USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 646 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 GLN : amide:sc= 0 X(o=-1.3,f=-1.6) USER MOD Set 1.2: A 45 GLN :FLIP amide:sc= -1.67 F(o=-4.5,f=-1.3) USER MOD Set 1.3: A 88 SER OG : rot -101:sc= 0.377 USER MOD Set 2.1: A 82 SER OG : rot 152:sc= 1.06! USER MOD Set 2.2: A 84 ASN : amide:sc= -0.317 K(o=0.75,f=-1.6) USER MOD Set 3.1: A 16 TYR OH : rot -60:sc= 0.675 USER MOD Set 3.2: A 65 ASN : amide:sc= -2.12 K(o=-1.4,f=-3!) USER MOD Set 4.1: A 5 HIS :FLIP no HD1:sc= -0.946 F(o=-1.2,f=-0.4) USER MOD Set 4.2: A 8 SER OG : rot 25:sc= 0.55 USER MOD Single : A 1 ILE N :NH3+ 135:sc= 0.19 (180deg=-0.166) USER MOD Single : A 15 SER OG : rot 105:sc= 0.0804 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.497 F(o=-1.9!,f=-0.5) USER MOD Single : A 24 SER OG : rot -101:sc= -0.234 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -117:sc= 0.732 (180deg=-0.675) USER MOD Single : A 33 ASN : amide:sc= 1.15 K(o=1.2,f=-0.13) USER MOD Single : A 35 HIS : no HE2:sc= -0.572! C(o=-0.57!,f=-5.1!) USER MOD Single : A 36 ASN : amide:sc= 0.0411 X(o=0.041,f=-0.028) USER MOD Single : A 37 GLN : amide:sc= -0.601 K(o=-0.6,f=-4!) USER MOD Single : A 40 SER OG : rot 180:sc= 0.339 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 90:sc= 1.24 USER MOD Single : A 49 ASN : amide:sc= 0.975 K(o=0.98,f=-0.055) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.028) USER MOD Single : A 60 ASN : amide:sc= -0.701 K(o=-0.7,f=-4!) USER MOD Single : A 62 ASN : amide:sc= -0.701 K(o=-0.7,f=-13!) USER MOD Single : A 68 SER OG : rot 90:sc= 1.23 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0455) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 79 TYR OH : rot 130:sc= -0.983 USER MOD Single : A 80 THR OG1 : rot 165:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -1.651 4.813 14.490 1.00 0.00 N ATOM 2 CA ILE A 1 -0.897 5.670 13.528 1.00 0.00 C ATOM 3 C ILE A 1 -1.937 6.507 12.752 1.00 0.00 C ATOM 4 O ILE A 1 -3.115 6.212 12.821 1.00 0.00 O ATOM 5 CB ILE A 1 -0.049 4.719 12.567 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.937 5.548 11.678 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.966 3.920 11.669 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.903 4.607 10.878 1.00 0.00 C ATOM 0 H1 ILE A 1 -1.274 3.844 14.461 1.00 0.00 H new ATOM 0 H2 ILE A 1 -1.548 5.196 15.451 1.00 0.00 H new ATOM 0 H3 ILE A 1 -2.658 4.800 14.229 1.00 0.00 H new ATOM 0 HA ILE A 1 -0.200 6.346 14.024 1.00 0.00 H new ATOM 0 HB ILE A 1 0.526 4.043 13.200 1.00 0.00 H new ATOM 0 HG12 ILE A 1 0.371 6.169 10.983 1.00 0.00 H new ATOM 0 HG13 ILE A 1 1.519 6.222 12.306 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -0.371 3.277 11.021 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.629 3.306 12.279 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -1.561 4.600 11.059 1.00 0.00 H new ATOM 0 HD11 ILE A 1 2.577 5.210 10.269 1.00 0.00 H new ATOM 0 HD12 ILE A 1 2.485 4.005 11.576 1.00 0.00 H new ATOM 0 HD13 ILE A 1 1.320 3.951 10.232 1.00 0.00 H new ATOM 22 N ASP A 2 -1.495 7.505 12.033 1.00 0.00 N ATOM 23 CA ASP A 2 -2.456 8.351 11.261 1.00 0.00 C ATOM 24 C ASP A 2 -2.173 8.193 9.761 1.00 0.00 C ATOM 25 O ASP A 2 -1.037 8.060 9.337 1.00 0.00 O ATOM 26 CB ASP A 2 -2.281 9.808 11.746 1.00 0.00 C ATOM 27 CG ASP A 2 -2.574 9.842 13.262 1.00 0.00 C ATOM 28 OD1 ASP A 2 -1.716 9.345 13.983 1.00 0.00 O ATOM 29 OD2 ASP A 2 -3.628 10.346 13.603 1.00 0.00 O ATOM 0 H ASP A 2 -0.514 7.771 11.946 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.491 8.050 11.423 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.268 10.158 11.545 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.960 10.472 11.211 1.00 0.00 H new ATOM 34 N CYS A 3 -3.218 8.207 8.975 1.00 0.00 N ATOM 35 CA CYS A 3 -3.051 8.053 7.500 1.00 0.00 C ATOM 36 C CYS A 3 -2.182 9.174 6.914 1.00 0.00 C ATOM 37 O CYS A 3 -1.653 9.040 5.836 1.00 0.00 O ATOM 38 CB CYS A 3 -4.454 8.025 6.884 1.00 0.00 C ATOM 39 SG CYS A 3 -4.568 7.308 5.231 1.00 0.00 S ATOM 0 H CYS A 3 -4.181 8.319 9.292 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.527 7.126 7.267 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.112 7.465 7.549 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.834 9.046 6.844 1.00 0.00 H new ATOM 44 N GLY A 4 -2.038 10.261 7.631 1.00 0.00 N ATOM 45 CA GLY A 4 -1.197 11.393 7.123 1.00 0.00 C ATOM 46 C GLY A 4 0.225 10.902 6.798 1.00 0.00 C ATOM 47 O GLY A 4 0.754 11.192 5.742 1.00 0.00 O ATOM 0 H GLY A 4 -2.465 10.415 8.545 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.653 11.821 6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.153 12.185 7.870 1.00 0.00 H new ATOM 51 N HIS A 5 0.828 10.155 7.696 1.00 0.00 N ATOM 52 CA HIS A 5 2.223 9.668 7.403 1.00 0.00 C ATOM 53 C HIS A 5 2.126 8.507 6.410 1.00 0.00 C ATOM 54 O HIS A 5 2.893 8.437 5.466 1.00 0.00 O ATOM 55 CB HIS A 5 2.969 9.133 8.666 1.00 0.00 C ATOM 56 CG HIS A 5 4.460 8.921 8.286 1.00 0.00 C ATOM 57 ND1 HIS A 5 5.164 9.294 7.144 1.00 0.00 N flip ATOM 58 CD2 HIS A 5 5.356 8.330 9.013 1.00 0.00 C flip ATOM 59 CE1 HIS A 5 6.423 8.920 7.234 1.00 0.00 C flip ATOM 60 NE2 HIS A 5 6.496 8.331 8.398 1.00 0.00 N flip ATOM 0 H HIS A 5 0.433 9.867 8.591 1.00 0.00 H new ATOM 0 HA HIS A 5 2.783 10.519 7.015 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.882 9.842 9.489 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.525 8.197 9.004 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.178 7.900 9.988 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.213 9.066 6.512 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.349 7.921 8.777 1.00 0.00 H new ATOM 68 N VAL A 6 1.194 7.621 6.630 1.00 0.00 N ATOM 69 CA VAL A 6 1.007 6.449 5.712 1.00 0.00 C ATOM 70 C VAL A 6 0.806 6.951 4.271 1.00 0.00 C ATOM 71 O VAL A 6 1.239 6.326 3.326 1.00 0.00 O ATOM 72 CB VAL A 6 -0.252 5.658 6.062 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.353 4.457 5.148 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.234 5.252 7.518 1.00 0.00 C ATOM 0 H VAL A 6 0.544 7.655 7.415 1.00 0.00 H new ATOM 0 HA VAL A 6 1.892 5.821 5.814 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.133 6.282 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.250 3.888 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.407 4.792 4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.525 3.825 5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.138 4.689 7.750 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.640 4.630 7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.191 6.143 8.144 1.00 0.00 H new ATOM 84 N ASP A 7 0.131 8.061 4.128 1.00 0.00 N ATOM 85 CA ASP A 7 -0.124 8.633 2.770 1.00 0.00 C ATOM 86 C ASP A 7 1.177 8.781 2.012 1.00 0.00 C ATOM 87 O ASP A 7 1.394 8.150 1.004 1.00 0.00 O ATOM 88 CB ASP A 7 -0.825 10.034 2.875 1.00 0.00 C ATOM 89 CG ASP A 7 -2.345 9.891 3.083 1.00 0.00 C ATOM 90 OD1 ASP A 7 -2.885 8.993 2.456 1.00 0.00 O ATOM 91 OD2 ASP A 7 -2.868 10.698 3.832 1.00 0.00 O ATOM 0 H ASP A 7 -0.259 8.602 4.900 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.782 7.948 2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.395 10.596 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.633 10.607 1.968 1.00 0.00 H new ATOM 96 N SER A 8 2.042 9.617 2.489 1.00 0.00 N ATOM 97 CA SER A 8 3.357 9.813 1.805 1.00 0.00 C ATOM 98 C SER A 8 4.152 8.497 1.663 1.00 0.00 C ATOM 99 O SER A 8 5.052 8.394 0.850 1.00 0.00 O ATOM 100 CB SER A 8 4.119 10.827 2.632 1.00 0.00 C ATOM 101 OG SER A 8 3.866 10.488 3.999 1.00 0.00 O ATOM 0 H SER A 8 1.903 10.181 3.328 1.00 0.00 H new ATOM 0 HA SER A 8 3.202 10.164 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.186 10.789 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.784 11.841 2.413 1.00 0.00 H new ATOM 0 HG SER A 8 3.638 9.537 4.063 1.00 0.00 H new ATOM 107 N LEU A 9 3.823 7.510 2.462 1.00 0.00 N ATOM 108 CA LEU A 9 4.529 6.219 2.402 1.00 0.00 C ATOM 109 C LEU A 9 3.940 5.303 1.326 1.00 0.00 C ATOM 110 O LEU A 9 4.676 4.611 0.655 1.00 0.00 O ATOM 111 CB LEU A 9 4.408 5.626 3.791 1.00 0.00 C ATOM 112 CG LEU A 9 5.257 6.411 4.833 1.00 0.00 C ATOM 113 CD1 LEU A 9 4.827 5.984 6.214 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.723 6.069 4.699 1.00 0.00 C ATOM 0 H LEU A 9 3.081 7.559 3.160 1.00 0.00 H new ATOM 0 HA LEU A 9 5.574 6.344 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.362 5.630 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.730 4.585 3.771 1.00 0.00 H new ATOM 0 HG LEU A 9 5.110 7.478 4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.411 6.523 6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.769 6.207 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.990 4.913 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.296 6.630 5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.864 5.001 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.067 6.330 3.698 1.00 0.00 H new ATOM 126 N VAL A 10 2.647 5.304 1.174 1.00 0.00 N ATOM 127 CA VAL A 10 1.998 4.430 0.142 1.00 0.00 C ATOM 128 C VAL A 10 1.716 5.180 -1.164 1.00 0.00 C ATOM 129 O VAL A 10 1.569 4.596 -2.222 1.00 0.00 O ATOM 130 CB VAL A 10 0.718 3.897 0.793 1.00 0.00 C ATOM 131 CG1 VAL A 10 1.118 3.258 2.106 1.00 0.00 C ATOM 132 CG2 VAL A 10 -0.325 4.972 1.004 1.00 0.00 C ATOM 0 H VAL A 10 2.002 5.874 1.721 1.00 0.00 H new ATOM 0 HA VAL A 10 2.659 3.615 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 10 0.250 3.170 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.232 2.864 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.819 2.445 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.591 4.004 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.209 4.535 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.079 5.749 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.598 5.408 0.043 1.00 0.00 H new ATOM 142 N ARG A 11 1.646 6.473 -1.089 1.00 0.00 N ATOM 143 CA ARG A 11 1.378 7.285 -2.301 1.00 0.00 C ATOM 144 C ARG A 11 2.489 7.177 -3.370 1.00 0.00 C ATOM 145 O ARG A 11 2.163 7.125 -4.539 1.00 0.00 O ATOM 146 CB ARG A 11 1.165 8.734 -1.824 1.00 0.00 C ATOM 147 CG ARG A 11 -0.187 8.785 -0.996 1.00 0.00 C ATOM 148 CD ARG A 11 -1.423 8.846 -1.886 1.00 0.00 C ATOM 149 NE ARG A 11 -1.682 10.282 -2.211 1.00 0.00 N ATOM 150 CZ ARG A 11 -1.056 10.863 -3.178 1.00 0.00 C ATOM 151 NH1 ARG A 11 0.111 11.334 -2.880 1.00 0.00 N ATOM 152 NH2 ARG A 11 -1.628 10.923 -4.336 1.00 0.00 N ATOM 0 H ARG A 11 1.764 7.009 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 11 0.490 6.908 -2.809 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.002 9.059 -1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.116 9.412 -2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.249 7.905 -0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.174 9.656 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.266 8.270 -2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.282 8.409 -1.377 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.361 10.809 -1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.475 11.232 -1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.667 11.807 -3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.554 10.516 -4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.153 11.377 -5.116 1.00 0.00 H new ATOM 166 N PRO A 12 3.753 7.150 -3.003 1.00 0.00 N ATOM 167 CA PRO A 12 4.842 6.987 -4.002 1.00 0.00 C ATOM 168 C PRO A 12 4.763 5.669 -4.781 1.00 0.00 C ATOM 169 O PRO A 12 5.258 5.604 -5.892 1.00 0.00 O ATOM 170 CB PRO A 12 6.140 7.108 -3.190 1.00 0.00 C ATOM 171 CG PRO A 12 5.708 6.614 -1.791 1.00 0.00 C ATOM 172 CD PRO A 12 4.328 7.270 -1.626 1.00 0.00 C ATOM 0 HA PRO A 12 4.773 7.744 -4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.938 6.495 -3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.507 8.134 -3.162 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.650 5.527 -1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.405 6.930 -1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.718 6.754 -0.884 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.407 8.309 -1.307 1.00 0.00 H new ATOM 180 N CYS A 13 4.169 4.632 -4.223 1.00 0.00 N ATOM 181 CA CYS A 13 4.097 3.374 -4.972 1.00 0.00 C ATOM 182 C CYS A 13 3.011 3.464 -6.043 1.00 0.00 C ATOM 183 O CYS A 13 3.062 2.775 -7.042 1.00 0.00 O ATOM 184 CB CYS A 13 3.825 2.314 -3.981 1.00 0.00 C ATOM 185 SG CYS A 13 5.221 1.813 -2.948 1.00 0.00 S ATOM 0 H CYS A 13 3.744 4.622 -3.296 1.00 0.00 H new ATOM 0 HA CYS A 13 5.025 3.156 -5.500 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.020 2.653 -3.329 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.458 1.435 -4.511 1.00 0.00 H new ATOM 190 N LEU A 14 2.030 4.303 -5.839 1.00 0.00 N ATOM 191 CA LEU A 14 0.939 4.448 -6.864 1.00 0.00 C ATOM 192 C LEU A 14 1.503 4.896 -8.224 1.00 0.00 C ATOM 193 O LEU A 14 0.930 4.614 -9.261 1.00 0.00 O ATOM 194 CB LEU A 14 -0.090 5.516 -6.486 1.00 0.00 C ATOM 195 CG LEU A 14 -1.264 4.936 -5.688 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.914 4.717 -4.237 1.00 0.00 C ATOM 197 CD2 LEU A 14 -2.407 5.910 -5.809 1.00 0.00 C ATOM 0 H LEU A 14 1.932 4.894 -5.013 1.00 0.00 H new ATOM 0 HA LEU A 14 0.476 3.463 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.397 6.294 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.468 5.990 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.530 3.958 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.776 4.305 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.079 4.020 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.633 5.667 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.266 5.534 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.107 6.876 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.677 6.026 -6.859 1.00 0.00 H new ATOM 209 N SER A 15 2.599 5.609 -8.187 1.00 0.00 N ATOM 210 CA SER A 15 3.244 6.100 -9.449 1.00 0.00 C ATOM 211 C SER A 15 3.421 4.965 -10.464 1.00 0.00 C ATOM 212 O SER A 15 3.446 5.170 -11.660 1.00 0.00 O ATOM 213 CB SER A 15 4.591 6.684 -9.087 1.00 0.00 C ATOM 214 OG SER A 15 4.241 7.631 -8.087 1.00 0.00 O ATOM 0 H SER A 15 3.082 5.876 -7.329 1.00 0.00 H new ATOM 0 HA SER A 15 2.607 6.854 -9.912 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.277 5.926 -8.709 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.076 7.154 -9.943 1.00 0.00 H new ATOM 0 HG SER A 15 4.496 7.286 -7.206 1.00 0.00 H new ATOM 220 N TYR A 16 3.540 3.767 -9.956 1.00 0.00 N ATOM 221 CA TYR A 16 3.717 2.582 -10.851 1.00 0.00 C ATOM 222 C TYR A 16 2.345 1.947 -11.097 1.00 0.00 C ATOM 223 O TYR A 16 2.007 1.543 -12.192 1.00 0.00 O ATOM 224 CB TYR A 16 4.636 1.590 -10.159 1.00 0.00 C ATOM 225 CG TYR A 16 4.748 0.292 -10.977 1.00 0.00 C ATOM 226 CD1 TYR A 16 4.681 0.284 -12.361 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.887 -0.906 -10.315 1.00 0.00 C ATOM 228 CE1 TYR A 16 4.747 -0.896 -13.055 1.00 0.00 C ATOM 229 CE2 TYR A 16 4.952 -2.088 -11.020 1.00 0.00 C ATOM 230 CZ TYR A 16 4.880 -2.091 -12.394 1.00 0.00 C ATOM 231 OH TYR A 16 4.906 -3.259 -13.123 1.00 0.00 O ATOM 0 H TYR A 16 3.522 3.556 -8.958 1.00 0.00 H new ATOM 0 HA TYR A 16 4.154 2.876 -11.805 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.624 2.031 -10.030 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.254 1.366 -9.163 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.576 1.215 -12.897 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.945 -0.920 -9.237 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.694 -0.885 -14.134 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.061 -3.022 -10.489 1.00 0.00 H new ATOM 0 HH TYR A 16 4.071 -3.347 -13.629 1.00 0.00 H new ATOM 241 N VAL A 17 1.597 1.872 -10.040 1.00 0.00 N ATOM 242 CA VAL A 17 0.217 1.281 -10.126 1.00 0.00 C ATOM 243 C VAL A 17 -0.629 1.974 -11.199 1.00 0.00 C ATOM 244 O VAL A 17 -1.476 1.363 -11.817 1.00 0.00 O ATOM 245 CB VAL A 17 -0.521 1.414 -8.780 1.00 0.00 C ATOM 246 CG1 VAL A 17 -1.816 0.636 -8.857 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.368 0.832 -7.710 1.00 0.00 C ATOM 0 H VAL A 17 1.872 2.192 -9.112 1.00 0.00 H new ATOM 0 HA VAL A 17 0.345 0.230 -10.386 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.745 2.456 -8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.349 0.722 -7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.435 1.038 -9.659 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.599 -0.413 -9.057 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.128 0.911 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.565 -0.217 -7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.310 1.380 -7.681 1.00 0.00 H new ATOM 257 N GLN A 18 -0.427 3.244 -11.409 1.00 0.00 N ATOM 258 CA GLN A 18 -1.209 3.953 -12.430 1.00 0.00 C ATOM 259 C GLN A 18 -0.869 3.494 -13.852 1.00 0.00 C ATOM 260 O GLN A 18 -1.649 3.689 -14.762 1.00 0.00 O ATOM 261 CB GLN A 18 -0.934 5.414 -12.231 1.00 0.00 C ATOM 262 CG GLN A 18 0.564 5.809 -12.288 1.00 0.00 C ATOM 263 CD GLN A 18 0.668 7.338 -12.228 1.00 0.00 C ATOM 264 OE1 GLN A 18 -0.402 8.051 -12.408 1.00 0.00 O flip ATOM 265 NE2 GLN A 18 1.719 7.904 -12.016 1.00 0.00 N flip ATOM 0 H GLN A 18 0.253 3.816 -10.908 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.271 3.736 -12.317 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.473 5.977 -12.993 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.338 5.717 -11.265 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.106 5.360 -11.456 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.020 5.434 -13.204 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.571 7.361 -11.872 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.752 8.923 -11.982 1.00 0.00 H new ATOM 274 N GLY A 19 0.281 2.894 -14.023 1.00 0.00 N ATOM 275 CA GLY A 19 0.695 2.413 -15.383 1.00 0.00 C ATOM 276 C GLY A 19 1.689 3.380 -16.021 1.00 0.00 C ATOM 277 O GLY A 19 1.625 3.661 -17.201 1.00 0.00 O ATOM 0 H GLY A 19 0.956 2.714 -13.279 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.144 1.423 -15.302 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.183 2.313 -16.021 1.00 0.00 H new ATOM 281 N GLY A 20 2.595 3.877 -15.229 1.00 0.00 N ATOM 282 CA GLY A 20 3.623 4.838 -15.750 1.00 0.00 C ATOM 283 C GLY A 20 5.000 4.494 -15.180 1.00 0.00 C ATOM 284 O GLY A 20 5.180 3.428 -14.620 1.00 0.00 O ATOM 0 H GLY A 20 2.674 3.661 -14.235 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.651 4.798 -16.839 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.351 5.857 -15.476 1.00 0.00 H new ATOM 288 N PRO A 21 5.946 5.391 -15.327 1.00 0.00 N ATOM 289 CA PRO A 21 7.315 5.185 -14.776 1.00 0.00 C ATOM 290 C PRO A 21 7.274 5.246 -13.239 1.00 0.00 C ATOM 291 O PRO A 21 6.750 6.186 -12.673 1.00 0.00 O ATOM 292 CB PRO A 21 8.132 6.302 -15.423 1.00 0.00 C ATOM 293 CG PRO A 21 7.084 7.445 -15.532 1.00 0.00 C ATOM 294 CD PRO A 21 5.824 6.703 -16.030 1.00 0.00 C ATOM 0 HA PRO A 21 7.754 4.212 -14.996 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.987 6.589 -14.811 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.521 6.011 -16.399 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.914 7.932 -14.572 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.401 8.220 -16.231 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.907 7.228 -15.761 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.819 6.587 -17.114 1.00 0.00 H new ATOM 302 N GLY A 22 7.829 4.256 -12.586 1.00 0.00 N ATOM 303 CA GLY A 22 7.821 4.252 -11.100 1.00 0.00 C ATOM 304 C GLY A 22 8.204 2.854 -10.595 1.00 0.00 C ATOM 305 O GLY A 22 8.762 2.073 -11.341 1.00 0.00 O ATOM 0 H GLY A 22 8.285 3.454 -13.021 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.523 4.994 -10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.834 4.527 -10.729 1.00 0.00 H new ATOM 309 N PRO A 23 7.897 2.561 -9.351 1.00 0.00 N ATOM 310 CA PRO A 23 7.148 3.477 -8.454 1.00 0.00 C ATOM 311 C PRO A 23 7.999 4.694 -8.054 1.00 0.00 C ATOM 312 O PRO A 23 7.674 5.802 -8.431 1.00 0.00 O ATOM 313 CB PRO A 23 6.759 2.580 -7.290 1.00 0.00 C ATOM 314 CG PRO A 23 7.909 1.540 -7.209 1.00 0.00 C ATOM 315 CD PRO A 23 8.261 1.283 -8.685 1.00 0.00 C ATOM 0 HA PRO A 23 6.271 3.932 -8.915 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.669 3.147 -6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.797 2.097 -7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.763 1.928 -6.654 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.590 0.627 -6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.318 1.050 -8.812 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.699 0.443 -9.092 1.00 0.00 H new ATOM 323 N SER A 24 9.062 4.448 -7.331 1.00 0.00 N ATOM 324 CA SER A 24 9.972 5.545 -6.861 1.00 0.00 C ATOM 325 C SER A 24 11.093 4.950 -6.021 1.00 0.00 C ATOM 326 O SER A 24 11.054 3.783 -5.681 1.00 0.00 O ATOM 327 CB SER A 24 9.148 6.525 -6.005 1.00 0.00 C ATOM 328 OG SER A 24 8.569 5.631 -5.059 1.00 0.00 O ATOM 0 H SER A 24 9.346 3.513 -7.039 1.00 0.00 H new ATOM 0 HA SER A 24 10.407 6.066 -7.714 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.771 7.283 -5.530 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.395 7.052 -6.590 1.00 0.00 H new ATOM 0 HG SER A 24 7.641 5.443 -5.312 1.00 0.00 H new ATOM 334 N GLY A 25 12.065 5.761 -5.707 1.00 0.00 N ATOM 335 CA GLY A 25 13.193 5.261 -4.872 1.00 0.00 C ATOM 336 C GLY A 25 12.693 5.252 -3.411 1.00 0.00 C ATOM 337 O GLY A 25 13.411 4.841 -2.522 1.00 0.00 O ATOM 0 H GLY A 25 12.128 6.739 -5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.492 4.261 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.067 5.903 -4.978 1.00 0.00 H new ATOM 341 N GLN A 26 11.475 5.705 -3.203 1.00 0.00 N ATOM 342 CA GLN A 26 10.907 5.728 -1.805 1.00 0.00 C ATOM 343 C GLN A 26 9.839 4.644 -1.658 1.00 0.00 C ATOM 344 O GLN A 26 9.521 4.261 -0.554 1.00 0.00 O ATOM 345 CB GLN A 26 10.249 7.085 -1.479 1.00 0.00 C ATOM 346 CG GLN A 26 11.327 8.129 -1.139 1.00 0.00 C ATOM 347 CD GLN A 26 10.618 9.293 -0.446 1.00 0.00 C ATOM 348 OE1 GLN A 26 9.859 10.032 -1.036 1.00 0.00 O ATOM 349 NE2 GLN A 26 10.824 9.495 0.821 1.00 0.00 N ATOM 0 H GLN A 26 10.853 6.057 -3.930 1.00 0.00 H new ATOM 0 HA GLN A 26 11.737 5.556 -1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.658 7.425 -2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.563 6.973 -0.639 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.089 7.699 -0.489 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.834 8.469 -2.042 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.458 8.886 1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.351 10.262 1.299 1.00 0.00 H new ATOM 358 N CYS A 27 9.287 4.168 -2.745 1.00 0.00 N ATOM 359 CA CYS A 27 8.247 3.099 -2.644 1.00 0.00 C ATOM 360 C CYS A 27 8.763 1.938 -1.789 1.00 0.00 C ATOM 361 O CYS A 27 8.042 1.413 -0.969 1.00 0.00 O ATOM 362 CB CYS A 27 7.902 2.624 -4.054 1.00 0.00 C ATOM 363 SG CYS A 27 6.718 1.261 -4.191 1.00 0.00 S ATOM 0 H CYS A 27 9.510 4.471 -3.693 1.00 0.00 H new ATOM 0 HA CYS A 27 7.351 3.492 -2.164 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.508 3.474 -4.611 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.826 2.321 -4.546 1.00 0.00 H new ATOM 368 N CYS A 28 10.008 1.584 -1.967 1.00 0.00 N ATOM 369 CA CYS A 28 10.547 0.454 -1.157 1.00 0.00 C ATOM 370 C CYS A 28 10.949 0.880 0.241 1.00 0.00 C ATOM 371 O CYS A 28 10.382 0.411 1.197 1.00 0.00 O ATOM 372 CB CYS A 28 11.727 -0.139 -1.920 1.00 0.00 C ATOM 373 SG CYS A 28 11.149 -1.278 -3.189 1.00 0.00 S ATOM 0 H CYS A 28 10.661 2.016 -2.621 1.00 0.00 H new ATOM 0 HA CYS A 28 9.767 -0.294 -1.018 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.310 0.660 -2.378 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.389 -0.661 -1.229 1.00 0.00 H new ATOM 378 N ASP A 29 11.887 1.760 0.373 1.00 0.00 N ATOM 379 CA ASP A 29 12.311 2.205 1.730 1.00 0.00 C ATOM 380 C ASP A 29 11.130 2.815 2.501 1.00 0.00 C ATOM 381 O ASP A 29 11.039 2.677 3.701 1.00 0.00 O ATOM 382 CB ASP A 29 13.461 3.213 1.520 1.00 0.00 C ATOM 383 CG ASP A 29 14.648 2.706 2.343 1.00 0.00 C ATOM 384 OD1 ASP A 29 14.701 3.091 3.497 1.00 0.00 O ATOM 385 OD2 ASP A 29 15.412 1.958 1.757 1.00 0.00 O ATOM 0 H ASP A 29 12.386 2.197 -0.402 1.00 0.00 H new ATOM 0 HA ASP A 29 12.654 1.368 2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.725 3.285 0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.164 4.211 1.843 1.00 0.00 H new ATOM 390 N GLY A 30 10.246 3.465 1.808 1.00 0.00 N ATOM 391 CA GLY A 30 9.066 4.100 2.466 1.00 0.00 C ATOM 392 C GLY A 30 8.058 3.042 2.920 1.00 0.00 C ATOM 393 O GLY A 30 7.675 2.988 4.078 1.00 0.00 O ATOM 0 H GLY A 30 10.287 3.588 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.395 4.686 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.586 4.791 1.773 1.00 0.00 H new ATOM 397 N VAL A 31 7.661 2.187 2.019 1.00 0.00 N ATOM 398 CA VAL A 31 6.669 1.136 2.393 1.00 0.00 C ATOM 399 C VAL A 31 7.306 0.031 3.254 1.00 0.00 C ATOM 400 O VAL A 31 6.648 -0.478 4.141 1.00 0.00 O ATOM 401 CB VAL A 31 6.076 0.624 1.054 1.00 0.00 C ATOM 402 CG1 VAL A 31 4.936 -0.332 1.295 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.489 1.792 0.298 1.00 0.00 C ATOM 0 H VAL A 31 7.976 2.168 1.049 1.00 0.00 H new ATOM 0 HA VAL A 31 5.874 1.529 3.026 1.00 0.00 H new ATOM 0 HB VAL A 31 6.878 0.131 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.540 -0.674 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.294 -1.188 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.149 0.174 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.070 1.441 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.703 2.254 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.270 2.525 0.097 1.00 0.00 H new ATOM 413 N LYS A 32 8.542 -0.311 3.001 1.00 0.00 N ATOM 414 CA LYS A 32 9.227 -1.370 3.792 1.00 0.00 C ATOM 415 C LYS A 32 9.233 -0.918 5.251 1.00 0.00 C ATOM 416 O LYS A 32 8.981 -1.711 6.140 1.00 0.00 O ATOM 417 CB LYS A 32 10.671 -1.554 3.274 1.00 0.00 C ATOM 418 CG LYS A 32 11.224 -2.854 3.883 1.00 0.00 C ATOM 419 CD LYS A 32 12.461 -3.323 3.084 1.00 0.00 C ATOM 420 CE LYS A 32 12.679 -4.839 3.359 1.00 0.00 C ATOM 421 NZ LYS A 32 13.132 -5.543 2.115 1.00 0.00 N ATOM 0 H LYS A 32 9.113 0.107 2.267 1.00 0.00 H new ATOM 0 HA LYS A 32 8.712 -2.326 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.683 -1.606 2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.291 -0.704 3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.494 -2.691 4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.456 -3.628 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.312 -3.149 2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.342 -2.754 3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.421 -4.968 4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.752 -5.286 3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.421 -6.249 1.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.251 -4.851 1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.039 -6.018 2.296 1.00 0.00 H new ATOM 435 N ASN A 33 9.488 0.348 5.456 1.00 0.00 N ATOM 436 CA ASN A 33 9.513 0.878 6.856 1.00 0.00 C ATOM 437 C ASN A 33 8.123 0.822 7.456 1.00 0.00 C ATOM 438 O ASN A 33 7.940 0.231 8.492 1.00 0.00 O ATOM 439 CB ASN A 33 10.034 2.320 6.822 1.00 0.00 C ATOM 440 CG ASN A 33 11.547 2.234 7.041 1.00 0.00 C ATOM 441 OD1 ASN A 33 12.009 1.924 8.118 1.00 0.00 O ATOM 442 ND2 ASN A 33 12.359 2.484 6.066 1.00 0.00 N ATOM 0 H ASN A 33 9.678 1.033 4.725 1.00 0.00 H new ATOM 0 HA ASN A 33 10.171 0.270 7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.805 2.794 5.867 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.562 2.923 7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.366 2.418 6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.992 2.747 5.151 1.00 0.00 H new ATOM 449 N LEU A 34 7.161 1.413 6.807 1.00 0.00 N ATOM 450 CA LEU A 34 5.750 1.403 7.316 1.00 0.00 C ATOM 451 C LEU A 34 5.311 -0.033 7.638 1.00 0.00 C ATOM 452 O LEU A 34 4.861 -0.336 8.728 1.00 0.00 O ATOM 453 CB LEU A 34 4.832 1.981 6.228 1.00 0.00 C ATOM 454 CG LEU A 34 3.323 1.844 6.637 1.00 0.00 C ATOM 455 CD1 LEU A 34 2.720 3.206 6.866 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.558 1.143 5.541 1.00 0.00 C ATOM 0 H LEU A 34 7.289 1.914 5.928 1.00 0.00 H new ATOM 0 HA LEU A 34 5.688 2.002 8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.074 3.031 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.006 1.461 5.286 1.00 0.00 H new ATOM 0 HG LEU A 34 3.263 1.263 7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.673 3.097 7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.261 3.714 7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.789 3.793 5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.511 1.050 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.630 1.721 4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.979 0.151 5.381 1.00 0.00 H new ATOM 468 N HIS A 35 5.464 -0.897 6.664 1.00 0.00 N ATOM 469 CA HIS A 35 5.060 -2.323 6.874 1.00 0.00 C ATOM 470 C HIS A 35 5.731 -2.901 8.114 1.00 0.00 C ATOM 471 O HIS A 35 5.066 -3.443 8.975 1.00 0.00 O ATOM 472 CB HIS A 35 5.454 -3.203 5.681 1.00 0.00 C ATOM 473 CG HIS A 35 5.008 -4.672 5.947 1.00 0.00 C ATOM 474 ND1 HIS A 35 4.454 -5.122 7.035 1.00 0.00 N ATOM 475 CD2 HIS A 35 5.085 -5.797 5.140 1.00 0.00 C ATOM 476 CE1 HIS A 35 4.210 -6.388 6.928 1.00 0.00 C ATOM 477 NE2 HIS A 35 4.587 -6.849 5.762 1.00 0.00 N ATOM 0 H HIS A 35 5.846 -0.681 5.743 1.00 0.00 H new ATOM 0 HA HIS A 35 3.976 -2.323 6.991 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.986 -2.829 4.770 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.532 -3.162 5.526 1.00 0.00 H new ATOM 0 HD1 HIS A 35 4.242 -4.556 7.857 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.496 -5.810 4.141 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.754 -6.988 7.702 1.00 0.00 H new ATOM 485 N ASN A 36 7.026 -2.778 8.161 1.00 0.00 N ATOM 486 CA ASN A 36 7.786 -3.310 9.335 1.00 0.00 C ATOM 487 C ASN A 36 7.331 -2.613 10.620 1.00 0.00 C ATOM 488 O ASN A 36 7.228 -3.252 11.644 1.00 0.00 O ATOM 489 CB ASN A 36 9.281 -3.054 9.147 1.00 0.00 C ATOM 490 CG ASN A 36 10.100 -4.015 10.020 1.00 0.00 C ATOM 491 OD1 ASN A 36 11.259 -4.237 9.742 1.00 0.00 O ATOM 492 ND2 ASN A 36 9.584 -4.602 11.067 1.00 0.00 N ATOM 0 H ASN A 36 7.595 -2.333 7.441 1.00 0.00 H new ATOM 0 HA ASN A 36 7.597 -4.381 9.410 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.550 -3.185 8.099 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.516 -2.023 9.410 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.154 -5.232 11.631 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.611 -4.430 11.320 1.00 0.00 H new ATOM 499 N GLN A 37 7.087 -1.334 10.539 1.00 0.00 N ATOM 500 CA GLN A 37 6.635 -0.559 11.738 1.00 0.00 C ATOM 501 C GLN A 37 5.296 -1.099 12.238 1.00 0.00 C ATOM 502 O GLN A 37 5.065 -1.218 13.427 1.00 0.00 O ATOM 503 CB GLN A 37 6.488 0.947 11.364 1.00 0.00 C ATOM 504 CG GLN A 37 7.787 1.728 11.706 1.00 0.00 C ATOM 505 CD GLN A 37 7.880 1.963 13.229 1.00 0.00 C ATOM 506 OE1 GLN A 37 7.769 1.053 14.024 1.00 0.00 O ATOM 507 NE2 GLN A 37 8.079 3.159 13.703 1.00 0.00 N ATOM 0 H GLN A 37 7.181 -0.784 9.686 1.00 0.00 H new ATOM 0 HA GLN A 37 7.377 -0.665 12.529 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.270 1.043 10.300 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.645 1.380 11.903 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.658 1.169 11.363 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.795 2.684 11.182 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.177 3.950 13.067 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.137 3.305 14.711 1.00 0.00 H new ATOM 516 N ALA A 38 4.434 -1.429 11.314 1.00 0.00 N ATOM 517 CA ALA A 38 3.083 -1.971 11.684 1.00 0.00 C ATOM 518 C ALA A 38 3.151 -3.407 12.218 1.00 0.00 C ATOM 519 O ALA A 38 3.366 -4.346 11.477 1.00 0.00 O ATOM 520 CB ALA A 38 2.214 -1.934 10.450 1.00 0.00 C ATOM 0 H ALA A 38 4.604 -1.348 10.311 1.00 0.00 H new ATOM 0 HA ALA A 38 2.671 -1.355 12.484 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.224 -2.323 10.690 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.124 -0.906 10.099 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.665 -2.546 9.669 1.00 0.00 H new ATOM 526 N ARG A 39 2.953 -3.570 13.500 1.00 0.00 N ATOM 527 CA ARG A 39 3.006 -4.945 14.099 1.00 0.00 C ATOM 528 C ARG A 39 1.761 -5.268 14.938 1.00 0.00 C ATOM 529 O ARG A 39 1.719 -6.302 15.572 1.00 0.00 O ATOM 530 CB ARG A 39 4.296 -4.925 14.903 1.00 0.00 C ATOM 531 CG ARG A 39 5.113 -6.224 14.794 1.00 0.00 C ATOM 532 CD ARG A 39 4.610 -7.264 15.807 1.00 0.00 C ATOM 533 NE ARG A 39 5.663 -8.323 15.923 1.00 0.00 N ATOM 534 CZ ARG A 39 6.389 -8.355 16.998 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.379 -7.516 17.060 1.00 0.00 N ATOM 536 NH2 ARG A 39 6.079 -9.206 17.926 1.00 0.00 N ATOM 0 H ARG A 39 2.757 -2.817 14.159 1.00 0.00 H new ATOM 0 HA ARG A 39 3.003 -5.739 13.352 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.911 -4.090 14.566 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.058 -4.743 15.951 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.036 -6.625 13.783 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.167 -6.013 14.974 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.426 -6.799 16.775 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.666 -7.696 15.476 1.00 0.00 H new ATOM 0 HE ARG A 39 5.806 -9.002 15.175 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.553 -6.875 16.286 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.982 -7.498 17.883 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.281 -9.829 17.801 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.633 -9.252 18.781 1.00 0.00 H new ATOM 550 N SER A 40 0.804 -4.385 14.924 1.00 0.00 N ATOM 551 CA SER A 40 -0.479 -4.538 15.698 1.00 0.00 C ATOM 552 C SER A 40 -1.694 -4.538 14.760 1.00 0.00 C ATOM 553 O SER A 40 -1.563 -4.639 13.553 1.00 0.00 O ATOM 554 CB SER A 40 -0.575 -3.339 16.636 1.00 0.00 C ATOM 555 OG SER A 40 -0.695 -2.238 15.710 1.00 0.00 O ATOM 0 H SER A 40 0.854 -3.521 14.385 1.00 0.00 H new ATOM 0 HA SER A 40 -0.476 -5.483 16.241 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.437 -3.409 17.300 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.308 -3.245 17.269 1.00 0.00 H new ATOM 0 HG SER A 40 -0.767 -1.397 16.209 1.00 0.00 H new ATOM 561 N GLN A 41 -2.868 -4.426 15.332 1.00 0.00 N ATOM 562 CA GLN A 41 -4.091 -4.393 14.500 1.00 0.00 C ATOM 563 C GLN A 41 -4.514 -2.910 14.357 1.00 0.00 C ATOM 564 O GLN A 41 -5.633 -2.657 13.957 1.00 0.00 O ATOM 565 CB GLN A 41 -5.181 -5.236 15.207 1.00 0.00 C ATOM 566 CG GLN A 41 -5.283 -6.662 14.575 1.00 0.00 C ATOM 567 CD GLN A 41 -6.245 -7.523 15.403 1.00 0.00 C ATOM 568 OE1 GLN A 41 -6.088 -7.600 16.600 1.00 0.00 O ATOM 569 NE2 GLN A 41 -7.221 -8.171 14.824 1.00 0.00 N ATOM 0 H GLN A 41 -3.023 -4.357 16.338 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.930 -4.812 13.507 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.949 -5.320 16.269 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.144 -4.730 15.130 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.636 -6.591 13.546 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.298 -7.128 14.542 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.350 -8.103 13.814 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.854 -8.744 15.382 1.00 0.00 H new ATOM 578 N SER A 42 -3.627 -1.994 14.672 1.00 0.00 N ATOM 579 CA SER A 42 -3.938 -0.531 14.561 1.00 0.00 C ATOM 580 C SER A 42 -3.116 0.049 13.418 1.00 0.00 C ATOM 581 O SER A 42 -3.632 0.806 12.625 1.00 0.00 O ATOM 582 CB SER A 42 -3.554 0.206 15.848 1.00 0.00 C ATOM 583 OG SER A 42 -4.397 -0.350 16.846 1.00 0.00 O ATOM 0 H SER A 42 -2.686 -2.202 15.007 1.00 0.00 H new ATOM 0 HA SER A 42 -5.007 -0.409 14.386 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.502 0.058 16.091 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.710 1.280 15.751 1.00 0.00 H new ATOM 0 HG SER A 42 -4.207 0.075 17.708 1.00 0.00 H new ATOM 589 N ASP A 43 -1.875 -0.340 13.342 1.00 0.00 N ATOM 590 CA ASP A 43 -0.985 0.182 12.264 1.00 0.00 C ATOM 591 C ASP A 43 -1.353 -0.393 10.892 1.00 0.00 C ATOM 592 O ASP A 43 -1.447 0.315 9.905 1.00 0.00 O ATOM 593 CB ASP A 43 0.425 -0.180 12.681 1.00 0.00 C ATOM 594 CG ASP A 43 1.435 0.819 12.094 1.00 0.00 C ATOM 595 OD1 ASP A 43 1.216 1.366 11.025 1.00 0.00 O ATOM 596 OD2 ASP A 43 2.415 0.974 12.795 1.00 0.00 O ATOM 0 H ASP A 43 -1.435 -1.000 13.983 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.091 1.261 12.149 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.499 -0.184 13.768 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.663 -1.188 12.342 1.00 0.00 H new ATOM 601 N ARG A 44 -1.615 -1.665 10.871 1.00 0.00 N ATOM 602 CA ARG A 44 -1.972 -2.332 9.586 1.00 0.00 C ATOM 603 C ARG A 44 -3.356 -1.866 9.137 1.00 0.00 C ATOM 604 O ARG A 44 -3.529 -1.433 8.018 1.00 0.00 O ATOM 605 CB ARG A 44 -1.952 -3.828 9.826 1.00 0.00 C ATOM 606 CG ARG A 44 -2.251 -4.615 8.517 1.00 0.00 C ATOM 607 CD ARG A 44 -2.926 -5.910 8.939 1.00 0.00 C ATOM 608 NE ARG A 44 -4.229 -5.495 9.565 1.00 0.00 N ATOM 609 CZ ARG A 44 -4.530 -5.762 10.808 1.00 0.00 C ATOM 610 NH1 ARG A 44 -4.074 -6.856 11.321 1.00 0.00 N ATOM 611 NH2 ARG A 44 -5.275 -4.910 11.457 1.00 0.00 N ATOM 0 H ARG A 44 -1.598 -2.276 11.687 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.263 -2.077 8.798 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.978 -4.123 10.216 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.690 -4.087 10.585 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.897 -4.038 7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.332 -4.817 7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.092 -6.564 8.083 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.308 -6.463 9.647 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.905 -4.985 8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.497 -7.482 10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.290 -7.094 12.289 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.605 -4.064 10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.527 -5.090 12.429 1.00 0.00 H new ATOM 625 N GLN A 45 -4.308 -1.941 10.031 1.00 0.00 N ATOM 626 CA GLN A 45 -5.691 -1.516 9.674 1.00 0.00 C ATOM 627 C GLN A 45 -5.692 -0.036 9.270 1.00 0.00 C ATOM 628 O GLN A 45 -6.417 0.366 8.387 1.00 0.00 O ATOM 629 CB GLN A 45 -6.583 -1.828 10.908 1.00 0.00 C ATOM 630 CG GLN A 45 -7.697 -2.822 10.454 1.00 0.00 C ATOM 631 CD GLN A 45 -8.173 -3.717 11.597 1.00 0.00 C ATOM 632 OE1 GLN A 45 -8.012 -5.011 11.503 1.00 0.00 O flip ATOM 633 NE2 GLN A 45 -8.699 -3.273 12.590 1.00 0.00 N flip ATOM 0 H GLN A 45 -4.187 -2.276 10.987 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.087 -2.052 8.812 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.987 -2.263 11.710 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.025 -0.912 11.301 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.543 -2.260 10.058 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.319 -3.443 9.642 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.836 -2.267 12.688 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.006 -3.904 13.330 1.00 0.00 H new ATOM 642 N SER A 46 -4.870 0.770 9.898 1.00 0.00 N ATOM 643 CA SER A 46 -4.862 2.223 9.505 1.00 0.00 C ATOM 644 C SER A 46 -4.244 2.371 8.111 1.00 0.00 C ATOM 645 O SER A 46 -4.842 2.930 7.211 1.00 0.00 O ATOM 646 CB SER A 46 -4.033 3.039 10.480 1.00 0.00 C ATOM 647 OG SER A 46 -4.801 3.029 11.670 1.00 0.00 O ATOM 0 H SER A 46 -4.224 0.503 10.641 1.00 0.00 H new ATOM 0 HA SER A 46 -5.891 2.584 9.512 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.049 2.597 10.636 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.872 4.054 10.116 1.00 0.00 H new ATOM 0 HG SER A 46 -4.542 2.260 12.220 1.00 0.00 H new ATOM 653 N ALA A 47 -3.053 1.851 7.947 1.00 0.00 N ATOM 654 CA ALA A 47 -2.409 1.969 6.610 1.00 0.00 C ATOM 655 C ALA A 47 -3.300 1.336 5.537 1.00 0.00 C ATOM 656 O ALA A 47 -3.386 1.836 4.432 1.00 0.00 O ATOM 657 CB ALA A 47 -1.065 1.288 6.673 1.00 0.00 C ATOM 0 H ALA A 47 -2.513 1.363 8.662 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.272 3.017 6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.574 1.362 5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.447 1.771 7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.201 0.238 6.932 1.00 0.00 H new ATOM 663 N CYS A 48 -3.956 0.256 5.869 1.00 0.00 N ATOM 664 CA CYS A 48 -4.851 -0.432 4.912 1.00 0.00 C ATOM 665 C CYS A 48 -5.936 0.527 4.399 1.00 0.00 C ATOM 666 O CYS A 48 -6.258 0.546 3.219 1.00 0.00 O ATOM 667 CB CYS A 48 -5.361 -1.621 5.693 1.00 0.00 C ATOM 668 SG CYS A 48 -4.225 -3.020 5.776 1.00 0.00 S ATOM 0 H CYS A 48 -3.903 -0.183 6.788 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.366 -0.766 3.995 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.592 -1.298 6.708 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.296 -1.957 5.245 1.00 0.00 H new ATOM 673 N ASN A 49 -6.464 1.317 5.301 1.00 0.00 N ATOM 674 CA ASN A 49 -7.524 2.304 4.912 1.00 0.00 C ATOM 675 C ASN A 49 -6.971 3.277 3.884 1.00 0.00 C ATOM 676 O ASN A 49 -7.626 3.570 2.910 1.00 0.00 O ATOM 677 CB ASN A 49 -7.967 3.120 6.115 1.00 0.00 C ATOM 678 CG ASN A 49 -9.052 2.419 6.817 1.00 0.00 C ATOM 679 OD1 ASN A 49 -10.213 2.552 6.501 1.00 0.00 O ATOM 680 ND2 ASN A 49 -8.745 1.648 7.780 1.00 0.00 N ATOM 0 H ASN A 49 -6.209 1.323 6.289 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.366 1.743 4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.126 3.277 6.790 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.306 4.105 5.794 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.476 1.144 8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.768 1.533 8.050 1.00 0.00 H new ATOM 687 N CYS A 50 -5.781 3.746 4.122 1.00 0.00 N ATOM 688 CA CYS A 50 -5.140 4.714 3.180 1.00 0.00 C ATOM 689 C CYS A 50 -5.189 4.186 1.741 1.00 0.00 C ATOM 690 O CYS A 50 -5.701 4.824 0.839 1.00 0.00 O ATOM 691 CB CYS A 50 -3.713 4.923 3.698 1.00 0.00 C ATOM 692 SG CYS A 50 -3.685 5.499 5.410 1.00 0.00 S ATOM 0 H CYS A 50 -5.216 3.501 4.935 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.665 5.669 3.147 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.160 3.987 3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.201 5.647 3.065 1.00 0.00 H new ATOM 697 N LEU A 51 -4.694 2.993 1.557 1.00 0.00 N ATOM 698 CA LEU A 51 -4.693 2.401 0.177 1.00 0.00 C ATOM 699 C LEU A 51 -6.110 2.157 -0.330 1.00 0.00 C ATOM 700 O LEU A 51 -6.442 2.552 -1.429 1.00 0.00 O ATOM 701 CB LEU A 51 -3.926 1.050 0.152 1.00 0.00 C ATOM 702 CG LEU A 51 -2.396 1.244 0.389 1.00 0.00 C ATOM 703 CD1 LEU A 51 -2.137 1.657 1.815 1.00 0.00 C ATOM 704 CD2 LEU A 51 -1.615 -0.005 0.060 1.00 0.00 C ATOM 0 H LEU A 51 -4.294 2.404 2.288 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.197 3.123 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.331 0.389 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.085 0.560 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.057 2.033 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.066 1.789 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.651 2.596 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.507 0.885 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.554 0.172 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.957 -0.825 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.768 -0.265 -0.987 1.00 0.00 H new ATOM 716 N LYS A 52 -6.924 1.528 0.466 1.00 0.00 N ATOM 717 CA LYS A 52 -8.329 1.229 0.078 1.00 0.00 C ATOM 718 C LYS A 52 -9.083 2.531 -0.289 1.00 0.00 C ATOM 719 O LYS A 52 -9.718 2.602 -1.323 1.00 0.00 O ATOM 720 CB LYS A 52 -8.839 0.451 1.319 1.00 0.00 C ATOM 721 CG LYS A 52 -10.025 -0.461 1.036 1.00 0.00 C ATOM 722 CD LYS A 52 -11.275 0.371 0.821 1.00 0.00 C ATOM 723 CE LYS A 52 -12.463 -0.590 0.826 1.00 0.00 C ATOM 724 NZ LYS A 52 -13.713 0.206 0.922 1.00 0.00 N ATOM 0 H LYS A 52 -6.667 1.199 1.397 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.470 0.637 -0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.021 -0.148 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.120 1.166 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.825 -1.068 0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.174 -1.148 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.381 1.117 1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.220 0.910 -0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.467 -1.193 -0.082 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.388 -1.280 1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.533 -0.434 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.703 0.763 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.779 0.848 0.106 1.00 0.00 H new ATOM 738 N GLY A 53 -8.999 3.521 0.557 1.00 0.00 N ATOM 739 CA GLY A 53 -9.681 4.831 0.317 1.00 0.00 C ATOM 740 C GLY A 53 -9.142 5.410 -0.991 1.00 0.00 C ATOM 741 O GLY A 53 -9.903 5.913 -1.796 1.00 0.00 O ATOM 0 H GLY A 53 -8.472 3.477 1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.761 4.693 0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.493 5.516 1.144 1.00 0.00 H new ATOM 745 N ILE A 54 -7.851 5.306 -1.174 1.00 0.00 N ATOM 746 CA ILE A 54 -7.200 5.828 -2.413 1.00 0.00 C ATOM 747 C ILE A 54 -7.646 5.042 -3.649 1.00 0.00 C ATOM 748 O ILE A 54 -8.319 5.583 -4.497 1.00 0.00 O ATOM 749 CB ILE A 54 -5.654 5.732 -2.177 1.00 0.00 C ATOM 750 CG1 ILE A 54 -5.217 6.826 -1.149 1.00 0.00 C ATOM 751 CG2 ILE A 54 -4.885 5.862 -3.469 1.00 0.00 C ATOM 752 CD1 ILE A 54 -3.766 6.568 -0.634 1.00 0.00 C ATOM 0 H ILE A 54 -7.211 4.875 -0.507 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.490 6.861 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.424 4.747 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.271 7.810 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.909 6.835 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.817 5.791 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.179 5.063 -4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.103 6.827 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.490 7.345 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.721 5.594 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.073 6.585 -1.475 1.00 0.00 H new ATOM 764 N ALA A 55 -7.277 3.791 -3.714 1.00 0.00 N ATOM 765 CA ALA A 55 -7.645 2.923 -4.876 1.00 0.00 C ATOM 766 C ALA A 55 -9.135 3.090 -5.242 1.00 0.00 C ATOM 767 O ALA A 55 -9.531 3.082 -6.392 1.00 0.00 O ATOM 768 CB ALA A 55 -7.364 1.491 -4.494 1.00 0.00 C ATOM 0 H ALA A 55 -6.724 3.322 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.058 3.210 -5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.624 0.835 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.305 1.378 -4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.959 1.224 -3.621 1.00 0.00 H new ATOM 774 N ARG A 56 -9.947 3.259 -4.233 1.00 0.00 N ATOM 775 CA ARG A 56 -11.409 3.427 -4.473 1.00 0.00 C ATOM 776 C ARG A 56 -11.727 4.676 -5.303 1.00 0.00 C ATOM 777 O ARG A 56 -12.709 4.698 -6.019 1.00 0.00 O ATOM 778 CB ARG A 56 -12.116 3.502 -3.101 1.00 0.00 C ATOM 779 CG ARG A 56 -13.639 3.378 -3.324 1.00 0.00 C ATOM 780 CD ARG A 56 -14.374 3.520 -1.991 1.00 0.00 C ATOM 781 NE ARG A 56 -15.821 3.255 -2.264 1.00 0.00 N ATOM 782 CZ ARG A 56 -16.693 4.189 -2.042 1.00 0.00 C ATOM 783 NH1 ARG A 56 -17.230 4.260 -0.864 1.00 0.00 N ATOM 784 NH2 ARG A 56 -16.971 4.996 -3.019 1.00 0.00 N ATOM 0 H ARG A 56 -9.661 3.288 -3.254 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.767 2.574 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.763 2.703 -2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.882 4.444 -2.606 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.977 4.146 -4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.872 2.414 -3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.984 2.815 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.235 4.519 -1.578 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.119 2.347 -2.622 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.964 3.592 -0.141 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.919 4.984 -0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.509 4.883 -3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.652 5.744 -2.885 1.00 0.00 H new ATOM 798 N GLY A 57 -10.908 5.686 -5.202 1.00 0.00 N ATOM 799 CA GLY A 57 -11.164 6.933 -5.982 1.00 0.00 C ATOM 800 C GLY A 57 -10.339 6.959 -7.272 1.00 0.00 C ATOM 801 O GLY A 57 -10.014 8.027 -7.753 1.00 0.00 O ATOM 0 H GLY A 57 -10.074 5.704 -4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.225 7.002 -6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.919 7.803 -5.373 1.00 0.00 H new ATOM 805 N ILE A 58 -10.015 5.802 -7.801 1.00 0.00 N ATOM 806 CA ILE A 58 -9.220 5.749 -9.066 1.00 0.00 C ATOM 807 C ILE A 58 -10.061 4.999 -10.111 1.00 0.00 C ATOM 808 O ILE A 58 -10.740 4.043 -9.794 1.00 0.00 O ATOM 809 CB ILE A 58 -7.867 5.014 -8.776 1.00 0.00 C ATOM 810 CG1 ILE A 58 -7.144 5.819 -7.640 1.00 0.00 C ATOM 811 CG2 ILE A 58 -7.005 4.944 -10.016 1.00 0.00 C ATOM 812 CD1 ILE A 58 -5.709 5.311 -7.354 1.00 0.00 C ATOM 0 H ILE A 58 -10.267 4.894 -7.410 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.987 6.744 -9.445 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.051 3.985 -8.467 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.101 6.872 -7.920 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.734 5.756 -6.726 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.073 4.429 -9.783 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.535 4.400 -10.797 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.784 5.953 -10.363 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.263 5.909 -6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.748 4.267 -7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.105 5.400 -8.257 1.00 0.00 H new ATOM 824 N HIS A 59 -10.006 5.448 -11.337 1.00 0.00 N ATOM 825 CA HIS A 59 -10.793 4.778 -12.419 1.00 0.00 C ATOM 826 C HIS A 59 -9.891 3.723 -13.085 1.00 0.00 C ATOM 827 O HIS A 59 -10.240 2.559 -13.154 1.00 0.00 O ATOM 828 CB HIS A 59 -11.231 5.844 -13.437 1.00 0.00 C ATOM 829 CG HIS A 59 -12.102 5.224 -14.536 1.00 0.00 C ATOM 830 ND1 HIS A 59 -12.543 5.877 -15.557 1.00 0.00 N ATOM 831 CD2 HIS A 59 -12.602 3.942 -14.715 1.00 0.00 C ATOM 832 CE1 HIS A 59 -13.251 5.096 -16.310 1.00 0.00 C ATOM 833 NE2 HIS A 59 -13.313 3.882 -15.824 1.00 0.00 N ATOM 0 H HIS A 59 -9.451 6.249 -11.638 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.681 4.288 -12.020 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.786 6.632 -12.928 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -10.352 6.310 -13.883 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.433 3.113 -14.043 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.731 5.408 -17.226 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.800 3.075 -16.214 1.00 0.00 H new ATOM 841 N ASN A 60 -8.739 4.135 -13.549 1.00 0.00 N ATOM 842 CA ASN A 60 -7.812 3.157 -14.212 1.00 0.00 C ATOM 843 C ASN A 60 -6.848 2.590 -13.154 1.00 0.00 C ATOM 844 O ASN A 60 -5.723 3.023 -12.984 1.00 0.00 O ATOM 845 CB ASN A 60 -6.960 3.832 -15.305 1.00 0.00 C ATOM 846 CG ASN A 60 -6.223 2.732 -16.089 1.00 0.00 C ATOM 847 OD1 ASN A 60 -5.719 1.765 -15.560 1.00 0.00 O ATOM 848 ND2 ASN A 60 -6.131 2.837 -17.379 1.00 0.00 N ATOM 0 H ASN A 60 -8.399 5.095 -13.501 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.421 2.376 -14.667 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.593 4.416 -15.973 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.246 4.523 -14.857 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.646 2.118 -17.916 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.544 3.638 -17.856 1.00 0.00 H new ATOM 855 N LEU A 61 -7.325 1.621 -12.432 1.00 0.00 N ATOM 856 CA LEU A 61 -6.492 0.982 -11.373 1.00 0.00 C ATOM 857 C LEU A 61 -5.780 -0.231 -12.017 1.00 0.00 C ATOM 858 O LEU A 61 -6.422 -1.085 -12.596 1.00 0.00 O ATOM 859 CB LEU A 61 -7.487 0.591 -10.264 1.00 0.00 C ATOM 860 CG LEU A 61 -6.861 0.100 -8.936 1.00 0.00 C ATOM 861 CD1 LEU A 61 -7.994 -0.177 -7.980 1.00 0.00 C ATOM 862 CD2 LEU A 61 -6.070 -1.173 -9.122 1.00 0.00 C ATOM 0 H LEU A 61 -8.265 1.238 -12.528 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.715 1.618 -10.949 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.118 1.453 -10.049 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.139 -0.194 -10.648 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.180 0.865 -8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.591 -0.526 -7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.565 0.737 -7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.646 -0.942 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.648 -1.482 -8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.726 -1.957 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.264 -1.000 -9.835 1.00 0.00 H new ATOM 874 N ASN A 62 -4.473 -0.299 -11.917 1.00 0.00 N ATOM 875 CA ASN A 62 -3.743 -1.458 -12.523 1.00 0.00 C ATOM 876 C ASN A 62 -3.313 -2.445 -11.420 1.00 0.00 C ATOM 877 O ASN A 62 -2.414 -2.147 -10.648 1.00 0.00 O ATOM 878 CB ASN A 62 -2.516 -0.919 -13.257 1.00 0.00 C ATOM 879 CG ASN A 62 -1.844 -2.022 -14.038 1.00 0.00 C ATOM 880 OD1 ASN A 62 -1.449 -3.018 -13.478 1.00 0.00 O ATOM 881 ND2 ASN A 62 -1.686 -1.897 -15.321 1.00 0.00 N ATOM 0 H ASN A 62 -3.886 0.390 -11.447 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.391 -1.988 -13.221 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.812 -0.115 -13.931 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.814 -0.492 -12.541 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.230 -2.638 -15.853 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.018 -1.058 -15.796 1.00 0.00 H new ATOM 888 N GLU A 63 -3.941 -3.598 -11.382 1.00 0.00 N ATOM 889 CA GLU A 63 -3.579 -4.609 -10.330 1.00 0.00 C ATOM 890 C GLU A 63 -2.202 -5.217 -10.631 1.00 0.00 C ATOM 891 O GLU A 63 -1.471 -5.511 -9.701 1.00 0.00 O ATOM 892 CB GLU A 63 -4.712 -5.731 -10.251 1.00 0.00 C ATOM 893 CG GLU A 63 -4.522 -6.566 -8.908 1.00 0.00 C ATOM 894 CD GLU A 63 -5.799 -7.287 -8.399 1.00 0.00 C ATOM 895 OE1 GLU A 63 -6.785 -6.576 -8.335 1.00 0.00 O ATOM 896 OE2 GLU A 63 -5.718 -8.471 -8.095 1.00 0.00 O ATOM 0 H GLU A 63 -4.680 -3.882 -12.025 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.518 -4.119 -9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.700 -5.271 -10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.650 -6.391 -11.116 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.742 -7.310 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.166 -5.894 -8.127 1.00 0.00 H new ATOM 903 N ASP A 64 -1.866 -5.358 -11.888 1.00 0.00 N ATOM 904 CA ASP A 64 -0.540 -5.943 -12.260 1.00 0.00 C ATOM 905 C ASP A 64 0.590 -5.130 -11.623 1.00 0.00 C ATOM 906 O ASP A 64 1.484 -5.668 -11.009 1.00 0.00 O ATOM 907 CB ASP A 64 -0.318 -5.912 -13.782 1.00 0.00 C ATOM 908 CG ASP A 64 1.014 -6.619 -14.034 1.00 0.00 C ATOM 909 OD1 ASP A 64 0.968 -7.834 -13.915 1.00 0.00 O ATOM 910 OD2 ASP A 64 1.972 -5.913 -14.317 1.00 0.00 O ATOM 0 H ASP A 64 -2.455 -5.092 -12.677 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.536 -6.974 -11.905 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.131 -6.416 -14.304 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.290 -4.887 -14.150 1.00 0.00 H new ATOM 915 N ASN A 65 0.528 -3.837 -11.758 1.00 0.00 N ATOM 916 CA ASN A 65 1.587 -2.959 -11.183 1.00 0.00 C ATOM 917 C ASN A 65 1.500 -2.952 -9.651 1.00 0.00 C ATOM 918 O ASN A 65 2.480 -3.207 -8.974 1.00 0.00 O ATOM 919 CB ASN A 65 1.390 -1.559 -11.791 1.00 0.00 C ATOM 920 CG ASN A 65 1.620 -1.592 -13.313 1.00 0.00 C ATOM 921 OD1 ASN A 65 2.411 -2.355 -13.834 1.00 0.00 O ATOM 922 ND2 ASN A 65 0.956 -0.779 -14.076 1.00 0.00 N ATOM 0 H ASN A 65 -0.219 -3.344 -12.247 1.00 0.00 H new ATOM 0 HA ASN A 65 2.586 -3.322 -11.426 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.382 -1.202 -11.578 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.082 -0.855 -11.328 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.104 -0.791 -15.085 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.286 -0.128 -13.667 1.00 0.00 H new ATOM 929 N ALA A 66 0.335 -2.668 -9.119 1.00 0.00 N ATOM 930 CA ALA A 66 0.163 -2.651 -7.622 1.00 0.00 C ATOM 931 C ALA A 66 0.717 -3.929 -6.966 1.00 0.00 C ATOM 932 O ALA A 66 1.321 -3.884 -5.903 1.00 0.00 O ATOM 933 CB ALA A 66 -1.301 -2.543 -7.270 1.00 0.00 C ATOM 0 H ALA A 66 -0.506 -2.447 -9.652 1.00 0.00 H new ATOM 0 HA ALA A 66 0.717 -1.790 -7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.415 -2.532 -6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.709 -1.622 -7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.838 -3.397 -7.682 1.00 0.00 H new ATOM 939 N ARG A 67 0.463 -5.030 -7.623 1.00 0.00 N ATOM 940 CA ARG A 67 0.929 -6.345 -7.118 1.00 0.00 C ATOM 941 C ARG A 67 2.425 -6.526 -7.466 1.00 0.00 C ATOM 942 O ARG A 67 3.116 -7.297 -6.825 1.00 0.00 O ATOM 943 CB ARG A 67 -0.006 -7.359 -7.788 1.00 0.00 C ATOM 944 CG ARG A 67 -0.105 -8.637 -6.964 1.00 0.00 C ATOM 945 CD ARG A 67 -1.043 -9.599 -7.720 1.00 0.00 C ATOM 946 NE ARG A 67 -1.103 -10.876 -6.947 1.00 0.00 N ATOM 947 CZ ARG A 67 -0.480 -11.912 -7.420 1.00 0.00 C ATOM 948 NH1 ARG A 67 0.779 -12.022 -7.139 1.00 0.00 N ATOM 949 NH2 ARG A 67 -1.110 -12.782 -8.152 1.00 0.00 N ATOM 0 H ARG A 67 -0.056 -5.069 -8.500 1.00 0.00 H new ATOM 0 HA ARG A 67 0.882 -6.462 -6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.997 -6.921 -7.908 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.362 -7.594 -8.787 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.879 -9.086 -6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.495 -8.423 -5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.038 -9.164 -7.818 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.673 -9.780 -8.729 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.620 -10.932 -6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.238 -11.312 -6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.312 -12.819 -7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.101 -12.653 -8.358 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.614 -13.594 -8.520 1.00 0.00 H new ATOM 963 N SER A 68 2.894 -5.799 -8.453 1.00 0.00 N ATOM 964 CA SER A 68 4.333 -5.920 -8.847 1.00 0.00 C ATOM 965 C SER A 68 5.266 -5.071 -7.981 1.00 0.00 C ATOM 966 O SER A 68 6.467 -5.174 -8.131 1.00 0.00 O ATOM 967 CB SER A 68 4.475 -5.529 -10.308 1.00 0.00 C ATOM 968 OG SER A 68 3.926 -6.675 -10.934 1.00 0.00 O ATOM 0 H SER A 68 2.347 -5.133 -8.998 1.00 0.00 H new ATOM 0 HA SER A 68 4.633 -6.957 -8.693 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.924 -4.620 -10.550 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.513 -5.358 -10.593 1.00 0.00 H new ATOM 0 HG SER A 68 2.960 -6.554 -11.049 1.00 0.00 H new ATOM 974 N ILE A 69 4.728 -4.271 -7.097 1.00 0.00 N ATOM 975 CA ILE A 69 5.582 -3.418 -6.197 1.00 0.00 C ATOM 976 C ILE A 69 6.283 -4.338 -5.140 1.00 0.00 C ATOM 977 O ILE A 69 7.502 -4.395 -5.069 1.00 0.00 O ATOM 978 CB ILE A 69 4.649 -2.352 -5.503 1.00 0.00 C ATOM 979 CG1 ILE A 69 3.942 -1.441 -6.526 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.461 -1.502 -4.555 1.00 0.00 C ATOM 981 CD1 ILE A 69 2.684 -0.823 -5.849 1.00 0.00 C ATOM 0 H ILE A 69 3.723 -4.167 -6.954 1.00 0.00 H new ATOM 0 HA ILE A 69 6.357 -2.897 -6.760 1.00 0.00 H new ATOM 0 HB ILE A 69 3.881 -2.900 -4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.617 -0.654 -6.862 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.655 -2.013 -7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.812 -0.767 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.912 -2.137 -3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.246 -0.987 -5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.170 -0.175 -6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.011 -1.621 -5.534 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.988 -0.240 -4.979 1.00 0.00 H new ATOM 993 N PRO A 70 5.516 -5.055 -4.339 1.00 0.00 N ATOM 994 CA PRO A 70 6.110 -5.938 -3.303 1.00 0.00 C ATOM 995 C PRO A 70 7.145 -6.983 -3.767 1.00 0.00 C ATOM 996 O PRO A 70 8.158 -7.080 -3.102 1.00 0.00 O ATOM 997 CB PRO A 70 4.875 -6.566 -2.596 1.00 0.00 C ATOM 998 CG PRO A 70 3.714 -6.434 -3.609 1.00 0.00 C ATOM 999 CD PRO A 70 4.014 -5.109 -4.306 1.00 0.00 C ATOM 0 HA PRO A 70 6.745 -5.347 -2.643 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.057 -7.610 -2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.647 -6.045 -1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.697 -7.266 -4.313 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.744 -6.418 -3.111 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.590 -5.080 -5.310 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.595 -4.265 -3.758 1.00 0.00 H new ATOM 1007 N PRO A 71 6.910 -7.722 -4.835 1.00 0.00 N ATOM 1008 CA PRO A 71 7.876 -8.745 -5.322 1.00 0.00 C ATOM 1009 C PRO A 71 9.232 -8.154 -5.708 1.00 0.00 C ATOM 1010 O PRO A 71 10.248 -8.586 -5.202 1.00 0.00 O ATOM 1011 CB PRO A 71 7.172 -9.417 -6.509 1.00 0.00 C ATOM 1012 CG PRO A 71 6.236 -8.300 -7.021 1.00 0.00 C ATOM 1013 CD PRO A 71 5.712 -7.689 -5.717 1.00 0.00 C ATOM 0 HA PRO A 71 8.124 -9.459 -4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.881 -9.734 -7.274 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.616 -10.303 -6.202 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.770 -7.568 -7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.429 -8.696 -7.637 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.346 -6.673 -5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.887 -8.268 -5.301 1.00 0.00 H new ATOM 1021 N LYS A 72 9.207 -7.184 -6.590 1.00 0.00 N ATOM 1022 CA LYS A 72 10.484 -6.544 -7.037 1.00 0.00 C ATOM 1023 C LYS A 72 11.223 -5.928 -5.860 1.00 0.00 C ATOM 1024 O LYS A 72 12.435 -5.976 -5.789 1.00 0.00 O ATOM 1025 CB LYS A 72 10.206 -5.439 -8.069 1.00 0.00 C ATOM 1026 CG LYS A 72 9.265 -4.341 -7.534 1.00 0.00 C ATOM 1027 CD LYS A 72 8.827 -3.400 -8.688 1.00 0.00 C ATOM 1028 CE LYS A 72 9.989 -2.508 -9.189 1.00 0.00 C ATOM 1029 NZ LYS A 72 9.517 -1.699 -10.361 1.00 0.00 N ATOM 0 H LYS A 72 8.361 -6.809 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 72 11.098 -7.324 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.150 -4.986 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.766 -5.885 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.388 -4.796 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.770 -3.766 -6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.446 -3.997 -9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.007 -2.768 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.329 -1.849 -8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.840 -3.125 -9.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.230 -0.979 -10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.374 -2.325 -11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.620 -1.231 -10.121 1.00 0.00 H new ATOM 1043 N CYS A 73 10.461 -5.353 -4.976 1.00 0.00 N ATOM 1044 CA CYS A 73 11.049 -4.709 -3.775 1.00 0.00 C ATOM 1045 C CYS A 73 11.649 -5.740 -2.803 1.00 0.00 C ATOM 1046 O CYS A 73 12.816 -5.679 -2.464 1.00 0.00 O ATOM 1047 CB CYS A 73 9.928 -3.953 -3.151 1.00 0.00 C ATOM 1048 SG CYS A 73 10.383 -2.684 -1.959 1.00 0.00 S ATOM 0 H CYS A 73 9.444 -5.302 -5.036 1.00 0.00 H new ATOM 0 HA CYS A 73 11.881 -4.056 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.349 -3.483 -3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.269 -4.666 -2.656 1.00 0.00 H new ATOM 1053 N GLY A 74 10.827 -6.655 -2.357 1.00 0.00 N ATOM 1054 CA GLY A 74 11.300 -7.709 -1.404 1.00 0.00 C ATOM 1055 C GLY A 74 10.778 -7.432 0.003 1.00 0.00 C ATOM 1056 O GLY A 74 11.476 -7.644 0.980 1.00 0.00 O ATOM 0 H GLY A 74 9.842 -6.719 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.959 -8.689 -1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.390 -7.737 -1.395 1.00 0.00 H new ATOM 1060 N VAL A 75 9.586 -6.899 0.086 1.00 0.00 N ATOM 1061 CA VAL A 75 8.970 -6.601 1.407 1.00 0.00 C ATOM 1062 C VAL A 75 7.675 -7.396 1.564 1.00 0.00 C ATOM 1063 O VAL A 75 7.313 -7.745 2.666 1.00 0.00 O ATOM 1064 CB VAL A 75 8.712 -5.079 1.464 1.00 0.00 C ATOM 1065 CG1 VAL A 75 9.944 -4.323 1.029 1.00 0.00 C ATOM 1066 CG2 VAL A 75 7.539 -4.609 0.640 1.00 0.00 C ATOM 0 H VAL A 75 9.008 -6.656 -0.719 1.00 0.00 H new ATOM 0 HA VAL A 75 9.628 -6.891 2.226 1.00 0.00 H new ATOM 0 HB VAL A 75 8.466 -4.872 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.748 -3.252 1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.774 -4.568 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.200 -4.602 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.433 -3.529 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.705 -4.862 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.629 -5.096 0.991 1.00 0.00 H new ATOM 1076 N ASN A 76 7.028 -7.655 0.457 1.00 0.00 N ATOM 1077 CA ASN A 76 5.745 -8.419 0.448 1.00 0.00 C ATOM 1078 C ASN A 76 4.693 -7.763 1.362 1.00 0.00 C ATOM 1079 O ASN A 76 4.650 -7.988 2.553 1.00 0.00 O ATOM 1080 CB ASN A 76 6.005 -9.836 0.921 1.00 0.00 C ATOM 1081 CG ASN A 76 4.853 -10.681 0.364 1.00 0.00 C ATOM 1082 OD1 ASN A 76 4.847 -11.039 -0.797 1.00 0.00 O ATOM 1083 ND2 ASN A 76 3.856 -11.010 1.127 1.00 0.00 N ATOM 0 H ASN A 76 7.345 -7.360 -0.466 1.00 0.00 H new ATOM 0 HA ASN A 76 5.357 -8.422 -0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.967 -10.199 0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.035 -9.885 2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.085 -11.560 0.749 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.844 -10.718 2.104 1.00 0.00 H new ATOM 1090 N LEU A 77 3.838 -6.965 0.785 1.00 0.00 N ATOM 1091 CA LEU A 77 2.789 -6.284 1.619 1.00 0.00 C ATOM 1092 C LEU A 77 1.564 -7.187 1.698 1.00 0.00 C ATOM 1093 O LEU A 77 1.335 -7.944 0.777 1.00 0.00 O ATOM 1094 CB LEU A 77 2.357 -4.927 0.969 1.00 0.00 C ATOM 1095 CG LEU A 77 2.758 -3.724 1.852 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.247 -3.660 2.091 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.302 -2.441 1.197 1.00 0.00 C ATOM 0 H LEU A 77 3.813 -6.752 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 77 3.201 -6.091 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.820 -4.829 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.278 -4.923 0.815 1.00 0.00 H new ATOM 0 HG LEU A 77 2.272 -3.853 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.478 -2.798 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.574 -4.571 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.765 -3.565 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.585 -1.593 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.773 -2.345 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.219 -2.458 1.079 1.00 0.00 H new ATOM 1109 N PRO A 78 0.811 -7.092 2.772 1.00 0.00 N ATOM 1110 CA PRO A 78 -0.446 -7.858 2.911 1.00 0.00 C ATOM 1111 C PRO A 78 -1.594 -7.155 2.179 1.00 0.00 C ATOM 1112 O PRO A 78 -2.687 -7.681 2.180 1.00 0.00 O ATOM 1113 CB PRO A 78 -0.682 -7.953 4.437 1.00 0.00 C ATOM 1114 CG PRO A 78 0.588 -7.287 5.077 1.00 0.00 C ATOM 1115 CD PRO A 78 1.068 -6.291 4.005 1.00 0.00 C ATOM 0 HA PRO A 78 -0.390 -8.850 2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.593 -7.432 4.730 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.790 -8.989 4.758 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.345 -6.781 6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.355 -8.027 5.305 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.504 -5.358 4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.120 -6.030 4.120 1.00 0.00 H new ATOM 1123 N TYR A 79 -1.346 -6.010 1.581 1.00 0.00 N ATOM 1124 CA TYR A 79 -2.442 -5.286 0.853 1.00 0.00 C ATOM 1125 C TYR A 79 -1.828 -4.140 0.033 1.00 0.00 C ATOM 1126 O TYR A 79 -0.999 -3.418 0.542 1.00 0.00 O ATOM 1127 CB TYR A 79 -3.456 -4.769 1.926 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.705 -3.845 2.890 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -2.008 -4.364 3.963 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -2.694 -2.487 2.673 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -1.308 -3.532 4.807 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -1.992 -1.666 3.519 1.00 0.00 C ATOM 1133 CZ TYR A 79 -1.303 -2.177 4.577 1.00 0.00 C ATOM 1134 OH TYR A 79 -0.618 -1.310 5.390 1.00 0.00 O ATOM 0 H TYR A 79 -0.437 -5.548 1.565 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.969 -5.937 0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.276 -4.233 1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.896 -5.606 2.468 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.012 -5.429 4.141 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.237 -2.068 1.839 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.765 -3.942 5.646 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.986 -0.600 3.344 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.061 -0.719 4.842 1.00 0.00 H new ATOM 1144 N THR A 80 -2.223 -3.999 -1.206 1.00 0.00 N ATOM 1145 CA THR A 80 -1.667 -2.905 -2.078 1.00 0.00 C ATOM 1146 C THR A 80 -2.826 -1.989 -2.508 1.00 0.00 C ATOM 1147 O THR A 80 -3.854 -1.940 -1.865 1.00 0.00 O ATOM 1148 CB THR A 80 -0.944 -3.587 -3.326 1.00 0.00 C ATOM 1149 OG1 THR A 80 -0.347 -2.554 -4.114 1.00 0.00 O ATOM 1150 CG2 THR A 80 -1.895 -4.266 -4.283 1.00 0.00 C ATOM 0 H THR A 80 -2.913 -4.597 -1.660 1.00 0.00 H new ATOM 0 HA THR A 80 -0.935 -2.294 -1.550 1.00 0.00 H new ATOM 0 HB THR A 80 -0.251 -4.317 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.296 -2.949 -4.739 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.331 -4.706 -5.105 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.442 -5.049 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.599 -3.533 -4.677 1.00 0.00 H new ATOM 1158 N ILE A 81 -2.630 -1.286 -3.589 1.00 0.00 N ATOM 1159 CA ILE A 81 -3.678 -0.353 -4.116 1.00 0.00 C ATOM 1160 C ILE A 81 -4.679 -1.180 -4.962 1.00 0.00 C ATOM 1161 O ILE A 81 -4.690 -1.101 -6.174 1.00 0.00 O ATOM 1162 CB ILE A 81 -2.964 0.742 -4.988 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -1.755 1.377 -4.232 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -3.920 1.817 -5.457 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -2.189 1.965 -2.870 1.00 0.00 C ATOM 0 H ILE A 81 -1.774 -1.316 -4.142 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.223 0.140 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.586 0.231 -5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.984 0.622 -4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.312 2.162 -4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.378 2.550 -6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.707 1.366 -6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.364 2.311 -4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.324 2.399 -2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.941 2.737 -3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.608 1.173 -2.249 1.00 0.00 H new ATOM 1177 N SER A 82 -5.495 -1.969 -4.312 1.00 0.00 N ATOM 1178 CA SER A 82 -6.506 -2.807 -5.057 1.00 0.00 C ATOM 1179 C SER A 82 -7.629 -3.220 -4.096 1.00 0.00 C ATOM 1180 O SER A 82 -7.606 -2.857 -2.936 1.00 0.00 O ATOM 1181 CB SER A 82 -5.851 -4.115 -5.635 1.00 0.00 C ATOM 1182 OG SER A 82 -6.950 -4.812 -6.218 1.00 0.00 O ATOM 0 H SER A 82 -5.512 -2.075 -3.298 1.00 0.00 H new ATOM 0 HA SER A 82 -6.894 -2.209 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.084 -3.886 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.373 -4.704 -4.852 1.00 0.00 H new ATOM 0 HG SER A 82 -6.628 -5.374 -6.953 1.00 0.00 H new ATOM 1188 N LEU A 83 -8.583 -3.951 -4.604 1.00 0.00 N ATOM 1189 CA LEU A 83 -9.730 -4.424 -3.781 1.00 0.00 C ATOM 1190 C LEU A 83 -9.706 -5.967 -3.791 1.00 0.00 C ATOM 1191 O LEU A 83 -10.740 -6.596 -3.683 1.00 0.00 O ATOM 1192 CB LEU A 83 -11.032 -3.893 -4.415 1.00 0.00 C ATOM 1193 CG LEU A 83 -11.003 -2.340 -4.540 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -12.107 -1.908 -5.476 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -11.215 -1.707 -3.182 1.00 0.00 C ATOM 0 H LEU A 83 -8.615 -4.247 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.668 -4.066 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.168 -4.338 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.885 -4.196 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.036 -2.022 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.098 -0.822 -5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.952 -2.361 -6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.069 -2.229 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.193 -0.622 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.181 -2.016 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.424 -2.027 -2.504 1.00 0.00 H new ATOM 1207 N ASN A 84 -8.537 -6.544 -3.907 1.00 0.00 N ATOM 1208 CA ASN A 84 -8.423 -8.032 -3.931 1.00 0.00 C ATOM 1209 C ASN A 84 -7.557 -8.558 -2.778 1.00 0.00 C ATOM 1210 O ASN A 84 -6.856 -9.536 -2.935 1.00 0.00 O ATOM 1211 CB ASN A 84 -7.834 -8.355 -5.318 1.00 0.00 C ATOM 1212 CG ASN A 84 -8.862 -8.041 -6.416 1.00 0.00 C ATOM 1213 OD1 ASN A 84 -9.311 -6.925 -6.576 1.00 0.00 O ATOM 1214 ND2 ASN A 84 -9.286 -8.978 -7.209 1.00 0.00 N ATOM 0 H ASN A 84 -7.652 -6.044 -3.987 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.385 -8.524 -3.784 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.927 -7.772 -5.481 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.550 -9.406 -5.365 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.971 -8.762 -7.933 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.934 -9.930 -7.108 1.00 0.00 H new ATOM 1221 N ILE A 85 -7.608 -7.901 -1.648 1.00 0.00 N ATOM 1222 CA ILE A 85 -6.800 -8.335 -0.473 1.00 0.00 C ATOM 1223 C ILE A 85 -7.576 -8.088 0.828 1.00 0.00 C ATOM 1224 O ILE A 85 -8.383 -7.178 0.862 1.00 0.00 O ATOM 1225 CB ILE A 85 -5.476 -7.530 -0.470 1.00 0.00 C ATOM 1226 CG1 ILE A 85 -5.733 -5.967 -0.410 1.00 0.00 C ATOM 1227 CG2 ILE A 85 -4.643 -7.898 -1.677 1.00 0.00 C ATOM 1228 CD1 ILE A 85 -6.325 -5.303 -1.676 1.00 0.00 C ATOM 0 H ILE A 85 -8.182 -7.073 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.588 -9.402 -0.540 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.925 -7.794 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.406 -5.766 0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.787 -5.477 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.715 -7.327 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.414 -8.963 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.199 -7.669 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.451 -4.234 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.649 -5.456 -2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.293 -5.750 -1.903 1.00 0.00 H new ATOM 1240 N ASP A 86 -7.301 -8.875 1.839 1.00 0.00 N ATOM 1241 CA ASP A 86 -7.994 -8.714 3.141 1.00 0.00 C ATOM 1242 C ASP A 86 -6.986 -8.490 4.274 1.00 0.00 C ATOM 1243 O ASP A 86 -6.350 -9.411 4.747 1.00 0.00 O ATOM 1244 CB ASP A 86 -8.827 -9.966 3.397 1.00 0.00 C ATOM 1245 CG ASP A 86 -10.074 -9.914 2.514 1.00 0.00 C ATOM 1246 OD1 ASP A 86 -9.979 -10.406 1.402 1.00 0.00 O ATOM 1247 OD2 ASP A 86 -11.040 -9.368 3.022 1.00 0.00 O ATOM 0 H ASP A 86 -6.616 -9.630 1.810 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.641 -7.838 3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.244 -10.860 3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.110 -10.023 4.448 1.00 0.00 H new ATOM 1252 N CYS A 87 -6.848 -7.259 4.672 1.00 0.00 N ATOM 1253 CA CYS A 87 -5.904 -6.909 5.774 1.00 0.00 C ATOM 1254 C CYS A 87 -6.227 -7.628 7.092 1.00 0.00 C ATOM 1255 O CYS A 87 -5.369 -8.238 7.700 1.00 0.00 O ATOM 1256 CB CYS A 87 -5.968 -5.399 5.977 1.00 0.00 C ATOM 1257 SG CYS A 87 -5.210 -4.398 4.684 1.00 0.00 S ATOM 0 H CYS A 87 -7.355 -6.467 4.277 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.904 -7.234 5.488 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.015 -5.108 6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -5.487 -5.159 6.925 1.00 0.00 H new ATOM 1262 N SER A 88 -7.461 -7.506 7.513 1.00 0.00 N ATOM 1263 CA SER A 88 -7.946 -8.141 8.792 1.00 0.00 C ATOM 1264 C SER A 88 -9.324 -7.577 9.089 1.00 0.00 C ATOM 1265 O SER A 88 -10.279 -8.315 9.215 1.00 0.00 O ATOM 1266 CB SER A 88 -6.960 -7.806 9.978 1.00 0.00 C ATOM 1267 OG SER A 88 -7.609 -7.951 11.252 1.00 0.00 O ATOM 0 H SER A 88 -8.177 -6.979 7.013 1.00 0.00 H new ATOM 0 HA SER A 88 -7.988 -9.225 8.685 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.094 -8.466 9.931 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.590 -6.786 9.870 1.00 0.00 H new ATOM 0 HG SER A 88 -7.865 -7.068 11.591 1.00 0.00 H new ATOM 1273 N ARG A 89 -9.389 -6.275 9.202 1.00 0.00 N ATOM 1274 CA ARG A 89 -10.701 -5.626 9.493 1.00 0.00 C ATOM 1275 C ARG A 89 -10.616 -4.175 8.997 1.00 0.00 C ATOM 1276 O ARG A 89 -11.062 -3.277 9.681 1.00 0.00 O ATOM 1277 CB ARG A 89 -10.956 -5.703 11.031 1.00 0.00 C ATOM 1278 CG ARG A 89 -12.458 -5.508 11.346 1.00 0.00 C ATOM 1279 CD ARG A 89 -12.634 -5.648 12.890 1.00 0.00 C ATOM 1280 NE ARG A 89 -14.080 -5.675 13.315 1.00 0.00 N ATOM 1281 CZ ARG A 89 -15.066 -5.598 12.467 1.00 0.00 C ATOM 1282 NH1 ARG A 89 -15.214 -6.594 11.648 1.00 0.00 N ATOM 1283 NH2 ARG A 89 -15.833 -4.547 12.490 1.00 0.00 N ATOM 0 H ARG A 89 -8.598 -5.639 9.106 1.00 0.00 H new ATOM 0 HA ARG A 89 -11.531 -6.122 8.990 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.621 -6.668 11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.370 -4.938 11.541 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.797 -4.528 11.009 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.059 -6.251 10.822 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.145 -6.563 13.225 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.130 -4.818 13.385 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.296 -5.757 14.309 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.574 -7.387 11.689 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.971 -6.584 10.964 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -15.657 -3.802 13.164 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -16.610 -4.468 11.834 1.00 0.00 H new ATOM 1297 N VAL A 90 -10.020 -3.982 7.854 1.00 0.00 N ATOM 1298 CA VAL A 90 -9.905 -2.601 7.303 1.00 0.00 C ATOM 1299 C VAL A 90 -11.293 -2.200 6.737 1.00 0.00 C ATOM 1300 O VAL A 90 -12.089 -3.056 6.372 1.00 0.00 O ATOM 1301 CB VAL A 90 -8.809 -2.610 6.184 1.00 0.00 C ATOM 1302 CG1 VAL A 90 -9.147 -3.597 5.091 1.00 0.00 C ATOM 1303 CG2 VAL A 90 -8.722 -1.233 5.575 1.00 0.00 C ATOM 1304 OXT VAL A 90 -11.475 -0.996 6.698 1.00 0.00 O ATOM 0 H VAL A 90 -9.609 -4.717 7.279 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.613 -1.878 8.065 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.861 -2.901 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.367 -3.579 4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.217 -4.599 5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.101 -3.326 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.961 -1.228 4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.686 -0.964 5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.455 -0.510 6.346 1.00 0.00 H new TER 1314 VAL A 90