USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 894 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 Single : A 1 MET CE :methyl -153:sc= -0.123 (180deg=-0.942) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0176 (180deg=-0.374) USER MOD Single : A 7 SER OG : rot 180:sc= -0.132 USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.534 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -83:sc= 0.494 USER MOD Single : A 22 GLN : amide:sc= -2.97! X(o=-3!,f=-2.6) USER MOD Single : A 23 ASN : amide:sc= -0.0375 K(o=-0.037,f=-2!) USER MOD Single : A 24 GLN : amide:sc= -0.787 K(o=-0.79,f=-3.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1.8!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.371 USER MOD Single : A 33 MET CE :methyl 130:sc= -0.733 (180deg=-1.85) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 40 THR OG1 : rot 141:sc= 0.273 USER MOD Single : A 43 MET CE :methyl -155:sc= -0.173 (180deg=-1.66) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0213 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.798 K(o=-0.8,f=0.11!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= -0.0363 (180deg=-0.456) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.625 K(o=-0.63,f=-1.8!) USER MOD Single : A 66 MET CE :methyl 172:sc= -1.58 (180deg=-2.03) USER MOD Single : A 68 SER OG : rot 75:sc= 0.377 USER MOD Single : A 73 HIS : no HD1:sc= -6.01! C(o=-6!,f=-16!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.00574 USER MOD Single : A 79 GLN : amide:sc= -0.0326 K(o=-0.033,f=-1.7!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -38:sc= 0.407 USER MOD Single : A 84 HIS : no HD1:sc= -4.99! C(o=-5!,f=-6.6!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.169 (180deg=-0.908) USER MOD Single : A 102 HIS : no HD1:sc= -2.35 X(o=-2.4,f=-2.2) USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= -2.48! (180deg=-4.69!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.245 K(o=-0.25,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.967 6.233 13.604 1.00 0.00 N ATOM 2 CA MET A 1 22.992 5.475 12.765 1.00 0.00 C ATOM 3 C MET A 1 21.861 6.407 12.319 1.00 0.00 C ATOM 4 O MET A 1 20.775 6.384 12.864 1.00 0.00 O ATOM 5 CB MET A 1 22.406 4.314 13.577 1.00 0.00 C ATOM 6 CG MET A 1 23.488 3.260 13.837 1.00 0.00 C ATOM 7 SD MET A 1 23.977 2.475 12.276 1.00 0.00 S ATOM 8 CE MET A 1 22.452 1.548 11.965 1.00 0.00 C ATOM 0 H1 MET A 1 24.870 5.718 13.638 1.00 0.00 H new ATOM 0 H2 MET A 1 24.121 7.175 13.192 1.00 0.00 H new ATOM 0 H3 MET A 1 23.590 6.334 14.568 1.00 0.00 H new ATOM 0 HA MET A 1 23.505 5.081 11.887 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.011 4.684 14.523 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.572 3.866 13.037 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.355 3.725 14.307 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.115 2.507 14.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.678 0.666 11.366 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.014 1.240 12.914 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.745 2.180 11.427 1.00 0.00 H new ATOM 20 N GLY A 2 22.101 7.219 11.327 1.00 0.00 N ATOM 21 CA GLY A 2 21.034 8.141 10.847 1.00 0.00 C ATOM 22 C GLY A 2 19.940 7.317 10.147 1.00 0.00 C ATOM 23 O GLY A 2 20.177 6.196 9.743 1.00 0.00 O ATOM 0 H GLY A 2 22.989 7.284 10.829 1.00 0.00 H new ATOM 0 HA2 GLY A 2 20.610 8.695 11.684 1.00 0.00 H new ATOM 0 HA3 GLY A 2 21.452 8.875 10.158 1.00 0.00 H new ATOM 27 N PRO A 3 18.748 7.855 10.008 1.00 0.00 N ATOM 28 CA PRO A 3 17.639 7.109 9.346 1.00 0.00 C ATOM 29 C PRO A 3 18.069 6.529 7.988 1.00 0.00 C ATOM 30 O PRO A 3 19.031 6.970 7.393 1.00 0.00 O ATOM 31 CB PRO A 3 16.548 8.193 9.192 1.00 0.00 C ATOM 32 CG PRO A 3 17.065 9.504 9.826 1.00 0.00 C ATOM 33 CD PRO A 3 18.428 9.227 10.486 1.00 0.00 C ATOM 0 HA PRO A 3 17.305 6.241 9.914 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.315 8.348 8.139 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.626 7.875 9.679 1.00 0.00 H new ATOM 0 HG2 PRO A 3 17.164 10.279 9.066 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.354 9.872 10.566 1.00 0.00 H new ATOM 0 HD2 PRO A 3 19.183 9.950 10.177 1.00 0.00 H new ATOM 0 HD3 PRO A 3 18.369 9.274 11.573 1.00 0.00 H new ATOM 41 N VAL A 4 17.367 5.539 7.499 1.00 0.00 N ATOM 42 CA VAL A 4 17.744 4.933 6.192 1.00 0.00 C ATOM 43 C VAL A 4 17.214 5.818 5.042 1.00 0.00 C ATOM 44 O VAL A 4 16.183 6.447 5.183 1.00 0.00 O ATOM 45 CB VAL A 4 17.115 3.543 6.099 1.00 0.00 C ATOM 46 CG1 VAL A 4 17.615 2.676 7.255 1.00 0.00 C ATOM 47 CG2 VAL A 4 15.595 3.669 6.184 1.00 0.00 C ATOM 0 H VAL A 4 16.550 5.126 7.950 1.00 0.00 H new ATOM 0 HA VAL A 4 18.829 4.857 6.114 1.00 0.00 H new ATOM 0 HB VAL A 4 17.394 3.082 5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 4 17.166 1.685 7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 4 18.700 2.587 7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.336 3.137 8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 4 15.144 2.679 6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.321 4.130 7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.235 4.288 5.362 1.00 0.00 H new ATOM 57 N PRO A 5 17.896 5.878 3.908 1.00 0.00 N ATOM 58 CA PRO A 5 17.420 6.720 2.768 1.00 0.00 C ATOM 59 C PRO A 5 16.153 6.140 2.101 1.00 0.00 C ATOM 60 O PRO A 5 15.834 4.982 2.282 1.00 0.00 O ATOM 61 CB PRO A 5 18.622 6.675 1.810 1.00 0.00 C ATOM 62 CG PRO A 5 19.474 5.461 2.198 1.00 0.00 C ATOM 63 CD PRO A 5 19.169 5.129 3.669 1.00 0.00 C ATOM 0 HA PRO A 5 17.129 7.726 3.072 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.286 6.593 0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.206 7.593 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.242 4.610 1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.534 5.679 2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 5 19.046 4.058 3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.966 5.460 4.334 1.00 0.00 H new ATOM 71 N PRO A 6 15.439 6.938 1.333 1.00 0.00 N ATOM 72 CA PRO A 6 14.201 6.459 0.648 1.00 0.00 C ATOM 73 C PRO A 6 14.426 5.186 -0.187 1.00 0.00 C ATOM 74 O PRO A 6 13.624 4.273 -0.169 1.00 0.00 O ATOM 75 CB PRO A 6 13.831 7.658 -0.256 1.00 0.00 C ATOM 76 CG PRO A 6 14.886 8.767 -0.061 1.00 0.00 C ATOM 77 CD PRO A 6 15.812 8.360 1.097 1.00 0.00 C ATOM 0 HA PRO A 6 13.422 6.175 1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.797 7.348 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.839 8.031 -0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 6 15.462 8.907 -0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 6 14.400 9.718 0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 6 16.864 8.463 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 6 15.646 8.974 1.982 1.00 0.00 H new ATOM 85 N SER A 7 15.498 5.128 -0.926 1.00 0.00 N ATOM 86 CA SER A 7 15.758 3.923 -1.770 1.00 0.00 C ATOM 87 C SER A 7 15.862 2.690 -0.880 1.00 0.00 C ATOM 88 O SER A 7 15.375 1.628 -1.213 1.00 0.00 O ATOM 89 CB SER A 7 17.062 4.102 -2.544 1.00 0.00 C ATOM 90 OG SER A 7 18.155 4.041 -1.639 1.00 0.00 O ATOM 0 H SER A 7 16.206 5.860 -0.984 1.00 0.00 H new ATOM 0 HA SER A 7 14.936 3.797 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.158 3.325 -3.302 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.060 5.059 -3.067 1.00 0.00 H new ATOM 0 HG SER A 7 18.994 4.154 -2.132 1.00 0.00 H new ATOM 96 N THR A 8 16.485 2.825 0.252 1.00 0.00 N ATOM 97 CA THR A 8 16.611 1.664 1.170 1.00 0.00 C ATOM 98 C THR A 8 15.231 1.317 1.723 1.00 0.00 C ATOM 99 O THR A 8 14.879 0.164 1.865 1.00 0.00 O ATOM 100 CB THR A 8 17.553 2.021 2.319 1.00 0.00 C ATOM 101 OG1 THR A 8 18.837 2.330 1.796 1.00 0.00 O ATOM 102 CG2 THR A 8 17.662 0.844 3.292 1.00 0.00 C ATOM 0 H THR A 8 16.913 3.690 0.582 1.00 0.00 H new ATOM 0 HA THR A 8 17.016 0.808 0.631 1.00 0.00 H new ATOM 0 HB THR A 8 17.158 2.885 2.853 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.508 2.248 2.506 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.335 1.107 4.108 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.676 0.613 3.696 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.052 -0.028 2.766 1.00 0.00 H new ATOM 110 N ALA A 9 14.448 2.310 2.040 1.00 0.00 N ATOM 111 CA ALA A 9 13.090 2.042 2.587 1.00 0.00 C ATOM 112 C ALA A 9 12.263 1.282 1.550 1.00 0.00 C ATOM 113 O ALA A 9 11.555 0.350 1.874 1.00 0.00 O ATOM 114 CB ALA A 9 12.393 3.365 2.911 1.00 0.00 C ATOM 0 H ALA A 9 14.690 3.296 1.944 1.00 0.00 H new ATOM 0 HA ALA A 9 13.182 1.446 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.399 3.164 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.978 3.913 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.305 3.962 2.003 1.00 0.00 H new ATOM 120 N LEU A 10 12.335 1.675 0.306 1.00 0.00 N ATOM 121 CA LEU A 10 11.535 0.969 -0.733 1.00 0.00 C ATOM 122 C LEU A 10 11.959 -0.499 -0.777 1.00 0.00 C ATOM 123 O LEU A 10 11.133 -1.388 -0.817 1.00 0.00 O ATOM 124 CB LEU A 10 11.768 1.613 -2.107 1.00 0.00 C ATOM 125 CG LEU A 10 10.932 0.893 -3.185 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.438 1.187 -2.989 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.368 1.386 -4.565 1.00 0.00 C ATOM 0 H LEU A 10 12.908 2.448 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 10 10.476 1.042 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.497 2.668 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.826 1.564 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 10 11.092 -0.182 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.862 0.672 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.124 0.838 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.265 2.261 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.782 0.882 -5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.208 2.462 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.425 1.166 -4.713 1.00 0.00 H new ATOM 139 N ARG A 11 13.240 -0.763 -0.781 1.00 0.00 N ATOM 140 CA ARG A 11 13.699 -2.180 -0.829 1.00 0.00 C ATOM 141 C ARG A 11 13.149 -2.899 0.397 1.00 0.00 C ATOM 142 O ARG A 11 12.670 -4.013 0.320 1.00 0.00 O ATOM 143 CB ARG A 11 15.227 -2.232 -0.793 1.00 0.00 C ATOM 144 CG ARG A 11 15.802 -1.701 -2.105 1.00 0.00 C ATOM 145 CD ARG A 11 17.330 -1.763 -2.043 1.00 0.00 C ATOM 146 NE ARG A 11 17.914 -1.041 -3.207 1.00 0.00 N ATOM 147 CZ ARG A 11 19.166 -0.669 -3.181 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.893 -0.905 -2.123 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.686 -0.051 -4.205 1.00 0.00 N ATOM 0 H ARG A 11 13.982 -0.064 -0.753 1.00 0.00 H new ATOM 0 HA ARG A 11 13.347 -2.654 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.599 -1.639 0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.560 -3.257 -0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.435 -2.293 -2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.474 -0.675 -2.272 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.683 -1.317 -1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.661 -2.802 -2.045 1.00 0.00 H new ATOM 0 HE ARG A 11 17.337 -0.837 -4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.483 -1.379 -1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.871 -0.615 -2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.115 0.143 -5.028 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.664 0.239 -4.183 1.00 0.00 H new ATOM 163 N GLU A 12 13.204 -2.255 1.530 1.00 0.00 N ATOM 164 CA GLU A 12 12.670 -2.878 2.769 1.00 0.00 C ATOM 165 C GLU A 12 11.164 -3.094 2.610 1.00 0.00 C ATOM 166 O GLU A 12 10.625 -4.101 3.020 1.00 0.00 O ATOM 167 CB GLU A 12 12.947 -1.951 3.959 1.00 0.00 C ATOM 168 CG GLU A 12 14.450 -1.936 4.257 1.00 0.00 C ATOM 169 CD GLU A 12 14.742 -0.982 5.420 1.00 0.00 C ATOM 170 OE1 GLU A 12 13.814 -0.345 5.888 1.00 0.00 O ATOM 171 OE2 GLU A 12 15.893 -0.904 5.822 1.00 0.00 O ATOM 0 H GLU A 12 13.597 -1.321 1.649 1.00 0.00 H new ATOM 0 HA GLU A 12 13.154 -3.839 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.600 -0.942 3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.395 -2.292 4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.790 -2.941 4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.002 -1.623 3.371 1.00 0.00 H new ATOM 178 N LEU A 13 10.479 -2.151 2.016 1.00 0.00 N ATOM 179 CA LEU A 13 9.007 -2.299 1.834 1.00 0.00 C ATOM 180 C LEU A 13 8.713 -3.382 0.786 1.00 0.00 C ATOM 181 O LEU A 13 7.875 -4.237 0.990 1.00 0.00 O ATOM 182 CB LEU A 13 8.421 -0.955 1.369 1.00 0.00 C ATOM 183 CG LEU A 13 6.899 -1.063 1.163 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.205 -1.415 2.489 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.366 0.280 0.650 1.00 0.00 C ATOM 0 H LEU A 13 10.877 -1.286 1.650 1.00 0.00 H new ATOM 0 HA LEU A 13 8.552 -2.593 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.639 -0.184 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.898 -0.648 0.438 1.00 0.00 H new ATOM 0 HG LEU A 13 6.691 -1.849 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.129 -1.488 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.583 -2.370 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.410 -0.637 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.288 0.211 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.583 1.060 1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.848 0.525 -0.297 1.00 0.00 H new ATOM 197 N ILE A 14 9.385 -3.353 -0.335 1.00 0.00 N ATOM 198 CA ILE A 14 9.122 -4.383 -1.386 1.00 0.00 C ATOM 199 C ILE A 14 9.405 -5.783 -0.832 1.00 0.00 C ATOM 200 O ILE A 14 8.609 -6.690 -0.975 1.00 0.00 O ATOM 201 CB ILE A 14 10.020 -4.130 -2.610 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.618 -2.810 -3.278 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.849 -5.273 -3.619 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.628 -2.459 -4.375 1.00 0.00 C ATOM 0 H ILE A 14 10.101 -2.665 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 14 8.076 -4.316 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 14 11.059 -4.077 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.619 -2.896 -3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.580 -2.012 -2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.486 -5.092 -4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.132 -6.216 -3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.808 -5.324 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.340 -1.520 -4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.620 -2.354 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.644 -3.252 -5.122 1.00 0.00 H new ATOM 216 N GLU A 15 10.545 -5.971 -0.224 1.00 0.00 N ATOM 217 CA GLU A 15 10.898 -7.318 0.310 1.00 0.00 C ATOM 218 C GLU A 15 9.873 -7.783 1.353 1.00 0.00 C ATOM 219 O GLU A 15 9.503 -8.939 1.388 1.00 0.00 O ATOM 220 CB GLU A 15 12.287 -7.252 0.957 1.00 0.00 C ATOM 221 CG GLU A 15 13.358 -7.074 -0.126 1.00 0.00 C ATOM 222 CD GLU A 15 14.742 -7.010 0.529 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.796 -6.869 1.740 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.721 -7.091 -0.193 1.00 0.00 O ATOM 0 H GLU A 15 11.249 -5.248 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 15 10.897 -8.031 -0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.330 -6.423 1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.478 -8.163 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.317 -7.903 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.170 -6.162 -0.692 1.00 0.00 H new ATOM 231 N GLU A 16 9.419 -6.913 2.210 1.00 0.00 N ATOM 232 CA GLU A 16 8.437 -7.352 3.244 1.00 0.00 C ATOM 233 C GLU A 16 7.077 -7.658 2.609 1.00 0.00 C ATOM 234 O GLU A 16 6.461 -8.660 2.910 1.00 0.00 O ATOM 235 CB GLU A 16 8.270 -6.251 4.291 1.00 0.00 C ATOM 236 CG GLU A 16 7.274 -6.707 5.360 1.00 0.00 C ATOM 237 CD GLU A 16 7.263 -5.690 6.500 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.024 -4.740 6.425 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.494 -5.877 7.428 1.00 0.00 O ATOM 0 H GLU A 16 9.680 -5.928 2.242 1.00 0.00 H new ATOM 0 HA GLU A 16 8.815 -8.260 3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.232 -6.022 4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.917 -5.335 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.277 -6.800 4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.552 -7.691 5.737 1.00 0.00 H new ATOM 246 N LEU A 17 6.589 -6.803 1.751 1.00 0.00 N ATOM 247 CA LEU A 17 5.254 -7.058 1.130 1.00 0.00 C ATOM 248 C LEU A 17 5.274 -8.374 0.345 1.00 0.00 C ATOM 249 O LEU A 17 4.340 -9.150 0.393 1.00 0.00 O ATOM 250 CB LEU A 17 4.897 -5.917 0.170 1.00 0.00 C ATOM 251 CG LEU A 17 4.656 -4.616 0.948 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.496 -3.465 -0.049 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.385 -4.730 1.816 1.00 0.00 C ATOM 0 H LEU A 17 7.052 -5.944 1.454 1.00 0.00 H new ATOM 0 HA LEU A 17 4.512 -7.120 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.703 -5.773 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.005 -6.178 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 17 5.506 -4.429 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.324 -2.535 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.402 -3.374 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.648 -3.666 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.231 -3.798 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.524 -4.924 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.501 -5.549 2.526 1.00 0.00 H new ATOM 265 N VAL A 18 6.320 -8.622 -0.392 1.00 0.00 N ATOM 266 CA VAL A 18 6.394 -9.876 -1.197 1.00 0.00 C ATOM 267 C VAL A 18 6.457 -11.101 -0.274 1.00 0.00 C ATOM 268 O VAL A 18 5.828 -12.108 -0.522 1.00 0.00 O ATOM 269 CB VAL A 18 7.657 -9.825 -2.070 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.895 -11.180 -2.741 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.491 -8.753 -3.149 1.00 0.00 C ATOM 0 H VAL A 18 7.131 -8.009 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 18 5.505 -9.959 -1.822 1.00 0.00 H new ATOM 0 HB VAL A 18 8.511 -9.585 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.793 -11.129 -3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.022 -11.947 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.040 -11.431 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.388 -8.718 -3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.630 -8.994 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.337 -7.783 -2.677 1.00 0.00 H new ATOM 281 N ASN A 19 7.229 -11.031 0.772 1.00 0.00 N ATOM 282 CA ASN A 19 7.359 -12.203 1.689 1.00 0.00 C ATOM 283 C ASN A 19 6.003 -12.588 2.295 1.00 0.00 C ATOM 284 O ASN A 19 5.695 -13.755 2.447 1.00 0.00 O ATOM 285 CB ASN A 19 8.333 -11.853 2.818 1.00 0.00 C ATOM 286 CG ASN A 19 8.473 -13.053 3.756 1.00 0.00 C ATOM 287 OD1 ASN A 19 7.925 -13.057 4.842 1.00 0.00 O ATOM 288 ND2 ASN A 19 9.188 -14.079 3.381 1.00 0.00 N ATOM 0 H ASN A 19 7.778 -10.213 1.035 1.00 0.00 H new ATOM 0 HA ASN A 19 7.731 -13.050 1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.305 -11.585 2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.971 -10.986 3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.287 -14.885 3.999 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.647 -14.075 2.470 1.00 0.00 H new ATOM 295 N ILE A 20 5.199 -11.630 2.669 1.00 0.00 N ATOM 296 CA ILE A 20 3.882 -11.965 3.293 1.00 0.00 C ATOM 297 C ILE A 20 2.836 -12.382 2.244 1.00 0.00 C ATOM 298 O ILE A 20 1.823 -12.960 2.586 1.00 0.00 O ATOM 299 CB ILE A 20 3.371 -10.762 4.097 1.00 0.00 C ATOM 300 CG1 ILE A 20 3.214 -9.544 3.185 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.366 -10.434 5.210 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.561 -8.404 3.972 1.00 0.00 C ATOM 0 H ILE A 20 5.394 -10.634 2.571 1.00 0.00 H new ATOM 0 HA ILE A 20 4.034 -12.816 3.957 1.00 0.00 H new ATOM 0 HB ILE A 20 2.402 -11.012 4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.187 -9.230 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.604 -9.800 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.004 -9.580 5.782 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.470 -11.295 5.871 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.335 -10.193 4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.447 -7.534 3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.581 -8.722 4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.189 -8.143 4.824 1.00 0.00 H new ATOM 314 N THR A 21 3.049 -12.092 0.979 1.00 0.00 N ATOM 315 CA THR A 21 2.029 -12.476 -0.061 1.00 0.00 C ATOM 316 C THR A 21 2.457 -13.749 -0.803 1.00 0.00 C ATOM 317 O THR A 21 1.651 -14.400 -1.437 1.00 0.00 O ATOM 318 CB THR A 21 1.873 -11.338 -1.080 1.00 0.00 C ATOM 319 OG1 THR A 21 3.149 -11.003 -1.608 1.00 0.00 O ATOM 320 CG2 THR A 21 1.252 -10.098 -0.418 1.00 0.00 C ATOM 0 H THR A 21 3.875 -11.611 0.622 1.00 0.00 H new ATOM 0 HA THR A 21 1.082 -12.660 0.446 1.00 0.00 H new ATOM 0 HB THR A 21 1.213 -11.672 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.605 -10.388 -0.997 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.150 -9.303 -1.157 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.269 -10.352 -0.020 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.895 -9.758 0.394 1.00 0.00 H new ATOM 328 N GLN A 22 3.705 -14.119 -0.742 1.00 0.00 N ATOM 329 CA GLN A 22 4.135 -15.356 -1.459 1.00 0.00 C ATOM 330 C GLN A 22 3.722 -16.591 -0.655 1.00 0.00 C ATOM 331 O GLN A 22 3.568 -17.668 -1.198 1.00 0.00 O ATOM 332 CB GLN A 22 5.654 -15.341 -1.656 1.00 0.00 C ATOM 333 CG GLN A 22 6.013 -14.341 -2.760 1.00 0.00 C ATOM 334 CD GLN A 22 7.528 -14.321 -2.959 1.00 0.00 C ATOM 335 OE1 GLN A 22 8.019 -13.771 -3.924 1.00 0.00 O ATOM 336 NE2 GLN A 22 8.296 -14.901 -2.077 1.00 0.00 N ATOM 0 H GLN A 22 4.440 -13.627 -0.234 1.00 0.00 H new ATOM 0 HA GLN A 22 3.652 -15.391 -2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 22 6.150 -15.066 -0.725 1.00 0.00 H new ATOM 0 HB3 GLN A 22 6.007 -16.337 -1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.517 -14.617 -3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.658 -13.346 -2.493 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.883 -15.363 -1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.309 -14.892 -2.198 1.00 0.00 H new ATOM 345 N ASN A 23 3.547 -16.448 0.635 1.00 0.00 N ATOM 346 CA ASN A 23 3.150 -17.617 1.483 1.00 0.00 C ATOM 347 C ASN A 23 1.648 -17.583 1.789 1.00 0.00 C ATOM 348 O ASN A 23 1.140 -18.435 2.489 1.00 0.00 O ATOM 349 CB ASN A 23 3.935 -17.574 2.792 1.00 0.00 C ATOM 350 CG ASN A 23 5.402 -17.892 2.500 1.00 0.00 C ATOM 351 OD1 ASN A 23 5.712 -18.521 1.507 1.00 0.00 O ATOM 352 ND2 ASN A 23 6.325 -17.480 3.325 1.00 0.00 N ATOM 0 H ASN A 23 3.662 -15.569 1.140 1.00 0.00 H new ATOM 0 HA ASN A 23 3.372 -18.536 0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.847 -16.590 3.252 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.527 -18.295 3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.306 -17.686 3.137 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.065 -16.952 4.158 1.00 0.00 H new ATOM 359 N GLN A 24 0.923 -16.609 1.293 1.00 0.00 N ATOM 360 CA GLN A 24 -0.543 -16.558 1.596 1.00 0.00 C ATOM 361 C GLN A 24 -1.317 -17.418 0.585 1.00 0.00 C ATOM 362 O GLN A 24 -1.268 -17.192 -0.608 1.00 0.00 O ATOM 363 CB GLN A 24 -1.036 -15.096 1.554 1.00 0.00 C ATOM 364 CG GLN A 24 -1.275 -14.632 0.112 1.00 0.00 C ATOM 365 CD GLN A 24 -1.464 -13.115 0.097 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.268 -12.459 1.100 1.00 0.00 O ATOM 367 NE2 GLN A 24 -1.835 -12.525 -1.005 1.00 0.00 N ATOM 0 H GLN A 24 1.276 -15.858 0.700 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.718 -16.956 2.595 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.959 -15.004 2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.300 -14.448 2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.430 -14.911 -0.517 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.156 -15.124 -0.300 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.000 -13.076 -1.848 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.960 -11.513 -1.024 1.00 0.00 H new ATOM 376 N LYS A 25 -2.036 -18.402 1.058 1.00 0.00 N ATOM 377 CA LYS A 25 -2.825 -19.266 0.132 1.00 0.00 C ATOM 378 C LYS A 25 -4.101 -18.524 -0.274 1.00 0.00 C ATOM 379 O LYS A 25 -4.618 -18.696 -1.360 1.00 0.00 O ATOM 380 CB LYS A 25 -3.193 -20.579 0.840 1.00 0.00 C ATOM 381 CG LYS A 25 -4.022 -21.488 -0.085 1.00 0.00 C ATOM 382 CD LYS A 25 -3.229 -21.846 -1.349 1.00 0.00 C ATOM 383 CE LYS A 25 -3.863 -23.063 -2.025 1.00 0.00 C ATOM 384 NZ LYS A 25 -3.277 -23.231 -3.385 1.00 0.00 N ATOM 0 H LYS A 25 -2.111 -18.644 2.046 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.234 -19.493 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.285 -21.098 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.759 -20.362 1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.300 -22.399 0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.949 -20.985 -0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.219 -21.000 -2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.192 -22.060 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.688 -23.958 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.943 -22.933 -2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.706 -24.058 -3.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.466 -22.380 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.250 -23.373 -3.305 1.00 0.00 H new ATOM 398 N ALA A 26 -4.613 -17.702 0.607 1.00 0.00 N ATOM 399 CA ALA A 26 -5.863 -16.938 0.310 1.00 0.00 C ATOM 400 C ALA A 26 -5.724 -15.525 0.908 1.00 0.00 C ATOM 401 O ALA A 26 -4.861 -15.283 1.728 1.00 0.00 O ATOM 402 CB ALA A 26 -7.059 -17.690 0.942 1.00 0.00 C ATOM 0 H ALA A 26 -4.214 -17.526 1.529 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.029 -16.852 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.981 -17.146 0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.125 -18.691 0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.915 -17.763 2.020 1.00 0.00 H new ATOM 408 N PRO A 27 -6.561 -14.596 0.508 1.00 0.00 N ATOM 409 CA PRO A 27 -6.479 -13.211 1.043 1.00 0.00 C ATOM 410 C PRO A 27 -6.233 -13.195 2.560 1.00 0.00 C ATOM 411 O PRO A 27 -6.843 -13.935 3.308 1.00 0.00 O ATOM 412 CB PRO A 27 -7.860 -12.643 0.672 1.00 0.00 C ATOM 413 CG PRO A 27 -8.470 -13.553 -0.416 1.00 0.00 C ATOM 414 CD PRO A 27 -7.638 -14.850 -0.488 1.00 0.00 C ATOM 0 HA PRO A 27 -5.648 -12.633 0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.507 -12.610 1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.766 -11.621 0.306 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.509 -13.782 -0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.466 -13.046 -1.381 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.231 -15.728 -0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.236 -15.019 -1.487 1.00 0.00 H new ATOM 422 N LEU A 28 -5.334 -12.365 3.012 1.00 0.00 N ATOM 423 CA LEU A 28 -5.033 -12.304 4.470 1.00 0.00 C ATOM 424 C LEU A 28 -6.276 -11.847 5.237 1.00 0.00 C ATOM 425 O LEU A 28 -6.576 -12.345 6.304 1.00 0.00 O ATOM 426 CB LEU A 28 -3.889 -11.312 4.709 1.00 0.00 C ATOM 427 CG LEU A 28 -2.617 -11.785 3.988 1.00 0.00 C ATOM 428 CD1 LEU A 28 -1.595 -10.646 3.973 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.008 -13.000 4.711 1.00 0.00 C ATOM 0 H LEU A 28 -4.793 -11.724 2.432 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.740 -13.293 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.174 -10.324 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.696 -11.218 5.778 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.875 -12.073 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.690 -10.976 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.015 -9.787 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.351 -10.362 4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.108 -13.322 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.753 -12.724 5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.731 -13.815 4.724 1.00 0.00 H new ATOM 441 N CYS A 29 -7.002 -10.901 4.707 1.00 0.00 N ATOM 442 CA CYS A 29 -8.224 -10.416 5.413 1.00 0.00 C ATOM 443 C CYS A 29 -9.397 -11.349 5.112 1.00 0.00 C ATOM 444 O CYS A 29 -9.347 -12.154 4.203 1.00 0.00 O ATOM 445 CB CYS A 29 -8.569 -9.006 4.940 1.00 0.00 C ATOM 446 SG CYS A 29 -7.338 -7.839 5.567 1.00 0.00 S ATOM 0 H CYS A 29 -6.803 -10.443 3.817 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.033 -10.403 6.486 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.595 -8.973 3.851 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.562 -8.726 5.291 1.00 0.00 H new ATOM 451 N ASN A 30 -10.454 -11.246 5.868 1.00 0.00 N ATOM 452 CA ASN A 30 -11.631 -12.127 5.628 1.00 0.00 C ATOM 453 C ASN A 30 -12.316 -11.724 4.317 1.00 0.00 C ATOM 454 O ASN A 30 -13.486 -11.397 4.295 1.00 0.00 O ATOM 455 CB ASN A 30 -12.616 -11.980 6.789 1.00 0.00 C ATOM 456 CG ASN A 30 -12.007 -12.593 8.052 1.00 0.00 C ATOM 457 OD1 ASN A 30 -11.102 -13.401 7.975 1.00 0.00 O ATOM 458 ND2 ASN A 30 -12.465 -12.237 9.220 1.00 0.00 N ATOM 0 H ASN A 30 -10.554 -10.589 6.642 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.303 -13.164 5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.844 -10.927 6.956 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.556 -12.476 6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.064 -12.636 10.068 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.224 -11.559 9.285 1.00 0.00 H new ATOM 465 N GLY A 31 -11.599 -11.747 3.226 1.00 0.00 N ATOM 466 CA GLY A 31 -12.212 -11.368 1.918 1.00 0.00 C ATOM 467 C GLY A 31 -12.470 -9.858 1.882 1.00 0.00 C ATOM 468 O GLY A 31 -13.268 -9.375 1.102 1.00 0.00 O ATOM 0 H GLY A 31 -10.615 -12.012 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.550 -11.652 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.147 -11.909 1.774 1.00 0.00 H new ATOM 472 N SER A 32 -11.803 -9.107 2.718 1.00 0.00 N ATOM 473 CA SER A 32 -12.018 -7.632 2.725 1.00 0.00 C ATOM 474 C SER A 32 -11.654 -7.054 1.355 1.00 0.00 C ATOM 475 O SER A 32 -10.691 -7.462 0.733 1.00 0.00 O ATOM 476 CB SER A 32 -11.140 -6.983 3.794 1.00 0.00 C ATOM 477 OG SER A 32 -11.541 -7.446 5.077 1.00 0.00 O ATOM 0 H SER A 32 -11.121 -9.451 3.394 1.00 0.00 H new ATOM 0 HA SER A 32 -13.066 -7.427 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.092 -7.227 3.618 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.227 -5.898 3.743 1.00 0.00 H new ATOM 0 HG SER A 32 -10.978 -7.033 5.765 1.00 0.00 H new ATOM 483 N MET A 33 -12.421 -6.100 0.886 1.00 0.00 N ATOM 484 CA MET A 33 -12.143 -5.466 -0.440 1.00 0.00 C ATOM 485 C MET A 33 -11.769 -3.997 -0.214 1.00 0.00 C ATOM 486 O MET A 33 -12.117 -3.417 0.794 1.00 0.00 O ATOM 487 CB MET A 33 -13.397 -5.558 -1.315 1.00 0.00 C ATOM 488 CG MET A 33 -13.760 -7.031 -1.518 1.00 0.00 C ATOM 489 SD MET A 33 -15.241 -7.154 -2.553 1.00 0.00 S ATOM 490 CE MET A 33 -14.503 -6.570 -4.102 1.00 0.00 C ATOM 0 H MET A 33 -13.238 -5.730 1.372 1.00 0.00 H new ATOM 0 HA MET A 33 -11.321 -5.979 -0.940 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.225 -5.029 -0.843 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.220 -5.078 -2.278 1.00 0.00 H new ATOM 0 HG2 MET A 33 -12.930 -7.559 -1.988 1.00 0.00 H new ATOM 0 HG3 MET A 33 -13.937 -7.509 -0.554 1.00 0.00 H new ATOM 0 HE1 MET A 33 -14.744 -7.267 -4.905 1.00 0.00 H new ATOM 0 HE2 MET A 33 -14.900 -5.584 -4.345 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.421 -6.507 -3.988 1.00 0.00 H new ATOM 500 N VAL A 34 -11.055 -3.392 -1.136 1.00 0.00 N ATOM 501 CA VAL A 34 -10.647 -1.955 -0.966 1.00 0.00 C ATOM 502 C VAL A 34 -11.010 -1.159 -2.218 1.00 0.00 C ATOM 503 O VAL A 34 -11.240 -1.709 -3.277 1.00 0.00 O ATOM 504 CB VAL A 34 -9.133 -1.869 -0.748 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.791 -2.321 0.670 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.424 -2.773 -1.756 1.00 0.00 C ATOM 0 H VAL A 34 -10.736 -3.830 -2.000 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.170 -1.542 -0.103 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.805 -0.839 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.713 -2.259 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.297 -1.677 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.118 -3.351 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.346 -2.714 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.754 -3.802 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.665 -2.449 -2.768 1.00 0.00 H new ATOM 516 N TRP A 35 -11.064 0.137 -2.096 1.00 0.00 N ATOM 517 CA TRP A 35 -11.413 0.984 -3.267 1.00 0.00 C ATOM 518 C TRP A 35 -10.230 1.046 -4.229 1.00 0.00 C ATOM 519 O TRP A 35 -9.109 1.296 -3.833 1.00 0.00 O ATOM 520 CB TRP A 35 -11.736 2.400 -2.789 1.00 0.00 C ATOM 521 CG TRP A 35 -12.927 2.357 -1.893 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.880 2.244 -0.547 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.337 2.422 -2.252 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.170 2.229 -0.055 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.105 2.338 -1.066 1.00 0.00 C ATOM 526 CE3 TRP A 35 -15.019 2.543 -3.479 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.498 2.372 -1.093 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.422 2.579 -3.508 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.160 2.493 -2.318 1.00 0.00 C ATOM 0 H TRP A 35 -10.881 0.647 -1.232 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.277 0.555 -3.775 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.882 2.821 -2.258 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.932 3.049 -3.643 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -11.980 2.176 0.047 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.404 2.147 0.934 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.460 2.608 -4.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.062 2.305 -0.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.937 2.674 -4.453 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.239 2.520 -2.348 1.00 0.00 H new ATOM 540 N SER A 36 -10.468 0.833 -5.493 1.00 0.00 N ATOM 541 CA SER A 36 -9.351 0.896 -6.476 1.00 0.00 C ATOM 542 C SER A 36 -8.893 2.350 -6.614 1.00 0.00 C ATOM 543 O SER A 36 -9.667 3.269 -6.431 1.00 0.00 O ATOM 544 CB SER A 36 -9.832 0.385 -7.836 1.00 0.00 C ATOM 545 OG SER A 36 -10.868 1.230 -8.321 1.00 0.00 O ATOM 0 H SER A 36 -11.384 0.619 -5.887 1.00 0.00 H new ATOM 0 HA SER A 36 -8.524 0.276 -6.131 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.003 0.366 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.196 -0.638 -7.744 1.00 0.00 H new ATOM 0 HG SER A 36 -11.175 0.904 -9.193 1.00 0.00 H new ATOM 551 N ILE A 37 -7.640 2.568 -6.931 1.00 0.00 N ATOM 552 CA ILE A 37 -7.120 3.969 -7.082 1.00 0.00 C ATOM 553 C ILE A 37 -6.274 4.079 -8.351 1.00 0.00 C ATOM 554 O ILE A 37 -5.827 3.090 -8.900 1.00 0.00 O ATOM 555 CB ILE A 37 -6.246 4.334 -5.875 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.173 3.249 -5.658 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.128 4.451 -4.630 1.00 0.00 C ATOM 558 CD1 ILE A 37 -4.025 3.811 -4.810 1.00 0.00 C ATOM 0 H ILE A 37 -6.950 1.835 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.969 4.650 -7.145 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.751 5.287 -6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.613 2.384 -5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.792 2.905 -6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.511 4.710 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.877 5.227 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.625 3.499 -4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.271 3.038 -4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.577 4.662 -5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.411 4.133 -3.843 1.00 0.00 H new ATOM 570 N ASN A 38 -6.023 5.279 -8.802 1.00 0.00 N ATOM 571 CA ASN A 38 -5.175 5.461 -10.012 1.00 0.00 C ATOM 572 C ASN A 38 -3.722 5.527 -9.549 1.00 0.00 C ATOM 573 O ASN A 38 -3.366 6.339 -8.720 1.00 0.00 O ATOM 574 CB ASN A 38 -5.551 6.769 -10.714 1.00 0.00 C ATOM 575 CG ASN A 38 -7.020 6.713 -11.130 1.00 0.00 C ATOM 576 OD1 ASN A 38 -7.454 5.755 -11.739 1.00 0.00 O ATOM 577 ND2 ASN A 38 -7.810 7.703 -10.820 1.00 0.00 N ATOM 0 H ASN A 38 -6.370 6.142 -8.383 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.320 4.637 -10.711 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.382 7.615 -10.048 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.919 6.921 -11.589 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.794 7.674 -11.089 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.444 8.506 -10.309 1.00 0.00 H new ATOM 584 N LEU A 39 -2.880 4.670 -10.052 1.00 0.00 N ATOM 585 CA LEU A 39 -1.461 4.686 -9.602 1.00 0.00 C ATOM 586 C LEU A 39 -0.696 5.781 -10.351 1.00 0.00 C ATOM 587 O LEU A 39 -0.486 5.702 -11.546 1.00 0.00 O ATOM 588 CB LEU A 39 -0.813 3.322 -9.882 1.00 0.00 C ATOM 589 CG LEU A 39 -1.437 2.216 -8.998 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.241 2.531 -7.502 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.938 2.069 -9.307 1.00 0.00 C ATOM 0 H LEU A 39 -3.110 3.963 -10.751 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.426 4.888 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.939 3.065 -10.934 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.259 3.380 -9.694 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.931 1.278 -9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.688 1.739 -6.902 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.176 2.597 -7.281 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.720 3.481 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.364 1.287 -8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.445 3.013 -9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.069 1.802 -10.356 1.00 0.00 H new ATOM 603 N THR A 40 -0.276 6.807 -9.651 1.00 0.00 N ATOM 604 CA THR A 40 0.478 7.916 -10.308 1.00 0.00 C ATOM 605 C THR A 40 1.526 8.480 -9.341 1.00 0.00 C ATOM 606 O THR A 40 2.557 7.878 -9.108 1.00 0.00 O ATOM 607 CB THR A 40 -0.501 9.023 -10.710 1.00 0.00 C ATOM 608 OG1 THR A 40 -1.283 9.400 -9.584 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.418 8.507 -11.819 1.00 0.00 C ATOM 0 H THR A 40 -0.425 6.923 -8.649 1.00 0.00 H new ATOM 0 HA THR A 40 0.984 7.534 -11.195 1.00 0.00 H new ATOM 0 HB THR A 40 0.055 9.889 -11.068 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.412 10.371 -9.586 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.117 9.292 -12.108 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.818 8.219 -12.682 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.974 7.642 -11.458 1.00 0.00 H new ATOM 617 N ALA A 41 1.280 9.644 -8.795 1.00 0.00 N ATOM 618 CA ALA A 41 2.269 10.271 -7.861 1.00 0.00 C ATOM 619 C ALA A 41 1.993 9.879 -6.402 1.00 0.00 C ATOM 620 O ALA A 41 2.654 9.027 -5.842 1.00 0.00 O ATOM 621 CB ALA A 41 2.176 11.790 -7.994 1.00 0.00 C ATOM 0 H ALA A 41 0.434 10.190 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 41 3.265 9.917 -8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.892 12.259 -7.319 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.402 12.080 -9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.168 12.117 -7.738 1.00 0.00 H new ATOM 627 N GLY A 42 1.043 10.521 -5.776 1.00 0.00 N ATOM 628 CA GLY A 42 0.739 10.221 -4.344 1.00 0.00 C ATOM 629 C GLY A 42 0.181 8.805 -4.189 1.00 0.00 C ATOM 630 O GLY A 42 -0.810 8.591 -3.519 1.00 0.00 O ATOM 0 H GLY A 42 0.460 11.245 -6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.644 10.327 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.018 10.944 -3.962 1.00 0.00 H new ATOM 634 N MET A 43 0.804 7.834 -4.793 1.00 0.00 N ATOM 635 CA MET A 43 0.298 6.441 -4.663 1.00 0.00 C ATOM 636 C MET A 43 0.347 6.013 -3.192 1.00 0.00 C ATOM 637 O MET A 43 -0.547 5.359 -2.696 1.00 0.00 O ATOM 638 CB MET A 43 1.187 5.507 -5.478 1.00 0.00 C ATOM 639 CG MET A 43 1.135 5.917 -6.947 1.00 0.00 C ATOM 640 SD MET A 43 1.954 4.661 -7.960 1.00 0.00 S ATOM 641 CE MET A 43 3.587 4.788 -7.195 1.00 0.00 C ATOM 0 H MET A 43 1.639 7.944 -5.369 1.00 0.00 H new ATOM 0 HA MET A 43 -0.729 6.393 -5.026 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.213 5.551 -5.112 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.852 4.476 -5.364 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.099 6.036 -7.265 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.623 6.882 -7.083 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.347 4.459 -7.904 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.777 5.824 -6.913 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.623 4.158 -6.306 1.00 0.00 H new ATOM 651 N TYR A 44 1.393 6.373 -2.496 1.00 0.00 N ATOM 652 CA TYR A 44 1.514 5.983 -1.060 1.00 0.00 C ATOM 653 C TYR A 44 0.353 6.576 -0.258 1.00 0.00 C ATOM 654 O TYR A 44 -0.293 5.901 0.520 1.00 0.00 O ATOM 655 CB TYR A 44 2.834 6.521 -0.496 1.00 0.00 C ATOM 656 CG TYR A 44 3.995 5.771 -1.106 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.477 4.611 -0.489 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.589 6.233 -2.290 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.549 3.911 -1.052 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.664 5.531 -2.853 1.00 0.00 C ATOM 661 CZ TYR A 44 6.143 4.370 -2.233 1.00 0.00 C ATOM 662 OH TYR A 44 7.200 3.677 -2.786 1.00 0.00 O ATOM 0 H TYR A 44 2.171 6.922 -2.861 1.00 0.00 H new ATOM 0 HA TYR A 44 1.491 4.896 -0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.924 7.586 -0.710 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.848 6.412 0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.021 4.256 0.423 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.219 7.128 -2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.919 3.015 -0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.123 5.885 -3.764 1.00 0.00 H new ATOM 0 HH TYR A 44 7.495 4.129 -3.604 1.00 0.00 H new ATOM 672 N CYS A 45 0.097 7.842 -0.435 1.00 0.00 N ATOM 673 CA CYS A 45 -1.006 8.502 0.319 1.00 0.00 C ATOM 674 C CYS A 45 -2.358 7.933 -0.120 1.00 0.00 C ATOM 675 O CYS A 45 -3.176 7.559 0.697 1.00 0.00 O ATOM 676 CB CYS A 45 -0.966 10.005 0.041 1.00 0.00 C ATOM 677 SG CYS A 45 0.565 10.728 0.700 1.00 0.00 S ATOM 0 H CYS A 45 0.608 8.452 -1.074 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.878 8.318 1.386 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.029 10.185 -1.032 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.830 10.489 0.496 1.00 0.00 H new ATOM 682 N ALA A 46 -2.609 7.871 -1.397 1.00 0.00 N ATOM 683 CA ALA A 46 -3.917 7.333 -1.870 1.00 0.00 C ATOM 684 C ALA A 46 -4.087 5.886 -1.392 1.00 0.00 C ATOM 685 O ALA A 46 -5.126 5.495 -0.888 1.00 0.00 O ATOM 686 CB ALA A 46 -3.962 7.375 -3.400 1.00 0.00 C ATOM 0 H ALA A 46 -1.968 8.168 -2.133 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.725 7.942 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.918 6.982 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.848 8.405 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.152 6.768 -3.805 1.00 0.00 H new ATOM 692 N ALA A 47 -3.074 5.085 -1.556 1.00 0.00 N ATOM 693 CA ALA A 47 -3.167 3.665 -1.122 1.00 0.00 C ATOM 694 C ALA A 47 -3.365 3.593 0.396 1.00 0.00 C ATOM 695 O ALA A 47 -4.085 2.751 0.896 1.00 0.00 O ATOM 696 CB ALA A 47 -1.878 2.927 -1.508 1.00 0.00 C ATOM 0 H ALA A 47 -2.183 5.353 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.018 3.195 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.945 1.887 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.745 2.968 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.027 3.401 -1.019 1.00 0.00 H new ATOM 702 N LEU A 48 -2.710 4.447 1.135 1.00 0.00 N ATOM 703 CA LEU A 48 -2.837 4.404 2.621 1.00 0.00 C ATOM 704 C LEU A 48 -4.292 4.623 3.055 1.00 0.00 C ATOM 705 O LEU A 48 -4.822 3.866 3.839 1.00 0.00 O ATOM 706 CB LEU A 48 -1.938 5.489 3.233 1.00 0.00 C ATOM 707 CG LEU A 48 -2.049 5.483 4.767 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.649 4.105 5.322 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.115 6.559 5.341 1.00 0.00 C ATOM 0 H LEU A 48 -2.092 5.173 0.774 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.525 3.421 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.903 5.320 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.224 6.467 2.846 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.079 5.693 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.731 4.113 6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.311 3.342 4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.620 3.883 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.188 6.561 6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.088 6.344 5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.406 7.536 4.956 1.00 0.00 H new ATOM 721 N GLU A 49 -4.948 5.641 2.564 1.00 0.00 N ATOM 722 CA GLU A 49 -6.360 5.866 2.991 1.00 0.00 C ATOM 723 C GLU A 49 -7.203 4.641 2.640 1.00 0.00 C ATOM 724 O GLU A 49 -8.051 4.229 3.406 1.00 0.00 O ATOM 725 CB GLU A 49 -6.943 7.112 2.315 1.00 0.00 C ATOM 726 CG GLU A 49 -6.633 7.091 0.821 1.00 0.00 C ATOM 727 CD GLU A 49 -7.284 8.302 0.149 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.085 8.955 0.797 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.973 8.553 -1.004 1.00 0.00 O ATOM 0 H GLU A 49 -4.575 6.316 1.897 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.376 6.023 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.021 7.149 2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.525 8.011 2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.555 7.109 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.006 6.169 0.374 1.00 0.00 H new ATOM 736 N SER A 50 -6.983 4.048 1.501 1.00 0.00 N ATOM 737 CA SER A 50 -7.787 2.846 1.137 1.00 0.00 C ATOM 738 C SER A 50 -7.565 1.753 2.187 1.00 0.00 C ATOM 739 O SER A 50 -8.481 1.053 2.574 1.00 0.00 O ATOM 740 CB SER A 50 -7.355 2.333 -0.236 1.00 0.00 C ATOM 741 OG SER A 50 -7.720 3.285 -1.228 1.00 0.00 O ATOM 0 H SER A 50 -6.289 4.338 0.812 1.00 0.00 H new ATOM 0 HA SER A 50 -8.844 3.112 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.278 2.167 -0.253 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.828 1.373 -0.444 1.00 0.00 H new ATOM 0 HG SER A 50 -7.443 2.961 -2.110 1.00 0.00 H new ATOM 747 N LEU A 51 -6.352 1.597 2.645 1.00 0.00 N ATOM 748 CA LEU A 51 -6.064 0.550 3.669 1.00 0.00 C ATOM 749 C LEU A 51 -6.717 0.930 5.004 1.00 0.00 C ATOM 750 O LEU A 51 -7.236 0.089 5.709 1.00 0.00 O ATOM 751 CB LEU A 51 -4.551 0.423 3.863 1.00 0.00 C ATOM 752 CG LEU A 51 -3.907 -0.169 2.602 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.383 -0.113 2.750 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.364 -1.631 2.397 1.00 0.00 C ATOM 0 H LEU A 51 -5.546 2.150 2.354 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.470 -0.402 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.120 1.401 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.339 -0.213 4.722 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.216 0.411 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.915 -0.532 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.067 0.923 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.081 -0.691 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.898 -2.035 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.069 -2.229 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.448 -1.661 2.288 1.00 0.00 H new ATOM 766 N ILE A 52 -6.686 2.186 5.360 1.00 0.00 N ATOM 767 CA ILE A 52 -7.296 2.614 6.655 1.00 0.00 C ATOM 768 C ILE A 52 -8.761 2.164 6.715 1.00 0.00 C ATOM 769 O ILE A 52 -9.362 2.134 7.770 1.00 0.00 O ATOM 770 CB ILE A 52 -7.208 4.146 6.776 1.00 0.00 C ATOM 771 CG1 ILE A 52 -5.739 4.583 6.945 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.035 4.639 7.968 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.097 3.947 8.193 1.00 0.00 C ATOM 0 H ILE A 52 -6.265 2.935 4.811 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.755 2.155 7.482 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.609 4.586 5.863 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.171 4.300 6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.689 5.669 7.023 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.961 5.724 8.038 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.078 4.355 7.830 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.655 4.189 8.885 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.062 4.278 8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.650 4.251 9.082 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.124 2.861 8.103 1.00 0.00 H new ATOM 785 N ASN A 53 -9.341 1.808 5.599 1.00 0.00 N ATOM 786 CA ASN A 53 -10.766 1.357 5.612 1.00 0.00 C ATOM 787 C ASN A 53 -10.825 -0.135 5.950 1.00 0.00 C ATOM 788 O ASN A 53 -11.862 -0.664 6.296 1.00 0.00 O ATOM 789 CB ASN A 53 -11.389 1.593 4.232 1.00 0.00 C ATOM 790 CG ASN A 53 -11.536 3.098 3.987 1.00 0.00 C ATOM 791 OD1 ASN A 53 -12.070 3.810 4.814 1.00 0.00 O ATOM 792 ND2 ASN A 53 -11.082 3.615 2.877 1.00 0.00 N ATOM 0 H ASN A 53 -8.893 1.809 4.683 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.320 1.922 6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.764 1.147 3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.363 1.108 4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.176 4.616 2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.634 3.018 2.182 1.00 0.00 H new ATOM 799 N VAL A 54 -9.713 -0.817 5.857 1.00 0.00 N ATOM 800 CA VAL A 54 -9.691 -2.276 6.177 1.00 0.00 C ATOM 801 C VAL A 54 -9.347 -2.462 7.660 1.00 0.00 C ATOM 802 O VAL A 54 -8.298 -2.050 8.117 1.00 0.00 O ATOM 803 CB VAL A 54 -8.632 -2.961 5.310 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.721 -4.475 5.495 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.876 -2.614 3.839 1.00 0.00 C ATOM 0 H VAL A 54 -8.816 -0.425 5.572 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.667 -2.718 5.975 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.642 -2.616 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.967 -4.962 4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.549 -4.724 6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.711 -4.820 5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.122 -3.101 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.867 -2.959 3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.813 -1.534 3.705 1.00 0.00 H new ATOM 815 N SER A 55 -10.227 -3.074 8.415 1.00 0.00 N ATOM 816 CA SER A 55 -9.976 -3.291 9.879 1.00 0.00 C ATOM 817 C SER A 55 -9.996 -4.787 10.194 1.00 0.00 C ATOM 818 O SER A 55 -10.668 -5.561 9.542 1.00 0.00 O ATOM 819 CB SER A 55 -11.074 -2.599 10.686 1.00 0.00 C ATOM 820 OG SER A 55 -11.058 -1.209 10.399 1.00 0.00 O ATOM 0 H SER A 55 -11.119 -3.437 8.078 1.00 0.00 H new ATOM 0 HA SER A 55 -9.002 -2.878 10.140 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.047 -3.023 10.437 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.918 -2.764 11.752 1.00 0.00 H new ATOM 0 HG SER A 55 -11.762 -0.761 10.913 1.00 0.00 H new ATOM 826 N GLY A 56 -9.267 -5.199 11.197 1.00 0.00 N ATOM 827 CA GLY A 56 -9.246 -6.645 11.566 1.00 0.00 C ATOM 828 C GLY A 56 -8.171 -7.373 10.758 1.00 0.00 C ATOM 829 O GLY A 56 -8.327 -8.521 10.395 1.00 0.00 O ATOM 0 H GLY A 56 -8.684 -4.596 11.778 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.048 -6.754 12.632 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.222 -7.092 11.375 1.00 0.00 H new ATOM 833 N CYS A 57 -7.076 -6.720 10.476 1.00 0.00 N ATOM 834 CA CYS A 57 -5.989 -7.384 9.697 1.00 0.00 C ATOM 835 C CYS A 57 -4.635 -6.882 10.203 1.00 0.00 C ATOM 836 O CYS A 57 -4.099 -5.905 9.722 1.00 0.00 O ATOM 837 CB CYS A 57 -6.140 -7.043 8.214 1.00 0.00 C ATOM 838 SG CYS A 57 -7.650 -7.796 7.564 1.00 0.00 S ATOM 0 H CYS A 57 -6.886 -5.756 10.751 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.052 -8.465 9.824 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.176 -5.962 8.082 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.274 -7.404 7.658 1.00 0.00 H new ATOM 843 N SER A 58 -4.081 -7.540 11.179 1.00 0.00 N ATOM 844 CA SER A 58 -2.766 -7.104 11.727 1.00 0.00 C ATOM 845 C SER A 58 -1.685 -7.208 10.644 1.00 0.00 C ATOM 846 O SER A 58 -0.774 -6.408 10.581 1.00 0.00 O ATOM 847 CB SER A 58 -2.386 -8.001 12.905 1.00 0.00 C ATOM 848 OG SER A 58 -1.235 -7.468 13.546 1.00 0.00 O ATOM 0 H SER A 58 -4.483 -8.365 11.624 1.00 0.00 H new ATOM 0 HA SER A 58 -2.843 -6.069 12.059 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.214 -8.064 13.611 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.186 -9.014 12.556 1.00 0.00 H new ATOM 0 HG SER A 58 -0.988 -8.039 14.303 1.00 0.00 H new ATOM 854 N ALA A 59 -1.768 -8.210 9.815 1.00 0.00 N ATOM 855 CA ALA A 59 -0.739 -8.410 8.754 1.00 0.00 C ATOM 856 C ALA A 59 -0.509 -7.136 7.923 1.00 0.00 C ATOM 857 O ALA A 59 0.547 -6.967 7.343 1.00 0.00 O ATOM 858 CB ALA A 59 -1.191 -9.542 7.832 1.00 0.00 C ATOM 0 H ALA A 59 -2.512 -8.907 9.826 1.00 0.00 H new ATOM 0 HA ALA A 59 0.204 -8.660 9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.445 -9.696 7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.306 -10.459 8.411 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.145 -9.280 7.375 1.00 0.00 H new ATOM 864 N ILE A 60 -1.471 -6.241 7.842 1.00 0.00 N ATOM 865 CA ILE A 60 -1.270 -4.991 7.023 1.00 0.00 C ATOM 866 C ILE A 60 -1.044 -3.779 7.930 1.00 0.00 C ATOM 867 O ILE A 60 -0.678 -2.716 7.467 1.00 0.00 O ATOM 868 CB ILE A 60 -2.494 -4.751 6.129 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.756 -4.586 6.980 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.673 -5.942 5.182 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.904 -4.122 6.086 1.00 0.00 C ATOM 0 H ILE A 60 -2.378 -6.318 8.302 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.386 -5.126 6.399 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.335 -3.839 5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.012 -5.530 7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.582 -3.861 7.775 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.542 -5.774 4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.784 -6.050 4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.821 -6.851 5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.806 -4.002 6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.645 -3.168 5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.081 -4.864 5.307 1.00 0.00 H new ATOM 883 N GLU A 61 -1.244 -3.914 9.209 1.00 0.00 N ATOM 884 CA GLU A 61 -1.018 -2.743 10.103 1.00 0.00 C ATOM 885 C GLU A 61 0.443 -2.302 9.974 1.00 0.00 C ATOM 886 O GLU A 61 0.744 -1.126 9.920 1.00 0.00 O ATOM 887 CB GLU A 61 -1.339 -3.126 11.547 1.00 0.00 C ATOM 888 CG GLU A 61 -2.853 -3.297 11.695 1.00 0.00 C ATOM 889 CD GLU A 61 -3.184 -3.717 13.128 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.262 -4.041 13.857 1.00 0.00 O ATOM 891 OE2 GLU A 61 -4.356 -3.717 13.468 1.00 0.00 O ATOM 0 H GLU A 61 -1.550 -4.770 9.671 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.670 -1.919 9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.828 -4.051 11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.979 -2.356 12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.360 -2.363 11.453 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.215 -4.048 10.992 1.00 0.00 H new ATOM 898 N LYS A 62 1.351 -3.241 9.890 1.00 0.00 N ATOM 899 CA LYS A 62 2.789 -2.879 9.728 1.00 0.00 C ATOM 900 C LYS A 62 2.957 -2.116 8.415 1.00 0.00 C ATOM 901 O LYS A 62 3.703 -1.159 8.323 1.00 0.00 O ATOM 902 CB LYS A 62 3.643 -4.149 9.683 1.00 0.00 C ATOM 903 CG LYS A 62 3.663 -4.801 11.065 1.00 0.00 C ATOM 904 CD LYS A 62 4.518 -6.072 11.022 1.00 0.00 C ATOM 905 CE LYS A 62 4.534 -6.721 12.406 1.00 0.00 C ATOM 906 NZ LYS A 62 3.165 -7.194 12.746 1.00 0.00 N ATOM 0 H LYS A 62 1.157 -4.242 9.927 1.00 0.00 H new ATOM 0 HA LYS A 62 3.108 -2.262 10.568 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.240 -4.845 8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.658 -3.906 9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.065 -4.105 11.801 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.648 -5.044 11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.116 -6.769 10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.534 -5.830 10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.233 -7.557 12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.879 -6.005 13.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.222 -7.913 13.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.593 -6.392 13.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.721 -7.609 11.902 1.00 0.00 H new ATOM 920 N THR A 63 2.266 -2.546 7.397 1.00 0.00 N ATOM 921 CA THR A 63 2.370 -1.874 6.075 1.00 0.00 C ATOM 922 C THR A 63 1.944 -0.413 6.212 1.00 0.00 C ATOM 923 O THR A 63 2.528 0.470 5.619 1.00 0.00 O ATOM 924 CB THR A 63 1.459 -2.580 5.065 1.00 0.00 C ATOM 925 OG1 THR A 63 1.856 -3.940 4.935 1.00 0.00 O ATOM 926 CG2 THR A 63 1.581 -1.887 3.707 1.00 0.00 C ATOM 0 H THR A 63 1.628 -3.342 7.426 1.00 0.00 H new ATOM 0 HA THR A 63 3.401 -1.921 5.725 1.00 0.00 H new ATOM 0 HB THR A 63 0.427 -2.534 5.412 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.272 -4.391 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.935 -2.386 2.985 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.281 -0.844 3.803 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.615 -1.937 3.364 1.00 0.00 H new ATOM 934 N GLN A 64 0.928 -0.148 6.985 1.00 0.00 N ATOM 935 CA GLN A 64 0.465 1.260 7.147 1.00 0.00 C ATOM 936 C GLN A 64 1.597 2.115 7.720 1.00 0.00 C ATOM 937 O GLN A 64 1.786 3.250 7.329 1.00 0.00 O ATOM 938 CB GLN A 64 -0.720 1.299 8.113 1.00 0.00 C ATOM 939 CG GLN A 64 -1.942 0.664 7.452 1.00 0.00 C ATOM 940 CD GLN A 64 -3.061 0.536 8.484 1.00 0.00 C ATOM 941 OE1 GLN A 64 -2.802 0.437 9.667 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.303 0.533 8.087 1.00 0.00 N ATOM 0 H GLN A 64 0.399 -0.843 7.511 1.00 0.00 H new ATOM 0 HA GLN A 64 0.166 1.650 6.174 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.472 0.765 9.030 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.940 2.329 8.393 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.274 1.274 6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.686 -0.317 7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.521 0.616 7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.056 0.448 8.769 1.00 0.00 H new ATOM 951 N ARG A 65 2.343 1.589 8.653 1.00 0.00 N ATOM 952 CA ARG A 65 3.450 2.386 9.248 1.00 0.00 C ATOM 953 C ARG A 65 4.480 2.727 8.166 1.00 0.00 C ATOM 954 O ARG A 65 4.932 3.851 8.058 1.00 0.00 O ATOM 955 CB ARG A 65 4.132 1.574 10.354 1.00 0.00 C ATOM 956 CG ARG A 65 3.180 1.409 11.541 1.00 0.00 C ATOM 957 CD ARG A 65 3.901 0.672 12.673 1.00 0.00 C ATOM 958 NE ARG A 65 4.393 -0.644 12.177 1.00 0.00 N ATOM 959 CZ ARG A 65 5.270 -1.315 12.873 1.00 0.00 C ATOM 960 NH1 ARG A 65 5.706 -0.836 14.005 1.00 0.00 N ATOM 961 NH2 ARG A 65 5.713 -2.464 12.437 1.00 0.00 N ATOM 0 H ARG A 65 2.234 0.646 9.027 1.00 0.00 H new ATOM 0 HA ARG A 65 3.042 3.306 9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.424 0.596 9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.045 2.076 10.676 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.840 2.385 11.887 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.294 0.852 11.236 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.736 1.271 13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.224 0.525 13.514 1.00 0.00 H new ATOM 0 HE ARG A 65 4.045 -1.020 11.295 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.362 0.062 14.345 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.391 -1.359 14.550 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.374 -2.838 11.551 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.398 -2.987 12.983 1.00 0.00 H new ATOM 975 N MET A 66 4.859 1.763 7.367 1.00 0.00 N ATOM 976 CA MET A 66 5.864 2.031 6.298 1.00 0.00 C ATOM 977 C MET A 66 5.292 3.026 5.285 1.00 0.00 C ATOM 978 O MET A 66 5.978 3.912 4.816 1.00 0.00 O ATOM 979 CB MET A 66 6.223 0.721 5.591 1.00 0.00 C ATOM 980 CG MET A 66 6.900 -0.225 6.590 1.00 0.00 C ATOM 981 SD MET A 66 7.736 -1.563 5.700 1.00 0.00 S ATOM 982 CE MET A 66 6.299 -2.639 5.489 1.00 0.00 C ATOM 0 H MET A 66 4.516 0.803 7.409 1.00 0.00 H new ATOM 0 HA MET A 66 6.762 2.456 6.747 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.325 0.256 5.184 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.889 0.918 4.751 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.619 0.326 7.196 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.158 -0.638 7.273 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.560 -3.470 4.834 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.989 -3.026 6.460 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.481 -2.071 5.046 1.00 0.00 H new ATOM 992 N LEU A 67 4.038 2.892 4.947 1.00 0.00 N ATOM 993 CA LEU A 67 3.428 3.840 3.970 1.00 0.00 C ATOM 994 C LEU A 67 3.465 5.252 4.554 1.00 0.00 C ATOM 995 O LEU A 67 3.725 6.215 3.861 1.00 0.00 O ATOM 996 CB LEU A 67 1.971 3.444 3.708 1.00 0.00 C ATOM 997 CG LEU A 67 1.897 2.107 2.952 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.442 1.627 2.935 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.393 2.274 1.504 1.00 0.00 C ATOM 0 H LEU A 67 3.411 2.170 5.303 1.00 0.00 H new ATOM 0 HA LEU A 67 3.987 3.808 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.436 3.362 4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.476 4.223 3.128 1.00 0.00 H new ATOM 0 HG LEU A 67 2.532 1.378 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.378 0.679 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.092 1.492 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.180 2.369 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.333 1.317 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.771 3.005 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.427 2.618 1.511 1.00 0.00 H new ATOM 1011 N SER A 68 3.204 5.380 5.827 1.00 0.00 N ATOM 1012 CA SER A 68 3.216 6.726 6.465 1.00 0.00 C ATOM 1013 C SER A 68 4.575 7.391 6.229 1.00 0.00 C ATOM 1014 O SER A 68 4.672 8.595 6.094 1.00 0.00 O ATOM 1015 CB SER A 68 2.974 6.578 7.968 1.00 0.00 C ATOM 1016 OG SER A 68 1.635 6.151 8.186 1.00 0.00 O ATOM 0 H SER A 68 2.982 4.607 6.454 1.00 0.00 H new ATOM 0 HA SER A 68 2.430 7.343 6.029 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.672 5.856 8.392 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.152 7.528 8.472 1.00 0.00 H new ATOM 0 HG SER A 68 1.552 5.202 7.955 1.00 0.00 H new ATOM 1022 N GLY A 69 5.625 6.619 6.180 1.00 0.00 N ATOM 1023 CA GLY A 69 6.974 7.211 5.954 1.00 0.00 C ATOM 1024 C GLY A 69 6.967 8.028 4.659 1.00 0.00 C ATOM 1025 O GLY A 69 7.650 9.025 4.540 1.00 0.00 O ATOM 0 H GLY A 69 5.608 5.605 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.249 7.847 6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.723 6.421 5.894 1.00 0.00 H new ATOM 1029 N PHE A 70 6.194 7.616 3.687 1.00 0.00 N ATOM 1030 CA PHE A 70 6.136 8.371 2.399 1.00 0.00 C ATOM 1031 C PHE A 70 4.987 9.382 2.462 1.00 0.00 C ATOM 1032 O PHE A 70 4.881 10.266 1.637 1.00 0.00 O ATOM 1033 CB PHE A 70 5.872 7.394 1.250 1.00 0.00 C ATOM 1034 CG PHE A 70 7.032 6.436 1.101 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.105 6.754 0.257 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.028 5.223 1.796 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.170 5.859 0.110 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.094 4.329 1.652 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.164 4.647 0.808 1.00 0.00 C ATOM 0 H PHE A 70 5.600 6.788 3.730 1.00 0.00 H new ATOM 0 HA PHE A 70 7.081 8.888 2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.954 6.838 1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.725 7.945 0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.110 7.691 -0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.201 4.976 2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.996 6.104 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.091 3.394 2.192 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.986 3.956 0.695 1.00 0.00 H new ATOM 1049 N CYS A 71 4.126 9.254 3.441 1.00 0.00 N ATOM 1050 CA CYS A 71 2.970 10.198 3.585 1.00 0.00 C ATOM 1051 C CYS A 71 2.889 10.677 5.042 1.00 0.00 C ATOM 1052 O CYS A 71 2.084 10.187 5.809 1.00 0.00 O ATOM 1053 CB CYS A 71 1.674 9.468 3.218 1.00 0.00 C ATOM 1054 SG CYS A 71 1.634 9.174 1.431 1.00 0.00 S ATOM 0 H CYS A 71 4.174 8.528 4.156 1.00 0.00 H new ATOM 0 HA CYS A 71 3.108 11.054 2.924 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.612 8.521 3.755 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.811 10.062 3.519 1.00 0.00 H new ATOM 1059 N PRO A 72 3.722 11.619 5.431 1.00 0.00 N ATOM 1060 CA PRO A 72 3.715 12.131 6.836 1.00 0.00 C ATOM 1061 C PRO A 72 2.338 12.649 7.277 1.00 0.00 C ATOM 1062 O PRO A 72 2.163 13.074 8.402 1.00 0.00 O ATOM 1063 CB PRO A 72 4.758 13.266 6.773 1.00 0.00 C ATOM 1064 CG PRO A 72 5.568 13.085 5.479 1.00 0.00 C ATOM 1065 CD PRO A 72 4.726 12.237 4.515 1.00 0.00 C ATOM 0 HA PRO A 72 3.943 11.358 7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.266 14.239 6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.414 13.231 7.643 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.799 14.053 5.034 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.519 12.595 5.689 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.253 12.846 3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.327 11.485 4.003 1.00 0.00 H new ATOM 1073 N HIS A 73 1.359 12.606 6.407 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.009 13.086 6.785 1.00 0.00 C ATOM 1075 C HIS A 73 -0.881 11.876 7.137 1.00 0.00 C ATOM 1076 O HIS A 73 -1.096 10.996 6.328 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.627 13.865 5.614 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.007 12.922 4.505 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.258 12.330 4.435 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -0.312 12.459 3.416 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -2.277 11.550 3.338 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -1.117 11.593 2.681 1.00 0.00 N ATOM 0 H HIS A 73 1.447 12.260 5.452 1.00 0.00 H new ATOM 0 HA HIS A 73 0.055 13.749 7.648 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.507 14.410 5.955 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.083 14.605 5.245 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.705 12.726 3.167 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.128 10.961 3.028 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.872 11.098 1.824 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.370 11.822 8.344 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.212 10.666 8.763 1.00 0.00 C ATOM 1092 C LYS A 74 -3.639 10.819 8.227 1.00 0.00 C ATOM 1093 O LYS A 74 -4.258 11.855 8.367 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.259 10.601 10.290 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.877 10.251 10.838 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.943 10.190 12.365 1.00 0.00 C ATOM 1097 CE LYS A 74 0.438 9.841 12.923 1.00 0.00 C ATOM 1098 NZ LYS A 74 0.380 9.807 14.412 1.00 0.00 N ATOM 0 H LYS A 74 -1.222 12.532 9.062 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.776 9.752 8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.588 11.559 10.694 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.986 9.854 10.609 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.546 9.293 10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.148 10.997 10.523 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.276 11.148 12.764 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.673 9.443 12.678 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.763 8.874 12.539 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.171 10.577 12.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.319 9.570 14.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.088 10.739 14.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.308 9.089 14.716 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.168 9.778 7.629 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.566 9.823 7.093 1.00 0.00 C ATOM 1114 C VAL A 75 -6.471 8.989 8.009 1.00 0.00 C ATOM 1115 O VAL A 75 -6.249 7.811 8.212 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.589 9.235 5.664 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -5.342 10.341 4.631 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.498 8.167 5.528 1.00 0.00 C ATOM 0 H VAL A 75 -3.686 8.890 7.488 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.921 10.853 7.060 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.567 8.789 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.361 9.913 3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.120 11.099 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.369 10.798 4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.517 7.754 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.523 8.616 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.677 7.370 6.250 1.00 0.00 H new ATOM 1128 N SER A 76 -7.495 9.587 8.560 1.00 0.00 N ATOM 1129 CA SER A 76 -8.419 8.827 9.456 1.00 0.00 C ATOM 1130 C SER A 76 -9.578 8.276 8.628 1.00 0.00 C ATOM 1131 O SER A 76 -9.781 8.663 7.495 1.00 0.00 O ATOM 1132 CB SER A 76 -8.968 9.760 10.536 1.00 0.00 C ATOM 1133 OG SER A 76 -9.690 10.816 9.918 1.00 0.00 O ATOM 0 H SER A 76 -7.732 10.570 8.428 1.00 0.00 H new ATOM 0 HA SER A 76 -7.878 8.007 9.927 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.618 9.208 11.215 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.151 10.163 11.135 1.00 0.00 H new ATOM 0 HG SER A 76 -10.045 11.416 10.607 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.339 7.377 9.182 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.483 6.804 8.423 1.00 0.00 C ATOM 1141 C ALA A 77 -12.476 7.916 8.090 1.00 0.00 C ATOM 1142 O ALA A 77 -13.465 7.695 7.420 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.176 5.738 9.273 1.00 0.00 C ATOM 0 H ALA A 77 -10.219 7.014 10.128 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.119 6.351 7.501 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.014 5.318 8.717 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.466 4.946 9.513 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.542 6.189 10.195 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.221 9.111 8.556 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.147 10.252 8.275 1.00 0.00 C ATOM 1151 C GLY A 78 -12.570 11.113 7.149 1.00 0.00 C ATOM 1152 O GLY A 78 -13.293 11.648 6.334 1.00 0.00 O ATOM 0 H GLY A 78 -11.407 9.348 9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.130 9.875 7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.283 10.854 9.174 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.271 11.255 7.097 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.650 12.088 6.022 1.00 0.00 C ATOM 1158 C GLN A 79 -10.306 11.204 4.818 1.00 0.00 C ATOM 1159 O GLN A 79 -9.608 10.217 4.939 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.374 12.742 6.558 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.747 13.810 7.592 1.00 0.00 C ATOM 1162 CD GLN A 79 -8.483 14.319 8.291 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -7.448 13.685 8.239 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -8.526 15.446 8.951 1.00 0.00 N ATOM 0 H GLN A 79 -10.613 10.831 7.751 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.353 12.861 5.712 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.729 11.990 7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.811 13.192 5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.262 14.637 7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.437 13.393 8.326 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.395 15.979 8.995 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.691 15.793 9.422 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.792 11.563 3.656 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.506 10.768 2.418 1.00 0.00 C ATOM 1175 C PHE A 80 -10.017 11.714 1.322 1.00 0.00 C ATOM 1176 O PHE A 80 -10.387 12.870 1.290 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.781 10.075 1.949 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.178 9.023 2.953 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.486 7.806 3.002 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.240 9.260 3.834 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -11.855 6.828 3.933 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.610 8.283 4.763 1.00 0.00 C ATOM 1183 CZ PHE A 80 -12.917 7.066 4.815 1.00 0.00 C ATOM 0 H PHE A 80 -11.382 12.382 3.509 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.744 10.019 2.632 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.583 10.804 1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.622 9.619 0.972 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.668 7.622 2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.774 10.198 3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.321 5.890 3.971 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.430 8.466 5.441 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.201 6.312 5.534 1.00 0.00 H new ATOM 1193 N SER A 81 -9.175 11.236 0.433 1.00 0.00 N ATOM 1194 CA SER A 81 -8.643 12.112 -0.665 1.00 0.00 C ATOM 1195 C SER A 81 -8.946 11.518 -2.052 1.00 0.00 C ATOM 1196 O SER A 81 -9.387 12.217 -2.944 1.00 0.00 O ATOM 1197 CB SER A 81 -7.129 12.245 -0.500 1.00 0.00 C ATOM 1198 OG SER A 81 -6.843 12.864 0.749 1.00 0.00 O ATOM 0 H SER A 81 -8.832 10.275 0.420 1.00 0.00 H new ATOM 0 HA SER A 81 -9.128 13.086 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.659 11.263 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.714 12.837 -1.316 1.00 0.00 H new ATOM 0 HG SER A 81 -5.873 12.949 0.858 1.00 0.00 H new ATOM 1204 N SER A 82 -8.665 10.249 -2.258 1.00 0.00 N ATOM 1205 CA SER A 82 -8.883 9.627 -3.613 1.00 0.00 C ATOM 1206 C SER A 82 -10.160 8.772 -3.679 1.00 0.00 C ATOM 1207 O SER A 82 -10.465 8.205 -4.709 1.00 0.00 O ATOM 1208 CB SER A 82 -7.682 8.741 -3.943 1.00 0.00 C ATOM 1209 OG SER A 82 -7.728 8.379 -5.317 1.00 0.00 O ATOM 0 H SER A 82 -8.295 9.616 -1.549 1.00 0.00 H new ATOM 0 HA SER A 82 -8.996 10.438 -4.332 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.754 9.270 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.693 7.847 -3.319 1.00 0.00 H new ATOM 0 HG SER A 82 -8.657 8.213 -5.581 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.911 8.658 -2.619 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.154 7.820 -2.684 1.00 0.00 C ATOM 1217 C LEU A 83 -13.313 8.662 -3.234 1.00 0.00 C ATOM 1218 O LEU A 83 -14.468 8.318 -3.074 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.512 7.304 -1.281 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.651 6.081 -0.927 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.185 6.503 -0.758 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.166 5.464 0.381 1.00 0.00 C ATOM 0 H LEU A 83 -10.726 9.100 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.978 6.970 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.356 8.093 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.568 7.037 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.716 5.347 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.582 5.630 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.822 6.939 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.108 7.239 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.559 4.596 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.101 6.201 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.204 5.156 0.254 1.00 0.00 H new ATOM 1234 N HIS A 84 -13.019 9.759 -3.882 1.00 0.00 N ATOM 1235 CA HIS A 84 -14.114 10.608 -4.437 1.00 0.00 C ATOM 1236 C HIS A 84 -14.662 9.953 -5.707 1.00 0.00 C ATOM 1237 O HIS A 84 -15.764 10.230 -6.136 1.00 0.00 O ATOM 1238 CB HIS A 84 -13.573 11.999 -4.790 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.718 12.517 -3.668 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.710 11.931 -2.413 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.830 13.565 -3.598 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.845 12.621 -1.650 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -11.281 13.628 -2.323 1.00 0.00 N ATOM 0 H HIS A 84 -12.073 10.102 -4.050 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.903 10.705 -3.691 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.990 11.949 -5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.400 12.684 -4.974 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.595 14.237 -4.410 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.631 12.389 -0.617 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.595 14.299 -1.976 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.900 9.085 -6.312 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.378 8.416 -7.552 1.00 0.00 C ATOM 1253 C VAL A 85 -15.385 7.332 -7.187 1.00 0.00 C ATOM 1254 O VAL A 85 -15.280 6.692 -6.158 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.196 7.783 -8.282 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -12.181 8.868 -8.636 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.538 6.736 -7.378 1.00 0.00 C ATOM 0 H VAL A 85 -12.968 8.811 -6.001 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.852 9.153 -8.200 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.545 7.301 -9.195 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.336 8.419 -9.157 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.652 9.611 -9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.830 9.350 -7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.694 6.284 -7.899 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.186 7.214 -6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -13.265 5.964 -7.127 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.363 7.119 -8.025 1.00 0.00 N ATOM 1268 CA ARG A 86 -17.387 6.074 -7.735 1.00 0.00 C ATOM 1269 C ARG A 86 -16.932 4.752 -8.345 1.00 0.00 C ATOM 1270 O ARG A 86 -17.690 4.059 -8.992 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.728 6.485 -8.351 1.00 0.00 C ATOM 1272 CG ARG A 86 -19.259 7.726 -7.632 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.603 8.131 -8.241 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.978 9.509 -7.772 1.00 0.00 N ATOM 1275 CZ ARG A 86 -21.076 9.799 -6.502 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -21.032 8.858 -5.598 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -21.273 11.037 -6.136 1.00 0.00 N ATOM 0 H ARG A 86 -16.498 7.625 -8.900 1.00 0.00 H new ATOM 0 HA ARG A 86 -17.505 5.963 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.604 6.692 -9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.445 5.668 -8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.377 7.521 -6.568 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.545 8.545 -7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.541 8.111 -9.329 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.374 7.416 -7.953 1.00 0.00 H new ATOM 0 HE ARG A 86 -21.161 10.236 -8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -20.920 7.884 -5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -21.110 9.097 -4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -21.349 11.771 -6.840 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -21.350 11.270 -5.146 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.695 4.395 -8.137 1.00 0.00 N ATOM 1292 CA ASP A 87 -15.185 3.117 -8.698 1.00 0.00 C ATOM 1293 C ASP A 87 -15.641 1.963 -7.810 1.00 0.00 C ATOM 1294 O ASP A 87 -16.143 2.162 -6.723 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.657 3.152 -8.740 1.00 0.00 C ATOM 1296 CG ASP A 87 -13.202 4.145 -9.808 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.973 4.404 -10.716 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -12.086 4.629 -9.701 1.00 0.00 O ATOM 0 H ASP A 87 -15.016 4.936 -7.601 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.572 2.980 -9.708 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.262 3.442 -7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.265 2.159 -8.960 1.00 0.00 H new ATOM 1303 N THR A 88 -15.475 0.756 -8.270 1.00 0.00 N ATOM 1304 CA THR A 88 -15.901 -0.421 -7.466 1.00 0.00 C ATOM 1305 C THR A 88 -14.733 -0.868 -6.589 1.00 0.00 C ATOM 1306 O THR A 88 -13.615 -0.425 -6.759 1.00 0.00 O ATOM 1307 CB THR A 88 -16.309 -1.556 -8.409 1.00 0.00 C ATOM 1308 OG1 THR A 88 -15.156 -2.053 -9.077 1.00 0.00 O ATOM 1309 CG2 THR A 88 -17.311 -1.030 -9.438 1.00 0.00 C ATOM 0 H THR A 88 -15.060 0.533 -9.175 1.00 0.00 H new ATOM 0 HA THR A 88 -16.750 -0.158 -6.836 1.00 0.00 H new ATOM 0 HB THR A 88 -16.770 -2.359 -7.834 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.415 -2.781 -9.680 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.601 -1.838 -10.109 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.194 -0.650 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.853 -0.227 -10.015 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.983 -1.730 -5.643 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.889 -2.195 -4.742 1.00 0.00 C ATOM 1319 C LYS A 89 -13.283 -3.491 -5.283 1.00 0.00 C ATOM 1320 O LYS A 89 -13.894 -4.197 -6.060 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.457 -2.424 -3.344 1.00 0.00 C ATOM 1322 CG LYS A 89 -14.995 -1.092 -2.811 1.00 0.00 C ATOM 1323 CD LYS A 89 -15.574 -1.274 -1.399 1.00 0.00 C ATOM 1324 CE LYS A 89 -14.452 -1.176 -0.358 1.00 0.00 C ATOM 1325 NZ LYS A 89 -15.025 -1.375 1.001 1.00 0.00 N ATOM 0 H LYS A 89 -15.900 -2.134 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.106 -1.438 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.253 -3.168 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.684 -2.813 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.195 -0.352 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.766 -0.710 -3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.329 -0.512 -1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -16.070 -2.242 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.688 -1.928 -0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.965 -0.203 -0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.267 -1.309 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.739 -0.642 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.470 -2.313 1.056 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.071 -3.795 -4.885 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.381 -5.033 -5.375 1.00 0.00 C ATOM 1341 C ILE A 90 -10.823 -5.823 -4.182 1.00 0.00 C ATOM 1342 O ILE A 90 -10.698 -5.308 -3.089 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.230 -4.619 -6.299 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.326 -3.615 -5.572 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.798 -3.963 -7.558 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.100 -3.310 -6.433 1.00 0.00 C ATOM 0 H ILE A 90 -11.523 -3.232 -4.234 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.088 -5.661 -5.916 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.652 -5.501 -6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.877 -2.697 -5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.015 -4.021 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.980 -3.668 -8.215 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.444 -4.671 -8.077 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.376 -3.081 -7.280 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.460 -2.597 -5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.545 -4.230 -6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.420 -2.885 -7.384 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.486 -7.072 -4.386 1.00 0.00 N ATOM 1359 CA GLU A 91 -9.938 -7.897 -3.266 1.00 0.00 C ATOM 1360 C GLU A 91 -8.585 -7.331 -2.829 1.00 0.00 C ATOM 1361 O GLU A 91 -7.803 -6.872 -3.638 1.00 0.00 O ATOM 1362 CB GLU A 91 -9.755 -9.342 -3.738 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.112 -9.930 -4.138 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.525 -9.392 -5.511 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -10.700 -8.766 -6.157 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -12.661 -9.615 -5.895 1.00 0.00 O ATOM 0 H GLU A 91 -10.567 -7.556 -5.280 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.632 -7.873 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.070 -9.374 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.308 -9.940 -2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.053 -11.018 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.865 -9.670 -3.394 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.305 -7.348 -1.552 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.006 -6.798 -1.060 1.00 0.00 C ATOM 1375 C VAL A 92 -5.836 -7.559 -1.700 1.00 0.00 C ATOM 1376 O VAL A 92 -4.836 -6.975 -2.069 1.00 0.00 O ATOM 1377 CB VAL A 92 -6.948 -6.948 0.470 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.539 -6.621 0.987 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -7.961 -5.993 1.113 1.00 0.00 C ATOM 0 H VAL A 92 -8.920 -7.719 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.930 -5.745 -1.332 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.190 -7.978 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.514 -6.732 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.819 -7.303 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.283 -5.595 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.922 -6.097 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.718 -4.966 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.964 -6.235 0.761 1.00 0.00 H new ATOM 1389 N ALA A 93 -5.943 -8.853 -1.820 1.00 0.00 N ATOM 1390 CA ALA A 93 -4.825 -9.639 -2.420 1.00 0.00 C ATOM 1391 C ALA A 93 -4.420 -9.034 -3.767 1.00 0.00 C ATOM 1392 O ALA A 93 -3.249 -8.922 -4.084 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.277 -11.085 -2.631 1.00 0.00 C ATOM 0 H ALA A 93 -6.753 -9.400 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.970 -9.613 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.462 -11.661 -3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.556 -11.523 -1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.136 -11.104 -3.302 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.373 -8.647 -4.565 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.037 -8.061 -5.892 1.00 0.00 C ATOM 1401 C GLN A 94 -4.538 -6.628 -5.696 1.00 0.00 C ATOM 1402 O GLN A 94 -3.677 -6.156 -6.411 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.287 -8.066 -6.775 1.00 0.00 C ATOM 1404 CG GLN A 94 -5.941 -7.523 -8.164 1.00 0.00 C ATOM 1405 CD GLN A 94 -7.193 -7.537 -9.044 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -8.185 -8.149 -8.699 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -7.193 -6.874 -10.168 1.00 0.00 N ATOM 0 H GLN A 94 -6.370 -8.711 -4.357 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.256 -8.649 -6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.681 -9.079 -6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.068 -7.456 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.552 -6.508 -8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.157 -8.129 -8.618 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.360 -6.361 -10.457 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.026 -6.869 -10.757 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.064 -5.936 -4.723 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.612 -4.540 -4.470 1.00 0.00 C ATOM 1418 C PHE A 95 -3.114 -4.541 -4.156 1.00 0.00 C ATOM 1419 O PHE A 95 -2.363 -3.729 -4.658 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.375 -3.973 -3.271 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.872 -2.584 -2.961 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.722 -2.419 -2.180 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.551 -1.463 -3.452 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.250 -1.134 -1.889 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.078 -0.177 -3.160 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.928 -0.013 -2.379 1.00 0.00 C ATOM 0 H PHE A 95 -5.788 -6.278 -4.092 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.802 -3.929 -5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.443 -3.944 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.243 -4.620 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.198 -3.284 -1.802 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.438 -1.589 -4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.363 -1.008 -1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.601 0.689 -3.538 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.564 0.979 -2.155 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.675 -5.443 -3.320 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.228 -5.491 -2.965 1.00 0.00 C ATOM 1438 C VAL A 96 -0.389 -5.818 -4.206 1.00 0.00 C ATOM 1439 O VAL A 96 0.608 -5.178 -4.476 1.00 0.00 O ATOM 1440 CB VAL A 96 -0.994 -6.574 -1.910 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.498 -6.648 -1.584 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -1.779 -6.242 -0.639 1.00 0.00 C ATOM 0 H VAL A 96 -3.256 -6.149 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.932 -4.518 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.334 -7.534 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.668 -7.419 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.056 -6.893 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.835 -5.685 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.608 -7.017 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.447 -5.281 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.843 -6.191 -0.871 1.00 0.00 H new ATOM 1452 N LYS A 97 -0.770 -6.820 -4.951 1.00 0.00 N ATOM 1453 CA LYS A 97 0.028 -7.194 -6.154 1.00 0.00 C ATOM 1454 C LYS A 97 0.091 -6.018 -7.140 1.00 0.00 C ATOM 1455 O LYS A 97 1.144 -5.675 -7.637 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.629 -8.402 -6.820 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.456 -9.627 -5.921 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.111 -10.838 -6.583 1.00 0.00 C ATOM 1459 CE LYS A 97 -0.972 -12.058 -5.673 1.00 0.00 C ATOM 1460 NZ LYS A 97 0.448 -12.207 -5.248 1.00 0.00 N ATOM 0 H LYS A 97 -1.596 -7.394 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 97 1.046 -7.443 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.688 -8.207 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.178 -8.585 -7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.603 -9.820 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.907 -9.443 -4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.164 -10.634 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.643 -11.036 -7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.614 -11.947 -4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.301 -12.955 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.614 -13.183 -4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.075 -11.994 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.648 -11.548 -4.468 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.013 -5.382 -7.424 1.00 0.00 N ATOM 1475 CA ASP A 98 -0.964 -4.233 -8.377 1.00 0.00 C ATOM 1476 C ASP A 98 -0.032 -3.158 -7.815 1.00 0.00 C ATOM 1477 O ASP A 98 0.749 -2.560 -8.530 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.371 -3.660 -8.556 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.214 -4.636 -9.380 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -2.630 -5.431 -10.100 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.428 -4.572 -9.280 1.00 0.00 O ATOM 0 H ASP A 98 -1.934 -5.602 -7.045 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.590 -4.568 -9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.834 -3.493 -7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.321 -2.693 -9.056 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.096 -2.925 -6.536 1.00 0.00 N ATOM 1487 CA LEU A 99 0.797 -1.910 -5.912 1.00 0.00 C ATOM 1488 C LEU A 99 2.260 -2.351 -6.077 1.00 0.00 C ATOM 1489 O LEU A 99 3.145 -1.541 -6.268 1.00 0.00 O ATOM 1490 CB LEU A 99 0.447 -1.776 -4.422 1.00 0.00 C ATOM 1491 CG LEU A 99 1.375 -0.759 -3.739 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.232 0.622 -4.395 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.007 -0.663 -2.254 1.00 0.00 C ATOM 0 H LEU A 99 -0.731 -3.396 -5.892 1.00 0.00 H new ATOM 0 HA LEU A 99 0.661 -0.944 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.591 -1.460 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.538 -2.746 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 99 2.408 -1.090 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.896 1.331 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.497 0.553 -5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.201 0.964 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.662 0.057 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.029 -0.338 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.126 -1.640 -1.786 1.00 0.00 H new ATOM 1505 N LEU A 100 2.514 -3.630 -5.980 1.00 0.00 N ATOM 1506 CA LEU A 100 3.915 -4.144 -6.099 1.00 0.00 C ATOM 1507 C LEU A 100 4.544 -3.720 -7.431 1.00 0.00 C ATOM 1508 O LEU A 100 5.694 -3.323 -7.474 1.00 0.00 O ATOM 1509 CB LEU A 100 3.890 -5.677 -6.013 1.00 0.00 C ATOM 1510 CG LEU A 100 5.310 -6.257 -6.131 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.168 -5.810 -4.940 1.00 0.00 C ATOM 1512 CD2 LEU A 100 5.216 -7.785 -6.154 1.00 0.00 C ATOM 0 H LEU A 100 1.807 -4.348 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 100 4.513 -3.726 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.445 -5.985 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.261 -6.080 -6.807 1.00 0.00 H new ATOM 0 HG LEU A 100 5.775 -5.896 -7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.170 -6.228 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.228 -4.722 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.716 -6.163 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.216 -8.210 -6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.749 -8.135 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.616 -8.100 -7.008 1.00 0.00 H new ATOM 1524 N LEU A 101 3.829 -3.808 -8.519 1.00 0.00 N ATOM 1525 CA LEU A 101 4.454 -3.414 -9.819 1.00 0.00 C ATOM 1526 C LEU A 101 4.887 -1.946 -9.754 1.00 0.00 C ATOM 1527 O LEU A 101 5.960 -1.589 -10.199 1.00 0.00 O ATOM 1528 CB LEU A 101 3.456 -3.605 -10.973 1.00 0.00 C ATOM 1529 CG LEU A 101 3.361 -5.090 -11.380 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.628 -5.540 -12.132 1.00 0.00 C ATOM 1531 CD2 LEU A 101 3.175 -5.958 -10.133 1.00 0.00 C ATOM 0 H LEU A 101 2.862 -4.127 -8.569 1.00 0.00 H new ATOM 0 HA LEU A 101 5.324 -4.046 -9.998 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.473 -3.243 -10.672 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.767 -3.008 -11.830 1.00 0.00 H new ATOM 0 HG LEU A 101 2.504 -5.206 -12.043 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.534 -6.591 -12.407 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.749 -4.939 -13.033 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.498 -5.410 -11.489 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.108 -7.006 -10.426 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.025 -5.821 -9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.259 -5.666 -9.620 1.00 0.00 H new ATOM 1543 N HIS A 102 4.071 -1.090 -9.205 1.00 0.00 N ATOM 1544 CA HIS A 102 4.456 0.348 -9.121 1.00 0.00 C ATOM 1545 C HIS A 102 5.595 0.549 -8.115 1.00 0.00 C ATOM 1546 O HIS A 102 6.444 1.390 -8.304 1.00 0.00 O ATOM 1547 CB HIS A 102 3.245 1.198 -8.714 1.00 0.00 C ATOM 1548 CG HIS A 102 2.335 1.365 -9.899 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.468 2.418 -10.792 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.285 0.617 -10.357 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.519 2.274 -11.734 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.768 1.192 -11.517 1.00 0.00 N ATOM 0 H HIS A 102 3.158 -1.321 -8.812 1.00 0.00 H new ATOM 0 HA HIS A 102 4.802 0.666 -10.105 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.709 0.720 -7.894 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.575 2.173 -8.354 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.913 -0.283 -9.890 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.381 2.951 -12.564 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.015 0.858 -12.079 1.00 0.00 H new ATOM 1560 N LEU A 103 5.628 -0.185 -7.037 1.00 0.00 N ATOM 1561 CA LEU A 103 6.729 0.045 -6.056 1.00 0.00 C ATOM 1562 C LEU A 103 8.093 -0.161 -6.728 1.00 0.00 C ATOM 1563 O LEU A 103 8.933 0.713 -6.702 1.00 0.00 O ATOM 1564 CB LEU A 103 6.612 -0.927 -4.874 1.00 0.00 C ATOM 1565 CG LEU A 103 5.394 -0.577 -4.001 1.00 0.00 C ATOM 1566 CD1 LEU A 103 5.202 -1.672 -2.940 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.602 0.782 -3.300 1.00 0.00 C ATOM 0 H LEU A 103 4.960 -0.916 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 103 6.646 1.070 -5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.519 -1.948 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.520 -0.887 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 103 4.511 -0.512 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.340 -1.429 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.036 -2.630 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.093 -1.734 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.730 1.013 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.488 0.733 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.735 1.562 -4.050 1.00 0.00 H new ATOM 1579 N LYS A 104 8.335 -1.301 -7.320 1.00 0.00 N ATOM 1580 CA LYS A 104 9.668 -1.519 -7.965 1.00 0.00 C ATOM 1581 C LYS A 104 9.835 -0.656 -9.226 1.00 0.00 C ATOM 1582 O LYS A 104 10.937 -0.412 -9.669 1.00 0.00 O ATOM 1583 CB LYS A 104 9.867 -2.998 -8.309 1.00 0.00 C ATOM 1584 CG LYS A 104 8.784 -3.483 -9.271 1.00 0.00 C ATOM 1585 CD LYS A 104 9.033 -4.961 -9.577 1.00 0.00 C ATOM 1586 CE LYS A 104 7.900 -5.509 -10.440 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.559 -4.528 -11.510 1.00 0.00 N ATOM 0 H LYS A 104 7.681 -2.081 -7.386 1.00 0.00 H new ATOM 0 HA LYS A 104 10.430 -1.217 -7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.850 -3.142 -8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.843 -3.594 -7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.797 -3.349 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.804 -2.897 -10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.986 -5.079 -10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.102 -5.527 -8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.197 -6.458 -10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.024 -5.707 -9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.129 -5.027 -12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.886 -3.828 -11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.424 -4.044 -11.825 1.00 0.00 H new ATOM 1601 N LYS A 105 8.768 -0.207 -9.826 1.00 0.00 N ATOM 1602 CA LYS A 105 8.911 0.616 -11.068 1.00 0.00 C ATOM 1603 C LYS A 105 9.600 1.952 -10.748 1.00 0.00 C ATOM 1604 O LYS A 105 10.485 2.388 -11.457 1.00 0.00 O ATOM 1605 CB LYS A 105 7.520 0.867 -11.656 1.00 0.00 C ATOM 1606 CG LYS A 105 7.624 1.684 -12.947 1.00 0.00 C ATOM 1607 CD LYS A 105 6.219 1.903 -13.512 1.00 0.00 C ATOM 1608 CE LYS A 105 6.306 2.631 -14.855 1.00 0.00 C ATOM 1609 NZ LYS A 105 4.947 2.705 -15.464 1.00 0.00 N ATOM 0 H LYS A 105 7.810 -0.370 -9.517 1.00 0.00 H new ATOM 0 HA LYS A 105 9.526 0.081 -11.792 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.027 -0.084 -11.859 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.903 1.398 -10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.104 2.642 -12.748 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.245 1.161 -13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.715 0.945 -13.640 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.622 2.486 -12.810 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.708 3.634 -14.713 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.988 2.106 -15.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.002 3.199 -16.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.580 1.743 -15.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.309 3.224 -14.827 1.00 0.00 H new ATOM 1623 N LEU A 106 9.208 2.602 -9.688 1.00 0.00 N ATOM 1624 CA LEU A 106 9.847 3.903 -9.323 1.00 0.00 C ATOM 1625 C LEU A 106 11.334 3.674 -9.025 1.00 0.00 C ATOM 1626 O LEU A 106 12.146 4.571 -9.136 1.00 0.00 O ATOM 1627 CB LEU A 106 9.154 4.486 -8.073 1.00 0.00 C ATOM 1628 CG LEU A 106 7.829 5.209 -8.423 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.111 6.635 -8.919 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.044 4.444 -9.499 1.00 0.00 C ATOM 0 H LEU A 106 8.471 2.290 -9.056 1.00 0.00 H new ATOM 0 HA LEU A 106 9.745 4.603 -10.152 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.952 3.683 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.828 5.185 -7.579 1.00 0.00 H new ATOM 0 HG LEU A 106 7.228 5.250 -7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.170 7.129 -9.161 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.626 7.196 -8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.738 6.593 -9.810 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.120 4.977 -9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.647 4.368 -10.404 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.808 3.444 -9.135 1.00 0.00 H new ATOM 1642 N PHE A 107 11.687 2.486 -8.624 1.00 0.00 N ATOM 1643 CA PHE A 107 13.111 2.197 -8.293 1.00 0.00 C ATOM 1644 C PHE A 107 14.006 2.433 -9.514 1.00 0.00 C ATOM 1645 O PHE A 107 15.106 2.936 -9.394 1.00 0.00 O ATOM 1646 CB PHE A 107 13.256 0.751 -7.818 1.00 0.00 C ATOM 1647 CG PHE A 107 14.704 0.488 -7.489 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.230 0.909 -6.261 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.523 -0.171 -8.413 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.574 0.671 -5.958 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.867 -0.411 -8.110 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.394 0.009 -6.882 1.00 0.00 C ATOM 0 H PHE A 107 11.049 1.699 -8.510 1.00 0.00 H new ATOM 0 HA PHE A 107 13.423 2.871 -7.495 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.633 0.578 -6.941 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.914 0.064 -8.592 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.598 1.417 -5.548 1.00 0.00 H new ATOM 0 HD2 PHE A 107 15.117 -0.494 -9.360 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.980 0.997 -5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.499 -0.920 -8.823 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.432 -0.177 -6.647 1.00 0.00 H new ATOM 1662 N ARG A 108 13.565 2.062 -10.684 1.00 0.00 N ATOM 1663 CA ARG A 108 14.422 2.258 -11.889 1.00 0.00 C ATOM 1664 C ARG A 108 14.736 3.744 -12.066 1.00 0.00 C ATOM 1665 O ARG A 108 15.835 4.113 -12.427 1.00 0.00 O ATOM 1666 CB ARG A 108 13.705 1.743 -13.140 1.00 0.00 C ATOM 1667 CG ARG A 108 13.623 0.218 -13.098 1.00 0.00 C ATOM 1668 CD ARG A 108 12.919 -0.279 -14.364 1.00 0.00 C ATOM 1669 NE ARG A 108 12.624 -1.732 -14.230 1.00 0.00 N ATOM 1670 CZ ARG A 108 11.809 -2.313 -15.069 1.00 0.00 C ATOM 1671 NH1 ARG A 108 11.298 -1.632 -16.059 1.00 0.00 N ATOM 1672 NH2 ARG A 108 11.515 -3.576 -14.925 1.00 0.00 N ATOM 0 H ARG A 108 12.655 1.635 -10.858 1.00 0.00 H new ATOM 0 HA ARG A 108 15.348 1.700 -11.751 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.703 2.169 -13.198 1.00 0.00 H new ATOM 0 HB3 ARG A 108 14.239 2.063 -14.034 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.623 -0.211 -13.030 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.077 -0.105 -12.212 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.995 0.278 -14.521 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.549 -0.104 -15.236 1.00 0.00 H new ATOM 0 HE ARG A 108 13.058 -2.274 -13.483 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.535 -0.647 -16.177 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.661 -2.085 -16.715 1.00 0.00 H new ATOM 0 HH21 ARG A 108 11.922 -4.110 -14.157 1.00 0.00 H new ATOM 0 HH22 ARG A 108 10.878 -4.029 -15.580 1.00 0.00 H new ATOM 1686 N GLU A 109 13.787 4.604 -11.824 1.00 0.00 N ATOM 1687 CA GLU A 109 14.054 6.061 -11.992 1.00 0.00 C ATOM 1688 C GLU A 109 14.714 6.612 -10.725 1.00 0.00 C ATOM 1689 O GLU A 109 15.212 7.719 -10.712 1.00 0.00 O ATOM 1690 CB GLU A 109 12.734 6.796 -12.230 1.00 0.00 C ATOM 1691 CG GLU A 109 12.163 6.399 -13.591 1.00 0.00 C ATOM 1692 CD GLU A 109 10.853 7.152 -13.828 1.00 0.00 C ATOM 1693 OE1 GLU A 109 10.919 8.302 -14.232 1.00 0.00 O ATOM 1694 OE2 GLU A 109 9.807 6.568 -13.599 1.00 0.00 O ATOM 0 H GLU A 109 12.844 4.364 -11.519 1.00 0.00 H new ATOM 0 HA GLU A 109 14.718 6.210 -12.844 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.023 6.552 -11.441 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.894 7.873 -12.192 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.878 6.632 -14.380 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.989 5.324 -13.626 1.00 0.00 H new ATOM 1701 N GLY A 110 14.730 5.853 -9.661 1.00 0.00 N ATOM 1702 CA GLY A 110 15.362 6.350 -8.411 1.00 0.00 C ATOM 1703 C GLY A 110 14.541 7.520 -7.870 1.00 0.00 C ATOM 1704 O GLY A 110 14.935 8.191 -6.935 1.00 0.00 O ATOM 0 H GLY A 110 14.334 4.915 -9.607 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.412 5.551 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.386 6.667 -8.607 1.00 0.00 H new ATOM 1708 N ARG A 111 13.393 7.762 -8.450 1.00 0.00 N ATOM 1709 CA ARG A 111 12.529 8.884 -7.975 1.00 0.00 C ATOM 1710 C ARG A 111 11.544 8.334 -6.950 1.00 0.00 C ATOM 1711 O ARG A 111 10.520 7.777 -7.289 1.00 0.00 O ATOM 1712 CB ARG A 111 11.753 9.470 -9.156 1.00 0.00 C ATOM 1713 CG ARG A 111 12.715 10.212 -10.085 1.00 0.00 C ATOM 1714 CD ARG A 111 11.939 10.790 -11.272 1.00 0.00 C ATOM 1715 NE ARG A 111 10.978 11.820 -10.785 1.00 0.00 N ATOM 1716 CZ ARG A 111 10.393 12.622 -11.633 1.00 0.00 C ATOM 1717 NH1 ARG A 111 10.642 12.515 -12.911 1.00 0.00 N ATOM 1718 NH2 ARG A 111 9.553 13.523 -11.205 1.00 0.00 N ATOM 0 H ARG A 111 13.016 7.229 -9.234 1.00 0.00 H new ATOM 0 HA ARG A 111 13.145 9.664 -7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.246 8.674 -9.702 1.00 0.00 H new ATOM 0 HB3 ARG A 111 10.982 10.151 -8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.217 11.012 -9.541 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.490 9.533 -10.440 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.629 11.232 -11.990 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.404 9.995 -11.792 1.00 0.00 H new ATOM 0 HE ARG A 111 10.777 11.898 -9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.293 11.805 -13.246 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.185 13.141 -13.574 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.353 13.601 -10.208 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.096 14.150 -11.867 1.00 0.00 H new ATOM 1732 N PHE A 112 11.861 8.469 -5.695 1.00 0.00 N ATOM 1733 CA PHE A 112 10.971 7.941 -4.623 1.00 0.00 C ATOM 1734 C PHE A 112 9.981 9.023 -4.183 1.00 0.00 C ATOM 1735 O PHE A 112 10.295 10.196 -4.165 1.00 0.00 O ATOM 1736 CB PHE A 112 11.855 7.508 -3.458 1.00 0.00 C ATOM 1737 CG PHE A 112 12.902 6.567 -4.004 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.599 5.214 -4.189 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.166 7.055 -4.354 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.562 4.350 -4.721 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.130 6.189 -4.884 1.00 0.00 C ATOM 1742 CZ PHE A 112 14.827 4.837 -5.068 1.00 0.00 C ATOM 0 H PHE A 112 12.708 8.928 -5.361 1.00 0.00 H new ATOM 0 HA PHE A 112 10.392 7.092 -4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 112 12.325 8.374 -2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.261 7.015 -2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.623 4.837 -3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.398 8.101 -4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.329 3.305 -4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.107 6.565 -5.150 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.569 4.168 -5.478 1.00 0.00 H new ATOM 1752 N ASN A 113 8.782 8.636 -3.832 1.00 0.00 N ATOM 1753 CA ASN A 113 7.764 9.638 -3.399 1.00 0.00 C ATOM 1754 C ASN A 113 8.022 10.030 -1.945 1.00 0.00 C ATOM 1755 CB ASN A 113 6.368 9.029 -3.514 1.00 0.00 C ATOM 1756 CG ASN A 113 6.020 8.837 -4.989 1.00 0.00 C ATOM 1757 OD1 ASN A 113 6.540 9.527 -5.842 1.00 0.00 O ATOM 1758 ND2 ASN A 113 5.157 7.920 -5.330 1.00 0.00 N ATOM 1759 OXT ASN A 113 7.172 9.746 -1.116 1.00 0.00 O ATOM 0 H ASN A 113 8.464 7.667 -3.827 1.00 0.00 H new ATOM 0 HA ASN A 113 7.832 10.521 -4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.332 8.072 -2.993 1.00 0.00 H new ATOM 0 HB3 ASN A 113 5.635 9.679 -3.037 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.920 7.783 -6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.720 7.340 -4.614 1.00 0.00 H new TER 1766 ASN A 113