USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 588 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 22 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.052) USER MOD Set 1.2: A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= -0.0661 (180deg=-0.418) USER MOD Single : A 20 HIS : no HD1:sc= -0.024 X(o=-0.024,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 144:sc= 0.506 (180deg=0.393) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 8:sc= 0.968 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0357 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 177:sc= -1.02 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 1.16 K(o=1.2,f=-4.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 18:sc= 1.32 USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= -0.0551 (180deg=-0.311) USER MOD Single : A 59 SER OG : rot 99:sc= 1.15 USER MOD Single : A 64 CYS SG : rot 52:sc= 1.27 USER MOD Single : A 68 THR OG1 : rot 76:sc= 1.05 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00729) USER MOD Single : A 72 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.017) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -170:sc= -1.5! USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 66:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 15 32.312 -7.102 -0.607 1.00 0.00 N ATOM 2 CA LYS A 15 31.115 -7.462 0.186 1.00 0.00 C ATOM 3 C LYS A 15 29.875 -7.399 -0.699 1.00 0.00 C ATOM 4 O LYS A 15 29.864 -6.680 -1.696 1.00 0.00 O ATOM 5 CB LYS A 15 30.968 -6.516 1.388 1.00 0.00 C ATOM 6 CG LYS A 15 30.721 -5.062 1.015 1.00 0.00 C ATOM 7 CD LYS A 15 30.605 -4.187 2.254 1.00 0.00 C ATOM 8 CE LYS A 15 30.234 -2.755 1.902 1.00 0.00 C ATOM 9 NZ LYS A 15 28.935 -2.677 1.183 1.00 0.00 N ATOM 0 HA LYS A 15 31.228 -8.478 0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 15 30.144 -6.864 2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 15 31.872 -6.575 1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 15 31.536 -4.702 0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 15 29.807 -4.985 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 15 29.852 -4.603 2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 15 31.552 -4.195 2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 15 30.180 -2.160 2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 15 31.018 -2.319 1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 28.587 -1.697 1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 29.065 -2.981 0.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 28.243 -3.298 1.648 1.00 0.00 H new ATOM 25 N PRO A 16 28.822 -8.160 -0.365 1.00 0.00 N ATOM 26 CA PRO A 16 27.588 -8.169 -1.151 1.00 0.00 C ATOM 27 C PRO A 16 26.903 -6.809 -1.141 1.00 0.00 C ATOM 28 O PRO A 16 26.790 -6.166 -0.094 1.00 0.00 O ATOM 29 CB PRO A 16 26.715 -9.214 -0.451 1.00 0.00 C ATOM 30 CG PRO A 16 27.268 -9.314 0.928 1.00 0.00 C ATOM 31 CD PRO A 16 28.740 -9.061 0.797 1.00 0.00 C ATOM 0 HA PRO A 16 27.773 -8.396 -2.201 1.00 0.00 H new ATOM 0 HB2 PRO A 16 25.669 -8.909 -0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 16 26.759 -10.174 -0.965 1.00 0.00 H new ATOM 0 HG2 PRO A 16 26.803 -8.583 1.590 1.00 0.00 H new ATOM 0 HG3 PRO A 16 27.077 -10.298 1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 16 29.151 -8.599 1.695 1.00 0.00 H new ATOM 0 HD3 PRO A 16 29.295 -9.985 0.631 1.00 0.00 H new ATOM 39 N GLU A 17 26.465 -6.367 -2.305 1.00 0.00 N ATOM 40 CA GLU A 17 25.826 -5.073 -2.426 1.00 0.00 C ATOM 41 C GLU A 17 24.325 -5.227 -2.615 1.00 0.00 C ATOM 42 O GLU A 17 23.842 -5.467 -3.721 1.00 0.00 O ATOM 43 CB GLU A 17 26.445 -4.281 -3.577 1.00 0.00 C ATOM 44 CG GLU A 17 27.928 -4.015 -3.384 1.00 0.00 C ATOM 45 CD GLU A 17 28.527 -3.186 -4.495 1.00 0.00 C ATOM 46 OE1 GLU A 17 29.025 -3.770 -5.478 1.00 0.00 O ATOM 47 OE2 GLU A 17 28.509 -1.942 -4.390 1.00 0.00 O ATOM 0 H GLU A 17 26.541 -6.886 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 17 25.990 -4.518 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 17 26.298 -4.828 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.921 -3.331 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 17 28.079 -3.503 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.457 -4.966 -3.321 1.00 0.00 H new ATOM 54 N VAL A 18 23.602 -5.131 -1.515 1.00 0.00 N ATOM 55 CA VAL A 18 22.153 -5.191 -1.527 1.00 0.00 C ATOM 56 C VAL A 18 21.601 -3.877 -1.008 1.00 0.00 C ATOM 57 O VAL A 18 21.560 -3.641 0.199 1.00 0.00 O ATOM 58 CB VAL A 18 21.610 -6.345 -0.661 1.00 0.00 C ATOM 59 CG1 VAL A 18 20.091 -6.393 -0.724 1.00 0.00 C ATOM 60 CG2 VAL A 18 22.207 -7.673 -1.096 1.00 0.00 C ATOM 0 H VAL A 18 24.004 -5.009 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 18 21.834 -5.370 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 18 21.905 -6.163 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 18 19.727 -7.214 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.682 -5.452 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 18 19.774 -6.547 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 18 21.810 -8.473 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 18 21.949 -7.864 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.291 -7.636 -0.992 1.00 0.00 H new ATOM 70 N GLU A 19 21.216 -3.010 -1.919 1.00 0.00 N ATOM 71 CA GLU A 19 20.749 -1.690 -1.552 1.00 0.00 C ATOM 72 C GLU A 19 19.230 -1.629 -1.571 1.00 0.00 C ATOM 73 O GLU A 19 18.616 -1.407 -2.616 1.00 0.00 O ATOM 74 CB GLU A 19 21.342 -0.649 -2.498 1.00 0.00 C ATOM 75 CG GLU A 19 22.861 -0.627 -2.490 1.00 0.00 C ATOM 76 CD GLU A 19 23.429 -0.236 -1.143 1.00 0.00 C ATOM 77 OE1 GLU A 19 23.402 0.967 -0.807 1.00 0.00 O ATOM 78 OE2 GLU A 19 23.909 -1.126 -0.410 1.00 0.00 O ATOM 0 H GLU A 19 21.217 -3.196 -2.922 1.00 0.00 H new ATOM 0 HA GLU A 19 21.079 -1.472 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 19 20.994 -0.849 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.970 0.337 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 19 23.237 -1.612 -2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.215 0.073 -3.247 1.00 0.00 H new ATOM 85 N HIS A 20 18.623 -1.857 -0.416 1.00 0.00 N ATOM 86 CA HIS A 20 17.179 -1.763 -0.291 1.00 0.00 C ATOM 87 C HIS A 20 16.806 -0.372 0.207 1.00 0.00 C ATOM 88 O HIS A 20 16.819 -0.106 1.410 1.00 0.00 O ATOM 89 CB HIS A 20 16.641 -2.836 0.661 1.00 0.00 C ATOM 90 CG HIS A 20 15.146 -2.958 0.648 1.00 0.00 C ATOM 91 ND1 HIS A 20 14.334 -2.391 1.605 1.00 0.00 N ATOM 92 CD2 HIS A 20 14.318 -3.600 -0.211 1.00 0.00 C ATOM 93 CE1 HIS A 20 13.073 -2.680 1.336 1.00 0.00 C ATOM 94 NE2 HIS A 20 13.036 -3.411 0.240 1.00 0.00 N ATOM 0 H HIS A 20 19.108 -2.108 0.446 1.00 0.00 H new ATOM 0 HA HIS A 20 16.727 -1.931 -1.269 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.078 -3.798 0.394 1.00 0.00 H new ATOM 0 HB3 HIS A 20 16.969 -2.607 1.675 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.612 -4.157 -1.088 1.00 0.00 H new ATOM 0 HE1 HIS A 20 12.217 -2.369 1.917 1.00 0.00 H new ATOM 0 HE2 HIS A 20 12.192 -3.777 -0.201 1.00 0.00 H new ATOM 103 N THR A 21 16.511 0.514 -0.730 1.00 0.00 N ATOM 104 CA THR A 21 16.222 1.902 -0.415 1.00 0.00 C ATOM 105 C THR A 21 14.922 2.031 0.379 1.00 0.00 C ATOM 106 O THR A 21 13.832 1.822 -0.155 1.00 0.00 O ATOM 107 CB THR A 21 16.129 2.732 -1.709 1.00 0.00 C ATOM 108 OG1 THR A 21 17.230 2.406 -2.571 1.00 0.00 O ATOM 109 CG2 THR A 21 16.147 4.224 -1.409 1.00 0.00 C ATOM 0 H THR A 21 16.465 0.293 -1.725 1.00 0.00 H new ATOM 0 HA THR A 21 17.037 2.283 0.201 1.00 0.00 H new ATOM 0 HB THR A 21 15.186 2.491 -2.200 1.00 0.00 H new ATOM 0 HG1 THR A 21 17.168 2.934 -3.394 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.080 4.784 -2.342 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.299 4.477 -0.772 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.075 4.481 -0.898 1.00 0.00 H new ATOM 117 N HIS A 22 15.043 2.372 1.659 1.00 0.00 N ATOM 118 CA HIS A 22 13.872 2.524 2.516 1.00 0.00 C ATOM 119 C HIS A 22 13.020 3.698 2.061 1.00 0.00 C ATOM 120 O HIS A 22 11.806 3.696 2.240 1.00 0.00 O ATOM 121 CB HIS A 22 14.264 2.689 3.994 1.00 0.00 C ATOM 122 CG HIS A 22 15.248 3.792 4.282 1.00 0.00 C ATOM 123 ND1 HIS A 22 16.535 3.554 4.718 1.00 0.00 N ATOM 124 CD2 HIS A 22 15.124 5.140 4.213 1.00 0.00 C ATOM 125 CE1 HIS A 22 17.154 4.706 4.905 1.00 0.00 C ATOM 126 NE2 HIS A 22 16.321 5.683 4.604 1.00 0.00 N ATOM 0 H HIS A 22 15.934 2.547 2.123 1.00 0.00 H new ATOM 0 HA HIS A 22 13.286 1.609 2.428 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.359 2.872 4.574 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.685 1.748 4.348 1.00 0.00 H new ATOM 0 HD2 HIS A 22 14.244 5.686 3.906 1.00 0.00 H new ATOM 0 HE1 HIS A 22 18.171 4.827 5.247 1.00 0.00 H new ATOM 0 HE2 HIS A 22 16.532 6.680 4.654 1.00 0.00 H new ATOM 135 N SER A 23 13.663 4.688 1.457 1.00 0.00 N ATOM 136 CA SER A 23 12.963 5.854 0.949 1.00 0.00 C ATOM 137 C SER A 23 11.989 5.455 -0.157 1.00 0.00 C ATOM 138 O SER A 23 10.923 6.054 -0.306 1.00 0.00 O ATOM 139 CB SER A 23 13.977 6.869 0.428 1.00 0.00 C ATOM 140 OG SER A 23 14.979 7.118 1.399 1.00 0.00 O ATOM 0 H SER A 23 14.672 4.704 1.308 1.00 0.00 H new ATOM 0 HA SER A 23 12.388 6.305 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.435 6.496 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.470 7.800 0.174 1.00 0.00 H new ATOM 0 HG SER A 23 15.621 7.770 1.047 1.00 0.00 H new ATOM 146 N GLU A 24 12.353 4.420 -0.909 1.00 0.00 N ATOM 147 CA GLU A 24 11.518 3.922 -1.992 1.00 0.00 C ATOM 148 C GLU A 24 10.252 3.274 -1.446 1.00 0.00 C ATOM 149 O GLU A 24 9.156 3.500 -1.960 1.00 0.00 O ATOM 150 CB GLU A 24 12.296 2.921 -2.846 1.00 0.00 C ATOM 151 CG GLU A 24 13.395 3.560 -3.678 1.00 0.00 C ATOM 152 CD GLU A 24 12.863 4.622 -4.613 1.00 0.00 C ATOM 153 OE1 GLU A 24 13.164 5.815 -4.403 1.00 0.00 O ATOM 154 OE2 GLU A 24 12.123 4.271 -5.553 1.00 0.00 O ATOM 0 H GLU A 24 13.227 3.909 -0.785 1.00 0.00 H new ATOM 0 HA GLU A 24 11.229 4.768 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.736 2.165 -2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.602 2.405 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.139 4.002 -3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.903 2.790 -4.258 1.00 0.00 H new ATOM 161 N ARG A 25 10.401 2.469 -0.405 1.00 0.00 N ATOM 162 CA ARG A 25 9.259 1.873 0.254 1.00 0.00 C ATOM 163 C ARG A 25 8.447 2.946 0.966 1.00 0.00 C ATOM 164 O ARG A 25 7.233 3.031 0.792 1.00 0.00 O ATOM 165 CB ARG A 25 9.724 0.797 1.241 1.00 0.00 C ATOM 166 CG ARG A 25 8.734 0.534 2.357 1.00 0.00 C ATOM 167 CD ARG A 25 9.149 -0.649 3.216 1.00 0.00 C ATOM 168 NE ARG A 25 9.014 -1.919 2.503 1.00 0.00 N ATOM 169 CZ ARG A 25 9.722 -3.009 2.780 1.00 0.00 C ATOM 170 NH1 ARG A 25 10.634 -2.993 3.745 1.00 0.00 N ATOM 171 NH2 ARG A 25 9.510 -4.119 2.084 1.00 0.00 N ATOM 0 H ARG A 25 11.303 2.216 -0.002 1.00 0.00 H new ATOM 0 HA ARG A 25 8.622 1.401 -0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.902 -0.131 0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.677 1.100 1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.646 1.423 2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.749 0.345 1.931 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.183 -0.520 3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.538 -0.673 4.119 1.00 0.00 H new ATOM 0 HE ARG A 25 8.333 -1.971 1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.795 -2.140 4.280 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.173 -3.834 3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.808 -4.131 1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.049 -4.960 2.289 1.00 0.00 H new ATOM 185 N GLU A 26 9.139 3.792 1.720 1.00 0.00 N ATOM 186 CA GLU A 26 8.498 4.825 2.521 1.00 0.00 C ATOM 187 C GLU A 26 7.620 5.747 1.675 1.00 0.00 C ATOM 188 O GLU A 26 6.488 6.049 2.054 1.00 0.00 O ATOM 189 CB GLU A 26 9.569 5.642 3.237 1.00 0.00 C ATOM 190 CG GLU A 26 9.021 6.782 4.068 1.00 0.00 C ATOM 191 CD GLU A 26 10.117 7.612 4.693 1.00 0.00 C ATOM 192 OE1 GLU A 26 10.548 8.602 4.065 1.00 0.00 O ATOM 193 OE2 GLU A 26 10.562 7.278 5.809 1.00 0.00 O ATOM 0 H GLU A 26 10.156 3.781 1.793 1.00 0.00 H new ATOM 0 HA GLU A 26 7.849 4.334 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.145 4.980 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.260 6.045 2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.398 7.420 3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.379 6.381 4.852 1.00 0.00 H new ATOM 200 N LYS A 27 8.129 6.173 0.523 1.00 0.00 N ATOM 201 CA LYS A 27 7.387 7.093 -0.330 1.00 0.00 C ATOM 202 C LYS A 27 6.153 6.410 -0.910 1.00 0.00 C ATOM 203 O LYS A 27 5.085 7.009 -0.990 1.00 0.00 O ATOM 204 CB LYS A 27 8.276 7.649 -1.455 1.00 0.00 C ATOM 205 CG LYS A 27 8.611 6.643 -2.547 1.00 0.00 C ATOM 206 CD LYS A 27 9.539 7.239 -3.590 1.00 0.00 C ATOM 207 CE LYS A 27 9.743 6.290 -4.760 1.00 0.00 C ATOM 208 NZ LYS A 27 10.762 6.795 -5.719 1.00 0.00 N ATOM 0 H LYS A 27 9.043 5.899 0.162 1.00 0.00 H new ATOM 0 HA LYS A 27 7.062 7.932 0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.775 8.505 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.205 8.017 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.079 5.765 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.692 6.306 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.125 8.180 -3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.502 7.468 -3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.051 5.314 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.796 6.147 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.307 5.995 -6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.288 7.293 -6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.405 7.450 -5.230 1.00 0.00 H new ATOM 222 N ARG A 28 6.297 5.144 -1.286 1.00 0.00 N ATOM 223 CA ARG A 28 5.193 4.393 -1.865 1.00 0.00 C ATOM 224 C ARG A 28 4.130 4.103 -0.813 1.00 0.00 C ATOM 225 O ARG A 28 2.934 4.194 -1.089 1.00 0.00 O ATOM 226 CB ARG A 28 5.697 3.097 -2.497 1.00 0.00 C ATOM 227 CG ARG A 28 6.466 3.312 -3.791 1.00 0.00 C ATOM 228 CD ARG A 28 6.937 1.997 -4.389 1.00 0.00 C ATOM 229 NE ARG A 28 7.949 1.345 -3.557 1.00 0.00 N ATOM 230 CZ ARG A 28 8.273 0.056 -3.651 1.00 0.00 C ATOM 231 NH1 ARG A 28 7.669 -0.722 -4.539 1.00 0.00 N ATOM 232 NH2 ARG A 28 9.213 -0.450 -2.865 1.00 0.00 N ATOM 0 H ARG A 28 7.167 4.618 -1.200 1.00 0.00 H new ATOM 0 HA ARG A 28 4.739 5.000 -2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.339 2.580 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.847 2.443 -2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.832 3.832 -4.509 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.326 3.954 -3.601 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.084 1.329 -4.512 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.347 2.177 -5.383 1.00 0.00 H new ATOM 0 HE ARG A 28 8.436 1.912 -2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.953 -0.334 -5.154 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.920 -1.708 -4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.688 0.147 -2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.461 -1.437 -2.937 1.00 0.00 H new ATOM 246 N VAL A 29 4.572 3.765 0.393 1.00 0.00 N ATOM 247 CA VAL A 29 3.657 3.567 1.508 1.00 0.00 C ATOM 248 C VAL A 29 2.926 4.871 1.814 1.00 0.00 C ATOM 249 O VAL A 29 1.720 4.874 2.034 1.00 0.00 O ATOM 250 CB VAL A 29 4.392 3.069 2.775 1.00 0.00 C ATOM 251 CG1 VAL A 29 3.443 2.988 3.963 1.00 0.00 C ATOM 252 CG2 VAL A 29 5.029 1.711 2.522 1.00 0.00 C ATOM 0 H VAL A 29 5.556 3.623 0.622 1.00 0.00 H new ATOM 0 HA VAL A 29 2.940 2.799 1.217 1.00 0.00 H new ATOM 0 HB VAL A 29 5.176 3.789 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.987 2.635 4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.029 3.976 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.633 2.295 3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.542 1.376 3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.256 0.990 2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.747 1.792 1.706 1.00 0.00 H new ATOM 262 N SER A 30 3.659 5.978 1.791 1.00 0.00 N ATOM 263 CA SER A 30 3.074 7.291 2.032 1.00 0.00 C ATOM 264 C SER A 30 2.026 7.614 0.966 1.00 0.00 C ATOM 265 O SER A 30 0.947 8.119 1.280 1.00 0.00 O ATOM 266 CB SER A 30 4.168 8.365 2.055 1.00 0.00 C ATOM 267 OG SER A 30 3.643 9.632 2.425 1.00 0.00 O ATOM 0 H SER A 30 4.662 5.992 1.607 1.00 0.00 H new ATOM 0 HA SER A 30 2.581 7.279 3.004 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.950 8.075 2.756 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.632 8.435 1.071 1.00 0.00 H new ATOM 0 HG SER A 30 4.364 10.295 2.432 1.00 0.00 H new ATOM 273 N ASN A 31 2.344 7.297 -0.288 1.00 0.00 N ATOM 274 CA ASN A 31 1.418 7.503 -1.400 1.00 0.00 C ATOM 275 C ASN A 31 0.155 6.682 -1.199 1.00 0.00 C ATOM 276 O ASN A 31 -0.944 7.107 -1.547 1.00 0.00 O ATOM 277 CB ASN A 31 2.067 7.107 -2.730 1.00 0.00 C ATOM 278 CG ASN A 31 3.153 8.064 -3.179 1.00 0.00 C ATOM 279 OD1 ASN A 31 3.107 9.259 -2.896 1.00 0.00 O ATOM 280 ND2 ASN A 31 4.132 7.546 -3.899 1.00 0.00 N ATOM 0 H ASN A 31 3.241 6.894 -0.560 1.00 0.00 H new ATOM 0 HA ASN A 31 1.163 8.562 -1.428 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.491 6.107 -2.635 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.297 7.056 -3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.885 8.143 -4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.135 6.549 -4.113 1.00 0.00 H new ATOM 287 N ALA A 32 0.328 5.491 -0.653 1.00 0.00 N ATOM 288 CA ALA A 32 -0.784 4.598 -0.388 1.00 0.00 C ATOM 289 C ALA A 32 -1.603 5.083 0.795 1.00 0.00 C ATOM 290 O ALA A 32 -2.826 5.111 0.733 1.00 0.00 O ATOM 291 CB ALA A 32 -0.280 3.190 -0.151 1.00 0.00 C ATOM 0 H ALA A 32 1.238 5.118 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.435 4.592 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.124 2.530 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.254 2.841 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.394 3.184 0.706 1.00 0.00 H new ATOM 297 N VAL A 33 -0.922 5.486 1.862 1.00 0.00 N ATOM 298 CA VAL A 33 -1.592 5.959 3.067 1.00 0.00 C ATOM 299 C VAL A 33 -2.441 7.187 2.756 1.00 0.00 C ATOM 300 O VAL A 33 -3.587 7.286 3.195 1.00 0.00 O ATOM 301 CB VAL A 33 -0.578 6.300 4.189 1.00 0.00 C ATOM 302 CG1 VAL A 33 -1.269 6.961 5.375 1.00 0.00 C ATOM 303 CG2 VAL A 33 0.156 5.048 4.644 1.00 0.00 C ATOM 0 H VAL A 33 0.097 5.494 1.917 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.234 5.152 3.421 1.00 0.00 H new ATOM 0 HB VAL A 33 0.145 7.005 3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.532 7.188 6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.749 7.884 5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.021 6.285 5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.863 5.307 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.563 4.323 5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.694 4.615 3.801 1.00 0.00 H new ATOM 313 N GLU A 34 -1.889 8.102 1.971 1.00 0.00 N ATOM 314 CA GLU A 34 -2.604 9.316 1.603 1.00 0.00 C ATOM 315 C GLU A 34 -3.784 8.991 0.685 1.00 0.00 C ATOM 316 O GLU A 34 -4.831 9.638 0.750 1.00 0.00 O ATOM 317 CB GLU A 34 -1.652 10.313 0.932 1.00 0.00 C ATOM 318 CG GLU A 34 -1.191 9.903 -0.453 1.00 0.00 C ATOM 319 CD GLU A 34 -0.327 10.951 -1.110 1.00 0.00 C ATOM 320 OE1 GLU A 34 -0.850 11.706 -1.956 1.00 0.00 O ATOM 321 OE2 GLU A 34 0.875 11.029 -0.789 1.00 0.00 O ATOM 0 H GLU A 34 -0.951 8.027 1.578 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.998 9.774 2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.148 11.281 0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.777 10.446 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.634 8.969 -0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.062 9.710 -1.080 1.00 0.00 H new ATOM 328 N PHE A 35 -3.609 7.985 -0.167 1.00 0.00 N ATOM 329 CA PHE A 35 -4.659 7.562 -1.086 1.00 0.00 C ATOM 330 C PHE A 35 -5.770 6.831 -0.335 1.00 0.00 C ATOM 331 O PHE A 35 -6.949 7.088 -0.549 1.00 0.00 O ATOM 332 CB PHE A 35 -4.060 6.658 -2.172 1.00 0.00 C ATOM 333 CG PHE A 35 -5.049 6.172 -3.193 1.00 0.00 C ATOM 334 CD1 PHE A 35 -5.479 7.008 -4.212 1.00 0.00 C ATOM 335 CD2 PHE A 35 -5.539 4.877 -3.142 1.00 0.00 C ATOM 336 CE1 PHE A 35 -6.381 6.560 -5.159 1.00 0.00 C ATOM 337 CE2 PHE A 35 -6.441 4.424 -4.084 1.00 0.00 C ATOM 338 CZ PHE A 35 -6.862 5.266 -5.095 1.00 0.00 C ATOM 0 H PHE A 35 -2.746 7.446 -0.239 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.094 8.444 -1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.267 7.203 -2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.597 5.795 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.105 8.020 -4.267 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.211 4.214 -2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.709 7.220 -5.948 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.817 3.413 -4.031 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.566 4.914 -5.834 1.00 0.00 H new ATOM 348 N LEU A 36 -5.379 5.952 0.574 1.00 0.00 N ATOM 349 CA LEU A 36 -6.330 5.165 1.348 1.00 0.00 C ATOM 350 C LEU A 36 -7.114 6.040 2.317 1.00 0.00 C ATOM 351 O LEU A 36 -8.279 5.773 2.616 1.00 0.00 O ATOM 352 CB LEU A 36 -5.593 4.074 2.114 1.00 0.00 C ATOM 353 CG LEU A 36 -4.922 3.007 1.251 1.00 0.00 C ATOM 354 CD1 LEU A 36 -4.157 2.026 2.122 1.00 0.00 C ATOM 355 CD2 LEU A 36 -5.952 2.279 0.404 1.00 0.00 C ATOM 0 H LEU A 36 -4.401 5.764 0.796 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.039 4.711 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.833 4.543 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.299 3.584 2.784 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.216 3.498 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.685 1.272 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.392 2.560 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.845 1.541 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.455 1.523 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.684 1.799 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.458 2.992 -0.247 1.00 0.00 H new ATOM 367 N LEU A 37 -6.466 7.087 2.805 1.00 0.00 N ATOM 368 CA LEU A 37 -7.085 7.998 3.754 1.00 0.00 C ATOM 369 C LEU A 37 -7.869 9.088 3.046 1.00 0.00 C ATOM 370 O LEU A 37 -8.356 10.022 3.681 1.00 0.00 O ATOM 371 CB LEU A 37 -6.029 8.635 4.659 1.00 0.00 C ATOM 372 CG LEU A 37 -5.719 7.858 5.934 1.00 0.00 C ATOM 373 CD1 LEU A 37 -4.575 8.508 6.693 1.00 0.00 C ATOM 374 CD2 LEU A 37 -6.963 7.782 6.803 1.00 0.00 C ATOM 0 H LEU A 37 -5.506 7.327 2.557 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.776 7.413 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.107 8.752 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.363 9.636 4.933 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.413 6.847 5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.370 7.938 7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.684 8.524 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.849 9.529 6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.738 7.226 7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.287 8.790 7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.758 7.276 6.256 1.00 0.00 H new ATOM 386 N ASP A 38 -7.997 8.975 1.738 1.00 0.00 N ATOM 387 CA ASP A 38 -8.731 9.967 0.976 1.00 0.00 C ATOM 388 C ASP A 38 -10.224 9.684 1.061 1.00 0.00 C ATOM 389 O ASP A 38 -10.649 8.539 0.909 1.00 0.00 O ATOM 390 CB ASP A 38 -8.288 9.962 -0.485 1.00 0.00 C ATOM 391 CG ASP A 38 -8.718 11.209 -1.228 1.00 0.00 C ATOM 392 OD1 ASP A 38 -7.847 12.059 -1.519 1.00 0.00 O ATOM 393 OD2 ASP A 38 -9.925 11.355 -1.518 1.00 0.00 O ATOM 0 H ASP A 38 -7.606 8.213 1.184 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.523 10.950 1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.203 9.872 -0.531 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.702 9.086 -0.983 1.00 0.00 H new ATOM 398 N SER A 39 -11.012 10.725 1.295 1.00 0.00 N ATOM 399 CA SER A 39 -12.456 10.588 1.452 1.00 0.00 C ATOM 400 C SER A 39 -13.096 9.919 0.235 1.00 0.00 C ATOM 401 O SER A 39 -14.077 9.185 0.364 1.00 0.00 O ATOM 402 CB SER A 39 -13.075 11.965 1.689 1.00 0.00 C ATOM 403 OG SER A 39 -12.628 12.895 0.716 1.00 0.00 O ATOM 0 H SER A 39 -10.672 11.683 1.381 1.00 0.00 H new ATOM 0 HA SER A 39 -12.647 9.947 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.162 11.890 1.654 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.812 12.320 2.685 1.00 0.00 H new ATOM 0 HG SER A 39 -13.038 13.769 0.886 1.00 0.00 H new ATOM 409 N ARG A 40 -12.529 10.168 -0.940 1.00 0.00 N ATOM 410 CA ARG A 40 -13.026 9.576 -2.176 1.00 0.00 C ATOM 411 C ARG A 40 -12.780 8.070 -2.186 1.00 0.00 C ATOM 412 O ARG A 40 -13.656 7.285 -2.545 1.00 0.00 O ATOM 413 CB ARG A 40 -12.336 10.223 -3.378 1.00 0.00 C ATOM 414 CG ARG A 40 -12.643 11.703 -3.536 1.00 0.00 C ATOM 415 CD ARG A 40 -11.681 12.371 -4.504 1.00 0.00 C ATOM 416 NE ARG A 40 -10.314 12.385 -3.986 1.00 0.00 N ATOM 417 CZ ARG A 40 -9.256 12.810 -4.674 1.00 0.00 C ATOM 418 NH1 ARG A 40 -9.390 13.201 -5.935 1.00 0.00 N ATOM 419 NH2 ARG A 40 -8.059 12.832 -4.103 1.00 0.00 N ATOM 0 H ARG A 40 -11.721 10.779 -1.062 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.100 9.754 -2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.258 10.093 -3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.639 9.699 -4.285 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.665 11.827 -3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.583 12.194 -2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.703 11.846 -5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.008 13.393 -4.695 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.161 12.047 -3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.307 13.177 -6.382 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.576 13.526 -6.457 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.949 12.523 -3.137 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.249 13.157 -4.630 1.00 0.00 H new ATOM 433 N VAL A 41 -11.591 7.681 -1.752 1.00 0.00 N ATOM 434 CA VAL A 41 -11.171 6.286 -1.791 1.00 0.00 C ATOM 435 C VAL A 41 -11.802 5.490 -0.649 1.00 0.00 C ATOM 436 O VAL A 41 -11.971 4.273 -0.735 1.00 0.00 O ATOM 437 CB VAL A 41 -9.636 6.183 -1.734 1.00 0.00 C ATOM 438 CG1 VAL A 41 -9.173 4.735 -1.802 1.00 0.00 C ATOM 439 CG2 VAL A 41 -9.023 6.995 -2.865 1.00 0.00 C ATOM 0 H VAL A 41 -10.894 8.317 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.515 5.857 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.301 6.589 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.084 4.699 -1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.588 4.180 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.515 4.287 -2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.937 6.919 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.375 6.609 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.318 8.040 -2.764 1.00 0.00 H new ATOM 449 N ARG A 42 -12.173 6.182 0.418 1.00 0.00 N ATOM 450 CA ARG A 42 -12.909 5.553 1.512 1.00 0.00 C ATOM 451 C ARG A 42 -14.243 5.005 1.009 1.00 0.00 C ATOM 452 O ARG A 42 -14.837 4.122 1.627 1.00 0.00 O ATOM 453 CB ARG A 42 -13.174 6.545 2.643 1.00 0.00 C ATOM 454 CG ARG A 42 -11.922 7.139 3.258 1.00 0.00 C ATOM 455 CD ARG A 42 -12.276 8.126 4.355 1.00 0.00 C ATOM 456 NE ARG A 42 -11.153 8.984 4.715 1.00 0.00 N ATOM 457 CZ ARG A 42 -11.289 10.176 5.292 1.00 0.00 C ATOM 458 NH1 ARG A 42 -12.497 10.643 5.577 1.00 0.00 N ATOM 459 NH2 ARG A 42 -10.221 10.904 5.574 1.00 0.00 N ATOM 0 H ARG A 42 -11.979 7.174 0.552 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.295 4.737 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.797 7.354 2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.746 6.043 3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.299 6.343 3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.335 7.640 2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.112 8.744 4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.610 7.580 5.237 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.210 8.652 4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.324 10.089 5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.599 11.556 6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.290 10.552 5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.328 11.817 6.016 1.00 0.00 H new ATOM 473 N ARG A 43 -14.707 5.546 -0.110 1.00 0.00 N ATOM 474 CA ARG A 43 -15.994 5.171 -0.675 1.00 0.00 C ATOM 475 C ARG A 43 -15.869 3.933 -1.568 1.00 0.00 C ATOM 476 O ARG A 43 -16.858 3.248 -1.836 1.00 0.00 O ATOM 477 CB ARG A 43 -16.552 6.353 -1.472 1.00 0.00 C ATOM 478 CG ARG A 43 -17.939 6.128 -2.038 1.00 0.00 C ATOM 479 CD ARG A 43 -18.439 7.362 -2.763 1.00 0.00 C ATOM 480 NE ARG A 43 -19.778 7.169 -3.313 1.00 0.00 N ATOM 481 CZ ARG A 43 -20.677 8.142 -3.445 1.00 0.00 C ATOM 482 NH1 ARG A 43 -20.381 9.383 -3.073 1.00 0.00 N ATOM 483 NH2 ARG A 43 -21.870 7.876 -3.957 1.00 0.00 N ATOM 0 H ARG A 43 -14.205 6.252 -0.648 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.677 4.920 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.574 7.232 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.870 6.576 -2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.922 5.281 -2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -18.627 5.872 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -18.448 8.208 -2.075 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.749 7.614 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 43 -20.041 6.231 -3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -19.462 9.593 -2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -21.073 10.125 -3.176 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -22.099 6.926 -4.250 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -22.559 8.621 -4.058 1.00 0.00 H new ATOM 497 N THR A 44 -14.653 3.630 -2.006 1.00 0.00 N ATOM 498 CA THR A 44 -14.419 2.470 -2.850 1.00 0.00 C ATOM 499 C THR A 44 -14.153 1.223 -2.011 1.00 0.00 C ATOM 500 O THR A 44 -13.738 1.326 -0.855 1.00 0.00 O ATOM 501 CB THR A 44 -13.234 2.704 -3.809 1.00 0.00 C ATOM 502 OG1 THR A 44 -12.108 3.230 -3.101 1.00 0.00 O ATOM 503 CG2 THR A 44 -13.618 3.651 -4.935 1.00 0.00 C ATOM 0 H THR A 44 -13.816 4.172 -1.790 1.00 0.00 H new ATOM 0 HA THR A 44 -15.324 2.316 -3.439 1.00 0.00 H new ATOM 0 HB THR A 44 -12.966 1.740 -4.241 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.289 3.210 -2.138 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.763 3.797 -5.595 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.446 3.225 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.921 4.611 -4.516 1.00 0.00 H new ATOM 511 N PRO A 45 -14.408 0.028 -2.572 1.00 0.00 N ATOM 512 CA PRO A 45 -14.129 -1.240 -1.896 1.00 0.00 C ATOM 513 C PRO A 45 -12.632 -1.466 -1.697 1.00 0.00 C ATOM 514 O PRO A 45 -11.807 -0.913 -2.430 1.00 0.00 O ATOM 515 CB PRO A 45 -14.713 -2.294 -2.843 1.00 0.00 C ATOM 516 CG PRO A 45 -14.745 -1.633 -4.175 1.00 0.00 C ATOM 517 CD PRO A 45 -15.002 -0.179 -3.905 1.00 0.00 C ATOM 0 HA PRO A 45 -14.560 -1.272 -0.895 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.097 -3.193 -2.862 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.711 -2.598 -2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.802 -1.772 -4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.527 -2.058 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.536 0.458 -4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.068 0.049 -3.910 1.00 0.00 H new ATOM 525 N THR A 46 -12.291 -2.285 -0.712 1.00 0.00 N ATOM 526 CA THR A 46 -10.900 -2.538 -0.360 1.00 0.00 C ATOM 527 C THR A 46 -10.127 -3.136 -1.532 1.00 0.00 C ATOM 528 O THR A 46 -8.978 -2.774 -1.777 1.00 0.00 O ATOM 529 CB THR A 46 -10.812 -3.505 0.826 1.00 0.00 C ATOM 530 OG1 THR A 46 -11.864 -3.223 1.758 1.00 0.00 O ATOM 531 CG2 THR A 46 -9.471 -3.386 1.530 1.00 0.00 C ATOM 0 H THR A 46 -12.966 -2.790 -0.137 1.00 0.00 H new ATOM 0 HA THR A 46 -10.458 -1.578 -0.093 1.00 0.00 H new ATOM 0 HB THR A 46 -10.915 -4.521 0.445 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.806 -3.844 2.514 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.436 -4.083 2.367 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.670 -3.621 0.829 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.343 -2.369 1.900 1.00 0.00 H new ATOM 539 N SER A 47 -10.772 -4.043 -2.257 1.00 0.00 N ATOM 540 CA SER A 47 -10.137 -4.726 -3.375 1.00 0.00 C ATOM 541 C SER A 47 -9.656 -3.728 -4.424 1.00 0.00 C ATOM 542 O SER A 47 -8.578 -3.890 -4.996 1.00 0.00 O ATOM 543 CB SER A 47 -11.115 -5.724 -3.995 1.00 0.00 C ATOM 544 OG SER A 47 -11.691 -6.548 -2.994 1.00 0.00 O ATOM 0 H SER A 47 -11.738 -4.322 -2.088 1.00 0.00 H new ATOM 0 HA SER A 47 -9.266 -5.265 -3.003 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.900 -5.188 -4.528 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.596 -6.342 -4.728 1.00 0.00 H new ATOM 0 HG SER A 47 -12.315 -7.179 -3.409 1.00 0.00 H new ATOM 550 N SER A 48 -10.447 -2.686 -4.650 1.00 0.00 N ATOM 551 CA SER A 48 -10.081 -1.635 -5.574 1.00 0.00 C ATOM 552 C SER A 48 -8.864 -0.878 -5.069 1.00 0.00 C ATOM 553 O SER A 48 -7.925 -0.623 -5.822 1.00 0.00 O ATOM 554 CB SER A 48 -11.254 -0.685 -5.750 1.00 0.00 C ATOM 555 OG SER A 48 -12.357 -1.349 -6.346 1.00 0.00 O ATOM 0 H SER A 48 -11.352 -2.552 -4.199 1.00 0.00 H new ATOM 0 HA SER A 48 -9.829 -2.081 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.548 -0.280 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.954 0.159 -6.371 1.00 0.00 H new ATOM 0 HG SER A 48 -13.117 -0.733 -6.405 1.00 0.00 H new ATOM 561 N LYS A 49 -8.880 -0.546 -3.784 1.00 0.00 N ATOM 562 CA LYS A 49 -7.771 0.161 -3.158 1.00 0.00 C ATOM 563 C LYS A 49 -6.482 -0.633 -3.329 1.00 0.00 C ATOM 564 O LYS A 49 -5.461 -0.097 -3.754 1.00 0.00 O ATOM 565 CB LYS A 49 -8.039 0.361 -1.667 1.00 0.00 C ATOM 566 CG LYS A 49 -9.378 1.001 -1.349 1.00 0.00 C ATOM 567 CD LYS A 49 -9.591 1.116 0.153 1.00 0.00 C ATOM 568 CE LYS A 49 -11.038 1.425 0.481 1.00 0.00 C ATOM 569 NZ LYS A 49 -11.284 1.507 1.947 1.00 0.00 N ATOM 0 H LYS A 49 -9.653 -0.757 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.670 1.134 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.985 -0.607 -1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.246 0.980 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.428 1.991 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.181 0.408 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.297 0.184 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.949 1.900 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.319 2.369 0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.678 0.654 0.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.287 1.720 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.042 0.598 2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.695 2.260 2.356 1.00 0.00 H new ATOM 583 N VAL A 50 -6.552 -1.923 -3.017 1.00 0.00 N ATOM 584 CA VAL A 50 -5.378 -2.792 -3.081 1.00 0.00 C ATOM 585 C VAL A 50 -4.858 -2.914 -4.514 1.00 0.00 C ATOM 586 O VAL A 50 -3.657 -2.799 -4.762 1.00 0.00 O ATOM 587 CB VAL A 50 -5.685 -4.202 -2.531 1.00 0.00 C ATOM 588 CG1 VAL A 50 -4.450 -5.086 -2.591 1.00 0.00 C ATOM 589 CG2 VAL A 50 -6.208 -4.123 -1.106 1.00 0.00 C ATOM 0 H VAL A 50 -7.407 -2.391 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.611 -2.330 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.458 -4.646 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.690 -6.074 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.118 -5.177 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.655 -4.641 -1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.418 -5.128 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.459 -3.653 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.123 -3.532 -1.087 1.00 0.00 H new ATOM 599 N HIS A 51 -5.768 -3.137 -5.454 1.00 0.00 N ATOM 600 CA HIS A 51 -5.398 -3.288 -6.859 1.00 0.00 C ATOM 601 C HIS A 51 -4.805 -1.994 -7.405 1.00 0.00 C ATOM 602 O HIS A 51 -3.835 -2.018 -8.165 1.00 0.00 O ATOM 603 CB HIS A 51 -6.610 -3.701 -7.702 1.00 0.00 C ATOM 604 CG HIS A 51 -7.014 -5.137 -7.540 1.00 0.00 C ATOM 605 ND1 HIS A 51 -7.700 -5.834 -8.510 1.00 0.00 N ATOM 606 CD2 HIS A 51 -6.836 -6.006 -6.515 1.00 0.00 C ATOM 607 CE1 HIS A 51 -7.928 -7.065 -8.091 1.00 0.00 C ATOM 608 NE2 HIS A 51 -7.413 -7.195 -6.885 1.00 0.00 N ATOM 0 H HIS A 51 -6.768 -3.218 -5.271 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.645 -4.073 -6.921 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -7.455 -3.066 -7.437 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.388 -3.515 -8.753 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.334 -5.801 -5.581 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.448 -7.834 -8.643 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.439 -8.043 -6.318 1.00 0.00 H new ATOM 617 N PHE A 52 -5.382 -0.869 -7.001 1.00 0.00 N ATOM 618 CA PHE A 52 -4.905 0.432 -7.443 1.00 0.00 C ATOM 619 C PHE A 52 -3.507 0.693 -6.891 1.00 0.00 C ATOM 620 O PHE A 52 -2.624 1.170 -7.606 1.00 0.00 O ATOM 621 CB PHE A 52 -5.868 1.536 -6.999 1.00 0.00 C ATOM 622 CG PHE A 52 -5.635 2.856 -7.680 1.00 0.00 C ATOM 623 CD1 PHE A 52 -4.678 3.739 -7.208 1.00 0.00 C ATOM 624 CD2 PHE A 52 -6.380 3.216 -8.792 1.00 0.00 C ATOM 625 CE1 PHE A 52 -4.465 4.953 -7.832 1.00 0.00 C ATOM 626 CE2 PHE A 52 -6.172 4.429 -9.420 1.00 0.00 C ATOM 627 CZ PHE A 52 -5.214 5.298 -8.938 1.00 0.00 C ATOM 0 H PHE A 52 -6.181 -0.833 -6.368 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.859 0.435 -8.532 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.891 1.213 -7.194 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.777 1.673 -5.921 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.091 3.475 -6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.132 2.540 -9.172 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.714 5.631 -7.455 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.758 4.697 -10.287 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.051 6.247 -9.426 1.00 0.00 H new ATOM 637 N LEU A 53 -3.300 0.358 -5.623 1.00 0.00 N ATOM 638 CA LEU A 53 -1.999 0.539 -4.994 1.00 0.00 C ATOM 639 C LEU A 53 -0.947 -0.334 -5.666 1.00 0.00 C ATOM 640 O LEU A 53 0.210 0.067 -5.791 1.00 0.00 O ATOM 641 CB LEU A 53 -2.063 0.228 -3.499 1.00 0.00 C ATOM 642 CG LEU A 53 -2.961 1.156 -2.678 1.00 0.00 C ATOM 643 CD1 LEU A 53 -2.869 0.814 -1.202 1.00 0.00 C ATOM 644 CD2 LEU A 53 -2.597 2.614 -2.916 1.00 0.00 C ATOM 0 H LEU A 53 -4.014 -0.039 -5.013 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.715 1.584 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.414 -0.796 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.053 0.272 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.991 1.009 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.514 1.483 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.188 -0.217 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.839 0.929 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.249 3.254 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.560 2.782 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.720 2.852 -3.973 1.00 0.00 H new ATOM 656 N LYS A 54 -1.350 -1.520 -6.111 1.00 0.00 N ATOM 657 CA LYS A 54 -0.437 -2.407 -6.819 1.00 0.00 C ATOM 658 C LYS A 54 0.064 -1.738 -8.097 1.00 0.00 C ATOM 659 O LYS A 54 1.259 -1.767 -8.398 1.00 0.00 O ATOM 660 CB LYS A 54 -1.121 -3.730 -7.178 1.00 0.00 C ATOM 661 CG LYS A 54 -0.180 -4.723 -7.846 1.00 0.00 C ATOM 662 CD LYS A 54 -0.917 -5.879 -8.504 1.00 0.00 C ATOM 663 CE LYS A 54 -1.794 -5.406 -9.654 1.00 0.00 C ATOM 664 NZ LYS A 54 -2.371 -6.541 -10.417 1.00 0.00 N ATOM 0 H LYS A 54 -2.295 -1.886 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 54 0.405 -2.614 -6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.531 -4.178 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.961 -3.530 -7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.416 -4.204 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.514 -5.116 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.195 -6.608 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.533 -6.387 -7.762 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.600 -4.785 -9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.206 -4.780 -10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.961 -6.175 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.603 -7.120 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.954 -7.125 -9.783 1.00 0.00 H new ATOM 678 N SER A 55 -0.854 -1.114 -8.831 1.00 0.00 N ATOM 679 CA SER A 55 -0.516 -0.435 -10.071 1.00 0.00 C ATOM 680 C SER A 55 0.255 0.862 -9.809 1.00 0.00 C ATOM 681 O SER A 55 0.828 1.450 -10.725 1.00 0.00 O ATOM 682 CB SER A 55 -1.782 -0.172 -10.891 1.00 0.00 C ATOM 683 OG SER A 55 -2.816 0.407 -10.109 1.00 0.00 O ATOM 0 H SER A 55 -1.842 -1.067 -8.583 1.00 0.00 H new ATOM 0 HA SER A 55 0.140 -1.086 -10.648 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.543 0.491 -11.723 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.135 -1.109 -11.321 1.00 0.00 H new ATOM 0 HG SER A 55 -2.434 0.784 -9.289 1.00 0.00 H new ATOM 689 N LYS A 56 0.263 1.304 -8.554 1.00 0.00 N ATOM 690 CA LYS A 56 1.013 2.488 -8.163 1.00 0.00 C ATOM 691 C LYS A 56 2.481 2.150 -7.928 1.00 0.00 C ATOM 692 O LYS A 56 3.274 3.011 -7.551 1.00 0.00 O ATOM 693 CB LYS A 56 0.422 3.097 -6.895 1.00 0.00 C ATOM 694 CG LYS A 56 -0.890 3.831 -7.113 1.00 0.00 C ATOM 695 CD LYS A 56 -1.360 4.528 -5.845 1.00 0.00 C ATOM 696 CE LYS A 56 -0.443 5.682 -5.458 1.00 0.00 C ATOM 697 NZ LYS A 56 -0.406 6.740 -6.502 1.00 0.00 N ATOM 0 H LYS A 56 -0.244 0.856 -7.790 1.00 0.00 H new ATOM 0 HA LYS A 56 0.945 3.210 -8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.265 2.305 -6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.146 3.789 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.768 4.566 -7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.652 3.125 -7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.373 4.903 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.401 3.807 -5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.782 6.114 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.565 5.303 -5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.003 7.610 -6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.182 6.421 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.372 6.929 -6.839 1.00 0.00 H new ATOM 711 N GLY A 57 2.830 0.889 -8.137 1.00 0.00 N ATOM 712 CA GLY A 57 4.204 0.469 -7.981 1.00 0.00 C ATOM 713 C GLY A 57 4.485 -0.078 -6.600 1.00 0.00 C ATOM 714 O GLY A 57 5.640 -0.226 -6.211 1.00 0.00 O ATOM 0 H GLY A 57 2.184 0.149 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.435 -0.293 -8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.864 1.314 -8.175 1.00 0.00 H new ATOM 718 N LEU A 58 3.432 -0.373 -5.855 1.00 0.00 N ATOM 719 CA LEU A 58 3.584 -0.920 -4.517 1.00 0.00 C ATOM 720 C LEU A 58 3.595 -2.434 -4.532 1.00 0.00 C ATOM 721 O LEU A 58 2.946 -3.065 -5.367 1.00 0.00 O ATOM 722 CB LEU A 58 2.467 -0.454 -3.591 1.00 0.00 C ATOM 723 CG LEU A 58 2.717 0.865 -2.876 1.00 0.00 C ATOM 724 CD1 LEU A 58 2.426 2.047 -3.787 1.00 0.00 C ATOM 725 CD2 LEU A 58 1.886 0.924 -1.610 1.00 0.00 C ATOM 0 H LEU A 58 2.465 -0.243 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 58 4.541 -0.554 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.550 -0.364 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.294 -1.226 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 58 3.771 0.924 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.614 2.976 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.072 1.999 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.383 2.015 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.067 1.870 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.829 0.845 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.163 0.099 -0.954 1.00 0.00 H new ATOM 737 N SER A 59 4.338 -3.002 -3.602 1.00 0.00 N ATOM 738 CA SER A 59 4.342 -4.434 -3.395 1.00 0.00 C ATOM 739 C SER A 59 3.311 -4.784 -2.331 1.00 0.00 C ATOM 740 O SER A 59 2.747 -3.888 -1.697 1.00 0.00 O ATOM 741 CB SER A 59 5.722 -4.878 -2.935 1.00 0.00 C ATOM 742 OG SER A 59 6.742 -4.185 -3.633 1.00 0.00 O ATOM 0 H SER A 59 4.952 -2.486 -2.972 1.00 0.00 H new ATOM 0 HA SER A 59 4.095 -4.942 -4.327 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.826 -4.701 -1.864 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.833 -5.951 -3.093 1.00 0.00 H new ATOM 0 HG SER A 59 7.071 -3.444 -3.082 1.00 0.00 H new ATOM 748 N ALA A 60 3.084 -6.071 -2.114 1.00 0.00 N ATOM 749 CA ALA A 60 2.116 -6.514 -1.122 1.00 0.00 C ATOM 750 C ALA A 60 2.488 -6.011 0.272 1.00 0.00 C ATOM 751 O ALA A 60 1.617 -5.659 1.066 1.00 0.00 O ATOM 752 CB ALA A 60 2.007 -8.032 -1.130 1.00 0.00 C ATOM 0 H ALA A 60 3.556 -6.826 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 60 1.145 -6.092 -1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.279 -8.348 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.685 -8.368 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.979 -8.468 -0.897 1.00 0.00 H new ATOM 758 N GLU A 61 3.786 -5.961 0.552 1.00 0.00 N ATOM 759 CA GLU A 61 4.275 -5.515 1.852 1.00 0.00 C ATOM 760 C GLU A 61 3.969 -4.039 2.071 1.00 0.00 C ATOM 761 O GLU A 61 3.497 -3.647 3.142 1.00 0.00 O ATOM 762 CB GLU A 61 5.782 -5.755 1.991 1.00 0.00 C ATOM 763 CG GLU A 61 6.200 -7.214 1.862 1.00 0.00 C ATOM 764 CD GLU A 61 6.432 -7.648 0.428 1.00 0.00 C ATOM 765 OE1 GLU A 61 6.015 -6.923 -0.501 1.00 0.00 O ATOM 766 OE2 GLU A 61 7.043 -8.719 0.222 1.00 0.00 O ATOM 0 H GLU A 61 4.520 -6.224 -0.105 1.00 0.00 H new ATOM 0 HA GLU A 61 3.758 -6.101 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.302 -5.172 1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.110 -5.380 2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.113 -7.375 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.430 -7.846 2.305 1.00 0.00 H new ATOM 773 N GLU A 62 4.228 -3.227 1.050 1.00 0.00 N ATOM 774 CA GLU A 62 3.977 -1.791 1.134 1.00 0.00 C ATOM 775 C GLU A 62 2.490 -1.519 1.332 1.00 0.00 C ATOM 776 O GLU A 62 2.104 -0.689 2.155 1.00 0.00 O ATOM 777 CB GLU A 62 4.477 -1.062 -0.121 1.00 0.00 C ATOM 778 CG GLU A 62 5.985 -0.850 -0.173 1.00 0.00 C ATOM 779 CD GLU A 62 6.767 -2.131 -0.358 1.00 0.00 C ATOM 780 OE1 GLU A 62 6.928 -2.569 -1.512 1.00 0.00 O ATOM 781 OE2 GLU A 62 7.230 -2.703 0.649 1.00 0.00 O ATOM 0 H GLU A 62 4.611 -3.537 0.157 1.00 0.00 H new ATOM 0 HA GLU A 62 4.528 -1.410 1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.173 -1.630 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.985 -0.091 -0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.220 -0.168 -0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.308 -0.366 0.749 1.00 0.00 H new ATOM 788 N ILE A 63 1.662 -2.240 0.584 1.00 0.00 N ATOM 789 CA ILE A 63 0.215 -2.098 0.681 1.00 0.00 C ATOM 790 C ILE A 63 -0.274 -2.495 2.076 1.00 0.00 C ATOM 791 O ILE A 63 -1.078 -1.791 2.689 1.00 0.00 O ATOM 792 CB ILE A 63 -0.498 -2.963 -0.381 1.00 0.00 C ATOM 793 CG1 ILE A 63 -0.026 -2.577 -1.785 1.00 0.00 C ATOM 794 CG2 ILE A 63 -2.007 -2.808 -0.269 1.00 0.00 C ATOM 795 CD1 ILE A 63 -0.532 -3.499 -2.874 1.00 0.00 C ATOM 0 H ILE A 63 1.971 -2.932 -0.099 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.027 -1.050 0.502 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.244 -4.008 -0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.353 -1.560 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.064 -2.572 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.493 -3.425 -1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.333 -3.125 0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.278 -1.764 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.156 -3.162 -3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.183 -4.514 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.622 -3.486 -2.884 1.00 0.00 H new ATOM 807 N CYS A 64 0.239 -3.616 2.572 1.00 0.00 N ATOM 808 CA CYS A 64 -0.127 -4.128 3.888 1.00 0.00 C ATOM 809 C CYS A 64 0.165 -3.103 4.980 1.00 0.00 C ATOM 810 O CYS A 64 -0.665 -2.861 5.863 1.00 0.00 O ATOM 811 CB CYS A 64 0.633 -5.427 4.172 1.00 0.00 C ATOM 812 SG CYS A 64 0.314 -6.137 5.804 1.00 0.00 S ATOM 0 H CYS A 64 0.918 -4.193 2.075 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.199 -4.327 3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.369 -6.162 3.412 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.702 -5.237 4.074 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.968 -6.249 5.985 1.00 0.00 H new ATOM 818 N GLU A 65 1.342 -2.496 4.910 1.00 0.00 N ATOM 819 CA GLU A 65 1.753 -1.519 5.895 1.00 0.00 C ATOM 820 C GLU A 65 0.891 -0.265 5.799 1.00 0.00 C ATOM 821 O GLU A 65 0.369 0.211 6.805 1.00 0.00 O ATOM 822 CB GLU A 65 3.232 -1.185 5.710 1.00 0.00 C ATOM 823 CG GLU A 65 3.698 -0.009 6.538 1.00 0.00 C ATOM 824 CD GLU A 65 5.205 0.146 6.542 1.00 0.00 C ATOM 825 OE1 GLU A 65 5.818 0.093 5.457 1.00 0.00 O ATOM 826 OE2 GLU A 65 5.785 0.326 7.635 1.00 0.00 O ATOM 0 H GLU A 65 2.028 -2.668 4.175 1.00 0.00 H new ATOM 0 HA GLU A 65 1.616 -1.940 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.828 -2.060 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.419 -0.973 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.245 0.904 6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.347 -0.130 7.563 1.00 0.00 H new ATOM 833 N ALA A 66 0.709 0.236 4.579 1.00 0.00 N ATOM 834 CA ALA A 66 -0.073 1.445 4.353 1.00 0.00 C ATOM 835 C ALA A 66 -1.481 1.298 4.905 1.00 0.00 C ATOM 836 O ALA A 66 -1.982 2.192 5.586 1.00 0.00 O ATOM 837 CB ALA A 66 -0.127 1.767 2.872 1.00 0.00 C ATOM 0 H ALA A 66 1.094 -0.179 3.731 1.00 0.00 H new ATOM 0 HA ALA A 66 0.416 2.265 4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.714 2.672 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.884 1.922 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.590 0.938 2.336 1.00 0.00 H new ATOM 843 N PHE A 67 -2.103 0.159 4.629 1.00 0.00 N ATOM 844 CA PHE A 67 -3.444 -0.115 5.123 1.00 0.00 C ATOM 845 C PHE A 67 -3.496 -0.043 6.641 1.00 0.00 C ATOM 846 O PHE A 67 -4.421 0.531 7.213 1.00 0.00 O ATOM 847 CB PHE A 67 -3.924 -1.487 4.651 1.00 0.00 C ATOM 848 CG PHE A 67 -4.826 -1.414 3.455 1.00 0.00 C ATOM 849 CD1 PHE A 67 -4.330 -1.575 2.174 1.00 0.00 C ATOM 850 CD2 PHE A 67 -6.179 -1.170 3.618 1.00 0.00 C ATOM 851 CE1 PHE A 67 -5.169 -1.494 1.077 1.00 0.00 C ATOM 852 CE2 PHE A 67 -7.021 -1.089 2.530 1.00 0.00 C ATOM 853 CZ PHE A 67 -6.517 -1.251 1.258 1.00 0.00 C ATOM 0 H PHE A 67 -1.699 -0.589 4.066 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.107 0.650 4.719 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.059 -2.105 4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.451 -1.982 5.467 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.277 -1.766 2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.580 -1.041 4.612 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.771 -1.620 0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.074 -0.899 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.175 -1.188 0.404 1.00 0.00 H new ATOM 863 N THR A 68 -2.493 -0.594 7.292 1.00 0.00 N ATOM 864 CA THR A 68 -2.477 -0.632 8.739 1.00 0.00 C ATOM 865 C THR A 68 -2.338 0.775 9.306 1.00 0.00 C ATOM 866 O THR A 68 -2.906 1.101 10.348 1.00 0.00 O ATOM 867 CB THR A 68 -1.345 -1.533 9.250 1.00 0.00 C ATOM 868 OG1 THR A 68 -1.369 -2.785 8.546 1.00 0.00 O ATOM 869 CG2 THR A 68 -1.488 -1.788 10.743 1.00 0.00 C ATOM 0 H THR A 68 -1.681 -1.020 6.844 1.00 0.00 H new ATOM 0 HA THR A 68 -3.424 -1.052 9.080 1.00 0.00 H new ATOM 0 HB THR A 68 -0.396 -1.027 9.073 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.007 -2.660 7.644 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.674 -2.429 11.082 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.451 -0.840 11.279 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.442 -2.278 10.939 1.00 0.00 H new ATOM 877 N LYS A 69 -1.614 1.613 8.588 1.00 0.00 N ATOM 878 CA LYS A 69 -1.388 2.981 9.007 1.00 0.00 C ATOM 879 C LYS A 69 -2.642 3.839 8.858 1.00 0.00 C ATOM 880 O LYS A 69 -2.842 4.794 9.611 1.00 0.00 O ATOM 881 CB LYS A 69 -0.245 3.567 8.197 1.00 0.00 C ATOM 882 CG LYS A 69 1.002 2.705 8.259 1.00 0.00 C ATOM 883 CD LYS A 69 2.237 3.423 7.724 1.00 0.00 C ATOM 884 CE LYS A 69 2.444 4.784 8.372 1.00 0.00 C ATOM 885 NZ LYS A 69 2.620 4.693 9.847 1.00 0.00 N ATOM 0 H LYS A 69 -1.169 1.366 7.704 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.129 2.977 10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.557 3.677 7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.013 4.565 8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.180 2.403 9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.838 1.793 7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.117 2.804 7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.142 3.548 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.320 5.262 7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.589 5.422 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.808 5.640 10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.754 4.309 10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.421 4.066 10.063 1.00 0.00 H new ATOM 899 N VAL A 70 -3.483 3.501 7.891 1.00 0.00 N ATOM 900 CA VAL A 70 -4.701 4.271 7.641 1.00 0.00 C ATOM 901 C VAL A 70 -5.838 3.837 8.564 1.00 0.00 C ATOM 902 O VAL A 70 -6.944 4.379 8.503 1.00 0.00 O ATOM 903 CB VAL A 70 -5.157 4.164 6.167 1.00 0.00 C ATOM 904 CG1 VAL A 70 -4.005 4.505 5.239 1.00 0.00 C ATOM 905 CG2 VAL A 70 -5.720 2.787 5.844 1.00 0.00 C ATOM 0 H VAL A 70 -3.349 2.704 7.268 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.457 5.312 7.851 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.962 4.883 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.336 4.427 4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.668 5.523 5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.182 3.811 5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.028 2.756 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.955 2.031 6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.581 2.587 6.482 1.00 0.00 H new ATOM 915 N GLY A 71 -5.560 2.867 9.426 1.00 0.00 N ATOM 916 CA GLY A 71 -6.559 2.410 10.371 1.00 0.00 C ATOM 917 C GLY A 71 -7.299 1.184 9.881 1.00 0.00 C ATOM 918 O GLY A 71 -8.386 0.866 10.366 1.00 0.00 O ATOM 0 H GLY A 71 -4.661 2.389 9.487 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.078 2.185 11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.273 3.212 10.557 1.00 0.00 H new ATOM 922 N GLN A 72 -6.715 0.502 8.910 1.00 0.00 N ATOM 923 CA GLN A 72 -7.298 -0.713 8.371 1.00 0.00 C ATOM 924 C GLN A 72 -6.261 -1.835 8.402 1.00 0.00 C ATOM 925 O GLN A 72 -5.496 -2.010 7.458 1.00 0.00 O ATOM 926 CB GLN A 72 -7.771 -0.465 6.935 1.00 0.00 C ATOM 927 CG GLN A 72 -8.424 -1.667 6.276 1.00 0.00 C ATOM 928 CD GLN A 72 -9.786 -1.977 6.849 1.00 0.00 C ATOM 929 OE1 GLN A 72 -9.918 -2.743 7.805 1.00 0.00 O ATOM 930 NE2 GLN A 72 -10.809 -1.380 6.268 1.00 0.00 N ATOM 0 H GLN A 72 -5.832 0.772 8.477 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.155 -1.007 8.977 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.479 0.363 6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.918 -0.154 6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.518 -1.483 5.206 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.778 -2.537 6.394 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.653 -0.753 5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.756 -1.545 6.608 1.00 0.00 H new ATOM 939 N PRO A 73 -6.219 -2.611 9.487 1.00 0.00 N ATOM 940 CA PRO A 73 -5.209 -3.648 9.656 1.00 0.00 C ATOM 941 C PRO A 73 -5.456 -4.863 8.771 1.00 0.00 C ATOM 942 O PRO A 73 -6.214 -5.775 9.120 1.00 0.00 O ATOM 943 CB PRO A 73 -5.319 -4.025 11.125 1.00 0.00 C ATOM 944 CG PRO A 73 -6.723 -3.691 11.505 1.00 0.00 C ATOM 945 CD PRO A 73 -7.137 -2.533 10.634 1.00 0.00 C ATOM 0 HA PRO A 73 -4.220 -3.292 9.369 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.110 -5.084 11.277 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.603 -3.468 11.730 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.381 -4.547 11.352 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.787 -3.425 12.560 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.177 -2.620 10.320 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.041 -1.583 11.159 1.00 0.00 H new ATOM 953 N LYS A 74 -4.830 -4.849 7.613 1.00 0.00 N ATOM 954 CA LYS A 74 -4.888 -5.969 6.693 1.00 0.00 C ATOM 955 C LYS A 74 -3.588 -6.743 6.757 1.00 0.00 C ATOM 956 O LYS A 74 -2.510 -6.149 6.809 1.00 0.00 O ATOM 957 CB LYS A 74 -5.135 -5.492 5.258 1.00 0.00 C ATOM 958 CG LYS A 74 -6.509 -4.882 5.034 1.00 0.00 C ATOM 959 CD LYS A 74 -7.619 -5.882 5.320 1.00 0.00 C ATOM 960 CE LYS A 74 -8.981 -5.316 4.956 1.00 0.00 C ATOM 961 NZ LYS A 74 -10.084 -6.249 5.309 1.00 0.00 N ATOM 0 H LYS A 74 -4.268 -4.065 7.282 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.717 -6.613 6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.375 -4.756 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.009 -6.336 4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.630 -4.010 5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.589 -4.533 4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.441 -6.797 4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.605 -6.151 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.129 -4.367 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.012 -5.105 3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.996 -5.825 5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.958 -7.145 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.071 -6.430 6.333 1.00 0.00 H new ATOM 975 N THR A 75 -3.688 -8.056 6.762 1.00 0.00 N ATOM 976 CA THR A 75 -2.511 -8.896 6.811 1.00 0.00 C ATOM 977 C THR A 75 -1.852 -8.959 5.443 1.00 0.00 C ATOM 978 O THR A 75 -2.467 -8.615 4.429 1.00 0.00 O ATOM 979 CB THR A 75 -2.862 -10.322 7.273 1.00 0.00 C ATOM 980 OG1 THR A 75 -3.842 -10.890 6.394 1.00 0.00 O ATOM 981 CG2 THR A 75 -3.392 -10.318 8.699 1.00 0.00 C ATOM 0 H THR A 75 -4.572 -8.564 6.733 1.00 0.00 H new ATOM 0 HA THR A 75 -1.821 -8.456 7.531 1.00 0.00 H new ATOM 0 HB THR A 75 -1.954 -10.924 7.246 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.178 -11.728 6.776 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.632 -11.337 9.001 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.634 -9.911 9.368 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.290 -9.703 8.752 1.00 0.00 H new ATOM 989 N LEU A 76 -0.603 -9.390 5.417 1.00 0.00 N ATOM 990 CA LEU A 76 0.109 -9.582 4.168 1.00 0.00 C ATOM 991 C LEU A 76 -0.599 -10.653 3.350 1.00 0.00 C ATOM 992 O LEU A 76 -0.631 -10.603 2.119 1.00 0.00 O ATOM 993 CB LEU A 76 1.560 -9.978 4.453 1.00 0.00 C ATOM 994 CG LEU A 76 2.454 -10.134 3.224 1.00 0.00 C ATOM 995 CD1 LEU A 76 2.473 -8.850 2.410 1.00 0.00 C ATOM 996 CD2 LEU A 76 3.863 -10.515 3.643 1.00 0.00 C ATOM 0 H LEU A 76 -0.060 -9.614 6.251 1.00 0.00 H new ATOM 0 HA LEU A 76 0.118 -8.653 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.001 -9.227 5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.560 -10.920 5.002 1.00 0.00 H new ATOM 0 HG LEU A 76 2.048 -10.930 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.115 -8.981 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.461 -8.612 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.857 -8.035 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.489 -10.623 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.274 -9.737 4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.838 -11.459 4.187 1.00 0.00 H new ATOM 1008 N ASN A 77 -1.182 -11.608 4.063 1.00 0.00 N ATOM 1009 CA ASN A 77 -1.968 -12.671 3.455 1.00 0.00 C ATOM 1010 C ASN A 77 -3.156 -12.097 2.690 1.00 0.00 C ATOM 1011 O ASN A 77 -3.413 -12.484 1.551 1.00 0.00 O ATOM 1012 CB ASN A 77 -2.480 -13.616 4.540 1.00 0.00 C ATOM 1013 CG ASN A 77 -3.256 -14.793 3.978 1.00 0.00 C ATOM 1014 OD1 ASN A 77 -2.921 -15.335 2.922 1.00 0.00 O ATOM 1015 ND2 ASN A 77 -4.313 -15.182 4.671 1.00 0.00 N ATOM 0 H ASN A 77 -1.123 -11.666 5.080 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.330 -13.214 2.758 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.635 -13.988 5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.119 -13.061 5.227 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.885 -15.957 4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.556 -14.707 5.540 1.00 0.00 H new ATOM 1022 N GLU A 78 -3.866 -11.162 3.322 1.00 0.00 N ATOM 1023 CA GLU A 78 -5.033 -10.536 2.703 1.00 0.00 C ATOM 1024 C GLU A 78 -4.657 -9.839 1.412 1.00 0.00 C ATOM 1025 O GLU A 78 -5.334 -9.995 0.401 1.00 0.00 O ATOM 1026 CB GLU A 78 -5.691 -9.525 3.643 1.00 0.00 C ATOM 1027 CG GLU A 78 -6.441 -10.160 4.794 1.00 0.00 C ATOM 1028 CD GLU A 78 -7.454 -11.184 4.328 1.00 0.00 C ATOM 1029 OE1 GLU A 78 -7.192 -12.396 4.480 1.00 0.00 O ATOM 1030 OE2 GLU A 78 -8.519 -10.784 3.812 1.00 0.00 O ATOM 0 H GLU A 78 -3.654 -10.823 4.260 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.743 -11.335 2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.924 -8.862 4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.381 -8.905 3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.730 -10.637 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.950 -9.383 5.365 1.00 0.00 H new ATOM 1037 N ILE A 79 -3.571 -9.085 1.448 1.00 0.00 N ATOM 1038 CA ILE A 79 -3.138 -8.325 0.289 1.00 0.00 C ATOM 1039 C ILE A 79 -2.850 -9.257 -0.885 1.00 0.00 C ATOM 1040 O ILE A 79 -3.310 -9.021 -2.001 1.00 0.00 O ATOM 1041 CB ILE A 79 -1.893 -7.471 0.605 1.00 0.00 C ATOM 1042 CG1 ILE A 79 -2.145 -6.589 1.836 1.00 0.00 C ATOM 1043 CG2 ILE A 79 -1.510 -6.616 -0.594 1.00 0.00 C ATOM 1044 CD1 ILE A 79 -3.376 -5.707 1.729 1.00 0.00 C ATOM 0 H ILE A 79 -2.973 -8.983 2.268 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.949 -7.650 0.017 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.063 -8.143 0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.245 -7.229 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.272 -5.957 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.630 -6.021 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.289 -7.261 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.337 -5.953 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.481 -5.117 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.272 -5.039 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.260 -6.331 1.597 1.00 0.00 H new ATOM 1056 N LYS A 80 -2.116 -10.333 -0.619 1.00 0.00 N ATOM 1057 CA LYS A 80 -1.819 -11.325 -1.647 1.00 0.00 C ATOM 1058 C LYS A 80 -3.095 -12.009 -2.118 1.00 0.00 C ATOM 1059 O LYS A 80 -3.270 -12.270 -3.305 1.00 0.00 O ATOM 1060 CB LYS A 80 -0.831 -12.367 -1.122 1.00 0.00 C ATOM 1061 CG LYS A 80 0.494 -11.771 -0.692 1.00 0.00 C ATOM 1062 CD LYS A 80 1.526 -12.846 -0.400 1.00 0.00 C ATOM 1063 CE LYS A 80 2.875 -12.238 -0.051 1.00 0.00 C ATOM 1064 NZ LYS A 80 3.919 -13.276 0.160 1.00 0.00 N ATOM 0 H LYS A 80 -1.717 -10.540 0.297 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.366 -10.808 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.279 -12.889 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.652 -13.112 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.867 -11.111 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.346 -11.158 0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.181 -13.469 0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.632 -13.497 -1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.188 -11.567 -0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.777 -11.634 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.822 -12.817 0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.634 -13.901 0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.032 -13.837 -0.709 1.00 0.00 H new ATOM 1078 N ARG A 81 -3.984 -12.286 -1.175 1.00 0.00 N ATOM 1079 CA ARG A 81 -5.274 -12.899 -1.479 1.00 0.00 C ATOM 1080 C ARG A 81 -6.077 -12.008 -2.423 1.00 0.00 C ATOM 1081 O ARG A 81 -6.629 -12.470 -3.419 1.00 0.00 O ATOM 1082 CB ARG A 81 -6.067 -13.125 -0.187 1.00 0.00 C ATOM 1083 CG ARG A 81 -7.349 -13.921 -0.377 1.00 0.00 C ATOM 1084 CD ARG A 81 -7.057 -15.396 -0.593 1.00 0.00 C ATOM 1085 NE ARG A 81 -6.440 -16.006 0.586 1.00 0.00 N ATOM 1086 CZ ARG A 81 -5.589 -17.031 0.540 1.00 0.00 C ATOM 1087 NH1 ARG A 81 -5.242 -17.559 -0.628 1.00 0.00 N ATOM 1088 NH2 ARG A 81 -5.092 -17.532 1.663 1.00 0.00 N ATOM 0 H ARG A 81 -3.836 -12.095 -0.184 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.095 -13.859 -1.964 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.432 -13.645 0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.314 -12.157 0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.988 -13.799 0.498 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.900 -13.528 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.983 -15.919 -0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.396 -15.514 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.676 -15.622 1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.627 -17.180 -1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.591 -18.343 -0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.361 -17.133 2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.441 -18.316 1.627 1.00 0.00 H new ATOM 1102 N ILE A 82 -6.119 -10.724 -2.105 1.00 0.00 N ATOM 1103 CA ILE A 82 -6.869 -9.748 -2.886 1.00 0.00 C ATOM 1104 C ILE A 82 -6.242 -9.545 -4.268 1.00 0.00 C ATOM 1105 O ILE A 82 -6.944 -9.294 -5.249 1.00 0.00 O ATOM 1106 CB ILE A 82 -6.949 -8.402 -2.127 1.00 0.00 C ATOM 1107 CG1 ILE A 82 -7.744 -8.589 -0.830 1.00 0.00 C ATOM 1108 CG2 ILE A 82 -7.589 -7.324 -2.991 1.00 0.00 C ATOM 1109 CD1 ILE A 82 -7.541 -7.487 0.188 1.00 0.00 C ATOM 0 H ILE A 82 -5.635 -10.327 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.879 -10.133 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.937 -8.078 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.805 -8.652 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.463 -9.541 -0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.633 -6.389 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.995 -7.181 -3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.598 -7.630 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.139 -7.696 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.488 -7.436 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.850 -6.534 -0.241 1.00 0.00 H new ATOM 1121 N LEU A 83 -4.925 -9.676 -4.348 1.00 0.00 N ATOM 1122 CA LEU A 83 -4.219 -9.519 -5.616 1.00 0.00 C ATOM 1123 C LEU A 83 -4.261 -10.805 -6.439 1.00 0.00 C ATOM 1124 O LEU A 83 -3.774 -10.845 -7.571 1.00 0.00 O ATOM 1125 CB LEU A 83 -2.767 -9.101 -5.370 1.00 0.00 C ATOM 1126 CG LEU A 83 -2.590 -7.736 -4.700 1.00 0.00 C ATOM 1127 CD1 LEU A 83 -1.118 -7.434 -4.481 1.00 0.00 C ATOM 1128 CD2 LEU A 83 -3.242 -6.644 -5.536 1.00 0.00 C ATOM 0 H LEU A 83 -4.323 -9.890 -3.553 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.724 -8.737 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.287 -9.858 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.241 -9.091 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.081 -7.764 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.014 -6.460 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.681 -8.200 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.602 -7.425 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.107 -5.680 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.780 -6.617 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.307 -6.852 -5.640 1.00 0.00 H new ATOM 1140 N SER A 84 -4.833 -11.852 -5.867 1.00 0.00 N ATOM 1141 CA SER A 84 -4.981 -13.117 -6.571 1.00 0.00 C ATOM 1142 C SER A 84 -6.416 -13.293 -7.065 1.00 0.00 C ATOM 1143 O SER A 84 -6.696 -12.930 -8.230 1.00 0.00 O ATOM 1144 CB SER A 84 -4.589 -14.277 -5.656 1.00 0.00 C ATOM 1145 OG SER A 84 -3.257 -14.130 -5.187 1.00 0.00 O ATOM 1146 OXT SER A 84 -7.264 -13.785 -6.292 1.00 0.00 O ATOM 0 H SER A 84 -5.203 -11.852 -4.916 1.00 0.00 H new ATOM 0 HA SER A 84 -4.318 -13.112 -7.436 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.273 -14.323 -4.809 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.686 -15.219 -6.196 1.00 0.00 H new ATOM 0 HG SER A 84 -3.199 -13.341 -4.608 1.00 0.00 H new TER 1152 SER A 84