USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 735 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 77 THR OG1 : rot 180:sc= 0.382 USER MOD Set 1.2: A 100 THR OG1 : rot -66:sc= 0.399 USER MOD Set 2.1: A 45 SER OG : rot 150:sc= 0.156 USER MOD Set 2.2: A 61 GLN :FLIP amide:sc= -1.91 F(o=-3.2,f=-1.8) USER MOD Single : A 12 CYS SG : rot -160:sc=0.000717 USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot -110:sc= -1.72 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 36:sc= 0.612 USER MOD Single : A 44 TYR OH : rot 165:sc= -1.49 USER MOD Single : A 48 MET CE :methyl -127:sc= -0.337 (180deg=-2.63!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -77:sc= 0.148 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.614 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -53:sc= 0.0904 USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= 0.138 (180deg=0.1) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 7:sc= 1.2 USER MOD Single : A 86 ASN : amide:sc= -1.25 K(o=-1.2,f=-13!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -132:sc= -4.3! (180deg=-5.24!) USER MOD Single : A 94 SER OG : rot 79:sc= -0.173 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot -172:sc= -0.289 USER MOD Single : A 101 THR OG1 : rot -153:sc= 0.307 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.362 16.894 4.673 1.00 0.00 N ATOM 67 CA PRO A 8 9.680 15.711 4.141 1.00 0.00 C ATOM 68 C PRO A 8 8.746 16.052 2.984 1.00 0.00 C ATOM 69 O PRO A 8 8.357 17.203 2.788 1.00 0.00 O ATOM 70 CB PRO A 8 8.880 15.193 5.339 1.00 0.00 C ATOM 71 CG PRO A 8 8.665 16.392 6.197 1.00 0.00 C ATOM 72 CD PRO A 8 9.884 17.253 6.019 1.00 0.00 C ATOM 0 HA PRO A 8 10.383 14.984 3.734 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.932 14.757 5.024 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.426 14.416 5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.763 16.927 5.901 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.538 16.107 7.241 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.641 18.313 6.090 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.636 17.047 6.781 1.00 0.00 H new ATOM 80 N PRO A 9 8.376 15.029 2.200 1.00 0.00 N ATOM 81 CA PRO A 9 7.483 15.196 1.050 1.00 0.00 C ATOM 82 C PRO A 9 6.053 15.519 1.469 1.00 0.00 C ATOM 83 O PRO A 9 5.576 15.048 2.501 1.00 0.00 O ATOM 84 CB PRO A 9 7.541 13.833 0.355 1.00 0.00 C ATOM 85 CG PRO A 9 7.907 12.873 1.433 1.00 0.00 C ATOM 86 CD PRO A 9 8.802 13.630 2.375 1.00 0.00 C ATOM 0 HA PRO A 9 7.788 16.027 0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.582 13.577 -0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.280 13.829 -0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.019 12.507 1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.419 12.002 1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.675 13.297 3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.854 13.496 2.124 1.00 0.00 H new ATOM 94 N GLY A 10 5.372 16.327 0.661 1.00 0.00 N ATOM 95 CA GLY A 10 4.003 16.699 0.966 1.00 0.00 C ATOM 96 C GLY A 10 3.070 15.504 0.995 1.00 0.00 C ATOM 97 O GLY A 10 3.502 14.351 0.979 1.00 0.00 O ATOM 0 H GLY A 10 5.744 16.730 -0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.973 17.203 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.650 17.414 0.223 1.00 0.00 H new ATOM 101 N PRO A 11 1.757 15.774 1.042 1.00 0.00 N ATOM 102 CA PRO A 11 0.734 14.726 1.076 1.00 0.00 C ATOM 103 C PRO A 11 0.631 13.972 -0.245 1.00 0.00 C ATOM 104 O PRO A 11 0.135 14.507 -1.238 1.00 0.00 O ATOM 105 CB PRO A 11 -0.558 15.499 1.353 1.00 0.00 C ATOM 106 CG PRO A 11 -0.294 16.872 0.839 1.00 0.00 C ATOM 107 CD PRO A 11 1.171 17.125 1.065 1.00 0.00 C ATOM 0 HA PRO A 11 0.958 13.963 1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.409 15.043 0.846 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.791 15.513 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.544 16.947 -0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.903 17.609 1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.594 17.760 0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.351 17.625 2.017 1.00 0.00 H new ATOM 115 N CYS A 12 1.102 12.730 -0.251 1.00 0.00 N ATOM 116 CA CYS A 12 1.063 11.903 -1.452 1.00 0.00 C ATOM 117 C CYS A 12 -0.375 11.647 -1.890 1.00 0.00 C ATOM 118 O CYS A 12 -1.321 11.952 -1.162 1.00 0.00 O ATOM 119 CB CYS A 12 1.779 10.575 -1.205 1.00 0.00 C ATOM 120 SG CYS A 12 3.486 10.750 -0.635 1.00 0.00 S ATOM 0 H CYS A 12 1.515 12.273 0.562 1.00 0.00 H new ATOM 0 HA CYS A 12 1.575 12.440 -2.250 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.217 10.004 -0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.773 9.995 -2.128 1.00 0.00 H new ATOM 0 HG CYS A 12 4.132 9.643 -0.852 1.00 0.00 H new ATOM 126 N LEU A 13 -0.534 11.086 -3.083 1.00 0.00 N ATOM 127 CA LEU A 13 -1.858 10.789 -3.619 1.00 0.00 C ATOM 128 C LEU A 13 -2.287 9.370 -3.257 1.00 0.00 C ATOM 129 O LEU A 13 -1.462 8.491 -3.008 1.00 0.00 O ATOM 130 CB LEU A 13 -1.865 10.964 -5.139 1.00 0.00 C ATOM 131 CG LEU A 13 -1.798 12.404 -5.648 1.00 0.00 C ATOM 132 CD1 LEU A 13 -1.601 12.428 -7.156 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.057 13.167 -5.261 1.00 0.00 C ATOM 0 H LEU A 13 0.237 10.827 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.568 11.487 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.020 10.414 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.770 10.502 -5.534 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.943 12.894 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.556 13.461 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.671 11.920 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.435 11.920 -7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.991 14.190 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.928 12.678 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.155 13.180 -4.176 1.00 0.00 H new ATOM 145 N PRO A 14 -3.608 9.140 -3.230 1.00 0.00 N ATOM 146 CA PRO A 14 -4.176 7.829 -2.903 1.00 0.00 C ATOM 147 C PRO A 14 -3.920 6.797 -3.996 1.00 0.00 C ATOM 148 O PRO A 14 -3.988 7.091 -5.190 1.00 0.00 O ATOM 149 CB PRO A 14 -5.675 8.113 -2.777 1.00 0.00 C ATOM 150 CG PRO A 14 -5.903 9.320 -3.621 1.00 0.00 C ATOM 151 CD PRO A 14 -4.648 10.142 -3.517 1.00 0.00 C ATOM 0 HA PRO A 14 -3.731 7.406 -2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.269 7.268 -3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.958 8.295 -1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.102 9.041 -4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.768 9.883 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.443 10.681 -4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.719 10.886 -2.724 1.00 0.00 H new ATOM 159 N PRO A 15 -3.617 5.558 -3.582 1.00 0.00 N ATOM 160 CA PRO A 15 -3.345 4.457 -4.510 1.00 0.00 C ATOM 161 C PRO A 15 -4.596 4.007 -5.258 1.00 0.00 C ATOM 162 O PRO A 15 -5.650 3.802 -4.656 1.00 0.00 O ATOM 163 CB PRO A 15 -2.837 3.339 -3.597 1.00 0.00 C ATOM 164 CG PRO A 15 -3.435 3.637 -2.265 1.00 0.00 C ATOM 165 CD PRO A 15 -3.517 5.136 -2.174 1.00 0.00 C ATOM 0 HA PRO A 15 -2.637 4.745 -5.287 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.148 2.359 -3.960 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.748 3.331 -3.549 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.423 3.186 -2.171 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.821 3.230 -1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.384 5.457 -1.596 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.637 5.558 -1.689 1.00 0.00 H new ATOM 173 N ARG A 16 -4.471 3.855 -6.572 1.00 0.00 N ATOM 174 CA ARG A 16 -5.592 3.430 -7.402 1.00 0.00 C ATOM 175 C ARG A 16 -5.610 1.912 -7.555 1.00 0.00 C ATOM 176 O ARG A 16 -4.663 1.318 -8.072 1.00 0.00 O ATOM 177 CB ARG A 16 -5.514 4.091 -8.779 1.00 0.00 C ATOM 178 CG ARG A 16 -6.092 5.496 -8.814 1.00 0.00 C ATOM 179 CD ARG A 16 -7.604 5.481 -8.650 1.00 0.00 C ATOM 180 NE ARG A 16 -8.193 6.797 -8.883 1.00 0.00 N ATOM 181 CZ ARG A 16 -9.434 7.119 -8.535 1.00 0.00 C ATOM 182 NH1 ARG A 16 -10.213 6.224 -7.942 1.00 0.00 N ATOM 183 NH2 ARG A 16 -9.898 8.337 -8.780 1.00 0.00 N ATOM 0 H ARG A 16 -3.605 4.020 -7.085 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.514 3.739 -6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.472 4.128 -9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.045 3.471 -9.501 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.645 6.094 -8.020 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.832 5.974 -9.758 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.037 4.762 -9.345 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.856 5.144 -7.645 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.620 7.508 -9.338 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.860 5.286 -7.752 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.165 6.474 -7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.302 9.028 -9.236 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.851 8.583 -8.512 1.00 0.00 H new ATOM 197 N LEU A 17 -6.693 1.290 -7.102 1.00 0.00 N ATOM 198 CA LEU A 17 -6.835 -0.160 -7.188 1.00 0.00 C ATOM 199 C LEU A 17 -6.441 -0.664 -8.573 1.00 0.00 C ATOM 200 O LEU A 17 -7.010 -0.246 -9.580 1.00 0.00 O ATOM 201 CB LEU A 17 -8.274 -0.571 -6.873 1.00 0.00 C ATOM 202 CG LEU A 17 -8.658 -2.005 -7.238 1.00 0.00 C ATOM 203 CD1 LEU A 17 -7.899 -2.998 -6.371 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.159 -2.208 -7.095 1.00 0.00 C ATOM 0 H LEU A 17 -7.485 1.766 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.167 -0.610 -6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.445 -0.431 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.947 0.108 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.385 -2.180 -8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.185 -4.013 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.827 -2.869 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.140 -2.824 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.414 -3.234 -7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.456 -2.014 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.684 -1.521 -7.759 1.00 0.00 H new ATOM 216 N GLN A 18 -5.466 -1.566 -8.613 1.00 0.00 N ATOM 217 CA GLN A 18 -4.998 -2.129 -9.874 1.00 0.00 C ATOM 218 C GLN A 18 -5.939 -3.224 -10.364 1.00 0.00 C ATOM 219 O GLN A 18 -6.522 -3.958 -9.568 1.00 0.00 O ATOM 220 CB GLN A 18 -3.584 -2.690 -9.713 1.00 0.00 C ATOM 221 CG GLN A 18 -2.776 -2.683 -11.001 1.00 0.00 C ATOM 222 CD GLN A 18 -1.540 -3.557 -10.919 1.00 0.00 C ATOM 223 OE1 GLN A 18 -0.453 -2.999 -10.401 1.00 0.00 O flip ATOM 224 NE2 GLN A 18 -1.563 -4.722 -11.318 1.00 0.00 N flip ATOM 0 H GLN A 18 -4.985 -1.923 -7.787 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.982 -1.330 -10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.055 -2.108 -8.959 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.648 -3.712 -9.340 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.405 -3.026 -11.822 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.479 -1.660 -11.233 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.421 -5.110 -11.709 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.724 -5.299 -11.257 1.00 0.00 H new ATOM 233 N GLY A 19 -6.084 -3.327 -11.682 1.00 0.00 N ATOM 234 CA GLY A 19 -6.956 -4.335 -12.256 1.00 0.00 C ATOM 235 C GLY A 19 -8.182 -4.594 -11.403 1.00 0.00 C ATOM 236 O GLY A 19 -8.987 -3.692 -11.171 1.00 0.00 O ATOM 0 H GLY A 19 -5.613 -2.730 -12.362 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.269 -4.016 -13.250 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.400 -5.264 -12.380 1.00 0.00 H new ATOM 240 N ARG A 20 -8.326 -5.830 -10.937 1.00 0.00 N ATOM 241 CA ARG A 20 -9.465 -6.206 -10.108 1.00 0.00 C ATOM 242 C ARG A 20 -9.000 -6.742 -8.757 1.00 0.00 C ATOM 243 O ARG A 20 -8.012 -7.470 -8.657 1.00 0.00 O ATOM 244 CB ARG A 20 -10.316 -7.258 -10.820 1.00 0.00 C ATOM 245 CG ARG A 20 -11.073 -6.718 -12.022 1.00 0.00 C ATOM 246 CD ARG A 20 -12.046 -5.620 -11.621 1.00 0.00 C ATOM 247 NE ARG A 20 -13.156 -5.502 -12.562 1.00 0.00 N ATOM 248 CZ ARG A 20 -14.121 -6.408 -12.678 1.00 0.00 C ATOM 249 NH1 ARG A 20 -14.112 -7.492 -11.915 1.00 0.00 N ATOM 250 NH2 ARG A 20 -15.098 -6.230 -13.558 1.00 0.00 N ATOM 0 H ARG A 20 -7.668 -6.588 -11.119 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.069 -5.315 -9.938 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.672 -8.075 -11.144 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.029 -7.677 -10.110 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.365 -6.329 -12.754 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.617 -7.529 -12.505 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.436 -5.827 -10.625 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.516 -4.669 -11.564 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.193 -4.679 -13.163 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.363 -7.632 -11.237 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.854 -8.186 -12.006 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.109 -5.397 -14.146 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.838 -6.926 -13.646 1.00 0.00 H new ATOM 264 N PRO A 21 -9.727 -6.373 -7.692 1.00 0.00 N ATOM 265 CA PRO A 21 -9.408 -6.805 -6.328 1.00 0.00 C ATOM 266 C PRO A 21 -9.670 -8.292 -6.114 1.00 0.00 C ATOM 267 O PRO A 21 -10.196 -8.974 -6.995 1.00 0.00 O ATOM 268 CB PRO A 21 -10.351 -5.967 -5.460 1.00 0.00 C ATOM 269 CG PRO A 21 -11.495 -5.637 -6.355 1.00 0.00 C ATOM 270 CD PRO A 21 -10.917 -5.507 -7.737 1.00 0.00 C ATOM 0 HA PRO A 21 -8.353 -6.665 -6.094 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.682 -6.524 -4.583 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.859 -5.065 -5.097 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.254 -6.418 -6.322 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.978 -4.710 -6.045 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.623 -5.834 -8.500 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.654 -4.475 -7.967 1.00 0.00 H new ATOM 278 N LYS A 22 -9.300 -8.791 -4.940 1.00 0.00 N ATOM 279 CA LYS A 22 -9.496 -10.198 -4.609 1.00 0.00 C ATOM 280 C LYS A 22 -10.297 -10.347 -3.320 1.00 0.00 C ATOM 281 O LYS A 22 -10.683 -9.357 -2.700 1.00 0.00 O ATOM 282 CB LYS A 22 -8.145 -10.903 -4.468 1.00 0.00 C ATOM 283 CG LYS A 22 -7.207 -10.661 -5.638 1.00 0.00 C ATOM 284 CD LYS A 22 -7.410 -11.691 -6.737 1.00 0.00 C ATOM 285 CE LYS A 22 -6.904 -11.182 -8.078 1.00 0.00 C ATOM 286 NZ LYS A 22 -5.455 -11.467 -8.268 1.00 0.00 N ATOM 0 H LYS A 22 -8.862 -8.242 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.057 -10.662 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.663 -10.565 -3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.313 -11.975 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.375 -9.661 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.174 -10.696 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.888 -12.611 -6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.469 -11.937 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.474 -11.648 -8.882 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.075 -10.108 -8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.148 -11.105 -9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.908 -11.002 -7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.295 -12.494 -8.228 1.00 0.00 H new ATOM 300 N ALA A 23 -10.541 -11.591 -2.921 1.00 0.00 N ATOM 301 CA ALA A 23 -11.292 -11.869 -1.703 1.00 0.00 C ATOM 302 C ALA A 23 -10.534 -11.394 -0.469 1.00 0.00 C ATOM 303 O ALA A 23 -11.055 -10.618 0.333 1.00 0.00 O ATOM 304 CB ALA A 23 -11.595 -13.357 -1.598 1.00 0.00 C ATOM 0 H ALA A 23 -10.229 -12.422 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.232 -11.320 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.156 -13.550 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.185 -13.670 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.661 -13.918 -1.576 1.00 0.00 H new ATOM 310 N LYS A 24 -9.299 -11.863 -0.322 1.00 0.00 N ATOM 311 CA LYS A 24 -8.467 -11.486 0.815 1.00 0.00 C ATOM 312 C LYS A 24 -7.205 -10.767 0.350 1.00 0.00 C ATOM 313 O LYS A 24 -6.230 -10.663 1.093 1.00 0.00 O ATOM 314 CB LYS A 24 -8.090 -12.725 1.631 1.00 0.00 C ATOM 315 CG LYS A 24 -9.289 -13.515 2.125 1.00 0.00 C ATOM 316 CD LYS A 24 -8.925 -14.400 3.305 1.00 0.00 C ATOM 317 CE LYS A 24 -10.111 -14.603 4.236 1.00 0.00 C ATOM 318 NZ LYS A 24 -9.755 -15.443 5.413 1.00 0.00 N ATOM 0 H LYS A 24 -8.852 -12.505 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.041 -10.806 1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.464 -13.375 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.490 -12.417 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.084 -12.828 2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.680 -14.130 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.576 -15.367 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.100 -13.950 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.474 -13.634 4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.927 -15.074 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.590 -15.558 6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.432 -16.377 5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.994 -14.982 5.951 1.00 0.00 H new ATOM 332 N GLU A 25 -7.232 -10.271 -0.883 1.00 0.00 N ATOM 333 CA GLU A 25 -6.089 -9.562 -1.446 1.00 0.00 C ATOM 334 C GLU A 25 -6.548 -8.426 -2.356 1.00 0.00 C ATOM 335 O GLU A 25 -7.668 -8.441 -2.867 1.00 0.00 O ATOM 336 CB GLU A 25 -5.195 -10.527 -2.227 1.00 0.00 C ATOM 337 CG GLU A 25 -4.447 -11.513 -1.345 1.00 0.00 C ATOM 338 CD GLU A 25 -3.842 -12.658 -2.134 1.00 0.00 C ATOM 339 OE1 GLU A 25 -3.064 -12.386 -3.071 1.00 0.00 O ATOM 340 OE2 GLU A 25 -4.148 -13.826 -1.814 1.00 0.00 O ATOM 0 H GLU A 25 -8.032 -10.347 -1.511 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.517 -9.136 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.807 -11.081 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.474 -9.952 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.656 -10.988 -0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.129 -11.914 -0.595 1.00 0.00 H new ATOM 347 N ILE A 26 -5.675 -7.444 -2.553 1.00 0.00 N ATOM 348 CA ILE A 26 -5.989 -6.301 -3.401 1.00 0.00 C ATOM 349 C ILE A 26 -4.721 -5.660 -3.953 1.00 0.00 C ATOM 350 O ILE A 26 -3.772 -5.403 -3.213 1.00 0.00 O ATOM 351 CB ILE A 26 -6.798 -5.238 -2.636 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.988 -5.884 -1.925 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.270 -4.146 -3.585 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.837 -4.900 -1.151 1.00 0.00 C ATOM 0 H ILE A 26 -4.744 -7.417 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.591 -6.678 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.152 -4.784 -1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.612 -6.388 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.621 -6.650 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.840 -3.402 -3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.407 -3.669 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.901 -4.584 -4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.662 -5.428 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.227 -4.414 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.234 -4.148 -1.832 1.00 0.00 H new ATOM 366 N GLN A 27 -4.713 -5.403 -5.257 1.00 0.00 N ATOM 367 CA GLN A 27 -3.561 -4.790 -5.907 1.00 0.00 C ATOM 368 C GLN A 27 -3.738 -3.279 -6.018 1.00 0.00 C ATOM 369 O GLN A 27 -4.844 -2.788 -6.244 1.00 0.00 O ATOM 370 CB GLN A 27 -3.352 -5.394 -7.297 1.00 0.00 C ATOM 371 CG GLN A 27 -2.756 -6.792 -7.270 1.00 0.00 C ATOM 372 CD GLN A 27 -3.045 -7.574 -8.536 1.00 0.00 C ATOM 373 OE1 GLN A 27 -2.152 -7.813 -9.349 1.00 0.00 O ATOM 374 NE2 GLN A 27 -4.298 -7.978 -8.710 1.00 0.00 N ATOM 0 H GLN A 27 -5.491 -5.610 -5.884 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.681 -4.990 -5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.309 -5.426 -7.818 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.697 -4.740 -7.873 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.677 -6.720 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.153 -7.336 -6.413 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.007 -7.758 -8.010 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.552 -8.509 -9.543 1.00 0.00 H new ATOM 383 N LEU A 28 -2.641 -2.547 -5.857 1.00 0.00 N ATOM 384 CA LEU A 28 -2.675 -1.091 -5.938 1.00 0.00 C ATOM 385 C LEU A 28 -1.579 -0.571 -6.864 1.00 0.00 C ATOM 386 O LEU A 28 -0.590 -1.259 -7.118 1.00 0.00 O ATOM 387 CB LEU A 28 -2.514 -0.479 -4.545 1.00 0.00 C ATOM 388 CG LEU A 28 -3.537 -0.917 -3.497 1.00 0.00 C ATOM 389 CD1 LEU A 28 -2.933 -0.854 -2.103 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.787 -0.053 -3.579 1.00 0.00 C ATOM 0 H LEU A 28 -1.718 -2.938 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.641 -0.797 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.518 -0.723 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.562 0.606 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.820 -1.950 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.676 -1.169 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.068 -1.515 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.621 0.168 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.505 -0.379 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.521 0.989 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.232 -0.149 -4.569 1.00 0.00 H new ATOM 402 N ARG A 29 -1.762 0.646 -7.364 1.00 0.00 N ATOM 403 CA ARG A 29 -0.789 1.258 -8.260 1.00 0.00 C ATOM 404 C ARG A 29 -0.806 2.778 -8.125 1.00 0.00 C ATOM 405 O ARG A 29 -1.723 3.444 -8.606 1.00 0.00 O ATOM 406 CB ARG A 29 -1.078 0.861 -9.709 1.00 0.00 C ATOM 407 CG ARG A 29 -0.316 1.688 -10.731 1.00 0.00 C ATOM 408 CD ARG A 29 -0.218 0.969 -12.068 1.00 0.00 C ATOM 409 NE ARG A 29 -1.339 1.291 -12.946 1.00 0.00 N ATOM 410 CZ ARG A 29 -1.715 0.528 -13.967 1.00 0.00 C ATOM 411 NH1 ARG A 29 -1.063 -0.594 -14.236 1.00 0.00 N ATOM 412 NH2 ARG A 29 -2.746 0.888 -14.721 1.00 0.00 N ATOM 0 H ARG A 29 -2.575 1.228 -7.164 1.00 0.00 H new ATOM 0 HA ARG A 29 0.201 0.897 -7.982 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.827 -0.191 -9.845 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.147 0.961 -9.898 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.814 2.648 -10.868 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.685 1.899 -10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.716 1.242 -12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.187 -0.107 -11.899 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.862 2.148 -12.766 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.270 -0.874 -13.659 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.354 -1.177 -15.020 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.250 1.751 -14.517 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.034 0.302 -15.505 1.00 0.00 H new ATOM 426 N TRP A 30 0.214 3.319 -7.469 1.00 0.00 N ATOM 427 CA TRP A 30 0.316 4.761 -7.270 1.00 0.00 C ATOM 428 C TRP A 30 1.555 5.319 -7.961 1.00 0.00 C ATOM 429 O TRP A 30 2.277 4.593 -8.643 1.00 0.00 O ATOM 430 CB TRP A 30 0.358 5.089 -5.777 1.00 0.00 C ATOM 431 CG TRP A 30 1.498 4.435 -5.057 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.712 4.990 -4.768 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.531 3.101 -4.536 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.497 4.082 -4.099 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.795 2.916 -3.944 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.614 2.047 -4.511 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.164 1.719 -3.336 1.00 0.00 C ATOM 438 CZ3 TRP A 30 0.982 0.859 -3.907 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.248 0.703 -3.326 1.00 0.00 C ATOM 0 H TRP A 30 0.982 2.782 -7.066 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.565 5.227 -7.712 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.430 6.169 -5.652 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.580 4.777 -5.317 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.011 5.995 -5.027 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.448 4.249 -3.771 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.364 2.158 -4.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.139 1.597 -2.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.282 0.037 -3.882 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.505 -0.237 -2.861 1.00 0.00 H new ATOM 450 N GLY A 31 1.797 6.614 -7.779 1.00 0.00 N ATOM 451 CA GLY A 31 2.950 7.247 -8.391 1.00 0.00 C ATOM 452 C GLY A 31 3.651 8.207 -7.451 1.00 0.00 C ATOM 453 O GLY A 31 3.202 8.454 -6.332 1.00 0.00 O ATOM 0 H GLY A 31 1.214 7.236 -7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.654 6.479 -8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.634 7.785 -9.285 1.00 0.00 H new ATOM 457 N PRO A 32 4.782 8.767 -7.907 1.00 0.00 N ATOM 458 CA PRO A 32 5.571 9.714 -7.114 1.00 0.00 C ATOM 459 C PRO A 32 4.864 11.053 -6.937 1.00 0.00 C ATOM 460 O PRO A 32 4.230 11.574 -7.854 1.00 0.00 O ATOM 461 CB PRO A 32 6.849 9.890 -7.939 1.00 0.00 C ATOM 462 CG PRO A 32 6.442 9.575 -9.337 1.00 0.00 C ATOM 463 CD PRO A 32 5.376 8.520 -9.231 1.00 0.00 C ATOM 0 HA PRO A 32 5.747 9.349 -6.102 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.236 10.906 -7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.638 9.220 -7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.063 10.463 -9.842 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.291 9.215 -9.919 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.637 8.614 -10.027 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.795 7.516 -9.302 1.00 0.00 H new ATOM 471 N PRO A 33 4.973 11.626 -5.729 1.00 0.00 N ATOM 472 CA PRO A 33 4.351 12.913 -5.403 1.00 0.00 C ATOM 473 C PRO A 33 5.019 14.079 -6.125 1.00 0.00 C ATOM 474 O PRO A 33 6.092 13.928 -6.710 1.00 0.00 O ATOM 475 CB PRO A 33 4.555 13.034 -3.891 1.00 0.00 C ATOM 476 CG PRO A 33 5.754 12.198 -3.603 1.00 0.00 C ATOM 477 CD PRO A 33 5.714 11.062 -4.588 1.00 0.00 C ATOM 0 HA PRO A 33 3.306 12.949 -5.710 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.715 14.071 -3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.683 12.677 -3.344 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.670 12.778 -3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.734 11.827 -2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.716 10.745 -4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.210 10.189 -4.174 1.00 0.00 H new ATOM 485 N LEU A 34 4.377 15.241 -6.081 1.00 0.00 N ATOM 486 CA LEU A 34 4.909 16.434 -6.731 1.00 0.00 C ATOM 487 C LEU A 34 5.874 17.172 -5.808 1.00 0.00 C ATOM 488 O LEU A 34 6.866 17.745 -6.260 1.00 0.00 O ATOM 489 CB LEU A 34 3.769 17.365 -7.145 1.00 0.00 C ATOM 490 CG LEU A 34 3.181 17.129 -8.537 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.728 17.573 -8.585 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.999 17.860 -9.592 1.00 0.00 C ATOM 0 H LEU A 34 3.488 15.383 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 34 5.454 16.120 -7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.967 17.272 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.129 18.393 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 34 3.220 16.061 -8.751 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.327 17.397 -9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.150 17.005 -7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.664 18.635 -8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.566 17.681 -10.576 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.992 18.929 -9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.025 17.494 -9.575 1.00 0.00 H new ATOM 504 N VAL A 35 5.578 17.152 -4.513 1.00 0.00 N ATOM 505 CA VAL A 35 6.420 17.817 -3.526 1.00 0.00 C ATOM 506 C VAL A 35 7.257 16.807 -2.749 1.00 0.00 C ATOM 507 O VAL A 35 6.801 16.239 -1.757 1.00 0.00 O ATOM 508 CB VAL A 35 5.579 18.641 -2.533 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.465 19.588 -1.739 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.489 19.407 -3.268 1.00 0.00 C ATOM 0 H VAL A 35 4.761 16.682 -4.122 1.00 0.00 H new ATOM 0 HA VAL A 35 7.081 18.488 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 35 5.102 17.956 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.853 20.161 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.205 19.013 -1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.973 20.269 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.904 19.984 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.944 20.082 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.837 18.704 -3.787 1.00 0.00 H new ATOM 520 N ASP A 36 8.485 16.588 -3.206 1.00 0.00 N ATOM 521 CA ASP A 36 9.388 15.648 -2.554 1.00 0.00 C ATOM 522 C ASP A 36 10.250 16.355 -1.512 1.00 0.00 C ATOM 523 O ASP A 36 11.259 15.818 -1.058 1.00 0.00 O ATOM 524 CB ASP A 36 10.279 14.961 -3.589 1.00 0.00 C ATOM 525 CG ASP A 36 11.258 15.920 -4.238 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.612 16.932 -3.597 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.671 15.659 -5.387 1.00 0.00 O ATOM 0 H ASP A 36 8.878 17.049 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 36 8.784 14.894 -2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.831 14.152 -3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.654 14.508 -4.359 1.00 0.00 H new ATOM 532 N GLY A 37 9.844 17.565 -1.139 1.00 0.00 N ATOM 533 CA GLY A 37 10.591 18.327 -0.155 1.00 0.00 C ATOM 534 C GLY A 37 11.948 18.766 -0.669 1.00 0.00 C ATOM 535 O GLY A 37 12.826 19.131 0.111 1.00 0.00 O ATOM 0 H GLY A 37 9.012 18.031 -1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.014 19.205 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.724 17.723 0.743 1.00 0.00 H new ATOM 539 N GLY A 38 12.121 18.728 -1.987 1.00 0.00 N ATOM 540 CA GLY A 38 13.383 19.125 -2.581 1.00 0.00 C ATOM 541 C GLY A 38 14.308 17.948 -2.819 1.00 0.00 C ATOM 542 O GLY A 38 15.173 17.996 -3.693 1.00 0.00 O ATOM 0 H GLY A 38 11.409 18.429 -2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.192 19.630 -3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.877 19.845 -1.929 1.00 0.00 H new ATOM 546 N SER A 39 14.127 16.888 -2.037 1.00 0.00 N ATOM 547 CA SER A 39 14.956 15.695 -2.163 1.00 0.00 C ATOM 548 C SER A 39 14.216 14.597 -2.920 1.00 0.00 C ATOM 549 O SER A 39 13.004 14.426 -2.790 1.00 0.00 O ATOM 550 CB SER A 39 15.370 15.187 -0.780 1.00 0.00 C ATOM 551 OG SER A 39 16.630 14.542 -0.830 1.00 0.00 O ATOM 0 H SER A 39 13.414 16.831 -1.310 1.00 0.00 H new ATOM 0 HA SER A 39 15.850 15.962 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.413 16.022 -0.080 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.618 14.494 -0.404 1.00 0.00 H new ATOM 0 HG SER A 39 16.511 13.579 -0.690 1.00 0.00 H new ATOM 557 N PRO A 40 14.962 13.833 -3.732 1.00 0.00 N ATOM 558 CA PRO A 40 14.399 12.737 -4.526 1.00 0.00 C ATOM 559 C PRO A 40 13.960 11.560 -3.662 1.00 0.00 C ATOM 560 O PRO A 40 14.779 10.929 -2.993 1.00 0.00 O ATOM 561 CB PRO A 40 15.559 12.327 -5.438 1.00 0.00 C ATOM 562 CG PRO A 40 16.785 12.738 -4.698 1.00 0.00 C ATOM 563 CD PRO A 40 16.413 13.980 -3.936 1.00 0.00 C ATOM 0 HA PRO A 40 13.502 13.044 -5.065 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.553 11.254 -5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.496 12.823 -6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.115 11.950 -4.022 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.608 12.934 -5.385 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.947 14.045 -2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.650 14.883 -4.499 1.00 0.00 H new ATOM 571 N ILE A 41 12.663 11.271 -3.680 1.00 0.00 N ATOM 572 CA ILE A 41 12.117 10.168 -2.898 1.00 0.00 C ATOM 573 C ILE A 41 13.078 8.985 -2.869 1.00 0.00 C ATOM 574 O ILE A 41 13.716 8.666 -3.872 1.00 0.00 O ATOM 575 CB ILE A 41 10.760 9.700 -3.458 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.770 10.866 -3.498 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.208 8.557 -2.619 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.461 11.443 -2.135 1.00 0.00 C ATOM 0 H ILE A 41 11.972 11.784 -4.227 1.00 0.00 H new ATOM 0 HA ILE A 41 11.974 10.540 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 41 10.908 9.340 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.174 11.654 -4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.842 10.528 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.249 8.237 -3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.907 7.721 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.071 8.893 -1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.753 12.265 -2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.027 10.669 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.380 11.812 -1.679 1.00 0.00 H new ATOM 590 N SER A 42 13.175 8.337 -1.713 1.00 0.00 N ATOM 591 CA SER A 42 14.060 7.189 -1.552 1.00 0.00 C ATOM 592 C SER A 42 13.257 5.904 -1.377 1.00 0.00 C ATOM 593 O SER A 42 13.636 4.848 -1.886 1.00 0.00 O ATOM 594 CB SER A 42 14.982 7.395 -0.348 1.00 0.00 C ATOM 595 OG SER A 42 16.023 8.307 -0.653 1.00 0.00 O ATOM 0 H SER A 42 12.652 8.587 -0.874 1.00 0.00 H new ATOM 0 HA SER A 42 14.665 7.099 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.404 7.768 0.497 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.409 6.439 -0.045 1.00 0.00 H new ATOM 0 HG SER A 42 16.597 8.423 0.133 1.00 0.00 H new ATOM 601 N CYS A 43 12.146 6.001 -0.656 1.00 0.00 N ATOM 602 CA CYS A 43 11.288 4.847 -0.413 1.00 0.00 C ATOM 603 C CYS A 43 9.887 5.287 -0.003 1.00 0.00 C ATOM 604 O CYS A 43 9.712 6.331 0.626 1.00 0.00 O ATOM 605 CB CYS A 43 11.893 3.955 0.673 1.00 0.00 C ATOM 606 SG CYS A 43 13.226 2.882 0.088 1.00 0.00 S ATOM 0 H CYS A 43 11.818 6.867 -0.229 1.00 0.00 H new ATOM 0 HA CYS A 43 11.214 4.279 -1.341 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.275 4.586 1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.104 3.336 1.101 1.00 0.00 H new ATOM 0 HG CYS A 43 13.917 3.504 -0.821 1.00 0.00 H new ATOM 612 N TYR A 44 8.891 4.486 -0.366 1.00 0.00 N ATOM 613 CA TYR A 44 7.504 4.796 -0.040 1.00 0.00 C ATOM 614 C TYR A 44 6.969 3.842 1.025 1.00 0.00 C ATOM 615 O TYR A 44 7.681 2.954 1.493 1.00 0.00 O ATOM 616 CB TYR A 44 6.633 4.717 -1.295 1.00 0.00 C ATOM 617 CG TYR A 44 6.942 5.790 -2.314 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.428 7.074 -2.178 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.749 5.521 -3.413 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.706 8.057 -3.108 1.00 0.00 C ATOM 621 CE2 TYR A 44 8.034 6.498 -4.346 1.00 0.00 C ATOM 622 CZ TYR A 44 7.510 7.764 -4.190 1.00 0.00 C ATOM 623 OH TYR A 44 7.792 8.742 -5.117 1.00 0.00 O ATOM 0 H TYR A 44 9.018 3.618 -0.886 1.00 0.00 H new ATOM 0 HA TYR A 44 7.468 5.811 0.355 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.765 3.739 -1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.585 4.794 -1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.800 7.307 -1.331 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.160 4.530 -3.539 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.296 9.049 -2.989 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.664 6.272 -5.194 1.00 0.00 H new ATOM 0 HH TYR A 44 8.547 8.458 -5.673 1.00 0.00 H new ATOM 633 N SER A 45 5.709 4.034 1.402 1.00 0.00 N ATOM 634 CA SER A 45 5.077 3.194 2.413 1.00 0.00 C ATOM 635 C SER A 45 3.557 3.258 2.300 1.00 0.00 C ATOM 636 O SER A 45 2.982 4.329 2.102 1.00 0.00 O ATOM 637 CB SER A 45 5.515 3.629 3.813 1.00 0.00 C ATOM 638 OG SER A 45 4.747 2.980 4.812 1.00 0.00 O ATOM 0 H SER A 45 5.106 4.764 1.023 1.00 0.00 H new ATOM 0 HA SER A 45 5.393 2.164 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.571 3.399 3.955 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.408 4.709 3.912 1.00 0.00 H new ATOM 0 HG SER A 45 5.289 2.868 5.621 1.00 0.00 H new ATOM 644 N VAL A 46 2.912 2.103 2.428 1.00 0.00 N ATOM 645 CA VAL A 46 1.458 2.027 2.342 1.00 0.00 C ATOM 646 C VAL A 46 0.854 1.548 3.657 1.00 0.00 C ATOM 647 O VAL A 46 1.160 0.453 4.129 1.00 0.00 O ATOM 648 CB VAL A 46 1.012 1.081 1.210 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.504 0.972 1.172 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.554 1.560 -0.128 1.00 0.00 C ATOM 0 H VAL A 46 3.373 1.208 2.591 1.00 0.00 H new ATOM 0 HA VAL A 46 1.100 3.034 2.127 1.00 0.00 H new ATOM 0 HB VAL A 46 1.419 0.089 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.800 0.300 0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.865 0.580 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.935 1.958 0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.230 0.881 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.178 2.562 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.643 1.581 -0.093 1.00 0.00 H new ATOM 660 N GLU A 47 -0.006 2.375 4.243 1.00 0.00 N ATOM 661 CA GLU A 47 -0.653 2.035 5.505 1.00 0.00 C ATOM 662 C GLU A 47 -2.149 1.812 5.306 1.00 0.00 C ATOM 663 O GLU A 47 -2.915 2.764 5.162 1.00 0.00 O ATOM 664 CB GLU A 47 -0.423 3.142 6.536 1.00 0.00 C ATOM 665 CG GLU A 47 -1.087 2.873 7.876 1.00 0.00 C ATOM 666 CD GLU A 47 -0.586 3.795 8.971 1.00 0.00 C ATOM 667 OE1 GLU A 47 -0.980 4.980 8.974 1.00 0.00 O ATOM 668 OE2 GLU A 47 0.200 3.332 9.824 1.00 0.00 O ATOM 0 H GLU A 47 -0.271 3.284 3.864 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.211 1.109 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.649 3.267 6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.799 4.083 6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.166 2.990 7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.905 1.838 8.166 1.00 0.00 H new ATOM 675 N MET A 48 -2.557 0.547 5.300 1.00 0.00 N ATOM 676 CA MET A 48 -3.962 0.199 5.120 1.00 0.00 C ATOM 677 C MET A 48 -4.678 0.114 6.464 1.00 0.00 C ATOM 678 O MET A 48 -4.095 -0.306 7.464 1.00 0.00 O ATOM 679 CB MET A 48 -4.088 -1.133 4.377 1.00 0.00 C ATOM 680 CG MET A 48 -5.521 -1.622 4.246 1.00 0.00 C ATOM 681 SD MET A 48 -5.623 -3.384 3.879 1.00 0.00 S ATOM 682 CE MET A 48 -5.160 -4.087 5.460 1.00 0.00 C ATOM 0 H MET A 48 -1.936 -0.253 5.418 1.00 0.00 H new ATOM 0 HA MET A 48 -4.432 0.984 4.527 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.657 -1.027 3.382 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.501 -1.888 4.900 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.057 -1.416 5.173 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.021 -1.061 3.457 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.345 -4.796 5.318 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.836 -3.291 6.131 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.017 -4.602 5.894 1.00 0.00 H new ATOM 692 N SER A 49 -5.945 0.516 6.481 1.00 0.00 N ATOM 693 CA SER A 49 -6.739 0.489 7.704 1.00 0.00 C ATOM 694 C SER A 49 -8.194 0.148 7.400 1.00 0.00 C ATOM 695 O SER A 49 -8.805 0.687 6.477 1.00 0.00 O ATOM 696 CB SER A 49 -6.659 1.840 8.419 1.00 0.00 C ATOM 697 OG SER A 49 -7.840 2.096 9.159 1.00 0.00 O ATOM 0 H SER A 49 -6.443 0.864 5.662 1.00 0.00 H new ATOM 0 HA SER A 49 -6.331 -0.284 8.355 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.798 1.851 9.087 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.505 2.633 7.688 1.00 0.00 H new ATOM 0 HG SER A 49 -7.763 2.964 9.607 1.00 0.00 H new ATOM 703 N PRO A 50 -8.764 -0.771 8.194 1.00 0.00 N ATOM 704 CA PRO A 50 -10.154 -1.206 8.030 1.00 0.00 C ATOM 705 C PRO A 50 -11.151 -0.116 8.410 1.00 0.00 C ATOM 706 O PRO A 50 -11.454 0.078 9.588 1.00 0.00 O ATOM 707 CB PRO A 50 -10.270 -2.394 8.989 1.00 0.00 C ATOM 708 CG PRO A 50 -9.225 -2.149 10.023 1.00 0.00 C ATOM 709 CD PRO A 50 -8.095 -1.455 9.313 1.00 0.00 C ATOM 0 HA PRO A 50 -10.384 -1.453 6.994 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.263 -2.448 9.435 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.101 -3.338 8.472 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.614 -1.532 10.833 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.890 -3.086 10.468 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.583 -0.749 9.967 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.346 -2.164 8.960 1.00 0.00 H new ATOM 717 N ILE A 51 -11.658 0.592 7.406 1.00 0.00 N ATOM 718 CA ILE A 51 -12.622 1.660 7.636 1.00 0.00 C ATOM 719 C ILE A 51 -13.480 1.372 8.863 1.00 0.00 C ATOM 720 O ILE A 51 -13.791 2.274 9.640 1.00 0.00 O ATOM 721 CB ILE A 51 -13.541 1.861 6.417 1.00 0.00 C ATOM 722 CG1 ILE A 51 -14.834 2.563 6.835 1.00 0.00 C ATOM 723 CG2 ILE A 51 -13.847 0.525 5.758 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.496 3.331 5.713 1.00 0.00 C ATOM 0 H ILE A 51 -11.417 0.445 6.426 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.048 2.572 7.803 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.025 2.492 5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.534 1.820 7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.617 3.248 7.654 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.498 0.684 4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.918 0.060 5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.345 -0.128 6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.407 3.802 6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.814 4.098 5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.745 2.647 4.902 1.00 0.00 H new ATOM 736 N GLU A 52 -13.857 0.109 9.031 1.00 0.00 N ATOM 737 CA GLU A 52 -14.679 -0.298 10.165 1.00 0.00 C ATOM 738 C GLU A 52 -14.038 0.130 11.482 1.00 0.00 C ATOM 739 O GLU A 52 -14.687 0.738 12.334 1.00 0.00 O ATOM 740 CB GLU A 52 -14.887 -1.814 10.155 1.00 0.00 C ATOM 741 CG GLU A 52 -13.612 -2.601 9.906 1.00 0.00 C ATOM 742 CD GLU A 52 -13.858 -4.095 9.812 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.691 -4.609 10.586 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.217 -4.749 8.963 1.00 0.00 O ATOM 0 H GLU A 52 -13.607 -0.650 8.397 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.647 0.194 10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.312 -2.120 11.111 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.616 -2.067 9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.150 -2.254 8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.904 -2.403 10.711 1.00 0.00 H new ATOM 751 N LYS A 53 -12.759 -0.194 11.644 1.00 0.00 N ATOM 752 CA LYS A 53 -12.028 0.156 12.856 1.00 0.00 C ATOM 753 C LYS A 53 -10.673 0.769 12.516 1.00 0.00 C ATOM 754 O LYS A 53 -10.112 0.507 11.452 1.00 0.00 O ATOM 755 CB LYS A 53 -11.834 -1.081 13.734 1.00 0.00 C ATOM 756 CG LYS A 53 -10.731 -2.006 13.248 1.00 0.00 C ATOM 757 CD LYS A 53 -10.672 -3.283 14.069 1.00 0.00 C ATOM 758 CE LYS A 53 -9.809 -4.339 13.395 1.00 0.00 C ATOM 759 NZ LYS A 53 -10.582 -5.137 12.403 1.00 0.00 N ATOM 0 H LYS A 53 -12.207 -0.699 10.950 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.614 0.894 13.404 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.607 -0.762 14.751 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.771 -1.637 13.776 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.898 -2.254 12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.772 -1.491 13.305 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.272 -3.062 15.059 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.680 -3.672 14.212 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.968 -3.857 12.897 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.393 -5.005 14.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.959 -5.845 11.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.370 -5.618 12.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.958 -4.506 11.667 1.00 0.00 H new ATOM 773 N ASP A 54 -10.153 1.584 13.426 1.00 0.00 N ATOM 774 CA ASP A 54 -8.862 2.232 13.224 1.00 0.00 C ATOM 775 C ASP A 54 -7.718 1.253 13.471 1.00 0.00 C ATOM 776 O ASP A 54 -7.199 1.158 14.582 1.00 0.00 O ATOM 777 CB ASP A 54 -8.723 3.441 14.150 1.00 0.00 C ATOM 778 CG ASP A 54 -7.542 4.318 13.784 1.00 0.00 C ATOM 779 OD1 ASP A 54 -6.433 4.067 14.301 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.726 5.256 12.980 1.00 0.00 O ATOM 0 H ASP A 54 -10.605 1.812 14.311 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.811 2.569 12.189 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.637 4.033 14.110 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.611 3.097 15.178 1.00 0.00 H new ATOM 785 N GLU A 55 -7.332 0.527 12.426 1.00 0.00 N ATOM 786 CA GLU A 55 -6.251 -0.446 12.531 1.00 0.00 C ATOM 787 C GLU A 55 -5.238 -0.258 11.405 1.00 0.00 C ATOM 788 O GLU A 55 -5.023 -1.142 10.576 1.00 0.00 O ATOM 789 CB GLU A 55 -6.811 -1.870 12.496 1.00 0.00 C ATOM 790 CG GLU A 55 -5.970 -2.874 13.267 1.00 0.00 C ATOM 791 CD GLU A 55 -6.552 -4.274 13.227 1.00 0.00 C ATOM 792 OE1 GLU A 55 -6.408 -4.945 12.184 1.00 0.00 O ATOM 793 OE2 GLU A 55 -7.150 -4.697 14.237 1.00 0.00 O ATOM 0 H GLU A 55 -7.751 0.594 11.499 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.744 -0.286 13.483 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.821 -1.864 12.906 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.890 -2.195 11.459 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.962 -2.892 12.853 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.884 -2.550 14.304 1.00 0.00 H new ATOM 800 N PRO A 56 -4.601 0.922 11.374 1.00 0.00 N ATOM 801 CA PRO A 56 -3.601 1.255 10.356 1.00 0.00 C ATOM 802 C PRO A 56 -2.314 0.454 10.523 1.00 0.00 C ATOM 803 O PRO A 56 -1.690 0.479 11.584 1.00 0.00 O ATOM 804 CB PRO A 56 -3.337 2.745 10.591 1.00 0.00 C ATOM 805 CG PRO A 56 -3.681 2.969 12.023 1.00 0.00 C ATOM 806 CD PRO A 56 -4.808 2.022 12.331 1.00 0.00 C ATOM 0 HA PRO A 56 -3.952 1.023 9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.296 2.999 10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.949 3.364 9.935 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.822 2.776 12.666 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.982 4.003 12.195 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.767 1.671 13.362 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.780 2.496 12.194 1.00 0.00 H new ATOM 814 N ARG A 57 -1.922 -0.255 9.469 1.00 0.00 N ATOM 815 CA ARG A 57 -0.710 -1.064 9.501 1.00 0.00 C ATOM 816 C ARG A 57 0.029 -0.988 8.168 1.00 0.00 C ATOM 817 O ARG A 57 -0.588 -1.020 7.103 1.00 0.00 O ATOM 818 CB ARG A 57 -1.051 -2.519 9.825 1.00 0.00 C ATOM 819 CG ARG A 57 -2.059 -3.136 8.870 1.00 0.00 C ATOM 820 CD ARG A 57 -1.372 -3.802 7.688 1.00 0.00 C ATOM 821 NE ARG A 57 -0.918 -5.153 8.009 1.00 0.00 N ATOM 822 CZ ARG A 57 -1.725 -6.207 8.060 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.020 -6.067 7.812 1.00 0.00 N ATOM 824 NH2 ARG A 57 -1.236 -7.404 8.359 1.00 0.00 N ATOM 0 H ARG A 57 -2.426 -0.285 8.583 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.059 -0.668 10.281 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.136 -3.111 9.806 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.444 -2.574 10.840 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.663 -3.871 9.402 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.739 -2.365 8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.060 -3.842 6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.520 -3.198 7.376 1.00 0.00 H new ATOM 0 HE ARG A 57 0.073 -5.295 8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.399 -5.148 7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.637 -6.878 7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.240 -7.515 8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.856 -8.213 8.398 1.00 0.00 H new ATOM 838 N GLU A 58 1.352 -0.887 8.235 1.00 0.00 N ATOM 839 CA GLU A 58 2.174 -0.806 7.033 1.00 0.00 C ATOM 840 C GLU A 58 2.109 -2.108 6.241 1.00 0.00 C ATOM 841 O GLU A 58 2.902 -3.023 6.463 1.00 0.00 O ATOM 842 CB GLU A 58 3.626 -0.491 7.401 1.00 0.00 C ATOM 843 CG GLU A 58 4.593 -0.634 6.238 1.00 0.00 C ATOM 844 CD GLU A 58 6.041 -0.479 6.661 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.332 0.445 7.450 1.00 0.00 O ATOM 846 OE2 GLU A 58 6.882 -1.280 6.204 1.00 0.00 O ATOM 0 H GLU A 58 1.878 -0.859 9.108 1.00 0.00 H new ATOM 0 HA GLU A 58 1.783 -0.002 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.682 0.527 7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.940 -1.154 8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.456 -1.611 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.358 0.114 5.481 1.00 0.00 H new ATOM 853 N VAL A 59 1.159 -2.184 5.314 1.00 0.00 N ATOM 854 CA VAL A 59 0.990 -3.373 4.488 1.00 0.00 C ATOM 855 C VAL A 59 2.168 -3.554 3.538 1.00 0.00 C ATOM 856 O VAL A 59 2.549 -4.678 3.211 1.00 0.00 O ATOM 857 CB VAL A 59 -0.312 -3.305 3.667 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.518 -3.563 4.556 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.431 -1.959 2.968 1.00 0.00 C ATOM 0 H VAL A 59 0.495 -1.436 5.117 1.00 0.00 H new ATOM 0 HA VAL A 59 0.940 -4.225 5.166 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.281 -4.083 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.428 -3.511 3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.434 -4.553 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.557 -2.810 5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.356 -1.928 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.440 -1.162 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.418 -1.821 2.298 1.00 0.00 H new ATOM 869 N TYR A 60 2.743 -2.440 3.099 1.00 0.00 N ATOM 870 CA TYR A 60 3.878 -2.475 2.184 1.00 0.00 C ATOM 871 C TYR A 60 4.847 -1.333 2.475 1.00 0.00 C ATOM 872 O TYR A 60 4.475 -0.328 3.079 1.00 0.00 O ATOM 873 CB TYR A 60 3.396 -2.393 0.735 1.00 0.00 C ATOM 874 CG TYR A 60 4.519 -2.353 -0.276 1.00 0.00 C ATOM 875 CD1 TYR A 60 5.159 -1.159 -0.585 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.940 -3.509 -0.922 1.00 0.00 C ATOM 877 CE1 TYR A 60 6.185 -1.118 -1.509 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.967 -3.477 -1.846 1.00 0.00 C ATOM 879 CZ TYR A 60 6.586 -2.279 -2.136 1.00 0.00 C ATOM 880 OH TYR A 60 7.609 -2.242 -3.056 1.00 0.00 O ATOM 0 H TYR A 60 2.442 -1.502 3.362 1.00 0.00 H new ATOM 0 HA TYR A 60 4.402 -3.419 2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.759 -3.252 0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.780 -1.502 0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.849 -0.248 -0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.456 -4.448 -0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.671 -0.181 -1.739 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.283 -4.385 -2.338 1.00 0.00 H new ATOM 0 HH TYR A 60 7.769 -3.144 -3.404 1.00 0.00 H new ATOM 890 N GLN A 61 6.092 -1.496 2.038 1.00 0.00 N ATOM 891 CA GLN A 61 7.115 -0.479 2.250 1.00 0.00 C ATOM 892 C GLN A 61 8.371 -0.793 1.443 1.00 0.00 C ATOM 893 O GLN A 61 9.068 -1.769 1.716 1.00 0.00 O ATOM 894 CB GLN A 61 7.462 -0.377 3.737 1.00 0.00 C ATOM 895 CG GLN A 61 8.411 0.765 4.063 1.00 0.00 C ATOM 896 CD GLN A 61 8.576 0.978 5.555 1.00 0.00 C ATOM 897 OE1 GLN A 61 7.873 1.967 6.093 1.00 0.00 O flip ATOM 898 NE2 GLN A 61 9.328 0.261 6.216 1.00 0.00 N flip ATOM 0 H GLN A 61 6.416 -2.322 1.535 1.00 0.00 H new ATOM 0 HA GLN A 61 6.717 0.477 1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.543 -0.249 4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.911 -1.316 4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.385 0.561 3.619 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.039 1.683 3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.849 -0.488 5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.429 0.416 7.219 1.00 0.00 H new ATOM 907 N GLY A 62 8.653 0.042 0.448 1.00 0.00 N ATOM 908 CA GLY A 62 9.824 -0.164 -0.384 1.00 0.00 C ATOM 909 C GLY A 62 10.199 1.074 -1.174 1.00 0.00 C ATOM 910 O GLY A 62 10.193 2.184 -0.642 1.00 0.00 O ATOM 0 H GLY A 62 8.091 0.858 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.665 -0.459 0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.636 -0.988 -1.073 1.00 0.00 H new ATOM 914 N SER A 63 10.528 0.884 -2.448 1.00 0.00 N ATOM 915 CA SER A 63 10.913 1.994 -3.312 1.00 0.00 C ATOM 916 C SER A 63 9.996 2.078 -4.529 1.00 0.00 C ATOM 917 O SER A 63 9.916 3.114 -5.188 1.00 0.00 O ATOM 918 CB SER A 63 12.366 1.836 -3.764 1.00 0.00 C ATOM 919 OG SER A 63 12.560 0.603 -4.434 1.00 0.00 O ATOM 0 H SER A 63 10.536 -0.028 -2.905 1.00 0.00 H new ATOM 0 HA SER A 63 10.816 2.917 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.636 2.659 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.027 1.892 -2.899 1.00 0.00 H new ATOM 0 HG SER A 63 13.496 0.527 -4.714 1.00 0.00 H new ATOM 925 N GLU A 64 9.307 0.979 -4.820 1.00 0.00 N ATOM 926 CA GLU A 64 8.397 0.928 -5.958 1.00 0.00 C ATOM 927 C GLU A 64 7.105 1.681 -5.656 1.00 0.00 C ATOM 928 O GLU A 64 6.886 2.136 -4.533 1.00 0.00 O ATOM 929 CB GLU A 64 8.081 -0.524 -6.323 1.00 0.00 C ATOM 930 CG GLU A 64 9.317 -1.393 -6.487 1.00 0.00 C ATOM 931 CD GLU A 64 10.358 -0.762 -7.390 1.00 0.00 C ATOM 932 OE1 GLU A 64 9.969 -0.160 -8.413 1.00 0.00 O ATOM 933 OE2 GLU A 64 11.562 -0.868 -7.074 1.00 0.00 O ATOM 0 H GLU A 64 9.362 0.113 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 64 8.888 1.409 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.445 -0.954 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.510 -0.540 -7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.757 -1.581 -5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.025 -2.360 -6.896 1.00 0.00 H new ATOM 940 N VAL A 65 6.250 1.809 -6.666 1.00 0.00 N ATOM 941 CA VAL A 65 4.979 2.505 -6.510 1.00 0.00 C ATOM 942 C VAL A 65 3.804 1.572 -6.777 1.00 0.00 C ATOM 943 O VAL A 65 2.713 2.017 -7.130 1.00 0.00 O ATOM 944 CB VAL A 65 4.883 3.717 -7.455 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.019 4.694 -7.189 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.890 3.262 -8.907 1.00 0.00 C ATOM 0 H VAL A 65 6.415 1.439 -7.602 1.00 0.00 H new ATOM 0 HA VAL A 65 4.934 2.854 -5.478 1.00 0.00 H new ATOM 0 HB VAL A 65 3.941 4.231 -7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.934 5.544 -7.866 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.964 5.045 -6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.974 4.194 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.822 4.131 -9.561 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.814 2.723 -9.115 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.039 2.605 -9.087 1.00 0.00 H new ATOM 956 N GLU A 66 4.036 0.274 -6.605 1.00 0.00 N ATOM 957 CA GLU A 66 2.995 -0.723 -6.828 1.00 0.00 C ATOM 958 C GLU A 66 3.228 -1.957 -5.960 1.00 0.00 C ATOM 959 O GLU A 66 4.328 -2.510 -5.932 1.00 0.00 O ATOM 960 CB GLU A 66 2.951 -1.125 -8.304 1.00 0.00 C ATOM 961 CG GLU A 66 4.311 -1.488 -8.877 1.00 0.00 C ATOM 962 CD GLU A 66 4.212 -2.161 -10.232 1.00 0.00 C ATOM 963 OE1 GLU A 66 3.474 -1.645 -11.097 1.00 0.00 O ATOM 964 OE2 GLU A 66 4.872 -3.202 -10.427 1.00 0.00 O ATOM 0 H GLU A 66 4.934 -0.111 -6.312 1.00 0.00 H new ATOM 0 HA GLU A 66 2.038 -0.280 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.278 -1.975 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.530 -0.303 -8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.916 -0.586 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.828 -2.151 -8.183 1.00 0.00 H new ATOM 971 N CYS A 67 2.186 -2.381 -5.254 1.00 0.00 N ATOM 972 CA CYS A 67 2.277 -3.548 -4.384 1.00 0.00 C ATOM 973 C CYS A 67 0.963 -4.323 -4.375 1.00 0.00 C ATOM 974 O CYS A 67 0.013 -3.965 -5.073 1.00 0.00 O ATOM 975 CB CYS A 67 2.642 -3.123 -2.961 1.00 0.00 C ATOM 976 SG CYS A 67 1.256 -2.455 -2.012 1.00 0.00 S ATOM 0 H CYS A 67 1.269 -1.935 -5.267 1.00 0.00 H new ATOM 0 HA CYS A 67 3.060 -4.199 -4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.051 -3.983 -2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.431 -2.373 -3.009 1.00 0.00 H new ATOM 0 HG CYS A 67 1.013 -1.237 -2.397 1.00 0.00 H new ATOM 982 N THR A 68 0.915 -5.388 -3.580 1.00 0.00 N ATOM 983 CA THR A 68 -0.281 -6.215 -3.482 1.00 0.00 C ATOM 984 C THR A 68 -0.581 -6.578 -2.032 1.00 0.00 C ATOM 985 O THR A 68 0.214 -7.248 -1.372 1.00 0.00 O ATOM 986 CB THR A 68 -0.137 -7.510 -4.304 1.00 0.00 C ATOM 987 OG1 THR A 68 0.061 -7.193 -5.687 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.370 -8.387 -4.151 1.00 0.00 C ATOM 0 H THR A 68 1.691 -5.698 -2.995 1.00 0.00 H new ATOM 0 HA THR A 68 -1.106 -5.627 -3.885 1.00 0.00 H new ATOM 0 HB THR A 68 0.728 -8.058 -3.930 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.153 -8.021 -6.203 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.246 -9.296 -4.740 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.501 -8.650 -3.101 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.248 -7.845 -4.502 1.00 0.00 H new ATOM 996 N VAL A 69 -1.733 -6.132 -1.542 1.00 0.00 N ATOM 997 CA VAL A 69 -2.139 -6.411 -0.170 1.00 0.00 C ATOM 998 C VAL A 69 -2.741 -7.806 -0.048 1.00 0.00 C ATOM 999 O VAL A 69 -3.198 -8.384 -1.034 1.00 0.00 O ATOM 1000 CB VAL A 69 -3.162 -5.377 0.335 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.213 -5.372 1.855 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.828 -3.992 -0.200 1.00 0.00 C ATOM 0 H VAL A 69 -2.402 -5.576 -2.075 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.240 -6.351 0.444 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.148 -5.657 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.942 -4.635 2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.504 -6.360 2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.230 -5.118 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.561 -3.274 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.834 -3.701 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.849 -4.008 -1.290 1.00 0.00 H new ATOM 1012 N SER A 70 -2.737 -8.343 1.168 1.00 0.00 N ATOM 1013 CA SER A 70 -3.280 -9.672 1.419 1.00 0.00 C ATOM 1014 C SER A 70 -3.737 -9.808 2.869 1.00 0.00 C ATOM 1015 O SER A 70 -3.571 -8.891 3.672 1.00 0.00 O ATOM 1016 CB SER A 70 -2.234 -10.742 1.100 1.00 0.00 C ATOM 1017 OG SER A 70 -1.334 -10.914 2.181 1.00 0.00 O ATOM 0 H SER A 70 -2.363 -7.877 1.995 1.00 0.00 H new ATOM 0 HA SER A 70 -4.144 -9.813 0.769 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.731 -11.687 0.883 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.681 -10.459 0.204 1.00 0.00 H new ATOM 0 HG SER A 70 -0.677 -11.604 1.953 1.00 0.00 H new ATOM 1023 N SER A 71 -4.313 -10.961 3.195 1.00 0.00 N ATOM 1024 CA SER A 71 -4.798 -11.217 4.546 1.00 0.00 C ATOM 1025 C SER A 71 -5.992 -10.326 4.873 1.00 0.00 C ATOM 1026 O SER A 71 -6.210 -9.958 6.028 1.00 0.00 O ATOM 1027 CB SER A 71 -3.680 -10.984 5.565 1.00 0.00 C ATOM 1028 OG SER A 71 -3.961 -11.639 6.789 1.00 0.00 O ATOM 0 H SER A 71 -4.455 -11.732 2.542 1.00 0.00 H new ATOM 0 HA SER A 71 -5.118 -12.258 4.599 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.735 -11.349 5.162 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.560 -9.915 5.740 1.00 0.00 H new ATOM 0 HG SER A 71 -4.851 -11.376 7.104 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.764 -9.983 3.848 1.00 0.00 N ATOM 1035 CA LEU A 72 -7.938 -9.135 4.024 1.00 0.00 C ATOM 1036 C LEU A 72 -9.216 -9.968 4.021 1.00 0.00 C ATOM 1037 O LEU A 72 -9.181 -11.180 3.804 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.000 -8.081 2.917 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.681 -7.386 2.577 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.893 -6.340 1.494 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -6.076 -6.753 3.822 1.00 0.00 C ATOM 0 H LEU A 72 -6.598 -10.279 2.886 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.854 -8.635 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.381 -8.555 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.724 -7.320 3.208 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.984 -8.134 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.944 -5.856 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.282 -6.820 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.606 -5.593 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.138 -6.263 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.769 -6.017 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.887 -7.525 4.568 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.345 -9.310 4.261 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.636 -9.988 4.283 1.00 0.00 C ATOM 1055 C LEU A 73 -12.488 -9.578 3.086 1.00 0.00 C ATOM 1056 O LEU A 73 -12.581 -8.403 2.733 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.378 -9.672 5.584 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.628 -9.990 6.878 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.359 -9.403 8.076 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.455 -11.493 7.040 1.00 0.00 C ATOM 0 H LEU A 73 -10.392 -8.308 4.443 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.456 -11.061 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.632 -8.612 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.317 -10.225 5.587 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.639 -9.535 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.811 -9.639 8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.429 -8.321 7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.361 -9.828 8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.919 -11.700 7.966 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.434 -11.971 7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.887 -11.887 6.197 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.128 -10.569 2.448 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.987 -10.336 1.283 1.00 0.00 C ATOM 1074 C PRO A 74 -15.275 -9.607 1.649 1.00 0.00 C ATOM 1075 O PRO A 74 -15.756 -9.705 2.777 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.295 -11.748 0.781 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.149 -12.618 1.982 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.064 -11.994 2.815 1.00 0.00 C ATOM 0 HA PRO A 74 -13.503 -9.701 0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.302 -11.810 0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.606 -12.046 -0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.084 -12.675 2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.885 -13.636 1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.240 -12.143 3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.088 -12.423 2.590 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.830 -8.876 0.686 1.00 0.00 N ATOM 1087 CA GLY A 75 -17.059 -8.142 0.928 1.00 0.00 C ATOM 1088 C GLY A 75 -16.903 -7.091 2.008 1.00 0.00 C ATOM 1089 O GLY A 75 -17.872 -6.723 2.672 1.00 0.00 O ATOM 0 H GLY A 75 -15.451 -8.779 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.381 -7.663 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.845 -8.840 1.216 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.679 -6.605 2.186 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.398 -5.589 3.194 1.00 0.00 C ATOM 1095 C LYS A 76 -14.536 -4.472 2.615 1.00 0.00 C ATOM 1096 O LYS A 76 -13.709 -4.706 1.733 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.696 -6.218 4.399 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.597 -7.116 5.229 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.508 -6.307 6.137 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.839 -6.001 7.468 1.00 0.00 C ATOM 1101 NZ LYS A 76 -16.835 -5.793 8.555 1.00 0.00 N ATOM 0 H LYS A 76 -14.865 -6.898 1.645 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.347 -5.161 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.842 -6.798 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.303 -5.424 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.200 -7.738 4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.986 -7.789 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.781 -5.375 5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.432 -6.858 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.174 -6.822 7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.220 -5.109 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.360 -5.391 9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.574 -5.138 8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.267 -6.704 8.809 1.00 0.00 H new ATOM 1115 N THR A 77 -14.732 -3.257 3.118 1.00 0.00 N ATOM 1116 CA THR A 77 -13.972 -2.105 2.651 1.00 0.00 C ATOM 1117 C THR A 77 -12.757 -1.852 3.536 1.00 0.00 C ATOM 1118 O THR A 77 -12.742 -2.229 4.708 1.00 0.00 O ATOM 1119 CB THR A 77 -14.843 -0.834 2.618 1.00 0.00 C ATOM 1120 OG1 THR A 77 -15.979 -1.040 1.771 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.041 0.358 2.117 1.00 0.00 C ATOM 0 H THR A 77 -15.411 -3.046 3.849 1.00 0.00 H new ATOM 0 HA THR A 77 -13.639 -2.335 1.639 1.00 0.00 H new ATOM 0 HB THR A 77 -15.180 -0.625 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.528 -0.228 1.757 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.676 1.244 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.193 0.531 2.780 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.678 0.155 1.109 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.741 -1.211 2.968 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.520 -0.910 3.706 1.00 0.00 C ATOM 1131 C TYR A 78 -9.914 0.411 3.240 1.00 0.00 C ATOM 1132 O TYR A 78 -9.669 0.608 2.050 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.503 -2.039 3.534 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.834 -3.279 4.335 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.870 -4.122 3.951 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.110 -3.607 5.474 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.175 -5.255 4.680 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.408 -4.739 6.209 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.442 -5.559 5.808 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.742 -6.687 6.536 1.00 0.00 O ATOM 0 H TYR A 78 -11.739 -0.890 2.000 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.777 -0.820 4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.442 -2.304 2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.518 -1.678 3.830 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.446 -3.887 3.068 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.300 -2.966 5.791 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.983 -5.900 4.368 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.835 -4.980 7.092 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.131 -6.756 7.299 1.00 0.00 H new ATOM 1150 N SER A 79 -9.675 1.312 4.188 1.00 0.00 N ATOM 1151 CA SER A 79 -9.101 2.615 3.876 1.00 0.00 C ATOM 1152 C SER A 79 -7.588 2.515 3.703 1.00 0.00 C ATOM 1153 O SER A 79 -6.859 2.249 4.658 1.00 0.00 O ATOM 1154 CB SER A 79 -9.434 3.620 4.980 1.00 0.00 C ATOM 1155 OG SER A 79 -9.029 3.136 6.249 1.00 0.00 O ATOM 0 H SER A 79 -9.870 1.163 5.178 1.00 0.00 H new ATOM 0 HA SER A 79 -9.535 2.960 2.937 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.938 4.569 4.774 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.506 3.815 4.987 1.00 0.00 H new ATOM 0 HG SER A 79 -8.527 2.302 6.136 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.124 2.730 2.476 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.699 2.663 2.176 1.00 0.00 C ATOM 1163 C PHE A 80 -5.101 4.063 2.059 1.00 0.00 C ATOM 1164 O PHE A 80 -5.797 5.019 1.715 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.465 1.886 0.879 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.847 0.437 0.971 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.153 0.035 0.744 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.899 -0.524 1.285 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.507 -1.299 0.829 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.247 -1.859 1.371 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.552 -2.247 1.142 1.00 0.00 C ATOM 0 H PHE A 80 -7.714 2.952 1.674 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.205 2.143 2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.036 2.354 0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.412 1.959 0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.903 0.772 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.876 -0.226 1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.529 -1.600 0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.499 -2.598 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.826 -3.290 1.207 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.809 4.174 2.347 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.118 5.455 2.276 1.00 0.00 C ATOM 1183 C ARG A 81 -1.736 5.294 1.649 1.00 0.00 C ATOM 1184 O ARG A 81 -1.324 4.185 1.306 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.988 6.067 3.672 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.109 5.668 4.618 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.398 6.764 5.633 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.483 6.711 6.770 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.541 7.549 7.799 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.465 8.498 7.834 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -2.673 7.437 8.797 1.00 0.00 N ATOM 0 H ARG A 81 -3.219 3.392 2.632 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.708 6.122 1.648 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.034 5.765 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.968 7.153 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.011 5.454 4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.837 4.750 5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.318 7.737 5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.424 6.668 5.988 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.760 5.991 6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.134 8.587 7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.507 9.140 8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.961 6.707 8.774 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.718 8.081 9.587 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.025 6.406 1.503 1.00 0.00 N ATOM 1206 CA LEU A 82 0.311 6.389 0.917 1.00 0.00 C ATOM 1207 C LEU A 82 1.171 7.513 1.488 1.00 0.00 C ATOM 1208 O LEU A 82 0.682 8.614 1.741 1.00 0.00 O ATOM 1209 CB LEU A 82 0.224 6.521 -0.604 1.00 0.00 C ATOM 1210 CG LEU A 82 1.557 6.619 -1.347 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.325 5.310 -1.241 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.330 6.989 -2.805 1.00 0.00 C ATOM 0 H LEU A 82 -1.351 7.331 1.782 1.00 0.00 H new ATOM 0 HA LEU A 82 0.778 5.436 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.323 5.662 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.366 7.407 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 82 2.152 7.405 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.271 5.399 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.521 5.087 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.735 4.505 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.290 7.054 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.715 6.226 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.823 7.952 -2.861 1.00 0.00 H new ATOM 1224 N ARG A 83 2.454 7.227 1.686 1.00 0.00 N ATOM 1225 CA ARG A 83 3.381 8.214 2.225 1.00 0.00 C ATOM 1226 C ARG A 83 4.794 7.975 1.701 1.00 0.00 C ATOM 1227 O ARG A 83 5.274 6.842 1.675 1.00 0.00 O ATOM 1228 CB ARG A 83 3.378 8.166 3.754 1.00 0.00 C ATOM 1229 CG ARG A 83 3.958 6.882 4.325 1.00 0.00 C ATOM 1230 CD ARG A 83 4.177 6.988 5.826 1.00 0.00 C ATOM 1231 NE ARG A 83 4.688 5.743 6.394 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.296 5.669 7.572 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.469 6.761 8.303 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.733 4.499 8.021 1.00 0.00 N ATOM 0 H ARG A 83 2.874 6.320 1.481 1.00 0.00 H new ATOM 0 HA ARG A 83 3.053 9.201 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.947 9.013 4.137 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.355 8.282 4.111 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.285 6.051 4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.905 6.659 3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.878 7.796 6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.237 7.249 6.312 1.00 0.00 H new ATOM 0 HE ARG A 83 4.571 4.884 5.857 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.135 7.662 7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.936 6.700 9.208 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.602 3.657 7.461 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.200 4.442 8.926 1.00 0.00 H new ATOM 1248 N ALA A 84 5.455 9.050 1.285 1.00 0.00 N ATOM 1249 CA ALA A 84 6.813 8.958 0.763 1.00 0.00 C ATOM 1250 C ALA A 84 7.835 9.368 1.818 1.00 0.00 C ATOM 1251 O ALA A 84 7.496 10.020 2.804 1.00 0.00 O ATOM 1252 CB ALA A 84 6.960 9.822 -0.481 1.00 0.00 C ATOM 0 H ALA A 84 5.072 9.995 1.299 1.00 0.00 H new ATOM 0 HA ALA A 84 7.003 7.919 0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.979 9.744 -0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.261 9.481 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.745 10.861 -0.230 1.00 0.00 H new ATOM 1258 N ALA A 85 9.088 8.979 1.603 1.00 0.00 N ATOM 1259 CA ALA A 85 10.160 9.307 2.535 1.00 0.00 C ATOM 1260 C ALA A 85 11.415 9.752 1.793 1.00 0.00 C ATOM 1261 O ALA A 85 11.710 9.262 0.704 1.00 0.00 O ATOM 1262 CB ALA A 85 10.467 8.113 3.427 1.00 0.00 C ATOM 0 H ALA A 85 9.385 8.437 0.792 1.00 0.00 H new ATOM 0 HA ALA A 85 9.825 10.136 3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.269 8.372 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.575 7.842 3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.777 7.269 2.811 1.00 0.00 H new ATOM 1268 N ASN A 86 12.150 10.685 2.390 1.00 0.00 N ATOM 1269 CA ASN A 86 13.374 11.197 1.784 1.00 0.00 C ATOM 1270 C ASN A 86 14.463 11.387 2.835 1.00 0.00 C ATOM 1271 O ASN A 86 14.281 11.044 4.003 1.00 0.00 O ATOM 1272 CB ASN A 86 13.099 12.524 1.072 1.00 0.00 C ATOM 1273 CG ASN A 86 12.412 13.531 1.973 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.364 13.360 3.192 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.875 14.589 1.377 1.00 0.00 N ATOM 0 H ASN A 86 11.920 11.102 3.292 1.00 0.00 H new ATOM 0 HA ASN A 86 13.722 10.466 1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.039 12.943 0.714 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.477 12.341 0.196 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.399 15.300 1.932 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.938 14.691 0.364 1.00 0.00 H new ATOM 1282 N LYS A 87 15.596 11.937 2.412 1.00 0.00 N ATOM 1283 CA LYS A 87 16.716 12.176 3.316 1.00 0.00 C ATOM 1284 C LYS A 87 16.239 12.822 4.613 1.00 0.00 C ATOM 1285 O LYS A 87 16.924 12.763 5.634 1.00 0.00 O ATOM 1286 CB LYS A 87 17.760 13.069 2.642 1.00 0.00 C ATOM 1287 CG LYS A 87 17.210 14.408 2.182 1.00 0.00 C ATOM 1288 CD LYS A 87 18.313 15.313 1.658 1.00 0.00 C ATOM 1289 CE LYS A 87 17.827 16.745 1.493 1.00 0.00 C ATOM 1290 NZ LYS A 87 18.568 17.461 0.418 1.00 0.00 N ATOM 0 H LYS A 87 15.763 12.226 1.448 1.00 0.00 H new ATOM 0 HA LYS A 87 17.170 11.214 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.581 13.243 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.176 12.542 1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.467 14.248 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.700 14.897 3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.160 15.292 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.670 14.936 0.700 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.762 16.743 1.261 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.947 17.280 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.208 18.433 0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.581 17.486 0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.433 16.965 -0.486 1.00 0.00 H new ATOM 1304 N MET A 88 15.062 13.437 4.565 1.00 0.00 N ATOM 1305 CA MET A 88 14.494 14.092 5.737 1.00 0.00 C ATOM 1306 C MET A 88 13.689 13.104 6.575 1.00 0.00 C ATOM 1307 O MET A 88 14.001 12.864 7.741 1.00 0.00 O ATOM 1308 CB MET A 88 13.605 15.262 5.314 1.00 0.00 C ATOM 1309 CG MET A 88 14.303 16.256 4.399 1.00 0.00 C ATOM 1310 SD MET A 88 15.482 17.299 5.279 1.00 0.00 S ATOM 1311 CE MET A 88 16.964 16.299 5.171 1.00 0.00 C ATOM 0 H MET A 88 14.483 13.495 3.727 1.00 0.00 H new ATOM 0 HA MET A 88 15.316 14.471 6.344 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.722 14.872 4.807 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.257 15.784 6.205 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.822 15.714 3.609 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.556 16.886 3.916 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.429 16.230 6.155 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.704 15.300 4.821 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.662 16.758 4.471 1.00 0.00 H new ATOM 1321 N GLY A 89 12.650 12.532 5.973 1.00 0.00 N ATOM 1322 CA GLY A 89 11.817 11.577 6.679 1.00 0.00 C ATOM 1323 C GLY A 89 10.495 11.332 5.978 1.00 0.00 C ATOM 1324 O GLY A 89 10.218 11.924 4.935 1.00 0.00 O ATOM 0 H GLY A 89 12.371 12.713 5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.354 10.633 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.627 11.941 7.689 1.00 0.00 H new ATOM 1328 N PHE A 90 9.676 10.457 6.552 1.00 0.00 N ATOM 1329 CA PHE A 90 8.377 10.133 5.975 1.00 0.00 C ATOM 1330 C PHE A 90 7.395 11.285 6.164 1.00 0.00 C ATOM 1331 O PHE A 90 7.307 11.869 7.244 1.00 0.00 O ATOM 1332 CB PHE A 90 7.815 8.860 6.611 1.00 0.00 C ATOM 1333 CG PHE A 90 8.209 7.604 5.887 1.00 0.00 C ATOM 1334 CD1 PHE A 90 7.477 7.157 4.798 1.00 0.00 C ATOM 1335 CD2 PHE A 90 9.311 6.870 6.295 1.00 0.00 C ATOM 1336 CE1 PHE A 90 7.837 6.002 4.130 1.00 0.00 C ATOM 1337 CE2 PHE A 90 9.676 5.714 5.630 1.00 0.00 C ATOM 1338 CZ PHE A 90 8.937 5.279 4.547 1.00 0.00 C ATOM 0 H PHE A 90 9.889 9.960 7.417 1.00 0.00 H new ATOM 0 HA PHE A 90 8.514 9.967 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.158 8.797 7.644 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.727 8.927 6.640 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.615 7.718 4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 90 9.891 7.205 7.142 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.258 5.665 3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.538 5.152 5.957 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.219 4.375 4.027 1.00 0.00 H new ATOM 1348 N GLY A 91 6.658 11.608 5.106 1.00 0.00 N ATOM 1349 CA GLY A 91 5.692 12.689 5.175 1.00 0.00 C ATOM 1350 C GLY A 91 4.304 12.204 5.541 1.00 0.00 C ATOM 1351 O GLY A 91 4.113 11.064 5.965 1.00 0.00 O ATOM 0 H GLY A 91 6.713 11.140 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.023 13.422 5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.653 13.199 4.213 1.00 0.00 H new ATOM 1355 N PRO A 92 3.303 13.082 5.377 1.00 0.00 N ATOM 1356 CA PRO A 92 1.908 12.760 5.688 1.00 0.00 C ATOM 1357 C PRO A 92 1.314 11.752 4.710 1.00 0.00 C ATOM 1358 O PRO A 92 1.697 11.707 3.540 1.00 0.00 O ATOM 1359 CB PRO A 92 1.196 14.109 5.564 1.00 0.00 C ATOM 1360 CG PRO A 92 2.042 14.899 4.626 1.00 0.00 C ATOM 1361 CD PRO A 92 3.458 14.458 4.875 1.00 0.00 C ATOM 0 HA PRO A 92 1.806 12.298 6.670 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.184 13.988 5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.111 14.603 6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.753 14.716 3.591 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.929 15.968 4.805 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.055 14.488 3.963 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.956 15.098 5.603 1.00 0.00 H new ATOM 1369 N PHE A 93 0.375 10.946 5.195 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.271 9.938 4.363 1.00 0.00 C ATOM 1371 C PHE A 93 -1.252 10.585 3.389 1.00 0.00 C ATOM 1372 O PHE A 93 -1.778 11.667 3.648 1.00 0.00 O ATOM 1373 CB PHE A 93 -1.002 8.917 5.237 1.00 0.00 C ATOM 1374 CG PHE A 93 -0.156 7.733 5.611 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.286 6.847 4.642 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.196 7.507 6.932 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.065 5.757 4.983 1.00 0.00 C ATOM 1378 CE2 PHE A 93 0.975 6.419 7.278 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.409 5.542 6.303 1.00 0.00 C ATOM 0 H PHE A 93 0.045 10.971 6.160 1.00 0.00 H new ATOM 0 HA PHE A 93 0.502 9.427 3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.346 9.409 6.147 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.889 8.567 4.709 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.019 7.010 3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.142 8.188 7.699 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.404 5.074 4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.244 6.254 8.311 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.016 4.690 6.572 1.00 0.00 H new ATOM 1389 N SER A 94 -1.492 9.913 2.267 1.00 0.00 N ATOM 1390 CA SER A 94 -2.405 10.423 1.251 1.00 0.00 C ATOM 1391 C SER A 94 -3.857 10.243 1.686 1.00 0.00 C ATOM 1392 O SER A 94 -4.131 9.820 2.808 1.00 0.00 O ATOM 1393 CB SER A 94 -2.168 9.711 -0.082 1.00 0.00 C ATOM 1394 OG SER A 94 -2.631 8.373 -0.034 1.00 0.00 O ATOM 0 H SER A 94 -1.067 9.014 2.039 1.00 0.00 H new ATOM 0 HA SER A 94 -2.211 11.488 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.680 10.248 -0.881 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.104 9.723 -0.320 1.00 0.00 H new ATOM 0 HG SER A 94 -3.605 8.360 -0.144 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.782 10.569 0.788 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.205 10.444 1.079 1.00 0.00 C ATOM 1402 C GLU A 95 -6.615 8.977 1.172 1.00 0.00 C ATOM 1403 O GLU A 95 -6.104 8.130 0.438 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.032 11.149 0.002 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.571 12.567 -0.288 1.00 0.00 C ATOM 1406 CD GLU A 95 -7.366 13.223 -1.401 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -7.100 12.911 -2.581 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -8.252 14.046 -1.093 1.00 0.00 O ATOM 0 H GLU A 95 -4.571 10.921 -0.146 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.396 10.918 2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.987 10.566 -0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.076 11.172 0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.659 13.166 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.516 12.553 -0.560 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.540 8.683 2.079 1.00 0.00 N ATOM 1416 CA LYS A 96 -8.020 7.320 2.269 1.00 0.00 C ATOM 1417 C LYS A 96 -8.819 6.850 1.057 1.00 0.00 C ATOM 1418 O LYS A 96 -9.828 7.456 0.694 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.886 7.233 3.528 1.00 0.00 C ATOM 1420 CG LYS A 96 -8.196 7.750 4.778 1.00 0.00 C ATOM 1421 CD LYS A 96 -9.201 8.164 5.840 1.00 0.00 C ATOM 1422 CE LYS A 96 -8.662 9.290 6.709 1.00 0.00 C ATOM 1423 NZ LYS A 96 -9.656 9.730 7.726 1.00 0.00 N ATOM 0 H LYS A 96 -7.973 9.372 2.695 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.153 6.670 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.803 7.801 3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.178 6.195 3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.540 6.977 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.566 8.601 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.127 8.484 5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.445 7.305 6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.752 8.959 7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.389 10.136 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.251 10.498 8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.515 10.070 7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.898 8.929 8.344 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.362 5.768 0.437 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.034 5.217 -0.735 1.00 0.00 C ATOM 1439 C CYS A 97 -9.764 3.924 -0.384 1.00 0.00 C ATOM 1440 O CYS A 97 -9.236 2.829 -0.580 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.025 4.960 -1.854 1.00 0.00 C ATOM 1442 SG CYS A 97 -8.664 3.942 -3.205 1.00 0.00 S ATOM 0 H CYS A 97 -7.529 5.255 0.726 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.768 5.946 -1.079 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.696 5.917 -2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.146 4.474 -1.431 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.693 3.632 -4.012 1.00 0.00 H new ATOM 1448 N ASP A 98 -10.979 4.059 0.135 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.781 2.902 0.514 1.00 0.00 C ATOM 1450 C ASP A 98 -11.949 1.948 -0.665 1.00 0.00 C ATOM 1451 O ASP A 98 -12.549 2.300 -1.680 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.153 3.350 1.022 1.00 0.00 C ATOM 1453 CG ASP A 98 -13.170 3.574 2.521 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -12.610 2.731 3.254 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -13.741 4.592 2.962 1.00 0.00 O ATOM 0 H ASP A 98 -11.430 4.958 0.303 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.260 2.376 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.441 4.272 0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.897 2.597 0.761 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.413 0.740 -0.523 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.503 -0.264 -1.575 1.00 0.00 C ATOM 1462 C ILE A 99 -12.251 -1.501 -1.092 1.00 0.00 C ATOM 1463 O ILE A 99 -11.795 -2.203 -0.188 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.107 -0.683 -2.074 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.475 0.443 -2.894 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.201 -1.958 -2.899 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.008 0.223 -3.193 1.00 0.00 C ATOM 0 H ILE A 99 -10.912 0.433 0.311 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.053 0.191 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.472 -0.878 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.018 0.546 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.591 1.383 -2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.207 -2.242 -3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.614 -2.759 -2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.849 -1.788 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.626 1.060 -3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.453 0.150 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.887 -0.700 -3.760 1.00 0.00 H new ATOM 1479 N THR A 100 -13.402 -1.766 -1.702 1.00 0.00 N ATOM 1480 CA THR A 100 -14.214 -2.920 -1.334 1.00 0.00 C ATOM 1481 C THR A 100 -13.743 -4.176 -2.058 1.00 0.00 C ATOM 1482 O THR A 100 -13.840 -4.275 -3.282 1.00 0.00 O ATOM 1483 CB THR A 100 -15.702 -2.684 -1.655 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.090 -1.370 -1.239 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.575 -3.720 -0.961 1.00 0.00 C ATOM 0 H THR A 100 -13.793 -1.197 -2.453 1.00 0.00 H new ATOM 0 HA THR A 100 -14.099 -3.059 -0.259 1.00 0.00 H new ATOM 0 HB THR A 100 -15.839 -2.779 -2.732 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.041 -1.308 -0.262 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.622 -3.534 -1.202 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.296 -4.717 -1.301 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.433 -3.652 0.118 1.00 0.00 H new ATOM 1493 N THR A 101 -13.232 -5.137 -1.294 1.00 0.00 N ATOM 1494 CA THR A 101 -12.745 -6.388 -1.863 1.00 0.00 C ATOM 1495 C THR A 101 -13.862 -7.137 -2.580 1.00 0.00 C ATOM 1496 O THR A 101 -15.023 -6.731 -2.536 1.00 0.00 O ATOM 1497 CB THR A 101 -12.143 -7.301 -0.778 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.101 -7.522 0.263 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.881 -6.687 -0.192 1.00 0.00 C ATOM 0 H THR A 101 -13.145 -5.073 -0.280 1.00 0.00 H new ATOM 0 HA THR A 101 -11.967 -6.128 -2.581 1.00 0.00 H new ATOM 0 HB THR A 101 -11.883 -8.254 -1.240 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.633 -7.707 1.104 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.475 -7.350 0.572 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.143 -6.548 -0.982 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.120 -5.722 0.255 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.504 -8.234 -3.240 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.477 -9.041 -3.964 1.00 0.00 C ATOM 1509 C ALA A 102 -15.358 -9.833 -3.003 1.00 0.00 C ATOM 1510 O ALA A 102 -14.946 -10.197 -1.902 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.769 -9.981 -4.929 1.00 0.00 C ATOM 0 H ALA A 102 -12.547 -8.584 -3.288 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.118 -8.368 -4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.508 -10.578 -5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.188 -9.398 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.104 -10.641 -4.372 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.601 -10.105 -3.427 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.566 -10.855 -2.618 1.00 0.00 C ATOM 1519 C PRO A 103 -17.187 -12.326 -2.479 1.00 0.00 C ATOM 1520 O PRO A 103 -17.914 -13.110 -1.871 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.873 -10.713 -3.403 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.446 -10.476 -4.810 1.00 0.00 C ATOM 1523 CD PRO A 103 -17.160 -9.701 -4.728 1.00 0.00 C ATOM 0 HA PRO A 103 -17.622 -10.478 -1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.484 -11.612 -3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.473 -9.885 -3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.300 -11.419 -5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.204 -9.917 -5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.488 -9.950 -5.549 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.335 -8.626 -4.774 1.00 0.00 H new ATOM 1531 N GLY A 104 -16.041 -12.693 -3.045 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.585 -14.068 -2.972 1.00 0.00 C ATOM 1533 C GLY A 104 -16.127 -14.920 -4.103 1.00 0.00 C ATOM 1534 O GLY A 104 -17.284 -15.338 -4.075 1.00 0.00 O ATOM 0 H GLY A 104 -15.421 -12.062 -3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.495 -14.088 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.890 -14.499 -2.018 1.00 0.00 H new