USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 945 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 19 MET CE :methyl -139:sc= -4.1! (180deg=-6.02!) USER MOD Set 1.2: B 68 HIS : no HE2:sc= -1.5 K(o=-5.6,f=-8.4!) USER MOD Set 2.1: B 7 THR OG1 : rot 119:sc= 1.22 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= 0.889 USER MOD Set 2.3: B 11 LYS NZ :NH3+ 157:sc= -3.65! (180deg=-5.75!) USER MOD Set 3.1: A 35 ASN : amide:sc= -0.0928 X(o=-0.46,f=-0.94) USER MOD Set 3.2: A 42 THR OG1 : rot 94:sc= -0.363 USER MOD Set 4.1: A 27 LYS NZ :NH3+ 148:sc= 0.0802 (180deg=-0.286) USER MOD Set 4.2: A 31 HIS : no HE2:sc= -0.975 K(o=-0.9,f=-5.6!) USER MOD Set 5.1: A 9 HIS :FLIP no HD1:sc= -2.46 F(o=-6.1!,f=-4.1) USER MOD Set 5.2: A 29 GLN : amide:sc= -1.67 K(o=-4.1,f=-7.1!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= -0.0276 (180deg=-0.237) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.895 (180deg=-0.895) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0645 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -2.19! C(o=-2.2!,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -160:sc= -3.98! (180deg=-4.7!) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= -0.0144 K(o=-0.014,f=-2.4!) USER MOD Single : B 6 LYS NZ :NH3+ 151:sc= 1.04 (180deg=0.483) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot -110:sc= -1.72! USER MOD Single : B 25 ASN :FLIP amide:sc= -1.6 F(o=-3!,f=-1.6) USER MOD Single : B 27 LYS NZ :NH3+ -174:sc= -1.31 (180deg=-1.35) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -135:sc= -0.025 (180deg=-0.295) USER MOD Single : B 31 GLN :FLIP amide:sc= -2.44! C(o=-3.8!,f=-2.4!) USER MOD Single : B 33 LYS NZ :NH3+ 170:sc=-0.000314 (180deg=-0.155) USER MOD Single : B 40 GLN :FLIP amide:sc= -1.46 F(o=-2.6!,f=-1.5) USER MOD Single : B 41 GLN : amide:sc= -0.451 K(o=-0.45,f=-1.3) USER MOD Single : B 48 LYS NZ :NH3+ -169:sc=-0.00323 (180deg=-0.129) USER MOD Single : B 49 GLN : amide:sc= -2.67! C(o=-2.7!,f=-4.6!) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot 149:sc= -1.17 USER MOD Single : B 60 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.3) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ -133:sc= -0.0279 (180deg=-0.306) USER MOD Single : B 65 SER OG : rot -130:sc= -2.7! USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N ASP A 8 15.409 1.325 -0.042 1.00 0.00 N ATOM 28 CA ASP A 8 14.755 1.335 -1.347 1.00 0.00 C ATOM 29 C ASP A 8 13.361 1.946 -1.244 1.00 0.00 C ATOM 30 O ASP A 8 12.369 1.327 -1.635 1.00 0.00 O ATOM 31 CB ASP A 8 14.668 -0.089 -1.906 1.00 0.00 C ATOM 32 CG ASP A 8 14.111 -0.127 -3.317 1.00 0.00 C ATOM 33 OD1 ASP A 8 14.728 0.485 -4.214 1.00 0.00 O ATOM 34 OD2 ASP A 8 13.060 -0.769 -3.523 1.00 0.00 O ATOM 0 HA ASP A 8 15.350 1.945 -2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 8 15.660 -0.540 -1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.038 -0.694 -1.254 1.00 0.00 H new ATOM 39 N HIS A 9 13.288 3.160 -0.707 1.00 0.00 N ATOM 40 CA HIS A 9 12.010 3.843 -0.547 1.00 0.00 C ATOM 41 C HIS A 9 11.343 4.079 -1.898 1.00 0.00 C ATOM 42 O HIS A 9 10.127 4.235 -1.976 1.00 0.00 O ATOM 43 CB HIS A 9 12.158 5.167 0.226 1.00 0.00 C ATOM 44 CG HIS A 9 12.638 6.345 -0.576 1.00 0.00 C ATOM 45 ND1 HIS A 9 13.291 6.432 -1.763 1.00 0.00 N flip ATOM 46 CD2 HIS A 9 12.448 7.647 -0.159 1.00 0.00 C flip ATOM 47 CE1 HIS A 9 13.473 7.765 -2.032 1.00 0.00 C flip ATOM 48 NE2 HIS A 9 12.953 8.477 -1.051 1.00 0.00 N flip ATOM 0 H HIS A 9 14.095 3.689 -0.377 1.00 0.00 H new ATOM 0 HA HIS A 9 11.369 3.189 0.044 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.192 5.419 0.664 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.851 5.008 1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.960 7.941 0.758 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.963 8.167 -2.906 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.943 9.495 -0.992 1.00 0.00 H new ATOM 57 N GLU A 10 12.153 4.121 -2.956 1.00 0.00 N ATOM 58 CA GLU A 10 11.647 4.360 -4.304 1.00 0.00 C ATOM 59 C GLU A 10 10.495 3.416 -4.625 1.00 0.00 C ATOM 60 O GLU A 10 9.497 3.826 -5.219 1.00 0.00 O ATOM 61 CB GLU A 10 12.766 4.188 -5.331 1.00 0.00 C ATOM 62 CG GLU A 10 13.919 5.161 -5.142 1.00 0.00 C ATOM 63 CD GLU A 10 15.005 4.993 -6.187 1.00 0.00 C ATOM 64 OE1 GLU A 10 14.853 4.120 -7.068 1.00 0.00 O ATOM 65 OE2 GLU A 10 16.006 5.736 -6.125 1.00 0.00 O ATOM 0 H GLU A 10 13.163 3.992 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 10 11.278 5.385 -4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.148 3.169 -5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.353 4.317 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.538 6.181 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.350 5.019 -4.151 1.00 0.00 H new ATOM 72 N SER A 11 10.622 2.161 -4.211 1.00 0.00 N ATOM 73 CA SER A 11 9.568 1.182 -4.440 1.00 0.00 C ATOM 74 C SER A 11 8.290 1.654 -3.761 1.00 0.00 C ATOM 75 O SER A 11 7.204 1.642 -4.352 1.00 0.00 O ATOM 76 CB SER A 11 9.983 -0.187 -3.898 1.00 0.00 C ATOM 77 OG SER A 11 8.973 -1.153 -4.125 1.00 0.00 O ATOM 0 H SER A 11 11.439 1.800 -3.718 1.00 0.00 H new ATOM 0 HA SER A 11 9.394 1.084 -5.512 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.909 -0.505 -4.377 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.186 -0.112 -2.830 1.00 0.00 H new ATOM 0 HG SER A 11 9.263 -2.019 -3.771 1.00 0.00 H new ATOM 83 N LYS A 12 8.438 2.098 -2.516 1.00 0.00 N ATOM 84 CA LYS A 12 7.315 2.609 -1.748 1.00 0.00 C ATOM 85 C LYS A 12 6.721 3.819 -2.454 1.00 0.00 C ATOM 86 O LYS A 12 5.502 3.992 -2.506 1.00 0.00 O ATOM 87 CB LYS A 12 7.769 2.991 -0.338 1.00 0.00 C ATOM 88 CG LYS A 12 8.404 1.842 0.429 1.00 0.00 C ATOM 89 CD LYS A 12 8.832 2.273 1.823 1.00 0.00 C ATOM 90 CE LYS A 12 9.485 1.130 2.583 1.00 0.00 C ATOM 91 NZ LYS A 12 10.708 0.630 1.895 1.00 0.00 N ATOM 0 H LYS A 12 9.329 2.113 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 12 6.554 1.832 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.484 3.811 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.911 3.361 0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.695 1.017 0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.269 1.471 -0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.529 3.108 1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.964 2.631 2.377 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.745 1.464 3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.771 0.313 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.250 0.027 2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.434 0.077 1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.295 1.436 1.600 1.00 0.00 H new ATOM 105 N LEU A 13 7.600 4.645 -3.019 1.00 0.00 N ATOM 106 CA LEU A 13 7.183 5.830 -3.749 1.00 0.00 C ATOM 107 C LEU A 13 6.268 5.421 -4.894 1.00 0.00 C ATOM 108 O LEU A 13 5.237 6.050 -5.142 1.00 0.00 O ATOM 109 CB LEU A 13 8.408 6.576 -4.288 1.00 0.00 C ATOM 110 CG LEU A 13 8.111 7.874 -5.037 1.00 0.00 C ATOM 111 CD1 LEU A 13 7.435 8.882 -4.119 1.00 0.00 C ATOM 112 CD2 LEU A 13 9.393 8.452 -5.615 1.00 0.00 C ATOM 0 H LEU A 13 8.610 4.510 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 13 6.642 6.497 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.070 6.803 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.953 5.909 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 13 7.429 7.652 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.232 9.799 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.498 8.466 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.090 9.104 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.168 9.377 -6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.095 8.659 -4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.836 7.735 -6.306 1.00 0.00 H new ATOM 124 N SER A 14 6.644 4.336 -5.567 1.00 0.00 N ATOM 125 CA SER A 14 5.850 3.809 -6.663 1.00 0.00 C ATOM 126 C SER A 14 4.458 3.473 -6.153 1.00 0.00 C ATOM 127 O SER A 14 3.452 3.792 -6.794 1.00 0.00 O ATOM 128 CB SER A 14 6.513 2.564 -7.257 1.00 0.00 C ATOM 129 OG SER A 14 5.745 2.034 -8.323 1.00 0.00 O ATOM 0 H SER A 14 7.494 3.808 -5.369 1.00 0.00 H new ATOM 0 HA SER A 14 5.778 4.561 -7.449 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.511 2.816 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.634 1.808 -6.481 1.00 0.00 H new ATOM 0 HG SER A 14 6.192 1.241 -8.685 1.00 0.00 H new ATOM 135 N ILE A 15 4.406 2.843 -4.978 1.00 0.00 N ATOM 136 CA ILE A 15 3.130 2.488 -4.373 1.00 0.00 C ATOM 137 C ILE A 15 2.286 3.735 -4.170 1.00 0.00 C ATOM 138 O ILE A 15 1.077 3.708 -4.360 1.00 0.00 O ATOM 139 CB ILE A 15 3.280 1.797 -3.003 1.00 0.00 C ATOM 140 CG1 ILE A 15 4.342 0.697 -3.031 1.00 0.00 C ATOM 141 CG2 ILE A 15 1.940 1.223 -2.574 1.00 0.00 C ATOM 142 CD1 ILE A 15 4.149 -0.322 -4.134 1.00 0.00 C ATOM 0 H ILE A 15 5.226 2.572 -4.435 1.00 0.00 H new ATOM 0 HA ILE A 15 2.656 1.789 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 15 3.608 2.546 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.323 1.157 -3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.341 0.181 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.047 0.735 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.208 2.027 -2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.603 0.495 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.943 -1.067 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.183 -0.812 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.181 0.179 -5.102 1.00 0.00 H new ATOM 154 N LEU A 16 2.940 4.825 -3.768 1.00 0.00 N ATOM 155 CA LEU A 16 2.253 6.088 -3.525 1.00 0.00 C ATOM 156 C LEU A 16 1.557 6.588 -4.784 1.00 0.00 C ATOM 157 O LEU A 16 0.375 6.924 -4.750 1.00 0.00 O ATOM 158 CB LEU A 16 3.234 7.150 -3.025 1.00 0.00 C ATOM 159 CG LEU A 16 3.841 6.885 -1.646 1.00 0.00 C ATOM 160 CD1 LEU A 16 4.789 8.009 -1.266 1.00 0.00 C ATOM 161 CD2 LEU A 16 2.748 6.739 -0.598 1.00 0.00 C ATOM 0 H LEU A 16 3.946 4.856 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 16 1.499 5.908 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.044 7.241 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.720 8.111 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 16 4.402 5.951 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.215 7.809 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.590 8.074 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.243 8.952 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.200 6.551 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.161 7.656 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.099 5.905 -0.863 1.00 0.00 H new ATOM 173 N MET A 17 2.291 6.638 -5.893 1.00 0.00 N ATOM 174 CA MET A 17 1.718 7.100 -7.152 1.00 0.00 C ATOM 175 C MET A 17 0.493 6.273 -7.518 1.00 0.00 C ATOM 176 O MET A 17 -0.547 6.817 -7.886 1.00 0.00 O ATOM 177 CB MET A 17 2.754 7.045 -8.276 1.00 0.00 C ATOM 178 CG MET A 17 3.872 8.061 -8.115 1.00 0.00 C ATOM 179 SD MET A 17 4.973 8.119 -9.542 1.00 0.00 S ATOM 180 CE MET A 17 5.747 6.509 -9.443 1.00 0.00 C ATOM 0 H MET A 17 3.273 6.367 -5.945 1.00 0.00 H new ATOM 0 HA MET A 17 1.410 8.138 -7.022 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.185 6.045 -8.315 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.254 7.214 -9.230 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.439 9.049 -7.955 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.451 7.819 -7.224 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.457 6.396 -10.262 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.272 6.416 -8.492 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.984 5.734 -9.514 1.00 0.00 H new ATOM 190 N ASP A 18 0.616 4.957 -7.394 1.00 0.00 N ATOM 191 CA ASP A 18 -0.496 4.062 -7.692 1.00 0.00 C ATOM 192 C ASP A 18 -1.586 4.219 -6.634 1.00 0.00 C ATOM 193 O ASP A 18 -2.776 4.097 -6.920 1.00 0.00 O ATOM 194 CB ASP A 18 -0.011 2.610 -7.744 1.00 0.00 C ATOM 195 CG ASP A 18 -1.095 1.643 -8.188 1.00 0.00 C ATOM 196 OD1 ASP A 18 -2.207 2.107 -8.520 1.00 0.00 O ATOM 197 OD2 ASP A 18 -0.828 0.424 -8.210 1.00 0.00 O ATOM 0 H ASP A 18 1.469 4.488 -7.091 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.909 4.323 -8.667 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.835 2.539 -8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.350 2.317 -6.758 1.00 0.00 H new ATOM 202 N MET A 19 -1.154 4.496 -5.407 1.00 0.00 N ATOM 203 CA MET A 19 -2.062 4.680 -4.280 1.00 0.00 C ATOM 204 C MET A 19 -2.949 5.902 -4.500 1.00 0.00 C ATOM 205 O MET A 19 -4.123 5.904 -4.130 1.00 0.00 O ATOM 206 CB MET A 19 -1.262 4.835 -2.980 1.00 0.00 C ATOM 207 CG MET A 19 -2.113 4.843 -1.722 1.00 0.00 C ATOM 208 SD MET A 19 -2.913 3.260 -1.414 1.00 0.00 S ATOM 209 CE MET A 19 -1.546 2.315 -0.752 1.00 0.00 C ATOM 0 H MET A 19 -0.168 4.599 -5.167 1.00 0.00 H new ATOM 0 HA MET A 19 -2.700 3.800 -4.201 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.540 4.021 -2.912 1.00 0.00 H new ATOM 0 HB3 MET A 19 -0.692 5.763 -3.026 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.488 5.102 -0.867 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.873 5.619 -1.808 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.571 1.304 -1.160 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.606 2.794 -1.026 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.627 2.270 0.334 1.00 0.00 H new ATOM 219 N PHE A 20 -2.378 6.941 -5.108 1.00 0.00 N ATOM 220 CA PHE A 20 -3.116 8.169 -5.381 1.00 0.00 C ATOM 221 C PHE A 20 -2.963 8.570 -6.850 1.00 0.00 C ATOM 222 O PHE A 20 -1.892 9.008 -7.270 1.00 0.00 O ATOM 223 CB PHE A 20 -2.612 9.303 -4.484 1.00 0.00 C ATOM 224 CG PHE A 20 -2.326 8.875 -3.072 1.00 0.00 C ATOM 225 CD1 PHE A 20 -3.348 8.778 -2.141 1.00 0.00 C ATOM 226 CD2 PHE A 20 -1.034 8.554 -2.679 1.00 0.00 C ATOM 227 CE1 PHE A 20 -3.088 8.375 -0.846 1.00 0.00 C ATOM 228 CE2 PHE A 20 -0.769 8.149 -1.385 1.00 0.00 C ATOM 229 CZ PHE A 20 -1.797 8.060 -0.468 1.00 0.00 C ATOM 0 H PHE A 20 -1.407 6.955 -5.420 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.170 7.988 -5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.704 9.722 -4.918 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.355 10.100 -4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.360 9.020 -2.432 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.227 8.622 -3.393 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.893 8.306 -0.129 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.241 7.902 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.592 7.744 0.544 1.00 0.00 H new ATOM 239 N PRO A 21 -4.034 8.419 -7.654 1.00 0.00 N ATOM 240 CA PRO A 21 -4.008 8.762 -9.078 1.00 0.00 C ATOM 241 C PRO A 21 -4.176 10.259 -9.336 1.00 0.00 C ATOM 242 O PRO A 21 -5.068 10.668 -10.080 1.00 0.00 O ATOM 243 CB PRO A 21 -5.202 7.989 -9.633 1.00 0.00 C ATOM 244 CG PRO A 21 -6.173 7.944 -8.504 1.00 0.00 C ATOM 245 CD PRO A 21 -5.353 7.896 -7.241 1.00 0.00 C ATOM 0 HA PRO A 21 -3.053 8.511 -9.540 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.628 8.488 -10.504 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.914 6.986 -9.949 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.821 8.820 -8.514 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.819 7.069 -8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.796 8.506 -6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.276 6.880 -6.853 1.00 0.00 H new ATOM 253 N ALA A 22 -3.324 11.075 -8.719 1.00 0.00 N ATOM 254 CA ALA A 22 -3.402 12.523 -8.898 1.00 0.00 C ATOM 255 C ALA A 22 -2.173 13.235 -8.337 1.00 0.00 C ATOM 256 O ALA A 22 -1.629 14.138 -8.972 1.00 0.00 O ATOM 257 CB ALA A 22 -4.664 13.064 -8.241 1.00 0.00 C ATOM 0 H ALA A 22 -2.579 10.762 -8.097 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.436 12.720 -9.970 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.712 14.144 -8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.539 12.600 -8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.646 12.836 -7.175 1.00 0.00 H new ATOM 263 N ILE A 23 -1.748 12.835 -7.144 1.00 0.00 N ATOM 264 CA ILE A 23 -0.592 13.451 -6.499 1.00 0.00 C ATOM 265 C ILE A 23 0.678 13.260 -7.325 1.00 0.00 C ATOM 266 O ILE A 23 0.969 12.160 -7.796 1.00 0.00 O ATOM 267 CB ILE A 23 -0.366 12.878 -5.086 1.00 0.00 C ATOM 268 CG1 ILE A 23 -1.653 12.979 -4.261 1.00 0.00 C ATOM 269 CG2 ILE A 23 0.770 13.618 -4.393 1.00 0.00 C ATOM 270 CD1 ILE A 23 -1.541 12.366 -2.882 1.00 0.00 C ATOM 0 H ILE A 23 -2.185 12.088 -6.604 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.808 14.517 -6.422 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.092 11.827 -5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.929 14.029 -4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.461 12.488 -4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.919 13.204 -3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.685 13.505 -4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.520 14.676 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.490 12.475 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.296 11.308 -2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.756 12.873 -2.321 1.00 0.00 H new ATOM 282 N SER A 24 1.434 14.344 -7.491 1.00 0.00 N ATOM 283 CA SER A 24 2.679 14.309 -8.252 1.00 0.00 C ATOM 284 C SER A 24 3.752 13.516 -7.511 1.00 0.00 C ATOM 285 O SER A 24 3.792 13.511 -6.280 1.00 0.00 O ATOM 286 CB SER A 24 3.176 15.730 -8.523 1.00 0.00 C ATOM 287 OG SER A 24 2.242 16.457 -9.303 1.00 0.00 O ATOM 0 H SER A 24 1.204 15.260 -7.106 1.00 0.00 H new ATOM 0 HA SER A 24 2.479 13.813 -9.202 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.345 16.246 -7.578 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.134 15.691 -9.041 1.00 0.00 H new ATOM 0 HG SER A 24 2.582 17.362 -9.461 1.00 0.00 H new ATOM 293 N LYS A 25 4.616 12.845 -8.269 1.00 0.00 N ATOM 294 CA LYS A 25 5.691 12.047 -7.686 1.00 0.00 C ATOM 295 C LYS A 25 6.541 12.881 -6.731 1.00 0.00 C ATOM 296 O LYS A 25 6.956 12.401 -5.677 1.00 0.00 O ATOM 297 CB LYS A 25 6.580 11.461 -8.786 1.00 0.00 C ATOM 298 CG LYS A 25 7.710 10.592 -8.252 1.00 0.00 C ATOM 299 CD LYS A 25 8.647 10.133 -9.360 1.00 0.00 C ATOM 300 CE LYS A 25 7.931 9.267 -10.384 1.00 0.00 C ATOM 301 NZ LYS A 25 8.849 8.811 -11.464 1.00 0.00 N ATOM 0 H LYS A 25 4.592 12.838 -9.289 1.00 0.00 H new ATOM 0 HA LYS A 25 5.232 11.235 -7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.965 10.868 -9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.004 12.276 -9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.276 11.151 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.291 9.721 -7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.076 11.003 -9.857 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.475 9.573 -8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.497 8.400 -9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.106 9.829 -10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.323 8.223 -12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.244 9.638 -11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.622 8.253 -11.050 1.00 0.00 H new ATOM 315 N SER A 26 6.801 14.129 -7.110 1.00 0.00 N ATOM 316 CA SER A 26 7.608 15.029 -6.289 1.00 0.00 C ATOM 317 C SER A 26 6.992 15.216 -4.906 1.00 0.00 C ATOM 318 O SER A 26 7.678 15.088 -3.889 1.00 0.00 O ATOM 319 CB SER A 26 7.758 16.386 -6.980 1.00 0.00 C ATOM 320 OG SER A 26 6.495 16.985 -7.207 1.00 0.00 O ATOM 0 H SER A 26 6.465 14.541 -7.980 1.00 0.00 H new ATOM 0 HA SER A 26 8.592 14.578 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.371 17.045 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.279 16.259 -7.929 1.00 0.00 H new ATOM 0 HG SER A 26 6.618 17.851 -7.648 1.00 0.00 H new ATOM 326 N LYS A 27 5.699 15.521 -4.871 1.00 0.00 N ATOM 327 CA LYS A 27 4.998 15.726 -3.608 1.00 0.00 C ATOM 328 C LYS A 27 5.064 14.467 -2.747 1.00 0.00 C ATOM 329 O LYS A 27 5.383 14.534 -1.559 1.00 0.00 O ATOM 330 CB LYS A 27 3.541 16.117 -3.870 1.00 0.00 C ATOM 331 CG LYS A 27 2.745 16.399 -2.606 1.00 0.00 C ATOM 332 CD LYS A 27 1.337 16.875 -2.931 1.00 0.00 C ATOM 333 CE LYS A 27 0.534 17.146 -1.670 1.00 0.00 C ATOM 334 NZ LYS A 27 1.188 18.166 -0.804 1.00 0.00 N ATOM 0 H LYS A 27 5.116 15.632 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 27 5.487 16.537 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.521 17.002 -4.506 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.053 15.315 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.694 15.496 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.258 17.155 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.389 17.783 -3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.828 16.122 -3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.465 17.487 -1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.413 16.219 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.460 18.711 -0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.806 17.692 -0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.756 18.809 -1.393 1.00 0.00 H new ATOM 348 N LEU A 28 4.774 13.321 -3.356 1.00 0.00 N ATOM 349 CA LEU A 28 4.813 12.046 -2.646 1.00 0.00 C ATOM 350 C LEU A 28 6.200 11.797 -2.064 1.00 0.00 C ATOM 351 O LEU A 28 6.333 11.329 -0.933 1.00 0.00 O ATOM 352 CB LEU A 28 4.424 10.902 -3.586 1.00 0.00 C ATOM 353 CG LEU A 28 2.970 10.921 -4.063 1.00 0.00 C ATOM 354 CD1 LEU A 28 2.733 9.830 -5.096 1.00 0.00 C ATOM 355 CD2 LEU A 28 2.022 10.751 -2.885 1.00 0.00 C ATOM 0 H LEU A 28 4.510 13.249 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 28 4.096 12.088 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.077 10.931 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.612 9.956 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 28 2.774 11.886 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.694 9.859 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.388 9.991 -5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.947 8.857 -4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.992 10.767 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.221 9.799 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.173 11.565 -2.176 1.00 0.00 H new ATOM 367 N GLN A 29 7.227 12.123 -2.842 1.00 0.00 N ATOM 368 CA GLN A 29 8.607 11.945 -2.405 1.00 0.00 C ATOM 369 C GLN A 29 8.871 12.757 -1.142 1.00 0.00 C ATOM 370 O GLN A 29 9.490 12.269 -0.198 1.00 0.00 O ATOM 371 CB GLN A 29 9.572 12.374 -3.513 1.00 0.00 C ATOM 372 CG GLN A 29 11.023 12.028 -3.221 1.00 0.00 C ATOM 373 CD GLN A 29 11.260 10.532 -3.153 1.00 0.00 C ATOM 374 OE1 GLN A 29 10.661 9.833 -2.336 1.00 0.00 O ATOM 375 NE2 GLN A 29 12.137 10.032 -4.015 1.00 0.00 N ATOM 0 H GLN A 29 7.129 12.512 -3.780 1.00 0.00 H new ATOM 0 HA GLN A 29 8.768 10.890 -2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.274 11.898 -4.447 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.486 13.450 -3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.659 12.459 -3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.319 12.483 -2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.611 10.648 -4.675 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.337 9.032 -4.017 1.00 0.00 H new ATOM 384 N VAL A 30 8.392 13.998 -1.134 1.00 0.00 N ATOM 385 CA VAL A 30 8.568 14.881 0.013 1.00 0.00 C ATOM 386 C VAL A 30 7.931 14.290 1.268 1.00 0.00 C ATOM 387 O VAL A 30 8.550 14.258 2.332 1.00 0.00 O ATOM 388 CB VAL A 30 7.962 16.273 -0.253 1.00 0.00 C ATOM 389 CG1 VAL A 30 8.077 17.159 0.977 1.00 0.00 C ATOM 390 CG2 VAL A 30 8.636 16.927 -1.448 1.00 0.00 C ATOM 0 H VAL A 30 7.878 14.414 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 30 9.642 14.984 0.171 1.00 0.00 H new ATOM 0 HB VAL A 30 6.904 16.145 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.642 18.136 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.544 16.698 1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.127 17.279 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.196 17.909 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.702 17.037 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.494 16.305 -2.331 1.00 0.00 H new ATOM 400 N HIS A 31 6.692 13.823 1.139 1.00 0.00 N ATOM 401 CA HIS A 31 5.975 13.235 2.266 1.00 0.00 C ATOM 402 C HIS A 31 6.708 12.013 2.811 1.00 0.00 C ATOM 403 O HIS A 31 6.837 11.845 4.022 1.00 0.00 O ATOM 404 CB HIS A 31 4.555 12.845 1.851 1.00 0.00 C ATOM 405 CG HIS A 31 3.703 14.013 1.466 1.00 0.00 C ATOM 406 ND1 HIS A 31 3.431 15.061 2.321 1.00 0.00 N ATOM 407 CD2 HIS A 31 3.059 14.299 0.310 1.00 0.00 C ATOM 408 CE1 HIS A 31 2.658 15.938 1.707 1.00 0.00 C ATOM 409 NE2 HIS A 31 2.420 15.500 0.487 1.00 0.00 N ATOM 0 H HIS A 31 6.164 13.840 0.266 1.00 0.00 H new ATOM 0 HA HIS A 31 5.925 13.986 3.055 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.608 12.152 1.011 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.078 12.313 2.674 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.774 15.145 3.278 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.050 13.694 -0.585 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.284 16.858 2.132 1.00 0.00 H new ATOM 418 N LEU A 32 7.180 11.162 1.907 1.00 0.00 N ATOM 419 CA LEU A 32 7.895 9.952 2.294 1.00 0.00 C ATOM 420 C LEU A 32 9.175 10.287 3.057 1.00 0.00 C ATOM 421 O LEU A 32 9.478 9.672 4.080 1.00 0.00 O ATOM 422 CB LEU A 32 8.227 9.114 1.056 1.00 0.00 C ATOM 423 CG LEU A 32 8.908 7.774 1.338 1.00 0.00 C ATOM 424 CD1 LEU A 32 8.017 6.891 2.200 1.00 0.00 C ATOM 425 CD2 LEU A 32 9.256 7.072 0.035 1.00 0.00 C ATOM 0 H LEU A 32 7.080 11.288 0.900 1.00 0.00 H new ATOM 0 HA LEU A 32 7.247 9.375 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.304 8.926 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.873 9.701 0.403 1.00 0.00 H new ATOM 0 HG LEU A 32 9.831 7.965 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.519 5.942 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.816 7.391 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.076 6.706 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.740 6.120 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.345 6.894 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.933 7.698 -0.546 1.00 0.00 H new ATOM 437 N LEU A 33 9.921 11.266 2.553 1.00 0.00 N ATOM 438 CA LEU A 33 11.168 11.684 3.186 1.00 0.00 C ATOM 439 C LEU A 33 10.922 12.189 4.603 1.00 0.00 C ATOM 440 O LEU A 33 11.640 11.827 5.536 1.00 0.00 O ATOM 441 CB LEU A 33 11.842 12.783 2.361 1.00 0.00 C ATOM 442 CG LEU A 33 12.283 12.370 0.956 1.00 0.00 C ATOM 443 CD1 LEU A 33 12.802 13.577 0.191 1.00 0.00 C ATOM 444 CD2 LEU A 33 13.350 11.286 1.024 1.00 0.00 C ATOM 0 H LEU A 33 9.683 11.785 1.708 1.00 0.00 H new ATOM 0 HA LEU A 33 11.824 10.815 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.153 13.624 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.715 13.141 2.907 1.00 0.00 H new ATOM 0 HG LEU A 33 11.419 11.966 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.113 13.269 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.012 14.324 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.654 14.004 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.650 11.007 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.216 11.662 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.949 10.413 1.538 1.00 0.00 H new ATOM 456 N GLU A 34 9.907 13.033 4.756 1.00 0.00 N ATOM 457 CA GLU A 34 9.568 13.598 6.056 1.00 0.00 C ATOM 458 C GLU A 34 9.189 12.503 7.051 1.00 0.00 C ATOM 459 O GLU A 34 9.698 12.472 8.172 1.00 0.00 O ATOM 460 CB GLU A 34 8.422 14.601 5.912 1.00 0.00 C ATOM 461 CG GLU A 34 8.746 15.766 4.988 1.00 0.00 C ATOM 462 CD GLU A 34 9.872 16.640 5.510 1.00 0.00 C ATOM 463 OE1 GLU A 34 11.005 16.131 5.654 1.00 0.00 O ATOM 464 OE2 GLU A 34 9.622 17.834 5.774 1.00 0.00 O ATOM 0 H GLU A 34 9.304 13.341 3.993 1.00 0.00 H new ATOM 0 HA GLU A 34 10.447 14.114 6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.541 14.082 5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.164 14.990 6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.019 15.379 4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.852 16.376 4.853 1.00 0.00 H new ATOM 471 N ASN A 35 8.300 11.604 6.637 1.00 0.00 N ATOM 472 CA ASN A 35 7.866 10.508 7.500 1.00 0.00 C ATOM 473 C ASN A 35 8.847 9.340 7.438 1.00 0.00 C ATOM 474 O ASN A 35 8.469 8.191 7.660 1.00 0.00 O ATOM 475 CB ASN A 35 6.468 10.039 7.100 1.00 0.00 C ATOM 476 CG ASN A 35 5.425 11.130 7.253 1.00 0.00 C ATOM 477 OD1 ASN A 35 5.197 11.638 8.351 1.00 0.00 O ATOM 478 ND2 ASN A 35 4.788 11.499 6.147 1.00 0.00 N ATOM 0 H ASN A 35 7.867 11.612 5.713 1.00 0.00 H new ATOM 0 HA ASN A 35 7.838 10.877 8.525 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.485 9.699 6.065 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.186 9.183 7.712 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.078 12.230 6.187 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.009 11.051 5.258 1.00 0.00 H new ATOM 485 N ASN A 36 10.107 9.657 7.146 1.00 0.00 N ATOM 486 CA ASN A 36 11.174 8.663 7.056 1.00 0.00 C ATOM 487 C ASN A 36 10.944 7.679 5.910 1.00 0.00 C ATOM 488 O ASN A 36 11.631 7.736 4.891 1.00 0.00 O ATOM 489 CB ASN A 36 11.310 7.903 8.378 1.00 0.00 C ATOM 490 CG ASN A 36 11.690 8.815 9.529 1.00 0.00 C ATOM 491 OD1 ASN A 36 12.741 9.455 9.508 1.00 0.00 O ATOM 492 ND2 ASN A 36 10.834 8.877 10.542 1.00 0.00 N ATOM 0 H ASN A 36 10.417 10.612 6.965 1.00 0.00 H new ATOM 0 HA ASN A 36 12.100 9.201 6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.368 7.405 8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.064 7.123 8.271 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.036 9.473 11.345 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.974 8.329 10.517 1.00 0.00 H new ATOM 499 N ASN A 37 9.981 6.780 6.088 1.00 0.00 N ATOM 500 CA ASN A 37 9.662 5.773 5.077 1.00 0.00 C ATOM 501 C ASN A 37 8.280 5.160 5.302 1.00 0.00 C ATOM 502 O ASN A 37 7.626 4.736 4.350 1.00 0.00 O ATOM 503 CB ASN A 37 10.709 4.651 5.081 1.00 0.00 C ATOM 504 CG ASN A 37 12.069 5.104 4.589 1.00 0.00 C ATOM 505 OD1 ASN A 37 12.219 5.529 3.443 1.00 0.00 O ATOM 506 ND2 ASN A 37 13.071 5.017 5.456 1.00 0.00 N ATOM 0 H ASN A 37 9.404 6.727 6.927 1.00 0.00 H new ATOM 0 HA ASN A 37 9.666 6.281 4.113 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.808 4.258 6.093 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.357 3.832 4.454 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.009 5.308 5.182 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.902 4.659 6.396 1.00 0.00 H new ATOM 513 N ASP A 38 7.856 5.093 6.566 1.00 0.00 N ATOM 514 CA ASP A 38 6.563 4.506 6.922 1.00 0.00 C ATOM 515 C ASP A 38 5.479 4.872 5.913 1.00 0.00 C ATOM 516 O ASP A 38 5.213 6.047 5.664 1.00 0.00 O ATOM 517 CB ASP A 38 6.142 4.967 8.319 1.00 0.00 C ATOM 518 CG ASP A 38 7.140 4.564 9.388 1.00 0.00 C ATOM 519 OD1 ASP A 38 8.310 4.990 9.300 1.00 0.00 O ATOM 520 OD2 ASP A 38 6.750 3.822 10.313 1.00 0.00 O ATOM 0 H ASP A 38 8.391 5.439 7.362 1.00 0.00 H new ATOM 0 HA ASP A 38 6.681 3.422 6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.029 6.051 8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.166 4.544 8.559 1.00 0.00 H new ATOM 525 N LEU A 39 4.856 3.845 5.337 1.00 0.00 N ATOM 526 CA LEU A 39 3.797 4.037 4.355 1.00 0.00 C ATOM 527 C LEU A 39 2.443 4.229 5.029 1.00 0.00 C ATOM 528 O LEU A 39 1.655 5.080 4.623 1.00 0.00 O ATOM 529 CB LEU A 39 3.745 2.850 3.389 1.00 0.00 C ATOM 530 CG LEU A 39 4.938 2.745 2.437 1.00 0.00 C ATOM 531 CD1 LEU A 39 4.820 1.505 1.564 1.00 0.00 C ATOM 532 CD2 LEU A 39 5.040 3.995 1.575 1.00 0.00 C ATOM 0 H LEU A 39 5.070 2.868 5.537 1.00 0.00 H new ATOM 0 HA LEU A 39 4.023 4.943 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.679 1.930 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.832 2.920 2.798 1.00 0.00 H new ATOM 0 HG LEU A 39 5.847 2.659 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.678 1.449 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.794 0.617 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.904 1.560 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.894 3.905 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.128 4.109 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.172 4.868 2.214 1.00 0.00 H new ATOM 544 N ASP A 40 2.176 3.432 6.059 1.00 0.00 N ATOM 545 CA ASP A 40 0.912 3.520 6.780 1.00 0.00 C ATOM 546 C ASP A 40 0.714 4.911 7.376 1.00 0.00 C ATOM 547 O ASP A 40 -0.387 5.458 7.334 1.00 0.00 O ATOM 548 CB ASP A 40 0.848 2.462 7.883 1.00 0.00 C ATOM 549 CG ASP A 40 -0.471 2.484 8.631 1.00 0.00 C ATOM 550 OD1 ASP A 40 -0.752 3.491 9.314 1.00 0.00 O ATOM 551 OD2 ASP A 40 -1.229 1.497 8.525 1.00 0.00 O ATOM 0 H ASP A 40 2.816 2.720 6.412 1.00 0.00 H new ATOM 0 HA ASP A 40 0.108 3.336 6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.997 1.475 7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.664 2.625 8.587 1.00 0.00 H new ATOM 556 N LEU A 41 1.779 5.477 7.934 1.00 0.00 N ATOM 557 CA LEU A 41 1.707 6.804 8.539 1.00 0.00 C ATOM 558 C LEU A 41 1.485 7.870 7.467 1.00 0.00 C ATOM 559 O LEU A 41 0.519 8.636 7.529 1.00 0.00 O ATOM 560 CB LEU A 41 2.992 7.096 9.327 1.00 0.00 C ATOM 561 CG LEU A 41 2.933 8.289 10.292 1.00 0.00 C ATOM 562 CD1 LEU A 41 4.167 8.312 11.180 1.00 0.00 C ATOM 563 CD2 LEU A 41 2.812 9.606 9.533 1.00 0.00 C ATOM 0 H LEU A 41 2.700 5.040 7.980 1.00 0.00 H new ATOM 0 HA LEU A 41 0.862 6.828 9.227 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.255 6.205 9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.800 7.269 8.616 1.00 0.00 H new ATOM 0 HG LEU A 41 2.047 8.172 10.916 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.111 9.163 11.859 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.216 7.389 11.758 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.059 8.400 10.560 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.772 10.433 10.243 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.675 9.730 8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.902 9.598 8.934 1.00 0.00 H new ATOM 575 N THR A 42 2.383 7.915 6.486 1.00 0.00 N ATOM 576 CA THR A 42 2.284 8.888 5.403 1.00 0.00 C ATOM 577 C THR A 42 0.949 8.763 4.683 1.00 0.00 C ATOM 578 O THR A 42 0.126 9.678 4.712 1.00 0.00 O ATOM 579 CB THR A 42 3.421 8.706 4.377 1.00 0.00 C ATOM 580 OG1 THR A 42 4.692 8.865 5.018 1.00 0.00 O ATOM 581 CG2 THR A 42 3.294 9.709 3.239 1.00 0.00 C ATOM 0 H THR A 42 3.186 7.290 6.419 1.00 0.00 H new ATOM 0 HA THR A 42 2.366 9.877 5.855 1.00 0.00 H new ATOM 0 HB THR A 42 3.345 7.700 3.963 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.031 7.988 5.295 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.108 9.559 2.530 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.340 9.565 2.732 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.343 10.722 3.639 1.00 0.00 H new ATOM 589 N ILE A 43 0.739 7.617 4.045 1.00 0.00 N ATOM 590 CA ILE A 43 -0.496 7.361 3.320 1.00 0.00 C ATOM 591 C ILE A 43 -1.705 7.541 4.230 1.00 0.00 C ATOM 592 O ILE A 43 -2.736 8.061 3.807 1.00 0.00 O ATOM 593 CB ILE A 43 -0.516 5.944 2.721 1.00 0.00 C ATOM 594 CG1 ILE A 43 0.685 5.746 1.797 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.816 5.711 1.969 1.00 0.00 C ATOM 596 CD1 ILE A 43 0.761 4.364 1.182 1.00 0.00 C ATOM 0 H ILE A 43 1.411 6.850 4.016 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.545 8.084 2.506 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.452 5.217 3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.644 6.487 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.599 5.934 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.818 4.705 1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.657 5.821 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.906 6.440 1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.639 4.300 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.835 3.617 1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.136 4.179 0.591 1.00 0.00 H new ATOM 608 N GLY A 44 -1.565 7.114 5.484 1.00 0.00 N ATOM 609 CA GLY A 44 -2.652 7.248 6.434 1.00 0.00 C ATOM 610 C GLY A 44 -3.176 8.666 6.487 1.00 0.00 C ATOM 611 O GLY A 44 -4.384 8.894 6.414 1.00 0.00 O ATOM 0 H GLY A 44 -0.720 6.679 5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.461 6.571 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.309 6.949 7.425 1.00 0.00 H new ATOM 615 N LEU A 45 -2.260 9.624 6.595 1.00 0.00 N ATOM 616 CA LEU A 45 -2.635 11.031 6.634 1.00 0.00 C ATOM 617 C LEU A 45 -3.215 11.455 5.289 1.00 0.00 C ATOM 618 O LEU A 45 -4.174 12.226 5.232 1.00 0.00 O ATOM 619 CB LEU A 45 -1.424 11.899 6.988 1.00 0.00 C ATOM 620 CG LEU A 45 -1.727 13.386 7.186 1.00 0.00 C ATOM 621 CD1 LEU A 45 -2.691 13.587 8.345 1.00 0.00 C ATOM 622 CD2 LEU A 45 -0.439 14.162 7.424 1.00 0.00 C ATOM 0 H LEU A 45 -1.257 9.451 6.657 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.394 11.169 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.973 11.511 7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.680 11.798 6.198 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.198 13.765 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.894 14.651 8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.623 13.062 8.138 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.248 13.193 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.671 15.218 7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.057 13.779 8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.220 14.045 6.564 1.00 0.00 H new ATOM 634 N LEU A 46 -2.633 10.936 4.206 1.00 0.00 N ATOM 635 CA LEU A 46 -3.100 11.252 2.857 1.00 0.00 C ATOM 636 C LEU A 46 -4.584 10.928 2.704 1.00 0.00 C ATOM 637 O LEU A 46 -5.345 11.726 2.159 1.00 0.00 O ATOM 638 CB LEU A 46 -2.290 10.483 1.807 1.00 0.00 C ATOM 639 CG LEU A 46 -1.036 11.190 1.277 1.00 0.00 C ATOM 640 CD1 LEU A 46 -1.405 12.497 0.596 1.00 0.00 C ATOM 641 CD2 LEU A 46 -0.034 11.437 2.392 1.00 0.00 C ATOM 0 H LEU A 46 -1.839 10.296 4.238 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.957 12.321 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.990 9.527 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.943 10.262 0.963 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.569 10.535 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.502 12.983 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.075 12.295 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.903 13.152 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.845 11.939 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.490 12.064 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.263 10.485 2.832 1.00 0.00 H new ATOM 653 N LEU A 47 -4.991 9.756 3.192 1.00 0.00 N ATOM 654 CA LEU A 47 -6.388 9.341 3.111 1.00 0.00 C ATOM 655 C LEU A 47 -7.282 10.414 3.721 1.00 0.00 C ATOM 656 O LEU A 47 -8.259 10.852 3.114 1.00 0.00 O ATOM 657 CB LEU A 47 -6.606 8.025 3.853 1.00 0.00 C ATOM 658 CG LEU A 47 -5.656 6.889 3.469 1.00 0.00 C ATOM 659 CD1 LEU A 47 -5.964 5.643 4.285 1.00 0.00 C ATOM 660 CD2 LEU A 47 -5.747 6.591 1.980 1.00 0.00 C ATOM 0 H LEU A 47 -4.375 9.081 3.645 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.642 9.200 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.509 8.211 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.630 7.694 3.678 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.636 7.204 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.280 4.843 4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.843 5.864 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.990 5.328 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.063 5.780 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.766 6.297 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.477 7.482 1.413 1.00 0.00 H new ATOM 672 N LYS A 48 -6.926 10.826 4.935 1.00 0.00 N ATOM 673 CA LYS A 48 -7.667 11.844 5.661 1.00 0.00 C ATOM 674 C LYS A 48 -7.278 13.243 5.179 1.00 0.00 C ATOM 675 O LYS A 48 -7.084 14.157 5.980 1.00 0.00 O ATOM 676 CB LYS A 48 -7.389 11.700 7.159 1.00 0.00 C ATOM 677 CG LYS A 48 -8.304 12.536 8.031 1.00 0.00 C ATOM 678 CD LYS A 48 -8.069 12.283 9.513 1.00 0.00 C ATOM 679 CE LYS A 48 -6.663 12.676 9.942 1.00 0.00 C ATOM 680 NZ LYS A 48 -6.445 12.453 11.398 1.00 0.00 N ATOM 0 H LYS A 48 -6.117 10.462 5.439 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.733 11.709 5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.492 10.652 7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.355 11.983 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.145 13.592 7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.342 12.313 7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.797 12.846 10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.233 11.228 9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.935 12.098 9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.491 13.726 9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.476 12.733 11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.123 13.024 11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.584 11.446 11.620 1.00 0.00 H new ATOM 694 N GLU A 49 -7.158 13.401 3.864 1.00 0.00 N ATOM 695 CA GLU A 49 -6.787 14.686 3.282 1.00 0.00 C ATOM 696 C GLU A 49 -7.831 15.749 3.602 1.00 0.00 C ATOM 697 O GLU A 49 -7.495 16.860 4.014 1.00 0.00 O ATOM 698 CB GLU A 49 -6.614 14.554 1.767 1.00 0.00 C ATOM 699 CG GLU A 49 -6.147 15.835 1.092 1.00 0.00 C ATOM 700 CD GLU A 49 -5.953 15.671 -0.403 1.00 0.00 C ATOM 701 OE1 GLU A 49 -6.935 15.336 -1.097 1.00 0.00 O ATOM 702 OE2 GLU A 49 -4.817 15.880 -0.880 1.00 0.00 O ATOM 0 H GLU A 49 -7.312 12.657 3.183 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.838 14.996 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.895 13.761 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.563 14.247 1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.876 16.624 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.208 16.157 1.543 1.00 0.00 H new ATOM 782 N MET B 1 -17.804 -11.556 -9.590 1.00 0.00 N ATOM 783 CA MET B 1 -16.958 -10.335 -9.646 1.00 0.00 C ATOM 784 C MET B 1 -15.674 -10.516 -8.843 1.00 0.00 C ATOM 785 O MET B 1 -15.708 -10.916 -7.680 1.00 0.00 O ATOM 786 CB MET B 1 -17.768 -9.160 -9.092 1.00 0.00 C ATOM 787 CG MET B 1 -16.997 -7.851 -9.042 1.00 0.00 C ATOM 788 SD MET B 1 -17.977 -6.498 -8.363 1.00 0.00 S ATOM 789 CE MET B 1 -16.778 -5.168 -8.377 1.00 0.00 C ATOM 0 H1 MET B 1 -18.670 -11.404 -10.145 1.00 0.00 H new ATOM 0 H2 MET B 1 -17.277 -12.362 -9.984 1.00 0.00 H new ATOM 0 H3 MET B 1 -18.057 -11.758 -8.602 1.00 0.00 H new ATOM 0 HA MET B 1 -16.672 -10.142 -10.680 1.00 0.00 H new ATOM 0 HB2 MET B 1 -18.658 -9.023 -9.706 1.00 0.00 H new ATOM 0 HB3 MET B 1 -18.109 -9.408 -8.087 1.00 0.00 H new ATOM 0 HG2 MET B 1 -16.100 -7.984 -8.438 1.00 0.00 H new ATOM 0 HG3 MET B 1 -16.668 -7.588 -10.047 1.00 0.00 H new ATOM 0 HE1 MET B 1 -17.092 -4.388 -7.684 1.00 0.00 H new ATOM 0 HE2 MET B 1 -15.804 -5.553 -8.074 1.00 0.00 H new ATOM 0 HE3 MET B 1 -16.707 -4.753 -9.382 1.00 0.00 H new ATOM 801 N GLN B 2 -14.542 -10.217 -9.474 1.00 0.00 N ATOM 802 CA GLN B 2 -13.243 -10.343 -8.822 1.00 0.00 C ATOM 803 C GLN B 2 -12.685 -8.974 -8.442 1.00 0.00 C ATOM 804 O GLN B 2 -12.952 -7.979 -9.113 1.00 0.00 O ATOM 805 CB GLN B 2 -12.255 -11.071 -9.736 1.00 0.00 C ATOM 806 CG GLN B 2 -12.702 -12.470 -10.132 1.00 0.00 C ATOM 807 CD GLN B 2 -11.671 -13.192 -10.979 1.00 0.00 C ATOM 808 OE1 GLN B 2 -10.540 -13.412 -10.547 1.00 0.00 O ATOM 809 NE2 GLN B 2 -12.058 -13.564 -12.194 1.00 0.00 N ATOM 0 H GLN B 2 -14.499 -9.885 -10.438 1.00 0.00 H new ATOM 0 HA GLN B 2 -13.381 -10.925 -7.911 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -12.105 -10.478 -10.638 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -11.290 -11.137 -9.234 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -12.901 -13.053 -9.232 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -13.640 -12.406 -10.684 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -13.006 -13.361 -12.512 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -11.407 -14.053 -12.809 1.00 0.00 H new ATOM 818 N ILE B 3 -11.902 -8.934 -7.368 1.00 0.00 N ATOM 819 CA ILE B 3 -11.296 -7.690 -6.905 1.00 0.00 C ATOM 820 C ILE B 3 -9.839 -7.916 -6.514 1.00 0.00 C ATOM 821 O ILE B 3 -9.511 -8.888 -5.831 1.00 0.00 O ATOM 822 CB ILE B 3 -12.059 -7.085 -5.708 1.00 0.00 C ATOM 823 CG1 ILE B 3 -12.075 -8.059 -4.526 1.00 0.00 C ATOM 824 CG2 ILE B 3 -13.477 -6.716 -6.120 1.00 0.00 C ATOM 825 CD1 ILE B 3 -12.714 -7.489 -3.276 1.00 0.00 C ATOM 0 H ILE B 3 -11.672 -9.750 -6.801 1.00 0.00 H new ATOM 0 HA ILE B 3 -11.349 -6.984 -7.734 1.00 0.00 H new ATOM 0 HB ILE B 3 -11.543 -6.179 -5.391 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -12.611 -8.962 -4.818 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -11.051 -8.356 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -14.005 -6.290 -5.267 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -13.443 -5.984 -6.927 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -14.001 -7.609 -6.462 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -12.689 -8.235 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -12.165 -6.603 -2.958 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -13.749 -7.218 -3.487 1.00 0.00 H new ATOM 837 N PHE B 4 -8.967 -7.021 -6.967 1.00 0.00 N ATOM 838 CA PHE B 4 -7.540 -7.126 -6.682 1.00 0.00 C ATOM 839 C PHE B 4 -7.165 -6.347 -5.425 1.00 0.00 C ATOM 840 O PHE B 4 -7.770 -5.321 -5.116 1.00 0.00 O ATOM 841 CB PHE B 4 -6.717 -6.629 -7.875 1.00 0.00 C ATOM 842 CG PHE B 4 -6.861 -7.475 -9.115 1.00 0.00 C ATOM 843 CD1 PHE B 4 -8.113 -7.776 -9.634 1.00 0.00 C ATOM 844 CD2 PHE B 4 -5.739 -7.964 -9.765 1.00 0.00 C ATOM 845 CE1 PHE B 4 -8.240 -8.550 -10.772 1.00 0.00 C ATOM 846 CE2 PHE B 4 -5.861 -8.737 -10.904 1.00 0.00 C ATOM 847 CZ PHE B 4 -7.113 -9.030 -11.408 1.00 0.00 C ATOM 0 H PHE B 4 -9.224 -6.213 -7.534 1.00 0.00 H new ATOM 0 HA PHE B 4 -7.314 -8.178 -6.508 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -7.015 -5.607 -8.108 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -5.666 -6.597 -7.590 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -8.998 -7.401 -9.143 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -4.757 -7.738 -9.377 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -9.220 -8.779 -11.163 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -4.978 -9.112 -11.400 1.00 0.00 H new ATOM 0 HZ PHE B 4 -7.210 -9.634 -12.298 1.00 0.00 H new ATOM 857 N VAL B 5 -6.162 -6.841 -4.705 1.00 0.00 N ATOM 858 CA VAL B 5 -5.699 -6.193 -3.484 1.00 0.00 C ATOM 859 C VAL B 5 -4.177 -6.060 -3.492 1.00 0.00 C ATOM 860 O VAL B 5 -3.467 -6.838 -2.854 1.00 0.00 O ATOM 861 CB VAL B 5 -6.139 -6.969 -2.225 1.00 0.00 C ATOM 862 CG1 VAL B 5 -5.734 -6.224 -0.963 1.00 0.00 C ATOM 863 CG2 VAL B 5 -7.641 -7.215 -2.247 1.00 0.00 C ATOM 0 H VAL B 5 -5.653 -7.691 -4.948 1.00 0.00 H new ATOM 0 HA VAL B 5 -6.152 -5.202 -3.453 1.00 0.00 H new ATOM 0 HB VAL B 5 -5.633 -7.935 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -6.054 -6.790 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -4.651 -6.106 -0.942 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.206 -5.242 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -7.933 -7.763 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.166 -6.260 -2.275 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.901 -7.798 -3.130 1.00 0.00 H new ATOM 873 N LYS B 6 -3.686 -5.071 -4.234 1.00 0.00 N ATOM 874 CA LYS B 6 -2.251 -4.830 -4.347 1.00 0.00 C ATOM 875 C LYS B 6 -1.651 -4.407 -3.009 1.00 0.00 C ATOM 876 O LYS B 6 -2.091 -3.434 -2.397 1.00 0.00 O ATOM 877 CB LYS B 6 -1.987 -3.753 -5.403 1.00 0.00 C ATOM 878 CG LYS B 6 -0.518 -3.595 -5.756 1.00 0.00 C ATOM 879 CD LYS B 6 -0.323 -2.608 -6.895 1.00 0.00 C ATOM 880 CE LYS B 6 1.149 -2.413 -7.218 1.00 0.00 C ATOM 881 NZ LYS B 6 1.350 -1.452 -8.337 1.00 0.00 N ATOM 0 H LYS B 6 -4.264 -4.421 -4.768 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.774 -5.762 -4.649 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -2.545 -3.998 -6.307 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -2.370 -2.799 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS B 6 0.034 -3.255 -4.880 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -0.104 -4.563 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -0.847 -2.966 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -0.768 -1.650 -6.627 1.00 0.00 H new ATOM 0 HE2 LYS B 6 1.670 -2.052 -6.331 1.00 0.00 H new ATOM 0 HE3 LYS B 6 1.593 -3.373 -7.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 2.267 -0.974 -8.223 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 1.337 -1.965 -9.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 0.587 -0.745 -8.329 1.00 0.00 H new ATOM 895 N THR B 7 -0.637 -5.146 -2.569 1.00 0.00 N ATOM 896 CA THR B 7 0.042 -4.857 -1.309 1.00 0.00 C ATOM 897 C THR B 7 1.189 -3.874 -1.520 1.00 0.00 C ATOM 898 O THR B 7 1.768 -3.813 -2.604 1.00 0.00 O ATOM 899 CB THR B 7 0.596 -6.142 -0.665 1.00 0.00 C ATOM 900 OG1 THR B 7 1.564 -6.746 -1.531 1.00 0.00 O ATOM 901 CG2 THR B 7 -0.524 -7.135 -0.383 1.00 0.00 C ATOM 0 H THR B 7 -0.266 -5.954 -3.069 1.00 0.00 H new ATOM 0 HA THR B 7 -0.697 -4.414 -0.642 1.00 0.00 H new ATOM 0 HB THR B 7 1.069 -5.872 0.279 1.00 0.00 H new ATOM 0 HG1 THR B 7 2.433 -6.778 -1.079 1.00 0.00 H new ATOM 0 HG21 THR B 7 -0.107 -8.034 0.072 1.00 0.00 H new ATOM 0 HG22 THR B 7 -1.246 -6.685 0.298 1.00 0.00 H new ATOM 0 HG23 THR B 7 -1.021 -7.398 -1.317 1.00 0.00 H new ATOM 909 N LEU B 8 1.516 -3.110 -0.478 1.00 0.00 N ATOM 910 CA LEU B 8 2.602 -2.137 -0.559 1.00 0.00 C ATOM 911 C LEU B 8 3.874 -2.791 -1.094 1.00 0.00 C ATOM 912 O LEU B 8 4.648 -2.165 -1.817 1.00 0.00 O ATOM 913 CB LEU B 8 2.886 -1.519 0.816 1.00 0.00 C ATOM 914 CG LEU B 8 1.762 -0.666 1.411 1.00 0.00 C ATOM 915 CD1 LEU B 8 2.141 -0.200 2.808 1.00 0.00 C ATOM 916 CD2 LEU B 8 1.460 0.532 0.522 1.00 0.00 C ATOM 0 H LEU B 8 1.047 -3.146 0.427 1.00 0.00 H new ATOM 0 HA LEU B 8 2.289 -1.349 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU B 8 3.114 -2.324 1.515 1.00 0.00 H new ATOM 0 HB3 LEU B 8 3.781 -0.902 0.738 1.00 0.00 H new ATOM 0 HG LEU B 8 0.864 -1.280 1.473 1.00 0.00 H new ATOM 0 HD11 LEU B 8 1.334 0.406 3.221 1.00 0.00 H new ATOM 0 HD12 LEU B 8 2.308 -1.067 3.448 1.00 0.00 H new ATOM 0 HD13 LEU B 8 3.053 0.395 2.758 1.00 0.00 H new ATOM 0 HD21 LEU B 8 0.658 1.122 0.966 1.00 0.00 H new ATOM 0 HD22 LEU B 8 2.354 1.148 0.426 1.00 0.00 H new ATOM 0 HD23 LEU B 8 1.151 0.185 -0.464 1.00 0.00 H new ATOM 928 N THR B 9 4.085 -4.053 -0.727 1.00 0.00 N ATOM 929 CA THR B 9 5.266 -4.790 -1.164 1.00 0.00 C ATOM 930 C THR B 9 5.294 -4.957 -2.682 1.00 0.00 C ATOM 931 O THR B 9 6.231 -4.507 -3.343 1.00 0.00 O ATOM 932 CB THR B 9 5.338 -6.180 -0.505 1.00 0.00 C ATOM 933 OG1 THR B 9 4.178 -6.948 -0.845 1.00 0.00 O ATOM 934 CG2 THR B 9 5.444 -6.055 1.008 1.00 0.00 C ATOM 0 H THR B 9 3.453 -4.585 -0.129 1.00 0.00 H new ATOM 0 HA THR B 9 6.130 -4.202 -0.855 1.00 0.00 H new ATOM 0 HB THR B 9 6.228 -6.687 -0.877 1.00 0.00 H new ATOM 0 HG1 THR B 9 4.234 -7.830 -0.422 1.00 0.00 H new ATOM 0 HG21 THR B 9 5.494 -7.049 1.453 1.00 0.00 H new ATOM 0 HG22 THR B 9 6.345 -5.497 1.265 1.00 0.00 H new ATOM 0 HG23 THR B 9 4.570 -5.529 1.392 1.00 0.00 H new ATOM 942 N GLY B 10 4.269 -5.605 -3.231 1.00 0.00 N ATOM 943 CA GLY B 10 4.217 -5.809 -4.669 1.00 0.00 C ATOM 944 C GLY B 10 3.485 -7.079 -5.066 1.00 0.00 C ATOM 945 O GLY B 10 4.052 -7.936 -5.744 1.00 0.00 O ATOM 0 H GLY B 10 3.480 -5.989 -2.711 1.00 0.00 H new ATOM 0 HA2 GLY B 10 3.726 -4.954 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY B 10 5.233 -5.845 -5.062 1.00 0.00 H new ATOM 949 N LYS B 11 2.228 -7.205 -4.651 1.00 0.00 N ATOM 950 CA LYS B 11 1.435 -8.387 -4.981 1.00 0.00 C ATOM 951 C LYS B 11 -0.055 -8.118 -4.798 1.00 0.00 C ATOM 952 O LYS B 11 -0.501 -7.741 -3.715 1.00 0.00 O ATOM 953 CB LYS B 11 1.878 -9.574 -4.113 1.00 0.00 C ATOM 954 CG LYS B 11 1.166 -10.884 -4.429 1.00 0.00 C ATOM 955 CD LYS B 11 -0.196 -10.986 -3.748 1.00 0.00 C ATOM 956 CE LYS B 11 -0.068 -11.229 -2.249 1.00 0.00 C ATOM 957 NZ LYS B 11 0.550 -10.076 -1.538 1.00 0.00 N ATOM 0 H LYS B 11 1.738 -6.509 -4.089 1.00 0.00 H new ATOM 0 HA LYS B 11 1.603 -8.632 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS B 11 2.951 -9.719 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS B 11 1.709 -9.326 -3.065 1.00 0.00 H new ATOM 0 HG2 LYS B 11 1.037 -10.973 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS B 11 1.791 -11.719 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -0.757 -10.067 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -0.767 -11.797 -4.199 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -1.055 -11.424 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS B 11 0.533 -12.122 -2.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 0.275 -10.098 -0.535 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 1.585 -10.136 -1.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 0.222 -9.187 -1.967 1.00 0.00 H new ATOM 971 N THR B 12 -0.820 -8.320 -5.868 1.00 0.00 N ATOM 972 CA THR B 12 -2.263 -8.106 -5.836 1.00 0.00 C ATOM 973 C THR B 12 -3.002 -9.368 -5.402 1.00 0.00 C ATOM 974 O THR B 12 -2.739 -10.458 -5.910 1.00 0.00 O ATOM 975 CB THR B 12 -2.794 -7.667 -7.212 1.00 0.00 C ATOM 976 OG1 THR B 12 -2.544 -8.689 -8.184 1.00 0.00 O ATOM 977 CG2 THR B 12 -2.140 -6.369 -7.659 1.00 0.00 C ATOM 0 H THR B 12 -0.462 -8.633 -6.771 1.00 0.00 H new ATOM 0 HA THR B 12 -2.446 -7.314 -5.110 1.00 0.00 H new ATOM 0 HB THR B 12 -3.868 -7.503 -7.123 1.00 0.00 H new ATOM 0 HG1 THR B 12 -2.887 -8.402 -9.056 1.00 0.00 H new ATOM 0 HG21 THR B 12 -2.533 -6.081 -8.634 1.00 0.00 H new ATOM 0 HG22 THR B 12 -2.356 -5.584 -6.934 1.00 0.00 H new ATOM 0 HG23 THR B 12 -1.062 -6.510 -7.729 1.00 0.00 H new ATOM 985 N ILE B 13 -3.933 -9.213 -4.465 1.00 0.00 N ATOM 986 CA ILE B 13 -4.716 -10.340 -3.972 1.00 0.00 C ATOM 987 C ILE B 13 -6.077 -10.396 -4.660 1.00 0.00 C ATOM 988 O ILE B 13 -6.838 -9.430 -4.629 1.00 0.00 O ATOM 989 CB ILE B 13 -4.923 -10.250 -2.448 1.00 0.00 C ATOM 990 CG1 ILE B 13 -3.571 -10.198 -1.735 1.00 0.00 C ATOM 991 CG2 ILE B 13 -5.751 -11.430 -1.953 1.00 0.00 C ATOM 992 CD1 ILE B 13 -3.676 -9.969 -0.242 1.00 0.00 C ATOM 0 H ILE B 13 -4.163 -8.318 -4.033 1.00 0.00 H new ATOM 0 HA ILE B 13 -4.157 -11.248 -4.201 1.00 0.00 H new ATOM 0 HB ILE B 13 -5.468 -9.334 -2.221 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.041 -11.133 -1.913 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.970 -9.402 -2.174 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -5.888 -11.351 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -6.724 -11.423 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -5.234 -12.361 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -2.677 -9.944 0.193 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -4.177 -9.020 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -4.249 -10.778 0.211 1.00 0.00 H new ATOM 1004 N THR B 14 -6.380 -11.532 -5.279 1.00 0.00 N ATOM 1005 CA THR B 14 -7.652 -11.708 -5.970 1.00 0.00 C ATOM 1006 C THR B 14 -8.710 -12.284 -5.032 1.00 0.00 C ATOM 1007 O THR B 14 -8.448 -13.240 -4.302 1.00 0.00 O ATOM 1008 CB THR B 14 -7.505 -12.628 -7.196 1.00 0.00 C ATOM 1009 OG1 THR B 14 -6.485 -12.122 -8.067 1.00 0.00 O ATOM 1010 CG2 THR B 14 -8.819 -12.731 -7.959 1.00 0.00 C ATOM 0 H THR B 14 -5.763 -12.343 -5.316 1.00 0.00 H new ATOM 0 HA THR B 14 -7.969 -10.721 -6.307 1.00 0.00 H new ATOM 0 HB THR B 14 -7.227 -13.622 -6.844 1.00 0.00 H new ATOM 0 HG1 THR B 14 -6.395 -12.713 -8.844 1.00 0.00 H new ATOM 0 HG21 THR B 14 -8.689 -13.386 -8.820 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.589 -13.140 -7.305 1.00 0.00 H new ATOM 0 HG23 THR B 14 -9.121 -11.740 -8.299 1.00 0.00 H new ATOM 1018 N LEU B 15 -9.906 -11.699 -5.059 1.00 0.00 N ATOM 1019 CA LEU B 15 -11.004 -12.157 -4.209 1.00 0.00 C ATOM 1020 C LEU B 15 -12.351 -11.916 -4.882 1.00 0.00 C ATOM 1021 O LEU B 15 -12.557 -10.896 -5.538 1.00 0.00 O ATOM 1022 CB LEU B 15 -10.971 -11.444 -2.856 1.00 0.00 C ATOM 1023 CG LEU B 15 -9.739 -11.735 -1.996 1.00 0.00 C ATOM 1024 CD1 LEU B 15 -9.668 -10.787 -0.810 1.00 0.00 C ATOM 1025 CD2 LEU B 15 -9.767 -13.174 -1.512 1.00 0.00 C ATOM 0 H LEU B 15 -10.140 -10.908 -5.659 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.877 -13.228 -4.051 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -11.028 -10.369 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.861 -11.725 -2.294 1.00 0.00 H new ATOM 0 HG LEU B 15 -8.851 -11.582 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.784 -11.015 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.609 -9.759 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.560 -10.906 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.886 -13.370 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -10.665 -13.340 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -9.770 -13.846 -2.370 1.00 0.00 H new ATOM 1037 N GLU B 16 -13.259 -12.867 -4.716 1.00 0.00 N ATOM 1038 CA GLU B 16 -14.589 -12.769 -5.311 1.00 0.00 C ATOM 1039 C GLU B 16 -15.598 -12.194 -4.320 1.00 0.00 C ATOM 1040 O GLU B 16 -15.739 -12.693 -3.204 1.00 0.00 O ATOM 1041 CB GLU B 16 -15.057 -14.146 -5.789 1.00 0.00 C ATOM 1042 CG GLU B 16 -16.433 -14.131 -6.437 1.00 0.00 C ATOM 1043 CD GLU B 16 -16.883 -15.510 -6.886 1.00 0.00 C ATOM 1044 OE1 GLU B 16 -16.123 -16.479 -6.681 1.00 0.00 O ATOM 1045 OE2 GLU B 16 -17.996 -15.617 -7.441 1.00 0.00 O ATOM 0 H GLU B 16 -13.101 -13.717 -4.174 1.00 0.00 H new ATOM 0 HA GLU B 16 -14.525 -12.093 -6.164 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -14.333 -14.539 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -15.072 -14.830 -4.941 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -17.159 -13.728 -5.730 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -16.419 -13.460 -7.296 1.00 0.00 H new ATOM 1052 N VAL B 17 -16.307 -11.149 -4.747 1.00 0.00 N ATOM 1053 CA VAL B 17 -17.318 -10.502 -3.914 1.00 0.00 C ATOM 1054 C VAL B 17 -18.376 -9.826 -4.779 1.00 0.00 C ATOM 1055 O VAL B 17 -18.068 -9.268 -5.833 1.00 0.00 O ATOM 1056 CB VAL B 17 -16.708 -9.441 -2.971 1.00 0.00 C ATOM 1057 CG1 VAL B 17 -15.763 -10.077 -1.966 1.00 0.00 C ATOM 1058 CG2 VAL B 17 -15.995 -8.363 -3.771 1.00 0.00 C ATOM 0 H VAL B 17 -16.198 -10.731 -5.671 1.00 0.00 H new ATOM 0 HA VAL B 17 -17.768 -11.290 -3.310 1.00 0.00 H new ATOM 0 HB VAL B 17 -17.523 -8.977 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -15.350 -9.305 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -16.308 -10.804 -1.364 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -14.953 -10.578 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -15.572 -7.625 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -15.196 -8.815 -4.359 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -16.705 -7.876 -4.439 1.00 0.00 H new ATOM 1068 N GLU B 18 -19.624 -9.880 -4.328 1.00 0.00 N ATOM 1069 CA GLU B 18 -20.725 -9.270 -5.063 1.00 0.00 C ATOM 1070 C GLU B 18 -20.594 -7.756 -5.096 1.00 0.00 C ATOM 1071 O GLU B 18 -20.120 -7.142 -4.140 1.00 0.00 O ATOM 1072 CB GLU B 18 -22.067 -9.642 -4.436 1.00 0.00 C ATOM 1073 CG GLU B 18 -22.419 -11.114 -4.546 1.00 0.00 C ATOM 1074 CD GLU B 18 -22.501 -11.598 -5.982 1.00 0.00 C ATOM 1075 OE1 GLU B 18 -21.471 -11.557 -6.687 1.00 0.00 O ATOM 1076 OE2 GLU B 18 -23.600 -12.019 -6.403 1.00 0.00 O ATOM 0 H GLU B 18 -19.898 -10.339 -3.459 1.00 0.00 H new ATOM 0 HA GLU B 18 -20.683 -9.651 -6.083 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -22.053 -9.361 -3.383 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -22.853 -9.056 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -21.672 -11.701 -4.012 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -23.375 -11.291 -4.053 1.00 0.00 H new ATOM 1083 N SER B 19 -21.033 -7.158 -6.194 1.00 0.00 N ATOM 1084 CA SER B 19 -20.982 -5.713 -6.343 1.00 0.00 C ATOM 1085 C SER B 19 -21.841 -5.046 -5.274 1.00 0.00 C ATOM 1086 O SER B 19 -21.510 -3.969 -4.781 1.00 0.00 O ATOM 1087 CB SER B 19 -21.456 -5.303 -7.739 1.00 0.00 C ATOM 1088 OG SER B 19 -22.787 -5.731 -7.974 1.00 0.00 O ATOM 0 H SER B 19 -21.428 -7.652 -6.994 1.00 0.00 H new ATOM 0 HA SER B 19 -19.950 -5.385 -6.219 1.00 0.00 H new ATOM 0 HB2 SER B 19 -21.396 -4.220 -7.843 1.00 0.00 H new ATOM 0 HB3 SER B 19 -20.795 -5.733 -8.491 1.00 0.00 H new ATOM 0 HG SER B 19 -23.066 -5.455 -8.872 1.00 0.00 H new ATOM 1094 N SER B 20 -22.946 -5.701 -4.917 1.00 0.00 N ATOM 1095 CA SER B 20 -23.850 -5.174 -3.901 1.00 0.00 C ATOM 1096 C SER B 20 -23.542 -5.779 -2.534 1.00 0.00 C ATOM 1097 O SER B 20 -24.432 -5.928 -1.695 1.00 0.00 O ATOM 1098 CB SER B 20 -25.302 -5.468 -4.284 1.00 0.00 C ATOM 1099 OG SER B 20 -25.522 -6.862 -4.412 1.00 0.00 O ATOM 0 H SER B 20 -23.234 -6.594 -5.316 1.00 0.00 H new ATOM 0 HA SER B 20 -23.705 -4.095 -3.843 1.00 0.00 H new ATOM 0 HB2 SER B 20 -25.971 -5.059 -3.527 1.00 0.00 H new ATOM 0 HB3 SER B 20 -25.542 -4.971 -5.224 1.00 0.00 H new ATOM 0 HG SER B 20 -26.457 -7.025 -4.655 1.00 0.00 H new ATOM 1105 N ASP B 21 -22.276 -6.124 -2.316 1.00 0.00 N ATOM 1106 CA ASP B 21 -21.851 -6.711 -1.050 1.00 0.00 C ATOM 1107 C ASP B 21 -21.561 -5.616 -0.018 1.00 0.00 C ATOM 1108 O ASP B 21 -22.429 -4.794 0.279 1.00 0.00 O ATOM 1109 CB ASP B 21 -20.620 -7.599 -1.265 1.00 0.00 C ATOM 1110 CG ASP B 21 -20.264 -8.415 -0.035 1.00 0.00 C ATOM 1111 OD1 ASP B 21 -20.991 -8.318 0.975 1.00 0.00 O ATOM 1112 OD2 ASP B 21 -19.257 -9.152 -0.086 1.00 0.00 O ATOM 0 H ASP B 21 -21.528 -6.007 -2.999 1.00 0.00 H new ATOM 0 HA ASP B 21 -22.660 -7.331 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -20.805 -8.273 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -19.770 -6.974 -1.540 1.00 0.00 H new ATOM 1117 N THR B 22 -20.344 -5.609 0.527 1.00 0.00 N ATOM 1118 CA THR B 22 -19.957 -4.616 1.522 1.00 0.00 C ATOM 1119 C THR B 22 -18.466 -4.702 1.830 1.00 0.00 C ATOM 1120 O THR B 22 -17.899 -5.794 1.896 1.00 0.00 O ATOM 1121 CB THR B 22 -20.751 -4.789 2.830 1.00 0.00 C ATOM 1122 OG1 THR B 22 -20.320 -3.824 3.795 1.00 0.00 O ATOM 1123 CG2 THR B 22 -20.574 -6.190 3.395 1.00 0.00 C ATOM 0 H THR B 22 -19.612 -6.280 0.295 1.00 0.00 H new ATOM 0 HA THR B 22 -20.183 -3.638 1.097 1.00 0.00 H new ATOM 0 HB THR B 22 -21.807 -4.637 2.608 1.00 0.00 H new ATOM 0 HG1 THR B 22 -19.832 -4.276 4.514 1.00 0.00 H new ATOM 0 HG21 THR B 22 -21.145 -6.285 4.318 1.00 0.00 H new ATOM 0 HG22 THR B 22 -20.931 -6.922 2.671 1.00 0.00 H new ATOM 0 HG23 THR B 22 -19.519 -6.368 3.601 1.00 0.00 H new ATOM 1131 N ILE B 23 -17.836 -3.544 2.014 1.00 0.00 N ATOM 1132 CA ILE B 23 -16.409 -3.489 2.313 1.00 0.00 C ATOM 1133 C ILE B 23 -16.066 -4.358 3.519 1.00 0.00 C ATOM 1134 O ILE B 23 -15.045 -5.046 3.526 1.00 0.00 O ATOM 1135 CB ILE B 23 -15.944 -2.044 2.588 1.00 0.00 C ATOM 1136 CG1 ILE B 23 -16.263 -1.135 1.396 1.00 0.00 C ATOM 1137 CG2 ILE B 23 -14.454 -2.017 2.896 1.00 0.00 C ATOM 1138 CD1 ILE B 23 -15.597 -1.558 0.103 1.00 0.00 C ATOM 0 H ILE B 23 -18.291 -2.633 1.961 1.00 0.00 H new ATOM 0 HA ILE B 23 -15.889 -3.868 1.433 1.00 0.00 H new ATOM 0 HB ILE B 23 -16.485 -1.669 3.456 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -17.343 -1.114 1.247 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -15.955 -0.117 1.636 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -14.141 -0.991 3.088 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -14.253 -2.628 3.776 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -13.899 -2.413 2.045 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -15.872 -0.865 -0.692 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -14.515 -1.551 0.232 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -15.924 -2.563 -0.163 1.00 0.00 H new ATOM 1150 N ASP B 24 -16.926 -4.323 4.533 1.00 0.00 N ATOM 1151 CA ASP B 24 -16.714 -5.109 5.744 1.00 0.00 C ATOM 1152 C ASP B 24 -16.492 -6.580 5.404 1.00 0.00 C ATOM 1153 O ASP B 24 -15.573 -7.216 5.923 1.00 0.00 O ATOM 1154 CB ASP B 24 -17.910 -4.967 6.689 1.00 0.00 C ATOM 1155 CG ASP B 24 -17.743 -5.775 7.960 1.00 0.00 C ATOM 1156 OD1 ASP B 24 -16.768 -5.525 8.699 1.00 0.00 O ATOM 1157 OD2 ASP B 24 -18.588 -6.659 8.217 1.00 0.00 O ATOM 0 H ASP B 24 -17.776 -3.759 4.540 1.00 0.00 H new ATOM 0 HA ASP B 24 -15.822 -4.729 6.241 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -18.044 -3.916 6.945 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -18.816 -5.288 6.175 1.00 0.00 H new ATOM 1162 N ASN B 25 -17.336 -7.111 4.525 1.00 0.00 N ATOM 1163 CA ASN B 25 -17.226 -8.504 4.111 1.00 0.00 C ATOM 1164 C ASN B 25 -15.876 -8.757 3.448 1.00 0.00 C ATOM 1165 O ASN B 25 -15.233 -9.777 3.694 1.00 0.00 O ATOM 1166 CB ASN B 25 -18.363 -8.867 3.151 1.00 0.00 C ATOM 1167 CG ASN B 25 -18.427 -10.353 2.829 1.00 0.00 C ATOM 1168 OD1 ASN B 25 -17.574 -11.149 3.470 1.00 0.00 O flip ATOM 1169 ND2 ASN B 25 -19.244 -10.783 2.017 1.00 0.00 N flip ATOM 0 H ASN B 25 -18.102 -6.599 4.087 1.00 0.00 H new ATOM 0 HA ASN B 25 -17.303 -9.134 4.997 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -19.312 -8.556 3.588 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -18.240 -8.306 2.224 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -19.881 -10.141 1.546 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -19.284 -11.782 1.814 1.00 0.00 H new ATOM 1176 N VAL B 26 -15.447 -7.815 2.609 1.00 0.00 N ATOM 1177 CA VAL B 26 -14.169 -7.935 1.916 1.00 0.00 C ATOM 1178 C VAL B 26 -13.023 -8.078 2.911 1.00 0.00 C ATOM 1179 O VAL B 26 -12.197 -8.982 2.787 1.00 0.00 O ATOM 1180 CB VAL B 26 -13.899 -6.720 1.006 1.00 0.00 C ATOM 1181 CG1 VAL B 26 -12.536 -6.838 0.338 1.00 0.00 C ATOM 1182 CG2 VAL B 26 -14.997 -6.586 -0.039 1.00 0.00 C ATOM 0 H VAL B 26 -15.965 -6.963 2.394 1.00 0.00 H new ATOM 0 HA VAL B 26 -14.228 -8.830 1.296 1.00 0.00 H new ATOM 0 HB VAL B 26 -13.897 -5.822 1.624 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -12.367 -5.970 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -11.759 -6.885 1.101 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -12.505 -7.744 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -14.792 -5.724 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -15.029 -7.487 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -15.958 -6.451 0.458 1.00 0.00 H new ATOM 1192 N LYS B 27 -12.982 -7.190 3.901 1.00 0.00 N ATOM 1193 CA LYS B 27 -11.937 -7.234 4.916 1.00 0.00 C ATOM 1194 C LYS B 27 -11.960 -8.568 5.650 1.00 0.00 C ATOM 1195 O LYS B 27 -10.911 -9.137 5.949 1.00 0.00 O ATOM 1196 CB LYS B 27 -12.090 -6.080 5.909 1.00 0.00 C ATOM 1197 CG LYS B 27 -11.736 -4.722 5.324 1.00 0.00 C ATOM 1198 CD LYS B 27 -11.792 -3.629 6.379 1.00 0.00 C ATOM 1199 CE LYS B 27 -11.263 -2.308 5.845 1.00 0.00 C ATOM 1200 NZ LYS B 27 -12.052 -1.822 4.682 1.00 0.00 N ATOM 0 H LYS B 27 -13.658 -6.435 4.021 1.00 0.00 H new ATOM 0 HA LYS B 27 -10.975 -7.128 4.414 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.119 -6.055 6.268 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.455 -6.270 6.774 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -10.736 -4.761 4.891 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.425 -4.483 4.514 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -12.821 -3.500 6.716 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.207 -3.931 7.248 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -11.288 -1.560 6.638 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -10.220 -2.427 5.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -11.599 -0.974 4.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -12.093 -2.565 3.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -13.017 -1.587 4.991 1.00 0.00 H new ATOM 1214 N SER B 28 -13.160 -9.066 5.928 1.00 0.00 N ATOM 1215 CA SER B 28 -13.313 -10.342 6.616 1.00 0.00 C ATOM 1216 C SER B 28 -12.656 -11.460 5.813 1.00 0.00 C ATOM 1217 O SER B 28 -11.933 -12.293 6.362 1.00 0.00 O ATOM 1218 CB SER B 28 -14.793 -10.653 6.837 1.00 0.00 C ATOM 1219 OG SER B 28 -14.962 -11.891 7.505 1.00 0.00 O ATOM 0 H SER B 28 -14.039 -8.607 5.688 1.00 0.00 H new ATOM 0 HA SER B 28 -12.821 -10.273 7.586 1.00 0.00 H new ATOM 0 HB2 SER B 28 -15.252 -9.856 7.422 1.00 0.00 H new ATOM 0 HB3 SER B 28 -15.309 -10.681 5.877 1.00 0.00 H new ATOM 0 HG SER B 28 -15.918 -12.065 7.635 1.00 0.00 H new ATOM 1225 N LYS B 29 -12.902 -11.459 4.505 1.00 0.00 N ATOM 1226 CA LYS B 29 -12.326 -12.460 3.616 1.00 0.00 C ATOM 1227 C LYS B 29 -10.809 -12.330 3.581 1.00 0.00 C ATOM 1228 O LYS B 29 -10.088 -13.326 3.592 1.00 0.00 O ATOM 1229 CB LYS B 29 -12.903 -12.317 2.206 1.00 0.00 C ATOM 1230 CG LYS B 29 -14.404 -12.551 2.141 1.00 0.00 C ATOM 1231 CD LYS B 29 -14.928 -12.424 0.720 1.00 0.00 C ATOM 1232 CE LYS B 29 -16.430 -12.649 0.662 1.00 0.00 C ATOM 1233 NZ LYS B 29 -16.809 -14.001 1.160 1.00 0.00 N ATOM 0 H LYS B 29 -13.497 -10.775 4.039 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.582 -13.448 3.998 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.682 -11.318 1.831 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.404 -13.024 1.544 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.635 -13.544 2.528 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.913 -11.832 2.783 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.691 -11.434 0.330 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.425 -13.148 0.079 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -16.934 -11.888 1.258 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.775 -12.530 -0.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.502 -14.428 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.963 -14.603 1.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.228 -13.917 2.108 1.00 0.00 H new ATOM 1247 N ILE B 30 -10.333 -11.089 3.550 1.00 0.00 N ATOM 1248 CA ILE B 30 -8.902 -10.815 3.529 1.00 0.00 C ATOM 1249 C ILE B 30 -8.235 -11.336 4.800 1.00 0.00 C ATOM 1250 O ILE B 30 -7.125 -11.866 4.760 1.00 0.00 O ATOM 1251 CB ILE B 30 -8.626 -9.301 3.391 1.00 0.00 C ATOM 1252 CG1 ILE B 30 -9.214 -8.771 2.078 1.00 0.00 C ATOM 1253 CG2 ILE B 30 -7.130 -9.023 3.463 1.00 0.00 C ATOM 1254 CD1 ILE B 30 -9.139 -7.263 1.937 1.00 0.00 C ATOM 0 H ILE B 30 -10.921 -10.255 3.539 1.00 0.00 H new ATOM 0 HA ILE B 30 -8.483 -11.330 2.664 1.00 0.00 H new ATOM 0 HB ILE B 30 -9.109 -8.782 4.219 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -8.686 -9.231 1.243 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -10.256 -9.082 2.006 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -6.954 -7.952 3.364 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -6.742 -9.368 4.421 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -6.623 -9.550 2.655 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -9.574 -6.965 0.983 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -9.692 -6.794 2.751 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -8.097 -6.945 1.975 1.00 0.00 H new ATOM 1266 N GLN B 31 -8.926 -11.178 5.925 1.00 0.00 N ATOM 1267 CA GLN B 31 -8.414 -11.626 7.216 1.00 0.00 C ATOM 1268 C GLN B 31 -8.282 -13.144 7.269 1.00 0.00 C ATOM 1269 O GLN B 31 -7.270 -13.672 7.726 1.00 0.00 O ATOM 1270 CB GLN B 31 -9.335 -11.148 8.342 1.00 0.00 C ATOM 1271 CG GLN B 31 -8.939 -11.671 9.715 1.00 0.00 C ATOM 1272 CD GLN B 31 -9.854 -11.184 10.828 1.00 0.00 C ATOM 1273 OE1 GLN B 31 -10.866 -10.395 10.475 1.00 0.00 O flip ATOM 1274 NE2 GLN B 31 -9.653 -11.517 11.995 1.00 0.00 N flip ATOM 0 H GLN B 31 -9.847 -10.741 5.968 1.00 0.00 H new ATOM 0 HA GLN B 31 -7.422 -11.195 7.347 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -9.334 -10.058 8.363 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -10.356 -11.462 8.123 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -8.947 -12.761 9.698 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -7.916 -11.363 9.933 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -8.866 -12.124 12.224 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -10.274 -11.187 12.734 1.00 0.00 H new ATOM 1283 N ASP B 32 -9.317 -13.842 6.817 1.00 0.00 N ATOM 1284 CA ASP B 32 -9.321 -15.302 6.832 1.00 0.00 C ATOM 1285 C ASP B 32 -8.301 -15.884 5.854 1.00 0.00 C ATOM 1286 O ASP B 32 -7.564 -16.811 6.190 1.00 0.00 O ATOM 1287 CB ASP B 32 -10.718 -15.824 6.497 1.00 0.00 C ATOM 1288 CG ASP B 32 -10.785 -17.338 6.487 1.00 0.00 C ATOM 1289 OD1 ASP B 32 -10.505 -17.953 7.537 1.00 0.00 O ATOM 1290 OD2 ASP B 32 -11.116 -17.910 5.427 1.00 0.00 O ATOM 0 H ASP B 32 -10.165 -13.422 6.435 1.00 0.00 H new ATOM 0 HA ASP B 32 -9.040 -15.622 7.835 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -11.431 -15.437 7.225 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -11.020 -15.444 5.521 1.00 0.00 H new ATOM 1295 N LYS B 33 -8.277 -15.347 4.639 1.00 0.00 N ATOM 1296 CA LYS B 33 -7.363 -15.823 3.603 1.00 0.00 C ATOM 1297 C LYS B 33 -5.905 -15.509 3.933 1.00 0.00 C ATOM 1298 O LYS B 33 -5.083 -16.415 4.073 1.00 0.00 O ATOM 1299 CB LYS B 33 -7.738 -15.197 2.258 1.00 0.00 C ATOM 1300 CG LYS B 33 -6.778 -15.537 1.130 1.00 0.00 C ATOM 1301 CD LYS B 33 -7.225 -14.910 -0.181 1.00 0.00 C ATOM 1302 CE LYS B 33 -6.215 -15.151 -1.290 1.00 0.00 C ATOM 1303 NZ LYS B 33 -5.976 -16.602 -1.523 1.00 0.00 N ATOM 0 H LYS B 33 -8.881 -14.580 4.345 1.00 0.00 H new ATOM 0 HA LYS B 33 -7.460 -16.907 3.550 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.739 -15.527 1.981 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -7.780 -14.114 2.372 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -5.778 -15.185 1.382 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -6.716 -16.619 1.016 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.191 -15.323 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -7.366 -13.838 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -6.572 -14.690 -2.211 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -5.273 -14.665 -1.034 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -5.417 -16.727 -2.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -5.457 -17.002 -0.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -6.888 -17.092 -1.625 1.00 0.00 H new ATOM 1317 N GLU B 34 -5.588 -14.224 4.039 1.00 0.00 N ATOM 1318 CA GLU B 34 -4.225 -13.791 4.333 1.00 0.00 C ATOM 1319 C GLU B 34 -3.814 -14.144 5.758 1.00 0.00 C ATOM 1320 O GLU B 34 -2.664 -14.503 6.008 1.00 0.00 O ATOM 1321 CB GLU B 34 -4.089 -12.285 4.107 1.00 0.00 C ATOM 1322 CG GLU B 34 -4.368 -11.864 2.675 1.00 0.00 C ATOM 1323 CD GLU B 34 -3.464 -12.563 1.678 1.00 0.00 C ATOM 1324 OE1 GLU B 34 -2.230 -12.397 1.777 1.00 0.00 O ATOM 1325 OE2 GLU B 34 -3.989 -13.278 0.799 1.00 0.00 O ATOM 0 H GLU B 34 -6.256 -13.462 3.926 1.00 0.00 H new ATOM 0 HA GLU B 34 -3.558 -14.321 3.653 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -4.776 -11.762 4.772 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -3.081 -11.973 4.380 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -5.408 -12.081 2.432 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -4.238 -10.786 2.585 1.00 0.00 H new ATOM 1332 N GLY B 35 -4.753 -14.031 6.690 1.00 0.00 N ATOM 1333 CA GLY B 35 -4.456 -14.332 8.077 1.00 0.00 C ATOM 1334 C GLY B 35 -3.851 -13.146 8.802 1.00 0.00 C ATOM 1335 O GLY B 35 -2.835 -13.277 9.487 1.00 0.00 O ATOM 0 H GLY B 35 -5.713 -13.737 6.510 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -5.371 -14.638 8.585 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -3.767 -15.175 8.125 1.00 0.00 H new ATOM 1339 N ILE B 36 -4.475 -11.983 8.642 1.00 0.00 N ATOM 1340 CA ILE B 36 -4.000 -10.759 9.277 1.00 0.00 C ATOM 1341 C ILE B 36 -5.163 -9.977 9.891 1.00 0.00 C ATOM 1342 O ILE B 36 -6.200 -9.796 9.253 1.00 0.00 O ATOM 1343 CB ILE B 36 -3.262 -9.856 8.266 1.00 0.00 C ATOM 1344 CG1 ILE B 36 -2.046 -10.589 7.690 1.00 0.00 C ATOM 1345 CG2 ILE B 36 -2.839 -8.549 8.923 1.00 0.00 C ATOM 1346 CD1 ILE B 36 -1.299 -9.798 6.638 1.00 0.00 C ATOM 0 H ILE B 36 -5.315 -11.863 8.075 1.00 0.00 H new ATOM 0 HA ILE B 36 -3.306 -11.053 10.064 1.00 0.00 H new ATOM 0 HB ILE B 36 -3.944 -9.620 7.449 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -1.361 -10.832 8.503 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -2.374 -11.533 7.256 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.320 -7.926 8.194 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -3.721 -8.023 9.287 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -2.172 -8.761 9.759 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -0.452 -10.381 6.278 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -1.968 -9.577 5.806 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -0.939 -8.865 7.072 1.00 0.00 H new ATOM 1358 N PRO B 37 -5.007 -9.503 11.143 1.00 0.00 N ATOM 1359 CA PRO B 37 -6.052 -8.741 11.834 1.00 0.00 C ATOM 1360 C PRO B 37 -6.494 -7.514 11.040 1.00 0.00 C ATOM 1361 O PRO B 37 -5.664 -6.797 10.480 1.00 0.00 O ATOM 1362 CB PRO B 37 -5.392 -8.317 13.155 1.00 0.00 C ATOM 1363 CG PRO B 37 -3.930 -8.535 12.956 1.00 0.00 C ATOM 1364 CD PRO B 37 -3.811 -9.670 11.983 1.00 0.00 C ATOM 0 HA PRO B 37 -6.956 -9.334 11.973 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -5.606 -7.273 13.383 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -5.767 -8.909 13.989 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -3.451 -7.636 12.568 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -3.439 -8.776 13.899 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -2.893 -9.607 11.398 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -3.802 -10.636 12.487 1.00 0.00 H new ATOM 1372 N PRO B 38 -7.813 -7.256 10.980 1.00 0.00 N ATOM 1373 CA PRO B 38 -8.365 -6.110 10.248 1.00 0.00 C ATOM 1374 C PRO B 38 -7.840 -4.779 10.772 1.00 0.00 C ATOM 1375 O PRO B 38 -7.672 -3.826 10.013 1.00 0.00 O ATOM 1376 CB PRO B 38 -9.878 -6.219 10.479 1.00 0.00 C ATOM 1377 CG PRO B 38 -10.030 -7.106 11.667 1.00 0.00 C ATOM 1378 CD PRO B 38 -8.870 -8.057 11.619 1.00 0.00 C ATOM 0 HA PRO B 38 -8.084 -6.133 9.195 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.320 -5.239 10.660 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.380 -6.639 9.607 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -10.023 -6.527 12.591 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.978 -7.643 11.635 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -8.578 -8.389 12.615 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -9.104 -8.951 11.041 1.00 0.00 H new ATOM 1386 N ASP B 39 -7.589 -4.718 12.076 1.00 0.00 N ATOM 1387 CA ASP B 39 -7.087 -3.500 12.702 1.00 0.00 C ATOM 1388 C ASP B 39 -5.781 -3.043 12.058 1.00 0.00 C ATOM 1389 O ASP B 39 -5.608 -1.863 11.756 1.00 0.00 O ATOM 1390 CB ASP B 39 -6.879 -3.722 14.201 1.00 0.00 C ATOM 1391 CG ASP B 39 -8.155 -4.132 14.908 1.00 0.00 C ATOM 1392 OD1 ASP B 39 -9.131 -3.353 14.873 1.00 0.00 O ATOM 1393 OD2 ASP B 39 -8.180 -5.235 15.498 1.00 0.00 O ATOM 0 H ASP B 39 -7.725 -5.498 12.719 1.00 0.00 H new ATOM 0 HA ASP B 39 -7.831 -2.718 12.554 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -6.121 -4.491 14.350 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -6.496 -2.806 14.651 1.00 0.00 H new ATOM 1398 N GLN B 40 -4.862 -3.983 11.857 1.00 0.00 N ATOM 1399 CA GLN B 40 -3.568 -3.672 11.256 1.00 0.00 C ATOM 1400 C GLN B 40 -3.708 -3.337 9.773 1.00 0.00 C ATOM 1401 O GLN B 40 -3.300 -2.263 9.330 1.00 0.00 O ATOM 1402 CB GLN B 40 -2.608 -4.850 11.431 1.00 0.00 C ATOM 1403 CG GLN B 40 -2.306 -5.178 12.885 1.00 0.00 C ATOM 1404 CD GLN B 40 -1.380 -6.371 13.047 1.00 0.00 C ATOM 1405 OE1 GLN B 40 -1.003 -6.998 11.937 1.00 0.00 O flip ATOM 1406 NE2 GLN B 40 -1.010 -6.730 14.165 1.00 0.00 N flip ATOM 0 H GLN B 40 -4.989 -4.965 12.101 1.00 0.00 H new ATOM 0 HA GLN B 40 -3.167 -2.797 11.766 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -3.034 -5.730 10.950 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -1.674 -4.626 10.916 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -1.854 -4.308 13.361 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -3.241 -5.378 13.408 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -1.322 -6.222 14.993 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -0.392 -7.535 14.263 1.00 0.00 H new ATOM 1415 N GLN B 41 -4.280 -4.264 9.011 1.00 0.00 N ATOM 1416 CA GLN B 41 -4.466 -4.068 7.576 1.00 0.00 C ATOM 1417 C GLN B 41 -5.473 -2.958 7.296 1.00 0.00 C ATOM 1418 O GLN B 41 -6.476 -2.824 7.996 1.00 0.00 O ATOM 1419 CB GLN B 41 -4.925 -5.372 6.918 1.00 0.00 C ATOM 1420 CG GLN B 41 -6.237 -5.904 7.469 1.00 0.00 C ATOM 1421 CD GLN B 41 -6.648 -7.217 6.832 1.00 0.00 C ATOM 1422 OE1 GLN B 41 -5.924 -8.210 6.905 1.00 0.00 O ATOM 1423 NE2 GLN B 41 -7.817 -7.230 6.203 1.00 0.00 N ATOM 0 H GLN B 41 -4.623 -5.158 9.362 1.00 0.00 H new ATOM 0 HA GLN B 41 -3.507 -3.771 7.151 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -5.030 -5.210 5.845 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -4.151 -6.128 7.052 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -6.145 -6.040 8.547 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -7.021 -5.165 7.307 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -8.386 -6.384 6.166 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -8.146 -8.086 5.756 1.00 0.00 H new ATOM 1432 N ARG B 42 -5.201 -2.162 6.267 1.00 0.00 N ATOM 1433 CA ARG B 42 -6.085 -1.066 5.897 1.00 0.00 C ATOM 1434 C ARG B 42 -6.234 -0.973 4.383 1.00 0.00 C ATOM 1435 O ARG B 42 -5.254 -0.787 3.663 1.00 0.00 O ATOM 1436 CB ARG B 42 -5.540 0.255 6.440 1.00 0.00 C ATOM 1437 CG ARG B 42 -5.381 0.281 7.952 1.00 0.00 C ATOM 1438 CD ARG B 42 -4.811 1.609 8.424 1.00 0.00 C ATOM 1439 NE ARG B 42 -4.631 1.648 9.874 1.00 0.00 N ATOM 1440 CZ ARG B 42 -5.630 1.569 10.749 1.00 0.00 C ATOM 1441 NH1 ARG B 42 -6.883 1.458 10.327 1.00 0.00 N ATOM 1442 NH2 ARG B 42 -5.375 1.607 12.050 1.00 0.00 N ATOM 0 H ARG B 42 -4.375 -2.257 5.676 1.00 0.00 H new ATOM 0 HA ARG B 42 -7.065 -1.261 6.332 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -4.572 0.454 5.979 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -6.208 1.063 6.141 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -6.348 0.109 8.425 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.725 -0.531 8.265 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -3.853 1.785 7.936 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -5.477 2.417 8.120 1.00 0.00 H new ATOM 0 HE ARG B 42 -3.682 1.741 10.237 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -7.084 1.433 9.327 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -7.645 1.398 11.002 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -4.414 1.697 12.379 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -6.140 1.547 12.722 1.00 0.00 H new ATOM 1456 N LEU B 43 -7.469 -1.094 3.907 1.00 0.00 N ATOM 1457 CA LEU B 43 -7.749 -1.013 2.479 1.00 0.00 C ATOM 1458 C LEU B 43 -7.847 0.442 2.032 1.00 0.00 C ATOM 1459 O LEU B 43 -8.442 1.270 2.719 1.00 0.00 O ATOM 1460 CB LEU B 43 -9.039 -1.762 2.134 1.00 0.00 C ATOM 1461 CG LEU B 43 -8.935 -3.292 2.139 1.00 0.00 C ATOM 1462 CD1 LEU B 43 -8.600 -3.815 3.529 1.00 0.00 C ATOM 1463 CD2 LEU B 43 -10.228 -3.912 1.634 1.00 0.00 C ATOM 0 H LEU B 43 -8.292 -1.249 4.490 1.00 0.00 H new ATOM 0 HA LEU B 43 -6.924 -1.485 1.946 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.812 -1.465 2.843 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.372 -1.441 1.147 1.00 0.00 H new ATOM 0 HG LEU B 43 -8.125 -3.578 1.469 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -8.533 -4.903 3.502 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -7.646 -3.400 3.854 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -9.382 -3.517 4.228 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -10.139 -4.998 1.643 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -11.053 -3.610 2.280 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -10.421 -3.573 0.616 1.00 0.00 H new ATOM 1475 N ILE B 44 -7.256 0.745 0.881 1.00 0.00 N ATOM 1476 CA ILE B 44 -7.269 2.099 0.339 1.00 0.00 C ATOM 1477 C ILE B 44 -7.706 2.107 -1.120 1.00 0.00 C ATOM 1478 O ILE B 44 -7.362 1.210 -1.894 1.00 0.00 O ATOM 1479 CB ILE B 44 -5.882 2.772 0.462 1.00 0.00 C ATOM 1480 CG1 ILE B 44 -5.572 3.084 1.924 1.00 0.00 C ATOM 1481 CG2 ILE B 44 -5.819 4.047 -0.374 1.00 0.00 C ATOM 1482 CD1 ILE B 44 -4.126 3.444 2.167 1.00 0.00 C ATOM 0 H ILE B 44 -6.759 0.067 0.303 1.00 0.00 H new ATOM 0 HA ILE B 44 -7.989 2.667 0.929 1.00 0.00 H new ATOM 0 HB ILE B 44 -5.133 2.077 0.083 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -6.204 3.908 2.254 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -5.831 2.219 2.535 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.834 4.502 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -5.999 3.805 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -6.580 4.747 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -3.976 3.654 3.226 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.489 2.612 1.868 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -3.868 4.327 1.582 1.00 0.00 H new ATOM 1494 N PHE B 45 -8.464 3.133 -1.479 1.00 0.00 N ATOM 1495 CA PHE B 45 -8.964 3.295 -2.835 1.00 0.00 C ATOM 1496 C PHE B 45 -9.391 4.741 -3.052 1.00 0.00 C ATOM 1497 O PHE B 45 -9.959 5.368 -2.155 1.00 0.00 O ATOM 1498 CB PHE B 45 -10.142 2.352 -3.083 1.00 0.00 C ATOM 1499 CG PHE B 45 -10.568 2.281 -4.523 1.00 0.00 C ATOM 1500 CD1 PHE B 45 -9.644 2.013 -5.521 1.00 0.00 C ATOM 1501 CD2 PHE B 45 -11.891 2.481 -4.878 1.00 0.00 C ATOM 1502 CE1 PHE B 45 -10.033 1.945 -6.845 1.00 0.00 C ATOM 1503 CE2 PHE B 45 -12.286 2.414 -6.200 1.00 0.00 C ATOM 1504 CZ PHE B 45 -11.356 2.146 -7.184 1.00 0.00 C ATOM 0 H PHE B 45 -8.749 3.875 -0.839 1.00 0.00 H new ATOM 0 HA PHE B 45 -8.170 3.047 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -9.873 1.352 -2.743 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -10.989 2.677 -2.479 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -8.608 1.855 -5.261 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -12.623 2.692 -4.112 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -9.303 1.735 -7.613 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -13.322 2.571 -6.463 1.00 0.00 H new ATOM 0 HZ PHE B 45 -11.663 2.094 -8.218 1.00 0.00 H new ATOM 1514 N ALA B 46 -9.095 5.275 -4.230 1.00 0.00 N ATOM 1515 CA ALA B 46 -9.433 6.657 -4.546 1.00 0.00 C ATOM 1516 C ALA B 46 -8.789 7.605 -3.540 1.00 0.00 C ATOM 1517 O ALA B 46 -9.339 8.658 -3.215 1.00 0.00 O ATOM 1518 CB ALA B 46 -10.944 6.844 -4.572 1.00 0.00 C ATOM 0 H ALA B 46 -8.622 4.773 -4.982 1.00 0.00 H new ATOM 0 HA ALA B 46 -9.043 6.892 -5.537 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -11.178 7.882 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -11.378 6.191 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -11.359 6.593 -3.596 1.00 0.00 H new ATOM 1524 N GLY B 47 -7.610 7.218 -3.060 1.00 0.00 N ATOM 1525 CA GLY B 47 -6.881 8.027 -2.100 1.00 0.00 C ATOM 1526 C GLY B 47 -7.540 8.092 -0.732 1.00 0.00 C ATOM 1527 O GLY B 47 -7.338 9.057 0.004 1.00 0.00 O ATOM 0 H GLY B 47 -7.143 6.350 -3.323 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -5.874 7.625 -1.990 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -6.779 9.039 -2.493 1.00 0.00 H new ATOM 1531 N LYS B 48 -8.312 7.060 -0.381 1.00 0.00 N ATOM 1532 CA LYS B 48 -8.983 7.010 0.921 1.00 0.00 C ATOM 1533 C LYS B 48 -9.324 5.580 1.321 1.00 0.00 C ATOM 1534 O LYS B 48 -9.730 4.771 0.487 1.00 0.00 O ATOM 1535 CB LYS B 48 -10.268 7.841 0.923 1.00 0.00 C ATOM 1536 CG LYS B 48 -10.042 9.339 0.836 1.00 0.00 C ATOM 1537 CD LYS B 48 -11.220 10.108 1.410 1.00 0.00 C ATOM 1538 CE LYS B 48 -12.508 9.809 0.659 1.00 0.00 C ATOM 1539 NZ LYS B 48 -12.428 10.230 -0.766 1.00 0.00 N ATOM 0 H LYS B 48 -8.487 6.251 -0.977 1.00 0.00 H new ATOM 0 HA LYS B 48 -8.282 7.428 1.644 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -10.890 7.530 0.084 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -10.827 7.622 1.832 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.133 9.604 1.377 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.889 9.626 -0.204 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -11.344 9.851 2.462 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -11.013 11.177 1.365 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -12.719 8.741 0.711 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -13.339 10.322 1.143 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -13.374 10.184 -1.195 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -12.070 11.205 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -11.784 9.595 -1.280 1.00 0.00 H new ATOM 1553 N GLN B 49 -9.167 5.280 2.608 1.00 0.00 N ATOM 1554 CA GLN B 49 -9.467 3.951 3.125 1.00 0.00 C ATOM 1555 C GLN B 49 -10.939 3.609 2.911 1.00 0.00 C ATOM 1556 O GLN B 49 -11.818 4.440 3.141 1.00 0.00 O ATOM 1557 CB GLN B 49 -9.121 3.853 4.616 1.00 0.00 C ATOM 1558 CG GLN B 49 -9.990 4.723 5.514 1.00 0.00 C ATOM 1559 CD GLN B 49 -9.761 6.206 5.306 1.00 0.00 C ATOM 1560 OE1 GLN B 49 -8.665 6.714 5.539 1.00 0.00 O ATOM 1561 NE2 GLN B 49 -10.796 6.911 4.865 1.00 0.00 N ATOM 0 H GLN B 49 -8.834 5.940 3.310 1.00 0.00 H new ATOM 0 HA GLN B 49 -8.855 3.234 2.577 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -9.216 2.814 4.933 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -8.077 4.135 4.755 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -11.039 4.494 5.327 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -9.790 4.473 6.556 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -11.688 6.450 4.684 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -10.700 7.914 4.707 1.00 0.00 H new ATOM 1570 N LEU B 50 -11.202 2.383 2.468 1.00 0.00 N ATOM 1571 CA LEU B 50 -12.572 1.943 2.228 1.00 0.00 C ATOM 1572 C LEU B 50 -13.366 1.914 3.528 1.00 0.00 C ATOM 1573 O LEU B 50 -12.920 1.348 4.527 1.00 0.00 O ATOM 1574 CB LEU B 50 -12.582 0.561 1.571 1.00 0.00 C ATOM 1575 CG LEU B 50 -11.911 0.488 0.196 1.00 0.00 C ATOM 1576 CD1 LEU B 50 -11.986 -0.926 -0.363 1.00 0.00 C ATOM 1577 CD2 LEU B 50 -12.558 1.478 -0.763 1.00 0.00 C ATOM 0 H LEU B 50 -10.489 1.681 2.269 1.00 0.00 H new ATOM 0 HA LEU B 50 -13.045 2.656 1.552 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -12.086 -0.144 2.238 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -13.616 0.231 1.471 1.00 0.00 H new ATOM 0 HG LEU B 50 -10.860 0.754 0.310 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -11.504 -0.957 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -11.478 -1.612 0.314 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -13.030 -1.222 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -12.070 1.414 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -13.616 1.241 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -12.451 2.489 -0.369 1.00 0.00 H new ATOM 1589 N GLU B 51 -14.542 2.532 3.510 1.00 0.00 N ATOM 1590 CA GLU B 51 -15.399 2.583 4.687 1.00 0.00 C ATOM 1591 C GLU B 51 -16.067 1.236 4.939 1.00 0.00 C ATOM 1592 O GLU B 51 -16.622 0.627 4.024 1.00 0.00 O ATOM 1593 CB GLU B 51 -16.463 3.668 4.523 1.00 0.00 C ATOM 1594 CG GLU B 51 -15.888 5.062 4.340 1.00 0.00 C ATOM 1595 CD GLU B 51 -16.962 6.115 4.153 1.00 0.00 C ATOM 1596 OE1 GLU B 51 -17.794 6.282 5.071 1.00 0.00 O ATOM 1597 OE2 GLU B 51 -16.973 6.771 3.091 1.00 0.00 O ATOM 0 H GLU B 51 -14.923 3.005 2.691 1.00 0.00 H new ATOM 0 HA GLU B 51 -14.773 2.822 5.547 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -17.087 3.426 3.663 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -17.112 3.664 5.399 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -15.281 5.318 5.208 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -15.225 5.067 3.475 1.00 0.00 H new ATOM 1604 N ASP B 52 -16.014 0.780 6.185 1.00 0.00 N ATOM 1605 CA ASP B 52 -16.619 -0.491 6.562 1.00 0.00 C ATOM 1606 C ASP B 52 -18.137 -0.427 6.422 1.00 0.00 C ATOM 1607 O ASP B 52 -18.761 0.565 6.794 1.00 0.00 O ATOM 1608 CB ASP B 52 -16.241 -0.858 7.999 1.00 0.00 C ATOM 1609 CG ASP B 52 -16.714 0.176 9.003 1.00 0.00 C ATOM 1610 OD1 ASP B 52 -16.296 1.347 8.892 1.00 0.00 O ATOM 1611 OD2 ASP B 52 -17.503 -0.187 9.901 1.00 0.00 O ATOM 0 H ASP B 52 -15.557 1.273 6.952 1.00 0.00 H new ATOM 0 HA ASP B 52 -16.239 -1.261 5.890 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -16.672 -1.827 8.249 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -15.158 -0.963 8.072 1.00 0.00 H new ATOM 1616 N GLY B 53 -18.723 -1.491 5.883 1.00 0.00 N ATOM 1617 CA GLY B 53 -20.161 -1.535 5.702 1.00 0.00 C ATOM 1618 C GLY B 53 -20.635 -0.626 4.584 1.00 0.00 C ATOM 1619 O GLY B 53 -21.599 0.123 4.749 1.00 0.00 O ATOM 0 H GLY B 53 -18.226 -2.324 5.568 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -20.465 -2.559 5.487 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -20.650 -1.246 6.632 1.00 0.00 H new ATOM 1623 N ARG B 54 -19.958 -0.695 3.440 1.00 0.00 N ATOM 1624 CA ARG B 54 -20.312 0.126 2.286 1.00 0.00 C ATOM 1625 C ARG B 54 -20.227 -0.686 0.995 1.00 0.00 C ATOM 1626 O ARG B 54 -19.255 -1.403 0.763 1.00 0.00 O ATOM 1627 CB ARG B 54 -19.389 1.346 2.195 1.00 0.00 C ATOM 1628 CG ARG B 54 -19.527 2.316 3.359 1.00 0.00 C ATOM 1629 CD ARG B 54 -20.921 2.924 3.423 1.00 0.00 C ATOM 1630 NE ARG B 54 -21.043 3.921 4.486 1.00 0.00 N ATOM 1631 CZ ARG B 54 -20.916 3.647 5.783 1.00 0.00 C ATOM 1632 NH1 ARG B 54 -20.682 2.406 6.185 1.00 0.00 N ATOM 1633 NH2 ARG B 54 -21.031 4.617 6.680 1.00 0.00 N ATOM 0 H ARG B 54 -19.160 -1.312 3.288 1.00 0.00 H new ATOM 0 HA ARG B 54 -21.339 0.466 2.416 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -18.356 1.003 2.142 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -19.597 1.877 1.266 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -19.313 1.796 4.293 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -18.788 3.111 3.260 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -21.158 3.387 2.465 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -21.653 2.133 3.584 1.00 0.00 H new ATOM 0 HE ARG B 54 -21.237 4.886 4.217 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -20.598 1.655 5.500 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -20.586 2.202 7.180 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -21.217 5.573 6.376 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -20.934 4.407 7.673 1.00 0.00 H new ATOM 1647 N THR B 55 -21.254 -0.566 0.161 1.00 0.00 N ATOM 1648 CA THR B 55 -21.303 -1.287 -1.107 1.00 0.00 C ATOM 1649 C THR B 55 -20.174 -0.853 -2.037 1.00 0.00 C ATOM 1650 O THR B 55 -19.737 0.296 -2.001 1.00 0.00 O ATOM 1651 CB THR B 55 -22.651 -1.073 -1.821 1.00 0.00 C ATOM 1652 OG1 THR B 55 -22.848 0.319 -2.090 1.00 0.00 O ATOM 1653 CG2 THR B 55 -23.800 -1.598 -0.973 1.00 0.00 C ATOM 0 H THR B 55 -22.066 0.025 0.340 1.00 0.00 H new ATOM 0 HA THR B 55 -21.186 -2.345 -0.871 1.00 0.00 H new ATOM 0 HB THR B 55 -22.631 -1.624 -2.761 1.00 0.00 H new ATOM 0 HG1 THR B 55 -23.706 0.446 -2.546 1.00 0.00 H new ATOM 0 HG21 THR B 55 -24.742 -1.436 -1.497 1.00 0.00 H new ATOM 0 HG22 THR B 55 -23.663 -2.664 -0.794 1.00 0.00 H new ATOM 0 HG23 THR B 55 -23.820 -1.070 -0.020 1.00 0.00 H new ATOM 1661 N LEU B 56 -19.706 -1.782 -2.867 1.00 0.00 N ATOM 1662 CA LEU B 56 -18.628 -1.501 -3.812 1.00 0.00 C ATOM 1663 C LEU B 56 -18.969 -0.297 -4.689 1.00 0.00 C ATOM 1664 O LEU B 56 -18.097 0.503 -5.028 1.00 0.00 O ATOM 1665 CB LEU B 56 -18.361 -2.725 -4.693 1.00 0.00 C ATOM 1666 CG LEU B 56 -17.804 -3.950 -3.961 1.00 0.00 C ATOM 1667 CD1 LEU B 56 -17.737 -5.146 -4.898 1.00 0.00 C ATOM 1668 CD2 LEU B 56 -16.426 -3.648 -3.391 1.00 0.00 C ATOM 0 H LEU B 56 -20.058 -2.739 -2.904 1.00 0.00 H new ATOM 0 HA LEU B 56 -17.730 -1.269 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -19.292 -3.008 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -17.660 -2.441 -5.478 1.00 0.00 H new ATOM 0 HG LEU B 56 -18.475 -4.192 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -17.339 -6.007 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -18.737 -5.377 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -17.087 -4.912 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -16.045 -4.529 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -15.748 -3.381 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -16.497 -2.818 -2.688 1.00 0.00 H new ATOM 1680 N SER B 57 -20.241 -0.182 -5.055 1.00 0.00 N ATOM 1681 CA SER B 57 -20.709 0.915 -5.896 1.00 0.00 C ATOM 1682 C SER B 57 -20.344 2.275 -5.301 1.00 0.00 C ATOM 1683 O SER B 57 -20.207 3.258 -6.027 1.00 0.00 O ATOM 1684 CB SER B 57 -22.224 0.824 -6.091 1.00 0.00 C ATOM 1685 OG SER B 57 -22.702 1.892 -6.890 1.00 0.00 O ATOM 0 H SER B 57 -20.971 -0.839 -4.781 1.00 0.00 H new ATOM 0 HA SER B 57 -20.213 0.825 -6.862 1.00 0.00 H new ATOM 0 HB2 SER B 57 -22.477 -0.127 -6.561 1.00 0.00 H new ATOM 0 HB3 SER B 57 -22.720 0.842 -5.121 1.00 0.00 H new ATOM 0 HG SER B 57 -23.672 1.809 -7.000 1.00 0.00 H new ATOM 1691 N ASP B 58 -20.203 2.323 -3.978 1.00 0.00 N ATOM 1692 CA ASP B 58 -19.869 3.567 -3.286 1.00 0.00 C ATOM 1693 C ASP B 58 -18.662 4.252 -3.922 1.00 0.00 C ATOM 1694 O ASP B 58 -18.750 5.405 -4.347 1.00 0.00 O ATOM 1695 CB ASP B 58 -19.591 3.290 -1.806 1.00 0.00 C ATOM 1696 CG ASP B 58 -19.312 4.556 -1.018 1.00 0.00 C ATOM 1697 OD1 ASP B 58 -18.313 5.243 -1.325 1.00 0.00 O ATOM 1698 OD2 ASP B 58 -20.092 4.861 -0.092 1.00 0.00 O ATOM 0 H ASP B 58 -20.315 1.516 -3.364 1.00 0.00 H new ATOM 0 HA ASP B 58 -20.724 4.237 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -20.447 2.776 -1.369 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -18.738 2.617 -1.720 1.00 0.00 H new ATOM 1703 N TYR B 59 -17.537 3.544 -3.992 1.00 0.00 N ATOM 1704 CA TYR B 59 -16.327 4.105 -4.587 1.00 0.00 C ATOM 1705 C TYR B 59 -16.317 3.907 -6.100 1.00 0.00 C ATOM 1706 O TYR B 59 -15.257 3.756 -6.708 1.00 0.00 O ATOM 1707 CB TYR B 59 -15.075 3.475 -3.969 1.00 0.00 C ATOM 1708 CG TYR B 59 -14.896 3.782 -2.496 1.00 0.00 C ATOM 1709 CD1 TYR B 59 -15.772 3.271 -1.544 1.00 0.00 C ATOM 1710 CD2 TYR B 59 -13.844 4.578 -2.058 1.00 0.00 C ATOM 1711 CE1 TYR B 59 -15.605 3.548 -0.200 1.00 0.00 C ATOM 1712 CE2 TYR B 59 -13.669 4.858 -0.715 1.00 0.00 C ATOM 1713 CZ TYR B 59 -14.553 4.341 0.209 1.00 0.00 C ATOM 1714 OH TYR B 59 -14.385 4.618 1.546 1.00 0.00 O ATOM 0 H TYR B 59 -17.438 2.589 -3.647 1.00 0.00 H new ATOM 0 HA TYR B 59 -16.322 5.175 -4.378 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -15.121 2.394 -4.102 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -14.198 3.826 -4.512 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -16.596 2.648 -1.860 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -13.151 4.985 -2.779 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -16.295 3.145 0.527 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -12.845 5.477 -0.392 1.00 0.00 H new ATOM 0 HH TYR B 59 -13.431 4.730 1.740 1.00 0.00 H new ATOM 1724 N ASN B 60 -17.505 3.917 -6.699 1.00 0.00 N ATOM 1725 CA ASN B 60 -17.646 3.746 -8.142 1.00 0.00 C ATOM 1726 C ASN B 60 -16.879 2.522 -8.636 1.00 0.00 C ATOM 1727 O ASN B 60 -16.323 2.527 -9.735 1.00 0.00 O ATOM 1728 CB ASN B 60 -17.157 4.997 -8.876 1.00 0.00 C ATOM 1729 CG ASN B 60 -17.966 6.231 -8.523 1.00 0.00 C ATOM 1730 OD1 ASN B 60 -18.044 6.624 -7.359 1.00 0.00 O ATOM 1731 ND2 ASN B 60 -18.570 6.849 -9.530 1.00 0.00 N ATOM 0 H ASN B 60 -18.388 4.042 -6.204 1.00 0.00 H new ATOM 0 HA ASN B 60 -18.704 3.593 -8.355 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -16.109 5.171 -8.632 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -17.210 4.827 -9.951 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -19.127 7.686 -9.355 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -18.478 6.487 -10.479 1.00 0.00 H new ATOM 1738 N ILE B 61 -16.857 1.471 -7.822 1.00 0.00 N ATOM 1739 CA ILE B 61 -16.163 0.240 -8.183 1.00 0.00 C ATOM 1740 C ILE B 61 -16.924 -0.515 -9.267 1.00 0.00 C ATOM 1741 O ILE B 61 -18.084 -0.883 -9.082 1.00 0.00 O ATOM 1742 CB ILE B 61 -15.977 -0.677 -6.959 1.00 0.00 C ATOM 1743 CG1 ILE B 61 -15.158 0.044 -5.884 1.00 0.00 C ATOM 1744 CG2 ILE B 61 -15.305 -1.983 -7.364 1.00 0.00 C ATOM 1745 CD1 ILE B 61 -14.978 -0.758 -4.614 1.00 0.00 C ATOM 0 H ILE B 61 -17.311 1.447 -6.909 1.00 0.00 H new ATOM 0 HA ILE B 61 -15.181 0.523 -8.563 1.00 0.00 H new ATOM 0 HB ILE B 61 -16.958 -0.916 -6.548 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -14.177 0.288 -6.291 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -15.646 0.988 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -15.183 -2.617 -6.486 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -15.923 -2.498 -8.099 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -14.328 -1.770 -7.797 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -14.388 -0.182 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -15.954 -0.980 -4.182 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -14.462 -1.690 -4.843 1.00 0.00 H new ATOM 1757 N GLN B 62 -16.265 -0.740 -10.399 1.00 0.00 N ATOM 1758 CA GLN B 62 -16.883 -1.447 -11.514 1.00 0.00 C ATOM 1759 C GLN B 62 -16.652 -2.947 -11.411 1.00 0.00 C ATOM 1760 O GLN B 62 -17.591 -3.725 -11.239 1.00 0.00 O ATOM 1761 CB GLN B 62 -16.330 -0.924 -12.841 1.00 0.00 C ATOM 1762 CG GLN B 62 -16.550 0.565 -13.044 1.00 0.00 C ATOM 1763 CD GLN B 62 -15.984 1.063 -14.359 1.00 0.00 C ATOM 1764 OE1 GLN B 62 -14.786 0.947 -14.617 1.00 0.00 O ATOM 1765 NE2 GLN B 62 -16.846 1.625 -15.199 1.00 0.00 N ATOM 0 H GLN B 62 -15.304 -0.443 -10.568 1.00 0.00 H new ATOM 0 HA GLN B 62 -17.957 -1.265 -11.474 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -15.262 -1.135 -12.889 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -16.800 -1.468 -13.661 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -17.618 0.779 -13.008 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -16.087 1.112 -12.223 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -17.831 1.700 -14.944 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -16.523 1.981 -16.099 1.00 0.00 H new ATOM 1774 N LYS B 63 -15.393 -3.330 -11.520 1.00 0.00 N ATOM 1775 CA LYS B 63 -14.993 -4.734 -11.449 1.00 0.00 C ATOM 1776 C LYS B 63 -13.483 -4.877 -11.604 1.00 0.00 C ATOM 1777 O LYS B 63 -12.862 -4.176 -12.404 1.00 0.00 O ATOM 1778 CB LYS B 63 -15.710 -5.550 -12.527 1.00 0.00 C ATOM 1779 CG LYS B 63 -15.467 -5.042 -13.940 1.00 0.00 C ATOM 1780 CD LYS B 63 -16.251 -5.846 -14.963 1.00 0.00 C ATOM 1781 CE LYS B 63 -16.036 -5.312 -16.370 1.00 0.00 C ATOM 1782 NZ LYS B 63 -16.475 -3.894 -16.499 1.00 0.00 N ATOM 0 H LYS B 63 -14.617 -2.683 -11.660 1.00 0.00 H new ATOM 0 HA LYS B 63 -15.278 -5.117 -10.469 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -15.383 -6.588 -12.462 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -16.781 -5.540 -12.326 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -15.753 -3.992 -14.004 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -14.403 -5.098 -14.170 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -15.946 -6.891 -14.918 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -17.313 -5.813 -14.718 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -14.981 -5.390 -16.631 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -16.587 -5.929 -17.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -17.053 -3.786 -17.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -17.038 -3.628 -15.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -15.640 -3.277 -16.565 1.00 0.00 H new ATOM 1796 N GLU B 64 -12.898 -5.789 -10.830 1.00 0.00 N ATOM 1797 CA GLU B 64 -11.459 -6.031 -10.872 1.00 0.00 C ATOM 1798 C GLU B 64 -10.682 -4.775 -10.488 1.00 0.00 C ATOM 1799 O GLU B 64 -9.661 -4.452 -11.098 1.00 0.00 O ATOM 1800 CB GLU B 64 -11.035 -6.507 -12.265 1.00 0.00 C ATOM 1801 CG GLU B 64 -11.681 -7.820 -12.683 1.00 0.00 C ATOM 1802 CD GLU B 64 -11.224 -8.286 -14.051 1.00 0.00 C ATOM 1803 OE1 GLU B 64 -11.436 -7.543 -15.033 1.00 0.00 O ATOM 1804 OE2 GLU B 64 -10.653 -9.393 -14.141 1.00 0.00 O ATOM 0 H GLU B 64 -13.402 -6.374 -10.164 1.00 0.00 H new ATOM 0 HA GLU B 64 -11.229 -6.812 -10.148 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -11.288 -5.738 -12.995 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -9.951 -6.622 -12.286 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -11.446 -8.587 -11.945 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -12.765 -7.702 -12.687 1.00 0.00 H new ATOM 1811 N SER B 65 -11.172 -4.073 -9.471 1.00 0.00 N ATOM 1812 CA SER B 65 -10.526 -2.852 -8.999 1.00 0.00 C ATOM 1813 C SER B 65 -9.253 -3.169 -8.218 1.00 0.00 C ATOM 1814 O SER B 65 -9.215 -4.118 -7.431 1.00 0.00 O ATOM 1815 CB SER B 65 -11.486 -2.045 -8.125 1.00 0.00 C ATOM 1816 OG SER B 65 -12.639 -1.663 -8.854 1.00 0.00 O ATOM 0 H SER B 65 -12.015 -4.329 -8.957 1.00 0.00 H new ATOM 0 HA SER B 65 -10.254 -2.259 -9.872 1.00 0.00 H new ATOM 0 HB2 SER B 65 -11.779 -2.637 -7.258 1.00 0.00 H new ATOM 0 HB3 SER B 65 -10.980 -1.157 -7.747 1.00 0.00 H new ATOM 0 HG SER B 65 -12.797 -0.703 -8.737 1.00 0.00 H new ATOM 1822 N THR B 66 -8.216 -2.367 -8.444 1.00 0.00 N ATOM 1823 CA THR B 66 -6.941 -2.552 -7.763 1.00 0.00 C ATOM 1824 C THR B 66 -6.932 -1.850 -6.408 1.00 0.00 C ATOM 1825 O THR B 66 -6.533 -0.689 -6.301 1.00 0.00 O ATOM 1826 CB THR B 66 -5.768 -2.025 -8.612 1.00 0.00 C ATOM 1827 OG1 THR B 66 -5.759 -2.671 -9.891 1.00 0.00 O ATOM 1828 CG2 THR B 66 -4.439 -2.267 -7.912 1.00 0.00 C ATOM 0 H THR B 66 -8.235 -1.582 -9.095 1.00 0.00 H new ATOM 0 HA THR B 66 -6.817 -3.624 -7.612 1.00 0.00 H new ATOM 0 HB THR B 66 -5.902 -0.952 -8.746 1.00 0.00 H new ATOM 0 HG1 THR B 66 -5.012 -2.329 -10.425 1.00 0.00 H new ATOM 0 HG21 THR B 66 -3.627 -1.886 -8.531 1.00 0.00 H new ATOM 0 HG22 THR B 66 -4.435 -1.752 -6.951 1.00 0.00 H new ATOM 0 HG23 THR B 66 -4.302 -3.336 -7.751 1.00 0.00 H new ATOM 1836 N LEU B 67 -7.369 -2.563 -5.376 1.00 0.00 N ATOM 1837 CA LEU B 67 -7.408 -2.014 -4.025 1.00 0.00 C ATOM 1838 C LEU B 67 -6.061 -2.208 -3.339 1.00 0.00 C ATOM 1839 O LEU B 67 -5.470 -3.282 -3.410 1.00 0.00 O ATOM 1840 CB LEU B 67 -8.514 -2.690 -3.211 1.00 0.00 C ATOM 1841 CG LEU B 67 -9.920 -2.575 -3.804 1.00 0.00 C ATOM 1842 CD1 LEU B 67 -10.907 -3.403 -2.999 1.00 0.00 C ATOM 1843 CD2 LEU B 67 -10.363 -1.122 -3.852 1.00 0.00 C ATOM 0 H LEU B 67 -7.702 -3.524 -5.449 1.00 0.00 H new ATOM 0 HA LEU B 67 -7.620 -0.947 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.268 -3.746 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -8.522 -2.258 -2.210 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.894 -2.961 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -11.901 -3.309 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -10.601 -4.449 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.927 -3.046 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -11.365 -1.061 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -10.371 -0.711 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -9.671 -0.551 -4.471 1.00 0.00 H new ATOM 1855 N HIS B 68 -5.572 -1.162 -2.686 1.00 0.00 N ATOM 1856 CA HIS B 68 -4.285 -1.224 -2.002 1.00 0.00 C ATOM 1857 C HIS B 68 -4.433 -1.570 -0.522 1.00 0.00 C ATOM 1858 O HIS B 68 -5.253 -0.989 0.185 1.00 0.00 O ATOM 1859 CB HIS B 68 -3.549 0.103 -2.156 1.00 0.00 C ATOM 1860 CG HIS B 68 -2.608 0.134 -3.319 1.00 0.00 C ATOM 1861 ND1 HIS B 68 -1.403 -0.536 -3.324 1.00 0.00 N ATOM 1862 CD2 HIS B 68 -2.697 0.753 -4.520 1.00 0.00 C ATOM 1863 CE1 HIS B 68 -0.790 -0.328 -4.475 1.00 0.00 C ATOM 1864 NE2 HIS B 68 -1.554 0.450 -5.217 1.00 0.00 N ATOM 0 H HIS B 68 -6.045 -0.261 -2.615 1.00 0.00 H new ATOM 0 HA HIS B 68 -3.707 -2.023 -2.467 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -4.280 0.903 -2.269 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -2.991 0.308 -1.242 1.00 0.00 H new ATOM 0 HD1 HIS B 68 -1.041 -1.104 -2.558 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -3.514 1.369 -4.865 1.00 0.00 H new ATOM 0 HE1 HIS B 68 0.172 -0.727 -4.760 1.00 0.00 H new ATOM 1873 N LEU B 69 -3.617 -2.515 -0.062 1.00 0.00 N ATOM 1874 CA LEU B 69 -3.635 -2.937 1.333 1.00 0.00 C ATOM 1875 C LEU B 69 -2.383 -2.419 2.042 1.00 0.00 C ATOM 1876 O LEU B 69 -1.279 -2.508 1.505 1.00 0.00 O ATOM 1877 CB LEU B 69 -3.711 -4.469 1.414 1.00 0.00 C ATOM 1878 CG LEU B 69 -4.113 -5.052 2.775 1.00 0.00 C ATOM 1879 CD1 LEU B 69 -4.390 -6.542 2.649 1.00 0.00 C ATOM 1880 CD2 LEU B 69 -3.033 -4.811 3.819 1.00 0.00 C ATOM 0 H LEU B 69 -2.933 -3.004 -0.639 1.00 0.00 H new ATOM 0 HA LEU B 69 -4.513 -2.522 1.828 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -4.424 -4.817 0.667 1.00 0.00 H new ATOM 0 HB3 LEU B 69 -2.738 -4.876 1.140 1.00 0.00 H new ATOM 0 HG LEU B 69 -5.021 -4.545 3.101 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -4.674 -6.943 3.622 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -5.202 -6.702 1.939 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -3.493 -7.050 2.295 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -3.347 -5.236 4.772 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -2.105 -5.285 3.499 1.00 0.00 H new ATOM 0 HD23 LEU B 69 -2.872 -3.739 3.935 1.00 0.00 H new ATOM 1892 N VAL B 70 -2.559 -1.877 3.243 1.00 0.00 N ATOM 1893 CA VAL B 70 -1.434 -1.344 4.007 1.00 0.00 C ATOM 1894 C VAL B 70 -1.496 -1.782 5.468 1.00 0.00 C ATOM 1895 O VAL B 70 -2.501 -1.577 6.149 1.00 0.00 O ATOM 1896 CB VAL B 70 -1.395 0.197 3.939 1.00 0.00 C ATOM 1897 CG1 VAL B 70 -0.274 0.749 4.807 1.00 0.00 C ATOM 1898 CG2 VAL B 70 -1.234 0.663 2.499 1.00 0.00 C ATOM 0 H VAL B 70 -3.464 -1.795 3.707 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.526 -1.745 3.556 1.00 0.00 H new ATOM 0 HB VAL B 70 -2.341 0.579 4.323 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.266 1.837 4.743 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -0.433 0.448 5.842 1.00 0.00 H new ATOM 0 HG13 VAL B 70 0.682 0.358 4.458 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -1.208 1.752 2.470 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -0.304 0.267 2.090 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.074 0.304 1.904 1.00 0.00 H new ATOM 1908 N LEU B 71 -0.408 -2.387 5.941 1.00 0.00 N ATOM 1909 CA LEU B 71 -0.324 -2.860 7.320 1.00 0.00 C ATOM 1910 C LEU B 71 -0.001 -1.715 8.275 1.00 0.00 C ATOM 1911 O LEU B 71 0.789 -0.828 7.954 1.00 0.00 O ATOM 1912 CB LEU B 71 0.738 -3.954 7.440 1.00 0.00 C ATOM 1913 CG LEU B 71 0.488 -5.197 6.584 1.00 0.00 C ATOM 1914 CD1 LEU B 71 1.661 -6.159 6.687 1.00 0.00 C ATOM 1915 CD2 LEU B 71 -0.803 -5.884 7.003 1.00 0.00 C ATOM 0 H LEU B 71 0.430 -2.561 5.387 1.00 0.00 H new ATOM 0 HA LEU B 71 -1.295 -3.271 7.595 1.00 0.00 H new ATOM 0 HB2 LEU B 71 1.705 -3.532 7.166 1.00 0.00 H new ATOM 0 HB3 LEU B 71 0.807 -4.259 8.484 1.00 0.00 H new ATOM 0 HG LEU B 71 0.389 -4.884 5.545 1.00 0.00 H new ATOM 0 HD11 LEU B 71 1.466 -7.038 6.072 1.00 0.00 H new ATOM 0 HD12 LEU B 71 2.568 -5.665 6.338 1.00 0.00 H new ATOM 0 HD13 LEU B 71 1.791 -6.465 7.725 1.00 0.00 H new ATOM 0 HD21 LEU B 71 -0.964 -6.766 6.383 1.00 0.00 H new ATOM 0 HD22 LEU B 71 -0.733 -6.184 8.049 1.00 0.00 H new ATOM 0 HD23 LEU B 71 -1.639 -5.195 6.878 1.00 0.00 H new ATOM 1927 N ARG B 72 -0.617 -1.745 9.453 1.00 0.00 N ATOM 1928 CA ARG B 72 -0.394 -0.712 10.459 1.00 0.00 C ATOM 1929 C ARG B 72 1.045 -0.750 10.963 1.00 0.00 C ATOM 1930 O ARG B 72 1.767 -1.722 10.739 1.00 0.00 O ATOM 1931 CB ARG B 72 -1.357 -0.886 11.635 1.00 0.00 C ATOM 1932 CG ARG B 72 -1.412 0.320 12.559 1.00 0.00 C ATOM 1933 CD ARG B 72 -2.355 0.089 13.728 1.00 0.00 C ATOM 1934 NE ARG B 72 -2.446 1.262 14.594 1.00 0.00 N ATOM 1935 CZ ARG B 72 -3.219 1.323 15.675 1.00 0.00 C ATOM 1936 NH1 ARG B 72 -3.961 0.281 16.023 1.00 0.00 N ATOM 1937 NH2 ARG B 72 -3.249 2.427 16.409 1.00 0.00 N ATOM 0 H ARG B 72 -1.274 -2.473 9.734 1.00 0.00 H new ATOM 0 HA ARG B 72 -0.578 0.255 9.991 1.00 0.00 H new ATOM 0 HB2 ARG B 72 -2.357 -1.084 11.249 1.00 0.00 H new ATOM 0 HB3 ARG B 72 -1.059 -1.762 12.211 1.00 0.00 H new ATOM 0 HG2 ARG B 72 -0.412 0.536 12.935 1.00 0.00 H new ATOM 0 HG3 ARG B 72 -1.737 1.195 11.996 1.00 0.00 H new ATOM 0 HD2 ARG B 72 -3.346 -0.162 13.351 1.00 0.00 H new ATOM 0 HD3 ARG B 72 -2.010 -0.766 14.310 1.00 0.00 H new ATOM 0 HE ARG B 72 -1.885 2.080 14.356 1.00 0.00 H new ATOM 0 HH11 ARG B 72 -3.940 -0.570 15.461 1.00 0.00 H new ATOM 0 HH12 ARG B 72 -4.553 0.331 16.852 1.00 0.00 H new ATOM 0 HH21 ARG B 72 -2.679 3.231 16.145 1.00 0.00 H new ATOM 0 HH22 ARG B 72 -3.842 2.473 17.238 1.00 0.00 H new