USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 872 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 49 HIS : no HD1:sc= -3.94 K(o=-5.4,f=-2.4) USER MOD Set 1.2: A 112 GLN : amide:sc= -1.43 K(o=-5.4,f=-4.7) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0.23 USER MOD Set 2.2: A 23 LYS NZ :NH3+ -156:sc= -2.58! (180deg=-4!) USER MOD Set 3.1: A 7 HIS : no HD1:sc= -0.911 K(o=-1.1,f=-0.45) USER MOD Set 3.2: A 8 HIS : no HD1:sc= -0.184 X(o=-1.1,f=-0.86) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0 (180deg=-0.221) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -1.97 X(o=-2,f=-1.5) USER MOD Single : A 9 HIS : no HD1:sc= -0.534 K(o=-0.53,f=-1.4) USER MOD Single : A 10 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.12) USER MOD Single : A 11 HIS : no HD1:sc= -3! X(o=-3!,f=-2.7) USER MOD Single : A 12 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-0.044) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.25! C(o=-4.2!,f=-10!) USER MOD Single : A 21 LYS NZ :NH3+ -122:sc=-0.00937 (180deg=-1.91!) USER MOD Single : A 28 CYS SG : rot 140:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 103:sc= 0.959 USER MOD Single : A 37 MET CE :methyl -109:sc= -0.779 (180deg=-1.75!) USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -0.38 (180deg=-1.63!) USER MOD Single : A 46 CYS SG : rot 71:sc= -1.71 USER MOD Single : A 47 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.11) USER MOD Single : A 48 SER OG : rot 83:sc= 0.536 USER MOD Single : A 50 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.014) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 37:sc= -1.3 USER MOD Single : A 61 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -169:sc= -1.06 (180deg=-1.34) USER MOD Single : A 71 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-3.8!) USER MOD Single : A 74 CYS SG : rot 180:sc= -1.65! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -51:sc= 0.782 USER MOD Single : A 82 SER OG : rot 67:sc= 0.449 USER MOD Single : A 90 HIS : no HE2:sc= -3.78! C(o=-3.8!,f=-2.3!) USER MOD Single : A 92 MET CE :methyl -148:sc= -0.505 (180deg=-2.05!) USER MOD Single : A 96 SER OG : rot -87:sc= -0.305! USER MOD Single : A 104 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.5) USER MOD Single : A 105 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.36) USER MOD Single : A 106 LYS NZ :NH3+ 157:sc= -1.65! (180deg=-1.85!) USER MOD Single : A 109 THR OG1 : rot 70:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.277 11.401 -27.692 1.00 0.00 N ATOM 2 CA MET A 1 30.460 10.707 -26.655 1.00 0.00 C ATOM 3 C MET A 1 29.867 11.698 -25.659 1.00 0.00 C ATOM 4 O MET A 1 30.429 12.768 -25.424 1.00 0.00 O ATOM 5 CB MET A 1 31.346 9.692 -25.924 1.00 0.00 C ATOM 6 CG MET A 1 32.122 8.777 -26.857 1.00 0.00 C ATOM 7 SD MET A 1 32.580 7.216 -26.079 1.00 0.00 S ATOM 8 CE MET A 1 34.366 7.343 -26.088 1.00 0.00 C ATOM 0 H1 MET A 1 31.411 10.770 -28.508 1.00 0.00 H new ATOM 0 H2 MET A 1 30.787 12.265 -27.999 1.00 0.00 H new ATOM 0 H3 MET A 1 32.204 11.652 -27.293 1.00 0.00 H new ATOM 0 HA MET A 1 29.630 10.197 -27.144 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.049 10.229 -25.287 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.723 9.084 -25.268 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.521 8.574 -27.743 1.00 0.00 H new ATOM 0 HG3 MET A 1 33.024 9.289 -27.194 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.797 6.449 -25.637 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.719 7.438 -27.115 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.671 8.220 -25.517 1.00 0.00 H new ATOM 20 N GLY A 2 28.730 11.336 -25.073 1.00 0.00 N ATOM 21 CA GLY A 2 28.083 12.206 -24.110 1.00 0.00 C ATOM 22 C GLY A 2 27.700 11.478 -22.836 1.00 0.00 C ATOM 23 O GLY A 2 27.211 10.350 -22.881 1.00 0.00 O ATOM 0 H GLY A 2 28.246 10.456 -25.248 1.00 0.00 H new ATOM 0 HA2 GLY A 2 28.750 13.032 -23.866 1.00 0.00 H new ATOM 0 HA3 GLY A 2 27.190 12.640 -24.560 1.00 0.00 H new ATOM 27 N SER A 3 27.923 12.126 -21.698 1.00 0.00 N ATOM 28 CA SER A 3 27.597 11.535 -20.405 1.00 0.00 C ATOM 29 C SER A 3 26.303 12.119 -19.849 1.00 0.00 C ATOM 30 O SER A 3 26.102 13.333 -19.865 1.00 0.00 O ATOM 31 CB SER A 3 28.739 11.764 -19.414 1.00 0.00 C ATOM 32 OG SER A 3 29.522 12.885 -19.788 1.00 0.00 O ATOM 0 H SER A 3 28.328 13.061 -21.644 1.00 0.00 H new ATOM 0 HA SER A 3 27.458 10.464 -20.549 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.332 11.918 -18.415 1.00 0.00 H new ATOM 0 HB3 SER A 3 29.369 10.876 -19.368 1.00 0.00 H new ATOM 0 HG SER A 3 30.244 13.011 -19.138 1.00 0.00 H new ATOM 38 N SER A 4 25.429 11.247 -19.356 1.00 0.00 N ATOM 39 CA SER A 4 24.155 11.679 -18.794 1.00 0.00 C ATOM 40 C SER A 4 24.150 11.518 -17.277 1.00 0.00 C ATOM 41 O SER A 4 24.133 12.503 -16.538 1.00 0.00 O ATOM 42 CB SER A 4 23.005 10.880 -19.408 1.00 0.00 C ATOM 43 OG SER A 4 21.834 10.973 -18.612 1.00 0.00 O ATOM 0 H SER A 4 25.580 10.238 -19.334 1.00 0.00 H new ATOM 0 HA SER A 4 24.020 12.734 -19.031 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.796 11.251 -20.412 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.298 9.835 -19.509 1.00 0.00 H new ATOM 0 HG SER A 4 21.114 10.455 -19.028 1.00 0.00 H new ATOM 49 N HIS A 5 24.163 10.271 -16.822 1.00 0.00 N ATOM 50 CA HIS A 5 24.159 9.978 -15.393 1.00 0.00 C ATOM 51 C HIS A 5 22.926 10.571 -14.719 1.00 0.00 C ATOM 52 O HIS A 5 22.994 11.638 -14.108 1.00 0.00 O ATOM 53 CB HIS A 5 25.426 10.527 -14.737 1.00 0.00 C ATOM 54 CG HIS A 5 26.666 9.781 -15.116 1.00 0.00 C ATOM 55 ND1 HIS A 5 27.912 10.368 -15.163 1.00 0.00 N ATOM 56 CD2 HIS A 5 26.850 8.486 -15.469 1.00 0.00 C ATOM 57 CE1 HIS A 5 28.809 9.471 -15.527 1.00 0.00 C ATOM 58 NE2 HIS A 5 28.191 8.320 -15.719 1.00 0.00 N ATOM 0 H HIS A 5 24.176 9.446 -17.422 1.00 0.00 H new ATOM 0 HA HIS A 5 24.133 8.895 -15.269 1.00 0.00 H new ATOM 0 HB2 HIS A 5 25.543 11.575 -15.013 1.00 0.00 H new ATOM 0 HB3 HIS A 5 25.308 10.494 -13.654 1.00 0.00 H new ATOM 0 HD2 HIS A 5 26.086 7.726 -15.541 1.00 0.00 H new ATOM 0 HE1 HIS A 5 29.868 9.648 -15.647 1.00 0.00 H new ATOM 0 HE2 HIS A 5 28.637 7.449 -16.006 1.00 0.00 H new ATOM 67 N HIS A 6 21.801 9.874 -14.834 1.00 0.00 N ATOM 68 CA HIS A 6 20.553 10.333 -14.234 1.00 0.00 C ATOM 69 C HIS A 6 19.500 9.229 -14.258 1.00 0.00 C ATOM 70 O HIS A 6 19.079 8.782 -15.325 1.00 0.00 O ATOM 71 CB HIS A 6 20.031 11.566 -14.975 1.00 0.00 C ATOM 72 CG HIS A 6 20.567 12.856 -14.439 1.00 0.00 C ATOM 73 ND1 HIS A 6 20.892 13.929 -15.243 1.00 0.00 N ATOM 74 CD2 HIS A 6 20.838 13.246 -13.170 1.00 0.00 C ATOM 75 CE1 HIS A 6 21.340 14.921 -14.495 1.00 0.00 C ATOM 76 NE2 HIS A 6 21.316 14.533 -13.233 1.00 0.00 N ATOM 0 H HIS A 6 21.727 8.990 -15.337 1.00 0.00 H new ATOM 0 HA HIS A 6 20.753 10.598 -13.196 1.00 0.00 H new ATOM 0 HB2 HIS A 6 20.292 11.484 -16.030 1.00 0.00 H new ATOM 0 HB3 HIS A 6 18.943 11.582 -14.916 1.00 0.00 H new ATOM 0 HD2 HIS A 6 20.703 12.656 -12.276 1.00 0.00 H new ATOM 0 HE1 HIS A 6 21.670 15.885 -14.854 1.00 0.00 H new ATOM 0 HE2 HIS A 6 21.605 15.097 -12.434 1.00 0.00 H new ATOM 85 N HIS A 7 19.078 8.795 -13.076 1.00 0.00 N ATOM 86 CA HIS A 7 18.074 7.744 -12.961 1.00 0.00 C ATOM 87 C HIS A 7 16.710 8.331 -12.614 1.00 0.00 C ATOM 88 O HIS A 7 15.957 7.756 -11.829 1.00 0.00 O ATOM 89 CB HIS A 7 18.489 6.723 -11.901 1.00 0.00 C ATOM 90 CG HIS A 7 18.801 7.335 -10.571 1.00 0.00 C ATOM 91 ND1 HIS A 7 19.847 6.917 -9.775 1.00 0.00 N ATOM 92 CD2 HIS A 7 18.198 8.342 -9.893 1.00 0.00 C ATOM 93 CE1 HIS A 7 19.873 7.636 -8.667 1.00 0.00 C ATOM 94 NE2 HIS A 7 18.884 8.509 -8.715 1.00 0.00 N ATOM 0 H HIS A 7 19.416 9.155 -12.183 1.00 0.00 H new ATOM 0 HA HIS A 7 17.999 7.242 -13.926 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.688 5.994 -11.777 1.00 0.00 H new ATOM 0 HB3 HIS A 7 19.364 6.178 -12.256 1.00 0.00 H new ATOM 0 HD2 HIS A 7 17.338 8.908 -10.219 1.00 0.00 H new ATOM 0 HE1 HIS A 7 20.582 7.528 -7.860 1.00 0.00 H new ATOM 0 HE2 HIS A 7 18.665 9.196 -7.994 1.00 0.00 H new ATOM 103 N HIS A 8 16.400 9.481 -13.203 1.00 0.00 N ATOM 104 CA HIS A 8 15.128 10.147 -12.956 1.00 0.00 C ATOM 105 C HIS A 8 14.284 10.196 -14.226 1.00 0.00 C ATOM 106 O HIS A 8 14.801 10.421 -15.320 1.00 0.00 O ATOM 107 CB HIS A 8 15.361 11.563 -12.426 1.00 0.00 C ATOM 108 CG HIS A 8 15.398 11.639 -10.931 1.00 0.00 C ATOM 109 ND1 HIS A 8 15.391 10.524 -10.121 1.00 0.00 N ATOM 110 CD2 HIS A 8 15.444 12.705 -10.096 1.00 0.00 C ATOM 111 CE1 HIS A 8 15.430 10.898 -8.855 1.00 0.00 C ATOM 112 NE2 HIS A 8 15.463 12.217 -8.812 1.00 0.00 N ATOM 0 H HIS A 8 17.013 9.971 -13.855 1.00 0.00 H new ATOM 0 HA HIS A 8 14.586 9.573 -12.204 1.00 0.00 H new ATOM 0 HB2 HIS A 8 16.302 11.942 -12.825 1.00 0.00 H new ATOM 0 HB3 HIS A 8 14.571 12.216 -12.796 1.00 0.00 H new ATOM 0 HD2 HIS A 8 15.462 13.745 -10.386 1.00 0.00 H new ATOM 0 HE1 HIS A 8 15.434 10.237 -8.001 1.00 0.00 H new ATOM 0 HE2 HIS A 8 15.497 12.782 -7.963 1.00 0.00 H new ATOM 121 N HIS A 9 12.983 9.985 -14.068 1.00 0.00 N ATOM 122 CA HIS A 9 12.061 10.004 -15.199 1.00 0.00 C ATOM 123 C HIS A 9 10.615 9.851 -14.733 1.00 0.00 C ATOM 124 O HIS A 9 9.688 10.320 -15.394 1.00 0.00 O ATOM 125 CB HIS A 9 12.413 8.893 -16.192 1.00 0.00 C ATOM 126 CG HIS A 9 12.287 7.512 -15.627 1.00 0.00 C ATOM 127 ND1 HIS A 9 12.806 7.146 -14.403 1.00 0.00 N ATOM 128 CD2 HIS A 9 11.700 6.398 -16.130 1.00 0.00 C ATOM 129 CE1 HIS A 9 12.547 5.870 -14.178 1.00 0.00 C ATOM 130 NE2 HIS A 9 11.877 5.394 -15.210 1.00 0.00 N ATOM 0 H HIS A 9 12.542 9.799 -13.168 1.00 0.00 H new ATOM 0 HA HIS A 9 12.159 10.969 -15.696 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.764 8.979 -17.063 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.435 9.041 -16.540 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.189 6.316 -17.078 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.835 5.312 -13.299 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.544 4.435 -15.309 1.00 0.00 H new ATOM 139 N HIS A 10 10.427 9.195 -13.591 1.00 0.00 N ATOM 140 CA HIS A 10 9.095 8.984 -13.039 1.00 0.00 C ATOM 141 C HIS A 10 8.225 8.188 -14.005 1.00 0.00 C ATOM 142 O HIS A 10 8.647 7.858 -15.113 1.00 0.00 O ATOM 143 CB HIS A 10 8.434 10.326 -12.719 1.00 0.00 C ATOM 144 CG HIS A 10 8.416 10.651 -11.257 1.00 0.00 C ATOM 145 ND1 HIS A 10 8.462 11.939 -10.770 1.00 0.00 N ATOM 146 CD2 HIS A 10 8.355 9.844 -10.170 1.00 0.00 C ATOM 147 CE1 HIS A 10 8.430 11.915 -9.450 1.00 0.00 C ATOM 148 NE2 HIS A 10 8.365 10.654 -9.060 1.00 0.00 N ATOM 0 H HIS A 10 11.182 8.801 -13.030 1.00 0.00 H new ATOM 0 HA HIS A 10 9.197 8.411 -12.118 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.961 11.117 -13.252 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.410 10.316 -13.093 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.307 8.765 -10.175 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.453 12.778 -8.801 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.328 10.334 -8.092 1.00 0.00 H new ATOM 157 N HIS A 11 7.009 7.880 -13.572 1.00 0.00 N ATOM 158 CA HIS A 11 6.071 7.119 -14.388 1.00 0.00 C ATOM 159 C HIS A 11 4.945 8.012 -14.893 1.00 0.00 C ATOM 160 O HIS A 11 4.927 9.213 -14.629 1.00 0.00 O ATOM 161 CB HIS A 11 5.489 5.966 -13.571 1.00 0.00 C ATOM 162 CG HIS A 11 5.057 6.383 -12.200 1.00 0.00 C ATOM 163 ND1 HIS A 11 4.424 7.581 -11.948 1.00 0.00 N ATOM 164 CD2 HIS A 11 5.175 5.764 -11.003 1.00 0.00 C ATOM 165 CE1 HIS A 11 4.173 7.682 -10.656 1.00 0.00 C ATOM 166 NE2 HIS A 11 4.617 6.591 -10.059 1.00 0.00 N ATOM 0 H HIS A 11 6.648 8.147 -12.656 1.00 0.00 H new ATOM 0 HA HIS A 11 6.608 6.720 -15.248 1.00 0.00 H new ATOM 0 HB2 HIS A 11 4.636 5.545 -14.103 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.234 5.175 -13.487 1.00 0.00 H new ATOM 0 HD2 HIS A 11 5.625 4.799 -10.823 1.00 0.00 H new ATOM 0 HE1 HIS A 11 3.687 8.515 -10.170 1.00 0.00 H new ATOM 0 HE2 HIS A 11 4.556 6.395 -9.060 1.00 0.00 H new ATOM 175 N HIS A 12 4.003 7.416 -15.618 1.00 0.00 N ATOM 176 CA HIS A 12 2.868 8.156 -16.159 1.00 0.00 C ATOM 177 C HIS A 12 1.916 7.221 -16.901 1.00 0.00 C ATOM 178 O HIS A 12 2.267 6.656 -17.937 1.00 0.00 O ATOM 179 CB HIS A 12 3.353 9.266 -17.096 1.00 0.00 C ATOM 180 CG HIS A 12 3.045 10.646 -16.603 1.00 0.00 C ATOM 181 ND1 HIS A 12 1.912 11.342 -16.970 1.00 0.00 N ATOM 182 CD2 HIS A 12 3.730 11.466 -15.768 1.00 0.00 C ATOM 183 CE1 HIS A 12 1.912 12.526 -16.384 1.00 0.00 C ATOM 184 NE2 HIS A 12 3.003 12.624 -15.649 1.00 0.00 N ATOM 0 H HIS A 12 4.003 6.421 -15.845 1.00 0.00 H new ATOM 0 HA HIS A 12 2.329 8.608 -15.327 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.430 9.170 -17.232 1.00 0.00 H new ATOM 0 HB3 HIS A 12 2.895 9.129 -18.075 1.00 0.00 H new ATOM 0 HD2 HIS A 12 4.672 11.248 -15.286 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.150 13.284 -16.489 1.00 0.00 H new ATOM 0 HE2 HIS A 12 3.264 13.431 -15.083 1.00 0.00 H new ATOM 193 N GLU A 13 0.710 7.062 -16.362 1.00 0.00 N ATOM 194 CA GLU A 13 -0.298 6.196 -16.969 1.00 0.00 C ATOM 195 C GLU A 13 0.166 4.742 -16.984 1.00 0.00 C ATOM 196 O GLU A 13 0.071 4.059 -18.005 1.00 0.00 O ATOM 197 CB GLU A 13 -0.612 6.662 -18.392 1.00 0.00 C ATOM 198 CG GLU A 13 -1.707 7.713 -18.460 1.00 0.00 C ATOM 199 CD GLU A 13 -3.044 7.193 -17.971 1.00 0.00 C ATOM 200 OE1 GLU A 13 -3.672 6.392 -18.695 1.00 0.00 O ATOM 201 OE2 GLU A 13 -3.465 7.586 -16.862 1.00 0.00 O ATOM 0 H GLU A 13 0.406 7.523 -15.504 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.204 6.260 -16.366 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.295 7.065 -18.842 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.909 5.801 -18.990 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.415 8.576 -17.861 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.810 8.059 -19.488 1.00 0.00 H new ATOM 208 N ASN A 14 0.667 4.274 -15.846 1.00 0.00 N ATOM 209 CA ASN A 14 1.147 2.902 -15.727 1.00 0.00 C ATOM 210 C ASN A 14 2.315 2.651 -16.679 1.00 0.00 C ATOM 211 O ASN A 14 2.369 3.216 -17.771 1.00 0.00 O ATOM 212 CB ASN A 14 0.012 1.912 -16.006 1.00 0.00 C ATOM 213 CG ASN A 14 -0.208 0.949 -14.855 1.00 0.00 C ATOM 214 OD1 ASN A 14 -1.169 1.079 -14.097 1.00 0.00 O ATOM 215 ND2 ASN A 14 0.684 -0.025 -14.718 1.00 0.00 N ATOM 0 H ASN A 14 0.751 4.825 -14.992 1.00 0.00 H new ATOM 0 HA ASN A 14 1.499 2.752 -14.706 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.909 2.463 -16.197 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.239 1.348 -16.911 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.587 -0.702 -13.962 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.466 -0.096 -15.369 1.00 0.00 H new ATOM 222 N LEU A 15 3.251 1.804 -16.258 1.00 0.00 N ATOM 223 CA LEU A 15 4.414 1.488 -17.079 1.00 0.00 C ATOM 224 C LEU A 15 4.737 -0.013 -17.023 1.00 0.00 C ATOM 225 O LEU A 15 4.087 -0.810 -17.699 1.00 0.00 O ATOM 226 CB LEU A 15 5.615 2.337 -16.639 1.00 0.00 C ATOM 227 CG LEU A 15 6.133 3.323 -17.687 1.00 0.00 C ATOM 228 CD1 LEU A 15 5.822 4.754 -17.273 1.00 0.00 C ATOM 229 CD2 LEU A 15 7.631 3.136 -17.892 1.00 0.00 C ATOM 0 H LEU A 15 3.226 1.327 -15.357 1.00 0.00 H new ATOM 0 HA LEU A 15 4.186 1.731 -18.117 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.337 2.895 -15.744 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.429 1.669 -16.358 1.00 0.00 H new ATOM 0 HG LEU A 15 5.627 3.124 -18.632 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.198 5.442 -18.030 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.744 4.878 -17.174 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.301 4.969 -16.318 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.987 3.844 -18.640 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.152 3.311 -16.951 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.828 2.119 -18.232 1.00 0.00 H new ATOM 241 N TYR A 16 5.731 -0.399 -16.218 1.00 0.00 N ATOM 242 CA TYR A 16 6.122 -1.800 -16.089 1.00 0.00 C ATOM 243 C TYR A 16 6.978 -1.999 -14.841 1.00 0.00 C ATOM 244 O TYR A 16 8.206 -2.021 -14.919 1.00 0.00 O ATOM 245 CB TYR A 16 6.903 -2.256 -17.328 1.00 0.00 C ATOM 246 CG TYR A 16 6.041 -2.499 -18.549 1.00 0.00 C ATOM 247 CD1 TYR A 16 5.377 -3.706 -18.727 1.00 0.00 C ATOM 248 CD2 TYR A 16 5.893 -1.520 -19.525 1.00 0.00 C ATOM 249 CE1 TYR A 16 4.589 -3.931 -19.841 1.00 0.00 C ATOM 250 CE2 TYR A 16 5.106 -1.737 -20.641 1.00 0.00 C ATOM 251 CZ TYR A 16 4.457 -2.943 -20.794 1.00 0.00 C ATOM 252 OH TYR A 16 3.671 -3.163 -21.902 1.00 0.00 O ATOM 0 H TYR A 16 6.279 0.243 -15.646 1.00 0.00 H new ATOM 0 HA TYR A 16 5.216 -2.400 -16.000 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.652 -1.502 -17.570 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.440 -3.173 -17.088 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.478 -4.482 -17.983 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.401 -0.574 -19.410 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.080 -4.875 -19.964 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.000 -0.965 -21.389 1.00 0.00 H new ATOM 0 HH TYR A 16 3.683 -2.368 -22.475 1.00 0.00 H new ATOM 262 N PHE A 17 6.321 -2.131 -13.690 1.00 0.00 N ATOM 263 CA PHE A 17 7.017 -2.318 -12.418 1.00 0.00 C ATOM 264 C PHE A 17 7.788 -1.062 -12.031 1.00 0.00 C ATOM 265 O PHE A 17 9.018 -1.027 -12.084 1.00 0.00 O ATOM 266 CB PHE A 17 7.964 -3.518 -12.482 1.00 0.00 C ATOM 267 CG PHE A 17 7.255 -4.841 -12.417 1.00 0.00 C ATOM 268 CD1 PHE A 17 6.545 -5.210 -11.285 1.00 0.00 C ATOM 269 CD2 PHE A 17 7.300 -5.715 -13.491 1.00 0.00 C ATOM 270 CE1 PHE A 17 5.893 -6.428 -11.225 1.00 0.00 C ATOM 271 CE2 PHE A 17 6.650 -6.933 -13.437 1.00 0.00 C ATOM 272 CZ PHE A 17 5.946 -7.290 -12.303 1.00 0.00 C ATOM 0 H PHE A 17 5.304 -2.112 -13.612 1.00 0.00 H new ATOM 0 HA PHE A 17 6.264 -2.513 -11.654 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.540 -3.468 -13.406 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.675 -3.454 -11.659 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.501 -4.539 -10.440 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.849 -5.441 -14.380 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.344 -6.705 -10.337 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.692 -7.606 -14.281 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.438 -8.242 -12.260 1.00 0.00 H new ATOM 282 N GLN A 18 7.047 -0.034 -11.643 1.00 0.00 N ATOM 283 CA GLN A 18 7.634 1.238 -11.240 1.00 0.00 C ATOM 284 C GLN A 18 7.569 1.416 -9.726 1.00 0.00 C ATOM 285 O GLN A 18 8.162 2.344 -9.174 1.00 0.00 O ATOM 286 CB GLN A 18 6.885 2.381 -11.917 1.00 0.00 C ATOM 287 CG GLN A 18 5.395 2.368 -11.619 1.00 0.00 C ATOM 288 CD GLN A 18 4.549 2.257 -12.868 1.00 0.00 C ATOM 289 OE1 GLN A 18 5.021 1.819 -13.916 1.00 0.00 O ATOM 290 NE2 GLN A 18 3.288 2.654 -12.762 1.00 0.00 N ATOM 0 H GLN A 18 6.028 -0.056 -11.598 1.00 0.00 H new ATOM 0 HA GLN A 18 8.681 1.245 -11.544 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.308 3.331 -11.589 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.036 2.320 -12.995 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.169 1.532 -10.957 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.128 3.280 -11.084 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.939 3.011 -11.873 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.667 2.602 -13.570 1.00 0.00 H new ATOM 299 N GLY A 19 6.836 0.530 -9.061 1.00 0.00 N ATOM 300 CA GLY A 19 6.697 0.611 -7.622 1.00 0.00 C ATOM 301 C GLY A 19 5.500 -0.170 -7.122 1.00 0.00 C ATOM 302 O GLY A 19 4.373 0.058 -7.560 1.00 0.00 O ATOM 0 H GLY A 19 6.335 -0.245 -9.496 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.602 0.230 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.598 1.655 -7.326 1.00 0.00 H new ATOM 306 N SER A 20 5.746 -1.097 -6.204 1.00 0.00 N ATOM 307 CA SER A 20 4.681 -1.918 -5.642 1.00 0.00 C ATOM 308 C SER A 20 4.776 -1.958 -4.121 1.00 0.00 C ATOM 309 O SER A 20 5.747 -2.472 -3.564 1.00 0.00 O ATOM 310 CB SER A 20 4.749 -3.337 -6.209 1.00 0.00 C ATOM 311 OG SER A 20 3.457 -3.912 -6.305 1.00 0.00 O ATOM 0 H SER A 20 6.674 -1.299 -5.833 1.00 0.00 H new ATOM 0 HA SER A 20 3.725 -1.472 -5.918 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.215 -3.316 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.379 -3.957 -5.571 1.00 0.00 H new ATOM 0 HG SER A 20 3.529 -4.818 -6.672 1.00 0.00 H new ATOM 317 N LYS A 21 3.766 -1.411 -3.452 1.00 0.00 N ATOM 318 CA LYS A 21 3.743 -1.384 -1.994 1.00 0.00 C ATOM 319 C LYS A 21 2.352 -1.732 -1.465 1.00 0.00 C ATOM 320 O LYS A 21 2.096 -2.876 -1.088 1.00 0.00 O ATOM 321 CB LYS A 21 4.191 -0.011 -1.485 1.00 0.00 C ATOM 322 CG LYS A 21 4.740 -0.032 -0.066 1.00 0.00 C ATOM 323 CD LYS A 21 6.108 0.632 0.017 1.00 0.00 C ATOM 324 CE LYS A 21 6.092 2.037 -0.568 1.00 0.00 C ATOM 325 NZ LYS A 21 5.315 2.982 0.279 1.00 0.00 N ATOM 0 H LYS A 21 2.954 -0.981 -3.895 1.00 0.00 H new ATOM 0 HA LYS A 21 4.439 -2.136 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.956 0.383 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.346 0.676 -1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.046 0.480 0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.814 -1.063 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.428 0.676 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.839 0.025 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.115 2.399 -0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.662 2.009 -1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.547 3.401 -0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.911 2.470 1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.943 3.736 0.624 1.00 0.00 H new ATOM 339 N ARG A 22 1.454 -0.751 -1.442 1.00 0.00 N ATOM 340 CA ARG A 22 0.095 -0.976 -0.963 1.00 0.00 C ATOM 341 C ARG A 22 -0.914 -0.748 -2.085 1.00 0.00 C ATOM 342 O ARG A 22 -0.709 0.103 -2.951 1.00 0.00 O ATOM 343 CB ARG A 22 -0.218 -0.058 0.223 1.00 0.00 C ATOM 344 CG ARG A 22 0.908 0.033 1.241 1.00 0.00 C ATOM 345 CD ARG A 22 0.959 1.405 1.895 1.00 0.00 C ATOM 346 NE ARG A 22 0.626 1.346 3.318 1.00 0.00 N ATOM 347 CZ ARG A 22 1.518 1.472 4.300 1.00 0.00 C ATOM 348 NH1 ARG A 22 2.803 1.663 4.025 1.00 0.00 N ATOM 349 NH2 ARG A 22 1.124 1.406 5.564 1.00 0.00 N ATOM 0 H ARG A 22 1.642 0.204 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 22 0.019 -2.011 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.439 0.942 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.118 -0.418 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.771 -0.731 2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.860 -0.174 0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.956 1.828 1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.265 2.075 1.388 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.350 1.199 3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.115 1.714 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.478 1.758 4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.139 1.259 5.784 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.806 1.502 6.316 1.00 0.00 H new ATOM 363 N LYS A 23 -2.002 -1.513 -2.067 1.00 0.00 N ATOM 364 CA LYS A 23 -3.038 -1.391 -3.086 1.00 0.00 C ATOM 365 C LYS A 23 -4.421 -1.288 -2.444 1.00 0.00 C ATOM 366 O LYS A 23 -4.860 -2.202 -1.744 1.00 0.00 O ATOM 367 CB LYS A 23 -2.976 -2.590 -4.038 1.00 0.00 C ATOM 368 CG LYS A 23 -1.851 -2.494 -5.061 1.00 0.00 C ATOM 369 CD LYS A 23 -1.106 -3.817 -5.212 1.00 0.00 C ATOM 370 CE LYS A 23 0.402 -3.637 -5.092 1.00 0.00 C ATOM 371 NZ LYS A 23 0.878 -2.402 -5.773 1.00 0.00 N ATOM 0 H LYS A 23 -2.188 -2.223 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.862 -0.478 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.849 -3.502 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.927 -2.677 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.262 -2.196 -6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.151 -1.715 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.450 -4.516 -4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.343 -4.259 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.679 -3.598 -4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.905 -4.503 -5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.881 -2.510 -6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.319 -2.244 -6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.767 -1.589 -5.134 1.00 0.00 H new ATOM 385 N ILE A 24 -5.098 -0.163 -2.676 1.00 0.00 N ATOM 386 CA ILE A 24 -6.428 0.064 -2.111 1.00 0.00 C ATOM 387 C ILE A 24 -7.515 -0.103 -3.169 1.00 0.00 C ATOM 388 O ILE A 24 -7.257 0.064 -4.360 1.00 0.00 O ATOM 389 CB ILE A 24 -6.557 1.472 -1.493 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.293 1.838 -0.709 1.00 0.00 C ATOM 391 CG2 ILE A 24 -7.783 1.544 -0.593 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.837 3.264 -0.927 1.00 0.00 C ATOM 0 H ILE A 24 -4.748 0.604 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.559 -0.683 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.676 2.193 -2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.477 1.683 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.489 1.160 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.861 2.543 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.677 1.329 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.690 0.811 0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.937 3.452 -0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.621 3.419 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.624 3.950 -0.613 1.00 0.00 H new ATOM 404 N ILE A 25 -8.735 -0.430 -2.734 1.00 0.00 N ATOM 405 CA ILE A 25 -9.856 -0.617 -3.654 1.00 0.00 C ATOM 406 C ILE A 25 -11.015 0.300 -3.288 1.00 0.00 C ATOM 407 O ILE A 25 -11.269 0.556 -2.111 1.00 0.00 O ATOM 408 CB ILE A 25 -10.371 -2.075 -3.656 1.00 0.00 C ATOM 409 CG1 ILE A 25 -9.263 -3.032 -3.231 1.00 0.00 C ATOM 410 CG2 ILE A 25 -10.916 -2.456 -5.024 1.00 0.00 C ATOM 411 CD1 ILE A 25 -8.061 -3.003 -4.148 1.00 0.00 C ATOM 0 H ILE A 25 -8.970 -0.570 -1.751 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.481 -0.373 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.186 -2.150 -2.936 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.945 -2.782 -2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.661 -4.046 -3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.272 -3.486 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.741 -1.793 -5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.126 -2.363 -5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.311 -3.707 -3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.366 -3.282 -5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.638 -1.998 -4.162 1.00 0.00 H new ATOM 423 N VAL A 26 -11.724 0.783 -4.299 1.00 0.00 N ATOM 424 CA VAL A 26 -12.868 1.663 -4.068 1.00 0.00 C ATOM 425 C VAL A 26 -14.109 1.143 -4.786 1.00 0.00 C ATOM 426 O VAL A 26 -14.116 1.005 -6.010 1.00 0.00 O ATOM 427 CB VAL A 26 -12.582 3.102 -4.536 1.00 0.00 C ATOM 428 CG1 VAL A 26 -13.692 4.043 -4.086 1.00 0.00 C ATOM 429 CG2 VAL A 26 -11.230 3.576 -4.021 1.00 0.00 C ATOM 0 H VAL A 26 -11.532 0.584 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.046 1.673 -2.993 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.551 3.108 -5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.472 5.055 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.641 3.716 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.759 4.033 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.047 4.595 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.227 3.553 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.446 2.920 -4.400 1.00 0.00 H new ATOM 439 N ALA A 27 -15.160 0.851 -4.021 1.00 0.00 N ATOM 440 CA ALA A 27 -16.397 0.343 -4.598 1.00 0.00 C ATOM 441 C ALA A 27 -17.559 1.304 -4.381 1.00 0.00 C ATOM 442 O ALA A 27 -17.877 1.666 -3.248 1.00 0.00 O ATOM 443 CB ALA A 27 -16.727 -1.022 -4.012 1.00 0.00 C ATOM 0 H ALA A 27 -15.177 0.958 -3.007 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.245 0.247 -5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.654 -1.392 -4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.918 -1.718 -4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.846 -0.935 -2.932 1.00 0.00 H new ATOM 449 N CYS A 28 -18.186 1.718 -5.479 1.00 0.00 N ATOM 450 CA CYS A 28 -19.311 2.644 -5.410 1.00 0.00 C ATOM 451 C CYS A 28 -20.347 2.340 -6.491 1.00 0.00 C ATOM 452 O CYS A 28 -21.425 1.823 -6.199 1.00 0.00 O ATOM 453 CB CYS A 28 -18.819 4.086 -5.548 1.00 0.00 C ATOM 454 SG CYS A 28 -19.555 5.229 -4.357 1.00 0.00 S ATOM 0 H CYS A 28 -17.935 1.428 -6.424 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.788 2.519 -4.438 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.735 4.102 -5.431 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -19.036 4.438 -6.556 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.647 6.056 -3.930 1.00 0.00 H new ATOM 460 N GLY A 29 -20.015 2.669 -7.735 1.00 0.00 N ATOM 461 CA GLY A 29 -20.933 2.426 -8.832 1.00 0.00 C ATOM 462 C GLY A 29 -22.133 3.353 -8.796 1.00 0.00 C ATOM 463 O GLY A 29 -23.261 2.911 -8.573 1.00 0.00 O ATOM 0 H GLY A 29 -19.129 3.098 -8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.407 2.554 -9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.275 1.392 -8.794 1.00 0.00 H new ATOM 467 N GLY A 30 -21.889 4.643 -9.010 1.00 0.00 N ATOM 468 CA GLY A 30 -22.966 5.615 -8.994 1.00 0.00 C ATOM 469 C GLY A 30 -22.743 6.749 -9.977 1.00 0.00 C ATOM 470 O GLY A 30 -22.559 6.516 -11.171 1.00 0.00 O ATOM 0 H GLY A 30 -20.964 5.032 -9.194 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -23.905 5.115 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -23.066 6.025 -7.989 1.00 0.00 H new ATOM 474 N ALA A 31 -22.763 7.979 -9.474 1.00 0.00 N ATOM 475 CA ALA A 31 -22.563 9.154 -10.315 1.00 0.00 C ATOM 476 C ALA A 31 -21.091 9.544 -10.374 1.00 0.00 C ATOM 477 O ALA A 31 -20.287 9.096 -9.556 1.00 0.00 O ATOM 478 CB ALA A 31 -23.400 10.318 -9.804 1.00 0.00 C ATOM 0 H ALA A 31 -22.916 8.188 -8.487 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.886 8.905 -11.326 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -23.241 11.188 -10.441 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -24.455 10.043 -9.822 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.105 10.558 -8.782 1.00 0.00 H new ATOM 484 N VAL A 32 -20.744 10.385 -11.343 1.00 0.00 N ATOM 485 CA VAL A 32 -19.367 10.838 -11.505 1.00 0.00 C ATOM 486 C VAL A 32 -18.983 11.849 -10.427 1.00 0.00 C ATOM 487 O VAL A 32 -17.816 12.213 -10.294 1.00 0.00 O ATOM 488 CB VAL A 32 -19.143 11.475 -12.890 1.00 0.00 C ATOM 489 CG1 VAL A 32 -19.140 10.408 -13.974 1.00 0.00 C ATOM 490 CG2 VAL A 32 -20.202 12.529 -13.171 1.00 0.00 C ATOM 0 H VAL A 32 -21.397 10.766 -12.028 1.00 0.00 H new ATOM 0 HA VAL A 32 -18.735 9.955 -11.411 1.00 0.00 H new ATOM 0 HB VAL A 32 -18.169 11.964 -12.892 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.981 10.876 -14.945 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.340 9.694 -13.780 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -20.098 9.888 -13.975 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -20.027 12.968 -14.153 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -21.189 12.067 -13.150 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -20.150 13.309 -12.411 1.00 0.00 H new ATOM 500 N ALA A 33 -19.971 12.298 -9.654 1.00 0.00 N ATOM 501 CA ALA A 33 -19.728 13.262 -8.588 1.00 0.00 C ATOM 502 C ALA A 33 -19.458 12.560 -7.261 1.00 0.00 C ATOM 503 O ALA A 33 -19.681 13.128 -6.192 1.00 0.00 O ATOM 504 CB ALA A 33 -20.914 14.206 -8.454 1.00 0.00 C ATOM 0 H ALA A 33 -20.945 12.009 -9.748 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.841 13.840 -8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -20.721 14.922 -7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -21.061 14.741 -9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -21.811 13.633 -8.219 1.00 0.00 H new ATOM 510 N THR A 34 -18.978 11.321 -7.335 1.00 0.00 N ATOM 511 CA THR A 34 -18.680 10.545 -6.139 1.00 0.00 C ATOM 512 C THR A 34 -17.424 9.703 -6.340 1.00 0.00 C ATOM 513 O THR A 34 -16.418 9.900 -5.659 1.00 0.00 O ATOM 514 CB THR A 34 -19.865 9.644 -5.784 1.00 0.00 C ATOM 515 OG1 THR A 34 -21.029 10.417 -5.550 1.00 0.00 O ATOM 516 CG2 THR A 34 -19.624 8.794 -4.558 1.00 0.00 C ATOM 0 H THR A 34 -18.788 10.835 -8.211 1.00 0.00 H new ATOM 0 HA THR A 34 -18.503 11.238 -5.317 1.00 0.00 H new ATOM 0 HB THR A 34 -19.994 8.985 -6.642 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.776 9.824 -5.326 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.503 8.180 -4.363 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.761 8.150 -4.726 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.434 9.439 -3.700 1.00 0.00 H new ATOM 524 N SER A 35 -17.488 8.765 -7.279 1.00 0.00 N ATOM 525 CA SER A 35 -16.353 7.895 -7.569 1.00 0.00 C ATOM 526 C SER A 35 -15.113 8.717 -7.904 1.00 0.00 C ATOM 527 O SER A 35 -14.046 8.509 -7.328 1.00 0.00 O ATOM 528 CB SER A 35 -16.686 6.955 -8.729 1.00 0.00 C ATOM 529 OG SER A 35 -17.868 6.219 -8.466 1.00 0.00 O ATOM 0 H SER A 35 -18.313 8.587 -7.852 1.00 0.00 H new ATOM 0 HA SER A 35 -16.145 7.301 -6.679 1.00 0.00 H new ATOM 0 HB2 SER A 35 -16.810 7.533 -9.645 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.856 6.269 -8.895 1.00 0.00 H new ATOM 0 HG SER A 35 -18.060 5.627 -9.223 1.00 0.00 H new ATOM 535 N THR A 36 -15.263 9.653 -8.836 1.00 0.00 N ATOM 536 CA THR A 36 -14.156 10.509 -9.243 1.00 0.00 C ATOM 537 C THR A 36 -13.701 11.393 -8.089 1.00 0.00 C ATOM 538 O THR A 36 -12.504 11.569 -7.863 1.00 0.00 O ATOM 539 CB THR A 36 -14.565 11.382 -10.431 1.00 0.00 C ATOM 540 OG1 THR A 36 -15.572 10.744 -11.202 1.00 0.00 O ATOM 541 CG2 THR A 36 -13.410 11.718 -11.354 1.00 0.00 C ATOM 0 H THR A 36 -16.140 9.837 -9.323 1.00 0.00 H new ATOM 0 HA THR A 36 -13.327 9.867 -9.540 1.00 0.00 H new ATOM 0 HB THR A 36 -14.936 12.309 -9.995 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.443 11.146 -11.000 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.769 12.339 -12.175 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.645 12.259 -10.797 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.985 10.798 -11.754 1.00 0.00 H new ATOM 549 N MET A 37 -14.663 11.951 -7.359 1.00 0.00 N ATOM 550 CA MET A 37 -14.355 12.820 -6.229 1.00 0.00 C ATOM 551 C MET A 37 -13.387 12.138 -5.269 1.00 0.00 C ATOM 552 O MET A 37 -12.327 12.681 -4.954 1.00 0.00 O ATOM 553 CB MET A 37 -15.638 13.206 -5.491 1.00 0.00 C ATOM 554 CG MET A 37 -15.536 14.523 -4.741 1.00 0.00 C ATOM 555 SD MET A 37 -15.093 15.904 -5.812 1.00 0.00 S ATOM 556 CE MET A 37 -13.327 16.001 -5.526 1.00 0.00 C ATOM 0 H MET A 37 -15.660 11.817 -7.530 1.00 0.00 H new ATOM 0 HA MET A 37 -13.881 13.723 -6.614 1.00 0.00 H new ATOM 0 HB2 MET A 37 -16.455 13.269 -6.209 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.894 12.415 -4.786 1.00 0.00 H new ATOM 0 HG2 MET A 37 -16.490 14.735 -4.258 1.00 0.00 H new ATOM 0 HG3 MET A 37 -14.792 14.429 -3.950 1.00 0.00 H new ATOM 0 HE1 MET A 37 -13.101 16.896 -4.947 1.00 0.00 H new ATOM 0 HE2 MET A 37 -12.999 15.120 -4.975 1.00 0.00 H new ATOM 0 HE3 MET A 37 -12.806 16.046 -6.482 1.00 0.00 H new ATOM 566 N ALA A 38 -13.749 10.944 -4.818 1.00 0.00 N ATOM 567 CA ALA A 38 -12.901 10.190 -3.906 1.00 0.00 C ATOM 568 C ALA A 38 -11.582 9.830 -4.578 1.00 0.00 C ATOM 569 O ALA A 38 -10.508 10.134 -4.062 1.00 0.00 O ATOM 570 CB ALA A 38 -13.619 8.937 -3.425 1.00 0.00 C ATOM 0 H ALA A 38 -14.621 10.479 -5.068 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.684 10.814 -3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.971 8.385 -2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.535 9.219 -2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.866 8.308 -4.280 1.00 0.00 H new ATOM 576 N ALA A 39 -11.670 9.187 -5.740 1.00 0.00 N ATOM 577 CA ALA A 39 -10.483 8.789 -6.492 1.00 0.00 C ATOM 578 C ALA A 39 -9.471 9.928 -6.582 1.00 0.00 C ATOM 579 O ALA A 39 -8.320 9.783 -6.172 1.00 0.00 O ATOM 580 CB ALA A 39 -10.874 8.315 -7.884 1.00 0.00 C ATOM 0 H ALA A 39 -12.553 8.930 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.009 7.965 -5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.979 8.022 -8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.546 7.461 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.377 9.123 -8.415 1.00 0.00 H new ATOM 586 N GLU A 40 -9.908 11.063 -7.121 1.00 0.00 N ATOM 587 CA GLU A 40 -9.039 12.225 -7.262 1.00 0.00 C ATOM 588 C GLU A 40 -8.510 12.675 -5.905 1.00 0.00 C ATOM 589 O GLU A 40 -7.356 13.083 -5.788 1.00 0.00 O ATOM 590 CB GLU A 40 -9.792 13.375 -7.938 1.00 0.00 C ATOM 591 CG GLU A 40 -8.984 14.661 -8.050 1.00 0.00 C ATOM 592 CD GLU A 40 -9.835 15.903 -7.876 1.00 0.00 C ATOM 593 OE1 GLU A 40 -10.922 15.968 -8.487 1.00 0.00 O ATOM 594 OE2 GLU A 40 -9.415 16.811 -7.127 1.00 0.00 O ATOM 0 H GLU A 40 -10.858 11.202 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.192 11.940 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.095 13.060 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.704 13.578 -7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.196 14.657 -7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.495 14.694 -9.023 1.00 0.00 H new ATOM 601 N GLU A 41 -9.360 12.601 -4.885 1.00 0.00 N ATOM 602 CA GLU A 41 -8.976 13.006 -3.537 1.00 0.00 C ATOM 603 C GLU A 41 -7.895 12.085 -2.975 1.00 0.00 C ATOM 604 O GLU A 41 -6.850 12.550 -2.521 1.00 0.00 O ATOM 605 CB GLU A 41 -10.199 13.013 -2.614 1.00 0.00 C ATOM 606 CG GLU A 41 -10.617 14.406 -2.168 1.00 0.00 C ATOM 607 CD GLU A 41 -12.028 14.443 -1.613 1.00 0.00 C ATOM 608 OE1 GLU A 41 -12.786 13.481 -1.856 1.00 0.00 O ATOM 609 OE2 GLU A 41 -12.376 15.435 -0.938 1.00 0.00 O ATOM 0 H GLU A 41 -10.319 12.264 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.569 14.016 -3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.035 12.539 -3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.983 12.408 -1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.922 14.764 -1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.545 15.091 -3.013 1.00 0.00 H new ATOM 616 N ILE A 42 -8.150 10.781 -3.009 1.00 0.00 N ATOM 617 CA ILE A 42 -7.190 9.807 -2.502 1.00 0.00 C ATOM 618 C ILE A 42 -5.895 9.843 -3.306 1.00 0.00 C ATOM 619 O ILE A 42 -4.812 9.621 -2.765 1.00 0.00 O ATOM 620 CB ILE A 42 -7.755 8.374 -2.543 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.192 8.331 -2.019 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.873 7.436 -1.738 1.00 0.00 C ATOM 623 CD1 ILE A 42 -9.371 8.991 -0.672 1.00 0.00 C ATOM 0 H ILE A 42 -9.009 10.376 -3.380 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.988 10.081 -1.466 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.765 8.046 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.847 8.818 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.512 7.291 -1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.285 6.427 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.867 7.433 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.834 7.773 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.415 8.920 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.744 8.490 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.083 10.040 -0.740 1.00 0.00 H new ATOM 635 N LYS A 43 -6.016 10.118 -4.601 1.00 0.00 N ATOM 636 CA LYS A 43 -4.854 10.176 -5.482 1.00 0.00 C ATOM 637 C LYS A 43 -3.924 11.319 -5.087 1.00 0.00 C ATOM 638 O LYS A 43 -2.751 11.099 -4.784 1.00 0.00 O ATOM 639 CB LYS A 43 -5.299 10.343 -6.936 1.00 0.00 C ATOM 640 CG LYS A 43 -4.382 9.656 -7.936 1.00 0.00 C ATOM 641 CD LYS A 43 -4.416 10.345 -9.291 1.00 0.00 C ATOM 642 CE LYS A 43 -4.983 9.433 -10.369 1.00 0.00 C ATOM 643 NZ LYS A 43 -4.405 8.062 -10.303 1.00 0.00 N ATOM 0 H LYS A 43 -6.906 10.304 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.307 9.238 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.307 9.944 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.349 11.406 -7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.361 9.654 -7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.682 8.614 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.020 11.250 -9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.408 10.654 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.066 9.375 -10.261 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.783 9.864 -11.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.339 7.666 -11.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.456 8.105 -9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.016 7.455 -9.720 1.00 0.00 H new ATOM 657 N GLU A 44 -4.452 12.538 -5.094 1.00 0.00 N ATOM 658 CA GLU A 44 -3.666 13.715 -4.736 1.00 0.00 C ATOM 659 C GLU A 44 -3.000 13.535 -3.376 1.00 0.00 C ATOM 660 O GLU A 44 -1.878 13.992 -3.156 1.00 0.00 O ATOM 661 CB GLU A 44 -4.553 14.961 -4.717 1.00 0.00 C ATOM 662 CG GLU A 44 -5.777 14.822 -3.826 1.00 0.00 C ATOM 663 CD GLU A 44 -6.380 16.160 -3.445 1.00 0.00 C ATOM 664 OE1 GLU A 44 -5.791 17.201 -3.802 1.00 0.00 O ATOM 665 OE2 GLU A 44 -7.442 16.164 -2.788 1.00 0.00 O ATOM 0 H GLU A 44 -5.421 12.738 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.888 13.840 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.962 15.812 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.877 15.182 -5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.529 14.223 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.502 14.281 -2.920 1.00 0.00 H new ATOM 672 N LEU A 45 -3.699 12.866 -2.466 1.00 0.00 N ATOM 673 CA LEU A 45 -3.178 12.625 -1.127 1.00 0.00 C ATOM 674 C LEU A 45 -1.972 11.693 -1.172 1.00 0.00 C ATOM 675 O LEU A 45 -0.928 11.983 -0.587 1.00 0.00 O ATOM 676 CB LEU A 45 -4.269 12.031 -0.234 1.00 0.00 C ATOM 677 CG LEU A 45 -4.877 13.010 0.768 1.00 0.00 C ATOM 678 CD1 LEU A 45 -3.792 13.599 1.655 1.00 0.00 C ATOM 679 CD2 LEU A 45 -5.632 14.113 0.039 1.00 0.00 C ATOM 0 H LEU A 45 -4.629 12.481 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.858 13.580 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.065 11.640 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.852 11.185 0.313 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.583 12.471 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.240 14.295 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.292 12.798 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.065 14.127 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.060 14.803 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.946 14.653 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.431 13.674 -0.558 1.00 0.00 H new ATOM 691 N CYS A 46 -2.124 10.573 -1.870 1.00 0.00 N ATOM 692 CA CYS A 46 -1.048 9.597 -1.991 1.00 0.00 C ATOM 693 C CYS A 46 0.225 10.249 -2.525 1.00 0.00 C ATOM 694 O CYS A 46 1.322 9.979 -2.039 1.00 0.00 O ATOM 695 CB CYS A 46 -1.477 8.454 -2.912 1.00 0.00 C ATOM 696 SG CYS A 46 -2.756 7.386 -2.210 1.00 0.00 S ATOM 0 H CYS A 46 -2.982 10.319 -2.360 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.837 9.198 -0.999 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.842 8.874 -3.849 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.604 7.848 -3.153 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.885 8.030 -2.169 1.00 0.00 H new ATOM 702 N GLN A 47 0.071 11.108 -3.528 1.00 0.00 N ATOM 703 CA GLN A 47 1.208 11.798 -4.129 1.00 0.00 C ATOM 704 C GLN A 47 1.733 12.897 -3.210 1.00 0.00 C ATOM 705 O GLN A 47 2.939 13.015 -2.994 1.00 0.00 O ATOM 706 CB GLN A 47 0.812 12.394 -5.480 1.00 0.00 C ATOM 707 CG GLN A 47 1.998 12.679 -6.387 1.00 0.00 C ATOM 708 CD GLN A 47 1.878 11.997 -7.736 1.00 0.00 C ATOM 709 OE1 GLN A 47 1.585 10.805 -7.820 1.00 0.00 O ATOM 710 NE2 GLN A 47 2.107 12.754 -8.804 1.00 0.00 N ATOM 0 H GLN A 47 -0.831 11.343 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 47 2.003 11.068 -4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.134 11.707 -5.987 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.262 13.320 -5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.087 13.755 -6.535 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.913 12.348 -5.897 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.347 13.739 -8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.042 12.350 -9.739 1.00 0.00 H new ATOM 719 N SER A 48 0.819 13.700 -2.673 1.00 0.00 N ATOM 720 CA SER A 48 1.187 14.793 -1.776 1.00 0.00 C ATOM 721 C SER A 48 2.055 14.292 -0.627 1.00 0.00 C ATOM 722 O SER A 48 3.053 14.918 -0.267 1.00 0.00 O ATOM 723 CB SER A 48 -0.069 15.463 -1.218 1.00 0.00 C ATOM 724 OG SER A 48 -0.643 16.346 -2.166 1.00 0.00 O ATOM 0 H SER A 48 -0.183 13.615 -2.843 1.00 0.00 H new ATOM 0 HA SER A 48 1.761 15.520 -2.351 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.797 14.701 -0.939 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.181 16.012 -0.310 1.00 0.00 H new ATOM 0 HG SER A 48 -1.206 15.838 -2.787 1.00 0.00 H new ATOM 730 N HIS A 49 1.663 13.161 -0.053 1.00 0.00 N ATOM 731 CA HIS A 49 2.395 12.569 1.060 1.00 0.00 C ATOM 732 C HIS A 49 3.524 11.660 0.569 1.00 0.00 C ATOM 733 O HIS A 49 4.358 11.217 1.358 1.00 0.00 O ATOM 734 CB HIS A 49 1.436 11.772 1.940 1.00 0.00 C ATOM 735 CG HIS A 49 0.560 12.619 2.811 1.00 0.00 C ATOM 736 ND1 HIS A 49 -0.795 12.764 2.601 1.00 0.00 N ATOM 737 CD2 HIS A 49 0.847 13.360 3.909 1.00 0.00 C ATOM 738 CE1 HIS A 49 -1.304 13.556 3.527 1.00 0.00 C ATOM 739 NE2 HIS A 49 -0.329 13.930 4.333 1.00 0.00 N ATOM 0 H HIS A 49 0.839 12.634 -0.341 1.00 0.00 H new ATOM 0 HA HIS A 49 2.842 13.378 1.638 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.806 11.151 1.303 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.014 11.097 2.571 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.818 13.480 4.365 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.341 13.847 3.610 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.432 14.544 5.141 1.00 0.00 H new ATOM 748 N ASN A 50 3.546 11.387 -0.735 1.00 0.00 N ATOM 749 CA ASN A 50 4.573 10.534 -1.327 1.00 0.00 C ATOM 750 C ASN A 50 4.419 9.081 -0.878 1.00 0.00 C ATOM 751 O ASN A 50 5.395 8.439 -0.488 1.00 0.00 O ATOM 752 CB ASN A 50 5.973 11.047 -0.966 1.00 0.00 C ATOM 753 CG ASN A 50 6.159 12.516 -1.296 1.00 0.00 C ATOM 754 OD1 ASN A 50 6.212 13.363 -0.405 1.00 0.00 O ATOM 755 ND2 ASN A 50 6.263 12.825 -2.584 1.00 0.00 N ATOM 0 H ASN A 50 2.862 11.745 -1.402 1.00 0.00 H new ATOM 0 HA ASN A 50 4.447 10.571 -2.409 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.149 10.892 0.098 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.720 10.461 -1.501 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.392 13.797 -2.867 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.214 12.091 -3.290 1.00 0.00 H new ATOM 762 N ILE A 51 3.192 8.565 -0.932 1.00 0.00 N ATOM 763 CA ILE A 51 2.924 7.185 -0.531 1.00 0.00 C ATOM 764 C ILE A 51 2.581 6.314 -1.739 1.00 0.00 C ATOM 765 O ILE A 51 1.411 6.183 -2.102 1.00 0.00 O ATOM 766 CB ILE A 51 1.756 7.097 0.470 1.00 0.00 C ATOM 767 CG1 ILE A 51 1.924 8.113 1.601 1.00 0.00 C ATOM 768 CG2 ILE A 51 1.650 5.688 1.032 1.00 0.00 C ATOM 769 CD1 ILE A 51 0.608 8.586 2.180 1.00 0.00 C ATOM 0 H ILE A 51 2.370 9.080 -1.248 1.00 0.00 H new ATOM 0 HA ILE A 51 3.836 6.823 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 51 0.834 7.334 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.523 7.667 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.479 8.974 1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.821 5.639 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.476 4.984 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.577 5.429 1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.799 9.305 2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.016 9.061 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.061 7.734 2.583 1.00 0.00 H new ATOM 781 N PRO A 52 3.591 5.702 -2.378 1.00 0.00 N ATOM 782 CA PRO A 52 3.374 4.840 -3.545 1.00 0.00 C ATOM 783 C PRO A 52 2.296 3.787 -3.301 1.00 0.00 C ATOM 784 O PRO A 52 2.428 2.946 -2.413 1.00 0.00 O ATOM 785 CB PRO A 52 4.732 4.170 -3.751 1.00 0.00 C ATOM 786 CG PRO A 52 5.720 5.114 -3.159 1.00 0.00 C ATOM 787 CD PRO A 52 5.018 5.800 -2.017 1.00 0.00 C ATOM 0 HA PRO A 52 3.027 5.408 -4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.771 3.198 -3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.932 4.001 -4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.604 4.582 -2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.057 5.839 -3.900 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.226 5.309 -1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.336 6.838 -1.916 1.00 0.00 H new ATOM 795 N VAL A 53 1.233 3.841 -4.098 1.00 0.00 N ATOM 796 CA VAL A 53 0.130 2.894 -3.978 1.00 0.00 C ATOM 797 C VAL A 53 -0.691 2.851 -5.261 1.00 0.00 C ATOM 798 O VAL A 53 -0.528 3.698 -6.140 1.00 0.00 O ATOM 799 CB VAL A 53 -0.799 3.253 -2.801 1.00 0.00 C ATOM 800 CG1 VAL A 53 -0.092 3.025 -1.476 1.00 0.00 C ATOM 801 CG2 VAL A 53 -1.282 4.692 -2.917 1.00 0.00 C ATOM 0 H VAL A 53 1.112 4.534 -4.837 1.00 0.00 H new ATOM 0 HA VAL A 53 0.572 1.915 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.671 2.600 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.763 3.284 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.196 1.977 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.799 3.651 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.936 4.925 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.425 5.365 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.831 4.817 -3.850 1.00 0.00 H new ATOM 811 N GLU A 54 -1.577 1.864 -5.367 1.00 0.00 N ATOM 812 CA GLU A 54 -2.420 1.725 -6.550 1.00 0.00 C ATOM 813 C GLU A 54 -3.894 1.734 -6.171 1.00 0.00 C ATOM 814 O GLU A 54 -4.377 0.830 -5.489 1.00 0.00 O ATOM 815 CB GLU A 54 -2.096 0.431 -7.298 1.00 0.00 C ATOM 816 CG GLU A 54 -0.643 0.004 -7.188 1.00 0.00 C ATOM 817 CD GLU A 54 -0.114 -0.596 -8.475 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.468 -1.754 -8.781 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.655 0.092 -9.178 1.00 0.00 O ATOM 0 H GLU A 54 -1.729 1.153 -4.652 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.216 2.575 -7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.729 -0.368 -6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.348 0.558 -8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.034 0.866 -6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.542 -0.724 -6.383 1.00 0.00 H new ATOM 826 N LEU A 55 -4.605 2.766 -6.612 1.00 0.00 N ATOM 827 CA LEU A 55 -6.024 2.901 -6.316 1.00 0.00 C ATOM 828 C LEU A 55 -6.876 2.277 -7.418 1.00 0.00 C ATOM 829 O LEU A 55 -6.935 2.784 -8.537 1.00 0.00 O ATOM 830 CB LEU A 55 -6.376 4.379 -6.158 1.00 0.00 C ATOM 831 CG LEU A 55 -7.669 4.658 -5.398 1.00 0.00 C ATOM 832 CD1 LEU A 55 -7.681 6.090 -4.891 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.876 4.389 -6.284 1.00 0.00 C ATOM 0 H LEU A 55 -4.219 3.522 -7.177 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.235 2.373 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.555 4.879 -5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.451 4.827 -7.149 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.722 3.988 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.609 6.277 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.834 6.247 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.609 6.776 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.790 4.593 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.835 5.035 -7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.870 3.346 -6.601 1.00 0.00 H new ATOM 845 N ILE A 56 -7.535 1.173 -7.089 1.00 0.00 N ATOM 846 CA ILE A 56 -8.389 0.469 -8.038 1.00 0.00 C ATOM 847 C ILE A 56 -9.858 0.646 -7.678 1.00 0.00 C ATOM 848 O ILE A 56 -10.200 0.816 -6.508 1.00 0.00 O ATOM 849 CB ILE A 56 -8.041 -1.032 -8.100 1.00 0.00 C ATOM 850 CG1 ILE A 56 -8.823 -1.732 -9.211 1.00 0.00 C ATOM 851 CG2 ILE A 56 -8.298 -1.701 -6.766 1.00 0.00 C ATOM 852 CD1 ILE A 56 -8.024 -2.808 -9.916 1.00 0.00 C ATOM 0 H ILE A 56 -7.494 0.743 -6.165 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.211 0.904 -9.022 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.978 -1.118 -8.327 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.724 -2.176 -8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.146 -0.991 -9.942 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.045 -2.759 -6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.684 -1.230 -5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.351 -1.596 -6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.636 -3.266 -10.693 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.136 -2.365 -10.367 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.724 -3.569 -9.196 1.00 0.00 H new ATOM 864 N GLN A 57 -10.724 0.608 -8.684 1.00 0.00 N ATOM 865 CA GLN A 57 -12.157 0.762 -8.468 1.00 0.00 C ATOM 866 C GLN A 57 -12.891 -0.520 -8.853 1.00 0.00 C ATOM 867 O GLN A 57 -12.455 -1.244 -9.746 1.00 0.00 O ATOM 868 CB GLN A 57 -12.686 1.938 -9.293 1.00 0.00 C ATOM 869 CG GLN A 57 -12.160 1.967 -10.720 1.00 0.00 C ATOM 870 CD GLN A 57 -13.265 2.094 -11.750 1.00 0.00 C ATOM 871 OE1 GLN A 57 -13.531 3.180 -12.263 1.00 0.00 O ATOM 872 NE2 GLN A 57 -13.915 0.978 -12.061 1.00 0.00 N ATOM 0 H GLN A 57 -10.458 0.472 -9.659 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.334 0.961 -7.411 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -13.775 1.893 -9.317 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.416 2.870 -8.796 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.468 2.802 -10.831 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.593 1.056 -10.912 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.662 0.098 -11.611 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.667 1.001 -12.750 1.00 0.00 H new ATOM 881 N CYS A 58 -13.998 -0.804 -8.173 1.00 0.00 N ATOM 882 CA CYS A 58 -14.773 -2.011 -8.449 1.00 0.00 C ATOM 883 C CYS A 58 -16.201 -1.865 -7.927 1.00 0.00 C ATOM 884 O CYS A 58 -16.499 -0.942 -7.175 1.00 0.00 O ATOM 885 CB CYS A 58 -14.103 -3.226 -7.809 1.00 0.00 C ATOM 886 SG CYS A 58 -13.006 -4.134 -8.923 1.00 0.00 S ATOM 0 H CYS A 58 -14.378 -0.218 -7.430 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.812 -2.155 -9.529 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.531 -2.897 -6.941 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.875 -3.903 -7.444 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.383 -3.296 -9.697 1.00 0.00 H new ATOM 892 N ARG A 59 -17.087 -2.775 -8.323 1.00 0.00 N ATOM 893 CA ARG A 59 -18.478 -2.728 -7.877 1.00 0.00 C ATOM 894 C ARG A 59 -18.619 -3.326 -6.479 1.00 0.00 C ATOM 895 O ARG A 59 -17.629 -3.530 -5.782 1.00 0.00 O ATOM 896 CB ARG A 59 -19.376 -3.485 -8.859 1.00 0.00 C ATOM 897 CG ARG A 59 -19.470 -2.833 -10.228 1.00 0.00 C ATOM 898 CD ARG A 59 -18.745 -3.650 -11.284 1.00 0.00 C ATOM 899 NE ARG A 59 -18.832 -3.036 -12.608 1.00 0.00 N ATOM 900 CZ ARG A 59 -19.689 -3.420 -13.554 1.00 0.00 C ATOM 901 NH1 ARG A 59 -20.545 -4.409 -13.327 1.00 0.00 N ATOM 902 NH2 ARG A 59 -19.694 -2.809 -14.730 1.00 0.00 N ATOM 0 H ARG A 59 -16.869 -3.550 -8.949 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.788 -1.684 -7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.997 -4.500 -8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.377 -3.565 -8.435 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.517 -2.722 -10.508 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.043 -1.831 -10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.697 -3.758 -11.003 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.170 -4.653 -11.321 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.198 -2.266 -12.821 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -20.550 -4.881 -12.423 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -21.197 -4.696 -14.057 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.042 -2.045 -14.911 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -20.349 -3.102 -15.454 1.00 0.00 H new ATOM 916 N VAL A 60 -19.855 -3.609 -6.078 1.00 0.00 N ATOM 917 CA VAL A 60 -20.122 -4.184 -4.764 1.00 0.00 C ATOM 918 C VAL A 60 -19.766 -5.670 -4.715 1.00 0.00 C ATOM 919 O VAL A 60 -19.744 -6.273 -3.641 1.00 0.00 O ATOM 920 CB VAL A 60 -21.601 -4.012 -4.361 1.00 0.00 C ATOM 921 CG1 VAL A 60 -21.782 -4.301 -2.879 1.00 0.00 C ATOM 922 CG2 VAL A 60 -22.097 -2.612 -4.703 1.00 0.00 C ATOM 0 H VAL A 60 -20.688 -3.449 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 60 -19.492 -3.642 -4.059 1.00 0.00 H new ATOM 0 HB VAL A 60 -22.197 -4.727 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -22.831 -4.176 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -21.473 -5.325 -2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -21.172 -3.610 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.142 -2.515 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -21.500 -1.874 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.004 -2.445 -5.776 1.00 0.00 H new ATOM 932 N ASN A 61 -19.488 -6.259 -5.875 1.00 0.00 N ATOM 933 CA ASN A 61 -19.136 -7.673 -5.944 1.00 0.00 C ATOM 934 C ASN A 61 -18.000 -7.906 -6.936 1.00 0.00 C ATOM 935 O ASN A 61 -18.184 -8.544 -7.972 1.00 0.00 O ATOM 936 CB ASN A 61 -20.356 -8.506 -6.340 1.00 0.00 C ATOM 937 CG ASN A 61 -21.512 -8.332 -5.375 1.00 0.00 C ATOM 938 OD1 ASN A 61 -22.537 -7.740 -5.715 1.00 0.00 O ATOM 939 ND2 ASN A 61 -21.350 -8.846 -4.161 1.00 0.00 N ATOM 0 H ASN A 61 -19.500 -5.781 -6.776 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.798 -7.985 -4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -20.677 -8.222 -7.342 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.076 -9.559 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -22.092 -8.758 -3.467 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -20.483 -9.329 -3.923 1.00 0.00 H new ATOM 946 N GLU A 62 -16.824 -7.383 -6.609 1.00 0.00 N ATOM 947 CA GLU A 62 -15.656 -7.532 -7.470 1.00 0.00 C ATOM 948 C GLU A 62 -14.362 -7.491 -6.656 1.00 0.00 C ATOM 949 O GLU A 62 -13.411 -8.212 -6.951 1.00 0.00 O ATOM 950 CB GLU A 62 -15.641 -6.430 -8.530 1.00 0.00 C ATOM 951 CG GLU A 62 -15.111 -6.886 -9.882 1.00 0.00 C ATOM 952 CD GLU A 62 -16.159 -6.823 -10.978 1.00 0.00 C ATOM 953 OE1 GLU A 62 -17.186 -6.139 -10.782 1.00 0.00 O ATOM 954 OE2 GLU A 62 -15.953 -7.458 -12.034 1.00 0.00 O ATOM 0 H GLU A 62 -16.654 -6.852 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.719 -8.503 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.654 -6.047 -8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.030 -5.602 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.261 -6.264 -10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.743 -7.908 -9.796 1.00 0.00 H new ATOM 961 N ILE A 63 -14.333 -6.648 -5.630 1.00 0.00 N ATOM 962 CA ILE A 63 -13.153 -6.521 -4.776 1.00 0.00 C ATOM 963 C ILE A 63 -12.755 -7.868 -4.181 1.00 0.00 C ATOM 964 O ILE A 63 -11.573 -8.206 -4.112 1.00 0.00 O ATOM 965 CB ILE A 63 -13.385 -5.525 -3.621 1.00 0.00 C ATOM 966 CG1 ILE A 63 -14.210 -4.326 -4.091 1.00 0.00 C ATOM 967 CG2 ILE A 63 -12.056 -5.065 -3.040 1.00 0.00 C ATOM 968 CD1 ILE A 63 -15.666 -4.405 -3.693 1.00 0.00 C ATOM 0 H ILE A 63 -15.111 -6.042 -5.368 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.352 -6.148 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.947 -6.036 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.778 -3.414 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.141 -4.250 -5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -12.238 -4.363 -2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.507 -5.927 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.469 -4.575 -3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.192 -3.523 -4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.114 -5.299 -4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.744 -4.450 -2.607 1.00 0.00 H new ATOM 980 N GLU A 64 -13.752 -8.630 -3.752 1.00 0.00 N ATOM 981 CA GLU A 64 -13.518 -9.941 -3.159 1.00 0.00 C ATOM 982 C GLU A 64 -12.764 -10.853 -4.124 1.00 0.00 C ATOM 983 O GLU A 64 -11.862 -11.587 -3.722 1.00 0.00 O ATOM 984 CB GLU A 64 -14.847 -10.587 -2.761 1.00 0.00 C ATOM 985 CG GLU A 64 -14.690 -11.954 -2.117 1.00 0.00 C ATOM 986 CD GLU A 64 -15.988 -12.738 -2.092 1.00 0.00 C ATOM 987 OE1 GLU A 64 -16.856 -12.423 -1.252 1.00 0.00 O ATOM 988 OE2 GLU A 64 -16.135 -13.667 -2.913 1.00 0.00 O ATOM 0 H GLU A 64 -14.735 -8.362 -3.804 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.906 -9.804 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.370 -9.927 -2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.475 -10.682 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.936 -12.523 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.324 -11.832 -1.098 1.00 0.00 H new ATOM 995 N THR A 65 -13.141 -10.800 -5.398 1.00 0.00 N ATOM 996 CA THR A 65 -12.501 -11.622 -6.419 1.00 0.00 C ATOM 997 C THR A 65 -11.135 -11.058 -6.794 1.00 0.00 C ATOM 998 O THR A 65 -10.188 -11.805 -7.042 1.00 0.00 O ATOM 999 CB THR A 65 -13.387 -11.712 -7.661 1.00 0.00 C ATOM 1000 OG1 THR A 65 -14.739 -11.927 -7.295 1.00 0.00 O ATOM 1001 CG2 THR A 65 -12.984 -12.826 -8.602 1.00 0.00 C ATOM 0 H THR A 65 -13.886 -10.197 -5.747 1.00 0.00 H new ATOM 0 HA THR A 65 -12.361 -12.622 -6.009 1.00 0.00 H new ATOM 0 HB THR A 65 -13.263 -10.760 -8.177 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.292 -11.980 -8.102 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.653 -12.835 -9.463 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.960 -12.665 -8.940 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.048 -13.782 -8.083 1.00 0.00 H new ATOM 1009 N TYR A 66 -11.038 -9.733 -6.825 1.00 0.00 N ATOM 1010 CA TYR A 66 -9.785 -9.065 -7.161 1.00 0.00 C ATOM 1011 C TYR A 66 -8.924 -8.853 -5.918 1.00 0.00 C ATOM 1012 O TYR A 66 -7.941 -8.114 -5.956 1.00 0.00 O ATOM 1013 CB TYR A 66 -10.061 -7.721 -7.837 1.00 0.00 C ATOM 1014 CG TYR A 66 -10.598 -7.850 -9.244 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -11.828 -8.449 -9.486 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -9.879 -7.372 -10.333 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -12.325 -8.569 -10.768 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -10.370 -7.488 -11.619 1.00 0.00 C ATOM 1019 CZ TYR A 66 -11.593 -8.087 -11.831 1.00 0.00 C ATOM 1020 OH TYR A 66 -12.086 -8.207 -13.110 1.00 0.00 O ATOM 0 H TYR A 66 -11.812 -9.100 -6.622 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.240 -9.707 -7.852 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.776 -7.161 -7.234 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.139 -7.140 -7.861 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -12.406 -8.828 -8.656 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.920 -6.902 -10.171 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -13.283 -9.038 -10.937 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.798 -7.111 -12.454 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.449 -7.816 -13.744 1.00 0.00 H new ATOM 1030 N MET A 67 -9.292 -9.506 -4.817 1.00 0.00 N ATOM 1031 CA MET A 67 -8.543 -9.388 -3.571 1.00 0.00 C ATOM 1032 C MET A 67 -7.244 -10.192 -3.622 1.00 0.00 C ATOM 1033 O MET A 67 -6.927 -10.936 -2.693 1.00 0.00 O ATOM 1034 CB MET A 67 -9.407 -9.847 -2.395 1.00 0.00 C ATOM 1035 CG MET A 67 -9.497 -8.824 -1.276 1.00 0.00 C ATOM 1036 SD MET A 67 -7.911 -8.532 -0.472 1.00 0.00 S ATOM 1037 CE MET A 67 -8.452 -7.857 1.095 1.00 0.00 C ATOM 0 H MET A 67 -10.104 -10.121 -4.764 1.00 0.00 H new ATOM 0 HA MET A 67 -8.279 -8.339 -3.434 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.411 -10.068 -2.756 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.000 -10.776 -1.996 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.874 -7.884 -1.678 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.219 -9.166 -0.534 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.596 -7.445 1.629 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.184 -7.069 0.918 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.907 -8.646 1.694 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.494 -10.046 -4.711 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.237 -10.764 -4.880 1.00 0.00 C ATOM 1049 C ASP A 68 -4.128 -10.129 -4.048 1.00 0.00 C ATOM 1050 O ASP A 68 -3.336 -10.827 -3.415 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.838 -10.781 -6.356 1.00 0.00 C ATOM 1052 CG ASP A 68 -5.609 -11.815 -7.151 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -6.733 -11.503 -7.598 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -5.089 -12.937 -7.327 1.00 0.00 O ATOM 0 H ASP A 68 -6.737 -9.435 -5.491 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.380 -11.788 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.008 -9.794 -6.787 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.770 -10.985 -6.439 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.076 -8.801 -4.058 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.057 -8.093 -3.305 1.00 0.00 C ATOM 1061 C GLY A 69 -3.506 -6.711 -2.875 1.00 0.00 C ATOM 1062 O GLY A 69 -2.938 -5.707 -3.302 1.00 0.00 O ATOM 0 H GLY A 69 -4.721 -8.203 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.792 -8.676 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.156 -8.006 -3.912 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.529 -6.659 -2.029 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.054 -5.391 -1.543 1.00 0.00 C ATOM 1068 C VAL A 70 -4.599 -5.115 -0.116 1.00 0.00 C ATOM 1069 O VAL A 70 -4.731 -5.966 0.764 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.590 -5.374 -1.578 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.119 -3.994 -1.230 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.102 -5.832 -2.936 1.00 0.00 C ATOM 0 H VAL A 70 -5.011 -7.482 -1.666 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.666 -4.617 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.959 -6.073 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.209 -4.004 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.786 -3.719 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.742 -3.268 -1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.192 -5.813 -2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.725 -5.165 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.757 -6.847 -3.132 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.073 -3.919 0.110 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.613 -3.529 1.435 1.00 0.00 C ATOM 1084 C HIS A 71 -4.698 -2.753 2.177 1.00 0.00 C ATOM 1085 O HIS A 71 -4.675 -2.659 3.405 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.338 -2.694 1.334 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.104 -3.520 1.147 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -0.725 -4.048 -0.069 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -0.162 -3.917 2.035 1.00 0.00 C ATOM 1090 CE1 HIS A 71 0.394 -4.732 0.077 1.00 0.00 C ATOM 1091 NE2 HIS A 71 0.758 -4.668 1.345 1.00 0.00 N ATOM 0 H HIS A 71 -3.954 -3.203 -0.607 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.392 -4.435 1.999 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.432 -1.999 0.499 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.232 -2.094 2.238 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.138 -3.686 3.090 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.922 -5.255 -0.707 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.587 -5.105 1.747 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.647 -2.196 1.427 1.00 0.00 N ATOM 1101 CA LEU A 72 -6.738 -1.428 2.020 1.00 0.00 C ATOM 1102 C LEU A 72 -7.957 -1.403 1.099 1.00 0.00 C ATOM 1103 O LEU A 72 -7.822 -1.358 -0.119 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.276 0.003 2.302 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.777 0.258 3.724 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -4.655 1.285 3.719 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -6.922 0.723 4.610 1.00 0.00 C ATOM 0 H LEU A 72 -5.682 -2.262 0.410 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.023 -1.911 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.478 0.254 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.104 0.682 2.097 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.385 -0.676 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.312 1.454 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.827 0.916 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.021 2.222 3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.552 0.901 5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.340 1.646 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.696 -0.044 4.637 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.149 -1.432 1.684 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.378 -1.408 0.896 1.00 0.00 C ATOM 1121 C ILE A 73 -11.311 -0.297 1.365 1.00 0.00 C ATOM 1122 O ILE A 73 -11.460 -0.061 2.560 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.137 -2.750 0.963 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -10.363 -3.773 1.798 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -11.409 -3.288 -0.434 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -9.093 -4.272 1.143 1.00 0.00 C ATOM 0 H ILE A 73 -9.292 -1.472 2.693 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.075 -1.226 -0.135 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.096 -2.572 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.111 -3.325 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.012 -4.624 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.945 -4.234 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.013 -2.570 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.464 -3.445 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.604 -4.993 1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -9.337 -4.751 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.422 -3.432 0.963 1.00 0.00 H new ATOM 1138 N CYS A 74 -11.945 0.380 0.415 1.00 0.00 N ATOM 1139 CA CYS A 74 -12.871 1.457 0.741 1.00 0.00 C ATOM 1140 C CYS A 74 -14.216 1.245 0.053 1.00 0.00 C ATOM 1141 O CYS A 74 -14.340 1.436 -1.156 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.281 2.809 0.344 1.00 0.00 C ATOM 1143 SG CYS A 74 -12.631 4.139 1.518 1.00 0.00 S ATOM 0 H CYS A 74 -11.835 0.203 -0.584 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.032 1.449 1.819 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -11.201 2.706 0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.670 3.090 -0.634 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.089 5.243 1.097 1.00 0.00 H new ATOM 1149 N THR A 75 -15.220 0.850 0.830 1.00 0.00 N ATOM 1150 CA THR A 75 -16.557 0.614 0.292 1.00 0.00 C ATOM 1151 C THR A 75 -17.622 1.259 1.173 1.00 0.00 C ATOM 1152 O THR A 75 -17.475 1.329 2.393 1.00 0.00 O ATOM 1153 CB THR A 75 -16.828 -0.886 0.169 1.00 0.00 C ATOM 1154 OG1 THR A 75 -16.578 -1.543 1.398 1.00 0.00 O ATOM 1155 CG2 THR A 75 -15.989 -1.562 -0.893 1.00 0.00 C ATOM 0 H THR A 75 -15.134 0.687 1.833 1.00 0.00 H new ATOM 0 HA THR A 75 -16.603 1.067 -0.698 1.00 0.00 H new ATOM 0 HB THR A 75 -17.877 -0.967 -0.116 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.759 -2.501 1.299 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.232 -2.624 -0.927 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.198 -1.111 -1.863 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.932 -1.439 -0.655 1.00 0.00 H new ATOM 1163 N THR A 76 -18.696 1.725 0.544 1.00 0.00 N ATOM 1164 CA THR A 76 -19.792 2.364 1.265 1.00 0.00 C ATOM 1165 C THR A 76 -21.124 1.705 0.919 1.00 0.00 C ATOM 1166 O THR A 76 -22.101 2.384 0.598 1.00 0.00 O ATOM 1167 CB THR A 76 -19.843 3.859 0.934 1.00 0.00 C ATOM 1168 OG1 THR A 76 -20.916 4.497 1.609 1.00 0.00 O ATOM 1169 CG2 THR A 76 -20.004 4.138 -0.544 1.00 0.00 C ATOM 0 H THR A 76 -18.831 1.672 -0.466 1.00 0.00 H new ATOM 0 HA THR A 76 -19.615 2.243 2.334 1.00 0.00 H new ATOM 0 HB THR A 76 -18.883 4.255 1.264 1.00 0.00 H new ATOM 0 HG1 THR A 76 -21.744 3.998 1.452 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.033 5.215 -0.710 1.00 0.00 H new ATOM 0 HG22 THR A 76 -19.163 3.709 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 76 -20.932 3.691 -0.900 1.00 0.00 H new ATOM 1177 N ALA A 77 -21.157 0.377 0.981 1.00 0.00 N ATOM 1178 CA ALA A 77 -22.368 -0.374 0.671 1.00 0.00 C ATOM 1179 C ALA A 77 -22.974 -1.014 1.919 1.00 0.00 C ATOM 1180 O ALA A 77 -23.998 -1.693 1.836 1.00 0.00 O ATOM 1181 CB ALA A 77 -22.071 -1.437 -0.375 1.00 0.00 C ATOM 0 H ALA A 77 -20.358 -0.201 1.243 1.00 0.00 H new ATOM 0 HA ALA A 77 -23.101 0.328 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -22.982 -1.992 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -21.704 -0.960 -1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -21.314 -2.122 0.007 1.00 0.00 H new ATOM 1187 N ARG A 78 -22.337 -0.799 3.072 1.00 0.00 N ATOM 1188 CA ARG A 78 -22.810 -1.355 4.342 1.00 0.00 C ATOM 1189 C ARG A 78 -22.481 -2.841 4.453 1.00 0.00 C ATOM 1190 O ARG A 78 -23.374 -3.683 4.549 1.00 0.00 O ATOM 1191 CB ARG A 78 -24.315 -1.108 4.524 1.00 0.00 C ATOM 1192 CG ARG A 78 -24.622 0.061 5.450 1.00 0.00 C ATOM 1193 CD ARG A 78 -25.802 -0.234 6.362 1.00 0.00 C ATOM 1194 NE ARG A 78 -25.430 -0.177 7.775 1.00 0.00 N ATOM 1195 CZ ARG A 78 -24.570 -1.016 8.351 1.00 0.00 C ATOM 1196 NH1 ARG A 78 -23.990 -1.974 7.641 1.00 0.00 N ATOM 1197 NH2 ARG A 78 -24.290 -0.902 9.640 1.00 0.00 N ATOM 0 H ARG A 78 -21.487 -0.240 3.152 1.00 0.00 H new ATOM 0 HA ARG A 78 -22.285 -0.839 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -24.766 -0.920 3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -24.779 -2.010 4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -23.743 0.286 6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -24.836 0.949 4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -26.599 0.484 6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -26.200 -1.222 6.132 1.00 0.00 H new ATOM 0 HE ARG A 78 -25.854 0.548 8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -24.201 -2.072 6.648 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -23.333 -2.613 8.088 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -24.733 -0.170 10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -23.631 -1.546 10.078 1.00 0.00 H new ATOM 1211 N VAL A 79 -21.184 -3.154 4.442 1.00 0.00 N ATOM 1212 CA VAL A 79 -20.718 -4.534 4.543 1.00 0.00 C ATOM 1213 C VAL A 79 -20.647 -4.986 6.001 1.00 0.00 C ATOM 1214 O VAL A 79 -21.061 -4.258 6.905 1.00 0.00 O ATOM 1215 CB VAL A 79 -19.329 -4.706 3.895 1.00 0.00 C ATOM 1216 CG1 VAL A 79 -19.418 -4.541 2.385 1.00 0.00 C ATOM 1217 CG2 VAL A 79 -18.333 -3.719 4.490 1.00 0.00 C ATOM 0 H VAL A 79 -20.436 -2.465 4.364 1.00 0.00 H new ATOM 0 HA VAL A 79 -21.440 -5.152 4.009 1.00 0.00 H new ATOM 0 HB VAL A 79 -18.974 -5.715 4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -18.428 -4.666 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -20.093 -5.292 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -19.796 -3.546 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -17.359 -3.856 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -18.680 -2.701 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -18.246 -3.892 5.563 1.00 0.00 H new ATOM 1227 N ASP A 80 -20.126 -6.190 6.224 1.00 0.00 N ATOM 1228 CA ASP A 80 -20.010 -6.736 7.573 1.00 0.00 C ATOM 1229 C ASP A 80 -18.603 -6.552 8.134 1.00 0.00 C ATOM 1230 O ASP A 80 -18.408 -6.566 9.348 1.00 0.00 O ATOM 1231 CB ASP A 80 -20.376 -8.221 7.575 1.00 0.00 C ATOM 1232 CG ASP A 80 -21.808 -8.462 7.142 1.00 0.00 C ATOM 1233 OD1 ASP A 80 -22.075 -8.413 5.922 1.00 0.00 O ATOM 1234 OD2 ASP A 80 -22.661 -8.701 8.021 1.00 0.00 O ATOM 0 H ASP A 80 -19.778 -6.805 5.489 1.00 0.00 H new ATOM 0 HA ASP A 80 -20.704 -6.188 8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.702 -8.760 6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.228 -8.628 8.575 1.00 0.00 H new ATOM 1239 N ARG A 81 -17.626 -6.384 7.244 1.00 0.00 N ATOM 1240 CA ARG A 81 -16.234 -6.199 7.650 1.00 0.00 C ATOM 1241 C ARG A 81 -15.839 -7.172 8.760 1.00 0.00 C ATOM 1242 O ARG A 81 -15.137 -6.803 9.703 1.00 0.00 O ATOM 1243 CB ARG A 81 -16.002 -4.758 8.109 1.00 0.00 C ATOM 1244 CG ARG A 81 -16.851 -4.344 9.293 1.00 0.00 C ATOM 1245 CD ARG A 81 -16.262 -3.142 10.013 1.00 0.00 C ATOM 1246 NE ARG A 81 -15.863 -3.473 11.379 1.00 0.00 N ATOM 1247 CZ ARG A 81 -16.668 -4.051 12.269 1.00 0.00 C ATOM 1248 NH1 ARG A 81 -17.937 -4.307 11.967 1.00 0.00 N ATOM 1249 NH2 ARG A 81 -16.211 -4.359 13.473 1.00 0.00 N ATOM 0 H ARG A 81 -17.774 -6.372 6.235 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.606 -6.406 6.783 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.950 -4.635 8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.206 -4.085 7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.859 -4.107 8.953 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.937 -5.179 9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.397 -2.774 9.460 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.994 -2.335 10.033 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.911 -3.248 11.668 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.302 -4.061 11.047 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.546 -4.750 12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.243 -4.154 13.719 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.827 -4.802 14.155 1.00 0.00 H new ATOM 1263 N SER A 82 -16.293 -8.415 8.641 1.00 0.00 N ATOM 1264 CA SER A 82 -15.986 -9.440 9.633 1.00 0.00 C ATOM 1265 C SER A 82 -15.478 -10.721 8.967 1.00 0.00 C ATOM 1266 O SER A 82 -15.263 -11.731 9.636 1.00 0.00 O ATOM 1267 CB SER A 82 -17.224 -9.752 10.474 1.00 0.00 C ATOM 1268 OG SER A 82 -17.559 -8.663 11.315 1.00 0.00 O ATOM 0 H SER A 82 -16.875 -8.737 7.868 1.00 0.00 H new ATOM 0 HA SER A 82 -15.198 -9.053 10.279 1.00 0.00 H new ATOM 0 HB2 SER A 82 -18.064 -9.981 9.818 1.00 0.00 H new ATOM 0 HB3 SER A 82 -17.041 -10.640 11.079 1.00 0.00 H new ATOM 0 HG SER A 82 -17.854 -7.906 10.768 1.00 0.00 H new ATOM 1274 N PHE A 83 -15.289 -10.674 7.650 1.00 0.00 N ATOM 1275 CA PHE A 83 -14.809 -11.834 6.908 1.00 0.00 C ATOM 1276 C PHE A 83 -13.299 -11.768 6.705 1.00 0.00 C ATOM 1277 O PHE A 83 -12.792 -10.887 6.012 1.00 0.00 O ATOM 1278 CB PHE A 83 -15.523 -11.942 5.554 1.00 0.00 C ATOM 1279 CG PHE A 83 -15.377 -10.726 4.679 1.00 0.00 C ATOM 1280 CD1 PHE A 83 -16.129 -9.585 4.917 1.00 0.00 C ATOM 1281 CD2 PHE A 83 -14.492 -10.728 3.612 1.00 0.00 C ATOM 1282 CE1 PHE A 83 -16.000 -8.471 4.111 1.00 0.00 C ATOM 1283 CE2 PHE A 83 -14.360 -9.615 2.801 1.00 0.00 C ATOM 1284 CZ PHE A 83 -15.115 -8.486 3.051 1.00 0.00 C ATOM 0 H PHE A 83 -15.461 -9.847 7.078 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.036 -12.724 7.495 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -15.134 -12.809 5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -16.583 -12.124 5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -16.824 -9.568 5.743 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.899 -11.608 3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.591 -7.589 4.309 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.667 -9.629 1.973 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.013 -7.616 2.419 1.00 0.00 H new ATOM 1294 N GLY A 84 -12.587 -12.707 7.322 1.00 0.00 N ATOM 1295 CA GLY A 84 -11.141 -12.742 7.205 1.00 0.00 C ATOM 1296 C GLY A 84 -10.477 -11.588 7.931 1.00 0.00 C ATOM 1297 O GLY A 84 -10.622 -11.444 9.145 1.00 0.00 O ATOM 0 H GLY A 84 -12.987 -13.445 7.902 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.769 -13.684 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.863 -12.714 6.151 1.00 0.00 H new ATOM 1301 N ASP A 85 -9.753 -10.760 7.186 1.00 0.00 N ATOM 1302 CA ASP A 85 -9.073 -9.608 7.764 1.00 0.00 C ATOM 1303 C ASP A 85 -9.025 -8.457 6.767 1.00 0.00 C ATOM 1304 O ASP A 85 -8.194 -7.560 6.884 1.00 0.00 O ATOM 1305 CB ASP A 85 -7.653 -9.988 8.192 1.00 0.00 C ATOM 1306 CG ASP A 85 -6.761 -10.325 7.011 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -7.267 -10.917 6.035 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -5.558 -9.996 7.064 1.00 0.00 O ATOM 0 H ASP A 85 -9.622 -10.866 6.180 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.633 -9.286 8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.213 -9.163 8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.697 -10.843 8.866 1.00 0.00 H new ATOM 1313 N ILE A 86 -9.926 -8.491 5.789 1.00 0.00 N ATOM 1314 CA ILE A 86 -9.997 -7.458 4.766 1.00 0.00 C ATOM 1315 C ILE A 86 -10.047 -6.058 5.384 1.00 0.00 C ATOM 1316 O ILE A 86 -11.092 -5.620 5.862 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.236 -7.659 3.873 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.261 -6.627 2.752 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -12.507 -7.565 4.704 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -12.020 -7.077 1.523 1.00 0.00 C ATOM 0 H ILE A 86 -10.621 -9.230 5.685 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.094 -7.543 4.162 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.182 -8.652 3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.709 -5.707 3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.236 -6.389 2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.374 -7.709 4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.496 -8.336 5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.563 -6.583 5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.993 -6.289 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.559 -7.979 1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.055 -7.287 1.791 1.00 0.00 H new ATOM 1332 N PRO A 87 -8.916 -5.332 5.384 1.00 0.00 N ATOM 1333 CA PRO A 87 -8.852 -3.978 5.945 1.00 0.00 C ATOM 1334 C PRO A 87 -9.650 -2.971 5.122 1.00 0.00 C ATOM 1335 O PRO A 87 -9.079 -2.112 4.450 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.360 -3.641 5.893 1.00 0.00 C ATOM 1337 CG PRO A 87 -6.823 -4.487 4.791 1.00 0.00 C ATOM 1338 CD PRO A 87 -7.614 -5.764 4.838 1.00 0.00 C ATOM 0 HA PRO A 87 -9.280 -3.933 6.947 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.199 -2.581 5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.869 -3.865 6.840 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.935 -3.992 3.827 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.759 -4.680 4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.720 -6.209 3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.138 -6.510 5.474 1.00 0.00 H new ATOM 1346 N LEU A 88 -10.974 -3.082 5.173 1.00 0.00 N ATOM 1347 CA LEU A 88 -11.840 -2.178 4.426 1.00 0.00 C ATOM 1348 C LEU A 88 -12.377 -1.066 5.323 1.00 0.00 C ATOM 1349 O LEU A 88 -12.427 -1.210 6.544 1.00 0.00 O ATOM 1350 CB LEU A 88 -12.999 -2.949 3.792 1.00 0.00 C ATOM 1351 CG LEU A 88 -13.578 -4.065 4.654 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -13.979 -3.534 6.015 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.765 -4.715 3.960 1.00 0.00 C ATOM 0 H LEU A 88 -11.468 -3.786 5.721 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.245 -1.722 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.796 -2.245 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.658 -3.378 2.850 1.00 0.00 H new ATOM 0 HG LEU A 88 -12.808 -4.823 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.390 -4.346 6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -13.104 -3.119 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.732 -2.755 5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.165 -5.509 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.538 -3.967 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.444 -5.135 3.007 1.00 0.00 H new ATOM 1365 N VAL A 89 -12.777 0.046 4.710 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.308 1.183 5.456 1.00 0.00 C ATOM 1367 C VAL A 89 -14.468 1.841 4.717 1.00 0.00 C ATOM 1368 O VAL A 89 -14.579 1.743 3.495 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.222 2.242 5.724 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -11.307 1.793 6.854 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.424 2.530 4.458 1.00 0.00 C ATOM 0 H VAL A 89 -12.743 0.183 3.700 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.665 0.789 6.408 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.711 3.167 6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.546 2.553 7.030 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.893 1.650 7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.826 0.854 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.663 3.281 4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.944 1.614 4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.094 2.902 3.683 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.335 2.506 5.472 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.495 3.179 4.903 1.00 0.00 C ATOM 1383 C HIS A 90 -16.211 4.654 4.645 1.00 0.00 C ATOM 1384 O HIS A 90 -15.383 5.265 5.319 1.00 0.00 O ATOM 1385 CB HIS A 90 -17.693 3.032 5.835 1.00 0.00 C ATOM 1386 CG HIS A 90 -18.431 1.752 5.637 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -19.789 1.696 5.440 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -17.993 0.471 5.595 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -20.159 0.444 5.286 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -19.088 -0.324 5.374 1.00 0.00 N ATOM 0 H HIS A 90 -15.255 2.593 6.485 1.00 0.00 H new ATOM 0 HA HIS A 90 -16.721 2.708 3.946 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.352 3.092 6.869 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.375 3.867 5.675 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -20.414 2.502 5.417 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.972 0.138 5.713 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -21.169 0.101 5.116 1.00 0.00 H new ATOM 1399 N GLY A 91 -16.908 5.220 3.665 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.723 6.619 3.332 1.00 0.00 C ATOM 1401 C GLY A 91 -18.003 7.422 3.465 1.00 0.00 C ATOM 1402 O GLY A 91 -18.256 8.331 2.675 1.00 0.00 O ATOM 0 H GLY A 91 -17.599 4.733 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -15.961 7.046 3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.352 6.700 2.310 1.00 0.00 H new ATOM 1406 N MET A 92 -18.811 7.088 4.466 1.00 0.00 N ATOM 1407 CA MET A 92 -20.069 7.789 4.695 1.00 0.00 C ATOM 1408 C MET A 92 -19.837 9.286 4.907 1.00 0.00 C ATOM 1409 O MET A 92 -20.509 10.114 4.293 1.00 0.00 O ATOM 1410 CB MET A 92 -20.805 7.193 5.901 1.00 0.00 C ATOM 1411 CG MET A 92 -22.114 7.902 6.227 1.00 0.00 C ATOM 1412 SD MET A 92 -22.038 8.839 7.767 1.00 0.00 S ATOM 1413 CE MET A 92 -21.400 7.598 8.889 1.00 0.00 C ATOM 0 H MET A 92 -18.618 6.338 5.130 1.00 0.00 H new ATOM 0 HA MET A 92 -20.687 7.663 3.806 1.00 0.00 H new ATOM 0 HB2 MET A 92 -21.010 6.140 5.707 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.152 7.235 6.772 1.00 0.00 H new ATOM 0 HG2 MET A 92 -22.370 8.576 5.409 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.914 7.165 6.295 1.00 0.00 H new ATOM 0 HE1 MET A 92 -21.802 7.769 9.888 1.00 0.00 H new ATOM 0 HE2 MET A 92 -21.697 6.608 8.543 1.00 0.00 H new ATOM 0 HE3 MET A 92 -20.312 7.660 8.920 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.883 9.659 5.784 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.583 11.067 6.066 1.00 0.00 C ATOM 1425 C PRO A 93 -17.819 11.746 4.934 1.00 0.00 C ATOM 1426 O PRO A 93 -17.933 12.955 4.733 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.722 10.998 7.326 1.00 0.00 C ATOM 1428 CG PRO A 93 -17.061 9.665 7.261 1.00 0.00 C ATOM 1429 CD PRO A 93 -18.030 8.746 6.572 1.00 0.00 C ATOM 0 HA PRO A 93 -19.491 11.658 6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.988 11.803 7.348 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.329 11.095 8.226 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.122 9.723 6.710 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.823 9.300 8.260 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.515 8.028 5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.615 8.171 7.290 1.00 0.00 H new ATOM 1437 N PHE A 94 -17.039 10.963 4.197 1.00 0.00 N ATOM 1438 CA PHE A 94 -16.255 11.494 3.088 1.00 0.00 C ATOM 1439 C PHE A 94 -17.160 11.968 1.956 1.00 0.00 C ATOM 1440 O PHE A 94 -16.862 12.955 1.280 1.00 0.00 O ATOM 1441 CB PHE A 94 -15.284 10.428 2.573 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.913 10.940 2.204 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -13.545 12.262 2.420 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.985 10.083 1.639 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -12.285 12.709 2.080 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.725 10.530 1.298 1.00 0.00 C ATOM 1447 CZ PHE A 94 -11.375 11.843 1.519 1.00 0.00 C ATOM 0 H PHE A 94 -16.933 9.960 4.347 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.687 12.350 3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -15.175 9.658 3.337 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.724 9.949 1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -14.254 12.948 2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.250 9.051 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.013 13.739 2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.012 9.849 0.857 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.388 12.192 1.253 1.00 0.00 H new ATOM 1457 N VAL A 95 -18.265 11.260 1.751 1.00 0.00 N ATOM 1458 CA VAL A 95 -19.212 11.611 0.700 1.00 0.00 C ATOM 1459 C VAL A 95 -20.066 12.809 1.105 1.00 0.00 C ATOM 1460 O VAL A 95 -20.623 13.501 0.255 1.00 0.00 O ATOM 1461 CB VAL A 95 -20.139 10.428 0.352 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.952 10.734 -0.898 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -19.334 9.149 0.170 1.00 0.00 C ATOM 0 H VAL A 95 -18.527 10.440 2.298 1.00 0.00 H new ATOM 0 HA VAL A 95 -18.622 11.868 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.830 10.280 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.600 9.888 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.561 11.621 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.278 10.912 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -20.007 8.327 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.616 9.283 -0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.802 8.919 1.093 1.00 0.00 H new ATOM 1473 N SER A 96 -20.162 13.050 2.409 1.00 0.00 N ATOM 1474 CA SER A 96 -20.946 14.166 2.921 1.00 0.00 C ATOM 1475 C SER A 96 -20.361 15.495 2.459 1.00 0.00 C ATOM 1476 O SER A 96 -21.094 16.421 2.111 1.00 0.00 O ATOM 1477 CB SER A 96 -20.999 14.121 4.451 1.00 0.00 C ATOM 1478 OG SER A 96 -19.894 14.799 5.025 1.00 0.00 O ATOM 0 H SER A 96 -19.707 12.488 3.128 1.00 0.00 H new ATOM 0 HA SER A 96 -21.959 14.078 2.528 1.00 0.00 H new ATOM 0 HB2 SER A 96 -21.927 14.575 4.798 1.00 0.00 H new ATOM 0 HB3 SER A 96 -21.006 13.084 4.786 1.00 0.00 H new ATOM 0 HG SER A 96 -19.140 14.179 5.114 1.00 0.00 H new ATOM 1484 N GLY A 97 -19.036 15.580 2.459 1.00 0.00 N ATOM 1485 CA GLY A 97 -18.373 16.798 2.039 1.00 0.00 C ATOM 1486 C GLY A 97 -18.169 17.779 3.179 1.00 0.00 C ATOM 1487 O GLY A 97 -17.414 18.743 3.050 1.00 0.00 O ATOM 0 H GLY A 97 -18.410 14.827 2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -17.406 16.548 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.962 17.275 1.256 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.844 17.534 4.299 1.00 0.00 N ATOM 1492 CA VAL A 98 -18.738 18.402 5.465 1.00 0.00 C ATOM 1493 C VAL A 98 -17.713 17.868 6.470 1.00 0.00 C ATOM 1494 O VAL A 98 -17.378 18.543 7.443 1.00 0.00 O ATOM 1495 CB VAL A 98 -20.105 18.564 6.163 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -20.547 17.259 6.809 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -20.052 19.686 7.188 1.00 0.00 C ATOM 0 H VAL A 98 -19.471 16.739 4.422 1.00 0.00 H new ATOM 0 HA VAL A 98 -18.403 19.375 5.107 1.00 0.00 H new ATOM 0 HB VAL A 98 -20.843 18.827 5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -21.513 17.402 7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -20.635 16.486 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -19.810 16.953 7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -21.025 19.785 7.670 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.297 19.457 7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.796 20.622 6.690 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.219 16.656 6.226 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.238 16.061 7.115 1.00 0.00 C ATOM 1509 C GLY A 99 -15.017 15.556 6.370 1.00 0.00 C ATOM 1510 O GLY A 99 -14.268 14.725 6.885 1.00 0.00 O ATOM 0 H GLY A 99 -17.481 16.077 5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.929 16.798 7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.697 15.235 7.658 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.814 16.064 5.157 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.678 15.668 4.335 1.00 0.00 C ATOM 1516 C ILE A 100 -12.363 16.012 5.028 1.00 0.00 C ATOM 1517 O ILE A 100 -11.476 15.171 5.148 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.722 16.375 2.960 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -14.884 15.845 2.120 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -12.403 16.206 2.216 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -15.154 16.668 0.877 1.00 0.00 C ATOM 0 H ILE A 100 -15.426 16.754 4.722 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.739 14.590 4.189 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.878 17.440 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.671 14.817 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.785 15.821 2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -12.461 16.713 1.253 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.595 16.639 2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.208 15.145 2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -15.991 16.235 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.398 17.691 1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.267 16.671 0.243 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.251 17.255 5.475 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.048 17.726 6.148 1.00 0.00 C ATOM 1535 C GLU A 101 -10.740 16.889 7.387 1.00 0.00 C ATOM 1536 O GLU A 101 -9.630 16.376 7.540 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.211 19.195 6.536 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.342 20.127 5.340 1.00 0.00 C ATOM 1539 CD GLU A 101 -10.267 21.196 5.310 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -9.160 20.911 4.806 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -10.533 22.319 5.790 1.00 0.00 O ATOM 0 H GLU A 101 -12.983 17.959 5.383 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.211 17.623 5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.093 19.300 7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.353 19.502 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.292 19.542 4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.322 20.604 5.362 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.725 16.757 8.269 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.555 15.987 9.497 1.00 0.00 C ATOM 1550 C ALA A 102 -11.196 14.535 9.195 1.00 0.00 C ATOM 1551 O ALA A 102 -10.323 13.954 9.840 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.820 16.057 10.339 1.00 0.00 C ATOM 0 H ALA A 102 -12.650 17.173 8.157 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.730 16.424 10.059 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.681 15.479 11.253 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.030 17.096 10.595 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.657 15.647 9.773 1.00 0.00 H new ATOM 1558 N LEU A 103 -11.875 13.954 8.211 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.625 12.569 7.825 1.00 0.00 C ATOM 1560 C LEU A 103 -10.308 12.450 7.067 1.00 0.00 C ATOM 1561 O LEU A 103 -9.585 11.464 7.205 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.778 12.044 6.965 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.569 10.653 6.360 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -12.098 9.664 7.419 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -13.854 10.166 5.712 1.00 0.00 C ATOM 0 H LEU A 103 -12.601 14.419 7.667 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.556 11.967 8.731 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.682 12.024 7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.955 12.751 6.154 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.794 10.723 5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.957 8.684 6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.154 10.007 7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -12.846 9.593 8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.694 9.176 5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.643 10.114 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -14.149 10.858 4.923 1.00 0.00 H new ATOM 1577 N GLN A 104 -10.004 13.466 6.267 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.775 13.486 5.487 1.00 0.00 C ATOM 1579 C GLN A 104 -7.558 13.523 6.406 1.00 0.00 C ATOM 1580 O GLN A 104 -6.670 12.680 6.315 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.768 14.695 4.548 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.652 14.663 3.517 1.00 0.00 C ATOM 1583 CD GLN A 104 -8.153 14.939 2.113 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -8.466 14.016 1.362 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -8.240 16.215 1.754 1.00 0.00 N ATOM 0 H GLN A 104 -10.595 14.288 6.142 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.727 12.575 4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.726 14.748 4.031 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.676 15.604 5.142 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.896 15.402 3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.167 13.687 3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.970 16.949 2.409 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.577 16.461 0.823 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.516 14.510 7.290 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.401 14.646 8.217 1.00 0.00 C ATOM 1596 C ASN A 105 -6.279 13.414 9.109 1.00 0.00 C ATOM 1597 O ASN A 105 -5.180 13.034 9.510 1.00 0.00 O ATOM 1598 CB ASN A 105 -6.567 15.904 9.068 1.00 0.00 C ATOM 1599 CG ASN A 105 -6.734 17.148 8.219 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -6.102 17.289 7.172 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -7.591 18.057 8.665 1.00 0.00 N ATOM 0 H ASN A 105 -8.237 15.225 7.385 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.484 14.735 7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.435 15.790 9.718 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.698 16.021 9.715 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.747 18.914 8.135 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -8.094 17.899 9.538 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.410 12.791 9.420 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.411 11.605 10.263 1.00 0.00 C ATOM 1610 C LYS A 106 -6.874 10.398 9.497 1.00 0.00 C ATOM 1611 O LYS A 106 -6.111 9.603 10.038 1.00 0.00 O ATOM 1612 CB LYS A 106 -8.823 11.316 10.784 1.00 0.00 C ATOM 1613 CG LYS A 106 -9.036 11.747 12.228 1.00 0.00 C ATOM 1614 CD LYS A 106 -10.487 11.584 12.659 1.00 0.00 C ATOM 1615 CE LYS A 106 -11.041 12.870 13.253 1.00 0.00 C ATOM 1616 NZ LYS A 106 -11.943 13.579 12.304 1.00 0.00 N ATOM 0 H LYS A 106 -8.333 13.087 9.102 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.757 11.793 11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.548 11.827 10.150 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.022 10.248 10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.394 11.157 12.882 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.737 12.789 12.344 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.091 11.289 11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.562 10.782 13.393 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.586 12.641 14.169 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.216 13.527 13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.586 14.200 12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.375 14.150 11.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.498 12.883 11.767 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.273 10.263 8.237 1.00 0.00 N ATOM 1631 CA ILE A 107 -6.821 9.141 7.420 1.00 0.00 C ATOM 1632 C ILE A 107 -5.317 9.211 7.158 1.00 0.00 C ATOM 1633 O ILE A 107 -4.637 8.185 7.137 1.00 0.00 O ATOM 1634 CB ILE A 107 -7.582 9.062 6.075 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -7.480 7.654 5.487 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -7.054 10.090 5.084 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -8.025 6.576 6.398 1.00 0.00 C ATOM 0 H ILE A 107 -7.903 10.910 7.762 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.037 8.237 7.989 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.631 9.287 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.019 7.625 4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -6.435 7.437 5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.607 10.011 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.180 11.091 5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -5.996 9.905 4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.920 5.604 5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.470 6.578 7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.079 6.768 6.600 1.00 0.00 H new ATOM 1649 N LEU A 108 -4.798 10.420 6.958 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.372 10.594 6.697 1.00 0.00 C ATOM 1651 C LEU A 108 -2.550 10.386 7.967 1.00 0.00 C ATOM 1652 O LEU A 108 -1.511 9.730 7.942 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.090 11.979 6.097 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.108 13.150 7.083 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -1.758 13.299 7.771 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -3.486 14.438 6.364 1.00 0.00 C ATOM 0 H LEU A 108 -5.337 11.286 6.971 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.074 9.837 5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.114 11.952 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.827 12.173 5.318 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.857 12.944 7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.795 14.137 8.467 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.525 12.385 8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.987 13.482 7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.495 15.263 7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.758 14.644 5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.476 14.330 5.921 1.00 0.00 H new ATOM 1668 N THR A 109 -3.021 10.942 9.078 1.00 0.00 N ATOM 1669 CA THR A 109 -2.323 10.809 10.352 1.00 0.00 C ATOM 1670 C THR A 109 -2.177 9.341 10.748 1.00 0.00 C ATOM 1671 O THR A 109 -1.112 8.913 11.194 1.00 0.00 O ATOM 1672 CB THR A 109 -3.064 11.574 11.450 1.00 0.00 C ATOM 1673 OG1 THR A 109 -3.235 12.935 11.092 1.00 0.00 O ATOM 1674 CG2 THR A 109 -2.352 11.540 12.785 1.00 0.00 C ATOM 0 H THR A 109 -3.881 11.488 9.122 1.00 0.00 H new ATOM 0 HA THR A 109 -1.326 11.234 10.233 1.00 0.00 H new ATOM 0 HB THR A 109 -4.025 11.070 11.552 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.877 13.001 10.355 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.930 12.101 13.520 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.249 10.507 13.116 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.364 11.988 12.682 1.00 0.00 H new ATOM 1682 N ILE A 110 -3.252 8.575 10.587 1.00 0.00 N ATOM 1683 CA ILE A 110 -3.235 7.159 10.934 1.00 0.00 C ATOM 1684 C ILE A 110 -2.342 6.366 9.980 1.00 0.00 C ATOM 1685 O ILE A 110 -1.589 5.492 10.408 1.00 0.00 O ATOM 1686 CB ILE A 110 -4.655 6.555 10.920 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -5.586 7.358 11.829 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -4.618 5.097 11.354 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -5.094 7.471 13.255 1.00 0.00 C ATOM 0 H ILE A 110 -4.143 8.910 10.220 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.832 7.088 11.944 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.040 6.603 9.901 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -5.708 8.359 11.416 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -6.571 6.891 11.830 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.628 4.687 11.338 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -3.985 4.530 10.671 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.214 5.028 12.364 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -5.805 8.054 13.840 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.999 6.475 13.687 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -4.123 7.966 13.267 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.432 6.674 8.689 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.630 5.983 7.686 1.00 0.00 C ATOM 1703 C LEU A 111 -0.140 6.218 7.921 1.00 0.00 C ATOM 1704 O LEU A 111 0.666 5.293 7.830 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.014 6.446 6.276 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.196 5.705 5.643 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -3.447 6.208 4.229 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -2.951 4.201 5.640 1.00 0.00 C ATOM 0 H LEU A 111 -3.050 7.394 8.315 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.832 4.916 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.251 7.509 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.146 6.335 5.626 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.084 5.905 6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.290 5.670 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.672 7.274 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.558 6.041 3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.803 3.695 5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.050 3.980 5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.825 3.851 6.664 1.00 0.00 H new ATOM 1720 N GLN A 112 0.220 7.462 8.224 1.00 0.00 N ATOM 1721 CA GLN A 112 1.615 7.816 8.473 1.00 0.00 C ATOM 1722 C GLN A 112 2.031 7.451 9.897 1.00 0.00 C ATOM 1723 O GLN A 112 3.221 7.349 10.197 1.00 0.00 O ATOM 1724 CB GLN A 112 1.839 9.312 8.234 1.00 0.00 C ATOM 1725 CG GLN A 112 1.281 9.811 6.910 1.00 0.00 C ATOM 1726 CD GLN A 112 2.220 10.768 6.201 1.00 0.00 C ATOM 1727 OE1 GLN A 112 1.901 11.942 6.014 1.00 0.00 O ATOM 1728 NE2 GLN A 112 3.384 10.271 5.800 1.00 0.00 N ATOM 0 H GLN A 112 -0.433 8.241 8.303 1.00 0.00 H new ATOM 0 HA GLN A 112 2.231 7.247 7.777 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.378 9.874 9.047 1.00 0.00 H new ATOM 0 HB3 GLN A 112 2.908 9.520 8.269 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.080 8.959 6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.328 10.309 7.087 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.608 9.292 5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.054 10.869 5.316 1.00 0.00 H new ATOM 1737 N GLY A 113 1.048 7.254 10.772 1.00 0.00 N ATOM 1738 CA GLY A 113 1.343 6.903 12.150 1.00 0.00 C ATOM 1739 C GLY A 113 0.267 6.036 12.773 1.00 0.00 C ATOM 1740 O GLY A 113 -0.917 6.424 12.709 1.00 0.00 O ATOM 1741 OXT GLY A 113 0.609 4.969 13.326 1.00 0.00 O ATOM 0 H GLY A 113 0.055 7.331 10.552 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.297 6.377 12.191 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.456 7.814 12.737 1.00 0.00 H new TER 1745 GLY A 113