USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 857 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 -2 SER OG : rot 180:sc= -0.223 USER MOD Set 1.2: A -6 GLY N :NH3+ -176:sc= 0.157 (180deg=0.152) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.595 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 92:sc= -2.11! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -2.3 K(o=-2.3,f=-5.4!) USER MOD Single : A 29 ASN : amide:sc= 1.13 K(o=1.1,f=-0.041) USER MOD Single : A 32 SER OG : rot 180:sc= -0.142 USER MOD Single : A 34 CYS SG : rot -93:sc= -1.44! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -9.13! C(o=-9.1!,f=-11!) USER MOD Single : A 44 HIS : no HD1:sc= -0.672 K(o=-0.67,f=-0.046) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.591 USER MOD Single : A 53 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.1) USER MOD Single : A 54 SER OG : rot -150:sc= -2.89! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= 0.0301 (180deg=0.0108) USER MOD Single : A 77 SER OG : rot 31:sc= 0.501 USER MOD Single : A 78 MET CE :methyl -151:sc= -1.26 (180deg=-1.77) USER MOD Single : A 80 HIS : no HD1:sc= -0.88 X(o=-0.88,f=-1.3) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 149:sc= -0.166 USER MOD Single : A 89 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-4.7!) USER MOD Single : A 91 THR OG1 : rot -170:sc= -0.244 USER MOD Single : A 93 MET CE :methyl -124:sc= -0.345 (180deg=-1.56) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -3.22 K(o=-3.2,f=-4.9!) USER MOD Single : A 100 SER OG : rot 46:sc= 2.06 USER MOD Single : A 103 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.39) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 6.813 15.193 -17.298 1.00 0.00 N ATOM 2 CA GLY A -6 7.241 14.675 -18.584 1.00 0.00 C ATOM 3 C GLY A -6 7.150 15.712 -19.686 1.00 0.00 C ATOM 4 O GLY A -6 8.080 15.870 -20.477 1.00 0.00 O ATOM 0 H1 GLY A -6 6.958 14.468 -16.566 1.00 0.00 H new ATOM 0 H2 GLY A -6 7.370 16.039 -17.062 1.00 0.00 H new ATOM 0 H3 GLY A -6 5.805 15.443 -17.343 1.00 0.00 H new ATOM 0 HA2 GLY A -6 8.269 14.322 -18.506 1.00 0.00 H new ATOM 0 HA3 GLY A -6 6.627 13.814 -18.848 1.00 0.00 H new ATOM 8 N SER A -5 6.027 16.420 -19.739 1.00 0.00 N ATOM 9 CA SER A -5 5.816 17.444 -20.756 1.00 0.00 C ATOM 10 C SER A -5 6.268 18.812 -20.252 1.00 0.00 C ATOM 11 O SER A -5 7.095 19.474 -20.878 1.00 0.00 O ATOM 12 CB SER A -5 4.340 17.499 -21.157 1.00 0.00 C ATOM 13 OG SER A -5 4.174 18.159 -22.399 1.00 0.00 O ATOM 0 H SER A -5 5.249 16.304 -19.090 1.00 0.00 H new ATOM 0 HA SER A -5 6.413 17.181 -21.629 1.00 0.00 H new ATOM 0 HB2 SER A -5 3.940 16.487 -21.223 1.00 0.00 H new ATOM 0 HB3 SER A -5 3.770 18.018 -20.387 1.00 0.00 H new ATOM 0 HG SER A -5 3.223 18.180 -22.634 1.00 0.00 H new ATOM 19 N SER A -4 5.719 19.228 -19.115 1.00 0.00 N ATOM 20 CA SER A -4 6.061 20.517 -18.527 1.00 0.00 C ATOM 21 C SER A -4 7.227 20.377 -17.552 1.00 0.00 C ATOM 22 O SER A -4 7.216 20.959 -16.468 1.00 0.00 O ATOM 23 CB SER A -4 4.849 21.113 -17.809 1.00 0.00 C ATOM 24 OG SER A -4 3.722 21.164 -18.667 1.00 0.00 O ATOM 0 H SER A -4 5.035 18.690 -18.583 1.00 0.00 H new ATOM 0 HA SER A -4 6.362 21.187 -19.332 1.00 0.00 H new ATOM 0 HB2 SER A -4 4.613 20.515 -16.929 1.00 0.00 H new ATOM 0 HB3 SER A -4 5.088 22.117 -17.457 1.00 0.00 H new ATOM 0 HG SER A -4 2.960 21.547 -18.184 1.00 0.00 H new ATOM 30 N GLY A -3 8.231 19.601 -17.947 1.00 0.00 N ATOM 31 CA GLY A -3 9.390 19.397 -17.098 1.00 0.00 C ATOM 32 C GLY A -3 9.249 18.179 -16.207 1.00 0.00 C ATOM 33 O GLY A -3 8.137 17.735 -15.921 1.00 0.00 O ATOM 0 H GLY A -3 8.263 19.110 -18.840 1.00 0.00 H new ATOM 0 HA2 GLY A -3 10.278 19.287 -17.721 1.00 0.00 H new ATOM 0 HA3 GLY A -3 9.543 20.281 -16.479 1.00 0.00 H new ATOM 37 N SER A -2 10.380 17.635 -15.768 1.00 0.00 N ATOM 38 CA SER A -2 10.378 16.456 -14.909 1.00 0.00 C ATOM 39 C SER A -2 11.371 16.618 -13.763 1.00 0.00 C ATOM 40 O SER A -2 12.584 16.632 -13.975 1.00 0.00 O ATOM 41 CB SER A -2 10.720 15.206 -15.722 1.00 0.00 C ATOM 42 OG SER A -2 9.824 15.044 -16.809 1.00 0.00 O ATOM 0 H SER A -2 11.309 17.992 -15.993 1.00 0.00 H new ATOM 0 HA SER A -2 9.379 16.345 -14.488 1.00 0.00 H new ATOM 0 HB2 SER A -2 11.741 15.280 -16.096 1.00 0.00 H new ATOM 0 HB3 SER A -2 10.679 14.327 -15.079 1.00 0.00 H new ATOM 0 HG SER A -2 10.064 14.239 -17.314 1.00 0.00 H new ATOM 48 N SER A -1 10.848 16.741 -12.547 1.00 0.00 N ATOM 49 CA SER A -1 11.687 16.906 -11.366 1.00 0.00 C ATOM 50 C SER A -1 12.487 15.637 -11.087 1.00 0.00 C ATOM 51 O SER A -1 12.006 14.720 -10.422 1.00 0.00 O ATOM 52 CB SER A -1 10.829 17.259 -10.150 1.00 0.00 C ATOM 53 OG SER A -1 11.605 17.271 -8.964 1.00 0.00 O ATOM 0 H SER A -1 9.846 16.729 -12.354 1.00 0.00 H new ATOM 0 HA SER A -1 12.385 17.721 -11.558 1.00 0.00 H new ATOM 0 HB2 SER A -1 10.369 18.236 -10.297 1.00 0.00 H new ATOM 0 HB3 SER A -1 10.019 16.537 -10.051 1.00 0.00 H new ATOM 0 HG SER A -1 11.034 17.501 -8.202 1.00 0.00 H new ATOM 59 N GLY A 0 13.713 15.593 -11.600 1.00 0.00 N ATOM 60 CA GLY A 0 14.561 14.433 -11.396 1.00 0.00 C ATOM 61 C GLY A 0 15.949 14.807 -10.915 1.00 0.00 C ATOM 62 O GLY A 0 16.111 15.748 -10.138 1.00 0.00 O ATOM 0 H GLY A 0 14.134 16.340 -12.153 1.00 0.00 H new ATOM 0 HA2 GLY A 0 14.094 13.769 -10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 0 14.641 13.877 -12.330 1.00 0.00 H new ATOM 66 N MET A 1 16.953 14.068 -11.376 1.00 0.00 N ATOM 67 CA MET A 1 18.334 14.328 -10.987 1.00 0.00 C ATOM 68 C MET A 1 18.830 15.640 -11.587 1.00 0.00 C ATOM 69 O MET A 1 19.708 16.296 -11.027 1.00 0.00 O ATOM 70 CB MET A 1 19.237 13.176 -11.432 1.00 0.00 C ATOM 71 CG MET A 1 19.447 13.115 -12.936 1.00 0.00 C ATOM 72 SD MET A 1 18.212 12.098 -13.769 1.00 0.00 S ATOM 73 CE MET A 1 19.112 11.607 -15.238 1.00 0.00 C ATOM 0 H MET A 1 16.836 13.285 -12.019 1.00 0.00 H new ATOM 0 HA MET A 1 18.370 14.409 -9.901 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.206 13.274 -10.942 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.803 12.234 -11.095 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.416 14.125 -13.345 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.440 12.717 -13.144 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.479 10.972 -15.857 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.399 12.494 -15.803 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.007 11.056 -14.949 1.00 0.00 H new ATOM 83 N MET A 2 18.264 16.015 -12.729 1.00 0.00 N ATOM 84 CA MET A 2 18.649 17.249 -13.404 1.00 0.00 C ATOM 85 C MET A 2 18.243 18.468 -12.581 1.00 0.00 C ATOM 86 O MET A 2 19.053 19.363 -12.338 1.00 0.00 O ATOM 87 CB MET A 2 18.007 17.319 -14.791 1.00 0.00 C ATOM 88 CG MET A 2 18.587 18.412 -15.674 1.00 0.00 C ATOM 89 SD MET A 2 18.085 18.251 -17.398 1.00 0.00 S ATOM 90 CE MET A 2 17.753 19.961 -17.815 1.00 0.00 C ATOM 0 H MET A 2 17.537 15.482 -13.207 1.00 0.00 H new ATOM 0 HA MET A 2 19.734 17.251 -13.513 1.00 0.00 H new ATOM 0 HB2 MET A 2 18.131 16.357 -15.289 1.00 0.00 H new ATOM 0 HB3 MET A 2 16.935 17.484 -14.679 1.00 0.00 H new ATOM 0 HG2 MET A 2 18.271 19.385 -15.297 1.00 0.00 H new ATOM 0 HG3 MET A 2 19.675 18.385 -15.612 1.00 0.00 H new ATOM 0 HE1 MET A 2 17.431 20.026 -18.854 1.00 0.00 H new ATOM 0 HE2 MET A 2 16.967 20.348 -17.166 1.00 0.00 H new ATOM 0 HE3 MET A 2 18.659 20.551 -17.678 1.00 0.00 H new ATOM 100 N LEU A 3 16.985 18.496 -12.155 1.00 0.00 N ATOM 101 CA LEU A 3 16.471 19.606 -11.360 1.00 0.00 C ATOM 102 C LEU A 3 16.660 19.341 -9.870 1.00 0.00 C ATOM 103 O LEU A 3 16.057 18.426 -9.310 1.00 0.00 O ATOM 104 CB LEU A 3 14.990 19.835 -11.665 1.00 0.00 C ATOM 105 CG LEU A 3 14.682 20.623 -12.939 1.00 0.00 C ATOM 106 CD1 LEU A 3 14.812 19.730 -14.163 1.00 0.00 C ATOM 107 CD2 LEU A 3 13.288 21.230 -12.866 1.00 0.00 C ATOM 0 H LEU A 3 16.302 17.763 -12.347 1.00 0.00 H new ATOM 0 HA LEU A 3 17.033 20.502 -11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 3 14.499 18.864 -11.734 1.00 0.00 H new ATOM 0 HB3 LEU A 3 14.542 20.359 -10.820 1.00 0.00 H new ATOM 0 HG LEU A 3 15.406 21.433 -13.027 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.589 20.308 -15.060 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.829 19.342 -14.224 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.111 18.899 -14.083 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.085 21.787 -13.781 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.550 20.435 -12.754 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.229 21.903 -12.011 1.00 0.00 H new ATOM 119 N GLY A 4 17.501 20.149 -9.231 1.00 0.00 N ATOM 120 CA GLY A 4 17.752 19.987 -7.811 1.00 0.00 C ATOM 121 C GLY A 4 18.884 19.019 -7.530 1.00 0.00 C ATOM 122 O GLY A 4 19.789 18.835 -8.345 1.00 0.00 O ATOM 0 H GLY A 4 18.013 20.913 -9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.990 20.957 -7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.844 19.632 -7.323 1.00 0.00 H new ATOM 126 N PRO A 5 18.845 18.383 -6.350 1.00 0.00 N ATOM 127 CA PRO A 5 19.869 17.420 -5.935 1.00 0.00 C ATOM 128 C PRO A 5 19.811 16.128 -6.745 1.00 0.00 C ATOM 129 O PRO A 5 19.041 16.017 -7.698 1.00 0.00 O ATOM 130 CB PRO A 5 19.526 17.147 -4.468 1.00 0.00 C ATOM 131 CG PRO A 5 18.069 17.439 -4.359 1.00 0.00 C ATOM 132 CD PRO A 5 17.797 18.555 -5.330 1.00 0.00 C ATOM 0 HA PRO A 5 20.877 17.806 -6.086 1.00 0.00 H new ATOM 0 HB2 PRO A 5 19.744 16.114 -4.196 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.108 17.782 -3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 5 17.475 16.558 -4.601 1.00 0.00 H new ATOM 0 HG3 PRO A 5 17.805 17.732 -3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.799 18.477 -5.762 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.861 19.531 -4.849 1.00 0.00 H new ATOM 140 N GLU A 6 20.631 15.156 -6.357 1.00 0.00 N ATOM 141 CA GLU A 6 20.672 13.872 -7.049 1.00 0.00 C ATOM 142 C GLU A 6 19.489 12.998 -6.644 1.00 0.00 C ATOM 143 O GLU A 6 19.612 12.129 -5.782 1.00 0.00 O ATOM 144 CB GLU A 6 21.985 13.147 -6.745 1.00 0.00 C ATOM 145 CG GLU A 6 22.131 11.822 -7.475 1.00 0.00 C ATOM 146 CD GLU A 6 22.124 11.984 -8.983 1.00 0.00 C ATOM 147 OE1 GLU A 6 23.057 12.619 -9.517 1.00 0.00 O ATOM 148 OE2 GLU A 6 21.184 11.475 -9.630 1.00 0.00 O ATOM 0 H GLU A 6 21.274 15.232 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 6 20.610 14.062 -8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 6 22.819 13.795 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 6 22.053 12.970 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 6 23.061 11.343 -7.169 1.00 0.00 H new ATOM 0 HG3 GLU A 6 21.319 11.158 -7.181 1.00 0.00 H new ATOM 155 N GLY A 7 18.342 13.236 -7.273 1.00 0.00 N ATOM 156 CA GLY A 7 17.153 12.463 -6.965 1.00 0.00 C ATOM 157 C GLY A 7 16.753 12.570 -5.507 1.00 0.00 C ATOM 158 O GLY A 7 16.079 13.519 -5.109 1.00 0.00 O ATOM 0 H GLY A 7 18.215 13.950 -7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.329 12.805 -7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.329 11.417 -7.214 1.00 0.00 H new ATOM 162 N GLY A 8 17.170 11.593 -4.707 1.00 0.00 N ATOM 163 CA GLY A 8 16.840 11.600 -3.294 1.00 0.00 C ATOM 164 C GLY A 8 15.634 10.739 -2.976 1.00 0.00 C ATOM 165 O GLY A 8 14.725 11.170 -2.267 1.00 0.00 O ATOM 0 H GLY A 8 17.730 10.797 -5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 8 17.697 11.245 -2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 8 16.646 12.624 -2.974 1.00 0.00 H new ATOM 169 N GLU A 9 15.625 9.518 -3.502 1.00 0.00 N ATOM 170 CA GLU A 9 14.520 8.595 -3.271 1.00 0.00 C ATOM 171 C GLU A 9 15.012 7.310 -2.612 1.00 0.00 C ATOM 172 O GLU A 9 16.193 7.176 -2.293 1.00 0.00 O ATOM 173 CB GLU A 9 13.816 8.268 -4.590 1.00 0.00 C ATOM 174 CG GLU A 9 13.465 9.496 -5.414 1.00 0.00 C ATOM 175 CD GLU A 9 14.692 10.204 -5.956 1.00 0.00 C ATOM 176 OE1 GLU A 9 15.740 9.543 -6.108 1.00 0.00 O ATOM 177 OE2 GLU A 9 14.602 11.419 -6.229 1.00 0.00 O ATOM 0 H GLU A 9 16.370 9.145 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 9 13.811 9.078 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.457 7.615 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.904 7.711 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.824 9.201 -6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.891 10.190 -4.799 1.00 0.00 H new ATOM 184 N GLY A 10 14.097 6.367 -2.412 1.00 0.00 N ATOM 185 CA GLY A 10 14.456 5.105 -1.791 1.00 0.00 C ATOM 186 C GLY A 10 13.705 3.931 -2.387 1.00 0.00 C ATOM 187 O GLY A 10 12.728 4.115 -3.115 1.00 0.00 O ATOM 0 H GLY A 10 13.114 6.454 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.528 4.941 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.251 5.158 -0.722 1.00 0.00 H new ATOM 191 N TYR A 11 14.161 2.722 -2.081 1.00 0.00 N ATOM 192 CA TYR A 11 13.527 1.513 -2.595 1.00 0.00 C ATOM 193 C TYR A 11 12.113 1.362 -2.042 1.00 0.00 C ATOM 194 O TYR A 11 11.921 1.153 -0.844 1.00 0.00 O ATOM 195 CB TYR A 11 14.361 0.282 -2.235 1.00 0.00 C ATOM 196 CG TYR A 11 15.809 0.387 -2.660 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.153 0.510 -4.000 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.832 0.362 -1.720 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.474 0.605 -4.393 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.156 0.458 -2.104 1.00 0.00 C ATOM 201 CZ TYR A 11 18.472 0.579 -3.441 1.00 0.00 C ATOM 202 OH TYR A 11 19.789 0.674 -3.827 1.00 0.00 O ATOM 0 H TYR A 11 14.967 2.552 -1.480 1.00 0.00 H new ATOM 0 HA TYR A 11 13.466 1.598 -3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.318 0.127 -1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.917 -0.597 -2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.374 0.532 -4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.588 0.266 -0.672 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.724 0.699 -5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.939 0.438 -1.361 1.00 0.00 H new ATOM 0 HH TYR A 11 20.365 0.641 -3.035 1.00 0.00 H new ATOM 212 N VAL A 12 11.125 1.469 -2.925 1.00 0.00 N ATOM 213 CA VAL A 12 9.728 1.343 -2.528 1.00 0.00 C ATOM 214 C VAL A 12 8.934 0.546 -3.557 1.00 0.00 C ATOM 215 O VAL A 12 9.358 0.395 -4.703 1.00 0.00 O ATOM 216 CB VAL A 12 9.070 2.723 -2.344 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.626 2.570 -1.890 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.863 3.563 -1.355 1.00 0.00 C ATOM 0 H VAL A 12 11.267 1.643 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 12 9.716 0.814 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 12 9.070 3.238 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.177 3.556 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.067 2.009 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.598 2.036 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.384 4.535 -1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.896 3.055 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.878 3.702 -1.727 1.00 0.00 H new ATOM 228 N VAL A 13 7.778 0.038 -3.141 1.00 0.00 N ATOM 229 CA VAL A 13 6.923 -0.742 -4.027 1.00 0.00 C ATOM 230 C VAL A 13 5.449 -0.517 -3.708 1.00 0.00 C ATOM 231 O VAL A 13 5.069 -0.373 -2.546 1.00 0.00 O ATOM 232 CB VAL A 13 7.234 -2.247 -3.926 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.615 -2.547 -4.490 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.125 -2.717 -2.483 1.00 0.00 C ATOM 0 H VAL A 13 7.412 0.153 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 13 7.128 -0.403 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 13 6.500 -2.793 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.817 -3.615 -4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.653 -2.248 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.366 -1.993 -3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.348 -3.783 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.835 -2.166 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.114 -2.539 -2.118 1.00 0.00 H new ATOM 244 N LYS A 14 4.622 -0.486 -4.747 1.00 0.00 N ATOM 245 CA LYS A 14 3.189 -0.280 -4.580 1.00 0.00 C ATOM 246 C LYS A 14 2.421 -1.576 -4.817 1.00 0.00 C ATOM 247 O LYS A 14 2.539 -2.195 -5.876 1.00 0.00 O ATOM 248 CB LYS A 14 2.693 0.802 -5.541 1.00 0.00 C ATOM 249 CG LYS A 14 1.192 0.766 -5.775 1.00 0.00 C ATOM 250 CD LYS A 14 0.772 1.753 -6.852 1.00 0.00 C ATOM 251 CE LYS A 14 0.616 3.158 -6.290 1.00 0.00 C ATOM 252 NZ LYS A 14 -0.201 4.025 -7.184 1.00 0.00 N ATOM 0 H LYS A 14 4.921 -0.601 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 14 3.012 0.044 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.967 1.780 -5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.204 0.689 -6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.892 -0.241 -6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.672 0.997 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.514 1.760 -7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.170 1.431 -7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.148 3.106 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.600 3.605 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.284 4.974 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.259 4.095 -8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.149 3.612 -7.297 1.00 0.00 H new ATOM 266 N LEU A 15 1.633 -1.982 -3.827 1.00 0.00 N ATOM 267 CA LEU A 15 0.844 -3.205 -3.929 1.00 0.00 C ATOM 268 C LEU A 15 -0.635 -2.884 -4.120 1.00 0.00 C ATOM 269 O LEU A 15 -1.261 -2.260 -3.263 1.00 0.00 O ATOM 270 CB LEU A 15 1.034 -4.063 -2.677 1.00 0.00 C ATOM 271 CG LEU A 15 2.470 -4.482 -2.362 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.536 -5.195 -1.020 1.00 0.00 C ATOM 273 CD2 LEU A 15 3.021 -5.371 -3.468 1.00 0.00 C ATOM 0 H LEU A 15 1.524 -1.482 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 15 1.191 -3.761 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.641 -3.514 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.429 -4.963 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 15 3.086 -3.584 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.566 -5.486 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.183 -4.526 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.907 -6.085 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.044 -5.660 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.403 -6.265 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.011 -4.826 -4.412 1.00 0.00 H new ATOM 285 N ARG A 16 -1.188 -3.316 -5.249 1.00 0.00 N ATOM 286 CA ARG A 16 -2.593 -3.076 -5.552 1.00 0.00 C ATOM 287 C ARG A 16 -3.382 -4.382 -5.543 1.00 0.00 C ATOM 288 O ARG A 16 -2.808 -5.466 -5.628 1.00 0.00 O ATOM 289 CB ARG A 16 -2.734 -2.392 -6.914 1.00 0.00 C ATOM 290 CG ARG A 16 -4.053 -1.659 -7.094 1.00 0.00 C ATOM 291 CD ARG A 16 -3.938 -0.552 -8.130 1.00 0.00 C ATOM 292 NE ARG A 16 -5.100 0.333 -8.117 1.00 0.00 N ATOM 293 CZ ARG A 16 -5.291 1.308 -8.999 1.00 0.00 C ATOM 294 NH1 ARG A 16 -4.402 1.521 -9.959 1.00 0.00 N ATOM 295 NH2 ARG A 16 -6.374 2.071 -8.921 1.00 0.00 N ATOM 0 H ARG A 16 -0.684 -3.834 -5.969 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.998 -2.421 -4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.915 -1.685 -7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.634 -3.141 -7.699 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.825 -2.366 -7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.368 -1.235 -6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.037 0.030 -7.939 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.829 -0.993 -9.121 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.803 0.195 -7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.569 0.936 -10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.551 2.270 -10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.060 1.909 -8.184 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.520 2.820 -9.598 1.00 0.00 H new ATOM 309 N GLY A 17 -4.703 -4.269 -5.439 1.00 0.00 N ATOM 310 CA GLY A 17 -5.549 -5.447 -5.420 1.00 0.00 C ATOM 311 C GLY A 17 -5.741 -6.001 -4.022 1.00 0.00 C ATOM 312 O GLY A 17 -6.533 -6.921 -3.813 1.00 0.00 O ATOM 0 H GLY A 17 -5.202 -3.382 -5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.521 -5.199 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.110 -6.216 -6.055 1.00 0.00 H new ATOM 316 N LEU A 18 -5.012 -5.443 -3.061 1.00 0.00 N ATOM 317 CA LEU A 18 -5.104 -5.887 -1.675 1.00 0.00 C ATOM 318 C LEU A 18 -6.546 -5.834 -1.180 1.00 0.00 C ATOM 319 O LEU A 18 -7.345 -5.002 -1.610 1.00 0.00 O ATOM 320 CB LEU A 18 -4.213 -5.022 -0.781 1.00 0.00 C ATOM 321 CG LEU A 18 -2.717 -5.051 -1.095 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.018 -3.852 -0.474 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.094 -6.349 -0.602 1.00 0.00 C ATOM 0 H LEU A 18 -4.351 -4.682 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.761 -6.921 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.558 -3.990 -0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.353 -5.339 0.253 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.591 -4.999 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.954 -3.890 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.446 -2.933 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.153 -3.872 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.029 -6.352 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.231 -6.432 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.575 -7.194 -1.095 1.00 0.00 H new ATOM 335 N PRO A 19 -6.887 -6.741 -0.253 1.00 0.00 N ATOM 336 CA PRO A 19 -8.233 -6.816 0.323 1.00 0.00 C ATOM 337 C PRO A 19 -8.543 -5.629 1.229 1.00 0.00 C ATOM 338 O PRO A 19 -7.652 -5.083 1.879 1.00 0.00 O ATOM 339 CB PRO A 19 -8.200 -8.113 1.135 1.00 0.00 C ATOM 340 CG PRO A 19 -6.762 -8.315 1.469 1.00 0.00 C ATOM 341 CD PRO A 19 -5.986 -7.763 0.305 1.00 0.00 C ATOM 0 HA PRO A 19 -9.006 -6.797 -0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.808 -8.031 2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.594 -8.951 0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.500 -7.799 2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.541 -9.372 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.037 -7.331 0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.754 -8.537 -0.427 1.00 0.00 H new ATOM 349 N TRP A 20 -9.811 -5.235 1.267 1.00 0.00 N ATOM 350 CA TRP A 20 -10.238 -4.113 2.094 1.00 0.00 C ATOM 351 C TRP A 20 -9.881 -4.348 3.558 1.00 0.00 C ATOM 352 O TRP A 20 -9.956 -3.434 4.379 1.00 0.00 O ATOM 353 CB TRP A 20 -11.745 -3.893 1.953 1.00 0.00 C ATOM 354 CG TRP A 20 -12.122 -3.134 0.717 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.400 -3.040 -0.439 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.310 -2.362 0.514 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.068 -2.255 -1.348 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.243 -1.828 -0.788 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.425 -2.071 1.304 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.248 -1.020 -1.314 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.421 -1.269 0.781 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.328 -0.752 -0.518 1.00 0.00 C ATOM 0 H TRP A 20 -10.561 -5.676 0.735 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.714 -3.221 1.750 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.247 -4.861 1.944 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.109 -3.353 2.827 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.445 -3.513 -0.613 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.742 -2.027 -2.287 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.507 -2.466 2.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.177 -0.619 -2.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.286 -1.036 1.384 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.125 -0.130 -0.898 1.00 0.00 H new ATOM 373 N SER A 21 -9.491 -5.578 3.877 1.00 0.00 N ATOM 374 CA SER A 21 -9.126 -5.933 5.243 1.00 0.00 C ATOM 375 C SER A 21 -7.658 -6.341 5.324 1.00 0.00 C ATOM 376 O SER A 21 -7.256 -7.081 6.223 1.00 0.00 O ATOM 377 CB SER A 21 -10.012 -7.073 5.751 1.00 0.00 C ATOM 378 OG SER A 21 -11.352 -6.642 5.914 1.00 0.00 O ATOM 0 H SER A 21 -9.420 -6.345 3.208 1.00 0.00 H new ATOM 0 HA SER A 21 -9.278 -5.056 5.873 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.977 -7.906 5.049 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.627 -7.442 6.702 1.00 0.00 H new ATOM 0 HG SER A 21 -11.899 -7.388 6.238 1.00 0.00 H new ATOM 384 N CYS A 22 -6.862 -5.854 4.379 1.00 0.00 N ATOM 385 CA CYS A 22 -5.438 -6.167 4.341 1.00 0.00 C ATOM 386 C CYS A 22 -4.708 -5.521 5.515 1.00 0.00 C ATOM 387 O CYS A 22 -4.855 -4.326 5.768 1.00 0.00 O ATOM 388 CB CYS A 22 -4.825 -5.695 3.022 1.00 0.00 C ATOM 389 SG CYS A 22 -3.103 -6.193 2.788 1.00 0.00 S ATOM 0 H CYS A 22 -7.179 -5.240 3.628 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.327 -7.249 4.418 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.420 -6.086 2.197 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.887 -4.608 2.973 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.062 -7.328 2.155 1.00 0.00 H new ATOM 395 N SER A 23 -3.923 -6.322 6.229 1.00 0.00 N ATOM 396 CA SER A 23 -3.174 -5.830 7.379 1.00 0.00 C ATOM 397 C SER A 23 -1.674 -5.865 7.106 1.00 0.00 C ATOM 398 O SER A 23 -1.204 -6.626 6.260 1.00 0.00 O ATOM 399 CB SER A 23 -3.498 -6.664 8.620 1.00 0.00 C ATOM 400 OG SER A 23 -4.846 -6.482 9.019 1.00 0.00 O ATOM 0 H SER A 23 -3.789 -7.314 6.031 1.00 0.00 H new ATOM 0 HA SER A 23 -3.469 -4.796 7.558 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.316 -7.718 8.411 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.833 -6.381 9.436 1.00 0.00 H new ATOM 0 HG SER A 23 -5.029 -7.027 9.813 1.00 0.00 H new ATOM 406 N ILE A 24 -0.927 -5.037 7.829 1.00 0.00 N ATOM 407 CA ILE A 24 0.520 -4.974 7.666 1.00 0.00 C ATOM 408 C ILE A 24 1.130 -6.370 7.626 1.00 0.00 C ATOM 409 O ILE A 24 2.004 -6.653 6.807 1.00 0.00 O ATOM 410 CB ILE A 24 1.179 -4.170 8.803 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.696 -2.719 8.778 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.695 -4.231 8.684 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.081 -1.933 10.012 1.00 0.00 C ATOM 0 H ILE A 24 -1.300 -4.401 8.533 1.00 0.00 H new ATOM 0 HA ILE A 24 0.710 -4.471 6.718 1.00 0.00 H new ATOM 0 HB ILE A 24 0.890 -4.613 9.756 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.106 -2.223 7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.389 -2.707 8.673 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.147 -3.658 9.494 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.023 -5.269 8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.002 -3.810 7.727 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.706 -0.913 9.926 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.648 -2.405 10.894 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.167 -1.913 10.107 1.00 0.00 H new ATOM 425 N GLU A 25 0.661 -7.241 8.514 1.00 0.00 N ATOM 426 CA GLU A 25 1.161 -8.610 8.579 1.00 0.00 C ATOM 427 C GLU A 25 1.048 -9.294 7.219 1.00 0.00 C ATOM 428 O GLU A 25 1.999 -9.917 6.746 1.00 0.00 O ATOM 429 CB GLU A 25 0.388 -9.409 9.630 1.00 0.00 C ATOM 430 CG GLU A 25 0.810 -9.105 11.057 1.00 0.00 C ATOM 431 CD GLU A 25 0.062 -7.926 11.648 1.00 0.00 C ATOM 432 OE1 GLU A 25 -1.039 -7.611 11.149 1.00 0.00 O ATOM 433 OE2 GLU A 25 0.577 -7.319 12.611 1.00 0.00 O ATOM 0 H GLU A 25 -0.064 -7.024 9.198 1.00 0.00 H new ATOM 0 HA GLU A 25 2.213 -8.574 8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.676 -9.200 9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.525 -10.473 9.438 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.641 -9.985 11.677 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.880 -8.900 11.079 1.00 0.00 H new ATOM 440 N ASP A 26 -0.119 -9.174 6.598 1.00 0.00 N ATOM 441 CA ASP A 26 -0.357 -9.780 5.293 1.00 0.00 C ATOM 442 C ASP A 26 0.643 -9.264 4.264 1.00 0.00 C ATOM 443 O ASP A 26 1.093 -10.008 3.392 1.00 0.00 O ATOM 444 CB ASP A 26 -1.784 -9.492 4.825 1.00 0.00 C ATOM 445 CG ASP A 26 -2.802 -10.410 5.472 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.500 -11.610 5.634 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.902 -9.928 5.816 1.00 0.00 O ATOM 0 H ASP A 26 -0.916 -8.662 6.977 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.226 -10.858 5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.036 -8.456 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.837 -9.602 3.742 1.00 0.00 H new ATOM 452 N VAL A 27 0.987 -7.984 4.370 1.00 0.00 N ATOM 453 CA VAL A 27 1.934 -7.368 3.449 1.00 0.00 C ATOM 454 C VAL A 27 3.355 -7.853 3.714 1.00 0.00 C ATOM 455 O VAL A 27 4.045 -8.310 2.803 1.00 0.00 O ATOM 456 CB VAL A 27 1.900 -5.831 3.554 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.873 -5.207 2.565 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.489 -5.313 3.326 1.00 0.00 C ATOM 0 H VAL A 27 0.624 -7.354 5.085 1.00 0.00 H new ATOM 0 HA VAL A 27 1.635 -7.663 2.443 1.00 0.00 H new ATOM 0 HB VAL A 27 2.209 -5.545 4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.835 -4.121 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.884 -5.554 2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.598 -5.498 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.484 -4.226 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.149 -5.607 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.179 -5.734 4.078 1.00 0.00 H new ATOM 468 N GLN A 28 3.784 -7.752 4.968 1.00 0.00 N ATOM 469 CA GLN A 28 5.123 -8.181 5.353 1.00 0.00 C ATOM 470 C GLN A 28 5.392 -9.608 4.888 1.00 0.00 C ATOM 471 O GLN A 28 6.422 -9.888 4.276 1.00 0.00 O ATOM 472 CB GLN A 28 5.296 -8.085 6.870 1.00 0.00 C ATOM 473 CG GLN A 28 5.328 -6.657 7.390 1.00 0.00 C ATOM 474 CD GLN A 28 5.508 -6.587 8.893 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.560 -6.783 9.654 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.730 -6.307 9.331 1.00 0.00 N ATOM 0 H GLN A 28 3.224 -7.377 5.734 1.00 0.00 H new ATOM 0 HA GLN A 28 5.842 -7.519 4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.480 -8.621 7.355 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.221 -8.587 7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.141 -6.116 6.905 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.401 -6.153 7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.487 -6.152 8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.911 -6.247 10.333 1.00 0.00 H new ATOM 485 N ASN A 29 4.460 -10.508 5.184 1.00 0.00 N ATOM 486 CA ASN A 29 4.597 -11.907 4.796 1.00 0.00 C ATOM 487 C ASN A 29 4.612 -12.052 3.278 1.00 0.00 C ATOM 488 O ASN A 29 5.376 -12.845 2.727 1.00 0.00 O ATOM 489 CB ASN A 29 3.455 -12.736 5.387 1.00 0.00 C ATOM 490 CG ASN A 29 3.655 -13.028 6.862 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.448 -13.895 7.232 1.00 0.00 O ATOM 492 ND2 ASN A 29 2.936 -12.304 7.712 1.00 0.00 N ATOM 0 H ASN A 29 3.602 -10.293 5.691 1.00 0.00 H new ATOM 0 HA ASN A 29 5.545 -12.275 5.188 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.514 -12.203 5.249 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.372 -13.676 4.841 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.029 -12.456 8.716 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.291 -11.596 7.360 1.00 0.00 H new ATOM 499 N PHE A 30 3.764 -11.280 2.606 1.00 0.00 N ATOM 500 CA PHE A 30 3.680 -11.322 1.151 1.00 0.00 C ATOM 501 C PHE A 30 5.038 -11.031 0.519 1.00 0.00 C ATOM 502 O PHE A 30 5.533 -11.807 -0.299 1.00 0.00 O ATOM 503 CB PHE A 30 2.644 -10.313 0.650 1.00 0.00 C ATOM 504 CG PHE A 30 2.502 -10.293 -0.845 1.00 0.00 C ATOM 505 CD1 PHE A 30 3.436 -9.640 -1.634 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.436 -10.927 -1.462 1.00 0.00 C ATOM 507 CE1 PHE A 30 3.307 -9.619 -3.010 1.00 0.00 C ATOM 508 CE2 PHE A 30 1.302 -10.910 -2.837 1.00 0.00 C ATOM 509 CZ PHE A 30 2.239 -10.256 -3.613 1.00 0.00 C ATOM 0 H PHE A 30 3.125 -10.618 3.046 1.00 0.00 H new ATOM 0 HA PHE A 30 3.371 -12.325 0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.677 -10.545 1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.923 -9.317 0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.274 -9.142 -1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.701 -11.441 -0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.040 -9.105 -3.614 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.465 -11.408 -3.305 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.137 -10.242 -4.688 1.00 0.00 H new ATOM 519 N LEU A 31 5.634 -9.908 0.903 1.00 0.00 N ATOM 520 CA LEU A 31 6.934 -9.513 0.374 1.00 0.00 C ATOM 521 C LEU A 31 8.065 -10.087 1.222 1.00 0.00 C ATOM 522 O LEU A 31 9.075 -9.425 1.459 1.00 0.00 O ATOM 523 CB LEU A 31 7.044 -7.988 0.323 1.00 0.00 C ATOM 524 CG LEU A 31 6.197 -7.289 -0.740 1.00 0.00 C ATOM 525 CD1 LEU A 31 6.434 -5.787 -0.709 1.00 0.00 C ATOM 526 CD2 LEU A 31 6.503 -7.850 -2.121 1.00 0.00 C ATOM 0 H LEU A 31 5.238 -9.255 1.579 1.00 0.00 H new ATOM 0 HA LEU A 31 7.023 -9.912 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.766 -7.591 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.089 -7.724 0.158 1.00 0.00 H new ATOM 0 HG LEU A 31 5.146 -7.475 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.823 -5.306 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.163 -5.396 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.486 -5.581 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.891 -7.340 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.557 -7.695 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.281 -8.917 -2.138 1.00 0.00 H new ATOM 538 N SER A 32 7.888 -11.325 1.674 1.00 0.00 N ATOM 539 CA SER A 32 8.892 -11.989 2.496 1.00 0.00 C ATOM 540 C SER A 32 10.260 -11.950 1.821 1.00 0.00 C ATOM 541 O SER A 32 11.238 -11.478 2.401 1.00 0.00 O ATOM 542 CB SER A 32 8.484 -13.439 2.765 1.00 0.00 C ATOM 543 OG SER A 32 8.302 -14.150 1.554 1.00 0.00 O ATOM 0 H SER A 32 7.059 -11.888 1.484 1.00 0.00 H new ATOM 0 HA SER A 32 8.959 -11.456 3.445 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.249 -13.930 3.367 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.561 -13.459 3.344 1.00 0.00 H new ATOM 0 HG SER A 32 8.043 -15.074 1.753 1.00 0.00 H new ATOM 549 N ASP A 33 10.320 -12.450 0.592 1.00 0.00 N ATOM 550 CA ASP A 33 11.566 -12.472 -0.164 1.00 0.00 C ATOM 551 C ASP A 33 12.274 -11.123 -0.086 1.00 0.00 C ATOM 552 O ASP A 33 13.479 -11.029 -0.318 1.00 0.00 O ATOM 553 CB ASP A 33 11.295 -12.836 -1.625 1.00 0.00 C ATOM 554 CG ASP A 33 10.532 -14.139 -1.765 1.00 0.00 C ATOM 555 OD1 ASP A 33 11.173 -15.210 -1.710 1.00 0.00 O ATOM 556 OD2 ASP A 33 9.295 -14.088 -1.931 1.00 0.00 O ATOM 0 H ASP A 33 9.520 -12.846 0.098 1.00 0.00 H new ATOM 0 HA ASP A 33 12.215 -13.228 0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.728 -12.034 -2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.242 -12.914 -2.159 1.00 0.00 H new ATOM 561 N CYS A 34 11.516 -10.082 0.240 1.00 0.00 N ATOM 562 CA CYS A 34 12.070 -8.736 0.346 1.00 0.00 C ATOM 563 C CYS A 34 12.316 -8.364 1.804 1.00 0.00 C ATOM 564 O CYS A 34 11.757 -8.974 2.716 1.00 0.00 O ATOM 565 CB CYS A 34 11.126 -7.721 -0.300 1.00 0.00 C ATOM 566 SG CYS A 34 10.897 -7.954 -2.078 1.00 0.00 S ATOM 0 H CYS A 34 10.517 -10.144 0.435 1.00 0.00 H new ATOM 0 HA CYS A 34 13.024 -8.719 -0.181 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.155 -7.780 0.191 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.512 -6.717 -0.123 1.00 0.00 H new ATOM 0 HG CYS A 34 11.745 -7.212 -2.726 1.00 0.00 H new ATOM 572 N THR A 35 13.159 -7.358 2.019 1.00 0.00 N ATOM 573 CA THR A 35 13.482 -6.906 3.366 1.00 0.00 C ATOM 574 C THR A 35 12.895 -5.526 3.638 1.00 0.00 C ATOM 575 O THR A 35 13.573 -4.510 3.477 1.00 0.00 O ATOM 576 CB THR A 35 15.005 -6.857 3.592 1.00 0.00 C ATOM 577 OG1 THR A 35 15.574 -8.154 3.378 1.00 0.00 O ATOM 578 CG2 THR A 35 15.328 -6.382 5.001 1.00 0.00 C ATOM 0 H THR A 35 13.630 -6.841 1.277 1.00 0.00 H new ATOM 0 HA THR A 35 13.043 -7.627 4.055 1.00 0.00 H new ATOM 0 HB THR A 35 15.433 -6.151 2.881 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.543 -8.114 3.522 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.409 -6.356 5.137 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.919 -5.383 5.151 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.888 -7.067 5.726 1.00 0.00 H new ATOM 586 N ILE A 36 11.633 -5.496 4.052 1.00 0.00 N ATOM 587 CA ILE A 36 10.956 -4.239 4.348 1.00 0.00 C ATOM 588 C ILE A 36 11.715 -3.442 5.403 1.00 0.00 C ATOM 589 O ILE A 36 12.070 -3.968 6.458 1.00 0.00 O ATOM 590 CB ILE A 36 9.516 -4.477 4.838 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.702 -5.204 3.765 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.856 -3.156 5.206 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.434 -5.837 4.293 1.00 0.00 C ATOM 0 H ILE A 36 11.058 -6.327 4.190 1.00 0.00 H new ATOM 0 HA ILE A 36 10.925 -3.670 3.419 1.00 0.00 H new ATOM 0 HB ILE A 36 9.551 -5.104 5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.444 -4.498 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.322 -5.977 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.839 -3.341 5.550 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.426 -2.673 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.830 -2.506 4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.909 -6.334 3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.685 -6.568 5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.793 -5.066 4.721 1.00 0.00 H new ATOM 605 N HIS A 37 11.959 -2.168 5.112 1.00 0.00 N ATOM 606 CA HIS A 37 12.674 -1.296 6.038 1.00 0.00 C ATOM 607 C HIS A 37 11.796 -0.934 7.232 1.00 0.00 C ATOM 608 O HIS A 37 10.678 -0.444 7.067 1.00 0.00 O ATOM 609 CB HIS A 37 13.131 -0.024 5.323 1.00 0.00 C ATOM 610 CG HIS A 37 13.427 1.113 6.253 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.686 1.368 6.752 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.617 2.065 6.773 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.639 2.427 7.540 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.395 2.869 7.569 1.00 0.00 N ATOM 0 H HIS A 37 11.673 -1.717 4.243 1.00 0.00 H new ATOM 0 HA HIS A 37 13.549 -1.834 6.403 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.024 -0.246 4.739 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.358 0.285 4.619 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.557 2.172 6.595 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.475 2.858 8.070 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.065 3.677 8.097 1.00 0.00 H new ATOM 623 N ASP A 38 12.308 -1.181 8.432 1.00 0.00 N ATOM 624 CA ASP A 38 11.571 -0.881 9.655 1.00 0.00 C ATOM 625 C ASP A 38 10.323 -1.751 9.763 1.00 0.00 C ATOM 626 O ASP A 38 9.348 -1.378 10.415 1.00 0.00 O ATOM 627 CB ASP A 38 11.182 0.598 9.692 1.00 0.00 C ATOM 628 CG ASP A 38 12.386 1.515 9.607 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.495 1.015 9.327 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.218 2.734 9.820 1.00 0.00 O ATOM 0 H ASP A 38 13.231 -1.588 8.585 1.00 0.00 H new ATOM 0 HA ASP A 38 12.219 -1.099 10.504 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.506 0.814 8.865 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.636 0.804 10.613 1.00 0.00 H new ATOM 635 N GLY A 39 10.359 -2.913 9.118 1.00 0.00 N ATOM 636 CA GLY A 39 9.225 -3.817 9.153 1.00 0.00 C ATOM 637 C GLY A 39 7.898 -3.085 9.120 1.00 0.00 C ATOM 638 O GLY A 39 7.675 -2.228 8.264 1.00 0.00 O ATOM 0 H GLY A 39 11.154 -3.244 8.572 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.281 -4.499 8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.278 -4.426 10.055 1.00 0.00 H new ATOM 642 N VAL A 40 7.013 -3.422 10.053 1.00 0.00 N ATOM 643 CA VAL A 40 5.701 -2.791 10.126 1.00 0.00 C ATOM 644 C VAL A 40 5.813 -1.276 10.001 1.00 0.00 C ATOM 645 O VAL A 40 4.903 -0.615 9.500 1.00 0.00 O ATOM 646 CB VAL A 40 4.986 -3.135 11.446 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.675 -4.623 11.513 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.829 -2.704 12.637 1.00 0.00 C ATOM 0 H VAL A 40 7.181 -4.129 10.769 1.00 0.00 H new ATOM 0 HA VAL A 40 5.116 -3.179 9.293 1.00 0.00 H new ATOM 0 HB VAL A 40 4.043 -2.589 11.481 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.170 -4.847 12.453 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.029 -4.898 10.679 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.603 -5.192 11.455 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.308 -2.955 13.561 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.789 -3.220 12.609 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.995 -1.628 12.595 1.00 0.00 H new ATOM 658 N ALA A 41 6.934 -0.731 10.460 1.00 0.00 N ATOM 659 CA ALA A 41 7.167 0.707 10.398 1.00 0.00 C ATOM 660 C ALA A 41 7.676 1.122 9.022 1.00 0.00 C ATOM 661 O ALA A 41 8.335 2.150 8.877 1.00 0.00 O ATOM 662 CB ALA A 41 8.152 1.130 11.477 1.00 0.00 C ATOM 0 H ALA A 41 7.696 -1.264 10.879 1.00 0.00 H new ATOM 0 HA ALA A 41 6.217 1.211 10.572 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.316 2.206 11.418 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.748 0.877 12.457 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.099 0.610 11.330 1.00 0.00 H new ATOM 668 N GLY A 42 7.365 0.313 8.012 1.00 0.00 N ATOM 669 CA GLY A 42 7.800 0.613 6.661 1.00 0.00 C ATOM 670 C GLY A 42 6.685 0.460 5.645 1.00 0.00 C ATOM 671 O GLY A 42 6.855 0.789 4.471 1.00 0.00 O ATOM 0 H GLY A 42 6.820 -0.544 8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.183 1.633 6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.625 -0.048 6.393 1.00 0.00 H new ATOM 675 N VAL A 43 5.540 -0.041 6.097 1.00 0.00 N ATOM 676 CA VAL A 43 4.393 -0.238 5.219 1.00 0.00 C ATOM 677 C VAL A 43 3.402 0.914 5.344 1.00 0.00 C ATOM 678 O VAL A 43 2.999 1.284 6.447 1.00 0.00 O ATOM 679 CB VAL A 43 3.667 -1.561 5.531 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.481 -1.752 4.599 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.631 -2.733 5.429 1.00 0.00 C ATOM 0 H VAL A 43 5.382 -0.318 7.066 1.00 0.00 H new ATOM 0 HA VAL A 43 4.777 -0.275 4.200 1.00 0.00 H new ATOM 0 HB VAL A 43 3.291 -1.517 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.981 -2.691 4.834 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.781 -0.926 4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.830 -1.775 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.102 -3.660 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.039 -2.782 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.444 -2.598 6.142 1.00 0.00 H new ATOM 691 N HIS A 44 3.011 1.477 4.205 1.00 0.00 N ATOM 692 CA HIS A 44 2.065 2.587 4.186 1.00 0.00 C ATOM 693 C HIS A 44 0.851 2.252 3.326 1.00 0.00 C ATOM 694 O HIS A 44 0.939 2.215 2.098 1.00 0.00 O ATOM 695 CB HIS A 44 2.743 3.854 3.662 1.00 0.00 C ATOM 696 CG HIS A 44 4.014 4.193 4.378 1.00 0.00 C ATOM 697 ND1 HIS A 44 4.100 5.191 5.326 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.254 3.660 4.281 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.339 5.258 5.780 1.00 0.00 C ATOM 700 NE2 HIS A 44 6.059 4.339 5.162 1.00 0.00 N ATOM 0 H HIS A 44 3.335 1.183 3.283 1.00 0.00 H new ATOM 0 HA HIS A 44 1.727 2.761 5.207 1.00 0.00 H new ATOM 0 HB2 HIS A 44 2.956 3.730 2.600 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.050 4.691 3.752 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.555 2.851 3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.701 5.947 6.529 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.052 4.162 5.315 1.00 0.00 H new ATOM 709 N PHE A 45 -0.281 2.008 3.977 1.00 0.00 N ATOM 710 CA PHE A 45 -1.513 1.674 3.272 1.00 0.00 C ATOM 711 C PHE A 45 -2.150 2.923 2.669 1.00 0.00 C ATOM 712 O PHE A 45 -1.923 4.038 3.140 1.00 0.00 O ATOM 713 CB PHE A 45 -2.500 0.992 4.221 1.00 0.00 C ATOM 714 CG PHE A 45 -2.214 -0.467 4.436 1.00 0.00 C ATOM 715 CD1 PHE A 45 -1.307 -0.872 5.402 1.00 0.00 C ATOM 716 CD2 PHE A 45 -2.852 -1.432 3.674 1.00 0.00 C ATOM 717 CE1 PHE A 45 -1.041 -2.214 5.602 1.00 0.00 C ATOM 718 CE2 PHE A 45 -2.591 -2.775 3.870 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.684 -3.166 4.836 1.00 0.00 C ATOM 0 H PHE A 45 -0.371 2.035 4.993 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.264 0.987 2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.479 1.504 5.183 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.509 1.102 3.823 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.802 -0.132 6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.562 -1.131 2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.331 -2.517 6.357 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.095 -3.517 3.269 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.478 -4.215 4.992 1.00 0.00 H new ATOM 729 N ILE A 46 -2.947 2.727 1.624 1.00 0.00 N ATOM 730 CA ILE A 46 -3.617 3.836 0.956 1.00 0.00 C ATOM 731 C ILE A 46 -5.108 3.851 1.276 1.00 0.00 C ATOM 732 O ILE A 46 -5.769 2.813 1.248 1.00 0.00 O ATOM 733 CB ILE A 46 -3.432 3.769 -0.571 1.00 0.00 C ATOM 734 CG1 ILE A 46 -1.949 3.628 -0.922 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.022 5.006 -1.231 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.146 4.884 -0.666 1.00 0.00 C ATOM 0 H ILE A 46 -3.144 1.811 1.222 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.158 4.752 1.329 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.960 2.893 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.523 2.809 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.857 3.355 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.883 4.944 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.087 5.066 -1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.519 5.896 -0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.104 4.712 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.547 5.701 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.207 5.146 0.390 1.00 0.00 H new ATOM 748 N TYR A 47 -5.631 5.034 1.579 1.00 0.00 N ATOM 749 CA TYR A 47 -7.044 5.184 1.905 1.00 0.00 C ATOM 750 C TYR A 47 -7.738 6.106 0.907 1.00 0.00 C ATOM 751 O TYR A 47 -7.089 6.872 0.194 1.00 0.00 O ATOM 752 CB TYR A 47 -7.206 5.733 3.323 1.00 0.00 C ATOM 753 CG TYR A 47 -6.643 4.825 4.393 1.00 0.00 C ATOM 754 CD1 TYR A 47 -5.271 4.664 4.543 1.00 0.00 C ATOM 755 CD2 TYR A 47 -7.483 4.127 5.252 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.752 3.835 5.518 1.00 0.00 C ATOM 757 CE2 TYR A 47 -6.972 3.297 6.231 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.607 3.154 6.360 1.00 0.00 C ATOM 759 OH TYR A 47 -5.094 2.326 7.333 1.00 0.00 O ATOM 0 H TYR A 47 -5.097 5.903 1.606 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.511 4.201 1.848 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.714 6.703 3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.265 5.899 3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.599 5.196 3.886 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.553 4.235 5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.683 3.720 5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.639 2.763 6.892 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.829 1.923 7.840 1.00 0.00 H new ATOM 769 N THR A 48 -9.065 6.027 0.863 1.00 0.00 N ATOM 770 CA THR A 48 -9.849 6.853 -0.047 1.00 0.00 C ATOM 771 C THR A 48 -10.217 8.184 0.599 1.00 0.00 C ATOM 772 O THR A 48 -9.994 8.389 1.792 1.00 0.00 O ATOM 773 CB THR A 48 -11.138 6.135 -0.487 1.00 0.00 C ATOM 774 OG1 THR A 48 -11.960 5.860 0.652 1.00 0.00 O ATOM 775 CG2 THR A 48 -10.814 4.836 -1.210 1.00 0.00 C ATOM 0 H THR A 48 -9.618 5.400 1.447 1.00 0.00 H new ATOM 0 HA THR A 48 -9.227 7.037 -0.923 1.00 0.00 H new ATOM 0 HB THR A 48 -11.676 6.790 -1.172 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.778 5.405 0.363 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.740 4.346 -1.511 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.213 5.051 -2.094 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.256 4.178 -0.544 1.00 0.00 H new ATOM 783 N ARG A 49 -10.783 9.086 -0.197 1.00 0.00 N ATOM 784 CA ARG A 49 -11.183 10.398 0.298 1.00 0.00 C ATOM 785 C ARG A 49 -12.231 10.268 1.400 1.00 0.00 C ATOM 786 O ARG A 49 -12.341 11.132 2.269 1.00 0.00 O ATOM 787 CB ARG A 49 -11.733 11.252 -0.846 1.00 0.00 C ATOM 788 CG ARG A 49 -12.329 12.573 -0.387 1.00 0.00 C ATOM 789 CD ARG A 49 -11.250 13.619 -0.151 1.00 0.00 C ATOM 790 NE ARG A 49 -10.566 13.988 -1.388 1.00 0.00 N ATOM 791 CZ ARG A 49 -9.805 15.070 -1.512 1.00 0.00 C ATOM 792 NH1 ARG A 49 -9.631 15.883 -0.480 1.00 0.00 N ATOM 793 NH2 ARG A 49 -9.216 15.338 -2.670 1.00 0.00 N ATOM 0 H ARG A 49 -10.975 8.932 -1.187 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.302 10.885 0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.931 11.452 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.496 10.684 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.032 12.936 -1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.895 12.419 0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.697 14.507 0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.523 13.235 0.565 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.679 13.382 -2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.082 15.679 0.412 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.046 16.713 -0.578 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.347 14.713 -3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.632 16.169 -2.765 1.00 0.00 H new ATOM 807 N GLU A 50 -12.997 9.182 1.355 1.00 0.00 N ATOM 808 CA GLU A 50 -14.036 8.941 2.349 1.00 0.00 C ATOM 809 C GLU A 50 -13.441 8.363 3.630 1.00 0.00 C ATOM 810 O GLU A 50 -13.895 8.669 4.731 1.00 0.00 O ATOM 811 CB GLU A 50 -15.095 7.988 1.791 1.00 0.00 C ATOM 812 CG GLU A 50 -15.969 8.611 0.715 1.00 0.00 C ATOM 813 CD GLU A 50 -17.287 7.881 0.539 1.00 0.00 C ATOM 814 OE1 GLU A 50 -18.023 7.737 1.537 1.00 0.00 O ATOM 815 OE2 GLU A 50 -17.581 7.455 -0.598 1.00 0.00 O ATOM 0 H GLU A 50 -12.918 8.457 0.642 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.505 9.896 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.600 7.108 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.729 7.644 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.166 9.652 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.429 8.611 -0.232 1.00 0.00 H new ATOM 822 N GLY A 51 -12.420 7.525 3.476 1.00 0.00 N ATOM 823 CA GLY A 51 -11.779 6.917 4.627 1.00 0.00 C ATOM 824 C GLY A 51 -11.815 5.403 4.578 1.00 0.00 C ATOM 825 O GLY A 51 -11.943 4.744 5.611 1.00 0.00 O ATOM 0 H GLY A 51 -12.026 7.257 2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.743 7.251 4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.272 7.260 5.537 1.00 0.00 H new ATOM 829 N ARG A 52 -11.704 4.848 3.376 1.00 0.00 N ATOM 830 CA ARG A 52 -11.727 3.402 3.196 1.00 0.00 C ATOM 831 C ARG A 52 -10.423 2.910 2.575 1.00 0.00 C ATOM 832 O ARG A 52 -9.708 3.672 1.926 1.00 0.00 O ATOM 833 CB ARG A 52 -12.909 2.995 2.314 1.00 0.00 C ATOM 834 CG ARG A 52 -14.251 3.494 2.826 1.00 0.00 C ATOM 835 CD ARG A 52 -15.395 2.627 2.325 1.00 0.00 C ATOM 836 NE ARG A 52 -16.526 2.625 3.250 1.00 0.00 N ATOM 837 CZ ARG A 52 -17.768 2.321 2.891 1.00 0.00 C ATOM 838 NH1 ARG A 52 -18.038 1.994 1.635 1.00 0.00 N ATOM 839 NH2 ARG A 52 -18.744 2.342 3.790 1.00 0.00 N ATOM 0 H ARG A 52 -11.597 5.379 2.511 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.839 2.941 4.177 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.749 3.379 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.939 1.908 2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.247 3.499 3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.405 4.524 2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.724 2.988 1.351 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.041 1.606 2.183 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.352 2.870 4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.291 1.975 0.941 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.993 1.761 1.363 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.541 2.592 4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.698 2.108 3.513 1.00 0.00 H new ATOM 853 N GLN A 53 -10.121 1.632 2.781 1.00 0.00 N ATOM 854 CA GLN A 53 -8.902 1.040 2.243 1.00 0.00 C ATOM 855 C GLN A 53 -8.957 0.971 0.720 1.00 0.00 C ATOM 856 O GLN A 53 -9.407 -0.023 0.149 1.00 0.00 O ATOM 857 CB GLN A 53 -8.692 -0.361 2.821 1.00 0.00 C ATOM 858 CG GLN A 53 -8.004 -0.362 4.176 1.00 0.00 C ATOM 859 CD GLN A 53 -7.233 -1.641 4.438 1.00 0.00 C ATOM 860 OE1 GLN A 53 -7.390 -2.271 5.485 1.00 0.00 O ATOM 861 NE2 GLN A 53 -6.394 -2.033 3.486 1.00 0.00 N ATOM 0 H GLN A 53 -10.703 0.987 3.316 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.063 1.674 2.530 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.659 -0.856 2.913 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.098 -0.949 2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.323 0.487 4.234 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.751 -0.225 4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.295 -1.481 2.634 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.849 -2.886 3.607 1.00 0.00 H new ATOM 870 N SER A 54 -8.496 2.033 0.067 1.00 0.00 N ATOM 871 CA SER A 54 -8.496 2.095 -1.389 1.00 0.00 C ATOM 872 C SER A 54 -7.985 0.788 -1.989 1.00 0.00 C ATOM 873 O SER A 54 -8.432 0.364 -3.053 1.00 0.00 O ATOM 874 CB SER A 54 -7.633 3.262 -1.872 1.00 0.00 C ATOM 875 OG SER A 54 -7.783 4.390 -1.027 1.00 0.00 O ATOM 0 H SER A 54 -8.118 2.863 0.524 1.00 0.00 H new ATOM 0 HA SER A 54 -9.523 2.250 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.586 2.959 -1.897 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.912 3.528 -2.892 1.00 0.00 H new ATOM 0 HG SER A 54 -7.649 5.209 -1.548 1.00 0.00 H new ATOM 881 N GLY A 55 -7.044 0.154 -1.296 1.00 0.00 N ATOM 882 CA GLY A 55 -6.487 -1.097 -1.774 1.00 0.00 C ATOM 883 C GLY A 55 -4.985 -1.027 -1.966 1.00 0.00 C ATOM 884 O GLY A 55 -4.266 -1.971 -1.638 1.00 0.00 O ATOM 0 H GLY A 55 -6.658 0.485 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.723 -1.891 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.959 -1.364 -2.720 1.00 0.00 H new ATOM 888 N GLU A 56 -4.510 0.093 -2.502 1.00 0.00 N ATOM 889 CA GLU A 56 -3.084 0.280 -2.740 1.00 0.00 C ATOM 890 C GLU A 56 -2.335 0.483 -1.425 1.00 0.00 C ATOM 891 O GLU A 56 -2.869 1.057 -0.477 1.00 0.00 O ATOM 892 CB GLU A 56 -2.851 1.478 -3.662 1.00 0.00 C ATOM 893 CG GLU A 56 -3.298 1.240 -5.094 1.00 0.00 C ATOM 894 CD GLU A 56 -4.735 1.662 -5.335 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.977 2.876 -5.501 1.00 0.00 O ATOM 896 OE2 GLU A 56 -5.617 0.778 -5.357 1.00 0.00 O ATOM 0 H GLU A 56 -5.092 0.884 -2.779 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.701 -0.620 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.383 2.342 -3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.790 1.728 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.644 1.789 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.189 0.182 -5.334 1.00 0.00 H new ATOM 903 N ALA A 57 -1.095 0.008 -1.378 1.00 0.00 N ATOM 904 CA ALA A 57 -0.272 0.138 -0.182 1.00 0.00 C ATOM 905 C ALA A 57 1.212 0.093 -0.529 1.00 0.00 C ATOM 906 O ALA A 57 1.710 -0.910 -1.041 1.00 0.00 O ATOM 907 CB ALA A 57 -0.615 -0.957 0.817 1.00 0.00 C ATOM 0 H ALA A 57 -0.638 -0.470 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.484 1.107 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.007 -0.847 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.665 -0.877 1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.433 -1.932 0.365 1.00 0.00 H new ATOM 913 N PHE A 58 1.914 1.186 -0.249 1.00 0.00 N ATOM 914 CA PHE A 58 3.342 1.272 -0.533 1.00 0.00 C ATOM 915 C PHE A 58 4.155 0.569 0.550 1.00 0.00 C ATOM 916 O PHE A 58 3.742 0.501 1.707 1.00 0.00 O ATOM 917 CB PHE A 58 3.774 2.735 -0.643 1.00 0.00 C ATOM 918 CG PHE A 58 3.250 3.425 -1.870 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.915 3.782 -1.963 1.00 0.00 C ATOM 920 CD2 PHE A 58 4.094 3.717 -2.930 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.430 4.415 -3.091 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.615 4.351 -4.061 1.00 0.00 C ATOM 923 CZ PHE A 58 2.281 4.702 -4.141 1.00 0.00 C ATOM 0 H PHE A 58 1.517 2.025 0.174 1.00 0.00 H new ATOM 0 HA PHE A 58 3.529 0.773 -1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.432 3.274 0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.863 2.785 -0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.246 3.563 -1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.138 3.446 -2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.386 4.685 -3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.282 4.572 -4.881 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.904 5.200 -5.022 1.00 0.00 H new ATOM 933 N VAL A 59 5.315 0.046 0.165 1.00 0.00 N ATOM 934 CA VAL A 59 6.188 -0.651 1.101 1.00 0.00 C ATOM 935 C VAL A 59 7.646 -0.256 0.893 1.00 0.00 C ATOM 936 O VAL A 59 8.143 -0.255 -0.232 1.00 0.00 O ATOM 937 CB VAL A 59 6.057 -2.179 0.960 1.00 0.00 C ATOM 938 CG1 VAL A 59 6.993 -2.888 1.927 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.616 -2.613 1.185 1.00 0.00 C ATOM 0 H VAL A 59 5.672 0.092 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 59 5.875 -0.358 2.103 1.00 0.00 H new ATOM 0 HB VAL A 59 6.343 -2.458 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.886 -3.967 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.023 -2.601 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.742 -2.605 2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.542 -3.696 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.300 -2.322 2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.972 -2.133 0.448 1.00 0.00 H new ATOM 949 N GLU A 60 8.325 0.079 1.986 1.00 0.00 N ATOM 950 CA GLU A 60 9.726 0.476 1.922 1.00 0.00 C ATOM 951 C GLU A 60 10.643 -0.735 2.069 1.00 0.00 C ATOM 952 O GLU A 60 10.442 -1.577 2.946 1.00 0.00 O ATOM 953 CB GLU A 60 10.039 1.502 3.013 1.00 0.00 C ATOM 954 CG GLU A 60 9.395 2.858 2.776 1.00 0.00 C ATOM 955 CD GLU A 60 9.678 3.842 3.895 1.00 0.00 C ATOM 956 OE1 GLU A 60 9.953 3.391 5.026 1.00 0.00 O ATOM 957 OE2 GLU A 60 9.626 5.063 3.637 1.00 0.00 O ATOM 0 H GLU A 60 7.927 0.083 2.925 1.00 0.00 H new ATOM 0 HA GLU A 60 9.904 0.928 0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.703 1.112 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.119 1.629 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.759 3.269 1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.317 2.731 2.673 1.00 0.00 H new ATOM 964 N LEU A 61 11.649 -0.817 1.206 1.00 0.00 N ATOM 965 CA LEU A 61 12.597 -1.925 1.239 1.00 0.00 C ATOM 966 C LEU A 61 13.912 -1.498 1.883 1.00 0.00 C ATOM 967 O LEU A 61 14.086 -0.335 2.247 1.00 0.00 O ATOM 968 CB LEU A 61 12.855 -2.444 -0.177 1.00 0.00 C ATOM 969 CG LEU A 61 11.615 -2.807 -0.995 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.003 -3.172 -2.419 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.857 -3.950 -0.336 1.00 0.00 C ATOM 0 H LEU A 61 11.830 -0.129 0.475 1.00 0.00 H new ATOM 0 HA LEU A 61 12.162 -2.724 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.417 -1.687 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.492 -3.326 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 61 10.960 -1.937 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.108 -3.427 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.501 -2.324 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.679 -4.027 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.978 -4.195 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.504 -4.824 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.545 -3.651 0.665 1.00 0.00 H new ATOM 983 N GLU A 62 14.834 -2.446 2.019 1.00 0.00 N ATOM 984 CA GLU A 62 16.133 -2.166 2.619 1.00 0.00 C ATOM 985 C GLU A 62 17.155 -1.785 1.551 1.00 0.00 C ATOM 986 O GLU A 62 17.867 -0.790 1.684 1.00 0.00 O ATOM 987 CB GLU A 62 16.630 -3.381 3.405 1.00 0.00 C ATOM 988 CG GLU A 62 18.002 -3.185 4.026 1.00 0.00 C ATOM 989 CD GLU A 62 18.679 -4.497 4.373 1.00 0.00 C ATOM 990 OE1 GLU A 62 18.402 -5.036 5.465 1.00 0.00 O ATOM 991 OE2 GLU A 62 19.484 -4.986 3.553 1.00 0.00 O ATOM 0 H GLU A 62 14.706 -3.413 1.722 1.00 0.00 H new ATOM 0 HA GLU A 62 16.015 -1.324 3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.913 -3.611 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.661 -4.245 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.633 -2.627 3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.905 -2.581 4.928 1.00 0.00 H new ATOM 998 N SER A 63 17.220 -2.585 0.491 1.00 0.00 N ATOM 999 CA SER A 63 18.157 -2.336 -0.598 1.00 0.00 C ATOM 1000 C SER A 63 17.471 -2.499 -1.952 1.00 0.00 C ATOM 1001 O SER A 63 16.287 -2.824 -2.024 1.00 0.00 O ATOM 1002 CB SER A 63 19.350 -3.288 -0.501 1.00 0.00 C ATOM 1003 OG SER A 63 19.904 -3.280 0.804 1.00 0.00 O ATOM 0 H SER A 63 16.635 -3.411 0.364 1.00 0.00 H new ATOM 0 HA SER A 63 18.513 -1.309 -0.511 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.035 -4.299 -0.759 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.111 -2.997 -1.225 1.00 0.00 H new ATOM 0 HG SER A 63 20.664 -3.898 0.841 1.00 0.00 H new ATOM 1009 N GLU A 64 18.226 -2.269 -3.021 1.00 0.00 N ATOM 1010 CA GLU A 64 17.692 -2.389 -4.373 1.00 0.00 C ATOM 1011 C GLU A 64 17.181 -3.804 -4.632 1.00 0.00 C ATOM 1012 O GLU A 64 16.011 -4.002 -4.961 1.00 0.00 O ATOM 1013 CB GLU A 64 18.763 -2.025 -5.403 1.00 0.00 C ATOM 1014 CG GLU A 64 18.218 -1.847 -6.810 1.00 0.00 C ATOM 1015 CD GLU A 64 19.234 -1.238 -7.756 1.00 0.00 C ATOM 1016 OE1 GLU A 64 19.716 -0.122 -7.470 1.00 0.00 O ATOM 1017 OE2 GLU A 64 19.548 -1.876 -8.783 1.00 0.00 O ATOM 0 H GLU A 64 19.209 -1.999 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 64 16.856 -1.696 -4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.254 -1.103 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.525 -2.804 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.901 -2.815 -7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.333 -1.212 -6.775 1.00 0.00 H new ATOM 1024 N ASP A 65 18.066 -4.783 -4.482 1.00 0.00 N ATOM 1025 CA ASP A 65 17.705 -6.179 -4.699 1.00 0.00 C ATOM 1026 C ASP A 65 16.265 -6.441 -4.271 1.00 0.00 C ATOM 1027 O ASP A 65 15.510 -7.113 -4.975 1.00 0.00 O ATOM 1028 CB ASP A 65 18.655 -7.099 -3.930 1.00 0.00 C ATOM 1029 CG ASP A 65 19.923 -7.400 -4.704 1.00 0.00 C ATOM 1030 OD1 ASP A 65 19.872 -7.392 -5.951 1.00 0.00 O ATOM 1031 OD2 ASP A 65 20.966 -7.646 -4.062 1.00 0.00 O ATOM 0 H ASP A 65 19.038 -4.636 -4.211 1.00 0.00 H new ATOM 0 HA ASP A 65 17.792 -6.390 -5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 65 18.915 -6.634 -2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.143 -8.033 -3.699 1.00 0.00 H new ATOM 1036 N ASP A 66 15.891 -5.908 -3.113 1.00 0.00 N ATOM 1037 CA ASP A 66 14.541 -6.085 -2.591 1.00 0.00 C ATOM 1038 C ASP A 66 13.499 -5.733 -3.648 1.00 0.00 C ATOM 1039 O ASP A 66 12.571 -6.502 -3.900 1.00 0.00 O ATOM 1040 CB ASP A 66 14.335 -5.219 -1.347 1.00 0.00 C ATOM 1041 CG ASP A 66 15.182 -5.679 -0.175 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.505 -6.884 -0.113 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.521 -4.833 0.678 1.00 0.00 O ATOM 0 H ASP A 66 16.504 -5.350 -2.518 1.00 0.00 H new ATOM 0 HA ASP A 66 14.418 -7.133 -2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.579 -4.184 -1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.283 -5.241 -1.062 1.00 0.00 H new ATOM 1048 N VAL A 67 13.658 -4.565 -4.263 1.00 0.00 N ATOM 1049 CA VAL A 67 12.731 -4.111 -5.293 1.00 0.00 C ATOM 1050 C VAL A 67 12.578 -5.155 -6.393 1.00 0.00 C ATOM 1051 O VAL A 67 11.486 -5.675 -6.623 1.00 0.00 O ATOM 1052 CB VAL A 67 13.196 -2.784 -5.921 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.191 -2.301 -6.955 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.413 -1.732 -4.843 1.00 0.00 C ATOM 0 H VAL A 67 14.420 -3.916 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 67 11.768 -3.956 -4.806 1.00 0.00 H new ATOM 0 HB VAL A 67 14.147 -2.955 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.537 -1.362 -7.388 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.091 -3.048 -7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.224 -2.146 -6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.741 -0.801 -5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.479 -1.562 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.174 -2.079 -4.144 1.00 0.00 H new ATOM 1064 N LYS A 68 13.680 -5.459 -7.070 1.00 0.00 N ATOM 1065 CA LYS A 68 13.670 -6.443 -8.146 1.00 0.00 C ATOM 1066 C LYS A 68 12.889 -7.688 -7.738 1.00 0.00 C ATOM 1067 O LYS A 68 12.079 -8.206 -8.508 1.00 0.00 O ATOM 1068 CB LYS A 68 15.102 -6.828 -8.526 1.00 0.00 C ATOM 1069 CG LYS A 68 15.971 -5.640 -8.901 1.00 0.00 C ATOM 1070 CD LYS A 68 17.406 -6.063 -9.170 1.00 0.00 C ATOM 1071 CE LYS A 68 18.355 -4.875 -9.121 1.00 0.00 C ATOM 1072 NZ LYS A 68 19.595 -5.123 -9.908 1.00 0.00 N ATOM 0 H LYS A 68 14.592 -5.038 -6.892 1.00 0.00 H new ATOM 0 HA LYS A 68 13.179 -5.995 -9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.562 -7.355 -7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.072 -7.525 -9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.562 -5.154 -9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.952 -4.905 -8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.712 -6.805 -8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.469 -6.540 -10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.850 -3.990 -9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.619 -4.663 -8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.216 -4.290 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.091 -5.952 -9.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.346 -5.300 -10.902 1.00 0.00 H new ATOM 1086 N LEU A 69 13.136 -8.164 -6.522 1.00 0.00 N ATOM 1087 CA LEU A 69 12.455 -9.348 -6.011 1.00 0.00 C ATOM 1088 C LEU A 69 10.961 -9.087 -5.844 1.00 0.00 C ATOM 1089 O LEU A 69 10.130 -9.878 -6.290 1.00 0.00 O ATOM 1090 CB LEU A 69 13.063 -9.772 -4.673 1.00 0.00 C ATOM 1091 CG LEU A 69 14.553 -10.112 -4.690 1.00 0.00 C ATOM 1092 CD1 LEU A 69 15.089 -10.235 -3.272 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.799 -11.396 -5.468 1.00 0.00 C ATOM 0 H LEU A 69 13.803 -7.748 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 69 12.586 -10.153 -6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.902 -8.969 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.517 -10.642 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 69 15.085 -9.302 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.151 -10.477 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.948 -9.290 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.552 -11.025 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.865 -11.622 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.255 -12.216 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.453 -11.272 -6.494 1.00 0.00 H new ATOM 1105 N ALA A 70 10.628 -7.973 -5.202 1.00 0.00 N ATOM 1106 CA ALA A 70 9.235 -7.606 -4.980 1.00 0.00 C ATOM 1107 C ALA A 70 8.437 -7.675 -6.278 1.00 0.00 C ATOM 1108 O ALA A 70 7.335 -8.224 -6.312 1.00 0.00 O ATOM 1109 CB ALA A 70 9.146 -6.212 -4.377 1.00 0.00 C ATOM 0 H ALA A 70 11.304 -7.308 -4.826 1.00 0.00 H new ATOM 0 HA ALA A 70 8.803 -8.321 -4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.100 -5.951 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.675 -6.193 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.599 -5.491 -5.058 1.00 0.00 H new ATOM 1115 N LEU A 71 8.998 -7.114 -7.343 1.00 0.00 N ATOM 1116 CA LEU A 71 8.338 -7.111 -8.644 1.00 0.00 C ATOM 1117 C LEU A 71 8.010 -8.532 -9.091 1.00 0.00 C ATOM 1118 O LEU A 71 7.115 -8.747 -9.909 1.00 0.00 O ATOM 1119 CB LEU A 71 9.224 -6.429 -9.687 1.00 0.00 C ATOM 1120 CG LEU A 71 9.505 -4.943 -9.460 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.571 -4.447 -10.424 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.228 -4.130 -9.610 1.00 0.00 C ATOM 0 H LEU A 71 9.909 -6.655 -7.332 1.00 0.00 H new ATOM 0 HA LEU A 71 7.406 -6.554 -8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.177 -6.957 -9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.755 -6.545 -10.664 1.00 0.00 H new ATOM 0 HG LEU A 71 9.877 -4.815 -8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.757 -3.388 -10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.492 -5.008 -10.268 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.229 -4.589 -11.449 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.447 -3.075 -9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.827 -4.265 -10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.494 -4.467 -8.878 1.00 0.00 H new ATOM 1134 N LYS A 72 8.738 -9.501 -8.547 1.00 0.00 N ATOM 1135 CA LYS A 72 8.523 -10.903 -8.886 1.00 0.00 C ATOM 1136 C LYS A 72 7.221 -11.416 -8.279 1.00 0.00 C ATOM 1137 O LYS A 72 6.682 -12.436 -8.711 1.00 0.00 O ATOM 1138 CB LYS A 72 9.697 -11.754 -8.395 1.00 0.00 C ATOM 1139 CG LYS A 72 11.052 -11.239 -8.847 1.00 0.00 C ATOM 1140 CD LYS A 72 12.168 -12.196 -8.463 1.00 0.00 C ATOM 1141 CE LYS A 72 13.534 -11.631 -8.822 1.00 0.00 C ATOM 1142 NZ LYS A 72 13.927 -11.973 -10.217 1.00 0.00 N ATOM 0 H LYS A 72 9.483 -9.341 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 72 8.454 -10.982 -9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.677 -11.792 -7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.568 -12.776 -8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.047 -11.099 -9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.239 -10.263 -8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.125 -12.396 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.022 -13.149 -8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.521 -10.548 -8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.281 -12.019 -8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.863 -11.570 -10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.964 -13.007 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.228 -11.581 -10.880 1.00 0.00 H new ATOM 1156 N LYS A 73 6.719 -10.702 -7.278 1.00 0.00 N ATOM 1157 CA LYS A 73 5.478 -11.083 -6.613 1.00 0.00 C ATOM 1158 C LYS A 73 4.268 -10.544 -7.370 1.00 0.00 C ATOM 1159 O LYS A 73 3.175 -10.433 -6.813 1.00 0.00 O ATOM 1160 CB LYS A 73 5.466 -10.563 -5.174 1.00 0.00 C ATOM 1161 CG LYS A 73 6.795 -10.726 -4.457 1.00 0.00 C ATOM 1162 CD LYS A 73 7.059 -12.178 -4.094 1.00 0.00 C ATOM 1163 CE LYS A 73 6.287 -12.590 -2.850 1.00 0.00 C ATOM 1164 NZ LYS A 73 5.934 -14.037 -2.870 1.00 0.00 N ATOM 0 H LYS A 73 7.152 -9.856 -6.909 1.00 0.00 H new ATOM 0 HA LYS A 73 5.421 -12.171 -6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.193 -9.508 -5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.693 -11.089 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.600 -10.357 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.798 -10.118 -3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.776 -12.820 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.126 -12.324 -3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.884 -12.374 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.377 -11.995 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.594 -14.324 -1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.187 -14.202 -3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.775 -14.596 -3.120 1.00 0.00 H new ATOM 1178 N ASP A 74 4.470 -10.212 -8.640 1.00 0.00 N ATOM 1179 CA ASP A 74 3.395 -9.688 -9.473 1.00 0.00 C ATOM 1180 C ASP A 74 2.315 -10.742 -9.695 1.00 0.00 C ATOM 1181 O ASP A 74 2.537 -11.931 -9.464 1.00 0.00 O ATOM 1182 CB ASP A 74 3.948 -9.216 -10.819 1.00 0.00 C ATOM 1183 CG ASP A 74 3.973 -10.322 -11.855 1.00 0.00 C ATOM 1184 OD1 ASP A 74 4.226 -11.485 -11.475 1.00 0.00 O ATOM 1185 OD2 ASP A 74 3.738 -10.026 -13.045 1.00 0.00 O ATOM 0 H ASP A 74 5.369 -10.297 -9.115 1.00 0.00 H new ATOM 0 HA ASP A 74 2.948 -8.840 -8.954 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.340 -8.390 -11.188 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.958 -8.831 -10.679 1.00 0.00 H new ATOM 1190 N ARG A 75 1.144 -10.298 -10.143 1.00 0.00 N ATOM 1191 CA ARG A 75 0.029 -11.203 -10.393 1.00 0.00 C ATOM 1192 C ARG A 75 0.040 -12.365 -9.404 1.00 0.00 C ATOM 1193 O ARG A 75 -0.292 -13.496 -9.757 1.00 0.00 O ATOM 1194 CB ARG A 75 0.090 -11.738 -11.825 1.00 0.00 C ATOM 1195 CG ARG A 75 0.957 -12.978 -11.975 1.00 0.00 C ATOM 1196 CD ARG A 75 1.595 -13.047 -13.354 1.00 0.00 C ATOM 1197 NE ARG A 75 2.871 -13.756 -13.332 1.00 0.00 N ATOM 1198 CZ ARG A 75 3.494 -14.184 -14.424 1.00 0.00 C ATOM 1199 NH1 ARG A 75 2.960 -13.975 -15.620 1.00 0.00 N ATOM 1200 NH2 ARG A 75 4.653 -14.821 -14.322 1.00 0.00 N ATOM 0 H ARG A 75 0.944 -9.317 -10.340 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.897 -10.644 -10.260 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.921 -11.969 -12.161 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.473 -10.956 -12.480 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.736 -12.974 -11.212 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.352 -13.869 -11.808 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.915 -13.547 -14.044 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.748 -12.037 -13.733 1.00 0.00 H new ATOM 0 HE ARG A 75 3.308 -13.932 -12.428 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.069 -13.485 -15.702 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.440 -14.304 -16.457 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.067 -14.983 -13.404 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.130 -15.149 -15.162 1.00 0.00 H new ATOM 1214 N GLU A 76 0.423 -12.077 -8.164 1.00 0.00 N ATOM 1215 CA GLU A 76 0.477 -13.098 -7.125 1.00 0.00 C ATOM 1216 C GLU A 76 -0.885 -13.270 -6.458 1.00 0.00 C ATOM 1217 O GLU A 76 -1.862 -12.630 -6.846 1.00 0.00 O ATOM 1218 CB GLU A 76 1.529 -12.734 -6.074 1.00 0.00 C ATOM 1219 CG GLU A 76 2.926 -13.223 -6.417 1.00 0.00 C ATOM 1220 CD GLU A 76 3.122 -14.694 -6.104 1.00 0.00 C ATOM 1221 OE1 GLU A 76 3.537 -15.009 -4.970 1.00 0.00 O ATOM 1222 OE2 GLU A 76 2.861 -15.529 -6.995 1.00 0.00 O ATOM 0 H GLU A 76 0.700 -11.145 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 76 0.754 -14.042 -7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.551 -11.651 -5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.232 -13.155 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.117 -13.052 -7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.659 -12.637 -5.863 1.00 0.00 H new ATOM 1229 N SER A 77 -0.940 -14.139 -5.454 1.00 0.00 N ATOM 1230 CA SER A 77 -2.183 -14.399 -4.736 1.00 0.00 C ATOM 1231 C SER A 77 -1.964 -14.327 -3.228 1.00 0.00 C ATOM 1232 O SER A 77 -1.225 -15.129 -2.658 1.00 0.00 O ATOM 1233 CB SER A 77 -2.739 -15.772 -5.117 1.00 0.00 C ATOM 1234 OG SER A 77 -1.800 -16.797 -4.841 1.00 0.00 O ATOM 0 H SER A 77 -0.139 -14.675 -5.119 1.00 0.00 H new ATOM 0 HA SER A 77 -2.904 -13.632 -5.018 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.660 -15.960 -4.566 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.994 -15.783 -6.177 1.00 0.00 H new ATOM 0 HG SER A 77 -1.249 -16.538 -4.073 1.00 0.00 H new ATOM 1240 N MET A 78 -2.612 -13.359 -2.588 1.00 0.00 N ATOM 1241 CA MET A 78 -2.490 -13.182 -1.146 1.00 0.00 C ATOM 1242 C MET A 78 -3.736 -13.690 -0.428 1.00 0.00 C ATOM 1243 O MET A 78 -4.779 -13.038 -0.439 1.00 0.00 O ATOM 1244 CB MET A 78 -2.259 -11.708 -0.809 1.00 0.00 C ATOM 1245 CG MET A 78 -2.353 -11.401 0.677 1.00 0.00 C ATOM 1246 SD MET A 78 -2.528 -9.639 1.013 1.00 0.00 S ATOM 1247 CE MET A 78 -0.819 -9.108 0.931 1.00 0.00 C ATOM 0 H MET A 78 -3.227 -12.686 -3.045 1.00 0.00 H new ATOM 0 HA MET A 78 -1.633 -13.764 -0.806 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.275 -11.411 -1.171 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.991 -11.103 -1.343 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.204 -11.934 1.101 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.461 -11.776 1.178 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.675 -8.245 1.581 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.170 -9.920 1.257 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.572 -8.835 -0.095 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.620 -14.859 0.195 1.00 0.00 N ATOM 1258 CA GLY A 79 -4.745 -15.434 0.909 1.00 0.00 C ATOM 1259 C GLY A 79 -5.796 -16.001 -0.025 1.00 0.00 C ATOM 1260 O GLY A 79 -5.774 -17.189 -0.349 1.00 0.00 O ATOM 0 H GLY A 79 -2.767 -15.418 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.387 -16.223 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.199 -14.671 1.541 1.00 0.00 H new ATOM 1264 N HIS A 80 -6.720 -15.150 -0.460 1.00 0.00 N ATOM 1265 CA HIS A 80 -7.785 -15.573 -1.362 1.00 0.00 C ATOM 1266 C HIS A 80 -7.956 -14.577 -2.506 1.00 0.00 C ATOM 1267 O HIS A 80 -8.809 -14.756 -3.375 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.101 -15.720 -0.598 1.00 0.00 C ATOM 1269 CG HIS A 80 -10.314 -15.648 -1.474 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -11.022 -14.484 -1.685 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -10.942 -16.605 -2.196 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -12.034 -14.728 -2.498 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -12.008 -16.008 -2.823 1.00 0.00 N ATOM 0 H HIS A 80 -6.753 -14.164 -0.202 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.508 -16.539 -1.783 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.100 -16.674 -0.070 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.162 -14.937 0.158 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.658 -17.645 -2.266 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.759 -14.004 -2.839 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.672 -16.477 -3.439 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.139 -13.528 -2.498 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.202 -12.504 -3.533 1.00 0.00 C ATOM 1284 C ARG A 81 -5.863 -12.379 -4.256 1.00 0.00 C ATOM 1285 O ARG A 81 -4.888 -13.039 -3.896 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.592 -11.156 -2.923 1.00 0.00 C ATOM 1287 CG ARG A 81 -8.958 -11.162 -2.257 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.506 -9.752 -2.098 1.00 0.00 C ATOM 1289 NE ARG A 81 -10.869 -9.750 -1.575 1.00 0.00 N ATOM 1290 CZ ARG A 81 -11.935 -10.078 -2.298 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -11.794 -10.431 -3.569 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -13.143 -10.052 -1.751 1.00 0.00 N ATOM 0 H ARG A 81 -6.426 -13.366 -1.786 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.961 -12.801 -4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.840 -10.868 -2.188 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.581 -10.396 -3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.651 -11.758 -2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.885 -11.638 -1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.860 -9.186 -1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.487 -9.245 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.011 -9.482 -0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.866 -10.451 -3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.613 -10.682 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.255 -9.780 -0.774 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.960 -10.304 -2.307 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.825 -11.529 -5.276 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.608 -11.320 -6.051 1.00 0.00 C ATOM 1308 C TYR A 82 -3.942 -10.000 -5.674 1.00 0.00 C ATOM 1309 O TYR A 82 -4.614 -9.036 -5.306 1.00 0.00 O ATOM 1310 CB TYR A 82 -4.923 -11.336 -7.548 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.812 -12.707 -8.175 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.742 -13.699 -7.891 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.778 -13.010 -9.052 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.645 -14.954 -8.462 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.673 -14.261 -9.628 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.609 -15.230 -9.329 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.509 -16.478 -9.900 1.00 0.00 O ATOM 0 H TYR A 82 -6.623 -10.974 -5.585 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.918 -12.132 -5.823 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.933 -10.956 -7.702 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.244 -10.655 -8.061 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.555 -13.486 -7.212 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.043 -12.254 -9.288 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.376 -15.714 -8.230 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.863 -14.480 -10.308 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.724 -16.507 -10.487 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.618 -9.964 -5.770 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.860 -8.763 -5.441 1.00 0.00 C ATOM 1329 C ILE A 83 -0.951 -8.353 -6.595 1.00 0.00 C ATOM 1330 O ILE A 83 -0.121 -9.138 -7.052 1.00 0.00 O ATOM 1331 CB ILE A 83 -1.005 -8.966 -4.176 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.839 -9.611 -3.068 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.429 -7.637 -3.708 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.124 -8.871 -2.769 1.00 0.00 C ATOM 0 H ILE A 83 -2.047 -10.753 -6.073 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.587 -7.972 -5.256 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.178 -9.634 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.077 -10.635 -3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.240 -9.665 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.173 -7.796 -2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.195 -7.214 -4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.242 -6.948 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.663 -9.385 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.893 -7.854 -2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.743 -8.840 -3.666 1.00 0.00 H new ATOM 1346 N GLU A 84 -1.115 -7.118 -7.059 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.308 -6.604 -8.160 1.00 0.00 C ATOM 1348 C GLU A 84 0.812 -5.707 -7.640 1.00 0.00 C ATOM 1349 O GLU A 84 0.564 -4.737 -6.924 1.00 0.00 O ATOM 1350 CB GLU A 84 -1.184 -5.826 -9.144 1.00 0.00 C ATOM 1351 CG GLU A 84 -2.230 -6.684 -9.837 1.00 0.00 C ATOM 1352 CD GLU A 84 -3.208 -5.864 -10.655 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -2.752 -5.107 -11.539 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -4.427 -5.978 -10.413 1.00 0.00 O ATOM 0 H GLU A 84 -1.798 -6.456 -6.691 1.00 0.00 H new ATOM 0 HA GLU A 84 0.139 -7.453 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.684 -5.017 -8.611 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.547 -5.364 -9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.732 -7.403 -10.487 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.778 -7.257 -9.089 1.00 0.00 H new ATOM 1361 N VAL A 85 2.046 -6.039 -8.007 1.00 0.00 N ATOM 1362 CA VAL A 85 3.205 -5.264 -7.579 1.00 0.00 C ATOM 1363 C VAL A 85 3.544 -4.178 -8.593 1.00 0.00 C ATOM 1364 O VAL A 85 3.494 -4.405 -9.802 1.00 0.00 O ATOM 1365 CB VAL A 85 4.438 -6.165 -7.375 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.636 -5.338 -6.935 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.136 -7.260 -6.364 1.00 0.00 C ATOM 0 H VAL A 85 2.269 -6.839 -8.599 1.00 0.00 H new ATOM 0 HA VAL A 85 2.943 -4.800 -6.628 1.00 0.00 H new ATOM 0 HB VAL A 85 4.682 -6.638 -8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.498 -5.991 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.864 -4.594 -7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.406 -4.836 -5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.018 -7.887 -6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.865 -6.809 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.308 -7.870 -6.725 1.00 0.00 H new ATOM 1377 N PHE A 86 3.891 -2.997 -8.093 1.00 0.00 N ATOM 1378 CA PHE A 86 4.239 -1.873 -8.955 1.00 0.00 C ATOM 1379 C PHE A 86 5.525 -1.202 -8.482 1.00 0.00 C ATOM 1380 O PHE A 86 5.663 -0.857 -7.308 1.00 0.00 O ATOM 1381 CB PHE A 86 3.099 -0.854 -8.985 1.00 0.00 C ATOM 1382 CG PHE A 86 1.878 -1.340 -9.714 1.00 0.00 C ATOM 1383 CD1 PHE A 86 1.962 -1.757 -11.032 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.647 -1.380 -9.079 1.00 0.00 C ATOM 1385 CE1 PHE A 86 0.842 -2.205 -11.705 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.477 -1.828 -9.747 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.380 -2.240 -11.062 1.00 0.00 C ATOM 0 H PHE A 86 3.939 -2.793 -7.095 1.00 0.00 H new ATOM 0 HA PHE A 86 4.400 -2.256 -9.962 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.824 -0.599 -7.962 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.454 0.062 -9.457 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.915 -1.732 -11.540 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.565 -1.058 -8.051 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.922 -2.528 -12.733 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.431 -1.856 -9.241 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.258 -2.589 -11.586 1.00 0.00 H new ATOM 1397 N LYS A 87 6.464 -1.020 -9.403 1.00 0.00 N ATOM 1398 CA LYS A 87 7.739 -0.389 -9.083 1.00 0.00 C ATOM 1399 C LYS A 87 7.566 1.111 -8.869 1.00 0.00 C ATOM 1400 O LYS A 87 7.207 1.842 -9.793 1.00 0.00 O ATOM 1401 CB LYS A 87 8.752 -0.642 -10.201 1.00 0.00 C ATOM 1402 CG LYS A 87 10.196 -0.623 -9.730 1.00 0.00 C ATOM 1403 CD LYS A 87 10.689 0.795 -9.500 1.00 0.00 C ATOM 1404 CE LYS A 87 12.191 0.832 -9.261 1.00 0.00 C ATOM 1405 NZ LYS A 87 12.728 2.219 -9.322 1.00 0.00 N ATOM 0 H LYS A 87 6.366 -1.301 -10.379 1.00 0.00 H new ATOM 0 HA LYS A 87 8.111 -0.829 -8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.541 -1.608 -10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.621 0.113 -10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.286 -1.195 -8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.828 -1.113 -10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.442 1.412 -10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.172 1.226 -8.642 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.414 0.399 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.693 0.215 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.754 2.202 -9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.537 2.624 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.268 2.802 -8.594 1.00 0.00 H new ATOM 1419 N SER A 88 7.824 1.564 -7.646 1.00 0.00 N ATOM 1420 CA SER A 88 7.694 2.977 -7.311 1.00 0.00 C ATOM 1421 C SER A 88 8.785 3.407 -6.335 1.00 0.00 C ATOM 1422 O SER A 88 9.430 2.571 -5.700 1.00 0.00 O ATOM 1423 CB SER A 88 6.316 3.255 -6.708 1.00 0.00 C ATOM 1424 OG SER A 88 5.889 4.575 -6.998 1.00 0.00 O ATOM 0 H SER A 88 8.124 0.973 -6.871 1.00 0.00 H new ATOM 0 HA SER A 88 7.804 3.554 -8.229 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.593 2.541 -7.101 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.352 3.110 -5.628 1.00 0.00 H new ATOM 0 HG SER A 88 4.912 4.594 -7.073 1.00 0.00 H new ATOM 1430 N HIS A 89 8.986 4.715 -6.221 1.00 0.00 N ATOM 1431 CA HIS A 89 9.999 5.258 -5.322 1.00 0.00 C ATOM 1432 C HIS A 89 9.366 5.750 -4.024 1.00 0.00 C ATOM 1433 O HIS A 89 8.169 5.569 -3.799 1.00 0.00 O ATOM 1434 CB HIS A 89 10.754 6.401 -6.001 1.00 0.00 C ATOM 1435 CG HIS A 89 9.856 7.420 -6.632 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.725 8.707 -6.154 1.00 0.00 N ATOM 1437 CD2 HIS A 89 9.043 7.336 -7.711 1.00 0.00 C ATOM 1438 CE1 HIS A 89 8.868 9.370 -6.911 1.00 0.00 C ATOM 1439 NE2 HIS A 89 8.441 8.561 -7.863 1.00 0.00 N ATOM 0 H HIS A 89 8.461 5.419 -6.740 1.00 0.00 H new ATOM 0 HA HIS A 89 10.702 4.460 -5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.389 6.894 -5.265 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.413 5.987 -6.764 1.00 0.00 H new ATOM 0 HD2 HIS A 89 8.895 6.468 -8.336 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.568 10.398 -6.774 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.772 8.806 -8.593 1.00 0.00 H new ATOM 1448 N ARG A 90 10.177 6.371 -3.174 1.00 0.00 N ATOM 1449 CA ARG A 90 9.696 6.887 -1.898 1.00 0.00 C ATOM 1450 C ARG A 90 9.047 8.257 -2.075 1.00 0.00 C ATOM 1451 O ARG A 90 7.849 8.423 -1.845 1.00 0.00 O ATOM 1452 CB ARG A 90 10.848 6.982 -0.896 1.00 0.00 C ATOM 1453 CG ARG A 90 10.391 7.052 0.552 1.00 0.00 C ATOM 1454 CD ARG A 90 10.078 8.481 0.969 1.00 0.00 C ATOM 1455 NE ARG A 90 9.621 8.559 2.354 1.00 0.00 N ATOM 1456 CZ ARG A 90 10.442 8.622 3.396 1.00 0.00 C ATOM 1457 NH1 ARG A 90 11.755 8.617 3.212 1.00 0.00 N ATOM 1458 NH2 ARG A 90 9.950 8.691 4.627 1.00 0.00 N ATOM 0 H ARG A 90 11.170 6.529 -3.346 1.00 0.00 H new ATOM 0 HA ARG A 90 8.946 6.196 -1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.500 6.117 -1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.444 7.866 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.506 6.431 0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.167 6.644 1.200 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.968 9.098 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.312 8.891 0.311 1.00 0.00 H new ATOM 0 HE ARG A 90 8.616 8.565 2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.137 8.565 2.268 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.383 8.666 4.015 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.941 8.696 4.773 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.581 8.739 5.427 1.00 0.00 H new ATOM 1472 N THR A 91 9.847 9.236 -2.485 1.00 0.00 N ATOM 1473 CA THR A 91 9.352 10.591 -2.692 1.00 0.00 C ATOM 1474 C THR A 91 7.908 10.580 -3.183 1.00 0.00 C ATOM 1475 O THR A 91 7.121 11.462 -2.841 1.00 0.00 O ATOM 1476 CB THR A 91 10.221 11.359 -3.706 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.568 11.448 -3.228 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.669 12.756 -3.943 1.00 0.00 C ATOM 0 H THR A 91 10.841 9.116 -2.680 1.00 0.00 H new ATOM 0 HA THR A 91 9.401 11.096 -1.727 1.00 0.00 H new ATOM 0 HB THR A 91 10.206 10.814 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.076 12.067 -3.793 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.299 13.279 -4.662 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.654 12.685 -4.334 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.658 13.307 -3.003 1.00 0.00 H new ATOM 1486 N GLU A 92 7.569 9.576 -3.985 1.00 0.00 N ATOM 1487 CA GLU A 92 6.219 9.452 -4.523 1.00 0.00 C ATOM 1488 C GLU A 92 5.240 9.009 -3.439 1.00 0.00 C ATOM 1489 O GLU A 92 4.234 9.671 -3.189 1.00 0.00 O ATOM 1490 CB GLU A 92 6.198 8.455 -5.683 1.00 0.00 C ATOM 1491 CG GLU A 92 4.822 7.875 -5.962 1.00 0.00 C ATOM 1492 CD GLU A 92 4.717 7.262 -7.345 1.00 0.00 C ATOM 1493 OE1 GLU A 92 5.574 7.570 -8.199 1.00 0.00 O ATOM 1494 OE2 GLU A 92 3.776 6.472 -7.573 1.00 0.00 O ATOM 0 H GLU A 92 8.209 8.837 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 92 5.910 10.431 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.564 8.950 -6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.889 7.641 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.593 7.116 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.073 8.660 -5.859 1.00 0.00 H new ATOM 1501 N MET A 93 5.544 7.884 -2.800 1.00 0.00 N ATOM 1502 CA MET A 93 4.692 7.352 -1.743 1.00 0.00 C ATOM 1503 C MET A 93 4.390 8.421 -0.698 1.00 0.00 C ATOM 1504 O MET A 93 3.422 8.311 0.054 1.00 0.00 O ATOM 1505 CB MET A 93 5.360 6.147 -1.078 1.00 0.00 C ATOM 1506 CG MET A 93 4.655 5.681 0.185 1.00 0.00 C ATOM 1507 SD MET A 93 5.624 4.482 1.120 1.00 0.00 S ATOM 1508 CE MET A 93 6.951 5.520 1.729 1.00 0.00 C ATOM 0 H MET A 93 6.373 7.324 -2.996 1.00 0.00 H new ATOM 0 HA MET A 93 3.752 7.034 -2.194 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.395 5.322 -1.790 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.392 6.402 -0.835 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.443 6.543 0.817 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.695 5.238 -0.082 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.910 5.103 1.421 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.844 6.525 1.320 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.908 5.565 2.817 1.00 0.00 H new ATOM 1518 N ASP A 94 5.225 9.454 -0.657 1.00 0.00 N ATOM 1519 CA ASP A 94 5.047 10.543 0.296 1.00 0.00 C ATOM 1520 C ASP A 94 3.857 11.415 -0.093 1.00 0.00 C ATOM 1521 O ASP A 94 3.055 11.802 0.757 1.00 0.00 O ATOM 1522 CB ASP A 94 6.315 11.395 0.373 1.00 0.00 C ATOM 1523 CG ASP A 94 7.282 10.899 1.430 1.00 0.00 C ATOM 1524 OD1 ASP A 94 7.240 9.693 1.753 1.00 0.00 O ATOM 1525 OD2 ASP A 94 8.081 11.716 1.932 1.00 0.00 O ATOM 0 H ASP A 94 6.031 9.560 -1.273 1.00 0.00 H new ATOM 0 HA ASP A 94 4.852 10.107 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.810 11.393 -0.598 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.043 12.428 0.590 1.00 0.00 H new ATOM 1530 N TRP A 95 3.750 11.721 -1.381 1.00 0.00 N ATOM 1531 CA TRP A 95 2.658 12.549 -1.881 1.00 0.00 C ATOM 1532 C TRP A 95 1.355 11.759 -1.931 1.00 0.00 C ATOM 1533 O TRP A 95 0.321 12.218 -1.445 1.00 0.00 O ATOM 1534 CB TRP A 95 2.996 13.087 -3.273 1.00 0.00 C ATOM 1535 CG TRP A 95 2.456 12.239 -4.385 1.00 0.00 C ATOM 1536 CD1 TRP A 95 3.180 11.498 -5.275 1.00 0.00 C ATOM 1537 CD2 TRP A 95 1.079 12.047 -4.725 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.335 10.857 -6.149 1.00 0.00 N ATOM 1539 CE2 TRP A 95 1.041 11.176 -5.832 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.126 12.523 -4.202 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.154 10.776 -6.423 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.311 12.125 -4.790 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.319 11.258 -5.890 1.00 0.00 C ATOM 0 H TRP A 95 4.405 11.409 -2.098 1.00 0.00 H new ATOM 0 HA TRP A 95 2.527 13.387 -1.196 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.599 14.097 -3.370 1.00 0.00 H new ATOM 0 HB3 TRP A 95 4.079 13.159 -3.374 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.258 11.426 -5.290 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.624 10.243 -6.910 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.131 13.190 -3.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.162 10.109 -7.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.248 12.489 -4.395 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.262 10.964 -6.326 1.00 0.00 H new ATOM 1554 N VAL A 96 1.411 10.569 -2.520 1.00 0.00 N ATOM 1555 CA VAL A 96 0.235 9.715 -2.631 1.00 0.00 C ATOM 1556 C VAL A 96 -0.459 9.556 -1.282 1.00 0.00 C ATOM 1557 O VAL A 96 -1.683 9.435 -1.212 1.00 0.00 O ATOM 1558 CB VAL A 96 0.602 8.321 -3.174 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.374 8.443 -4.479 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.403 7.542 -2.142 1.00 0.00 C ATOM 0 H VAL A 96 2.259 10.174 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.444 10.202 -3.331 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.319 7.774 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.625 7.448 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.761 8.960 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.290 9.008 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.654 6.560 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.320 8.084 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.810 7.424 -1.235 1.00 0.00 H new ATOM 1570 N LEU A 97 0.330 9.558 -0.214 1.00 0.00 N ATOM 1571 CA LEU A 97 -0.207 9.415 1.135 1.00 0.00 C ATOM 1572 C LEU A 97 -0.835 10.721 1.612 1.00 0.00 C ATOM 1573 O LEU A 97 -2.033 10.782 1.887 1.00 0.00 O ATOM 1574 CB LEU A 97 0.896 8.983 2.102 1.00 0.00 C ATOM 1575 CG LEU A 97 1.376 7.537 1.969 1.00 0.00 C ATOM 1576 CD1 LEU A 97 2.670 7.331 2.742 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.304 6.572 2.454 1.00 0.00 C ATOM 0 H LEU A 97 1.344 9.657 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.981 8.648 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.752 9.643 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.538 9.134 3.121 1.00 0.00 H new ATOM 0 HG LEU A 97 1.569 7.334 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.996 6.296 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.439 7.996 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.503 7.553 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.663 5.548 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.079 6.775 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.599 6.701 1.857 1.00 0.00 H new ATOM 1589 N LYS A 98 -0.017 11.764 1.707 1.00 0.00 N ATOM 1590 CA LYS A 98 -0.492 13.070 2.147 1.00 0.00 C ATOM 1591 C LYS A 98 -1.823 13.417 1.489 1.00 0.00 C ATOM 1592 O LYS A 98 -2.648 14.124 2.068 1.00 0.00 O ATOM 1593 CB LYS A 98 0.546 14.148 1.823 1.00 0.00 C ATOM 1594 CG LYS A 98 1.903 13.895 2.455 1.00 0.00 C ATOM 1595 CD LYS A 98 3.011 14.615 1.704 1.00 0.00 C ATOM 1596 CE LYS A 98 4.132 15.042 2.638 1.00 0.00 C ATOM 1597 NZ LYS A 98 3.866 16.371 3.254 1.00 0.00 N ATOM 0 H LYS A 98 0.978 11.730 1.485 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.641 13.029 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.665 14.213 0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.172 15.114 2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.890 14.228 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.106 12.824 2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.411 13.961 0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.601 15.491 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.254 14.296 3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.071 15.080 2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.654 16.626 3.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.775 17.088 2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.984 16.329 3.803 1.00 0.00 H new ATOM 1611 N HIS A 99 -2.027 12.912 0.276 1.00 0.00 N ATOM 1612 CA HIS A 99 -3.260 13.167 -0.461 1.00 0.00 C ATOM 1613 C HIS A 99 -4.012 11.866 -0.728 1.00 0.00 C ATOM 1614 O HIS A 99 -4.426 11.597 -1.855 1.00 0.00 O ATOM 1615 CB HIS A 99 -2.953 13.873 -1.782 1.00 0.00 C ATOM 1616 CG HIS A 99 -1.808 14.833 -1.696 1.00 0.00 C ATOM 1617 ND1 HIS A 99 -1.437 15.460 -0.524 1.00 0.00 N ATOM 1618 CD2 HIS A 99 -0.947 15.273 -2.644 1.00 0.00 C ATOM 1619 CE1 HIS A 99 -0.400 16.244 -0.756 1.00 0.00 C ATOM 1620 NE2 HIS A 99 -0.083 16.148 -2.035 1.00 0.00 N ATOM 0 H HIS A 99 -1.355 12.324 -0.217 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.892 13.813 0.149 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.732 13.124 -2.542 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.842 14.410 -2.113 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -0.941 14.988 -3.686 1.00 0.00 H new ATOM 0 HE1 HIS A 99 0.103 16.859 -0.025 1.00 0.00 H new ATOM 0 HE2 HIS A 99 0.680 16.644 -2.495 1.00 0.00 H new ATOM 1629 N SER A 100 -4.183 11.062 0.317 1.00 0.00 N ATOM 1630 CA SER A 100 -4.881 9.787 0.194 1.00 0.00 C ATOM 1631 C SER A 100 -5.981 9.667 1.244 1.00 0.00 C ATOM 1632 O SER A 100 -7.157 9.518 0.913 1.00 0.00 O ATOM 1633 CB SER A 100 -3.895 8.626 0.337 1.00 0.00 C ATOM 1634 OG SER A 100 -4.525 7.488 0.898 1.00 0.00 O ATOM 0 H SER A 100 -3.848 11.271 1.258 1.00 0.00 H new ATOM 0 HA SER A 100 -5.339 9.745 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.483 8.373 -0.640 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.059 8.930 0.967 1.00 0.00 H new ATOM 0 HG SER A 100 -5.385 7.337 0.452 1.00 0.00 H new ATOM 1640 N GLY A 101 -5.590 9.733 2.513 1.00 0.00 N ATOM 1641 CA GLY A 101 -6.554 9.630 3.592 1.00 0.00 C ATOM 1642 C GLY A 101 -7.546 10.776 3.596 1.00 0.00 C ATOM 1643 O GLY A 101 -7.304 11.836 3.018 1.00 0.00 O ATOM 0 H GLY A 101 -4.623 9.856 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -7.094 8.687 3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.026 9.607 4.545 1.00 0.00 H new ATOM 1647 N PRO A 102 -8.694 10.569 4.258 1.00 0.00 N ATOM 1648 CA PRO A 102 -9.749 11.582 4.349 1.00 0.00 C ATOM 1649 C PRO A 102 -9.345 12.764 5.223 1.00 0.00 C ATOM 1650 O PRO A 102 -9.580 13.918 4.870 1.00 0.00 O ATOM 1651 CB PRO A 102 -10.917 10.822 4.984 1.00 0.00 C ATOM 1652 CG PRO A 102 -10.277 9.714 5.748 1.00 0.00 C ATOM 1653 CD PRO A 102 -9.049 9.329 4.969 1.00 0.00 C ATOM 0 HA PRO A 102 -9.982 12.015 3.376 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.501 11.469 5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.599 10.438 4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.015 10.036 6.756 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.956 8.867 5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.244 8.997 5.625 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.252 8.512 4.276 1.00 0.00 H new ATOM 1661 N ASN A 103 -8.734 12.467 6.366 1.00 0.00 N ATOM 1662 CA ASN A 103 -8.297 13.506 7.291 1.00 0.00 C ATOM 1663 C ASN A 103 -7.167 14.333 6.685 1.00 0.00 C ATOM 1664 O ASN A 103 -6.573 13.948 5.678 1.00 0.00 O ATOM 1665 CB ASN A 103 -7.837 12.883 8.611 1.00 0.00 C ATOM 1666 CG ASN A 103 -6.390 12.432 8.564 1.00 0.00 C ATOM 1667 OD1 ASN A 103 -5.477 13.207 8.850 1.00 0.00 O ATOM 1668 ND2 ASN A 103 -6.175 11.172 8.202 1.00 0.00 N ATOM 0 H ASN A 103 -8.531 11.516 6.673 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.143 14.165 7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.963 13.608 9.415 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.473 12.030 8.848 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.222 10.811 8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.963 10.565 7.974 1.00 0.00 H new ATOM 1675 N SER A 104 -6.874 15.471 7.307 1.00 0.00 N ATOM 1676 CA SER A 104 -5.818 16.354 6.828 1.00 0.00 C ATOM 1677 C SER A 104 -4.829 16.673 7.945 1.00 0.00 C ATOM 1678 O SER A 104 -5.175 16.636 9.125 1.00 0.00 O ATOM 1679 CB SER A 104 -6.417 17.649 6.277 1.00 0.00 C ATOM 1680 OG SER A 104 -7.227 17.394 5.142 1.00 0.00 O ATOM 0 H SER A 104 -7.354 15.803 8.144 1.00 0.00 H new ATOM 0 HA SER A 104 -5.284 15.841 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.012 18.136 7.050 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.616 18.338 6.009 1.00 0.00 H new ATOM 0 HG SER A 104 -7.599 18.237 4.810 1.00 0.00 H new ATOM 1686 N ALA A 105 -3.595 16.988 7.563 1.00 0.00 N ATOM 1687 CA ALA A 105 -2.556 17.316 8.530 1.00 0.00 C ATOM 1688 C ALA A 105 -1.603 18.370 7.977 1.00 0.00 C ATOM 1689 O ALA A 105 -1.387 18.452 6.767 1.00 0.00 O ATOM 1690 CB ALA A 105 -1.788 16.063 8.925 1.00 0.00 C ATOM 0 H ALA A 105 -3.291 17.023 6.590 1.00 0.00 H new ATOM 0 HA ALA A 105 -3.037 17.729 9.416 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -1.015 16.323 9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.473 15.341 9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -1.325 15.626 8.040 1.00 0.00 H new ATOM 1696 N SER A 106 -1.036 19.176 8.869 1.00 0.00 N ATOM 1697 CA SER A 106 -0.110 20.229 8.468 1.00 0.00 C ATOM 1698 C SER A 106 1.200 20.123 9.243 1.00 0.00 C ATOM 1699 O SER A 106 1.315 19.342 10.186 1.00 0.00 O ATOM 1700 CB SER A 106 -0.740 21.605 8.695 1.00 0.00 C ATOM 1701 OG SER A 106 -1.107 21.780 10.052 1.00 0.00 O ATOM 0 H SER A 106 -1.202 19.120 9.874 1.00 0.00 H new ATOM 0 HA SER A 106 0.104 20.106 7.406 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.036 22.384 8.402 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.619 21.715 8.060 1.00 0.00 H new ATOM 0 HG SER A 106 -1.505 22.667 10.171 1.00 0.00 H new ATOM 1707 N GLY A 107 2.187 20.915 8.835 1.00 0.00 N ATOM 1708 CA GLY A 107 3.477 20.896 9.500 1.00 0.00 C ATOM 1709 C GLY A 107 4.264 22.172 9.276 1.00 0.00 C ATOM 1710 O GLY A 107 3.733 23.180 8.809 1.00 0.00 O ATOM 0 H GLY A 107 2.116 21.569 8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.329 20.747 10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.057 20.047 9.138 1.00 0.00 H new ATOM 1714 N PRO A 108 5.561 22.138 9.615 1.00 0.00 N ATOM 1715 CA PRO A 108 6.450 23.293 9.458 1.00 0.00 C ATOM 1716 C PRO A 108 6.740 23.607 7.995 1.00 0.00 C ATOM 1717 O PRO A 108 7.482 24.539 7.685 1.00 0.00 O ATOM 1718 CB PRO A 108 7.730 22.856 10.175 1.00 0.00 C ATOM 1719 CG PRO A 108 7.709 21.368 10.113 1.00 0.00 C ATOM 1720 CD PRO A 108 6.260 20.971 10.178 1.00 0.00 C ATOM 0 HA PRO A 108 6.009 24.204 9.862 1.00 0.00 H new ATOM 0 HB2 PRO A 108 8.616 23.260 9.685 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.747 23.209 11.206 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.171 21.009 9.193 1.00 0.00 H new ATOM 0 HG3 PRO A 108 8.270 20.935 10.941 1.00 0.00 H new ATOM 0 HD2 PRO A 108 6.064 20.068 9.600 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.944 20.769 11.201 1.00 0.00 H new ATOM 1728 N SER A 109 6.150 22.823 7.098 1.00 0.00 N ATOM 1729 CA SER A 109 6.348 23.015 5.666 1.00 0.00 C ATOM 1730 C SER A 109 5.018 23.267 4.963 1.00 0.00 C ATOM 1731 O SER A 109 3.952 23.161 5.570 1.00 0.00 O ATOM 1732 CB SER A 109 7.037 21.793 5.056 1.00 0.00 C ATOM 1733 OG SER A 109 8.444 21.871 5.210 1.00 0.00 O ATOM 0 H SER A 109 5.531 22.049 7.338 1.00 0.00 H new ATOM 0 HA SER A 109 6.984 23.889 5.526 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.665 20.886 5.533 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.787 21.721 3.997 1.00 0.00 H new ATOM 0 HG SER A 109 8.861 21.078 4.814 1.00 0.00 H new ATOM 1739 N SER A 110 5.089 23.600 3.678 1.00 0.00 N ATOM 1740 CA SER A 110 3.891 23.871 2.891 1.00 0.00 C ATOM 1741 C SER A 110 3.769 22.887 1.732 1.00 0.00 C ATOM 1742 O SER A 110 4.434 23.032 0.707 1.00 0.00 O ATOM 1743 CB SER A 110 3.919 25.305 2.358 1.00 0.00 C ATOM 1744 OG SER A 110 4.049 26.240 3.415 1.00 0.00 O ATOM 0 H SER A 110 5.963 23.689 3.160 1.00 0.00 H new ATOM 0 HA SER A 110 3.024 23.750 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 110 4.749 25.421 1.661 1.00 0.00 H new ATOM 0 HB3 SER A 110 3.005 25.507 1.800 1.00 0.00 H new ATOM 0 HG SER A 110 4.066 27.148 3.048 1.00 0.00 H new ATOM 1750 N GLY A 111 2.913 21.884 1.902 1.00 0.00 N ATOM 1751 CA GLY A 111 2.718 20.890 0.863 1.00 0.00 C ATOM 1752 C GLY A 111 3.825 19.855 0.837 1.00 0.00 C ATOM 1753 O GLY A 111 4.501 19.684 -0.178 1.00 0.00 O ATOM 0 H GLY A 111 2.351 21.742 2.741 1.00 0.00 H new ATOM 0 HA2 GLY A 111 1.761 20.391 1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 111 2.666 21.387 -0.106 1.00 0.00 H new TER 1757 GLY A 111