USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 828 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 33 THR OG1 : rot 18:sc= 1 USER MOD Set 1.2: A 59 TYR OH : rot -141:sc= 1.12 USER MOD Set 2.1: A 9 CYS SG : rot 115:sc= -2.22 USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.262 K(o=-2,f=-2.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -163:sc= 1.21 USER MOD Single : A 8 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0.0146 (180deg=0.00927) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0212) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 61 SER OG : rot 139:sc= -0.121 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= 0.158 (180deg=0.0836) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0438 X(o=-0.044,f=-0.018) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.799 0.428 22.430 1.00 0.00 N ATOM 2 CA GLY A 1 -1.240 1.766 22.354 1.00 0.00 C ATOM 3 C GLY A 1 -1.680 2.508 21.108 1.00 0.00 C ATOM 4 O GLY A 1 -2.526 3.400 21.175 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.468 -0.037 23.299 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.837 0.486 22.442 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.492 -0.124 21.604 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.540 2.332 23.236 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.152 1.703 22.371 1.00 0.00 H new ATOM 8 N SER A 2 -1.103 2.141 19.968 1.00 0.00 N ATOM 9 CA SER A 2 -1.437 2.783 18.702 1.00 0.00 C ATOM 10 C SER A 2 -1.810 1.744 17.648 1.00 0.00 C ATOM 11 O SER A 2 -1.496 0.562 17.788 1.00 0.00 O ATOM 12 CB SER A 2 -0.260 3.627 18.208 1.00 0.00 C ATOM 13 OG SER A 2 -0.239 4.893 18.843 1.00 0.00 O ATOM 0 H SER A 2 -0.403 1.403 19.895 1.00 0.00 H new ATOM 0 HA SER A 2 -2.297 3.432 18.868 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.675 3.103 18.404 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.331 3.759 17.128 1.00 0.00 H new ATOM 0 HG SER A 2 0.523 5.413 18.512 1.00 0.00 H new ATOM 19 N SER A 3 -2.481 2.195 16.593 1.00 0.00 N ATOM 20 CA SER A 3 -2.901 1.306 15.517 1.00 0.00 C ATOM 21 C SER A 3 -2.526 1.884 14.156 1.00 0.00 C ATOM 22 O SER A 3 -1.817 1.252 13.374 1.00 0.00 O ATOM 23 CB SER A 3 -4.410 1.067 15.584 1.00 0.00 C ATOM 24 OG SER A 3 -4.769 0.399 16.781 1.00 0.00 O ATOM 0 H SER A 3 -2.745 3.171 16.461 1.00 0.00 H new ATOM 0 HA SER A 3 -2.384 0.355 15.643 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.935 2.020 15.525 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.726 0.475 14.725 1.00 0.00 H new ATOM 0 HG SER A 3 -5.739 0.260 16.800 1.00 0.00 H new ATOM 30 N GLY A 4 -3.007 3.093 13.881 1.00 0.00 N ATOM 31 CA GLY A 4 -2.712 3.738 12.615 1.00 0.00 C ATOM 32 C GLY A 4 -2.692 5.250 12.725 1.00 0.00 C ATOM 33 O GLY A 4 -3.473 5.835 13.476 1.00 0.00 O ATOM 0 H GLY A 4 -3.595 3.637 14.512 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.745 3.391 12.250 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.457 3.440 11.877 1.00 0.00 H new ATOM 37 N SER A 5 -1.795 5.884 11.977 1.00 0.00 N ATOM 38 CA SER A 5 -1.673 7.337 11.998 1.00 0.00 C ATOM 39 C SER A 5 -2.235 7.949 10.718 1.00 0.00 C ATOM 40 O SER A 5 -2.073 7.396 9.630 1.00 0.00 O ATOM 41 CB SER A 5 -0.208 7.744 12.171 1.00 0.00 C ATOM 42 OG SER A 5 -0.100 9.090 12.600 1.00 0.00 O ATOM 0 H SER A 5 -1.142 5.415 11.349 1.00 0.00 H new ATOM 0 HA SER A 5 -2.250 7.713 12.843 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.272 7.088 12.897 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.322 7.616 11.227 1.00 0.00 H new ATOM 0 HG SER A 5 0.846 9.325 12.705 1.00 0.00 H new ATOM 48 N SER A 6 -2.896 9.093 10.857 1.00 0.00 N ATOM 49 CA SER A 6 -3.486 9.779 9.714 1.00 0.00 C ATOM 50 C SER A 6 -2.407 10.224 8.731 1.00 0.00 C ATOM 51 O SER A 6 -2.472 9.920 7.541 1.00 0.00 O ATOM 52 CB SER A 6 -4.296 10.990 10.181 1.00 0.00 C ATOM 53 OG SER A 6 -5.120 11.484 9.139 1.00 0.00 O ATOM 0 H SER A 6 -3.037 9.565 11.750 1.00 0.00 H new ATOM 0 HA SER A 6 -4.151 9.080 9.206 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.913 10.712 11.036 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.620 11.776 10.518 1.00 0.00 H new ATOM 0 HG SER A 6 -5.411 12.394 9.356 1.00 0.00 H new ATOM 59 N GLY A 7 -1.413 10.946 9.240 1.00 0.00 N ATOM 60 CA GLY A 7 -0.334 11.422 8.394 1.00 0.00 C ATOM 61 C GLY A 7 0.167 10.356 7.439 1.00 0.00 C ATOM 62 O GLY A 7 0.073 10.511 6.222 1.00 0.00 O ATOM 0 H GLY A 7 -1.336 11.210 10.222 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.678 12.285 7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.491 11.762 9.020 1.00 0.00 H new ATOM 66 N ASN A 8 0.702 9.273 7.992 1.00 0.00 N ATOM 67 CA ASN A 8 1.222 8.178 7.180 1.00 0.00 C ATOM 68 C ASN A 8 0.093 7.459 6.449 1.00 0.00 C ATOM 69 O ASN A 8 -0.948 7.160 7.035 1.00 0.00 O ATOM 70 CB ASN A 8 1.990 7.186 8.056 1.00 0.00 C ATOM 71 CG ASN A 8 3.224 7.805 8.685 1.00 0.00 C ATOM 72 OD1 ASN A 8 3.373 9.026 8.715 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.116 6.961 9.191 1.00 0.00 N ATOM 0 H ASN A 8 0.787 9.130 8.998 1.00 0.00 H new ATOM 0 HA ASN A 8 1.901 8.599 6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.332 6.815 8.842 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.285 6.326 7.454 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.966 7.318 9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.951 5.956 9.144 1.00 0.00 H new ATOM 80 N CYS A 9 0.306 7.186 5.166 1.00 0.00 N ATOM 81 CA CYS A 9 -0.694 6.502 4.354 1.00 0.00 C ATOM 82 C CYS A 9 -0.087 5.294 3.647 1.00 0.00 C ATOM 83 O CYS A 9 0.994 5.382 3.064 1.00 0.00 O ATOM 84 CB CYS A 9 -1.289 7.464 3.325 1.00 0.00 C ATOM 85 SG CYS A 9 -2.982 7.061 2.831 1.00 0.00 S ATOM 0 H CYS A 9 1.162 7.428 4.666 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.487 6.152 5.016 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.272 8.474 3.735 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.655 7.469 2.439 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.785 8.005 3.224 1.00 0.00 H new ATOM 91 N ARG A 10 -0.788 4.167 3.706 1.00 0.00 N ATOM 92 CA ARG A 10 -0.317 2.940 3.074 1.00 0.00 C ATOM 93 C ARG A 10 -1.485 2.135 2.511 1.00 0.00 C ATOM 94 O ARG A 10 -2.533 2.014 3.147 1.00 0.00 O ATOM 95 CB ARG A 10 0.463 2.091 4.079 1.00 0.00 C ATOM 96 CG ARG A 10 1.951 2.403 4.115 1.00 0.00 C ATOM 97 CD ARG A 10 2.596 1.896 5.395 1.00 0.00 C ATOM 98 NE ARG A 10 2.094 2.595 6.575 1.00 0.00 N ATOM 99 CZ ARG A 10 2.681 2.543 7.765 1.00 0.00 C ATOM 100 NH1 ARG A 10 3.785 1.828 7.933 1.00 0.00 N ATOM 101 NH2 ARG A 10 2.164 3.207 8.791 1.00 0.00 N ATOM 0 H ARG A 10 -1.684 4.078 4.185 1.00 0.00 H new ATOM 0 HA ARG A 10 0.343 3.215 2.251 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.044 2.244 5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.327 1.037 3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.440 1.947 3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.100 3.480 4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.406 0.828 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.677 2.023 5.331 1.00 0.00 H new ATOM 0 HE ARG A 10 1.246 3.154 6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.186 1.316 7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.234 1.790 8.848 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.315 3.758 8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.616 3.166 9.705 1.00 0.00 H new ATOM 115 N LEU A 11 -1.297 1.588 1.315 1.00 0.00 N ATOM 116 CA LEU A 11 -2.335 0.795 0.665 1.00 0.00 C ATOM 117 C LEU A 11 -2.087 -0.696 0.867 1.00 0.00 C ATOM 118 O LEU A 11 -0.948 -1.160 0.814 1.00 0.00 O ATOM 119 CB LEU A 11 -2.390 1.117 -0.829 1.00 0.00 C ATOM 120 CG LEU A 11 -2.902 2.510 -1.198 1.00 0.00 C ATOM 121 CD1 LEU A 11 -3.081 2.632 -2.703 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.209 2.805 -0.477 1.00 0.00 C ATOM 0 H LEU A 11 -0.436 1.679 0.776 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.292 1.050 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.388 0.999 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.025 0.378 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.162 3.244 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.446 3.630 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.124 2.465 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.801 1.889 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.559 3.800 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.957 2.066 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.048 2.761 0.600 1.00 0.00 H new ATOM 134 N PHE A 12 -3.162 -1.443 1.097 1.00 0.00 N ATOM 135 CA PHE A 12 -3.061 -2.883 1.305 1.00 0.00 C ATOM 136 C PHE A 12 -3.134 -3.631 -0.022 1.00 0.00 C ATOM 137 O PHE A 12 -4.205 -3.765 -0.614 1.00 0.00 O ATOM 138 CB PHE A 12 -4.177 -3.364 2.236 1.00 0.00 C ATOM 139 CG PHE A 12 -4.091 -4.826 2.569 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.631 -5.777 1.718 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.469 -5.250 3.732 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.554 -7.123 2.022 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.389 -6.595 4.042 1.00 0.00 C ATOM 144 CZ PHE A 12 -3.931 -7.532 3.185 1.00 0.00 C ATOM 0 H PHE A 12 -4.112 -1.075 1.144 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.096 -3.091 1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.143 -2.786 3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.141 -3.162 1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.118 -5.463 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.041 -4.521 4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.980 -7.854 1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.903 -6.912 4.953 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.868 -8.583 3.424 1.00 0.00 H new ATOM 154 N ILE A 13 -1.986 -4.117 -0.484 1.00 0.00 N ATOM 155 CA ILE A 13 -1.919 -4.852 -1.741 1.00 0.00 C ATOM 156 C ILE A 13 -1.822 -6.353 -1.496 1.00 0.00 C ATOM 157 O ILE A 13 -0.869 -6.832 -0.882 1.00 0.00 O ATOM 158 CB ILE A 13 -0.716 -4.403 -2.592 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.556 -2.883 -2.526 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.886 -4.861 -4.033 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.782 -2.125 -2.984 1.00 0.00 C ATOM 0 H ILE A 13 -1.090 -4.015 -0.007 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.839 -4.634 -2.283 1.00 0.00 H new ATOM 0 HB ILE A 13 0.187 -4.862 -2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.323 -2.595 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.294 -2.588 -3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.028 -4.536 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.956 -5.948 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.796 -4.427 -4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.596 -1.054 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.004 -2.384 -4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.631 -2.390 -2.353 1.00 0.00 H new ATOM 173 N GLY A 14 -2.814 -7.093 -1.981 1.00 0.00 N ATOM 174 CA GLY A 14 -2.821 -8.533 -1.805 1.00 0.00 C ATOM 175 C GLY A 14 -2.935 -9.277 -3.121 1.00 0.00 C ATOM 176 O GLY A 14 -3.612 -8.823 -4.042 1.00 0.00 O ATOM 0 H GLY A 14 -3.614 -6.720 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.906 -8.838 -1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.653 -8.813 -1.159 1.00 0.00 H new ATOM 180 N GLY A 15 -2.268 -10.424 -3.211 1.00 0.00 N ATOM 181 CA GLY A 15 -2.309 -11.213 -4.428 1.00 0.00 C ATOM 182 C GLY A 15 -1.072 -11.024 -5.284 1.00 0.00 C ATOM 183 O GLY A 15 -1.159 -10.987 -6.512 1.00 0.00 O ATOM 0 H GLY A 15 -1.700 -10.821 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.411 -12.267 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.192 -10.939 -5.005 1.00 0.00 H new ATOM 187 N ILE A 16 0.081 -10.902 -4.635 1.00 0.00 N ATOM 188 CA ILE A 16 1.340 -10.714 -5.345 1.00 0.00 C ATOM 189 C ILE A 16 2.301 -11.867 -5.074 1.00 0.00 C ATOM 190 O ILE A 16 2.265 -12.503 -4.020 1.00 0.00 O ATOM 191 CB ILE A 16 2.019 -9.390 -4.948 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.338 -9.385 -3.451 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.130 -8.210 -5.310 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.371 -8.352 -3.058 1.00 0.00 C ATOM 0 H ILE A 16 0.169 -10.930 -3.619 1.00 0.00 H new ATOM 0 HA ILE A 16 1.101 -10.685 -6.408 1.00 0.00 H new ATOM 0 HB ILE A 16 2.954 -9.298 -5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.420 -9.200 -2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.695 -10.373 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.623 -7.281 -5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.948 -8.208 -6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.180 -8.294 -4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.548 -8.405 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.302 -8.548 -3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.008 -7.357 -3.317 1.00 0.00 H new ATOM 206 N PRO A 17 3.183 -12.143 -6.046 1.00 0.00 N ATOM 207 CA PRO A 17 4.173 -13.219 -5.934 1.00 0.00 C ATOM 208 C PRO A 17 5.255 -12.907 -4.906 1.00 0.00 C ATOM 209 O PRO A 17 5.848 -11.828 -4.921 1.00 0.00 O ATOM 210 CB PRO A 17 4.776 -13.293 -7.339 1.00 0.00 C ATOM 211 CG PRO A 17 4.573 -11.933 -7.911 1.00 0.00 C ATOM 212 CD PRO A 17 3.283 -11.427 -7.328 1.00 0.00 C ATOM 0 HA PRO A 17 3.723 -14.153 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.834 -13.553 -7.302 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.281 -14.054 -7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.402 -11.274 -7.654 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.521 -11.971 -8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.304 -10.347 -7.184 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.435 -11.646 -7.978 1.00 0.00 H new ATOM 220 N LYS A 18 5.508 -13.858 -4.013 1.00 0.00 N ATOM 221 CA LYS A 18 6.521 -13.686 -2.978 1.00 0.00 C ATOM 222 C LYS A 18 7.910 -13.555 -3.593 1.00 0.00 C ATOM 223 O LYS A 18 8.659 -12.634 -3.266 1.00 0.00 O ATOM 224 CB LYS A 18 6.491 -14.867 -2.006 1.00 0.00 C ATOM 225 CG LYS A 18 5.124 -15.113 -1.389 1.00 0.00 C ATOM 226 CD LYS A 18 4.925 -16.578 -1.040 1.00 0.00 C ATOM 227 CE LYS A 18 3.451 -16.919 -0.884 1.00 0.00 C ATOM 228 NZ LYS A 18 3.183 -18.358 -1.159 1.00 0.00 N ATOM 0 H LYS A 18 5.025 -14.756 -3.985 1.00 0.00 H new ATOM 0 HA LYS A 18 6.297 -12.769 -2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.811 -15.767 -2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.213 -14.689 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.015 -14.506 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.347 -14.795 -2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.363 -17.201 -1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.453 -16.807 -0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.127 -16.676 0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.862 -16.303 -1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.168 -18.551 -1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.469 -18.584 -2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.725 -18.945 -0.494 1.00 0.00 H new ATOM 242 N MET A 19 8.248 -14.481 -4.484 1.00 0.00 N ATOM 243 CA MET A 19 9.547 -14.466 -5.146 1.00 0.00 C ATOM 244 C MET A 19 10.019 -13.035 -5.386 1.00 0.00 C ATOM 245 O MET A 19 11.204 -12.730 -5.249 1.00 0.00 O ATOM 246 CB MET A 19 9.475 -15.221 -6.475 1.00 0.00 C ATOM 247 CG MET A 19 8.232 -14.902 -7.288 1.00 0.00 C ATOM 248 SD MET A 19 7.829 -16.197 -8.478 1.00 0.00 S ATOM 249 CE MET A 19 6.827 -17.285 -7.468 1.00 0.00 C ATOM 0 H MET A 19 7.641 -15.251 -4.764 1.00 0.00 H new ATOM 0 HA MET A 19 10.265 -14.962 -4.493 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.358 -14.982 -7.068 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.505 -16.292 -6.277 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.388 -14.759 -6.613 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.380 -13.961 -7.817 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.500 -18.137 -8.064 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.415 -17.639 -6.621 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.955 -16.742 -7.103 1.00 0.00 H new ATOM 259 N LYS A 20 9.085 -12.161 -5.746 1.00 0.00 N ATOM 260 CA LYS A 20 9.404 -10.762 -6.004 1.00 0.00 C ATOM 261 C LYS A 20 10.001 -10.103 -4.765 1.00 0.00 C ATOM 262 O LYS A 20 9.998 -10.681 -3.678 1.00 0.00 O ATOM 263 CB LYS A 20 8.150 -10.004 -6.444 1.00 0.00 C ATOM 264 CG LYS A 20 7.854 -10.129 -7.929 1.00 0.00 C ATOM 265 CD LYS A 20 8.001 -11.563 -8.409 1.00 0.00 C ATOM 266 CE LYS A 20 7.457 -11.737 -9.818 1.00 0.00 C ATOM 267 NZ LYS A 20 7.830 -13.058 -10.397 1.00 0.00 N ATOM 0 H LYS A 20 8.100 -12.397 -5.866 1.00 0.00 H new ATOM 0 HA LYS A 20 10.142 -10.725 -6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.295 -10.374 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.266 -8.950 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.841 -9.779 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.531 -9.485 -8.491 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.052 -11.850 -8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.473 -12.231 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.371 -11.641 -9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.839 -10.940 -10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.398 -13.159 -11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.865 -13.120 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.488 -13.818 -9.776 1.00 0.00 H new ATOM 281 N LYS A 21 10.511 -8.888 -4.934 1.00 0.00 N ATOM 282 CA LYS A 21 11.109 -8.147 -3.830 1.00 0.00 C ATOM 283 C LYS A 21 10.553 -6.728 -3.762 1.00 0.00 C ATOM 284 O LYS A 21 10.175 -6.150 -4.781 1.00 0.00 O ATOM 285 CB LYS A 21 12.631 -8.103 -3.983 1.00 0.00 C ATOM 286 CG LYS A 21 13.300 -9.453 -3.793 1.00 0.00 C ATOM 287 CD LYS A 21 13.332 -10.246 -5.089 1.00 0.00 C ATOM 288 CE LYS A 21 14.480 -9.805 -5.984 1.00 0.00 C ATOM 289 NZ LYS A 21 14.853 -10.859 -6.968 1.00 0.00 N ATOM 0 H LYS A 21 10.522 -8.395 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 21 10.858 -8.661 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.877 -7.721 -4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.040 -7.399 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.317 -9.308 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.766 -10.021 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.431 -11.308 -4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.387 -10.119 -5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.198 -8.896 -6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.346 -9.559 -5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.639 -10.520 -7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.147 -11.719 -6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.034 -11.076 -7.572 1.00 0.00 H new ATOM 303 N ARG A 22 10.506 -6.172 -2.556 1.00 0.00 N ATOM 304 CA ARG A 22 9.997 -4.821 -2.356 1.00 0.00 C ATOM 305 C ARG A 22 10.457 -3.895 -3.478 1.00 0.00 C ATOM 306 O ARG A 22 9.683 -3.082 -3.981 1.00 0.00 O ATOM 307 CB ARG A 22 10.461 -4.273 -1.005 1.00 0.00 C ATOM 308 CG ARG A 22 11.966 -4.081 -0.911 1.00 0.00 C ATOM 309 CD ARG A 22 12.430 -4.027 0.536 1.00 0.00 C ATOM 310 NE ARG A 22 13.849 -4.347 0.668 1.00 0.00 N ATOM 311 CZ ARG A 22 14.566 -4.076 1.753 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.999 -3.485 2.795 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.853 -4.398 1.797 1.00 0.00 N ATOM 0 H ARG A 22 10.815 -6.637 -1.702 1.00 0.00 H new ATOM 0 HA ARG A 22 8.908 -4.865 -2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.969 -3.318 -0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.140 -4.954 -0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.471 -4.898 -1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.249 -3.160 -1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.244 -3.032 0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.844 -4.727 1.131 1.00 0.00 H new ATOM 0 HE ARG A 22 14.315 -4.804 -0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.010 -3.237 2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.552 -3.278 3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.292 -4.854 0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.403 -4.189 2.631 1.00 0.00 H new ATOM 327 N GLU A 23 11.722 -4.026 -3.865 1.00 0.00 N ATOM 328 CA GLU A 23 12.285 -3.199 -4.927 1.00 0.00 C ATOM 329 C GLU A 23 11.443 -3.297 -6.196 1.00 0.00 C ATOM 330 O GLU A 23 11.053 -2.283 -6.773 1.00 0.00 O ATOM 331 CB GLU A 23 13.725 -3.622 -5.223 1.00 0.00 C ATOM 332 CG GLU A 23 13.846 -5.037 -5.763 1.00 0.00 C ATOM 333 CD GLU A 23 15.287 -5.466 -5.957 1.00 0.00 C ATOM 334 OE1 GLU A 23 15.851 -5.179 -7.034 1.00 0.00 O ATOM 335 OE2 GLU A 23 15.851 -6.090 -5.034 1.00 0.00 O ATOM 0 H GLU A 23 12.376 -4.696 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 23 12.281 -2.163 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.157 -2.929 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.314 -3.539 -4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.355 -5.727 -5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.319 -5.105 -6.715 1.00 0.00 H new ATOM 342 N GLU A 24 11.169 -4.526 -6.624 1.00 0.00 N ATOM 343 CA GLU A 24 10.375 -4.756 -7.825 1.00 0.00 C ATOM 344 C GLU A 24 8.963 -4.203 -7.658 1.00 0.00 C ATOM 345 O GLU A 24 8.455 -3.494 -8.528 1.00 0.00 O ATOM 346 CB GLU A 24 10.316 -6.251 -8.145 1.00 0.00 C ATOM 347 CG GLU A 24 11.606 -6.800 -8.729 1.00 0.00 C ATOM 348 CD GLU A 24 12.504 -7.422 -7.676 1.00 0.00 C ATOM 349 OE1 GLU A 24 12.016 -8.278 -6.909 1.00 0.00 O ATOM 350 OE2 GLU A 24 13.696 -7.052 -7.620 1.00 0.00 O ATOM 0 H GLU A 24 11.485 -5.376 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 24 10.855 -4.234 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.077 -6.800 -7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.503 -6.432 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.369 -7.547 -9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.144 -5.996 -9.232 1.00 0.00 H new ATOM 357 N ILE A 25 8.334 -4.533 -6.536 1.00 0.00 N ATOM 358 CA ILE A 25 6.980 -4.071 -6.254 1.00 0.00 C ATOM 359 C ILE A 25 6.884 -2.553 -6.369 1.00 0.00 C ATOM 360 O ILE A 25 6.075 -2.028 -7.135 1.00 0.00 O ATOM 361 CB ILE A 25 6.520 -4.498 -4.848 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.410 -6.022 -4.765 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.189 -3.846 -4.505 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.680 -6.573 -3.383 1.00 0.00 C ATOM 0 H ILE A 25 8.740 -5.119 -5.806 1.00 0.00 H new ATOM 0 HA ILE A 25 6.328 -4.532 -6.995 1.00 0.00 H new ATOM 0 HB ILE A 25 7.262 -4.166 -4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.411 -6.324 -5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.113 -6.468 -5.469 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.877 -4.158 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.298 -2.762 -4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.436 -4.151 -5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.584 -7.659 -3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.690 -6.302 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.961 -6.156 -2.678 1.00 0.00 H new ATOM 376 N LEU A 26 7.714 -1.853 -5.603 1.00 0.00 N ATOM 377 CA LEU A 26 7.724 -0.395 -5.620 1.00 0.00 C ATOM 378 C LEU A 26 7.654 0.134 -7.049 1.00 0.00 C ATOM 379 O LEU A 26 6.750 0.893 -7.396 1.00 0.00 O ATOM 380 CB LEU A 26 8.982 0.134 -4.929 1.00 0.00 C ATOM 381 CG LEU A 26 9.311 1.608 -5.169 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.600 2.486 -4.151 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.814 1.835 -5.115 1.00 0.00 C ATOM 0 H LEU A 26 8.388 -2.272 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 26 6.845 -0.044 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.876 -0.024 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.831 -0.465 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 26 8.959 1.882 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.846 3.531 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.523 2.345 -4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.921 2.211 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.029 2.889 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.191 1.544 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.300 1.235 -5.884 1.00 0.00 H new ATOM 395 N GLU A 27 8.614 -0.274 -7.873 1.00 0.00 N ATOM 396 CA GLU A 27 8.660 0.159 -9.265 1.00 0.00 C ATOM 397 C GLU A 27 7.316 -0.070 -9.950 1.00 0.00 C ATOM 398 O GLU A 27 6.723 0.857 -10.500 1.00 0.00 O ATOM 399 CB GLU A 27 9.763 -0.589 -10.018 1.00 0.00 C ATOM 400 CG GLU A 27 10.372 0.212 -11.157 1.00 0.00 C ATOM 401 CD GLU A 27 10.957 -0.670 -12.243 1.00 0.00 C ATOM 402 OE1 GLU A 27 11.478 -1.754 -11.908 1.00 0.00 O ATOM 403 OE2 GLU A 27 10.893 -0.276 -13.426 1.00 0.00 O ATOM 0 H GLU A 27 9.370 -0.903 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 27 8.879 1.227 -9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.550 -0.862 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.354 -1.518 -10.416 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.609 0.858 -11.591 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.153 0.862 -10.762 1.00 0.00 H new ATOM 410 N GLU A 28 6.843 -1.312 -9.912 1.00 0.00 N ATOM 411 CA GLU A 28 5.570 -1.663 -10.531 1.00 0.00 C ATOM 412 C GLU A 28 4.447 -0.772 -10.007 1.00 0.00 C ATOM 413 O GLU A 28 3.419 -0.600 -10.664 1.00 0.00 O ATOM 414 CB GLU A 28 5.236 -3.132 -10.264 1.00 0.00 C ATOM 415 CG GLU A 28 5.785 -4.081 -11.316 1.00 0.00 C ATOM 416 CD GLU A 28 7.181 -3.702 -11.772 1.00 0.00 C ATOM 417 OE1 GLU A 28 8.121 -3.812 -10.957 1.00 0.00 O ATOM 418 OE2 GLU A 28 7.333 -3.294 -12.942 1.00 0.00 O ATOM 0 H GLU A 28 7.322 -2.091 -9.460 1.00 0.00 H new ATOM 0 HA GLU A 28 5.663 -1.508 -11.606 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.633 -3.415 -9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.153 -3.246 -10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.801 -5.094 -10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.116 -4.090 -12.176 1.00 0.00 H new ATOM 425 N ILE A 29 4.651 -0.208 -8.821 1.00 0.00 N ATOM 426 CA ILE A 29 3.656 0.665 -8.210 1.00 0.00 C ATOM 427 C ILE A 29 3.842 2.110 -8.661 1.00 0.00 C ATOM 428 O ILE A 29 2.871 2.820 -8.918 1.00 0.00 O ATOM 429 CB ILE A 29 3.725 0.607 -6.673 1.00 0.00 C ATOM 430 CG1 ILE A 29 3.306 -0.778 -6.174 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.842 1.685 -6.062 1.00 0.00 C ATOM 432 CD1 ILE A 29 2.053 -1.306 -6.838 1.00 0.00 C ATOM 0 H ILE A 29 5.496 -0.340 -8.265 1.00 0.00 H new ATOM 0 HA ILE A 29 2.679 0.307 -8.536 1.00 0.00 H new ATOM 0 HB ILE A 29 4.754 0.789 -6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.122 -1.480 -6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.146 -0.734 -5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.901 1.631 -4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.181 2.666 -6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.810 1.532 -6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.816 -2.291 -6.436 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.224 -0.625 -6.644 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.216 -1.383 -7.913 1.00 0.00 H new ATOM 444 N ALA A 30 5.097 2.537 -8.757 1.00 0.00 N ATOM 445 CA ALA A 30 5.411 3.896 -9.181 1.00 0.00 C ATOM 446 C ALA A 30 4.776 4.210 -10.532 1.00 0.00 C ATOM 447 O ALA A 30 4.702 5.369 -10.941 1.00 0.00 O ATOM 448 CB ALA A 30 6.918 4.094 -9.246 1.00 0.00 C ATOM 0 H ALA A 30 5.913 1.962 -8.547 1.00 0.00 H new ATOM 0 HA ALA A 30 4.996 4.585 -8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.138 5.113 -9.564 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.351 3.920 -8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.347 3.391 -9.960 1.00 0.00 H new ATOM 454 N LYS A 31 4.318 3.171 -11.221 1.00 0.00 N ATOM 455 CA LYS A 31 3.688 3.335 -12.526 1.00 0.00 C ATOM 456 C LYS A 31 2.174 3.186 -12.422 1.00 0.00 C ATOM 457 O LYS A 31 1.422 4.031 -12.909 1.00 0.00 O ATOM 458 CB LYS A 31 4.245 2.309 -13.516 1.00 0.00 C ATOM 459 CG LYS A 31 4.518 0.950 -12.895 1.00 0.00 C ATOM 460 CD LYS A 31 5.129 -0.010 -13.902 1.00 0.00 C ATOM 461 CE LYS A 31 6.636 0.172 -14.002 1.00 0.00 C ATOM 462 NZ LYS A 31 7.211 -0.586 -15.147 1.00 0.00 N ATOM 0 H LYS A 31 4.371 2.205 -10.897 1.00 0.00 H new ATOM 0 HA LYS A 31 3.913 4.339 -12.887 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.539 2.188 -14.337 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.170 2.695 -13.945 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.192 1.066 -12.046 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.588 0.532 -12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.904 -1.036 -13.611 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.676 0.151 -14.880 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.867 1.231 -14.115 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.104 -0.159 -13.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.240 -0.436 -15.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.013 -1.600 -15.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.783 -0.252 -16.034 1.00 0.00 H new ATOM 476 N VAL A 32 1.732 2.108 -11.782 1.00 0.00 N ATOM 477 CA VAL A 32 0.307 1.851 -11.611 1.00 0.00 C ATOM 478 C VAL A 32 -0.344 2.920 -10.741 1.00 0.00 C ATOM 479 O VAL A 32 -1.529 3.221 -10.889 1.00 0.00 O ATOM 480 CB VAL A 32 0.058 0.468 -10.979 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.886 -0.597 -11.682 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.367 0.500 -9.490 1.00 0.00 C ATOM 0 H VAL A 32 2.340 1.399 -11.373 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.140 1.874 -12.605 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.995 0.215 -11.102 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.697 -1.567 -11.222 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.610 -0.635 -12.736 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.945 -0.353 -11.592 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.186 -0.485 -9.060 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.411 0.775 -9.341 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.274 1.233 -9.001 1.00 0.00 H new ATOM 492 N THR A 33 0.439 3.493 -9.831 1.00 0.00 N ATOM 493 CA THR A 33 -0.061 4.528 -8.936 1.00 0.00 C ATOM 494 C THR A 33 0.981 5.619 -8.721 1.00 0.00 C ATOM 495 O THR A 33 2.052 5.367 -8.170 1.00 0.00 O ATOM 496 CB THR A 33 -0.464 3.943 -7.569 1.00 0.00 C ATOM 497 OG1 THR A 33 0.699 3.483 -6.871 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.446 2.793 -7.741 1.00 0.00 C ATOM 0 H THR A 33 1.422 3.257 -9.695 1.00 0.00 H new ATOM 0 HA THR A 33 -0.942 4.959 -9.412 1.00 0.00 H new ATOM 0 HB THR A 33 -0.948 4.730 -6.990 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.499 3.891 -7.263 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.716 2.396 -6.763 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.342 3.152 -8.247 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.984 2.006 -8.337 1.00 0.00 H new ATOM 506 N GLU A 34 0.660 6.833 -9.159 1.00 0.00 N ATOM 507 CA GLU A 34 1.571 7.962 -9.014 1.00 0.00 C ATOM 508 C GLU A 34 1.373 8.651 -7.667 1.00 0.00 C ATOM 509 O GLU A 34 0.256 9.008 -7.298 1.00 0.00 O ATOM 510 CB GLU A 34 1.358 8.967 -10.149 1.00 0.00 C ATOM 511 CG GLU A 34 2.069 8.590 -11.438 1.00 0.00 C ATOM 512 CD GLU A 34 2.066 9.713 -12.456 1.00 0.00 C ATOM 513 OE1 GLU A 34 2.528 10.823 -12.117 1.00 0.00 O ATOM 514 OE2 GLU A 34 1.601 9.482 -13.592 1.00 0.00 O ATOM 0 H GLU A 34 -0.223 7.059 -9.617 1.00 0.00 H new ATOM 0 HA GLU A 34 2.591 7.581 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.290 9.058 -10.346 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.707 9.947 -9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.099 8.312 -11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.589 7.712 -11.870 1.00 0.00 H new ATOM 521 N GLY A 35 2.469 8.833 -6.936 1.00 0.00 N ATOM 522 CA GLY A 35 2.396 9.477 -5.637 1.00 0.00 C ATOM 523 C GLY A 35 2.883 8.580 -4.517 1.00 0.00 C ATOM 524 O GLY A 35 2.611 8.836 -3.344 1.00 0.00 O ATOM 0 H GLY A 35 3.406 8.546 -7.220 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.992 10.389 -5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.366 9.773 -5.439 1.00 0.00 H new ATOM 528 N VAL A 36 3.604 7.523 -4.878 1.00 0.00 N ATOM 529 CA VAL A 36 4.129 6.584 -3.894 1.00 0.00 C ATOM 530 C VAL A 36 5.459 7.068 -3.328 1.00 0.00 C ATOM 531 O VAL A 36 6.207 7.783 -3.995 1.00 0.00 O ATOM 532 CB VAL A 36 4.323 5.182 -4.504 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.226 4.883 -5.514 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.697 5.067 -5.147 1.00 0.00 C ATOM 0 H VAL A 36 3.838 7.296 -5.845 1.00 0.00 H new ATOM 0 HA VAL A 36 3.395 6.524 -3.090 1.00 0.00 H new ATOM 0 HB VAL A 36 4.258 4.444 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.379 3.889 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.256 4.922 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.256 5.623 -6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.817 4.071 -5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.793 5.813 -5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.467 5.235 -4.394 1.00 0.00 H new ATOM 544 N LEU A 37 5.747 6.674 -2.092 1.00 0.00 N ATOM 545 CA LEU A 37 6.989 7.068 -1.434 1.00 0.00 C ATOM 546 C LEU A 37 7.930 5.876 -1.290 1.00 0.00 C ATOM 547 O LEU A 37 9.102 5.950 -1.659 1.00 0.00 O ATOM 548 CB LEU A 37 6.692 7.667 -0.058 1.00 0.00 C ATOM 549 CG LEU A 37 7.675 8.727 0.438 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.779 9.869 -0.560 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.254 9.247 1.805 1.00 0.00 C ATOM 0 H LEU A 37 5.139 6.083 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 37 7.477 7.820 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.695 8.108 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.664 6.857 0.671 1.00 0.00 H new ATOM 0 HG LEU A 37 8.658 8.266 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.483 10.613 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.129 9.484 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.799 10.329 -0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.965 10.001 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.261 9.691 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.234 8.422 2.518 1.00 0.00 H new ATOM 563 N ASP A 38 7.408 4.779 -0.753 1.00 0.00 N ATOM 564 CA ASP A 38 8.201 3.569 -0.563 1.00 0.00 C ATOM 565 C ASP A 38 7.302 2.365 -0.301 1.00 0.00 C ATOM 566 O ASP A 38 6.128 2.516 0.039 1.00 0.00 O ATOM 567 CB ASP A 38 9.180 3.753 0.598 1.00 0.00 C ATOM 568 CG ASP A 38 10.453 2.950 0.415 1.00 0.00 C ATOM 569 OD1 ASP A 38 11.361 3.430 -0.296 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.541 1.841 0.982 1.00 0.00 O ATOM 0 H ASP A 38 6.440 4.702 -0.442 1.00 0.00 H new ATOM 0 HA ASP A 38 8.764 3.386 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.431 4.809 0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.696 3.455 1.528 1.00 0.00 H new ATOM 575 N VAL A 39 7.860 1.170 -0.463 1.00 0.00 N ATOM 576 CA VAL A 39 7.108 -0.060 -0.244 1.00 0.00 C ATOM 577 C VAL A 39 7.682 -0.854 0.925 1.00 0.00 C ATOM 578 O VAL A 39 8.889 -0.834 1.169 1.00 0.00 O ATOM 579 CB VAL A 39 7.107 -0.949 -1.502 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.730 -2.378 -1.146 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.161 -0.384 -2.551 1.00 0.00 C ATOM 0 H VAL A 39 8.830 1.027 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 39 6.083 0.232 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 39 8.113 -0.959 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.735 -2.991 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.450 -2.777 -0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.734 -2.392 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.172 -1.024 -3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.150 -0.343 -2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.482 0.620 -2.827 1.00 0.00 H new ATOM 591 N ILE A 40 6.809 -1.553 1.643 1.00 0.00 N ATOM 592 CA ILE A 40 7.230 -2.355 2.785 1.00 0.00 C ATOM 593 C ILE A 40 6.678 -3.773 2.693 1.00 0.00 C ATOM 594 O ILE A 40 5.505 -3.976 2.378 1.00 0.00 O ATOM 595 CB ILE A 40 6.774 -1.724 4.114 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.364 -0.321 4.267 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.180 -2.606 5.286 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.484 0.622 5.057 1.00 0.00 C ATOM 0 H ILE A 40 5.807 -1.580 1.454 1.00 0.00 H new ATOM 0 HA ILE A 40 8.319 -2.389 2.763 1.00 0.00 H new ATOM 0 HB ILE A 40 5.687 -1.641 4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.335 -0.395 4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.538 0.101 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.851 -2.147 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.716 -3.587 5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.264 -2.717 5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.965 1.598 5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.521 0.726 4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.330 0.222 6.059 1.00 0.00 H new ATOM 610 N VAL A 41 7.531 -4.754 2.972 1.00 0.00 N ATOM 611 CA VAL A 41 7.129 -6.154 2.924 1.00 0.00 C ATOM 612 C VAL A 41 7.580 -6.899 4.176 1.00 0.00 C ATOM 613 O VAL A 41 8.766 -7.178 4.351 1.00 0.00 O ATOM 614 CB VAL A 41 7.707 -6.862 1.684 1.00 0.00 C ATOM 615 CG1 VAL A 41 9.224 -6.928 1.764 1.00 0.00 C ATOM 616 CG2 VAL A 41 7.111 -8.254 1.539 1.00 0.00 C ATOM 0 H VAL A 41 8.505 -4.604 3.234 1.00 0.00 H new ATOM 0 HA VAL A 41 6.041 -6.168 2.868 1.00 0.00 H new ATOM 0 HB VAL A 41 7.439 -6.283 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.613 -7.432 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.630 -5.918 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.518 -7.482 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.531 -8.739 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.346 -8.844 2.425 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.029 -8.177 1.430 1.00 0.00 H new ATOM 626 N TYR A 42 6.626 -7.218 5.043 1.00 0.00 N ATOM 627 CA TYR A 42 6.925 -7.929 6.281 1.00 0.00 C ATOM 628 C TYR A 42 5.676 -8.608 6.834 1.00 0.00 C ATOM 629 O TYR A 42 4.554 -8.270 6.457 1.00 0.00 O ATOM 630 CB TYR A 42 7.498 -6.965 7.321 1.00 0.00 C ATOM 631 CG TYR A 42 6.445 -6.150 8.037 1.00 0.00 C ATOM 632 CD1 TYR A 42 5.567 -6.747 8.934 1.00 0.00 C ATOM 633 CD2 TYR A 42 6.328 -4.783 7.818 1.00 0.00 C ATOM 634 CE1 TYR A 42 4.603 -6.006 9.589 1.00 0.00 C ATOM 635 CE2 TYR A 42 5.368 -4.034 8.471 1.00 0.00 C ATOM 636 CZ TYR A 42 4.507 -4.650 9.355 1.00 0.00 C ATOM 637 OH TYR A 42 3.549 -3.909 10.007 1.00 0.00 O ATOM 0 H TYR A 42 5.639 -6.996 4.912 1.00 0.00 H new ATOM 0 HA TYR A 42 7.666 -8.697 6.060 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.067 -7.534 8.056 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.198 -6.288 6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.640 -7.808 9.122 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.999 -4.297 7.125 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.927 -6.486 10.281 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.292 -2.972 8.290 1.00 0.00 H new ATOM 0 HH TYR A 42 3.617 -2.971 9.731 1.00 0.00 H new ATOM 647 N ALA A 43 5.880 -9.567 7.731 1.00 0.00 N ATOM 648 CA ALA A 43 4.771 -10.293 8.339 1.00 0.00 C ATOM 649 C ALA A 43 5.246 -11.128 9.523 1.00 0.00 C ATOM 650 O ALA A 43 6.437 -11.162 9.834 1.00 0.00 O ATOM 651 CB ALA A 43 4.090 -11.178 7.306 1.00 0.00 C ATOM 0 H ALA A 43 6.803 -9.859 8.053 1.00 0.00 H new ATOM 0 HA ALA A 43 4.050 -9.564 8.708 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.264 -11.714 7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.708 -10.561 6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.809 -11.895 6.910 1.00 0.00 H new ATOM 657 N SER A 44 4.307 -11.800 10.182 1.00 0.00 N ATOM 658 CA SER A 44 4.629 -12.631 11.336 1.00 0.00 C ATOM 659 C SER A 44 5.984 -13.309 11.155 1.00 0.00 C ATOM 660 O SER A 44 6.869 -13.187 12.001 1.00 0.00 O ATOM 661 CB SER A 44 3.543 -13.687 11.549 1.00 0.00 C ATOM 662 OG SER A 44 3.940 -14.638 12.522 1.00 0.00 O ATOM 0 H SER A 44 3.317 -11.785 9.936 1.00 0.00 H new ATOM 0 HA SER A 44 4.678 -11.987 12.214 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.618 -13.204 11.864 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.333 -14.192 10.606 1.00 0.00 H new ATOM 0 HG SER A 44 3.228 -15.301 12.641 1.00 0.00 H new ATOM 668 N ALA A 45 6.137 -14.025 10.046 1.00 0.00 N ATOM 669 CA ALA A 45 7.384 -14.721 9.752 1.00 0.00 C ATOM 670 C ALA A 45 8.269 -13.895 8.825 1.00 0.00 C ATOM 671 O ALA A 45 9.273 -13.328 9.253 1.00 0.00 O ATOM 672 CB ALA A 45 7.096 -16.082 9.136 1.00 0.00 C ATOM 0 H ALA A 45 5.413 -14.138 9.336 1.00 0.00 H new ATOM 0 HA ALA A 45 7.921 -14.865 10.690 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.036 -16.591 8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.510 -16.681 9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.535 -15.951 8.211 1.00 0.00 H new ATOM 678 N ALA A 46 7.889 -13.833 7.553 1.00 0.00 N ATOM 679 CA ALA A 46 8.648 -13.075 6.566 1.00 0.00 C ATOM 680 C ALA A 46 7.910 -13.018 5.232 1.00 0.00 C ATOM 681 O ALA A 46 7.672 -14.046 4.599 1.00 0.00 O ATOM 682 CB ALA A 46 10.030 -13.684 6.381 1.00 0.00 C ATOM 0 H ALA A 46 7.061 -14.298 7.182 1.00 0.00 H new ATOM 0 HA ALA A 46 8.759 -12.055 6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.585 -13.108 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.565 -13.667 7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.931 -14.714 6.039 1.00 0.00 H new ATOM 688 N ASP A 47 7.551 -11.810 4.812 1.00 0.00 N ATOM 689 CA ASP A 47 6.841 -11.618 3.553 1.00 0.00 C ATOM 690 C ASP A 47 5.780 -12.698 3.358 1.00 0.00 C ATOM 691 O ASP A 47 5.472 -13.084 2.230 1.00 0.00 O ATOM 692 CB ASP A 47 7.823 -11.633 2.381 1.00 0.00 C ATOM 693 CG ASP A 47 8.704 -12.867 2.379 1.00 0.00 C ATOM 694 OD1 ASP A 47 9.640 -12.930 3.203 1.00 0.00 O ATOM 695 OD2 ASP A 47 8.455 -13.771 1.554 1.00 0.00 O ATOM 0 H ASP A 47 7.740 -10.949 5.325 1.00 0.00 H new ATOM 0 HA ASP A 47 6.345 -10.648 3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.267 -11.586 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.450 -10.743 2.425 1.00 0.00 H new ATOM 700 N LYS A 48 5.226 -13.182 4.464 1.00 0.00 N ATOM 701 CA LYS A 48 4.200 -14.217 4.416 1.00 0.00 C ATOM 702 C LYS A 48 4.591 -15.326 3.445 1.00 0.00 C ATOM 703 O LYS A 48 3.817 -15.691 2.561 1.00 0.00 O ATOM 704 CB LYS A 48 2.856 -13.613 4.003 1.00 0.00 C ATOM 705 CG LYS A 48 2.049 -13.070 5.170 1.00 0.00 C ATOM 706 CD LYS A 48 0.593 -12.858 4.790 1.00 0.00 C ATOM 707 CE LYS A 48 0.367 -11.475 4.199 1.00 0.00 C ATOM 708 NZ LYS A 48 -1.068 -11.081 4.242 1.00 0.00 N ATOM 0 H LYS A 48 5.470 -12.874 5.405 1.00 0.00 H new ATOM 0 HA LYS A 48 4.107 -14.648 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.033 -12.809 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.268 -14.373 3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.110 -13.763 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.480 -12.126 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.290 -13.617 4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.036 -12.986 5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.961 -10.744 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.717 -11.460 3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.180 -10.133 3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.632 -11.764 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.396 -11.071 5.229 1.00 0.00 H new ATOM 722 N MET A 49 5.796 -15.860 3.617 1.00 0.00 N ATOM 723 CA MET A 49 6.288 -16.930 2.756 1.00 0.00 C ATOM 724 C MET A 49 5.282 -18.074 2.684 1.00 0.00 C ATOM 725 O MET A 49 5.076 -18.668 1.625 1.00 0.00 O ATOM 726 CB MET A 49 7.632 -17.449 3.269 1.00 0.00 C ATOM 727 CG MET A 49 8.799 -16.526 2.955 1.00 0.00 C ATOM 728 SD MET A 49 10.215 -16.806 4.036 1.00 0.00 S ATOM 729 CE MET A 49 11.536 -16.100 3.053 1.00 0.00 C ATOM 0 H MET A 49 6.450 -15.570 4.344 1.00 0.00 H new ATOM 0 HA MET A 49 6.423 -16.524 1.754 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.570 -17.589 4.348 1.00 0.00 H new ATOM 0 HB3 MET A 49 7.825 -18.428 2.831 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.104 -16.671 1.919 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.474 -15.490 3.050 1.00 0.00 H new ATOM 0 HE1 MET A 49 12.480 -16.197 3.589 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.603 -16.627 2.101 1.00 0.00 H new ATOM 0 HE3 MET A 49 11.330 -15.046 2.870 1.00 0.00 H new ATOM 739 N LYS A 50 4.657 -18.380 3.816 1.00 0.00 N ATOM 740 CA LYS A 50 3.672 -19.453 3.881 1.00 0.00 C ATOM 741 C LYS A 50 2.270 -18.922 3.601 1.00 0.00 C ATOM 742 O LYS A 50 1.455 -19.597 2.974 1.00 0.00 O ATOM 743 CB LYS A 50 3.709 -20.124 5.256 1.00 0.00 C ATOM 744 CG LYS A 50 5.015 -20.843 5.548 1.00 0.00 C ATOM 745 CD LYS A 50 5.018 -22.248 4.971 1.00 0.00 C ATOM 746 CE LYS A 50 4.294 -23.227 5.883 1.00 0.00 C ATOM 747 NZ LYS A 50 5.125 -23.609 7.058 1.00 0.00 N ATOM 0 H LYS A 50 4.815 -17.899 4.702 1.00 0.00 H new ATOM 0 HA LYS A 50 3.922 -20.189 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.540 -19.369 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.888 -20.838 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.846 -20.275 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.172 -20.891 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.541 -22.241 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.046 -22.579 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.361 -22.780 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.030 -24.121 5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.647 -24.364 7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.052 -23.949 6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.257 -22.781 7.674 1.00 0.00 H new ATOM 761 N ASN A 51 1.998 -17.708 4.068 1.00 0.00 N ATOM 762 CA ASN A 51 0.694 -17.086 3.865 1.00 0.00 C ATOM 763 C ASN A 51 0.607 -16.441 2.485 1.00 0.00 C ATOM 764 O ASN A 51 1.591 -16.395 1.748 1.00 0.00 O ATOM 765 CB ASN A 51 0.432 -16.037 4.948 1.00 0.00 C ATOM 766 CG ASN A 51 0.148 -16.661 6.301 1.00 0.00 C ATOM 767 OD1 ASN A 51 0.118 -17.884 6.439 1.00 0.00 O ATOM 768 ND2 ASN A 51 -0.062 -15.821 7.307 1.00 0.00 N ATOM 0 H ASN A 51 2.662 -17.136 4.589 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.066 -17.865 3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.297 -15.379 5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.414 -15.417 4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.258 -16.182 8.241 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.027 -14.814 7.147 1.00 0.00 H new ATOM 775 N ARG A 52 -0.578 -15.944 2.144 1.00 0.00 N ATOM 776 CA ARG A 52 -0.794 -15.303 0.853 1.00 0.00 C ATOM 777 C ARG A 52 0.181 -14.146 0.651 1.00 0.00 C ATOM 778 O ARG A 52 0.554 -13.462 1.603 1.00 0.00 O ATOM 779 CB ARG A 52 -2.233 -14.796 0.746 1.00 0.00 C ATOM 780 CG ARG A 52 -3.271 -15.906 0.743 1.00 0.00 C ATOM 781 CD ARG A 52 -3.116 -16.811 -0.469 1.00 0.00 C ATOM 782 NE ARG A 52 -4.110 -17.881 -0.485 1.00 0.00 N ATOM 783 CZ ARG A 52 -5.406 -17.677 -0.696 1.00 0.00 C ATOM 784 NH1 ARG A 52 -5.861 -16.450 -0.909 1.00 0.00 N ATOM 785 NH2 ARG A 52 -6.248 -18.702 -0.695 1.00 0.00 N ATOM 0 H ARG A 52 -1.402 -15.973 2.744 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.618 -16.044 0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.435 -14.123 1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.336 -14.211 -0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.176 -16.497 1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.270 -15.471 0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.208 -16.217 -1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.116 -17.245 -0.471 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.792 -18.837 -0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.216 -15.660 -0.911 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.856 -16.296 -1.071 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.901 -19.647 -0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.243 -18.545 -0.857 1.00 0.00 H new ATOM 799 N GLY A 53 0.590 -13.934 -0.596 1.00 0.00 N ATOM 800 CA GLY A 53 1.517 -12.860 -0.901 1.00 0.00 C ATOM 801 C GLY A 53 0.878 -11.491 -0.781 1.00 0.00 C ATOM 802 O GLY A 53 -0.248 -11.281 -1.233 1.00 0.00 O ATOM 0 H GLY A 53 0.296 -14.487 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.371 -12.919 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.900 -12.991 -1.913 1.00 0.00 H new ATOM 806 N PHE A 54 1.597 -10.555 -0.170 1.00 0.00 N ATOM 807 CA PHE A 54 1.092 -9.199 0.010 1.00 0.00 C ATOM 808 C PHE A 54 2.241 -8.200 0.117 1.00 0.00 C ATOM 809 O PHE A 54 3.400 -8.586 0.267 1.00 0.00 O ATOM 810 CB PHE A 54 0.215 -9.120 1.262 1.00 0.00 C ATOM 811 CG PHE A 54 0.205 -7.761 1.902 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.272 -7.338 2.677 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.872 -6.907 1.728 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.264 -6.088 3.268 1.00 0.00 C ATOM 815 CE2 PHE A 54 -0.886 -5.656 2.315 1.00 0.00 C ATOM 816 CZ PHE A 54 0.185 -5.246 3.086 1.00 0.00 C ATOM 0 H PHE A 54 2.531 -10.711 0.209 1.00 0.00 H new ATOM 0 HA PHE A 54 0.491 -8.943 -0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.806 -9.396 0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.566 -9.853 1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.120 -7.992 2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.711 -7.223 1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.101 -5.770 3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.732 -5.000 2.171 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.178 -4.269 3.545 1.00 0.00 H new ATOM 826 N ALA A 55 1.910 -6.916 0.037 1.00 0.00 N ATOM 827 CA ALA A 55 2.913 -5.862 0.126 1.00 0.00 C ATOM 828 C ALA A 55 2.284 -4.541 0.557 1.00 0.00 C ATOM 829 O ALA A 55 1.099 -4.301 0.326 1.00 0.00 O ATOM 830 CB ALA A 55 3.626 -5.698 -1.208 1.00 0.00 C ATOM 0 H ALA A 55 0.955 -6.580 -0.089 1.00 0.00 H new ATOM 0 HA ALA A 55 3.642 -6.152 0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.372 -4.908 -1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.116 -6.634 -1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.901 -5.435 -1.978 1.00 0.00 H new ATOM 836 N PHE A 56 3.085 -3.687 1.185 1.00 0.00 N ATOM 837 CA PHE A 56 2.606 -2.390 1.650 1.00 0.00 C ATOM 838 C PHE A 56 3.113 -1.268 0.749 1.00 0.00 C ATOM 839 O PHE A 56 4.287 -1.234 0.381 1.00 0.00 O ATOM 840 CB PHE A 56 3.056 -2.144 3.092 1.00 0.00 C ATOM 841 CG PHE A 56 2.078 -2.640 4.118 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.808 -2.092 4.206 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.428 -3.654 4.994 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.094 -2.546 5.149 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.529 -4.113 5.939 1.00 0.00 C ATOM 846 CZ PHE A 56 0.267 -3.558 6.017 1.00 0.00 C ATOM 0 H PHE A 56 4.069 -3.869 1.384 1.00 0.00 H new ATOM 0 HA PHE A 56 1.517 -2.398 1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.017 -2.632 3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.213 -1.075 3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.520 -1.301 3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.414 -4.091 4.938 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.080 -2.110 5.207 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.814 -4.905 6.616 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.436 -3.914 6.755 1.00 0.00 H new ATOM 856 N VAL A 57 2.218 -0.351 0.396 1.00 0.00 N ATOM 857 CA VAL A 57 2.573 0.774 -0.462 1.00 0.00 C ATOM 858 C VAL A 57 2.322 2.102 0.242 1.00 0.00 C ATOM 859 O VAL A 57 1.183 2.559 0.339 1.00 0.00 O ATOM 860 CB VAL A 57 1.778 0.746 -1.781 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.489 1.562 -2.850 1.00 0.00 C ATOM 862 CG2 VAL A 57 1.567 -0.687 -2.245 1.00 0.00 C ATOM 0 H VAL A 57 1.242 -0.365 0.691 1.00 0.00 H new ATOM 0 HA VAL A 57 3.636 0.680 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 57 0.800 1.195 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.913 1.531 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.584 2.595 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.481 1.145 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.004 -0.688 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.534 -1.164 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.012 -1.237 -1.485 1.00 0.00 H new ATOM 872 N GLU A 58 3.394 2.719 0.731 1.00 0.00 N ATOM 873 CA GLU A 58 3.289 3.996 1.426 1.00 0.00 C ATOM 874 C GLU A 58 3.242 5.154 0.433 1.00 0.00 C ATOM 875 O GLU A 58 4.011 5.194 -0.527 1.00 0.00 O ATOM 876 CB GLU A 58 4.468 4.179 2.384 1.00 0.00 C ATOM 877 CG GLU A 58 4.220 5.219 3.463 1.00 0.00 C ATOM 878 CD GLU A 58 5.498 5.881 3.941 1.00 0.00 C ATOM 879 OE1 GLU A 58 6.328 6.253 3.085 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.669 6.025 5.169 1.00 0.00 O ATOM 0 H GLU A 58 4.344 2.355 0.658 1.00 0.00 H new ATOM 0 HA GLU A 58 2.362 3.993 1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.692 3.223 2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.350 4.466 1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.542 5.981 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.721 4.747 4.310 1.00 0.00 H new ATOM 887 N TYR A 59 2.332 6.093 0.671 1.00 0.00 N ATOM 888 CA TYR A 59 2.182 7.250 -0.203 1.00 0.00 C ATOM 889 C TYR A 59 2.412 8.547 0.566 1.00 0.00 C ATOM 890 O TYR A 59 1.892 8.729 1.666 1.00 0.00 O ATOM 891 CB TYR A 59 0.789 7.260 -0.835 1.00 0.00 C ATOM 892 CG TYR A 59 0.554 6.120 -1.801 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.198 4.857 -1.343 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.688 6.306 -3.171 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.016 3.813 -2.221 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.474 5.267 -4.057 1.00 0.00 C ATOM 897 CZ TYR A 59 0.123 4.023 -3.577 1.00 0.00 C ATOM 898 OH TYR A 59 -0.091 2.986 -4.456 1.00 0.00 O ATOM 0 H TYR A 59 1.688 6.075 1.462 1.00 0.00 H new ATOM 0 HA TYR A 59 2.932 7.178 -0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.040 7.215 -0.044 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.644 8.205 -1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.087 4.689 -0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.964 7.279 -3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.291 2.837 -1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.581 5.429 -5.119 1.00 0.00 H new ATOM 0 HH TYR A 59 0.567 3.031 -5.181 1.00 0.00 H new ATOM 908 N GLU A 60 3.196 9.446 -0.023 1.00 0.00 N ATOM 909 CA GLU A 60 3.496 10.726 0.607 1.00 0.00 C ATOM 910 C GLU A 60 2.212 11.467 0.972 1.00 0.00 C ATOM 911 O GLU A 60 2.058 11.946 2.096 1.00 0.00 O ATOM 912 CB GLU A 60 4.348 11.590 -0.325 1.00 0.00 C ATOM 913 CG GLU A 60 3.738 11.785 -1.703 1.00 0.00 C ATOM 914 CD GLU A 60 4.676 12.489 -2.663 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.049 13.649 -2.384 1.00 0.00 O ATOM 916 OE2 GLU A 60 5.039 11.882 -3.692 1.00 0.00 O ATOM 0 H GLU A 60 3.634 9.311 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 60 4.055 10.530 1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.501 12.566 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.331 11.132 -0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.464 10.814 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.818 12.363 -1.610 1.00 0.00 H new ATOM 923 N SER A 61 1.294 11.556 0.015 1.00 0.00 N ATOM 924 CA SER A 61 0.026 12.241 0.234 1.00 0.00 C ATOM 925 C SER A 61 -1.093 11.240 0.502 1.00 0.00 C ATOM 926 O SER A 61 -1.324 10.323 -0.287 1.00 0.00 O ATOM 927 CB SER A 61 -0.327 13.105 -0.978 1.00 0.00 C ATOM 928 OG SER A 61 -1.038 12.356 -1.949 1.00 0.00 O ATOM 0 H SER A 61 1.405 11.162 -0.919 1.00 0.00 H new ATOM 0 HA SER A 61 0.134 12.882 1.109 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.928 13.956 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.585 13.507 -1.420 1.00 0.00 H new ATOM 0 HG SER A 61 -1.764 12.902 -2.317 1.00 0.00 H new ATOM 934 N HIS A 62 -1.786 11.423 1.622 1.00 0.00 N ATOM 935 CA HIS A 62 -2.882 10.536 1.996 1.00 0.00 C ATOM 936 C HIS A 62 -3.828 10.316 0.819 1.00 0.00 C ATOM 937 O HIS A 62 -4.441 9.255 0.692 1.00 0.00 O ATOM 938 CB HIS A 62 -3.653 11.115 3.183 1.00 0.00 C ATOM 939 CG HIS A 62 -5.086 10.684 3.234 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.482 9.439 3.675 1.00 0.00 N ATOM 941 CD2 HIS A 62 -6.221 11.342 2.900 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.798 9.348 3.607 1.00 0.00 C ATOM 943 NE2 HIS A 62 -7.271 10.490 3.140 1.00 0.00 N ATOM 0 H HIS A 62 -1.608 12.177 2.286 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.457 9.574 2.283 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.159 10.816 4.107 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.611 12.203 3.137 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.288 12.349 2.516 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.387 8.487 3.886 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.256 10.704 2.983 1.00 0.00 H new ATOM 951 N ARG A 63 -3.943 11.325 -0.039 1.00 0.00 N ATOM 952 CA ARG A 63 -4.816 11.242 -1.203 1.00 0.00 C ATOM 953 C ARG A 63 -4.221 10.320 -2.264 1.00 0.00 C ATOM 954 O ARG A 63 -4.919 9.484 -2.836 1.00 0.00 O ATOM 955 CB ARG A 63 -5.047 12.634 -1.794 1.00 0.00 C ATOM 956 CG ARG A 63 -6.044 12.651 -2.942 1.00 0.00 C ATOM 957 CD ARG A 63 -7.451 12.333 -2.461 1.00 0.00 C ATOM 958 NE ARG A 63 -8.014 13.417 -1.662 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.162 13.322 -0.999 1.00 0.00 C ATOM 960 NH1 ARG A 63 -9.863 12.198 -1.039 1.00 0.00 N ATOM 961 NH2 ARG A 63 -9.609 14.353 -0.293 1.00 0.00 N ATOM 0 H ARG A 63 -3.442 12.209 0.051 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.771 10.828 -0.881 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.401 13.299 -1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.095 13.033 -2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.034 13.631 -3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.744 11.925 -3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.094 12.145 -3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.434 11.418 -1.869 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.498 14.295 -1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.522 11.403 -1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.744 12.128 -0.529 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.071 15.219 -0.259 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.490 14.279 0.215 1.00 0.00 H new ATOM 975 N ALA A 64 -2.926 10.479 -2.520 1.00 0.00 N ATOM 976 CA ALA A 64 -2.238 9.660 -3.510 1.00 0.00 C ATOM 977 C ALA A 64 -2.589 8.186 -3.344 1.00 0.00 C ATOM 978 O ALA A 64 -2.555 7.418 -4.305 1.00 0.00 O ATOM 979 CB ALA A 64 -0.733 9.862 -3.407 1.00 0.00 C ATOM 0 H ALA A 64 -2.333 11.167 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.569 9.975 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.231 9.244 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.494 10.911 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.395 9.576 -2.411 1.00 0.00 H new ATOM 985 N ALA A 65 -2.925 7.797 -2.118 1.00 0.00 N ATOM 986 CA ALA A 65 -3.284 6.415 -1.827 1.00 0.00 C ATOM 987 C ALA A 65 -4.779 6.184 -2.018 1.00 0.00 C ATOM 988 O ALA A 65 -5.195 5.148 -2.537 1.00 0.00 O ATOM 989 CB ALA A 65 -2.869 6.049 -0.409 1.00 0.00 C ATOM 0 H ALA A 65 -2.956 8.420 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.751 5.772 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.143 5.014 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.790 6.166 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.376 6.705 0.299 1.00 0.00 H new ATOM 995 N ALA A 66 -5.582 7.154 -1.595 1.00 0.00 N ATOM 996 CA ALA A 66 -7.031 7.056 -1.721 1.00 0.00 C ATOM 997 C ALA A 66 -7.450 6.962 -3.184 1.00 0.00 C ATOM 998 O ALA A 66 -8.367 6.219 -3.530 1.00 0.00 O ATOM 999 CB ALA A 66 -7.701 8.249 -1.054 1.00 0.00 C ATOM 0 H ALA A 66 -5.254 8.017 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.353 6.144 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.783 8.163 -1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.437 8.271 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.364 9.169 -1.531 1.00 0.00 H new ATOM 1005 N MET A 67 -6.772 7.722 -4.038 1.00 0.00 N ATOM 1006 CA MET A 67 -7.074 7.723 -5.465 1.00 0.00 C ATOM 1007 C MET A 67 -6.309 6.616 -6.184 1.00 0.00 C ATOM 1008 O MET A 67 -6.662 6.226 -7.296 1.00 0.00 O ATOM 1009 CB MET A 67 -6.728 9.080 -6.080 1.00 0.00 C ATOM 1010 CG MET A 67 -5.279 9.491 -5.871 1.00 0.00 C ATOM 1011 SD MET A 67 -4.651 10.525 -7.208 1.00 0.00 S ATOM 1012 CE MET A 67 -4.567 12.118 -6.392 1.00 0.00 C ATOM 0 H MET A 67 -6.011 8.344 -3.767 1.00 0.00 H new ATOM 0 HA MET A 67 -8.142 7.539 -5.585 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.938 9.049 -7.149 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.379 9.841 -5.650 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.191 10.030 -4.928 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.660 8.597 -5.787 1.00 0.00 H new ATOM 0 HE1 MET A 67 -4.195 12.866 -7.092 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.561 12.404 -6.050 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.894 12.054 -5.537 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.260 6.114 -5.540 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.447 5.051 -6.118 1.00 0.00 C ATOM 1024 C ALA A 68 -5.162 3.706 -6.035 1.00 0.00 C ATOM 1025 O ALA A 68 -5.114 2.908 -6.971 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.098 4.978 -5.417 1.00 0.00 C ATOM 0 H ALA A 68 -4.954 6.426 -4.619 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.285 5.283 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.501 4.180 -5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.576 5.928 -5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.249 4.774 -4.357 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.823 3.461 -4.909 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.546 2.212 -4.703 1.00 0.00 C ATOM 1034 C ARG A 69 -7.765 2.132 -5.619 1.00 0.00 C ATOM 1035 O ARG A 69 -8.001 1.113 -6.266 1.00 0.00 O ATOM 1036 CB ARG A 69 -6.983 2.085 -3.243 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.877 3.221 -2.773 1.00 0.00 C ATOM 1038 CD ARG A 69 -9.348 2.897 -2.988 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.936 2.232 -1.829 1.00 0.00 N ATOM 1040 CZ ARG A 69 -11.242 2.196 -1.587 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -12.090 2.784 -2.419 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -11.701 1.570 -0.510 1.00 0.00 N ATOM 0 H ARG A 69 -5.873 4.111 -4.125 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.875 1.389 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.511 1.140 -3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.097 2.046 -2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.696 3.414 -1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.622 4.133 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.895 3.817 -3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.454 2.259 -3.865 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.310 1.770 -1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.740 3.266 -3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.092 2.755 -2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.051 1.116 0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.704 1.543 -0.325 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.534 3.215 -5.666 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.729 3.267 -6.500 1.00 0.00 C ATOM 1058 C ARG A 70 -9.404 2.881 -7.940 1.00 0.00 C ATOM 1059 O ARG A 70 -10.297 2.564 -8.726 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.343 4.667 -6.462 1.00 0.00 C ATOM 1061 CG ARG A 70 -11.255 4.965 -7.641 1.00 0.00 C ATOM 1062 CD ARG A 70 -11.975 6.293 -7.467 1.00 0.00 C ATOM 1063 NE ARG A 70 -13.222 6.342 -8.226 1.00 0.00 N ATOM 1064 CZ ARG A 70 -14.331 5.708 -7.860 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -14.347 4.980 -6.752 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -15.426 5.802 -8.603 1.00 0.00 N ATOM 0 H ARG A 70 -8.351 4.068 -5.137 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.449 2.551 -6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.909 4.781 -5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.542 5.405 -6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.669 4.985 -8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.987 4.164 -7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.187 6.455 -6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.322 7.104 -7.789 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.243 6.893 -9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.507 4.906 -6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.199 4.494 -6.473 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.417 6.361 -9.456 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.277 5.315 -8.321 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.120 2.910 -8.279 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.675 2.563 -9.624 1.00 0.00 C ATOM 1082 C LYS A 71 -7.412 1.065 -9.740 1.00 0.00 C ATOM 1083 O LYS A 71 -7.716 0.448 -10.762 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.408 3.343 -9.981 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.909 3.080 -11.392 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.566 3.744 -11.641 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.803 3.055 -12.762 1.00 0.00 C ATOM 1088 NZ LYS A 71 -2.846 3.979 -13.431 1.00 0.00 N ATOM 0 H LYS A 71 -7.368 3.170 -7.641 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.468 2.830 -10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.603 4.409 -9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.621 3.085 -9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.820 2.006 -11.553 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.638 3.451 -12.112 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.719 4.793 -11.895 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.972 3.720 -10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.261 2.199 -12.360 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.509 2.668 -13.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.575 3.588 -14.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.296 4.907 -13.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.998 4.088 -12.839 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.847 0.484 -8.687 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.544 -0.943 -8.671 1.00 0.00 C ATOM 1104 C LEU A 72 -7.598 -1.714 -7.883 1.00 0.00 C ATOM 1105 O LEU A 72 -7.511 -2.933 -7.739 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.160 -1.184 -8.065 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.120 -0.090 -8.311 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.936 -0.258 -7.371 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.659 -0.108 -9.761 1.00 0.00 C ATOM 0 H LEU A 72 -6.589 0.979 -7.833 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.551 -1.303 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.274 -1.314 -6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.771 -2.123 -8.460 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.583 0.876 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.206 0.529 -7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.279 -0.194 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.473 -1.230 -7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.919 0.677 -9.917 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.214 -1.076 -9.989 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.513 0.062 -10.416 1.00 0.00 H new ATOM 1121 N MET A 73 -8.594 -0.994 -7.376 1.00 0.00 N ATOM 1122 CA MET A 73 -9.667 -1.612 -6.605 1.00 0.00 C ATOM 1123 C MET A 73 -10.384 -2.678 -7.429 1.00 0.00 C ATOM 1124 O MET A 73 -10.550 -3.820 -7.000 1.00 0.00 O ATOM 1125 CB MET A 73 -10.667 -0.551 -6.142 1.00 0.00 C ATOM 1126 CG MET A 73 -11.232 -0.813 -4.755 1.00 0.00 C ATOM 1127 SD MET A 73 -12.209 -2.326 -4.677 1.00 0.00 S ATOM 1128 CE MET A 73 -11.235 -3.300 -3.533 1.00 0.00 C ATOM 0 H MET A 73 -8.680 0.016 -7.485 1.00 0.00 H new ATOM 0 HA MET A 73 -9.224 -2.090 -5.731 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.179 0.424 -6.149 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.489 -0.501 -6.857 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.412 -0.877 -4.039 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.852 0.031 -4.454 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.712 -4.268 -3.382 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.235 -3.448 -3.941 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.164 -2.778 -2.579 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.820 -2.298 -8.639 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.526 -3.207 -9.547 1.00 0.00 C ATOM 1140 C PRO A 74 -10.612 -4.291 -10.108 1.00 0.00 C ATOM 1141 O PRO A 74 -11.030 -5.102 -10.933 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.011 -2.283 -10.667 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.060 -1.137 -10.651 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.658 -0.952 -9.214 1.00 0.00 C ATOM 0 HA PRO A 74 -12.328 -3.745 -9.043 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.002 -2.791 -11.631 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.034 -1.951 -10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.191 -1.342 -11.276 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.529 -0.235 -11.044 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.631 -0.598 -9.126 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.291 -0.221 -8.711 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.362 -4.298 -9.655 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.409 -5.287 -10.122 1.00 0.00 C ATOM 1154 C GLY A 75 -8.108 -5.148 -11.601 1.00 0.00 C ATOM 1155 O GLY A 75 -7.606 -6.079 -12.230 1.00 0.00 O ATOM 0 H GLY A 75 -8.993 -3.636 -8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.483 -5.191 -9.555 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.800 -6.285 -9.926 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.415 -3.981 -12.159 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.177 -3.724 -13.574 1.00 0.00 C ATOM 1161 C ARG A 76 -6.694 -3.859 -13.908 1.00 0.00 C ATOM 1162 O ARG A 76 -6.332 -4.304 -14.998 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.670 -2.325 -13.950 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.120 -2.293 -14.406 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.653 -0.870 -14.464 1.00 0.00 C ATOM 1166 NE ARG A 76 -10.396 -0.242 -15.757 1.00 0.00 N ATOM 1167 CZ ARG A 76 -9.255 0.366 -16.065 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -8.272 0.426 -15.177 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -9.096 0.914 -17.262 1.00 0.00 N ATOM 0 H ARG A 76 -8.829 -3.199 -11.652 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.731 -4.464 -14.151 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.553 -1.665 -13.091 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.039 -1.928 -14.745 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.204 -2.755 -15.390 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.731 -2.884 -13.724 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.726 -0.877 -14.271 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.191 -0.277 -13.675 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.132 -0.272 -16.462 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.391 0.005 -14.256 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.397 0.893 -15.415 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.850 0.869 -17.948 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.220 1.380 -17.497 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.842 -3.472 -12.965 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.400 -3.550 -13.160 1.00 0.00 C ATOM 1185 C ILE A 77 -3.824 -4.800 -12.503 1.00 0.00 C ATOM 1186 O ILE A 77 -4.287 -5.226 -11.445 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.686 -2.310 -12.591 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -3.910 -1.103 -13.504 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.200 -2.585 -12.422 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.124 -0.280 -13.132 1.00 0.00 C ATOM 0 H ILE A 77 -6.126 -3.101 -12.058 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.229 -3.595 -14.236 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.107 -2.084 -11.611 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.026 -0.466 -13.474 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.018 -1.450 -14.532 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.710 -1.699 -12.019 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.060 -3.421 -11.736 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.763 -2.833 -13.390 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.220 0.559 -13.822 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.017 -0.902 -13.190 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.010 0.097 -12.116 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.811 -5.382 -13.137 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.171 -6.583 -12.613 1.00 0.00 C ATOM 1204 C GLN A 78 -0.659 -6.401 -12.529 1.00 0.00 C ATOM 1205 O GLN A 78 -0.068 -5.656 -13.312 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.503 -7.789 -13.494 1.00 0.00 C ATOM 1207 CG GLN A 78 -3.995 -8.009 -13.686 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.300 -9.221 -14.544 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -4.533 -9.101 -15.747 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -4.299 -10.398 -13.929 1.00 0.00 N ATOM 0 H GLN A 78 -2.416 -5.042 -14.014 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.554 -6.760 -11.608 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.035 -7.656 -14.469 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.066 -8.684 -13.051 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.469 -8.130 -12.712 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.433 -7.123 -14.146 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.101 -10.451 -12.930 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.497 -11.249 -14.456 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.038 -7.085 -11.575 1.00 0.00 N ATOM 1220 CA LEU A 79 1.406 -6.999 -11.387 1.00 0.00 C ATOM 1221 C LEU A 79 2.087 -8.300 -11.800 1.00 0.00 C ATOM 1222 O LEU A 79 1.866 -9.348 -11.193 1.00 0.00 O ATOM 1223 CB LEU A 79 1.733 -6.681 -9.927 1.00 0.00 C ATOM 1224 CG LEU A 79 1.143 -5.382 -9.375 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.413 -5.265 -7.884 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.711 -4.181 -10.118 1.00 0.00 C ATOM 0 H LEU A 79 -0.512 -7.706 -10.919 1.00 0.00 H new ATOM 0 HA LEU A 79 1.782 -6.196 -12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.383 -7.507 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.817 -6.639 -9.819 1.00 0.00 H new ATOM 0 HG LEU A 79 0.064 -5.401 -9.527 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.986 -4.335 -7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.958 -6.109 -7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.489 -5.268 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.281 -3.265 -9.712 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.794 -4.157 -9.997 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.466 -4.259 -11.177 1.00 0.00 H new ATOM 1238 N TRP A 80 2.917 -8.225 -12.834 1.00 0.00 N ATOM 1239 CA TRP A 80 3.632 -9.396 -13.327 1.00 0.00 C ATOM 1240 C TRP A 80 2.659 -10.493 -13.744 1.00 0.00 C ATOM 1241 O TRP A 80 2.902 -11.675 -13.507 1.00 0.00 O ATOM 1242 CB TRP A 80 4.586 -9.925 -12.255 1.00 0.00 C ATOM 1243 CG TRP A 80 5.387 -8.847 -11.588 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.491 -8.218 -12.088 1.00 0.00 C ATOM 1245 CD2 TRP A 80 5.146 -8.274 -10.299 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.950 -7.288 -11.187 1.00 0.00 N ATOM 1247 CE2 TRP A 80 6.142 -7.303 -10.081 1.00 0.00 C ATOM 1248 CE3 TRP A 80 4.184 -8.486 -9.307 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.203 -6.547 -8.913 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.246 -7.736 -8.148 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.249 -6.776 -7.959 1.00 0.00 C ATOM 0 H TRP A 80 3.111 -7.365 -13.347 1.00 0.00 H new ATOM 0 HA TRP A 80 4.209 -9.096 -14.202 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.011 -10.461 -11.500 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.267 -10.646 -12.708 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.938 -8.422 -13.050 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.761 -6.684 -11.320 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.406 -9.223 -9.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.975 -5.807 -8.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.509 -7.892 -7.375 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.270 -6.205 -7.042 1.00 0.00 H new ATOM 1262 N GLY A 81 1.554 -10.093 -14.368 1.00 0.00 N ATOM 1263 CA GLY A 81 0.561 -11.055 -14.808 1.00 0.00 C ATOM 1264 C GLY A 81 -0.221 -11.650 -13.654 1.00 0.00 C ATOM 1265 O GLY A 81 -1.057 -12.533 -13.851 1.00 0.00 O ATOM 0 H GLY A 81 1.330 -9.120 -14.576 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.129 -10.570 -15.499 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.054 -11.855 -15.360 1.00 0.00 H new ATOM 1269 N HIS A 82 0.051 -11.168 -12.446 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.633 -11.659 -11.255 1.00 0.00 C ATOM 1271 C HIS A 82 -1.688 -10.662 -10.785 1.00 0.00 C ATOM 1272 O HIS A 82 -1.419 -9.466 -10.674 1.00 0.00 O ATOM 1273 CB HIS A 82 0.373 -11.920 -10.134 1.00 0.00 C ATOM 1274 CG HIS A 82 1.181 -13.166 -10.332 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.555 -13.993 -9.295 1.00 0.00 N ATOM 1276 CD2 HIS A 82 1.684 -13.725 -11.458 1.00 0.00 C ATOM 1277 CE1 HIS A 82 2.255 -15.007 -9.773 1.00 0.00 C ATOM 1278 NE2 HIS A 82 2.347 -14.868 -11.083 1.00 0.00 N ATOM 0 H HIS A 82 0.740 -10.438 -12.266 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.130 -12.594 -11.512 1.00 0.00 H new ATOM 0 HB2 HIS A 82 1.048 -11.068 -10.057 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.161 -11.990 -9.187 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.583 -13.343 -12.463 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.679 -15.812 -9.191 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.832 -15.506 -11.714 1.00 0.00 H new ATOM 1286 N GLN A 83 -2.888 -11.163 -10.511 1.00 0.00 N ATOM 1287 CA GLN A 83 -3.984 -10.316 -10.054 1.00 0.00 C ATOM 1288 C GLN A 83 -3.683 -9.732 -8.678 1.00 0.00 C ATOM 1289 O GLN A 83 -3.160 -10.421 -7.801 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.288 -11.113 -10.009 1.00 0.00 C ATOM 1291 CG GLN A 83 -6.471 -10.314 -9.485 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.801 -10.977 -9.785 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -8.317 -11.753 -8.980 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -8.365 -10.675 -10.949 1.00 0.00 N ATOM 0 H GLN A 83 -3.126 -12.151 -10.597 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.094 -9.494 -10.761 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.519 -11.473 -11.012 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.146 -11.991 -9.379 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.369 -10.185 -8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.457 -9.318 -9.928 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.903 -10.027 -11.587 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.260 -11.091 -11.205 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.015 -8.458 -8.496 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.781 -7.782 -7.226 1.00 0.00 C ATOM 1305 C ILE A 84 -5.031 -7.048 -6.755 1.00 0.00 C ATOM 1306 O ILE A 84 -5.882 -6.670 -7.560 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.618 -6.778 -7.329 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.793 -5.886 -8.559 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.287 -7.513 -7.386 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.603 -4.637 -8.290 1.00 0.00 C ATOM 0 H ILE A 84 -4.447 -7.874 -9.212 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.521 -8.554 -6.501 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.624 -6.146 -6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.810 -5.598 -8.932 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.278 -6.461 -9.348 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.475 -6.790 -7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.162 -8.110 -6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.270 -8.167 -8.258 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.686 -4.053 -9.206 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.599 -4.916 -7.946 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.108 -4.041 -7.523 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.136 -6.847 -5.445 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.280 -6.154 -4.867 1.00 0.00 C ATOM 1324 C ALA A 85 -5.834 -5.122 -3.837 1.00 0.00 C ATOM 1325 O ALA A 85 -4.928 -5.375 -3.043 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.238 -7.154 -4.236 1.00 0.00 C ATOM 0 H ALA A 85 -4.442 -7.155 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.798 -5.627 -5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.088 -6.623 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.591 -7.850 -4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.722 -7.706 -3.450 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.477 -3.959 -3.855 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.146 -2.889 -2.921 1.00 0.00 C ATOM 1334 C VAL A 86 -7.198 -2.772 -1.824 1.00 0.00 C ATOM 1335 O VAL A 86 -8.399 -2.812 -2.095 1.00 0.00 O ATOM 1336 CB VAL A 86 -6.020 -1.534 -3.643 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.788 -1.516 -4.534 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.276 -1.242 -4.450 1.00 0.00 C ATOM 0 H VAL A 86 -7.230 -3.734 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.186 -3.145 -2.473 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.907 -0.751 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.716 -0.551 -5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.897 -1.677 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.866 -2.307 -5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.170 -0.281 -4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.422 -2.027 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.137 -1.209 -3.783 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.740 -2.626 -0.586 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.642 -2.502 0.553 1.00 0.00 C ATOM 1350 C ASP A 87 -7.154 -1.424 1.517 1.00 0.00 C ATOM 1351 O ASP A 87 -5.957 -1.153 1.605 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.763 -3.840 1.284 1.00 0.00 C ATOM 1353 CG ASP A 87 -9.115 -4.018 1.945 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -10.125 -4.109 1.215 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -9.165 -4.067 3.192 1.00 0.00 O ATOM 0 H ASP A 87 -5.749 -2.591 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.624 -2.212 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.597 -4.653 0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.980 -3.910 2.039 1.00 0.00 H new ATOM 1360 N TRP A 88 -8.089 -0.814 2.235 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.755 0.235 3.192 1.00 0.00 C ATOM 1362 C TRP A 88 -7.026 -0.342 4.400 1.00 0.00 C ATOM 1363 O TRP A 88 -7.645 -0.930 5.287 1.00 0.00 O ATOM 1364 CB TRP A 88 -9.021 0.964 3.645 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.367 2.143 2.787 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.583 2.426 2.233 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.486 3.198 2.384 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.510 3.592 1.510 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.235 4.085 1.588 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.137 3.479 2.621 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.679 5.232 1.027 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.587 4.618 2.063 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.357 5.483 1.275 1.00 0.00 C ATOM 0 H TRP A 88 -9.085 -1.027 2.173 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.093 0.946 2.697 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.856 0.263 3.641 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.890 1.299 4.674 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.471 1.822 2.347 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.281 4.021 0.998 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.536 2.819 3.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.270 5.900 0.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.546 4.845 2.238 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.898 6.366 0.855 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.708 -0.171 4.429 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.896 -0.673 5.530 1.00 0.00 C ATOM 1386 C ALA A 89 -5.645 -0.572 6.855 1.00 0.00 C ATOM 1387 O ALA A 89 -5.692 -1.530 7.625 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.581 0.088 5.606 1.00 0.00 C ATOM 0 H ALA A 89 -5.180 0.312 3.702 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.684 -1.725 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.985 -0.298 6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.032 -0.039 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.782 1.147 5.767 1.00 0.00 H new ATOM 1394 N GLU A 90 -6.227 0.595 7.113 1.00 0.00 N ATOM 1395 CA GLU A 90 -6.972 0.820 8.346 1.00 0.00 C ATOM 1396 C GLU A 90 -8.469 0.920 8.067 1.00 0.00 C ATOM 1397 O GLU A 90 -8.905 1.537 7.094 1.00 0.00 O ATOM 1398 CB GLU A 90 -6.485 2.095 9.037 1.00 0.00 C ATOM 1399 CG GLU A 90 -4.993 2.097 9.327 1.00 0.00 C ATOM 1400 CD GLU A 90 -4.527 0.818 9.995 1.00 0.00 C ATOM 1401 OE1 GLU A 90 -4.791 0.649 11.204 1.00 0.00 O ATOM 1402 OE2 GLU A 90 -3.897 -0.014 9.309 1.00 0.00 O ATOM 0 H GLU A 90 -6.197 1.398 6.485 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.799 -0.031 9.005 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.726 2.953 8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.029 2.222 9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.446 2.236 8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.752 2.946 9.967 1.00 0.00 H new ATOM 1409 N PRO A 91 -9.276 0.299 8.940 1.00 0.00 N ATOM 1410 CA PRO A 91 -10.736 0.304 8.809 1.00 0.00 C ATOM 1411 C PRO A 91 -11.339 1.678 9.080 1.00 0.00 C ATOM 1412 O PRO A 91 -12.115 2.195 8.277 1.00 0.00 O ATOM 1413 CB PRO A 91 -11.191 -0.699 9.873 1.00 0.00 C ATOM 1414 CG PRO A 91 -10.098 -0.698 10.885 1.00 0.00 C ATOM 1415 CD PRO A 91 -8.826 -0.455 10.121 1.00 0.00 C ATOM 0 HA PRO A 91 -11.055 0.049 7.798 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.142 -0.402 10.316 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.335 -1.692 9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -10.259 0.079 11.632 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.058 -1.648 11.417 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.106 0.113 10.710 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.341 -1.390 9.840 1.00 0.00 H new ATOM 1423 N GLU A 92 -10.975 2.265 10.216 1.00 0.00 N ATOM 1424 CA GLU A 92 -11.481 3.580 10.592 1.00 0.00 C ATOM 1425 C GLU A 92 -10.354 4.468 11.111 1.00 0.00 C ATOM 1426 O GLU A 92 -10.002 4.417 12.290 1.00 0.00 O ATOM 1427 CB GLU A 92 -12.571 3.446 11.657 1.00 0.00 C ATOM 1428 CG GLU A 92 -13.792 2.675 11.185 1.00 0.00 C ATOM 1429 CD GLU A 92 -14.681 2.232 12.331 1.00 0.00 C ATOM 1430 OE1 GLU A 92 -15.404 3.085 12.886 1.00 0.00 O ATOM 1431 OE2 GLU A 92 -14.654 1.030 12.671 1.00 0.00 O ATOM 0 H GLU A 92 -10.332 1.851 10.891 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.907 4.045 9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.153 2.948 12.532 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.881 4.442 11.975 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -14.369 3.299 10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.469 1.800 10.621 1.00 0.00 H new ATOM 1438 N ILE A 93 -9.792 5.280 10.222 1.00 0.00 N ATOM 1439 CA ILE A 93 -8.705 6.180 10.590 1.00 0.00 C ATOM 1440 C ILE A 93 -9.244 7.505 11.120 1.00 0.00 C ATOM 1441 O ILE A 93 -10.455 7.723 11.159 1.00 0.00 O ATOM 1442 CB ILE A 93 -7.776 6.459 9.394 1.00 0.00 C ATOM 1443 CG1 ILE A 93 -7.796 5.280 8.419 1.00 0.00 C ATOM 1444 CG2 ILE A 93 -6.359 6.730 9.876 1.00 0.00 C ATOM 1445 CD1 ILE A 93 -8.860 5.397 7.350 1.00 0.00 C ATOM 0 H ILE A 93 -10.071 5.333 9.242 1.00 0.00 H new ATOM 0 HA ILE A 93 -8.135 5.682 11.374 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.137 7.345 8.871 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.820 5.198 7.941 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.955 4.359 8.979 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.714 6.925 9.019 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.359 7.598 10.536 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.987 5.861 10.419 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.815 4.527 6.695 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.843 5.448 7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.690 6.301 6.765 1.00 0.00 H new ATOM 1457 N ASP A 94 -8.337 8.386 11.526 1.00 0.00 N ATOM 1458 CA ASP A 94 -8.720 9.691 12.051 1.00 0.00 C ATOM 1459 C ASP A 94 -8.766 10.733 10.938 1.00 0.00 C ATOM 1460 O ASP A 94 -8.418 11.895 11.146 1.00 0.00 O ATOM 1461 CB ASP A 94 -7.742 10.133 13.141 1.00 0.00 C ATOM 1462 CG ASP A 94 -8.162 9.667 14.520 1.00 0.00 C ATOM 1463 OD1 ASP A 94 -8.653 8.525 14.636 1.00 0.00 O ATOM 1464 OD2 ASP A 94 -8.001 10.445 15.485 1.00 0.00 O ATOM 0 H ASP A 94 -7.331 8.220 11.502 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.717 9.603 12.482 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.750 9.742 12.915 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.665 11.220 13.136 1.00 0.00 H new ATOM 1469 N VAL A 95 -9.196 10.308 9.754 1.00 0.00 N ATOM 1470 CA VAL A 95 -9.288 11.204 8.607 1.00 0.00 C ATOM 1471 C VAL A 95 -10.495 12.127 8.726 1.00 0.00 C ATOM 1472 O VAL A 95 -10.422 13.308 8.386 1.00 0.00 O ATOM 1473 CB VAL A 95 -9.385 10.417 7.287 1.00 0.00 C ATOM 1474 CG1 VAL A 95 -8.147 9.558 7.085 1.00 0.00 C ATOM 1475 CG2 VAL A 95 -10.645 9.564 7.267 1.00 0.00 C ATOM 0 H VAL A 95 -9.486 9.349 9.564 1.00 0.00 H new ATOM 0 HA VAL A 95 -8.377 11.802 8.599 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.442 11.129 6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.234 9.009 6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.263 10.195 7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.055 8.853 7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -10.698 9.015 6.327 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -10.621 8.859 8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -11.521 10.206 7.361 1.00 0.00 H new ATOM 1485 N ASP A 96 -11.605 11.581 9.211 1.00 0.00 N ATOM 1486 CA ASP A 96 -12.829 12.356 9.377 1.00 0.00 C ATOM 1487 C ASP A 96 -12.605 13.529 10.327 1.00 0.00 C ATOM 1488 O ASP A 96 -13.218 14.586 10.177 1.00 0.00 O ATOM 1489 CB ASP A 96 -13.955 11.465 9.903 1.00 0.00 C ATOM 1490 CG ASP A 96 -14.222 10.276 9.002 1.00 0.00 C ATOM 1491 OD1 ASP A 96 -13.436 9.306 9.051 1.00 0.00 O ATOM 1492 OD2 ASP A 96 -15.215 10.315 8.246 1.00 0.00 O ATOM 0 H ASP A 96 -11.682 10.605 9.496 1.00 0.00 H new ATOM 0 HA ASP A 96 -13.115 12.751 8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.697 11.110 10.901 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -14.866 12.055 10.000 1.00 0.00 H new ATOM 1497 N GLU A 97 -11.725 13.333 11.303 1.00 0.00 N ATOM 1498 CA GLU A 97 -11.423 14.375 12.278 1.00 0.00 C ATOM 1499 C GLU A 97 -10.187 15.168 11.862 1.00 0.00 C ATOM 1500 O GLU A 97 -10.217 16.397 11.801 1.00 0.00 O ATOM 1501 CB GLU A 97 -11.206 13.760 13.663 1.00 0.00 C ATOM 1502 CG GLU A 97 -11.533 14.706 14.806 1.00 0.00 C ATOM 1503 CD GLU A 97 -10.549 15.855 14.913 1.00 0.00 C ATOM 1504 OE1 GLU A 97 -10.785 16.899 14.271 1.00 0.00 O ATOM 1505 OE2 GLU A 97 -9.542 15.709 15.638 1.00 0.00 O ATOM 0 H GLU A 97 -11.209 12.464 11.440 1.00 0.00 H new ATOM 0 HA GLU A 97 -12.273 15.056 12.319 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.822 12.866 13.755 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.167 13.442 13.751 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.538 15.105 14.666 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.539 14.149 15.743 1.00 0.00 H new ATOM 1512 N ASP A 98 -9.102 14.455 11.579 1.00 0.00 N ATOM 1513 CA ASP A 98 -7.856 15.091 11.168 1.00 0.00 C ATOM 1514 C ASP A 98 -7.248 14.371 9.968 1.00 0.00 C ATOM 1515 O ASP A 98 -6.584 13.345 10.118 1.00 0.00 O ATOM 1516 CB ASP A 98 -6.859 15.106 12.328 1.00 0.00 C ATOM 1517 CG ASP A 98 -7.171 16.186 13.345 1.00 0.00 C ATOM 1518 OD1 ASP A 98 -8.356 16.562 13.468 1.00 0.00 O ATOM 1519 OD2 ASP A 98 -6.230 16.655 14.019 1.00 0.00 O ATOM 0 H ASP A 98 -9.060 13.437 11.627 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.080 16.118 10.878 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.865 14.134 12.821 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.853 15.259 11.937 1.00 0.00 H new ATOM 1524 N VAL A 99 -7.481 14.915 8.778 1.00 0.00 N ATOM 1525 CA VAL A 99 -6.957 14.325 7.552 1.00 0.00 C ATOM 1526 C VAL A 99 -5.683 15.031 7.103 1.00 0.00 C ATOM 1527 O VAL A 99 -4.726 14.391 6.667 1.00 0.00 O ATOM 1528 CB VAL A 99 -7.992 14.383 6.413 1.00 0.00 C ATOM 1529 CG1 VAL A 99 -8.126 15.804 5.886 1.00 0.00 C ATOM 1530 CG2 VAL A 99 -7.609 13.425 5.296 1.00 0.00 C ATOM 0 H VAL A 99 -8.029 15.763 8.637 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.732 13.282 7.775 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.960 14.075 6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.861 15.826 5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.450 16.462 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.162 16.143 5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.351 13.479 4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.631 13.700 4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.569 12.408 5.686 1.00 0.00 H new ATOM 1540 N MET A 100 -5.677 16.356 7.213 1.00 0.00 N ATOM 1541 CA MET A 100 -4.519 17.150 6.819 1.00 0.00 C ATOM 1542 C MET A 100 -3.595 17.390 8.009 1.00 0.00 C ATOM 1543 O MET A 100 -3.887 16.967 9.127 1.00 0.00 O ATOM 1544 CB MET A 100 -4.969 18.488 6.229 1.00 0.00 C ATOM 1545 CG MET A 100 -5.653 19.398 7.237 1.00 0.00 C ATOM 1546 SD MET A 100 -6.476 20.801 6.459 1.00 0.00 S ATOM 1547 CE MET A 100 -8.186 20.460 6.868 1.00 0.00 C ATOM 0 H MET A 100 -6.461 16.902 7.571 1.00 0.00 H new ATOM 0 HA MET A 100 -3.968 16.594 6.060 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.102 19.004 5.816 1.00 0.00 H new ATOM 0 HB3 MET A 100 -5.652 18.299 5.401 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.384 18.821 7.804 1.00 0.00 H new ATOM 0 HG3 MET A 100 -4.914 19.765 7.950 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.822 21.243 6.454 1.00 0.00 H new ATOM 0 HE2 MET A 100 -8.476 19.497 6.448 1.00 0.00 H new ATOM 0 HE3 MET A 100 -8.302 20.433 7.951 1.00 0.00 H new ATOM 1557 N GLU A 101 -2.481 18.072 7.759 1.00 0.00 N ATOM 1558 CA GLU A 101 -1.515 18.366 8.811 1.00 0.00 C ATOM 1559 C GLU A 101 -1.414 19.870 9.051 1.00 0.00 C ATOM 1560 O GLU A 101 -1.577 20.670 8.129 1.00 0.00 O ATOM 1561 CB GLU A 101 -0.141 17.803 8.444 1.00 0.00 C ATOM 1562 CG GLU A 101 0.244 18.036 6.993 1.00 0.00 C ATOM 1563 CD GLU A 101 1.719 17.795 6.734 1.00 0.00 C ATOM 1564 OE1 GLU A 101 2.545 18.226 7.566 1.00 0.00 O ATOM 1565 OE2 GLU A 101 2.047 17.176 5.700 1.00 0.00 O ATOM 0 H GLU A 101 -2.226 18.430 6.839 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.860 17.891 9.730 1.00 0.00 H new ATOM 0 HB2 GLU A 101 0.612 18.257 9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.131 16.732 8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.345 17.378 6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.007 19.059 6.714 1.00 0.00 H new ATOM 1572 N THR A 102 -1.143 20.248 10.297 1.00 0.00 N ATOM 1573 CA THR A 102 -1.021 21.654 10.659 1.00 0.00 C ATOM 1574 C THR A 102 0.179 21.885 11.571 1.00 0.00 C ATOM 1575 O THR A 102 0.837 20.937 11.999 1.00 0.00 O ATOM 1576 CB THR A 102 -2.293 22.165 11.364 1.00 0.00 C ATOM 1577 OG1 THR A 102 -2.617 21.313 12.468 1.00 0.00 O ATOM 1578 CG2 THR A 102 -3.464 22.216 10.395 1.00 0.00 C ATOM 0 H THR A 102 -1.004 19.599 11.072 1.00 0.00 H new ATOM 0 HA THR A 102 -0.881 22.208 9.731 1.00 0.00 H new ATOM 0 HB THR A 102 -2.100 23.174 11.729 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.425 21.645 12.912 1.00 0.00 H new ATOM 0 HG21 THR A 102 -4.351 22.579 10.915 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.225 22.888 9.571 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.657 21.217 10.004 1.00 0.00 H new ATOM 1586 N VAL A 103 0.457 23.151 11.865 1.00 0.00 N ATOM 1587 CA VAL A 103 1.578 23.506 12.728 1.00 0.00 C ATOM 1588 C VAL A 103 1.113 24.339 13.917 1.00 0.00 C ATOM 1589 O VAL A 103 0.495 25.391 13.748 1.00 0.00 O ATOM 1590 CB VAL A 103 2.655 24.290 11.955 1.00 0.00 C ATOM 1591 CG1 VAL A 103 3.784 24.706 12.886 1.00 0.00 C ATOM 1592 CG2 VAL A 103 3.187 23.462 10.795 1.00 0.00 C ATOM 0 H VAL A 103 -0.078 23.947 11.519 1.00 0.00 H new ATOM 0 HA VAL A 103 2.009 22.572 13.089 1.00 0.00 H new ATOM 0 HB VAL A 103 2.200 25.193 11.548 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.536 25.259 12.322 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.387 25.339 13.679 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.240 23.818 13.325 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.947 24.031 10.260 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.626 22.540 11.177 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.370 23.220 10.116 1.00 0.00 H new ATOM 1602 N SER A 104 1.415 23.863 15.121 1.00 0.00 N ATOM 1603 CA SER A 104 1.025 24.563 16.339 1.00 0.00 C ATOM 1604 C SER A 104 2.247 24.897 17.188 1.00 0.00 C ATOM 1605 O SER A 104 2.999 24.010 17.592 1.00 0.00 O ATOM 1606 CB SER A 104 0.044 23.713 17.149 1.00 0.00 C ATOM 1607 OG SER A 104 -0.741 24.520 18.010 1.00 0.00 O ATOM 0 H SER A 104 1.928 22.996 15.279 1.00 0.00 H new ATOM 0 HA SER A 104 0.537 25.495 16.053 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.606 23.159 16.472 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.594 22.978 17.736 1.00 0.00 H new ATOM 0 HG SER A 104 -1.361 23.953 18.515 1.00 0.00 H new ATOM 1613 N GLY A 105 2.440 26.185 17.457 1.00 0.00 N ATOM 1614 CA GLY A 105 3.572 26.615 18.256 1.00 0.00 C ATOM 1615 C GLY A 105 4.651 27.278 17.423 1.00 0.00 C ATOM 1616 O GLY A 105 5.629 26.648 17.019 1.00 0.00 O ATOM 0 H GLY A 105 1.832 26.938 17.135 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.229 27.311 19.021 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.995 25.754 18.774 1.00 0.00 H new ATOM 1620 N PRO A 106 4.479 28.581 17.153 1.00 0.00 N ATOM 1621 CA PRO A 106 5.435 29.358 16.359 1.00 0.00 C ATOM 1622 C PRO A 106 6.751 29.584 17.096 1.00 0.00 C ATOM 1623 O PRO A 106 6.762 30.006 18.252 1.00 0.00 O ATOM 1624 CB PRO A 106 4.712 30.689 16.135 1.00 0.00 C ATOM 1625 CG PRO A 106 3.763 30.801 17.278 1.00 0.00 C ATOM 1626 CD PRO A 106 3.337 29.395 17.602 1.00 0.00 C ATOM 0 HA PRO A 106 5.710 28.846 15.437 1.00 0.00 H new ATOM 0 HB2 PRO A 106 5.414 31.523 16.120 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.185 30.698 15.181 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.241 31.272 18.137 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.904 31.418 17.013 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.147 29.268 18.668 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.420 29.123 17.080 1.00 0.00 H new ATOM 1634 N SER A 107 7.860 29.301 16.419 1.00 0.00 N ATOM 1635 CA SER A 107 9.181 29.471 17.011 1.00 0.00 C ATOM 1636 C SER A 107 10.086 30.289 16.094 1.00 0.00 C ATOM 1637 O SER A 107 10.326 29.915 14.946 1.00 0.00 O ATOM 1638 CB SER A 107 9.817 28.108 17.290 1.00 0.00 C ATOM 1639 OG SER A 107 9.160 27.448 18.358 1.00 0.00 O ATOM 0 H SER A 107 7.869 28.953 15.460 1.00 0.00 H new ATOM 0 HA SER A 107 9.064 30.009 17.952 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.770 27.491 16.393 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.872 28.238 17.532 1.00 0.00 H new ATOM 0 HG SER A 107 9.584 26.579 18.516 1.00 0.00 H new ATOM 1645 N SER A 108 10.586 31.407 16.610 1.00 0.00 N ATOM 1646 CA SER A 108 11.462 32.281 15.838 1.00 0.00 C ATOM 1647 C SER A 108 12.781 31.584 15.521 1.00 0.00 C ATOM 1648 O SER A 108 13.233 30.716 16.266 1.00 0.00 O ATOM 1649 CB SER A 108 11.728 33.578 16.604 1.00 0.00 C ATOM 1650 OG SER A 108 10.742 34.554 16.313 1.00 0.00 O ATOM 0 H SER A 108 10.400 31.729 17.560 1.00 0.00 H new ATOM 0 HA SER A 108 10.962 32.519 14.899 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.739 33.376 17.675 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.714 33.963 16.342 1.00 0.00 H new ATOM 0 HG SER A 108 10.934 35.373 16.816 1.00 0.00 H new ATOM 1656 N GLY A 109 13.396 31.973 14.407 1.00 0.00 N ATOM 1657 CA GLY A 109 14.658 31.377 14.010 1.00 0.00 C ATOM 1658 C GLY A 109 14.512 29.920 13.617 1.00 0.00 C ATOM 1659 O GLY A 109 13.665 29.207 14.154 1.00 0.00 O ATOM 0 H GLY A 109 13.042 32.690 13.773 1.00 0.00 H new ATOM 0 HA2 GLY A 109 15.073 31.937 13.172 1.00 0.00 H new ATOM 0 HA3 GLY A 109 15.370 31.459 14.832 1.00 0.00 H new TER 1663 GLY A 109