USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 728 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 37 CYS SG : rot -117:sc= -5.73! USER MOD Set 1.2: A 47 CYS SG : rot -62:sc= -4.43! USER MOD Set 2.1: A 27 GLN : amide:sc= -9.87! C(o=-21!,f=-17!) USER MOD Set 2.2: A 32 TYR OH : rot -28:sc= -11.5! USER MOD Single : A 1 ALA N :NH3+ 148:sc= 0.0362 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.767 USER MOD Single : A 8 THR OG1 : rot 180:sc= -4.19! USER MOD Single : A 10 SER OG : rot 27:sc= -1.44! USER MOD Single : A 11 SER OG : rot 7:sc= 0.981 USER MOD Single : A 14 SER OG : rot -63:sc= 0.377 USER MOD Single : A 17 THR OG1 : rot 89:sc= 0.544 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.101 USER MOD Single : A 36 GLN : amide:sc= -8.07! C(o=-8.1!,f=-9.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -7.88! C(o=-7.9!,f=-24!) USER MOD Single : A 53 SER OG : rot -160:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.246 K(o=-0.25,f=-3!) USER MOD Single : A 62 SER OG : rot 14:sc= 1.23 USER MOD Single : A 64 SER OG : rot 180:sc= -0.249 USER MOD Single : A 65 THR OG1 : rot 51:sc= -1.21 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 150:sc= -2.37! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0728 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00126 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -160:sc= -0.268 USER MOD Single : A 103 ASN : amide:sc= -9.28! C(o=-9.3!,f=-4.7!) USER MOD Single : A 111 SER OG : rot 57:sc= 0.722 USER MOD Single : A 113 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.593 12.894 -5.996 1.00 0.00 N ATOM 2 CA ALA A 1 0.715 13.330 -5.551 1.00 0.00 C ATOM 3 C ALA A 1 1.323 12.280 -4.631 1.00 0.00 C ATOM 4 O ALA A 1 0.617 11.670 -3.831 1.00 0.00 O ATOM 5 CB ALA A 1 0.586 14.670 -4.831 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.206 13.722 -6.135 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.500 12.378 -6.894 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.013 12.268 -5.279 1.00 0.00 H new ATOM 0 HA ALA A 1 1.373 13.456 -6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.570 14.999 -4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.169 15.411 -5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.072 14.558 -3.970 1.00 0.00 H new ATOM 11 N ALA A 2 2.636 12.071 -4.747 1.00 0.00 N ATOM 12 CA ALA A 2 3.331 11.097 -3.929 1.00 0.00 C ATOM 13 C ALA A 2 4.690 11.645 -3.518 1.00 0.00 C ATOM 14 O ALA A 2 5.519 11.957 -4.370 1.00 0.00 O ATOM 15 CB ALA A 2 3.485 9.796 -4.711 1.00 0.00 C ATOM 0 H ALA A 2 3.235 12.570 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 2 2.755 10.896 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.008 9.062 -4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.500 9.412 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.058 9.983 -5.619 1.00 0.00 H new ATOM 21 N PRO A 3 4.917 11.761 -2.208 1.00 0.00 N ATOM 22 CA PRO A 3 6.149 12.260 -1.634 1.00 0.00 C ATOM 23 C PRO A 3 7.248 11.221 -1.805 1.00 0.00 C ATOM 24 O PRO A 3 7.041 10.195 -2.449 1.00 0.00 O ATOM 25 CB PRO A 3 5.830 12.483 -0.158 1.00 0.00 C ATOM 26 CG PRO A 3 4.763 11.426 0.122 1.00 0.00 C ATOM 27 CD PRO A 3 3.965 11.404 -1.179 1.00 0.00 C ATOM 0 HA PRO A 3 6.500 13.176 -2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.710 12.346 0.471 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.459 13.491 0.028 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.204 10.454 0.343 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.140 11.695 0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.536 10.419 -1.363 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.136 12.111 -1.146 1.00 0.00 H new ATOM 35 N THR A 4 8.421 11.490 -1.226 1.00 0.00 N ATOM 36 CA THR A 4 9.542 10.577 -1.320 1.00 0.00 C ATOM 37 C THR A 4 9.621 9.721 -0.064 1.00 0.00 C ATOM 38 O THR A 4 9.939 10.221 1.013 1.00 0.00 O ATOM 39 CB THR A 4 10.830 11.373 -1.513 1.00 0.00 C ATOM 40 OG1 THR A 4 11.934 10.497 -1.473 1.00 0.00 O ATOM 41 CG2 THR A 4 10.961 12.407 -0.398 1.00 0.00 C ATOM 0 H THR A 4 8.610 12.336 -0.689 1.00 0.00 H new ATOM 0 HA THR A 4 9.405 9.916 -2.176 1.00 0.00 H new ATOM 0 HB THR A 4 10.803 11.880 -2.478 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.761 11.007 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.881 12.976 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.108 13.084 -0.428 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.988 11.900 0.567 1.00 0.00 H new ATOM 49 N ALA A 5 9.330 8.426 -0.204 1.00 0.00 N ATOM 50 CA ALA A 5 9.368 7.508 0.916 1.00 0.00 C ATOM 51 C ALA A 5 10.229 6.303 0.566 1.00 0.00 C ATOM 52 O ALA A 5 10.272 5.882 -0.588 1.00 0.00 O ATOM 53 CB ALA A 5 7.947 7.074 1.265 1.00 0.00 C ATOM 0 H ALA A 5 9.065 7.996 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 5 9.806 8.003 1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.974 6.383 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.355 7.949 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.496 6.579 0.405 1.00 0.00 H new ATOM 59 N THR A 6 10.917 5.747 1.566 1.00 0.00 N ATOM 60 CA THR A 6 11.770 4.595 1.355 1.00 0.00 C ATOM 61 C THR A 6 11.149 3.364 1.998 1.00 0.00 C ATOM 62 O THR A 6 11.054 3.280 3.221 1.00 0.00 O ATOM 63 CB THR A 6 13.151 4.872 1.941 1.00 0.00 C ATOM 64 OG1 THR A 6 13.017 5.634 3.120 1.00 0.00 O ATOM 65 CG2 THR A 6 13.988 5.648 0.928 1.00 0.00 C ATOM 0 H THR A 6 10.894 6.083 2.529 1.00 0.00 H new ATOM 0 HA THR A 6 11.873 4.407 0.286 1.00 0.00 H new ATOM 0 HB THR A 6 13.643 3.927 2.172 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.904 5.811 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.975 5.846 1.347 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.092 5.060 0.016 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.496 6.593 0.697 1.00 0.00 H new ATOM 73 N VAL A 7 10.725 2.406 1.170 1.00 0.00 N ATOM 74 CA VAL A 7 10.116 1.186 1.659 1.00 0.00 C ATOM 75 C VAL A 7 11.066 0.016 1.447 1.00 0.00 C ATOM 76 O VAL A 7 11.797 -0.021 0.460 1.00 0.00 O ATOM 77 CB VAL A 7 8.795 0.950 0.932 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.219 2.288 0.477 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.037 0.061 -0.284 1.00 0.00 C ATOM 0 H VAL A 7 10.797 2.461 0.154 1.00 0.00 H new ATOM 0 HA VAL A 7 9.915 1.277 2.727 1.00 0.00 H new ATOM 0 HB VAL A 7 8.091 0.462 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.275 2.120 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.047 2.924 1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.922 2.777 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.094 -0.108 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.741 0.550 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.449 -0.895 0.040 1.00 0.00 H new ATOM 89 N THR A 8 11.053 -0.943 2.376 1.00 0.00 N ATOM 90 CA THR A 8 11.912 -2.106 2.281 1.00 0.00 C ATOM 91 C THR A 8 11.473 -2.981 1.115 1.00 0.00 C ATOM 92 O THR A 8 10.403 -2.774 0.548 1.00 0.00 O ATOM 93 CB THR A 8 11.857 -2.886 3.591 1.00 0.00 C ATOM 94 OG1 THR A 8 13.159 -3.292 3.951 1.00 0.00 O ATOM 95 CG2 THR A 8 10.971 -4.116 3.415 1.00 0.00 C ATOM 0 H THR A 8 10.453 -0.929 3.201 1.00 0.00 H new ATOM 0 HA THR A 8 12.940 -1.789 2.104 1.00 0.00 H new ATOM 0 HB THR A 8 11.444 -2.251 4.375 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.125 -3.792 4.793 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.932 -4.673 4.351 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.965 -3.803 3.137 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.383 -4.752 2.631 1.00 0.00 H new ATOM 103 N PRO A 9 12.306 -3.962 0.758 1.00 0.00 N ATOM 104 CA PRO A 9 12.056 -4.891 -0.323 1.00 0.00 C ATOM 105 C PRO A 9 10.965 -5.870 0.088 1.00 0.00 C ATOM 106 O PRO A 9 11.137 -6.633 1.035 1.00 0.00 O ATOM 107 CB PRO A 9 13.385 -5.611 -0.535 1.00 0.00 C ATOM 108 CG PRO A 9 14.007 -5.593 0.861 1.00 0.00 C ATOM 109 CD PRO A 9 13.572 -4.233 1.403 1.00 0.00 C ATOM 0 HA PRO A 9 11.717 -4.400 -1.235 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.240 -6.628 -0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.012 -5.097 -1.264 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.639 -6.412 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.092 -5.685 0.822 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.466 -4.256 2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.307 -3.462 1.171 1.00 0.00 H new ATOM 117 N SER A 10 9.838 -5.845 -0.628 1.00 0.00 N ATOM 118 CA SER A 10 8.727 -6.728 -0.334 1.00 0.00 C ATOM 119 C SER A 10 8.319 -7.480 -1.592 1.00 0.00 C ATOM 120 O SER A 10 7.224 -8.036 -1.659 1.00 0.00 O ATOM 121 CB SER A 10 7.559 -5.910 0.210 1.00 0.00 C ATOM 122 OG SER A 10 6.347 -6.449 -0.267 1.00 0.00 O ATOM 0 H SER A 10 9.679 -5.218 -1.416 1.00 0.00 H new ATOM 0 HA SER A 10 9.026 -7.457 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.570 -5.920 1.300 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.654 -4.869 -0.100 1.00 0.00 H new ATOM 0 HG SER A 10 6.465 -7.403 -0.455 1.00 0.00 H new ATOM 128 N SER A 11 9.203 -7.499 -2.592 1.00 0.00 N ATOM 129 CA SER A 11 8.931 -8.184 -3.840 1.00 0.00 C ATOM 130 C SER A 11 9.511 -9.590 -3.794 1.00 0.00 C ATOM 131 O SER A 11 10.728 -9.761 -3.765 1.00 0.00 O ATOM 132 CB SER A 11 9.529 -7.389 -4.997 1.00 0.00 C ATOM 133 OG SER A 11 10.924 -7.591 -5.033 1.00 0.00 O ATOM 0 H SER A 11 10.115 -7.043 -2.553 1.00 0.00 H new ATOM 0 HA SER A 11 7.854 -8.262 -3.989 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.081 -7.704 -5.939 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.307 -6.329 -4.877 1.00 0.00 H new ATOM 0 HG SER A 11 11.171 -8.282 -4.384 1.00 0.00 H new ATOM 139 N GLY A 12 8.637 -10.600 -3.789 1.00 0.00 N ATOM 140 CA GLY A 12 9.071 -11.982 -3.748 1.00 0.00 C ATOM 141 C GLY A 12 9.247 -12.437 -2.306 1.00 0.00 C ATOM 142 O GLY A 12 10.063 -13.312 -2.023 1.00 0.00 O ATOM 0 H GLY A 12 7.625 -10.477 -3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.339 -12.615 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.011 -12.091 -4.289 1.00 0.00 H new ATOM 146 N LEU A 13 8.479 -11.839 -1.392 1.00 0.00 N ATOM 147 CA LEU A 13 8.552 -12.184 0.014 1.00 0.00 C ATOM 148 C LEU A 13 7.305 -12.954 0.423 1.00 0.00 C ATOM 149 O LEU A 13 6.196 -12.598 0.031 1.00 0.00 O ATOM 150 CB LEU A 13 8.697 -10.911 0.842 1.00 0.00 C ATOM 151 CG LEU A 13 9.643 -9.947 0.132 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.396 -9.117 1.168 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.640 -10.739 -0.708 1.00 0.00 C ATOM 0 H LEU A 13 7.799 -11.111 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 13 9.420 -12.819 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.723 -10.443 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.082 -11.151 1.833 1.00 0.00 H new ATOM 0 HG LEU A 13 9.068 -9.285 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.072 -8.428 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.684 -8.551 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.971 -9.778 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.316 -10.051 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.215 -11.402 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.102 -11.331 -1.448 1.00 0.00 H new ATOM 165 N SER A 14 7.488 -14.014 1.214 1.00 0.00 N ATOM 166 CA SER A 14 6.379 -14.826 1.671 1.00 0.00 C ATOM 167 C SER A 14 5.633 -14.102 2.783 1.00 0.00 C ATOM 168 O SER A 14 6.226 -13.327 3.530 1.00 0.00 O ATOM 169 CB SER A 14 6.904 -16.173 2.160 1.00 0.00 C ATOM 170 OG SER A 14 5.824 -17.065 2.328 1.00 0.00 O ATOM 0 H SER A 14 8.401 -14.324 1.547 1.00 0.00 H new ATOM 0 HA SER A 14 5.685 -14.998 0.848 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.617 -16.579 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.436 -16.048 3.103 1.00 0.00 H new ATOM 0 HG SER A 14 5.227 -16.728 3.028 1.00 0.00 H new ATOM 176 N ASP A 15 4.327 -14.358 2.892 1.00 0.00 N ATOM 177 CA ASP A 15 3.508 -13.731 3.910 1.00 0.00 C ATOM 178 C ASP A 15 4.236 -13.759 5.246 1.00 0.00 C ATOM 179 O ASP A 15 5.063 -14.636 5.486 1.00 0.00 O ATOM 180 CB ASP A 15 2.171 -14.461 4.007 1.00 0.00 C ATOM 181 CG ASP A 15 2.361 -15.964 3.862 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.499 -16.419 4.110 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.365 -16.630 3.506 1.00 0.00 O ATOM 0 H ASP A 15 3.821 -14.999 2.281 1.00 0.00 H new ATOM 0 HA ASP A 15 3.320 -12.691 3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.701 -14.241 4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.497 -14.099 3.230 1.00 0.00 H new ATOM 188 N GLY A 16 3.928 -12.796 6.118 1.00 0.00 N ATOM 189 CA GLY A 16 4.556 -12.721 7.422 1.00 0.00 C ATOM 190 C GLY A 16 5.692 -11.707 7.402 1.00 0.00 C ATOM 191 O GLY A 16 6.053 -11.155 8.439 1.00 0.00 O ATOM 0 H GLY A 16 3.245 -12.060 5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.819 -12.437 8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.939 -13.701 7.706 1.00 0.00 H new ATOM 195 N THR A 17 6.255 -11.462 6.217 1.00 0.00 N ATOM 196 CA THR A 17 7.344 -10.517 6.072 1.00 0.00 C ATOM 197 C THR A 17 6.868 -9.118 6.436 1.00 0.00 C ATOM 198 O THR A 17 5.696 -8.793 6.262 1.00 0.00 O ATOM 199 CB THR A 17 7.862 -10.556 4.637 1.00 0.00 C ATOM 200 OG1 THR A 17 8.553 -11.765 4.420 1.00 0.00 O ATOM 201 CG2 THR A 17 8.809 -9.381 4.406 1.00 0.00 C ATOM 0 H THR A 17 5.968 -11.910 5.347 1.00 0.00 H new ATOM 0 HA THR A 17 8.157 -10.788 6.746 1.00 0.00 H new ATOM 0 HB THR A 17 7.022 -10.488 3.945 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.925 -12.449 4.106 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.179 -9.408 3.381 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.276 -8.445 4.574 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.649 -9.449 5.097 1.00 0.00 H new ATOM 209 N VAL A 18 7.784 -8.288 6.942 1.00 0.00 N ATOM 210 CA VAL A 18 7.456 -6.930 7.327 1.00 0.00 C ATOM 211 C VAL A 18 8.154 -5.949 6.397 1.00 0.00 C ATOM 212 O VAL A 18 9.378 -5.957 6.288 1.00 0.00 O ATOM 213 CB VAL A 18 7.877 -6.697 8.775 1.00 0.00 C ATOM 214 CG1 VAL A 18 9.393 -6.833 8.892 1.00 0.00 C ATOM 215 CG2 VAL A 18 7.457 -5.296 9.207 1.00 0.00 C ATOM 0 H VAL A 18 8.760 -8.543 7.092 1.00 0.00 H new ATOM 0 HA VAL A 18 6.380 -6.774 7.246 1.00 0.00 H new ATOM 0 HB VAL A 18 7.396 -7.435 9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.694 -6.667 9.926 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.693 -7.834 8.583 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.875 -6.095 8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.757 -5.129 10.241 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.938 -4.558 8.566 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.375 -5.199 9.123 1.00 0.00 H new ATOM 225 N VAL A 19 7.371 -5.100 5.726 1.00 0.00 N ATOM 226 CA VAL A 19 7.916 -4.118 4.810 1.00 0.00 C ATOM 227 C VAL A 19 8.041 -2.774 5.512 1.00 0.00 C ATOM 228 O VAL A 19 7.303 -2.492 6.454 1.00 0.00 O ATOM 229 CB VAL A 19 7.012 -4.008 3.586 1.00 0.00 C ATOM 230 CG1 VAL A 19 5.558 -3.896 4.036 1.00 0.00 C ATOM 231 CG2 VAL A 19 7.393 -2.767 2.783 1.00 0.00 C ATOM 0 H VAL A 19 6.354 -5.080 5.807 1.00 0.00 H new ATOM 0 HA VAL A 19 8.908 -4.429 4.484 1.00 0.00 H new ATOM 0 HB VAL A 19 7.132 -4.895 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.912 -3.817 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.286 -4.782 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.437 -3.009 4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.748 -2.687 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.272 -1.880 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.432 -2.846 2.462 1.00 0.00 H new ATOM 241 N LYS A 20 8.978 -1.941 5.051 1.00 0.00 N ATOM 242 CA LYS A 20 9.192 -0.633 5.637 1.00 0.00 C ATOM 243 C LYS A 20 8.674 0.446 4.697 1.00 0.00 C ATOM 244 O LYS A 20 8.672 0.266 3.481 1.00 0.00 O ATOM 245 CB LYS A 20 10.679 -0.439 5.915 1.00 0.00 C ATOM 246 CG LYS A 20 10.855 0.454 7.140 1.00 0.00 C ATOM 247 CD LYS A 20 10.695 1.915 6.733 1.00 0.00 C ATOM 248 CE LYS A 20 12.034 2.634 6.880 1.00 0.00 C ATOM 249 NZ LYS A 20 12.221 3.124 8.254 1.00 0.00 N ATOM 0 H LYS A 20 9.598 -2.159 4.271 1.00 0.00 H new ATOM 0 HA LYS A 20 8.646 -0.559 6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.157 -1.404 6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.166 0.012 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.119 0.195 7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.839 0.294 7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.346 1.980 5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.941 2.397 7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.846 1.955 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.080 3.470 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.138 3.609 8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.458 3.789 8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.200 2.321 8.915 1.00 0.00 H new ATOM 263 N VAL A 21 8.233 1.571 5.264 1.00 0.00 N ATOM 264 CA VAL A 21 7.715 2.673 4.477 1.00 0.00 C ATOM 265 C VAL A 21 8.012 3.990 5.178 1.00 0.00 C ATOM 266 O VAL A 21 7.397 4.307 6.194 1.00 0.00 O ATOM 267 CB VAL A 21 6.213 2.492 4.277 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.459 3.309 5.323 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.825 2.970 2.881 1.00 0.00 C ATOM 0 H VAL A 21 8.228 1.735 6.271 1.00 0.00 H new ATOM 0 HA VAL A 21 8.198 2.687 3.500 1.00 0.00 H new ATOM 0 HB VAL A 21 5.956 1.438 4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.386 3.180 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.736 2.968 6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.715 4.363 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.752 2.841 2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.081 4.024 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.364 2.387 2.134 1.00 0.00 H new ATOM 279 N ALA A 22 8.957 4.759 4.633 1.00 0.00 N ATOM 280 CA ALA A 22 9.330 6.036 5.208 1.00 0.00 C ATOM 281 C ALA A 22 9.064 7.150 4.206 1.00 0.00 C ATOM 282 O ALA A 22 9.693 7.202 3.151 1.00 0.00 O ATOM 283 CB ALA A 22 10.804 6.004 5.602 1.00 0.00 C ATOM 0 H ALA A 22 9.475 4.511 3.790 1.00 0.00 H new ATOM 0 HA ALA A 22 8.733 6.226 6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.086 6.964 6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.968 5.214 6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.413 5.811 4.719 1.00 0.00 H new ATOM 289 N GLY A 23 8.128 8.043 4.536 1.00 0.00 N ATOM 290 CA GLY A 23 7.787 9.147 3.662 1.00 0.00 C ATOM 291 C GLY A 23 8.734 10.316 3.895 1.00 0.00 C ATOM 292 O GLY A 23 9.090 10.612 5.033 1.00 0.00 O ATOM 0 H GLY A 23 7.597 8.015 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.842 8.827 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.759 9.461 3.845 1.00 0.00 H new ATOM 296 N ALA A 24 9.141 10.980 2.811 1.00 0.00 N ATOM 297 CA ALA A 24 10.044 12.110 2.901 1.00 0.00 C ATOM 298 C ALA A 24 9.557 13.232 1.995 1.00 0.00 C ATOM 299 O ALA A 24 9.613 13.114 0.773 1.00 0.00 O ATOM 300 CB ALA A 24 11.451 11.669 2.508 1.00 0.00 C ATOM 0 H ALA A 24 8.853 10.747 1.861 1.00 0.00 H new ATOM 0 HA ALA A 24 10.067 12.481 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.131 12.518 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.787 10.881 3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.442 11.292 1.485 1.00 0.00 H new ATOM 306 N GLY A 25 9.079 14.324 2.597 1.00 0.00 N ATOM 307 CA GLY A 25 8.586 15.457 1.838 1.00 0.00 C ATOM 308 C GLY A 25 7.064 15.470 1.839 1.00 0.00 C ATOM 309 O GLY A 25 6.446 16.082 0.970 1.00 0.00 O ATOM 0 H GLY A 25 9.026 14.440 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.965 16.384 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.956 15.406 0.814 1.00 0.00 H new ATOM 313 N LEU A 26 6.461 14.793 2.818 1.00 0.00 N ATOM 314 CA LEU A 26 5.017 14.730 2.928 1.00 0.00 C ATOM 315 C LEU A 26 4.510 15.904 3.753 1.00 0.00 C ATOM 316 O LEU A 26 5.258 16.839 4.032 1.00 0.00 O ATOM 317 CB LEU A 26 4.613 13.405 3.569 1.00 0.00 C ATOM 318 CG LEU A 26 5.666 12.347 3.254 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.002 10.975 3.181 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.324 12.666 1.915 1.00 0.00 C ATOM 0 H LEU A 26 6.960 14.281 3.545 1.00 0.00 H new ATOM 0 HA LEU A 26 4.571 14.790 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.514 13.526 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.640 13.088 3.193 1.00 0.00 H new ATOM 0 HG LEU A 26 6.423 12.343 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.754 10.218 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.532 10.747 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.245 10.979 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.076 11.910 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.568 12.670 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.799 13.646 1.967 1.00 0.00 H new ATOM 332 N GLN A 27 3.234 15.855 4.143 1.00 0.00 N ATOM 333 CA GLN A 27 2.635 16.913 4.932 1.00 0.00 C ATOM 334 C GLN A 27 3.032 16.757 6.393 1.00 0.00 C ATOM 335 O GLN A 27 2.766 15.724 7.003 1.00 0.00 O ATOM 336 CB GLN A 27 1.118 16.864 4.776 1.00 0.00 C ATOM 337 CG GLN A 27 0.741 17.227 3.342 1.00 0.00 C ATOM 338 CD GLN A 27 0.552 15.975 2.497 1.00 0.00 C ATOM 339 OE1 GLN A 27 1.368 15.683 1.626 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.529 15.235 2.757 1.00 0.00 N ATOM 0 H GLN A 27 2.601 15.087 3.920 1.00 0.00 H new ATOM 0 HA GLN A 27 2.993 17.881 4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.749 15.868 5.019 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.648 17.557 5.473 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.178 17.814 3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.519 17.852 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.177 15.520 3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.706 14.385 2.222 1.00 0.00 H new ATOM 349 N ALA A 28 3.671 17.787 6.953 1.00 0.00 N ATOM 350 CA ALA A 28 4.101 17.759 8.336 1.00 0.00 C ATOM 351 C ALA A 28 2.892 17.865 9.254 1.00 0.00 C ATOM 352 O ALA A 28 2.001 18.677 9.018 1.00 0.00 O ATOM 353 CB ALA A 28 5.074 18.907 8.588 1.00 0.00 C ATOM 0 H ALA A 28 3.899 18.650 6.460 1.00 0.00 H new ATOM 0 HA ALA A 28 4.609 16.817 8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.398 18.887 9.628 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.941 18.799 7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.579 19.856 8.380 1.00 0.00 H new ATOM 359 N GLY A 29 2.862 17.040 10.304 1.00 0.00 N ATOM 360 CA GLY A 29 1.761 17.049 11.247 1.00 0.00 C ATOM 361 C GLY A 29 0.506 16.482 10.599 1.00 0.00 C ATOM 362 O GLY A 29 -0.570 16.515 11.191 1.00 0.00 O ATOM 0 H GLY A 29 3.592 16.360 10.515 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.022 16.461 12.127 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.574 18.067 11.588 1.00 0.00 H new ATOM 366 N THR A 30 0.647 15.960 9.378 1.00 0.00 N ATOM 367 CA THR A 30 -0.475 15.390 8.661 1.00 0.00 C ATOM 368 C THR A 30 -0.496 13.879 8.846 1.00 0.00 C ATOM 369 O THR A 30 0.548 13.232 8.812 1.00 0.00 O ATOM 370 CB THR A 30 -0.369 15.751 7.182 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.218 16.842 6.903 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.785 14.552 6.334 1.00 0.00 C ATOM 0 H THR A 30 1.532 15.925 8.872 1.00 0.00 H new ATOM 0 HA THR A 30 -1.406 15.796 9.056 1.00 0.00 H new ATOM 0 HB THR A 30 0.660 16.022 6.947 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.401 16.877 5.941 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.709 14.810 5.278 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.129 13.709 6.550 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.814 14.280 6.568 1.00 0.00 H new ATOM 380 N ALA A 31 -1.691 13.318 9.043 1.00 0.00 N ATOM 381 CA ALA A 31 -1.843 11.889 9.234 1.00 0.00 C ATOM 382 C ALA A 31 -1.957 11.198 7.882 1.00 0.00 C ATOM 383 O ALA A 31 -2.440 11.790 6.919 1.00 0.00 O ATOM 384 CB ALA A 31 -3.080 11.619 10.085 1.00 0.00 C ATOM 0 H ALA A 31 -2.566 13.841 9.073 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.969 11.492 9.751 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.195 10.545 10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.968 12.105 11.054 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.962 12.014 9.581 1.00 0.00 H new ATOM 390 N TYR A 32 -1.510 9.942 7.812 1.00 0.00 N ATOM 391 CA TYR A 32 -1.563 9.181 6.580 1.00 0.00 C ATOM 392 C TYR A 32 -2.046 7.767 6.867 1.00 0.00 C ATOM 393 O TYR A 32 -1.906 7.276 7.986 1.00 0.00 O ATOM 394 CB TYR A 32 -0.179 9.160 5.938 1.00 0.00 C ATOM 395 CG TYR A 32 0.148 10.418 5.169 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.338 10.589 3.867 1.00 0.00 C ATOM 397 CD2 TYR A 32 0.937 11.413 5.757 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.034 11.755 3.154 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.241 12.579 5.044 1.00 0.00 C ATOM 400 CZ TYR A 32 0.755 12.750 3.742 1.00 0.00 C ATOM 401 OH TYR A 32 1.051 13.886 3.048 1.00 0.00 O ATOM 0 H TYR A 32 -1.108 9.437 8.601 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.264 9.649 5.888 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.571 9.014 6.715 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.112 8.305 5.265 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.947 9.822 3.413 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.312 11.281 6.761 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.409 11.887 2.150 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.850 13.346 5.498 1.00 0.00 H new ATOM 0 HH TYR A 32 1.050 13.692 2.087 1.00 0.00 H new ATOM 411 N ASP A 33 -2.616 7.112 5.854 1.00 0.00 N ATOM 412 CA ASP A 33 -3.116 5.760 6.002 1.00 0.00 C ATOM 413 C ASP A 33 -2.427 4.843 5.003 1.00 0.00 C ATOM 414 O ASP A 33 -2.608 4.989 3.796 1.00 0.00 O ATOM 415 CB ASP A 33 -4.628 5.752 5.791 1.00 0.00 C ATOM 416 CG ASP A 33 -5.354 6.222 7.043 1.00 0.00 C ATOM 417 OD1 ASP A 33 -4.813 7.135 7.704 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.436 5.660 7.316 1.00 0.00 O ATOM 0 H ASP A 33 -2.739 7.505 4.921 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.901 5.396 7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.885 6.399 4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.958 4.746 5.531 1.00 0.00 H new ATOM 423 N VAL A 34 -1.634 3.894 5.508 1.00 0.00 N ATOM 424 CA VAL A 34 -0.923 2.960 4.659 1.00 0.00 C ATOM 425 C VAL A 34 -1.730 1.677 4.516 1.00 0.00 C ATOM 426 O VAL A 34 -2.393 1.251 5.458 1.00 0.00 O ATOM 427 CB VAL A 34 0.450 2.672 5.259 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.506 2.713 4.159 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.774 3.725 6.315 1.00 0.00 C ATOM 0 H VAL A 34 -1.474 3.760 6.506 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.788 3.393 3.668 1.00 0.00 H new ATOM 0 HB VAL A 34 0.445 1.684 5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.487 2.507 4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.275 1.961 3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.512 3.700 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.755 3.520 6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.779 4.713 5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.020 3.695 7.102 1.00 0.00 H new ATOM 439 N GLY A 35 -1.672 1.061 3.333 1.00 0.00 N ATOM 440 CA GLY A 35 -2.397 -0.168 3.079 1.00 0.00 C ATOM 441 C GLY A 35 -1.780 -0.911 1.903 1.00 0.00 C ATOM 442 O GLY A 35 -0.969 -0.352 1.168 1.00 0.00 O ATOM 0 H GLY A 35 -1.127 1.400 2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.378 -0.800 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.443 0.055 2.869 1.00 0.00 H new ATOM 446 N GLN A 36 -2.168 -2.177 1.725 1.00 0.00 N ATOM 447 CA GLN A 36 -1.651 -2.989 0.642 1.00 0.00 C ATOM 448 C GLN A 36 -2.799 -3.475 -0.232 1.00 0.00 C ATOM 449 O GLN A 36 -3.559 -4.353 0.169 1.00 0.00 O ATOM 450 CB GLN A 36 -0.874 -4.169 1.219 1.00 0.00 C ATOM 451 CG GLN A 36 -0.169 -4.915 0.091 1.00 0.00 C ATOM 452 CD GLN A 36 0.066 -6.371 0.467 1.00 0.00 C ATOM 453 OE1 GLN A 36 0.953 -6.673 1.263 1.00 0.00 O ATOM 454 NE2 GLN A 36 -0.731 -7.274 -0.108 1.00 0.00 N ATOM 0 H GLN A 36 -2.841 -2.655 2.324 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.978 -2.394 0.025 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.144 -3.816 1.948 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.551 -4.841 1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.770 -4.862 -0.817 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.784 -4.434 -0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.453 -6.974 -0.763 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.618 -8.265 0.107 1.00 0.00 H new ATOM 463 N CYS A 37 -2.922 -2.901 -1.431 1.00 0.00 N ATOM 464 CA CYS A 37 -3.973 -3.277 -2.355 1.00 0.00 C ATOM 465 C CYS A 37 -3.393 -4.124 -3.478 1.00 0.00 C ATOM 466 O CYS A 37 -2.178 -4.281 -3.575 1.00 0.00 O ATOM 467 CB CYS A 37 -4.634 -2.019 -2.912 1.00 0.00 C ATOM 468 SG CYS A 37 -4.576 -0.599 -1.791 1.00 0.00 S ATOM 0 H CYS A 37 -2.299 -2.171 -1.778 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.727 -3.867 -1.834 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.147 -1.749 -3.849 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.675 -2.241 -3.147 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.786 -0.252 -1.468 1.00 0.00 H new ATOM 473 N ALA A 38 -4.265 -4.671 -4.328 1.00 0.00 N ATOM 474 CA ALA A 38 -3.835 -5.499 -5.437 1.00 0.00 C ATOM 475 C ALA A 38 -4.772 -5.302 -6.620 1.00 0.00 C ATOM 476 O ALA A 38 -5.986 -5.430 -6.481 1.00 0.00 O ATOM 477 CB ALA A 38 -3.815 -6.961 -5.000 1.00 0.00 C ATOM 0 H ALA A 38 -5.276 -4.550 -4.262 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.829 -5.211 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.492 -7.585 -5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.124 -7.082 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.815 -7.261 -4.688 1.00 0.00 H new ATOM 483 N TRP A 39 -4.205 -4.990 -7.788 1.00 0.00 N ATOM 484 CA TRP A 39 -4.995 -4.780 -8.985 1.00 0.00 C ATOM 485 C TRP A 39 -5.686 -6.076 -9.384 1.00 0.00 C ATOM 486 O TRP A 39 -5.026 -7.066 -9.689 1.00 0.00 O ATOM 487 CB TRP A 39 -4.091 -4.281 -10.108 1.00 0.00 C ATOM 488 CG TRP A 39 -4.485 -4.728 -11.479 1.00 0.00 C ATOM 489 CD1 TRP A 39 -5.745 -5.014 -11.875 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.640 -4.949 -12.650 1.00 0.00 C ATOM 491 NE1 TRP A 39 -5.737 -5.394 -13.200 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.463 -5.372 -13.728 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.262 -4.836 -12.910 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -3.949 -5.666 -14.995 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -1.737 -5.129 -14.176 1.00 0.00 C ATOM 496 CH2 TRP A 39 -2.575 -5.543 -15.219 1.00 0.00 C ATOM 0 H TRP A 39 -3.200 -4.879 -7.922 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.761 -4.030 -8.792 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.078 -3.191 -10.087 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.073 -4.616 -9.911 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.623 -4.954 -11.249 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.570 -5.659 -13.725 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.597 -4.518 -12.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.606 -5.984 -15.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -0.675 -5.035 -14.349 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.162 -5.766 -16.191 1.00 0.00 H new ATOM 507 N VAL A 40 -7.021 -6.066 -9.382 1.00 0.00 N ATOM 508 CA VAL A 40 -7.795 -7.237 -9.742 1.00 0.00 C ATOM 509 C VAL A 40 -8.242 -7.132 -11.194 1.00 0.00 C ATOM 510 O VAL A 40 -8.179 -8.108 -11.937 1.00 0.00 O ATOM 511 CB VAL A 40 -9.000 -7.355 -8.813 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.548 -7.896 -7.460 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.634 -5.980 -8.625 1.00 0.00 C ATOM 0 H VAL A 40 -7.583 -5.252 -9.133 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.181 -8.131 -9.634 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.731 -8.035 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.408 -7.980 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.095 -8.878 -7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.817 -7.216 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.495 -6.064 -7.962 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.904 -5.299 -8.188 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.957 -5.593 -9.591 1.00 0.00 H new ATOM 523 N ASP A 41 -8.694 -5.942 -11.597 1.00 0.00 N ATOM 524 CA ASP A 41 -9.148 -5.716 -12.954 1.00 0.00 C ATOM 525 C ASP A 41 -8.590 -4.398 -13.471 1.00 0.00 C ATOM 526 O ASP A 41 -7.910 -3.681 -12.741 1.00 0.00 O ATOM 527 CB ASP A 41 -10.673 -5.708 -12.984 1.00 0.00 C ATOM 528 CG ASP A 41 -11.208 -6.879 -13.797 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.228 -6.745 -15.039 1.00 0.00 O ATOM 530 OD2 ASP A 41 -11.586 -7.886 -13.160 1.00 0.00 O ATOM 0 H ASP A 41 -8.752 -5.122 -10.993 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.790 -6.517 -13.601 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.061 -5.760 -11.967 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.027 -4.771 -13.413 1.00 0.00 H new ATOM 535 N THR A 42 -8.879 -4.079 -14.735 1.00 0.00 N ATOM 536 CA THR A 42 -8.405 -2.849 -15.337 1.00 0.00 C ATOM 537 C THR A 42 -8.941 -1.653 -14.565 1.00 0.00 C ATOM 538 O THR A 42 -10.140 -1.384 -14.585 1.00 0.00 O ATOM 539 CB THR A 42 -8.849 -2.794 -16.796 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.690 -1.482 -17.286 1.00 0.00 O ATOM 541 CG2 THR A 42 -10.317 -3.200 -16.897 1.00 0.00 C ATOM 0 H THR A 42 -9.441 -4.662 -15.355 1.00 0.00 H new ATOM 0 HA THR A 42 -7.316 -2.819 -15.300 1.00 0.00 H new ATOM 0 HB THR A 42 -8.241 -3.479 -17.387 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.974 -1.446 -18.223 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.634 -3.161 -17.939 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.441 -4.214 -16.518 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.925 -2.515 -16.306 1.00 0.00 H new ATOM 549 N GLY A 43 -8.048 -0.932 -13.882 1.00 0.00 N ATOM 550 CA GLY A 43 -8.440 0.230 -13.109 1.00 0.00 C ATOM 551 C GLY A 43 -9.219 -0.197 -11.873 1.00 0.00 C ATOM 552 O GLY A 43 -9.770 0.642 -11.163 1.00 0.00 O ATOM 0 H GLY A 43 -7.050 -1.140 -13.854 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.555 0.794 -12.813 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.051 0.893 -13.721 1.00 0.00 H new ATOM 556 N VAL A 44 -9.263 -1.506 -11.617 1.00 0.00 N ATOM 557 CA VAL A 44 -9.972 -2.038 -10.471 1.00 0.00 C ATOM 558 C VAL A 44 -9.007 -2.807 -9.580 1.00 0.00 C ATOM 559 O VAL A 44 -8.491 -3.850 -9.976 1.00 0.00 O ATOM 560 CB VAL A 44 -11.105 -2.942 -10.949 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.966 -3.352 -9.758 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.962 -2.189 -11.962 1.00 0.00 C ATOM 0 H VAL A 44 -8.811 -2.213 -12.196 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.399 -1.220 -9.890 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.687 -3.833 -11.418 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.775 -3.998 -10.099 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.353 -3.890 -9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.385 -2.462 -9.289 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.772 -2.834 -12.304 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.381 -1.298 -11.494 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.347 -1.896 -12.813 1.00 0.00 H new ATOM 572 N LEU A 45 -8.765 -2.291 -8.373 1.00 0.00 N ATOM 573 CA LEU A 45 -7.865 -2.930 -7.434 1.00 0.00 C ATOM 574 C LEU A 45 -8.556 -3.093 -6.087 1.00 0.00 C ATOM 575 O LEU A 45 -9.282 -2.204 -5.648 1.00 0.00 O ATOM 576 CB LEU A 45 -6.598 -2.092 -7.293 1.00 0.00 C ATOM 577 CG LEU A 45 -6.771 -1.096 -6.151 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.400 -0.617 -5.680 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.588 0.098 -6.636 1.00 0.00 C ATOM 0 H LEU A 45 -9.186 -1.428 -8.030 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.591 -3.919 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.742 -2.738 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.394 -1.563 -8.224 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.290 -1.580 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.524 0.095 -4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.816 -1.469 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.880 -0.134 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.712 0.810 -5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.069 0.582 -7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.567 -0.243 -6.971 1.00 0.00 H new ATOM 591 N ALA A 46 -8.326 -4.233 -5.431 1.00 0.00 N ATOM 592 CA ALA A 46 -8.926 -4.507 -4.141 1.00 0.00 C ATOM 593 C ALA A 46 -7.934 -4.184 -3.032 1.00 0.00 C ATOM 594 O ALA A 46 -6.749 -4.487 -3.150 1.00 0.00 O ATOM 595 CB ALA A 46 -9.349 -5.972 -4.078 1.00 0.00 C ATOM 0 H ALA A 46 -7.725 -4.979 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.809 -3.882 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.800 -6.179 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.074 -6.176 -4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.475 -6.609 -4.215 1.00 0.00 H new ATOM 601 N CYS A 47 -8.422 -3.567 -1.954 1.00 0.00 N ATOM 602 CA CYS A 47 -7.579 -3.206 -0.832 1.00 0.00 C ATOM 603 C CYS A 47 -7.853 -4.139 0.339 1.00 0.00 C ATOM 604 O CYS A 47 -9.000 -4.499 0.593 1.00 0.00 O ATOM 605 CB CYS A 47 -7.847 -1.755 -0.441 1.00 0.00 C ATOM 606 SG CYS A 47 -7.232 -0.545 -1.639 1.00 0.00 S ATOM 0 H CYS A 47 -9.403 -3.309 -1.842 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.531 -3.305 -1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.921 -1.615 -0.317 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.386 -1.559 0.527 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.939 -0.644 -1.731 1.00 0.00 H new ATOM 611 N ASN A 48 -6.795 -4.531 1.053 1.00 0.00 N ATOM 612 CA ASN A 48 -6.929 -5.418 2.191 1.00 0.00 C ATOM 613 C ASN A 48 -6.884 -4.616 3.483 1.00 0.00 C ATOM 614 O ASN A 48 -5.843 -4.067 3.840 1.00 0.00 O ATOM 615 CB ASN A 48 -5.809 -6.455 2.159 1.00 0.00 C ATOM 616 CG ASN A 48 -5.742 -7.222 3.472 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.720 -7.272 4.215 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.584 -7.822 3.757 1.00 0.00 N ATOM 0 H ASN A 48 -5.837 -4.242 0.855 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.888 -5.934 2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.974 -7.150 1.335 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.855 -5.961 1.973 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.483 -8.351 4.623 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.800 -7.752 3.108 1.00 0.00 H new ATOM 625 N PRO A 49 -8.017 -4.549 4.185 1.00 0.00 N ATOM 626 CA PRO A 49 -8.162 -3.835 5.435 1.00 0.00 C ATOM 627 C PRO A 49 -7.439 -4.590 6.541 1.00 0.00 C ATOM 628 O PRO A 49 -7.440 -4.161 7.692 1.00 0.00 O ATOM 629 CB PRO A 49 -9.667 -3.796 5.692 1.00 0.00 C ATOM 630 CG PRO A 49 -10.157 -5.080 5.024 1.00 0.00 C ATOM 631 CD PRO A 49 -9.258 -5.182 3.794 1.00 0.00 C ATOM 0 HA PRO A 49 -7.736 -2.832 5.403 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.895 -3.782 6.758 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.129 -2.911 5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.047 -5.945 5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.211 -5.018 4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.098 -6.221 3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.704 -4.680 2.936 1.00 0.00 H new ATOM 639 N ALA A 50 -6.821 -5.720 6.189 1.00 0.00 N ATOM 640 CA ALA A 50 -6.101 -6.530 7.151 1.00 0.00 C ATOM 641 C ALA A 50 -4.672 -6.025 7.283 1.00 0.00 C ATOM 642 O ALA A 50 -3.970 -6.381 8.227 1.00 0.00 O ATOM 643 CB ALA A 50 -6.121 -7.989 6.703 1.00 0.00 C ATOM 0 H ALA A 50 -6.810 -6.089 5.238 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.582 -6.457 8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.580 -8.599 7.426 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.152 -8.335 6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.645 -8.076 5.726 1.00 0.00 H new ATOM 649 N ASP A 51 -4.240 -5.193 6.332 1.00 0.00 N ATOM 650 CA ASP A 51 -2.899 -4.646 6.346 1.00 0.00 C ATOM 651 C ASP A 51 -2.962 -3.126 6.330 1.00 0.00 C ATOM 652 O ASP A 51 -2.062 -2.471 5.811 1.00 0.00 O ATOM 653 CB ASP A 51 -2.125 -5.168 5.139 1.00 0.00 C ATOM 654 CG ASP A 51 -2.946 -5.029 3.865 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.574 -3.960 3.708 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.930 -5.995 3.071 1.00 0.00 O ATOM 0 H ASP A 51 -4.810 -4.888 5.543 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.384 -4.959 7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.190 -4.617 5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.863 -6.214 5.295 1.00 0.00 H new ATOM 661 N PHE A 52 -4.031 -2.564 6.900 1.00 0.00 N ATOM 662 CA PHE A 52 -4.204 -1.126 6.947 1.00 0.00 C ATOM 663 C PHE A 52 -3.422 -0.550 8.119 1.00 0.00 C ATOM 664 O PHE A 52 -3.824 -0.700 9.270 1.00 0.00 O ATOM 665 CB PHE A 52 -5.689 -0.798 7.073 1.00 0.00 C ATOM 666 CG PHE A 52 -6.263 -0.126 5.849 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.466 0.734 5.083 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.594 -0.359 5.481 1.00 0.00 C ATOM 669 CE1 PHE A 52 -5.999 1.359 3.949 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.127 0.266 4.347 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.329 1.125 3.581 1.00 0.00 C ATOM 0 H PHE A 52 -4.787 -3.093 7.334 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.823 -0.679 6.029 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.241 -1.718 7.265 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.838 -0.150 7.937 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.440 0.915 5.367 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.210 -1.021 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.384 2.022 3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.153 0.086 4.063 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.740 1.607 2.706 1.00 0.00 H new ATOM 681 N SER A 53 -2.301 0.111 7.822 1.00 0.00 N ATOM 682 CA SER A 53 -1.471 0.707 8.851 1.00 0.00 C ATOM 683 C SER A 53 -1.746 2.201 8.936 1.00 0.00 C ATOM 684 O SER A 53 -2.560 2.729 8.181 1.00 0.00 O ATOM 685 CB SER A 53 -0.002 0.444 8.533 1.00 0.00 C ATOM 686 OG SER A 53 0.142 -0.862 8.021 1.00 0.00 O ATOM 0 H SER A 53 -1.953 0.243 6.872 1.00 0.00 H new ATOM 0 HA SER A 53 -1.706 0.260 9.817 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.360 1.172 7.807 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.603 0.562 9.432 1.00 0.00 H new ATOM 0 HG SER A 53 1.075 -1.149 8.113 1.00 0.00 H new ATOM 692 N SER A 54 -1.065 2.883 9.859 1.00 0.00 N ATOM 693 CA SER A 54 -1.238 4.311 10.036 1.00 0.00 C ATOM 694 C SER A 54 0.086 4.946 10.437 1.00 0.00 C ATOM 695 O SER A 54 0.976 4.265 10.942 1.00 0.00 O ATOM 696 CB SER A 54 -2.303 4.566 11.098 1.00 0.00 C ATOM 697 OG SER A 54 -1.707 4.550 12.375 1.00 0.00 O ATOM 0 H SER A 54 -0.388 2.460 10.494 1.00 0.00 H new ATOM 0 HA SER A 54 -1.564 4.760 9.098 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.784 5.528 10.922 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.081 3.805 11.038 1.00 0.00 H new ATOM 0 HG SER A 54 -2.391 4.715 13.057 1.00 0.00 H new ATOM 703 N VAL A 55 0.214 6.256 10.212 1.00 0.00 N ATOM 704 CA VAL A 55 1.425 6.976 10.550 1.00 0.00 C ATOM 705 C VAL A 55 1.183 8.474 10.433 1.00 0.00 C ATOM 706 O VAL A 55 0.289 8.905 9.708 1.00 0.00 O ATOM 707 CB VAL A 55 2.554 6.536 9.622 1.00 0.00 C ATOM 708 CG1 VAL A 55 2.131 6.747 8.171 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.803 7.363 9.914 1.00 0.00 C ATOM 0 H VAL A 55 -0.515 6.834 9.795 1.00 0.00 H new ATOM 0 HA VAL A 55 1.711 6.753 11.578 1.00 0.00 H new ATOM 0 HB VAL A 55 2.770 5.481 9.787 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.937 6.433 7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.239 6.157 7.963 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.915 7.802 8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.610 7.050 9.252 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.587 8.419 9.749 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.105 7.212 10.950 1.00 0.00 H new ATOM 719 N THR A 56 1.983 9.269 11.148 1.00 0.00 N ATOM 720 CA THR A 56 1.849 10.711 11.116 1.00 0.00 C ATOM 721 C THR A 56 3.195 11.350 10.807 1.00 0.00 C ATOM 722 O THR A 56 4.221 10.932 11.340 1.00 0.00 O ATOM 723 CB THR A 56 1.313 11.201 12.459 1.00 0.00 C ATOM 724 OG1 THR A 56 0.244 10.377 12.866 1.00 0.00 O ATOM 725 CG2 THR A 56 0.822 12.638 12.317 1.00 0.00 C ATOM 0 H THR A 56 2.729 8.929 11.755 1.00 0.00 H new ATOM 0 HA THR A 56 1.147 10.997 10.333 1.00 0.00 H new ATOM 0 HB THR A 56 2.107 11.161 13.204 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.100 10.690 13.729 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.439 12.988 13.276 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.648 13.275 12.001 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.027 12.679 11.572 1.00 0.00 H new ATOM 733 N ALA A 57 3.189 12.368 9.943 1.00 0.00 N ATOM 734 CA ALA A 57 4.405 13.059 9.567 1.00 0.00 C ATOM 735 C ALA A 57 4.776 14.072 10.641 1.00 0.00 C ATOM 736 O ALA A 57 3.906 14.747 11.187 1.00 0.00 O ATOM 737 CB ALA A 57 4.203 13.748 8.221 1.00 0.00 C ATOM 0 H ALA A 57 2.346 12.727 9.494 1.00 0.00 H new ATOM 0 HA ALA A 57 5.221 12.342 9.474 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.118 14.268 7.938 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.960 13.003 7.464 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.387 14.466 8.299 1.00 0.00 H new ATOM 743 N ASP A 58 6.072 14.177 10.944 1.00 0.00 N ATOM 744 CA ASP A 58 6.549 15.104 11.950 1.00 0.00 C ATOM 745 C ASP A 58 6.703 16.490 11.341 1.00 0.00 C ATOM 746 O ASP A 58 6.200 16.750 10.251 1.00 0.00 O ATOM 747 CB ASP A 58 7.880 14.607 12.508 1.00 0.00 C ATOM 748 CG ASP A 58 8.951 14.590 11.427 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.634 15.047 10.307 1.00 0.00 O ATOM 750 OD2 ASP A 58 10.066 14.121 11.740 1.00 0.00 O ATOM 0 H ASP A 58 6.806 13.625 10.500 1.00 0.00 H new ATOM 0 HA ASP A 58 5.829 15.165 12.766 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.197 15.250 13.329 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.755 13.605 12.918 1.00 0.00 H new ATOM 755 N ALA A 59 7.402 17.381 12.049 1.00 0.00 N ATOM 756 CA ALA A 59 7.617 18.734 11.576 1.00 0.00 C ATOM 757 C ALA A 59 8.378 18.704 10.258 1.00 0.00 C ATOM 758 O ALA A 59 8.227 19.602 9.432 1.00 0.00 O ATOM 759 CB ALA A 59 8.390 19.523 12.629 1.00 0.00 C ATOM 0 H ALA A 59 7.827 17.180 12.954 1.00 0.00 H new ATOM 0 HA ALA A 59 6.657 19.222 11.408 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.552 20.541 12.274 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.818 19.549 13.557 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.352 19.044 12.809 1.00 0.00 H new ATOM 765 N ASN A 60 9.196 17.668 10.062 1.00 0.00 N ATOM 766 CA ASN A 60 9.974 17.529 8.847 1.00 0.00 C ATOM 767 C ASN A 60 9.121 16.899 7.755 1.00 0.00 C ATOM 768 O ASN A 60 9.621 16.586 6.676 1.00 0.00 O ATOM 769 CB ASN A 60 11.207 16.676 9.129 1.00 0.00 C ATOM 770 CG ASN A 60 12.392 17.547 9.520 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.316 18.771 9.446 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.489 16.912 9.939 1.00 0.00 N ATOM 0 H ASN A 60 9.331 16.915 10.736 1.00 0.00 H new ATOM 0 HA ASN A 60 10.298 18.512 8.504 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.990 15.969 9.930 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.458 16.089 8.246 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.313 17.446 10.215 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.503 15.893 9.983 1.00 0.00 H new ATOM 779 N GLY A 61 7.829 16.714 8.035 1.00 0.00 N ATOM 780 CA GLY A 61 6.918 16.124 7.075 1.00 0.00 C ATOM 781 C GLY A 61 7.367 14.713 6.721 1.00 0.00 C ATOM 782 O GLY A 61 7.006 14.189 5.669 1.00 0.00 O ATOM 0 H GLY A 61 7.397 16.968 8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.909 16.100 7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.879 16.738 6.175 1.00 0.00 H new ATOM 786 N SER A 62 8.157 14.098 7.604 1.00 0.00 N ATOM 787 CA SER A 62 8.649 12.753 7.381 1.00 0.00 C ATOM 788 C SER A 62 7.964 11.787 8.338 1.00 0.00 C ATOM 789 O SER A 62 7.901 12.040 9.539 1.00 0.00 O ATOM 790 CB SER A 62 10.162 12.727 7.577 1.00 0.00 C ATOM 791 OG SER A 62 10.701 11.598 6.925 1.00 0.00 O ATOM 0 H SER A 62 8.466 14.519 8.480 1.00 0.00 H new ATOM 0 HA SER A 62 8.422 12.443 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.607 13.638 7.177 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.401 12.695 8.640 1.00 0.00 H new ATOM 0 HG SER A 62 10.033 11.223 6.315 1.00 0.00 H new ATOM 797 N ALA A 63 7.451 10.677 7.802 1.00 0.00 N ATOM 798 CA ALA A 63 6.775 9.681 8.608 1.00 0.00 C ATOM 799 C ALA A 63 7.476 8.338 8.462 1.00 0.00 C ATOM 800 O ALA A 63 8.308 8.163 7.575 1.00 0.00 O ATOM 801 CB ALA A 63 5.316 9.580 8.172 1.00 0.00 C ATOM 0 H ALA A 63 7.496 10.453 6.808 1.00 0.00 H new ATOM 0 HA ALA A 63 6.807 9.973 9.658 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.806 8.831 8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.829 10.546 8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.269 9.291 7.122 1.00 0.00 H new ATOM 807 N SER A 64 7.137 7.387 9.336 1.00 0.00 N ATOM 808 CA SER A 64 7.733 6.067 9.298 1.00 0.00 C ATOM 809 C SER A 64 6.731 5.033 9.791 1.00 0.00 C ATOM 810 O SER A 64 6.110 5.216 10.835 1.00 0.00 O ATOM 811 CB SER A 64 8.992 6.054 10.160 1.00 0.00 C ATOM 812 OG SER A 64 9.618 7.316 10.096 1.00 0.00 O ATOM 0 H SER A 64 6.449 7.516 10.078 1.00 0.00 H new ATOM 0 HA SER A 64 8.007 5.817 8.273 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.737 5.815 11.192 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.675 5.279 9.813 1.00 0.00 H new ATOM 0 HG SER A 64 10.426 7.309 10.651 1.00 0.00 H new ATOM 818 N THR A 65 6.575 3.943 9.036 1.00 0.00 N ATOM 819 CA THR A 65 5.652 2.888 9.404 1.00 0.00 C ATOM 820 C THR A 65 6.039 1.593 8.705 1.00 0.00 C ATOM 821 O THR A 65 6.717 1.615 7.680 1.00 0.00 O ATOM 822 CB THR A 65 4.233 3.302 9.027 1.00 0.00 C ATOM 823 OG1 THR A 65 3.454 3.427 10.196 1.00 0.00 O ATOM 824 CG2 THR A 65 3.618 2.242 8.117 1.00 0.00 C ATOM 0 H THR A 65 7.081 3.776 8.166 1.00 0.00 H new ATOM 0 HA THR A 65 5.696 2.722 10.480 1.00 0.00 H new ATOM 0 HB THR A 65 4.260 4.258 8.504 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.923 3.996 10.842 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.604 2.538 7.848 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.220 2.145 7.213 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.590 1.286 8.639 1.00 0.00 H new ATOM 832 N SER A 66 5.606 0.460 9.263 1.00 0.00 N ATOM 833 CA SER A 66 5.907 -0.837 8.692 1.00 0.00 C ATOM 834 C SER A 66 4.619 -1.521 8.255 1.00 0.00 C ATOM 835 O SER A 66 3.695 -1.674 9.050 1.00 0.00 O ATOM 836 CB SER A 66 6.648 -1.685 9.720 1.00 0.00 C ATOM 837 OG SER A 66 6.987 -0.886 10.832 1.00 0.00 O ATOM 0 H SER A 66 5.044 0.424 10.113 1.00 0.00 H new ATOM 0 HA SER A 66 6.544 -0.713 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.024 -2.521 10.036 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.548 -2.110 9.276 1.00 0.00 H new ATOM 0 HG SER A 66 7.462 -1.431 11.494 1.00 0.00 H new ATOM 843 N LEU A 67 4.561 -1.934 6.987 1.00 0.00 N ATOM 844 CA LEU A 67 3.390 -2.600 6.452 1.00 0.00 C ATOM 845 C LEU A 67 3.596 -4.107 6.479 1.00 0.00 C ATOM 846 O LEU A 67 4.730 -4.582 6.479 1.00 0.00 O ATOM 847 CB LEU A 67 3.137 -2.114 5.027 1.00 0.00 C ATOM 848 CG LEU A 67 1.634 -2.074 4.764 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.295 -0.838 3.937 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.218 -3.328 4.000 1.00 0.00 C ATOM 0 H LEU A 67 5.319 -1.814 6.315 1.00 0.00 H new ATOM 0 HA LEU A 67 2.520 -2.362 7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.568 -1.123 4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.625 -2.777 4.313 1.00 0.00 H new ATOM 0 HG LEU A 67 1.100 -2.033 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.222 -0.809 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.592 0.058 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.829 -0.878 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.145 -3.300 3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.752 -3.370 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.460 -4.211 4.591 1.00 0.00 H new ATOM 862 N THR A 68 2.495 -4.862 6.501 1.00 0.00 N ATOM 863 CA THR A 68 2.564 -6.309 6.527 1.00 0.00 C ATOM 864 C THR A 68 2.395 -6.862 5.119 1.00 0.00 C ATOM 865 O THR A 68 1.395 -6.590 4.458 1.00 0.00 O ATOM 866 CB THR A 68 1.481 -6.852 7.455 1.00 0.00 C ATOM 867 OG1 THR A 68 1.145 -8.166 7.066 1.00 0.00 O ATOM 868 CG2 THR A 68 0.243 -5.964 7.368 1.00 0.00 C ATOM 0 H THR A 68 1.547 -4.486 6.501 1.00 0.00 H new ATOM 0 HA THR A 68 3.538 -6.623 6.903 1.00 0.00 H new ATOM 0 HB THR A 68 1.851 -6.859 8.480 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.859 -8.677 7.852 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.530 -6.352 8.031 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.502 -4.948 7.668 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.128 -5.956 6.343 1.00 0.00 H new ATOM 876 N VAL A 69 3.377 -7.641 4.661 1.00 0.00 N ATOM 877 CA VAL A 69 3.334 -8.228 3.337 1.00 0.00 C ATOM 878 C VAL A 69 2.394 -9.426 3.336 1.00 0.00 C ATOM 879 O VAL A 69 2.508 -10.307 4.184 1.00 0.00 O ATOM 880 CB VAL A 69 4.741 -8.645 2.920 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.752 -10.132 2.579 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.167 -7.839 1.696 1.00 0.00 C ATOM 0 H VAL A 69 4.212 -7.876 5.197 1.00 0.00 H new ATOM 0 HA VAL A 69 2.960 -7.496 2.622 1.00 0.00 H new ATOM 0 HB VAL A 69 5.434 -8.456 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.757 -10.430 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.447 -10.708 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.059 -10.322 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.172 -8.136 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.474 -8.028 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.160 -6.777 1.939 1.00 0.00 H new ATOM 892 N ARG A 70 1.464 -9.455 2.378 1.00 0.00 N ATOM 893 CA ARG A 70 0.510 -10.541 2.272 1.00 0.00 C ATOM 894 C ARG A 70 0.598 -11.170 0.889 1.00 0.00 C ATOM 895 O ARG A 70 0.880 -10.483 -0.091 1.00 0.00 O ATOM 896 CB ARG A 70 -0.896 -10.010 2.535 1.00 0.00 C ATOM 897 CG ARG A 70 -0.831 -8.894 3.575 1.00 0.00 C ATOM 898 CD ARG A 70 0.005 -9.355 4.765 1.00 0.00 C ATOM 899 NE ARG A 70 -0.752 -9.250 6.012 1.00 0.00 N ATOM 900 CZ ARG A 70 -1.599 -10.200 6.430 1.00 0.00 C ATOM 901 NH1 ARG A 70 -1.779 -11.307 5.696 1.00 0.00 N ATOM 902 NH2 ARG A 70 -2.265 -10.045 7.582 1.00 0.00 N ATOM 0 H ARG A 70 1.358 -8.732 1.666 1.00 0.00 H new ATOM 0 HA ARG A 70 0.740 -11.306 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.334 -9.635 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.540 -10.815 2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.394 -7.998 3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.836 -8.630 3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.321 -10.387 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.910 -8.751 4.833 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.630 -8.417 6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.271 -11.426 4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.424 -12.031 6.014 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.127 -9.203 8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.910 -10.769 7.900 1.00 0.00 H new ATOM 916 N ARG A 71 0.356 -12.480 0.811 1.00 0.00 N ATOM 917 CA ARG A 71 0.409 -13.194 -0.449 1.00 0.00 C ATOM 918 C ARG A 71 -0.976 -13.237 -1.077 1.00 0.00 C ATOM 919 O ARG A 71 -1.109 -13.451 -2.280 1.00 0.00 O ATOM 920 CB ARG A 71 0.938 -14.606 -0.211 1.00 0.00 C ATOM 921 CG ARG A 71 2.414 -14.668 -0.595 1.00 0.00 C ATOM 922 CD ARG A 71 2.939 -16.083 -0.371 1.00 0.00 C ATOM 923 NE ARG A 71 3.999 -16.408 -1.325 1.00 0.00 N ATOM 924 CZ ARG A 71 4.610 -17.600 -1.354 1.00 0.00 C ATOM 925 NH1 ARG A 71 4.256 -18.556 -0.484 1.00 0.00 N ATOM 926 NH2 ARG A 71 5.576 -17.837 -2.252 1.00 0.00 N ATOM 0 H ARG A 71 0.121 -13.063 1.614 1.00 0.00 H new ATOM 0 HA ARG A 71 1.081 -12.678 -1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.812 -14.881 0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.367 -15.324 -0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.541 -14.382 -1.639 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.986 -13.958 0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.320 -16.176 0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.122 -16.798 -0.473 1.00 0.00 H new ATOM 0 HE ARG A 71 4.285 -15.696 -1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.521 -18.376 0.200 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.721 -19.463 -0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.847 -17.110 -2.914 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.041 -18.745 -2.274 1.00 0.00 H new ATOM 940 N SER A 72 -2.011 -13.032 -0.258 1.00 0.00 N ATOM 941 CA SER A 72 -3.378 -13.047 -0.738 1.00 0.00 C ATOM 942 C SER A 72 -4.321 -12.615 0.376 1.00 0.00 C ATOM 943 O SER A 72 -4.014 -12.787 1.554 1.00 0.00 O ATOM 944 CB SER A 72 -3.729 -14.448 -1.230 1.00 0.00 C ATOM 945 OG SER A 72 -3.917 -15.301 -0.123 1.00 0.00 O ATOM 0 H SER A 72 -1.918 -12.854 0.742 1.00 0.00 H new ATOM 0 HA SER A 72 -3.483 -12.348 -1.568 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.634 -14.416 -1.836 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.932 -14.832 -1.867 1.00 0.00 H new ATOM 0 HG SER A 72 -4.144 -16.201 -0.438 1.00 0.00 H new ATOM 951 N PHE A 73 -5.473 -12.053 0.002 1.00 0.00 N ATOM 952 CA PHE A 73 -6.452 -11.602 0.970 1.00 0.00 C ATOM 953 C PHE A 73 -7.676 -11.053 0.250 1.00 0.00 C ATOM 954 O PHE A 73 -7.715 -11.025 -0.978 1.00 0.00 O ATOM 955 CB PHE A 73 -5.827 -10.536 1.865 1.00 0.00 C ATOM 956 CG PHE A 73 -4.984 -9.535 1.112 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.492 -8.914 -0.036 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.695 -9.226 1.563 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.711 -7.985 -0.733 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.914 -8.296 0.866 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.422 -7.676 -0.282 1.00 0.00 C ATOM 0 H PHE A 73 -5.743 -11.903 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.767 -12.440 1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.620 -10.007 2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.210 -11.023 2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.487 -9.152 -0.383 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.303 -9.705 2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.103 -7.507 -1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.920 -8.057 1.214 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.819 -6.959 -0.820 1.00 0.00 H new ATOM 971 N GLU A 74 -8.676 -10.615 1.018 1.00 0.00 N ATOM 972 CA GLU A 74 -9.892 -10.070 0.448 1.00 0.00 C ATOM 973 C GLU A 74 -9.597 -8.738 -0.227 1.00 0.00 C ATOM 974 O GLU A 74 -9.177 -7.786 0.428 1.00 0.00 O ATOM 975 CB GLU A 74 -10.936 -9.899 1.548 1.00 0.00 C ATOM 976 CG GLU A 74 -10.279 -9.289 2.783 1.00 0.00 C ATOM 977 CD GLU A 74 -10.034 -10.348 3.848 1.00 0.00 C ATOM 978 OE1 GLU A 74 -9.002 -11.043 3.731 1.00 0.00 O ATOM 979 OE2 GLU A 74 -10.884 -10.443 4.759 1.00 0.00 O ATOM 0 H GLU A 74 -8.659 -10.631 2.038 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.283 -10.755 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.745 -9.258 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.378 -10.863 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.334 -8.823 2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.916 -8.502 3.187 1.00 0.00 H new ATOM 986 N GLY A 75 -9.818 -8.671 -1.542 1.00 0.00 N ATOM 987 CA GLY A 75 -9.575 -7.456 -2.294 1.00 0.00 C ATOM 988 C GLY A 75 -10.730 -6.481 -2.109 1.00 0.00 C ATOM 989 O GLY A 75 -11.685 -6.493 -2.883 1.00 0.00 O ATOM 0 H GLY A 75 -10.165 -9.450 -2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.644 -6.995 -1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.455 -7.692 -3.351 1.00 0.00 H new ATOM 993 N PHE A 76 -10.640 -5.635 -1.080 1.00 0.00 N ATOM 994 CA PHE A 76 -11.676 -4.661 -0.801 1.00 0.00 C ATOM 995 C PHE A 76 -11.467 -3.424 -1.664 1.00 0.00 C ATOM 996 O PHE A 76 -10.596 -2.606 -1.378 1.00 0.00 O ATOM 997 CB PHE A 76 -11.646 -4.299 0.681 1.00 0.00 C ATOM 998 CG PHE A 76 -11.773 -2.817 0.942 1.00 0.00 C ATOM 999 CD1 PHE A 76 -12.780 -2.079 0.309 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -10.883 -2.181 1.815 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -12.897 -0.705 0.549 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -10.999 -0.807 2.055 1.00 0.00 C ATOM 1003 CZ PHE A 76 -12.006 -0.069 1.422 1.00 0.00 C ATOM 0 H PHE A 76 -9.855 -5.612 -0.430 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.652 -5.084 -1.038 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.456 -4.820 1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.713 -4.658 1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.467 -2.570 -0.365 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.106 -2.751 2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.674 -0.136 0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.312 -0.316 2.728 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.096 0.991 1.607 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.271 -3.289 -2.722 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.171 -2.155 -3.619 1.00 0.00 C ATOM 1015 C LEU A 77 -12.370 -0.862 -2.841 1.00 0.00 C ATOM 1016 O LEU A 77 -13.322 -0.737 -2.073 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.216 -2.288 -4.723 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.632 -0.899 -5.198 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.437 -0.203 -5.846 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.760 -1.027 -6.217 1.00 0.00 C ATOM 0 H LEU A 77 -12.999 -3.959 -2.972 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.181 -2.133 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.810 -2.863 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.084 -2.833 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.976 -0.312 -4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.734 0.789 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.631 -0.111 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.092 -0.790 -6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.058 -0.035 -6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.416 -1.614 -7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.613 -1.523 -5.755 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.468 0.101 -3.040 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.551 1.377 -2.357 1.00 0.00 C ATOM 1034 C PHE A 78 -12.967 1.926 -2.460 1.00 0.00 C ATOM 1035 O PHE A 78 -13.458 2.559 -1.528 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.548 2.348 -2.973 1.00 0.00 C ATOM 1037 CG PHE A 78 -10.742 2.557 -4.456 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -11.781 3.374 -4.917 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.886 1.931 -5.369 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -11.964 3.566 -6.291 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -10.068 2.123 -6.744 1.00 0.00 C ATOM 1042 CZ PHE A 78 -11.107 2.940 -7.205 1.00 0.00 C ATOM 0 H PHE A 78 -10.672 0.013 -3.672 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.310 1.246 -1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.627 3.309 -2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -9.539 1.976 -2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.442 3.856 -4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.085 1.300 -5.013 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.766 4.197 -6.646 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.407 1.641 -7.449 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.248 3.088 -8.266 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.623 1.683 -3.597 1.00 0.00 N ATOM 1053 CA ASP A 79 -14.976 2.154 -3.814 1.00 0.00 C ATOM 1054 C ASP A 79 -15.889 1.621 -2.720 1.00 0.00 C ATOM 1055 O ASP A 79 -16.987 2.135 -2.521 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.456 1.700 -5.190 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.305 2.776 -5.852 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.480 3.835 -5.211 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -16.762 2.520 -6.987 1.00 0.00 O ATOM 0 H ASP A 79 -13.230 1.160 -4.379 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.997 3.243 -3.777 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -14.598 1.469 -5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.036 0.782 -5.093 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.433 0.587 -2.009 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.215 -0.006 -0.942 1.00 0.00 C ATOM 1066 C GLY A 80 -16.934 -1.250 -1.443 1.00 0.00 C ATOM 1067 O GLY A 80 -17.997 -1.603 -0.936 1.00 0.00 O ATOM 0 H GLY A 80 -14.524 0.149 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.565 -0.265 -0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.941 0.717 -0.569 1.00 0.00 H new ATOM 1071 N THR A 81 -16.351 -1.917 -2.442 1.00 0.00 N ATOM 1072 CA THR A 81 -16.940 -3.116 -3.003 1.00 0.00 C ATOM 1073 C THR A 81 -16.008 -4.300 -2.790 1.00 0.00 C ATOM 1074 O THR A 81 -14.789 -4.147 -2.819 1.00 0.00 O ATOM 1075 CB THR A 81 -17.212 -2.901 -4.489 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.495 -2.342 -4.656 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.141 -4.240 -5.218 1.00 0.00 C ATOM 0 H THR A 81 -15.470 -1.639 -2.874 1.00 0.00 H new ATOM 0 HA THR A 81 -17.884 -3.330 -2.502 1.00 0.00 H new ATOM 0 HB THR A 81 -16.464 -2.223 -4.901 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.669 -2.202 -5.610 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.335 -4.087 -6.280 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.149 -4.672 -5.089 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.888 -4.918 -4.806 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.586 -5.484 -2.577 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.808 -6.687 -2.360 1.00 0.00 C ATOM 1087 C ARG A 82 -15.369 -7.265 -3.698 1.00 0.00 C ATOM 1088 O ARG A 82 -16.131 -7.978 -4.348 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.643 -7.699 -1.582 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.949 -7.961 -2.327 1.00 0.00 C ATOM 1091 CD ARG A 82 -19.126 -7.522 -1.461 1.00 0.00 C ATOM 1092 NE ARG A 82 -20.320 -8.313 -1.758 1.00 0.00 N ATOM 1093 CZ ARG A 82 -21.340 -8.439 -0.898 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -21.292 -7.825 0.292 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -22.407 -9.179 -1.227 1.00 0.00 N ATOM 0 H ARG A 82 -17.596 -5.627 -2.552 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.917 -6.449 -1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.088 -8.629 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.852 -7.321 -0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.956 -7.418 -3.272 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.036 -9.020 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.867 -7.630 -0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -19.334 -6.466 -1.632 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.379 -8.789 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -20.479 -7.262 0.543 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -22.068 -7.921 0.947 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -22.443 -9.647 -2.133 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -23.183 -9.274 -0.572 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.137 -6.957 -4.110 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.608 -7.451 -5.366 1.00 0.00 C ATOM 1111 C TRP A 83 -13.491 -8.967 -5.318 1.00 0.00 C ATOM 1112 O TRP A 83 -14.070 -9.664 -6.149 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.249 -6.811 -5.630 1.00 0.00 C ATOM 1114 CG TRP A 83 -11.785 -6.881 -7.050 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.921 -5.897 -7.965 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -11.113 -7.978 -7.741 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.383 -6.306 -9.167 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -10.869 -7.584 -9.085 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -10.683 -9.264 -7.370 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -10.236 -8.419 -10.010 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -10.047 -10.110 -8.291 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -9.822 -9.692 -9.608 1.00 0.00 C ATOM 0 H TRP A 83 -13.492 -6.366 -3.585 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.284 -7.186 -6.179 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.292 -5.764 -5.328 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.506 -7.295 -4.996 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.381 -4.937 -7.783 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -11.367 -5.735 -10.012 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -10.845 -9.607 -6.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -10.069 -8.085 -11.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -9.728 -11.094 -7.981 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -9.331 -10.350 -10.310 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.738 -9.480 -4.342 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.552 -10.909 -4.195 1.00 0.00 C ATOM 1135 C GLY A 84 -11.153 -11.208 -3.675 1.00 0.00 C ATOM 1136 O GLY A 84 -10.257 -10.373 -3.780 1.00 0.00 O ATOM 0 H GLY A 84 -12.250 -8.918 -3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.297 -11.311 -3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.704 -11.403 -5.155 1.00 0.00 H new ATOM 1140 N THR A 85 -10.966 -12.404 -3.112 1.00 0.00 N ATOM 1141 CA THR A 85 -9.678 -12.803 -2.581 1.00 0.00 C ATOM 1142 C THR A 85 -8.607 -12.658 -3.652 1.00 0.00 C ATOM 1143 O THR A 85 -8.533 -13.468 -4.574 1.00 0.00 O ATOM 1144 CB THR A 85 -9.757 -14.245 -2.088 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.079 -14.535 -1.692 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.819 -14.429 -0.899 1.00 0.00 C ATOM 0 H THR A 85 -11.697 -13.108 -3.016 1.00 0.00 H new ATOM 0 HA THR A 85 -9.413 -12.159 -1.743 1.00 0.00 H new ATOM 0 HB THR A 85 -9.462 -14.920 -2.892 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.130 -15.462 -1.377 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.876 -15.459 -0.547 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.797 -14.205 -1.204 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.114 -13.754 -0.095 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.776 -11.620 -3.529 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.715 -11.372 -4.484 1.00 0.00 C ATOM 1156 C VAL A 86 -5.508 -12.237 -4.148 1.00 0.00 C ATOM 1157 O VAL A 86 -5.319 -12.621 -2.996 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.344 -9.892 -4.459 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -4.908 -9.719 -4.945 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.287 -9.117 -5.375 1.00 0.00 C ATOM 0 H VAL A 86 -7.825 -10.940 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.055 -11.630 -5.487 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.431 -9.512 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.643 -8.662 -4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.234 -10.273 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.820 -10.098 -5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.023 -8.060 -5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.199 -9.497 -6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.313 -9.240 -5.029 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.691 -12.543 -5.159 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.510 -13.359 -4.965 1.00 0.00 C ATOM 1172 C ASP A 87 -2.269 -12.573 -5.366 1.00 0.00 C ATOM 1173 O ASP A 87 -1.923 -12.516 -6.543 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.633 -14.635 -5.794 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.237 -15.763 -4.969 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -3.853 -15.867 -3.784 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -5.070 -16.499 -5.539 1.00 0.00 O ATOM 0 H ASP A 87 -4.834 -12.232 -6.120 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.420 -13.631 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.255 -14.446 -6.669 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.650 -14.932 -6.159 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.601 -11.967 -4.382 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.405 -11.189 -4.635 1.00 0.00 C ATOM 1184 C CYS A 88 0.592 -12.021 -5.429 1.00 0.00 C ATOM 1185 O CYS A 88 1.430 -11.475 -6.142 1.00 0.00 O ATOM 1186 CB CYS A 88 0.200 -10.740 -3.308 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.626 -9.309 -2.570 1.00 0.00 S ATOM 0 H CYS A 88 -1.877 -12.006 -3.401 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.658 -10.305 -5.220 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.163 -11.571 -2.604 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.252 -10.500 -3.463 1.00 0.00 H new ATOM 1192 N THR A 89 0.500 -13.347 -5.304 1.00 0.00 N ATOM 1193 CA THR A 89 1.394 -14.242 -6.011 1.00 0.00 C ATOM 1194 C THR A 89 0.935 -14.401 -7.454 1.00 0.00 C ATOM 1195 O THR A 89 1.542 -15.142 -8.223 1.00 0.00 O ATOM 1196 CB THR A 89 1.425 -15.593 -5.302 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.116 -16.113 -5.225 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.985 -15.416 -3.894 1.00 0.00 C ATOM 0 H THR A 89 -0.189 -13.817 -4.717 1.00 0.00 H new ATOM 0 HA THR A 89 2.401 -13.825 -6.016 1.00 0.00 H new ATOM 0 HB THR A 89 2.058 -16.282 -5.861 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.135 -16.981 -4.771 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.007 -16.381 -3.387 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.996 -15.013 -3.953 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.352 -14.727 -3.335 1.00 0.00 H new ATOM 1206 N THR A 90 -0.142 -13.701 -7.820 1.00 0.00 N ATOM 1207 CA THR A 90 -0.672 -13.769 -9.166 1.00 0.00 C ATOM 1208 C THR A 90 -0.584 -12.402 -9.828 1.00 0.00 C ATOM 1209 O THR A 90 -0.486 -12.305 -11.050 1.00 0.00 O ATOM 1210 CB THR A 90 -2.118 -14.255 -9.118 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.161 -15.632 -9.419 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.948 -13.484 -10.141 1.00 0.00 C ATOM 0 H THR A 90 -0.658 -13.082 -7.195 1.00 0.00 H new ATOM 0 HA THR A 90 -0.085 -14.473 -9.756 1.00 0.00 H new ATOM 0 HB THR A 90 -2.525 -14.088 -8.121 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.089 -15.945 -9.387 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.981 -13.831 -10.107 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.915 -12.420 -9.909 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.542 -13.650 -11.139 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.620 -11.342 -9.017 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.545 -9.987 -9.525 1.00 0.00 C ATOM 1222 C ALA A 91 0.438 -9.178 -8.693 1.00 0.00 C ATOM 1223 O ALA A 91 1.069 -9.710 -7.782 1.00 0.00 O ATOM 1224 CB ALA A 91 -1.933 -9.355 -9.490 1.00 0.00 C ATOM 0 H ALA A 91 -0.701 -11.406 -8.002 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.192 -9.999 -10.556 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.878 -8.336 -9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.614 -9.938 -10.109 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.300 -9.339 -8.464 1.00 0.00 H new ATOM 1230 N ALA A 92 0.568 -7.887 -9.007 1.00 0.00 N ATOM 1231 CA ALA A 92 1.473 -7.012 -8.289 1.00 0.00 C ATOM 1232 C ALA A 92 0.693 -6.173 -7.287 1.00 0.00 C ATOM 1233 O ALA A 92 -0.276 -5.511 -7.650 1.00 0.00 O ATOM 1234 CB ALA A 92 2.212 -6.120 -9.282 1.00 0.00 C ATOM 0 H ALA A 92 0.051 -7.431 -9.759 1.00 0.00 H new ATOM 0 HA ALA A 92 2.204 -7.608 -7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.893 -5.461 -8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.780 -6.740 -9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.492 -5.520 -9.838 1.00 0.00 H new ATOM 1240 N CYS A 93 1.118 -6.204 -6.021 1.00 0.00 N ATOM 1241 CA CYS A 93 0.459 -5.449 -4.974 1.00 0.00 C ATOM 1242 C CYS A 93 1.294 -4.227 -4.618 1.00 0.00 C ATOM 1243 O CYS A 93 2.470 -4.153 -4.968 1.00 0.00 O ATOM 1244 CB CYS A 93 0.259 -6.343 -3.754 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.436 -7.969 -4.139 1.00 0.00 S ATOM 0 H CYS A 93 1.920 -6.749 -5.704 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.516 -5.109 -5.322 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.218 -6.478 -3.254 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.399 -5.836 -3.049 1.00 0.00 H new ATOM 1250 N GLN A 94 0.683 -3.268 -3.919 1.00 0.00 N ATOM 1251 CA GLN A 94 1.372 -2.057 -3.521 1.00 0.00 C ATOM 1252 C GLN A 94 0.711 -1.470 -2.282 1.00 0.00 C ATOM 1253 O GLN A 94 -0.492 -1.625 -2.085 1.00 0.00 O ATOM 1254 CB GLN A 94 1.345 -1.056 -4.673 1.00 0.00 C ATOM 1255 CG GLN A 94 0.291 0.011 -4.397 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.141 0.694 -5.686 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.697 1.158 -6.456 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.454 0.756 -5.920 1.00 0.00 N ATOM 0 H GLN A 94 -0.291 -3.315 -3.620 1.00 0.00 H new ATOM 0 HA GLN A 94 2.410 -2.287 -3.280 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.325 -0.593 -4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.122 -1.569 -5.609 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.574 -0.443 -3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.690 0.752 -3.704 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.111 0.356 -5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.800 1.203 -6.769 1.00 0.00 H new ATOM 1267 N VAL A 95 1.502 -0.793 -1.445 1.00 0.00 N ATOM 1268 CA VAL A 95 0.992 -0.187 -0.232 1.00 0.00 C ATOM 1269 C VAL A 95 0.864 1.317 -0.423 1.00 0.00 C ATOM 1270 O VAL A 95 1.408 1.873 -1.375 1.00 0.00 O ATOM 1271 CB VAL A 95 1.928 -0.508 0.929 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.713 0.503 2.051 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.633 -1.913 1.447 1.00 0.00 C ATOM 0 H VAL A 95 2.502 -0.656 -1.595 1.00 0.00 H new ATOM 0 HA VAL A 95 0.005 -0.590 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 95 2.962 -0.456 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.382 0.274 2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.924 1.507 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.679 0.452 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.302 -2.143 2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.599 -1.965 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.787 -2.636 0.646 1.00 0.00 H new ATOM 1283 N GLY A 96 0.143 1.978 0.486 1.00 0.00 N ATOM 1284 CA GLY A 96 -0.048 3.413 0.409 1.00 0.00 C ATOM 1285 C GLY A 96 -0.758 3.918 1.657 1.00 0.00 C ATOM 1286 O GLY A 96 -1.235 3.126 2.467 1.00 0.00 O ATOM 0 H GLY A 96 -0.315 1.534 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.916 3.910 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.633 3.662 -0.477 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.828 5.242 1.811 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.477 5.847 2.957 1.00 0.00 C ATOM 1292 C LEU A 97 -2.879 6.301 2.576 1.00 0.00 C ATOM 1293 O LEU A 97 -3.194 6.425 1.395 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.643 7.025 3.451 1.00 0.00 C ATOM 1295 CG LEU A 97 0.306 6.552 4.548 1.00 0.00 C ATOM 1296 CD1 LEU A 97 1.515 5.869 3.916 1.00 0.00 C ATOM 1297 CD2 LEU A 97 0.770 7.751 5.371 1.00 0.00 C ATOM 0 H LEU A 97 -0.438 5.912 1.148 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.559 5.115 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.076 7.455 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.295 7.811 3.833 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.212 5.845 5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.193 5.531 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.183 5.013 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.034 6.575 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.448 7.414 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.288 8.459 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.094 8.238 5.823 1.00 0.00 H new ATOM 1309 N SER A 98 -3.722 6.549 3.581 1.00 0.00 N ATOM 1310 CA SER A 98 -5.082 6.989 3.347 1.00 0.00 C ATOM 1311 C SER A 98 -5.570 7.814 4.529 1.00 0.00 C ATOM 1312 O SER A 98 -5.793 7.279 5.613 1.00 0.00 O ATOM 1313 CB SER A 98 -5.978 5.772 3.129 1.00 0.00 C ATOM 1314 OG SER A 98 -5.180 4.616 3.016 1.00 0.00 O ATOM 0 H SER A 98 -3.477 6.449 4.566 1.00 0.00 H new ATOM 0 HA SER A 98 -5.117 7.615 2.455 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.675 5.666 3.961 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.576 5.904 2.227 1.00 0.00 H new ATOM 0 HG SER A 98 -5.691 3.908 2.572 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.736 9.121 4.318 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.196 10.012 5.364 1.00 0.00 C ATOM 1322 C ASP A 99 -7.652 10.382 5.123 1.00 0.00 C ATOM 1323 O ASP A 99 -8.370 9.664 4.430 1.00 0.00 O ATOM 1324 CB ASP A 99 -5.318 11.260 5.391 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.777 12.270 4.348 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.885 11.862 3.172 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -6.011 13.431 4.747 1.00 0.00 O ATOM 0 H ASP A 99 -5.556 9.580 3.425 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.124 9.512 6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.353 11.713 6.382 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.280 10.984 5.204 1.00 0.00 H new ATOM 1332 N ALA A 100 -8.088 11.506 5.696 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.454 11.964 5.541 1.00 0.00 C ATOM 1334 C ALA A 100 -9.816 12.017 4.064 1.00 0.00 C ATOM 1335 O ALA A 100 -10.900 11.589 3.673 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.605 13.339 6.185 1.00 0.00 C ATOM 0 H ALA A 100 -7.505 12.112 6.273 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.133 11.269 6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.632 13.684 6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.362 13.273 7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.929 14.044 5.701 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.904 12.543 3.243 1.00 0.00 N ATOM 1343 CA ALA A 101 -9.132 12.650 1.816 1.00 0.00 C ATOM 1344 C ALA A 101 -8.740 11.348 1.132 1.00 0.00 C ATOM 1345 O ALA A 101 -9.260 11.023 0.067 1.00 0.00 O ATOM 1346 CB ALA A 101 -8.323 13.818 1.259 1.00 0.00 C ATOM 0 H ALA A 101 -8.000 12.900 3.552 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.189 12.833 1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.494 13.900 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.634 14.742 1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.263 13.648 1.446 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.820 10.601 1.747 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.367 9.342 1.191 1.00 0.00 C ATOM 1354 C GLY A 102 -6.156 9.565 0.296 1.00 0.00 C ATOM 1355 O GLY A 102 -6.147 9.140 -0.857 1.00 0.00 O ATOM 0 H GLY A 102 -7.379 10.854 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.111 8.652 1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.171 8.879 0.618 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.133 10.236 0.830 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.925 10.511 0.077 1.00 0.00 C ATOM 1361 C ASN A 103 -2.776 9.669 0.615 1.00 0.00 C ATOM 1362 O ASN A 103 -2.975 8.825 1.486 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.597 11.998 0.172 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.019 12.563 1.520 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.714 13.575 1.581 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.599 11.905 2.604 1.00 0.00 N ATOM 0 H ASN A 103 -5.125 10.596 1.784 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.078 10.251 -0.970 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.527 12.148 0.029 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.104 12.538 -0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.854 12.238 3.534 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.023 11.069 2.502 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.569 9.902 0.094 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.399 9.164 0.526 1.00 0.00 C ATOM 1375 C GLY A 104 0.794 9.503 -0.356 1.00 0.00 C ATOM 1376 O GLY A 104 0.675 10.293 -1.290 1.00 0.00 O ATOM 0 H GLY A 104 -1.385 10.599 -0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.172 9.404 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.599 8.093 0.483 1.00 0.00 H new ATOM 1380 N PRO A 105 1.948 8.902 -0.058 1.00 0.00 N ATOM 1381 CA PRO A 105 3.184 9.100 -0.785 1.00 0.00 C ATOM 1382 C PRO A 105 3.094 8.413 -2.140 1.00 0.00 C ATOM 1383 O PRO A 105 2.265 7.527 -2.336 1.00 0.00 O ATOM 1384 CB PRO A 105 4.259 8.455 0.086 1.00 0.00 C ATOM 1385 CG PRO A 105 3.495 7.338 0.795 1.00 0.00 C ATOM 1386 CD PRO A 105 2.124 7.968 1.033 1.00 0.00 C ATOM 0 HA PRO A 105 3.401 10.151 -0.975 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.083 8.065 -0.511 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.686 9.165 0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.427 6.440 0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.976 7.049 1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.338 7.213 1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.084 8.475 1.997 1.00 0.00 H new ATOM 1394 N GLU A 106 3.951 8.823 -3.078 1.00 0.00 N ATOM 1395 CA GLU A 106 3.962 8.244 -4.407 1.00 0.00 C ATOM 1396 C GLU A 106 3.580 6.773 -4.335 1.00 0.00 C ATOM 1397 O GLU A 106 4.157 6.016 -3.557 1.00 0.00 O ATOM 1398 CB GLU A 106 5.347 8.414 -5.023 1.00 0.00 C ATOM 1399 CG GLU A 106 5.209 8.933 -6.451 1.00 0.00 C ATOM 1400 CD GLU A 106 5.749 7.920 -7.451 1.00 0.00 C ATOM 1401 OE1 GLU A 106 6.826 7.357 -7.163 1.00 0.00 O ATOM 1402 OE2 GLU A 106 5.073 7.729 -8.486 1.00 0.00 O ATOM 0 H GLU A 106 4.645 9.556 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 106 3.233 8.756 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.939 9.110 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.877 7.462 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.161 9.141 -6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.748 9.875 -6.554 1.00 0.00 H new ATOM 1409 N GLY A 107 2.604 6.367 -5.151 1.00 0.00 N ATOM 1410 CA GLY A 107 2.154 4.989 -5.173 1.00 0.00 C ATOM 1411 C GLY A 107 3.316 4.050 -4.881 1.00 0.00 C ATOM 1412 O GLY A 107 4.381 4.171 -5.482 1.00 0.00 O ATOM 0 H GLY A 107 2.115 6.980 -5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.366 4.845 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.724 4.755 -6.147 1.00 0.00 H new ATOM 1416 N VAL A 108 3.109 3.113 -3.953 1.00 0.00 N ATOM 1417 CA VAL A 108 4.136 2.159 -3.586 1.00 0.00 C ATOM 1418 C VAL A 108 3.892 0.838 -4.300 1.00 0.00 C ATOM 1419 O VAL A 108 3.036 0.057 -3.890 1.00 0.00 O ATOM 1420 CB VAL A 108 4.131 1.965 -2.072 1.00 0.00 C ATOM 1421 CG1 VAL A 108 4.970 0.743 -1.713 1.00 0.00 C ATOM 1422 CG2 VAL A 108 4.720 3.202 -1.399 1.00 0.00 C ATOM 0 H VAL A 108 2.232 3.002 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 108 5.113 2.536 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 108 3.107 1.817 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.967 0.604 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.550 -0.141 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.994 0.891 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.717 3.064 -0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.744 3.351 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.121 4.076 -1.655 1.00 0.00 H new ATOM 1432 N ALA A 109 4.648 0.589 -5.373 1.00 0.00 N ATOM 1433 CA ALA A 109 4.509 -0.634 -6.138 1.00 0.00 C ATOM 1434 C ALA A 109 5.242 -1.768 -5.434 1.00 0.00 C ATOM 1435 O ALA A 109 6.329 -1.567 -4.896 1.00 0.00 O ATOM 1436 CB ALA A 109 5.065 -0.420 -7.542 1.00 0.00 C ATOM 0 H ALA A 109 5.362 1.226 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 109 3.455 -0.902 -6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.961 -1.339 -8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.513 0.381 -8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.119 -0.149 -7.479 1.00 0.00 H new ATOM 1442 N ILE A 110 4.645 -2.962 -5.441 1.00 0.00 N ATOM 1443 CA ILE A 110 5.241 -4.120 -4.807 1.00 0.00 C ATOM 1444 C ILE A 110 4.874 -5.377 -5.583 1.00 0.00 C ATOM 1445 O ILE A 110 4.292 -5.295 -6.662 1.00 0.00 O ATOM 1446 CB ILE A 110 4.757 -4.215 -3.362 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.241 -4.045 -3.321 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.415 -3.115 -2.533 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.667 -4.878 -2.178 1.00 0.00 C ATOM 0 H ILE A 110 3.744 -3.143 -5.884 1.00 0.00 H new ATOM 0 HA ILE A 110 6.326 -4.021 -4.806 1.00 0.00 H new ATOM 0 HB ILE A 110 5.024 -5.189 -2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.986 -2.994 -3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.803 -4.358 -4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.070 -3.182 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.498 -3.236 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.147 -2.141 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.584 -4.757 -2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.911 -5.929 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.096 -4.544 -1.233 1.00 0.00 H new ATOM 1461 N SER A 111 5.217 -6.544 -5.031 1.00 0.00 N ATOM 1462 CA SER A 111 4.921 -7.808 -5.673 1.00 0.00 C ATOM 1463 C SER A 111 5.290 -8.958 -4.746 1.00 0.00 C ATOM 1464 O SER A 111 5.829 -8.736 -3.664 1.00 0.00 O ATOM 1465 CB SER A 111 5.693 -7.904 -6.986 1.00 0.00 C ATOM 1466 OG SER A 111 4.827 -7.620 -8.062 1.00 0.00 O ATOM 0 H SER A 111 5.701 -6.630 -4.137 1.00 0.00 H new ATOM 0 HA SER A 111 3.854 -7.869 -5.888 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.527 -7.203 -6.982 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.116 -8.902 -7.099 1.00 0.00 H new ATOM 0 HG SER A 111 4.426 -6.735 -7.934 1.00 0.00 H new ATOM 1472 N PHE A 112 4.999 -10.189 -5.173 1.00 0.00 N ATOM 1473 CA PHE A 112 5.303 -11.363 -4.380 1.00 0.00 C ATOM 1474 C PHE A 112 5.560 -12.552 -5.295 1.00 0.00 C ATOM 1475 O PHE A 112 4.627 -13.108 -5.869 1.00 0.00 O ATOM 1476 CB PHE A 112 4.142 -11.649 -3.432 1.00 0.00 C ATOM 1477 CG PHE A 112 3.470 -10.403 -2.908 1.00 0.00 C ATOM 1478 CD1 PHE A 112 2.761 -9.569 -3.781 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.553 -10.082 -1.548 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.136 -8.415 -3.294 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.929 -8.928 -1.061 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.220 -8.094 -1.934 1.00 0.00 C ATOM 0 H PHE A 112 4.552 -10.390 -6.068 1.00 0.00 H new ATOM 0 HA PHE A 112 6.202 -11.186 -3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.403 -12.260 -3.950 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.508 -12.236 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.696 -9.816 -4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.099 -10.725 -0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.589 -7.772 -3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.994 -8.681 -0.012 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.738 -7.203 -1.558 1.00 0.00 H new ATOM 1492 N ASN A 113 6.830 -12.941 -5.429 1.00 0.00 N ATOM 1493 CA ASN A 113 7.200 -14.060 -6.272 1.00 0.00 C ATOM 1494 C ASN A 113 8.706 -14.273 -6.220 1.00 0.00 C ATOM 1495 O ASN A 113 9.207 -15.298 -6.678 1.00 0.00 O ATOM 1496 CB ASN A 113 6.740 -13.792 -7.702 1.00 0.00 C ATOM 1497 CG ASN A 113 7.143 -12.394 -8.149 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.248 -12.195 -8.649 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.243 -11.425 -7.968 1.00 0.00 N ATOM 0 H ASN A 113 7.615 -12.490 -4.959 1.00 0.00 H new ATOM 0 HA ASN A 113 6.714 -14.967 -5.911 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.175 -14.532 -8.373 1.00 0.00 H new ATOM 0 HB3 ASN A 113 5.657 -13.901 -7.766 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.460 -10.469 -8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.339 -11.641 -7.548 1.00 0.00 H new TER 1506 ASN A 113