00 0.00 C ATOM 953 NE ARG A 63 -10.795 -5.887 -8.092 1.00 0.00 N ATOM 954 CZ ARG A 63 -9.694 -5.558 -8.785 1.00 0.00 C ATOM 955 NH1 ARG A 63 -9.754 -5.408 -10.107 1.00 0.00 N ATOM 956 NH2 ARG A 63 -8.530 -5.376 -8.166 1.00 0.00 N ATOM 0 H ARG A 63 -13.487 -4.116 -7.182 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.311 -6.209 -7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -12.685 -5.881 -6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -13.645 -7.312 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.264 -8.025 -7.504 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.731 -7.593 -8.359 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.933 -6.719 -9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.672 -5.337 -8.870 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.727 -5.890 -7.074 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.639 -5.543 -10.596 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.915 -5.158 -10.630 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.468 -5.486 -7.154 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.700 -5.126 -8.704 1.00 0.00 H new ATOM 970 N LYS A 64 -15.081 -5.026 -4.390 1.00 0.00 N ATOM 971 CA LYS A 64 -15.732 -5.017 -3.086 1.00 0.00 C ATOM 972 C LYS A 64 -15.279 -3.804 -2.285 1.00 0.00 C ATOM 973 O LYS A 64 -14.181 -3.302 -2.488 1.00 0.00 O ATOM 974 CB LYS A 64 -15.389 -6.331 -2.350 1.00 0.00 C ATOM 975 CG LYS A 64 -16.234 -6.638 -1.099 1.00 0.00 C ATOM 976 CD LYS A 64 -17.756 -6.667 -1.335 1.00 0.00 C ATOM 977 CE LYS A 64 -18.195 -7.586 -2.480 1.00 0.00 C ATOM 978 NZ LYS A 64 -17.855 -8.998 -2.227 1.00 0.00 N ATOM 0 H LYS A 64 -14.221 -4.479 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.813 -4.950 -3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.499 -7.158 -3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.339 -6.298 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.925 -7.603 -0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.013 -5.890 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -18.249 -6.987 -0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -18.100 -5.654 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -19.272 -7.494 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.721 -7.261 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.171 -9.580 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.825 -9.093 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.328 -9.319 -1.358 1.00 0.00 H new ATOM 992 N SER A 65 -16.080 -3.385 -1.299 1.00 0.00 N ATOM 993 CA SER A 65 -15.762 -2.277 -0.396 1.00 0.00 C ATOM 994 C SER A 65 -14.546 -2.502 0.501 1.00 0.00 C ATOM 995 O SER A 65 -13.956 -1.578 1.053 1.00 0.00 O ATOM 996 CB SER A 65 -16.987 -2.009 0.476 1.00 0.00 C ATOM 997 OG SER A 65 -18.168 -1.981 -0.306 1.00 0.00 O ATOM 0 H SER A 65 -16.984 -3.816 -1.104 1.00 0.00 H new ATOM 0 HA SER A 65 -15.502 -1.427 -1.027 1.00 0.00 H new ATOM 0 HB2 SER A 65 -17.070 -2.782 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.868 -1.058 0.996 1.00 0.00 H new ATOM 0 HG SER A 65 -18.940 -1.810 0.273 1.00 0.00 H new ATOM 1003 N ALA A 66 -14.210 -3.771 0.613 1.00 0.00 N ATOM 1004 CA ALA A 66 -13.024 -4.333 1.218 1.00 0.00 C ATOM 1005 C ALA A 66 -11.789 -3.889 0.432 1.00 0.00 C ATOM 1006 O ALA A 66 -11.629 -4.266 -0.729 1.00 0.00 O ATOM 1007 CB ALA A 66 -13.140 -5.861 1.268 1.00 0.00 C ATOM 0 H ALA A 66 -14.820 -4.502 0.247 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.923 -3.972 2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.243 -6.279 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.012 -6.141 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.247 -6.251 0.256 1.00 0.00 H new ATOM 1013 N SER A 67 -10.904 -3.116 1.067 1.00 0.00 N ATOM 1014 CA SER A 67 -9.682 -2.526 0.528 1.00 0.00 C ATOM 1015 C SER A 67 -8.583 -3.556 0.198 1.00 0.00 C ATOM 1016 O SER A 67 -7.401 -3.344 0.479 1.00 0.00 O ATOM 1017 CB SER A 67 -9.226 -1.449 1.528 1.00 0.00 C ATOM 1018 OG SER A 67 -9.328 -1.914 2.865 1.00 0.00 O ATOM 0 H SER A 67 -11.036 -2.869 2.048 1.00 0.00 H new ATOM 0 HA SER A 67 -9.890 -2.077 -0.443 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.195 -1.166 1.316 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.834 -0.553 1.404 1.00 0.00 H new ATOM 0 HG SER A 67 -8.630 -2.580 3.034 1.00 0.00 H new ATOM 1024 N LYS A 68 -8.939 -4.697 -0.399 1.00 0.00 N ATOM 1025 CA LYS A 68 -7.999 -5.705 -0.864 1.00 0.00 C ATOM 1026 C LYS A 68 -7.042 -5.142 -1.929 1.00 0.00 C ATOM 1027 O LYS A 68 -7.189 -4.008 -2.403 1.00 0.00 O ATOM 1028 CB LYS A 68 -8.758 -6.957 -1.335 1.00 0.00 C ATOM 1029 CG LYS A 68 -9.493 -6.755 -2.667 1.00 0.00 C ATOM 1030 CD LYS A 68 -10.263 -8.009 -3.095 1.00 0.00 C ATOM 1031 CE LYS A 68 -10.852 -7.849 -4.502 1.00 0.00 C ATOM 1032 NZ LYS A 68 -9.803 -7.780 -5.538 1.00 0.00 N ATOM 0 H LYS A 68 -9.913 -4.945 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.364 -6.006 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.054 -7.783 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.479 -7.246 -0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.186 -5.918 -2.575 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.773 -6.490 -3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.597 -8.872 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.065 -8.207 -2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.516 -8.687 -4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.459 -6.944 -4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.235 -7.894 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.324 -6.858 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.110 -8.539 -5.381 1.00 0.00 H new TER 1046 LYS A 68