USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 718 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 35 ASN : amide:sc= 0.00456 X(o=-0.26,f=-0.31) USER MOD Set 1.2: A 51 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.31) USER MOD Single : A 0 SER OG : rot 46:sc= -1.15 USER MOD Single : A 1 MET CE :methyl 154:sc= -2.53 (180deg=-2.87!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= -0.0108 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 SER OG : rot 180:sc= 0 USER MOD Single : A -8 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -83:sc= -0.0865 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.5!) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0916 K(o=-0.092,f=1.2) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.883 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 69:sc= -1.95 USER MOD Single : A 55 MET CE :methyl -141:sc= -0.472 (180deg=-2.03!) USER MOD Single : A 56 LYS NZ :NH3+ -134:sc= 0 (180deg=-1.68!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : B 1 SER N :NH3+ -151:sc= 0 (180deg=-0.437) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -8 12.299 -6.739 -39.564 1.00 0.00 N ATOM 2 CA GLY A -8 10.916 -7.024 -40.220 1.00 0.00 C ATOM 3 C GLY A -8 9.732 -6.285 -39.773 1.00 0.00 C ATOM 4 O GLY A -8 8.640 -6.820 -39.724 1.00 0.00 O ATOM 0 H1 GLY A -8 13.021 -7.348 -39.999 1.00 0.00 H new ATOM 0 H2 GLY A -8 12.553 -5.741 -39.710 1.00 0.00 H new ATOM 0 H3 GLY A -8 12.247 -6.937 -38.544 1.00 0.00 H new ATOM 0 HA2 GLY A -8 11.022 -6.851 -41.291 1.00 0.00 H new ATOM 0 HA3 GLY A -8 10.706 -8.085 -40.088 1.00 0.00 H new ATOM 10 N SER A -7 9.899 -5.031 -39.429 1.00 0.00 N ATOM 11 CA SER A -7 8.739 -4.216 -38.963 1.00 0.00 C ATOM 12 C SER A -7 8.352 -3.213 -40.053 1.00 0.00 C ATOM 13 O SER A -7 9.198 -2.700 -40.763 1.00 0.00 O ATOM 14 CB SER A -7 9.125 -3.464 -37.689 1.00 0.00 C ATOM 15 OG SER A -7 9.892 -4.320 -36.853 1.00 0.00 O ATOM 0 H SER A -7 10.792 -4.538 -39.452 1.00 0.00 H new ATOM 0 HA SER A -7 7.893 -4.871 -38.755 1.00 0.00 H new ATOM 0 HB2 SER A -7 9.699 -2.572 -37.939 1.00 0.00 H new ATOM 0 HB3 SER A -7 8.230 -3.131 -37.164 1.00 0.00 H new ATOM 0 HG SER A -7 10.143 -3.840 -36.036 1.00 0.00 H new ATOM 21 N ARG A -6 7.078 -2.932 -40.190 1.00 0.00 N ATOM 22 CA ARG A -6 6.627 -1.964 -41.235 1.00 0.00 C ATOM 23 C ARG A -6 6.043 -0.718 -40.563 1.00 0.00 C ATOM 24 O ARG A -6 5.733 -0.727 -39.385 1.00 0.00 O ATOM 25 CB ARG A -6 5.561 -2.621 -42.114 1.00 0.00 C ATOM 26 CG ARG A -6 4.423 -3.150 -41.234 1.00 0.00 C ATOM 27 CD ARG A -6 4.653 -4.635 -40.935 1.00 0.00 C ATOM 28 NE ARG A -6 4.058 -5.460 -42.023 1.00 0.00 N ATOM 29 CZ ARG A -6 4.252 -6.751 -42.045 1.00 0.00 C ATOM 30 NH1 ARG A -6 4.138 -7.447 -40.947 1.00 0.00 N ATOM 31 NH2 ARG A -6 4.561 -7.346 -43.165 1.00 0.00 N ATOM 0 H ARG A -6 6.332 -3.333 -39.622 1.00 0.00 H new ATOM 0 HA ARG A -6 7.477 -1.675 -41.853 1.00 0.00 H new ATOM 0 HB2 ARG A -6 5.173 -1.899 -42.833 1.00 0.00 H new ATOM 0 HB3 ARG A -6 6.000 -3.437 -42.687 1.00 0.00 H new ATOM 0 HG2 ARG A -6 4.376 -2.584 -40.304 1.00 0.00 H new ATOM 0 HG3 ARG A -6 3.466 -3.014 -41.738 1.00 0.00 H new ATOM 0 HD2 ARG A -6 5.721 -4.839 -40.852 1.00 0.00 H new ATOM 0 HD3 ARG A -6 4.203 -4.898 -39.978 1.00 0.00 H new ATOM 0 HE ARG A -6 3.499 -5.016 -42.751 1.00 0.00 H new ATOM 0 HH11 ARG A -6 3.897 -6.982 -40.071 1.00 0.00 H new ATOM 0 HH12 ARG A -6 4.290 -8.456 -40.964 1.00 0.00 H new ATOM 0 HH21 ARG A -6 4.651 -6.802 -44.023 1.00 0.00 H new ATOM 0 HH22 ARG A -6 4.713 -8.355 -43.182 1.00 0.00 H new ATOM 45 N ARG A -5 5.892 0.352 -41.306 1.00 0.00 N ATOM 46 CA ARG A -5 5.330 1.606 -40.718 1.00 0.00 C ATOM 47 C ARG A -5 4.219 2.143 -41.624 1.00 0.00 C ATOM 48 O ARG A -5 3.995 3.338 -41.702 1.00 0.00 O ATOM 49 CB ARG A -5 6.440 2.653 -40.595 1.00 0.00 C ATOM 50 CG ARG A -5 6.207 3.504 -39.344 1.00 0.00 C ATOM 51 CD ARG A -5 7.191 4.678 -39.329 1.00 0.00 C ATOM 52 NE ARG A -5 7.702 4.879 -37.944 1.00 0.00 N ATOM 53 CZ ARG A -5 8.265 6.009 -37.615 1.00 0.00 C ATOM 54 NH1 ARG A -5 9.445 6.312 -38.082 1.00 0.00 N ATOM 55 NH2 ARG A -5 7.646 6.838 -36.818 1.00 0.00 N ATOM 0 H ARG A -5 6.134 0.410 -42.295 1.00 0.00 H new ATOM 0 HA ARG A -5 4.920 1.392 -39.731 1.00 0.00 H new ATOM 0 HB2 ARG A -5 7.412 2.162 -40.538 1.00 0.00 H new ATOM 0 HB3 ARG A -5 6.455 3.288 -41.481 1.00 0.00 H new ATOM 0 HG2 ARG A -5 5.182 3.875 -39.330 1.00 0.00 H new ATOM 0 HG3 ARG A -5 6.338 2.896 -38.449 1.00 0.00 H new ATOM 0 HD2 ARG A -5 8.020 4.481 -40.009 1.00 0.00 H new ATOM 0 HD3 ARG A -5 6.698 5.584 -39.682 1.00 0.00 H new ATOM 0 HE ARG A -5 7.612 4.134 -37.254 1.00 0.00 H new ATOM 0 HH11 ARG A -5 9.928 5.665 -38.705 1.00 0.00 H new ATOM 0 HH12 ARG A -5 9.884 7.196 -37.824 1.00 0.00 H new ATOM 0 HH21 ARG A -5 6.723 6.602 -36.453 1.00 0.00 H new ATOM 0 HH22 ARG A -5 8.085 7.722 -36.560 1.00 0.00 H new ATOM 69 N ALA A -4 3.521 1.269 -42.307 1.00 0.00 N ATOM 70 CA ALA A -4 2.421 1.721 -43.210 1.00 0.00 C ATOM 71 C ALA A -4 1.078 1.258 -42.642 1.00 0.00 C ATOM 72 O ALA A -4 0.158 2.041 -42.486 1.00 0.00 O ATOM 73 CB ALA A -4 2.622 1.117 -44.602 1.00 0.00 C ATOM 0 H ALA A -4 3.667 0.260 -42.277 1.00 0.00 H new ATOM 0 HA ALA A -4 2.432 2.809 -43.282 1.00 0.00 H new ATOM 0 HB1 ALA A -4 1.819 1.447 -45.261 1.00 0.00 H new ATOM 0 HB2 ALA A -4 3.580 1.444 -45.006 1.00 0.00 H new ATOM 0 HB3 ALA A -4 2.610 0.029 -44.532 1.00 0.00 H new ATOM 79 N SER A -3 0.960 -0.009 -42.330 1.00 0.00 N ATOM 80 CA SER A -3 -0.321 -0.533 -41.768 1.00 0.00 C ATOM 81 C SER A -3 -0.537 0.044 -40.367 1.00 0.00 C ATOM 82 O SER A -3 0.365 0.064 -39.550 1.00 0.00 O ATOM 83 CB SER A -3 -0.256 -2.058 -41.686 1.00 0.00 C ATOM 84 OG SER A -3 0.091 -2.583 -42.961 1.00 0.00 O ATOM 0 H SER A -3 1.698 -0.704 -42.441 1.00 0.00 H new ATOM 0 HA SER A -3 -1.148 -0.239 -42.414 1.00 0.00 H new ATOM 0 HB2 SER A -3 0.480 -2.363 -40.942 1.00 0.00 H new ATOM 0 HB3 SER A -3 -1.218 -2.458 -41.365 1.00 0.00 H new ATOM 0 HG SER A -3 0.135 -3.561 -42.911 1.00 0.00 H new ATOM 90 N VAL A -2 -1.729 0.512 -40.085 1.00 0.00 N ATOM 91 CA VAL A -2 -2.013 1.089 -38.738 1.00 0.00 C ATOM 92 C VAL A -2 -3.142 0.299 -38.076 1.00 0.00 C ATOM 93 O VAL A -2 -4.055 -0.165 -38.736 1.00 0.00 O ATOM 94 CB VAL A -2 -2.434 2.554 -38.883 1.00 0.00 C ATOM 95 CG1 VAL A -2 -2.560 3.187 -37.497 1.00 0.00 C ATOM 96 CG2 VAL A -2 -1.376 3.310 -39.692 1.00 0.00 C ATOM 0 H VAL A -2 -2.517 0.518 -40.732 1.00 0.00 H new ATOM 0 HA VAL A -2 -1.115 1.031 -38.123 1.00 0.00 H new ATOM 0 HB VAL A -2 -3.394 2.607 -39.397 1.00 0.00 H new ATOM 0 HG11 VAL A -2 -2.860 4.230 -37.599 1.00 0.00 H new ATOM 0 HG12 VAL A -2 -3.311 2.649 -36.918 1.00 0.00 H new ATOM 0 HG13 VAL A -2 -1.600 3.134 -36.984 1.00 0.00 H new ATOM 0 HG21 VAL A -2 -1.674 4.353 -39.796 1.00 0.00 H new ATOM 0 HG22 VAL A -2 -0.417 3.257 -39.177 1.00 0.00 H new ATOM 0 HG23 VAL A -2 -1.283 2.859 -40.680 1.00 0.00 H new ATOM 106 N GLY A -1 -3.086 0.142 -36.776 1.00 0.00 N ATOM 107 CA GLY A -1 -4.155 -0.619 -36.063 1.00 0.00 C ATOM 108 C GLY A -1 -3.565 -1.286 -34.821 1.00 0.00 C ATOM 109 O GLY A -1 -3.009 -2.367 -34.891 1.00 0.00 O ATOM 0 H GLY A -1 -2.345 0.509 -36.179 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -4.965 0.052 -35.778 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -4.583 -1.372 -36.725 1.00 0.00 H new ATOM 113 N SER A 0 -3.682 -0.647 -33.684 1.00 0.00 N ATOM 114 CA SER A 0 -3.133 -1.236 -32.427 1.00 0.00 C ATOM 115 C SER A 0 -3.888 -2.519 -32.097 1.00 0.00 C ATOM 116 O SER A 0 -4.830 -2.889 -32.776 1.00 0.00 O ATOM 117 CB SER A 0 -3.303 -0.239 -31.281 1.00 0.00 C ATOM 118 OG SER A 0 -4.542 0.434 -31.432 1.00 0.00 O ATOM 0 H SER A 0 -4.136 0.260 -33.573 1.00 0.00 H new ATOM 0 HA SER A 0 -2.075 -1.459 -32.562 1.00 0.00 H new ATOM 0 HB2 SER A 0 -3.271 -0.758 -30.323 1.00 0.00 H new ATOM 0 HB3 SER A 0 -2.483 0.479 -31.282 1.00 0.00 H new ATOM 0 HG SER A 0 -5.245 -0.217 -31.638 1.00 0.00 H new ATOM 124 N MET A 1 -3.488 -3.191 -31.052 1.00 0.00 N ATOM 125 CA MET A 1 -4.178 -4.449 -30.654 1.00 0.00 C ATOM 126 C MET A 1 -4.974 -4.211 -29.398 1.00 0.00 C ATOM 127 O MET A 1 -5.081 -3.088 -28.924 1.00 0.00 O ATOM 128 CB MET A 1 -3.153 -5.557 -30.418 1.00 0.00 C ATOM 129 CG MET A 1 -2.921 -6.313 -31.729 1.00 0.00 C ATOM 130 SD MET A 1 -1.152 -6.642 -31.959 1.00 0.00 S ATOM 131 CE MET A 1 -1.060 -8.131 -30.938 1.00 0.00 C ATOM 0 H MET A 1 -2.708 -2.920 -30.454 1.00 0.00 H new ATOM 0 HA MET A 1 -4.850 -4.757 -31.455 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.216 -5.132 -30.058 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.509 -6.241 -29.648 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.474 -7.252 -31.718 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.301 -5.728 -32.567 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.233 -8.755 -31.278 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.898 -7.849 -29.898 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.993 -8.688 -31.022 1.00 0.00 H new ATOM 141 N GLU A 2 -5.548 -5.248 -28.845 1.00 0.00 N ATOM 142 CA GLU A 2 -6.342 -5.078 -27.638 1.00 0.00 C ATOM 143 C GLU A 2 -5.807 -6.014 -26.581 1.00 0.00 C ATOM 144 O GLU A 2 -4.895 -6.781 -26.817 1.00 0.00 O ATOM 145 CB GLU A 2 -7.800 -5.431 -27.955 1.00 0.00 C ATOM 146 CG GLU A 2 -8.732 -4.332 -27.441 1.00 0.00 C ATOM 147 CD GLU A 2 -10.141 -4.551 -28.000 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.575 -5.692 -28.033 1.00 0.00 O ATOM 149 OE2 GLU A 2 -10.765 -3.575 -28.383 1.00 0.00 O ATOM 0 H GLU A 2 -5.488 -6.204 -29.196 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.288 -4.050 -27.280 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.927 -5.552 -29.031 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.060 -6.384 -27.494 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.756 -4.342 -26.351 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.358 -3.354 -27.742 1.00 0.00 H new ATOM 156 N ALA A 3 -6.372 -5.948 -25.434 1.00 0.00 N ATOM 157 CA ALA A 3 -5.940 -6.826 -24.319 1.00 0.00 C ATOM 158 C ALA A 3 -7.064 -6.940 -23.295 1.00 0.00 C ATOM 159 O ALA A 3 -7.470 -5.981 -22.681 1.00 0.00 O ATOM 160 CB ALA A 3 -4.703 -6.256 -23.698 1.00 0.00 C ATOM 0 H ALA A 3 -7.135 -5.311 -25.205 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.715 -7.825 -24.692 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.380 -6.896 -22.877 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.913 -6.199 -24.447 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -4.914 -5.257 -23.317 1.00 0.00 H new ATOM 166 N ILE A 4 -7.577 -8.113 -23.147 1.00 0.00 N ATOM 167 CA ILE A 4 -8.711 -8.358 -22.218 1.00 0.00 C ATOM 168 C ILE A 4 -8.329 -8.189 -20.768 1.00 0.00 C ATOM 169 O ILE A 4 -7.553 -8.938 -20.223 1.00 0.00 O ATOM 170 CB ILE A 4 -9.222 -9.769 -22.439 1.00 0.00 C ATOM 171 CG1 ILE A 4 -10.324 -10.104 -21.411 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.079 -10.773 -22.313 1.00 0.00 C ATOM 173 CD1 ILE A 4 -11.457 -10.776 -22.115 1.00 0.00 C ATOM 0 H ILE A 4 -7.253 -8.943 -23.643 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.481 -7.617 -22.434 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.640 -9.831 -23.444 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.927 -10.754 -20.631 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.671 -9.194 -20.921 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.461 -11.781 -22.474 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.316 -10.551 -23.059 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.643 -10.705 -21.316 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.241 -11.017 -21.396 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -11.857 -10.109 -22.879 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.101 -11.693 -22.584 1.00 0.00 H new ATOM 185 N ALA A 5 -8.962 -7.256 -20.132 1.00 0.00 N ATOM 186 CA ALA A 5 -8.740 -7.063 -18.658 1.00 0.00 C ATOM 187 C ALA A 5 -9.415 -8.246 -17.952 1.00 0.00 C ATOM 188 O ALA A 5 -10.625 -8.372 -17.970 1.00 0.00 O ATOM 189 CB ALA A 5 -9.390 -5.766 -18.179 1.00 0.00 C ATOM 0 H ALA A 5 -9.627 -6.611 -20.558 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.673 -7.010 -18.440 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.217 -5.646 -17.109 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.955 -4.922 -18.714 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.462 -5.804 -18.371 1.00 0.00 H new ATOM 195 N LYS A 6 -8.651 -9.130 -17.371 1.00 0.00 N ATOM 196 CA LYS A 6 -9.248 -10.325 -16.708 1.00 0.00 C ATOM 197 C LYS A 6 -10.001 -9.934 -15.429 1.00 0.00 C ATOM 198 O LYS A 6 -10.906 -10.629 -15.006 1.00 0.00 O ATOM 199 CB LYS A 6 -8.136 -11.297 -16.326 1.00 0.00 C ATOM 200 CG LYS A 6 -7.335 -11.663 -17.567 1.00 0.00 C ATOM 201 CD LYS A 6 -5.930 -12.106 -17.158 1.00 0.00 C ATOM 202 CE LYS A 6 -6.008 -13.392 -16.331 1.00 0.00 C ATOM 203 NZ LYS A 6 -4.796 -14.222 -16.590 1.00 0.00 N ATOM 0 H LYS A 6 -7.633 -9.076 -17.327 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.947 -10.783 -17.408 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.484 -10.845 -15.579 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.561 -12.194 -15.876 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.835 -12.463 -18.112 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.276 -10.807 -18.240 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.319 -12.271 -18.045 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.446 -11.320 -16.579 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.078 -13.152 -15.270 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.907 -13.951 -16.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.847 -15.096 -16.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.749 -14.462 -17.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.945 -13.688 -16.321 1.00 0.00 H new ATOM 217 N TYR A 7 -9.617 -8.848 -14.787 1.00 0.00 N ATOM 218 CA TYR A 7 -10.301 -8.458 -13.501 1.00 0.00 C ATOM 219 C TYR A 7 -10.384 -6.951 -13.371 1.00 0.00 C ATOM 220 O TYR A 7 -10.018 -6.202 -14.256 1.00 0.00 O ATOM 221 CB TYR A 7 -9.511 -8.998 -12.287 1.00 0.00 C ATOM 222 CG TYR A 7 -8.961 -10.375 -12.571 1.00 0.00 C ATOM 223 CD1 TYR A 7 -9.823 -11.470 -12.654 1.00 0.00 C ATOM 224 CD2 TYR A 7 -7.590 -10.544 -12.755 1.00 0.00 C ATOM 225 CE1 TYR A 7 -9.308 -12.744 -12.923 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.070 -11.813 -13.025 1.00 0.00 C ATOM 227 CZ TYR A 7 -7.930 -12.915 -13.109 1.00 0.00 C ATOM 228 OH TYR A 7 -7.419 -14.169 -13.376 1.00 0.00 O ATOM 0 H TYR A 7 -8.871 -8.223 -15.091 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.304 -8.884 -13.521 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.693 -8.318 -12.048 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.161 -9.035 -11.413 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -10.885 -11.335 -12.511 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.928 -9.693 -12.689 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.972 -13.593 -12.987 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.008 -11.943 -13.168 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.088 -14.699 -13.858 1.00 0.00 H new ATOM 238 N ASP A 8 -10.873 -6.518 -12.249 1.00 0.00 N ATOM 239 CA ASP A 8 -11.014 -5.073 -11.980 1.00 0.00 C ATOM 240 C ASP A 8 -9.654 -4.493 -11.581 1.00 0.00 C ATOM 241 O ASP A 8 -8.729 -5.212 -11.277 1.00 0.00 O ATOM 242 CB ASP A 8 -12.000 -4.909 -10.832 1.00 0.00 C ATOM 243 CG ASP A 8 -13.300 -4.281 -11.333 1.00 0.00 C ATOM 244 OD1 ASP A 8 -13.333 -3.074 -11.471 1.00 0.00 O ATOM 245 OD2 ASP A 8 -14.242 -5.021 -11.563 1.00 0.00 O ATOM 0 H ASP A 8 -11.188 -7.123 -11.491 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.372 -4.549 -12.866 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.207 -5.879 -10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.562 -4.283 -10.055 1.00 0.00 H new ATOM 250 N PHE A 9 -9.548 -3.191 -11.561 1.00 0.00 N ATOM 251 CA PHE A 9 -8.269 -2.525 -11.174 1.00 0.00 C ATOM 252 C PHE A 9 -8.395 -1.011 -11.370 1.00 0.00 C ATOM 253 O PHE A 9 -9.402 -0.513 -11.841 1.00 0.00 O ATOM 254 CB PHE A 9 -7.101 -3.042 -12.044 1.00 0.00 C ATOM 255 CG PHE A 9 -5.857 -3.185 -11.194 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.927 -3.836 -9.957 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.641 -2.662 -11.640 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.781 -3.964 -9.165 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.491 -2.789 -10.850 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.562 -3.440 -9.612 1.00 0.00 C ATOM 0 H PHE A 9 -10.305 -2.551 -11.800 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.067 -2.754 -10.128 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.363 -4.003 -12.488 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.914 -2.352 -12.866 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.868 -4.240 -9.613 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.587 -2.159 -12.594 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.836 -4.466 -8.210 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.551 -2.385 -11.195 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.676 -3.538 -9.002 1.00 0.00 H new ATOM 270 N LYS A 10 -7.367 -0.284 -11.015 1.00 0.00 N ATOM 271 CA LYS A 10 -7.396 1.202 -11.174 1.00 0.00 C ATOM 272 C LYS A 10 -6.008 1.712 -11.456 1.00 0.00 C ATOM 273 O LYS A 10 -5.020 1.056 -11.175 1.00 0.00 O ATOM 274 CB LYS A 10 -7.928 1.846 -9.886 1.00 0.00 C ATOM 275 CG LYS A 10 -9.379 2.307 -10.090 1.00 0.00 C ATOM 276 CD LYS A 10 -10.329 1.373 -9.334 1.00 0.00 C ATOM 277 CE LYS A 10 -10.139 1.563 -7.827 1.00 0.00 C ATOM 278 NZ LYS A 10 -10.896 0.507 -7.097 1.00 0.00 N ATOM 0 H LYS A 10 -6.504 -0.657 -10.620 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.050 1.461 -12.007 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.877 1.132 -9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.303 2.695 -9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.499 3.330 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.624 2.309 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.362 1.585 -9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.132 0.337 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.080 1.509 -7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.489 2.551 -7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.769 0.634 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.907 0.579 -7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.542 -0.430 -7.376 1.00 0.00 H new ATOM 292 N ALA A 11 -5.926 2.890 -12.007 1.00 0.00 N ATOM 293 CA ALA A 11 -4.610 3.464 -12.310 1.00 0.00 C ATOM 294 C ALA A 11 -3.956 3.877 -10.992 1.00 0.00 C ATOM 295 O ALA A 11 -4.576 4.524 -10.166 1.00 0.00 O ATOM 296 CB ALA A 11 -4.760 4.679 -13.211 1.00 0.00 C ATOM 0 H ALA A 11 -6.724 3.474 -12.257 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.994 2.728 -12.827 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.776 5.095 -13.428 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.242 4.384 -14.143 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.369 5.431 -12.709 1.00 0.00 H new ATOM 302 N THR A 12 -2.724 3.505 -10.778 1.00 0.00 N ATOM 303 CA THR A 12 -2.044 3.870 -9.496 1.00 0.00 C ATOM 304 C THR A 12 -1.006 4.963 -9.753 1.00 0.00 C ATOM 305 O THR A 12 -1.073 6.038 -9.182 1.00 0.00 O ATOM 306 CB THR A 12 -1.362 2.631 -8.913 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.738 1.899 -9.960 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.409 1.751 -8.223 1.00 0.00 C ATOM 0 H THR A 12 -2.157 2.965 -11.432 1.00 0.00 H new ATOM 0 HA THR A 12 -2.783 4.244 -8.787 1.00 0.00 H new ATOM 0 HB THR A 12 -0.609 2.936 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.401 1.327 -10.400 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.925 0.868 -7.807 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.887 2.314 -7.421 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.162 1.444 -8.949 1.00 0.00 H new ATOM 316 N ALA A 13 -0.050 4.702 -10.607 1.00 0.00 N ATOM 317 CA ALA A 13 0.992 5.728 -10.907 1.00 0.00 C ATOM 318 C ALA A 13 0.352 6.917 -11.576 1.00 0.00 C ATOM 319 O ALA A 13 -0.837 6.943 -11.839 1.00 0.00 O ATOM 320 CB ALA A 13 2.051 5.140 -11.839 1.00 0.00 C ATOM 0 H ALA A 13 0.054 3.821 -11.110 1.00 0.00 H new ATOM 0 HA ALA A 13 1.462 6.038 -9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.807 5.895 -12.053 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.521 4.281 -11.360 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.581 4.824 -12.770 1.00 0.00 H new ATOM 326 N ASP A 14 1.143 7.901 -11.848 1.00 0.00 N ATOM 327 CA ASP A 14 0.638 9.121 -12.500 1.00 0.00 C ATOM 328 C ASP A 14 0.432 8.879 -14.006 1.00 0.00 C ATOM 329 O ASP A 14 -0.033 9.751 -14.719 1.00 0.00 O ATOM 330 CB ASP A 14 1.662 10.203 -12.274 1.00 0.00 C ATOM 331 CG ASP A 14 0.985 11.574 -12.304 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.882 12.139 -13.381 1.00 0.00 O ATOM 333 OD2 ASP A 14 0.582 12.038 -11.249 1.00 0.00 O ATOM 0 H ASP A 14 2.142 7.910 -11.640 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.326 9.411 -12.082 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.157 10.053 -11.314 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.434 10.152 -13.042 1.00 0.00 H new ATOM 338 N ASP A 15 0.763 7.697 -14.494 1.00 0.00 N ATOM 339 CA ASP A 15 0.580 7.395 -15.911 1.00 0.00 C ATOM 340 C ASP A 15 0.022 5.977 -16.054 1.00 0.00 C ATOM 341 O ASP A 15 0.264 5.303 -17.038 1.00 0.00 O ATOM 342 CB ASP A 15 1.923 7.495 -16.633 1.00 0.00 C ATOM 343 CG ASP A 15 2.187 8.951 -17.019 1.00 0.00 C ATOM 344 OD1 ASP A 15 1.293 9.567 -17.576 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.278 9.426 -16.752 1.00 0.00 O ATOM 0 H ASP A 15 1.156 6.935 -13.941 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.117 8.108 -16.352 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.722 7.128 -15.989 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.917 6.867 -17.524 1.00 0.00 H new ATOM 350 N GLU A 16 -0.725 5.518 -15.071 1.00 0.00 N ATOM 351 CA GLU A 16 -1.298 4.146 -15.143 1.00 0.00 C ATOM 352 C GLU A 16 -2.719 4.223 -15.714 1.00 0.00 C ATOM 353 O GLU A 16 -3.249 5.299 -15.928 1.00 0.00 O ATOM 354 CB GLU A 16 -1.324 3.540 -13.737 1.00 0.00 C ATOM 355 CG GLU A 16 -1.465 2.025 -13.836 1.00 0.00 C ATOM 356 CD GLU A 16 -0.769 1.364 -12.647 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.399 1.647 -12.437 1.00 0.00 O ATOM 358 OE2 GLU A 16 -1.415 0.585 -11.966 1.00 0.00 O ATOM 0 H GLU A 16 -0.958 6.040 -14.226 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.688 3.517 -15.792 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.409 3.796 -13.203 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.154 3.956 -13.166 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.519 1.749 -13.852 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.028 1.670 -14.769 1.00 0.00 H new ATOM 365 N LEU A 17 -3.328 3.093 -15.987 1.00 0.00 N ATOM 366 CA LEU A 17 -4.703 3.103 -16.575 1.00 0.00 C ATOM 367 C LEU A 17 -5.672 2.279 -15.722 1.00 0.00 C ATOM 368 O LEU A 17 -5.407 1.141 -15.381 1.00 0.00 O ATOM 369 CB LEU A 17 -4.636 2.501 -17.984 1.00 0.00 C ATOM 370 CG LEU A 17 -5.676 3.149 -18.897 1.00 0.00 C ATOM 371 CD1 LEU A 17 -5.482 2.635 -20.328 1.00 0.00 C ATOM 372 CD2 LEU A 17 -7.078 2.784 -18.421 1.00 0.00 C ATOM 0 H LEU A 17 -2.932 2.167 -15.828 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.065 4.130 -16.609 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.639 2.646 -18.400 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.808 1.426 -17.934 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.554 4.232 -18.871 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.222 3.095 -20.983 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.481 2.892 -20.674 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.605 1.552 -20.345 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.817 3.248 -19.075 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.200 1.701 -18.446 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.221 3.141 -17.401 1.00 0.00 H new ATOM 384 N SER A 18 -6.805 2.856 -15.386 1.00 0.00 N ATOM 385 CA SER A 18 -7.805 2.159 -14.583 1.00 0.00 C ATOM 386 C SER A 18 -8.704 1.309 -15.490 1.00 0.00 C ATOM 387 O SER A 18 -8.780 1.531 -16.683 1.00 0.00 O ATOM 388 CB SER A 18 -8.630 3.218 -13.884 1.00 0.00 C ATOM 389 OG SER A 18 -9.644 3.714 -14.759 1.00 0.00 O ATOM 0 H SER A 18 -7.064 3.806 -15.653 1.00 0.00 H new ATOM 0 HA SER A 18 -7.330 1.496 -13.860 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.087 2.800 -12.987 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.986 4.036 -13.562 1.00 0.00 H new ATOM 0 HG SER A 18 -10.172 4.397 -14.295 1.00 0.00 H new ATOM 395 N PHE A 19 -9.402 0.356 -14.930 1.00 0.00 N ATOM 396 CA PHE A 19 -10.316 -0.493 -15.758 1.00 0.00 C ATOM 397 C PHE A 19 -11.059 -1.484 -14.858 1.00 0.00 C ATOM 398 O PHE A 19 -10.747 -1.628 -13.693 1.00 0.00 O ATOM 399 CB PHE A 19 -9.507 -1.251 -16.819 1.00 0.00 C ATOM 400 CG PHE A 19 -8.437 -2.080 -16.154 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.773 -3.295 -15.551 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.110 -1.635 -16.147 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.780 -4.068 -14.938 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.117 -2.406 -15.535 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.452 -3.624 -14.929 1.00 0.00 C ATOM 0 H PHE A 19 -9.380 0.127 -13.936 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.043 0.147 -16.259 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.167 -1.893 -17.402 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.053 -0.546 -17.515 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.797 -3.637 -15.558 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.853 -0.696 -16.614 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.038 -5.007 -14.472 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.093 -2.063 -15.529 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.686 -4.220 -14.455 1.00 0.00 H new ATOM 415 N LYS A 20 -12.051 -2.152 -15.391 1.00 0.00 N ATOM 416 CA LYS A 20 -12.836 -3.121 -14.578 1.00 0.00 C ATOM 417 C LYS A 20 -12.652 -4.529 -15.124 1.00 0.00 C ATOM 418 O LYS A 20 -11.930 -4.757 -16.077 1.00 0.00 O ATOM 419 CB LYS A 20 -14.317 -2.756 -14.654 1.00 0.00 C ATOM 420 CG LYS A 20 -14.514 -1.299 -14.247 1.00 0.00 C ATOM 421 CD LYS A 20 -14.854 -1.217 -12.755 1.00 0.00 C ATOM 422 CE LYS A 20 -15.873 -0.102 -12.521 1.00 0.00 C ATOM 423 NZ LYS A 20 -16.452 -0.236 -11.155 1.00 0.00 N ATOM 0 H LYS A 20 -12.350 -2.065 -16.362 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.488 -3.083 -13.546 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.688 -2.913 -15.667 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.895 -3.407 -13.998 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.609 -0.728 -14.455 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.315 -0.852 -14.837 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.257 -2.170 -12.411 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.951 -1.025 -12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.395 0.871 -12.631 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.664 -0.155 -13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.145 0.523 -10.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.923 -1.159 -11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.693 -0.165 -10.448 1.00 0.00 H new ATOM 437 N ARG A 21 -13.312 -5.472 -14.519 1.00 0.00 N ATOM 438 CA ARG A 21 -13.216 -6.883 -14.962 1.00 0.00 C ATOM 439 C ARG A 21 -13.959 -7.062 -16.286 1.00 0.00 C ATOM 440 O ARG A 21 -15.173 -7.144 -16.325 1.00 0.00 O ATOM 441 CB ARG A 21 -13.852 -7.745 -13.894 1.00 0.00 C ATOM 442 CG ARG A 21 -13.646 -9.220 -14.212 1.00 0.00 C ATOM 443 CD ARG A 21 -13.555 -9.994 -12.898 1.00 0.00 C ATOM 444 NE ARG A 21 -14.321 -11.267 -13.012 1.00 0.00 N ATOM 445 CZ ARG A 21 -15.624 -11.250 -12.967 1.00 0.00 C ATOM 446 NH1 ARG A 21 -16.237 -11.083 -11.826 1.00 0.00 N ATOM 447 NH2 ARG A 21 -16.317 -11.400 -14.063 1.00 0.00 N ATOM 0 H ARG A 21 -13.926 -5.319 -13.719 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.174 -7.167 -15.111 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.417 -7.512 -12.922 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.918 -7.526 -13.827 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.472 -9.596 -14.816 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.736 -9.358 -14.796 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.512 -10.206 -12.661 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.952 -9.391 -12.081 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.826 -12.152 -13.125 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.696 -10.966 -10.969 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.256 -11.070 -11.792 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.839 -11.531 -14.955 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.336 -11.387 -14.028 1.00 0.00 H new ATOM 461 N GLY A 22 -13.234 -7.113 -17.371 1.00 0.00 N ATOM 462 CA GLY A 22 -13.878 -7.277 -18.707 1.00 0.00 C ATOM 463 C GLY A 22 -13.657 -6.013 -19.556 1.00 0.00 C ATOM 464 O GLY A 22 -14.176 -5.901 -20.653 1.00 0.00 O ATOM 0 H GLY A 22 -12.216 -7.048 -17.390 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.461 -8.145 -19.217 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.945 -7.461 -18.585 1.00 0.00 H new ATOM 468 N ASP A 23 -12.890 -5.060 -19.061 1.00 0.00 N ATOM 469 CA ASP A 23 -12.639 -3.846 -19.799 1.00 0.00 C ATOM 470 C ASP A 23 -11.427 -4.060 -20.689 1.00 0.00 C ATOM 471 O ASP A 23 -10.305 -3.817 -20.282 1.00 0.00 O ATOM 472 CB ASP A 23 -12.346 -2.739 -18.805 1.00 0.00 C ATOM 473 CG ASP A 23 -13.601 -1.895 -18.578 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.503 -2.378 -17.914 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.639 -0.781 -19.073 1.00 0.00 O ATOM 0 H ASP A 23 -12.432 -5.107 -18.151 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.500 -3.580 -20.412 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.009 -3.167 -17.861 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.537 -2.110 -19.176 1.00 0.00 H new ATOM 480 N ILE A 24 -11.634 -4.516 -21.887 1.00 0.00 N ATOM 481 CA ILE A 24 -10.478 -4.749 -22.792 1.00 0.00 C ATOM 482 C ILE A 24 -9.919 -3.401 -23.229 1.00 0.00 C ATOM 483 O ILE A 24 -10.632 -2.535 -23.697 1.00 0.00 O ATOM 484 CB ILE A 24 -10.885 -5.590 -24.005 1.00 0.00 C ATOM 485 CG1 ILE A 24 -11.826 -6.741 -23.534 1.00 0.00 C ATOM 486 CG2 ILE A 24 -9.603 -6.156 -24.639 1.00 0.00 C ATOM 487 CD1 ILE A 24 -11.942 -7.834 -24.600 1.00 0.00 C ATOM 0 H ILE A 24 -12.549 -4.737 -22.280 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.710 -5.308 -22.258 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.420 -4.989 -24.741 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.443 -7.171 -22.609 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.815 -6.338 -23.313 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.863 -6.761 -25.508 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.957 -5.335 -24.949 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.079 -6.774 -23.910 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.604 -8.622 -24.242 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.348 -7.407 -25.517 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.956 -8.252 -24.801 1.00 0.00 H new ATOM 499 N LEU A 25 -8.650 -3.216 -23.025 1.00 0.00 N ATOM 500 CA LEU A 25 -7.996 -1.922 -23.355 1.00 0.00 C ATOM 501 C LEU A 25 -7.391 -1.952 -24.760 1.00 0.00 C ATOM 502 O LEU A 25 -7.312 -2.992 -25.397 1.00 0.00 O ATOM 503 CB LEU A 25 -6.890 -1.681 -22.331 1.00 0.00 C ATOM 504 CG LEU A 25 -7.481 -1.756 -20.915 1.00 0.00 C ATOM 505 CD1 LEU A 25 -7.291 -3.169 -20.337 1.00 0.00 C ATOM 506 CD2 LEU A 25 -6.773 -0.741 -20.020 1.00 0.00 C ATOM 0 H LEU A 25 -8.024 -3.921 -22.635 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.738 -1.124 -23.327 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.102 -2.425 -22.448 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.433 -0.705 -22.495 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.547 -1.531 -20.959 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.713 -3.211 -19.333 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.797 -3.894 -20.974 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.228 -3.404 -20.293 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.189 -0.791 -19.014 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.708 -0.969 -19.984 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.916 0.262 -20.423 1.00 0.00 H new ATOM 518 N LYS A 26 -6.945 -0.806 -25.238 1.00 0.00 N ATOM 519 CA LYS A 26 -6.321 -0.743 -26.611 1.00 0.00 C ATOM 520 C LYS A 26 -4.812 -0.579 -26.445 1.00 0.00 C ATOM 521 O LYS A 26 -4.337 0.492 -26.146 1.00 0.00 O ATOM 522 CB LYS A 26 -6.895 0.458 -27.380 1.00 0.00 C ATOM 523 CG LYS A 26 -6.588 0.316 -28.883 1.00 0.00 C ATOM 524 CD LYS A 26 -7.881 0.480 -29.700 1.00 0.00 C ATOM 525 CE LYS A 26 -7.609 1.338 -30.939 1.00 0.00 C ATOM 526 NZ LYS A 26 -7.985 2.752 -30.658 1.00 0.00 N ATOM 0 H LYS A 26 -6.985 0.084 -24.741 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.538 -1.654 -27.168 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.972 0.519 -27.224 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.465 1.384 -26.998 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.858 1.067 -29.186 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.143 -0.659 -29.082 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.259 -0.498 -30.000 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.653 0.946 -29.087 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.555 1.278 -31.211 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.180 0.961 -31.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.800 3.334 -31.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.996 2.801 -30.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.422 3.109 -29.860 1.00 0.00 H new ATOM 540 N VAL A 27 -4.056 -1.640 -26.605 1.00 0.00 N ATOM 541 CA VAL A 27 -2.575 -1.543 -26.397 1.00 0.00 C ATOM 542 C VAL A 27 -1.908 -0.628 -27.426 1.00 0.00 C ATOM 543 O VAL A 27 -1.717 -0.990 -28.571 1.00 0.00 O ATOM 544 CB VAL A 27 -1.943 -2.936 -26.470 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.482 -2.850 -26.018 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.700 -3.892 -25.539 1.00 0.00 C ATOM 0 H VAL A 27 -4.398 -2.564 -26.869 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.415 -1.110 -25.409 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.994 -3.306 -27.494 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.027 -3.839 -26.068 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.061 -2.167 -26.671 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.439 -2.482 -24.993 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.250 -4.883 -25.591 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.645 -3.522 -24.515 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.744 -3.951 -25.848 1.00 0.00 H new ATOM 556 N LEU A 28 -1.514 0.549 -26.997 1.00 0.00 N ATOM 557 CA LEU A 28 -0.811 1.495 -27.909 1.00 0.00 C ATOM 558 C LEU A 28 0.662 1.091 -27.936 1.00 0.00 C ATOM 559 O LEU A 28 1.329 1.203 -28.947 1.00 0.00 O ATOM 560 CB LEU A 28 -0.900 2.962 -27.404 1.00 0.00 C ATOM 561 CG LEU A 28 -2.222 3.238 -26.647 1.00 0.00 C ATOM 562 CD1 LEU A 28 -1.908 3.657 -25.204 1.00 0.00 C ATOM 563 CD2 LEU A 28 -2.987 4.372 -27.342 1.00 0.00 C ATOM 0 H LEU A 28 -1.653 0.893 -26.047 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.277 1.447 -28.893 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.056 3.170 -26.747 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.819 3.642 -28.252 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.830 2.333 -26.645 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.839 3.851 -24.671 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.363 2.857 -24.703 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.299 4.561 -25.212 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.917 4.564 -26.807 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.376 5.275 -27.344 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.212 4.083 -28.369 1.00 0.00 H new ATOM 575 N ASN A 29 1.176 0.607 -26.815 1.00 0.00 N ATOM 576 CA ASN A 29 2.613 0.183 -26.776 1.00 0.00 C ATOM 577 C ASN A 29 2.700 -1.287 -26.365 1.00 0.00 C ATOM 578 O ASN A 29 2.367 -1.658 -25.245 1.00 0.00 O ATOM 579 CB ASN A 29 3.405 1.036 -25.784 1.00 0.00 C ATOM 580 CG ASN A 29 4.893 0.963 -26.127 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.261 0.915 -27.285 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.772 0.951 -25.163 1.00 0.00 N ATOM 0 H ASN A 29 0.664 0.491 -25.941 1.00 0.00 H new ATOM 0 HA ASN A 29 3.041 0.318 -27.769 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.062 2.070 -25.822 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.237 0.681 -24.767 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.767 0.901 -25.381 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.464 0.991 -24.191 1.00 0.00 H new ATOM 589 N GLU A 30 3.142 -2.121 -27.270 1.00 0.00 N ATOM 590 CA GLU A 30 3.263 -3.580 -26.985 1.00 0.00 C ATOM 591 C GLU A 30 4.740 -3.957 -26.864 1.00 0.00 C ATOM 592 O GLU A 30 5.586 -3.108 -26.674 1.00 0.00 O ATOM 593 CB GLU A 30 2.618 -4.359 -28.145 1.00 0.00 C ATOM 594 CG GLU A 30 1.854 -5.571 -27.597 1.00 0.00 C ATOM 595 CD GLU A 30 2.066 -6.775 -28.520 1.00 0.00 C ATOM 596 OE1 GLU A 30 3.020 -7.504 -28.302 1.00 0.00 O ATOM 597 OE2 GLU A 30 1.271 -6.946 -29.430 1.00 0.00 O ATOM 0 H GLU A 30 3.429 -1.847 -28.210 1.00 0.00 H new ATOM 0 HA GLU A 30 2.760 -3.824 -26.049 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.939 -3.710 -28.698 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.386 -4.688 -28.845 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.200 -5.807 -26.591 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.791 -5.340 -27.523 1.00 0.00 H new ATOM 604 N GLU A 31 5.026 -5.240 -26.968 1.00 0.00 N ATOM 605 CA GLU A 31 6.446 -5.795 -26.872 1.00 0.00 C ATOM 606 C GLU A 31 6.755 -6.189 -25.432 1.00 0.00 C ATOM 607 O GLU A 31 5.946 -6.023 -24.540 1.00 0.00 O ATOM 608 CB GLU A 31 7.510 -4.788 -27.372 1.00 0.00 C ATOM 609 CG GLU A 31 7.076 -4.197 -28.724 1.00 0.00 C ATOM 610 CD GLU A 31 8.255 -4.219 -29.703 1.00 0.00 C ATOM 611 OE1 GLU A 31 9.275 -3.631 -29.385 1.00 0.00 O ATOM 612 OE2 GLU A 31 8.116 -4.825 -30.753 1.00 0.00 O ATOM 0 H GLU A 31 4.317 -5.957 -27.121 1.00 0.00 H new ATOM 0 HA GLU A 31 6.492 -6.671 -27.520 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.640 -3.990 -26.641 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.474 -5.286 -27.475 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.243 -4.770 -29.131 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.723 -3.175 -28.588 1.00 0.00 H new ATOM 619 N CYS A 32 7.927 -6.737 -25.206 1.00 0.00 N ATOM 620 CA CYS A 32 8.321 -7.183 -23.825 1.00 0.00 C ATOM 621 C CYS A 32 8.061 -6.079 -22.795 1.00 0.00 C ATOM 622 O CYS A 32 7.969 -4.911 -23.126 1.00 0.00 O ATOM 623 CB CYS A 32 9.808 -7.535 -23.807 1.00 0.00 C ATOM 624 SG CYS A 32 10.092 -9.014 -24.812 1.00 0.00 S ATOM 0 H CYS A 32 8.634 -6.896 -25.923 1.00 0.00 H new ATOM 0 HA CYS A 32 7.721 -8.055 -23.565 1.00 0.00 H new ATOM 0 HB2 CYS A 32 10.394 -6.702 -24.194 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.139 -7.709 -22.783 1.00 0.00 H new ATOM 0 HG CYS A 32 11.357 -9.312 -24.798 1.00 0.00 H new ATOM 630 N ASP A 33 7.941 -6.453 -21.545 1.00 0.00 N ATOM 631 CA ASP A 33 7.687 -5.480 -20.482 1.00 0.00 C ATOM 632 C ASP A 33 7.739 -6.181 -19.147 1.00 0.00 C ATOM 633 O ASP A 33 7.843 -7.396 -19.078 1.00 0.00 O ATOM 634 CB ASP A 33 6.312 -4.869 -20.690 1.00 0.00 C ATOM 635 CG ASP A 33 6.217 -3.523 -19.968 1.00 0.00 C ATOM 636 OD1 ASP A 33 7.231 -2.850 -19.875 1.00 0.00 O ATOM 637 OD2 ASP A 33 5.132 -3.187 -19.521 1.00 0.00 O ATOM 0 H ASP A 33 8.013 -7.420 -21.227 1.00 0.00 H new ATOM 0 HA ASP A 33 8.441 -4.693 -20.505 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.124 -4.733 -21.755 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.545 -5.546 -20.315 1.00 0.00 H new ATOM 642 N GLN A 34 7.678 -5.433 -18.076 1.00 0.00 N ATOM 643 CA GLN A 34 7.734 -6.059 -16.744 1.00 0.00 C ATOM 644 C GLN A 34 6.308 -6.405 -16.281 1.00 0.00 C ATOM 645 O GLN A 34 5.904 -6.050 -15.192 1.00 0.00 O ATOM 646 CB GLN A 34 8.391 -5.093 -15.745 1.00 0.00 C ATOM 647 CG GLN A 34 9.066 -5.890 -14.612 1.00 0.00 C ATOM 648 CD GLN A 34 8.539 -5.414 -13.253 1.00 0.00 C ATOM 649 OE1 GLN A 34 7.361 -5.518 -12.974 1.00 0.00 O ATOM 650 NE2 GLN A 34 9.369 -4.894 -12.390 1.00 0.00 N ATOM 0 H GLN A 34 7.592 -4.417 -18.077 1.00 0.00 H new ATOM 0 HA GLN A 34 8.326 -6.973 -16.795 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.129 -4.474 -16.256 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.641 -4.419 -15.331 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.867 -6.955 -14.736 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.147 -5.760 -14.658 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.358 -4.806 -12.623 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.028 -4.576 -11.483 1.00 0.00 H new ATOM 659 N ASN A 35 5.556 -7.114 -17.117 1.00 0.00 N ATOM 660 CA ASN A 35 4.144 -7.530 -16.796 1.00 0.00 C ATOM 661 C ASN A 35 3.165 -6.340 -16.837 1.00 0.00 C ATOM 662 O ASN A 35 2.299 -6.201 -16.000 1.00 0.00 O ATOM 663 CB ASN A 35 4.089 -8.192 -15.456 1.00 0.00 C ATOM 664 CG ASN A 35 4.302 -9.701 -15.602 1.00 0.00 C ATOM 665 OD1 ASN A 35 5.276 -10.135 -16.182 1.00 0.00 O ATOM 666 ND2 ASN A 35 3.422 -10.522 -15.099 1.00 0.00 N ATOM 0 H ASN A 35 5.879 -7.427 -18.033 1.00 0.00 H new ATOM 0 HA ASN A 35 3.834 -8.238 -17.564 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.853 -7.771 -14.803 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.125 -7.997 -14.985 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.552 -11.529 -15.193 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.604 -10.157 -14.612 1.00 0.00 H new ATOM 673 N TRP A 36 3.280 -5.535 -17.839 1.00 0.00 N ATOM 674 CA TRP A 36 2.329 -4.374 -18.043 1.00 0.00 C ATOM 675 C TRP A 36 2.220 -4.102 -19.554 1.00 0.00 C ATOM 676 O TRP A 36 2.901 -4.708 -20.358 1.00 0.00 O ATOM 677 CB TRP A 36 2.794 -3.074 -17.356 1.00 0.00 C ATOM 678 CG TRP A 36 3.106 -3.289 -15.906 1.00 0.00 C ATOM 679 CD1 TRP A 36 4.197 -3.923 -15.449 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.372 -2.837 -14.718 1.00 0.00 C ATOM 681 NE1 TRP A 36 4.171 -3.926 -14.067 1.00 0.00 N ATOM 682 CE2 TRP A 36 3.082 -3.263 -13.571 1.00 0.00 C ATOM 683 CE3 TRP A 36 1.174 -2.116 -14.515 1.00 0.00 C ATOM 684 CZ2 TRP A 36 2.638 -2.988 -12.280 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.733 -1.837 -13.201 1.00 0.00 C ATOM 686 CH2 TRP A 36 1.466 -2.271 -12.096 1.00 0.00 C ATOM 0 H TRP A 36 4.003 -5.617 -18.554 1.00 0.00 H new ATOM 0 HA TRP A 36 1.375 -4.655 -17.597 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.679 -2.691 -17.865 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.018 -2.315 -17.452 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.971 -4.360 -16.062 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.881 -4.371 -13.485 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.596 -1.778 -15.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.204 -3.332 -11.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.181 -1.282 -13.051 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.120 -2.048 -11.097 1.00 0.00 H new ATOM 697 N TYR A 37 1.380 -3.180 -19.929 1.00 0.00 N ATOM 698 CA TYR A 37 1.207 -2.819 -21.375 1.00 0.00 C ATOM 699 C TYR A 37 0.718 -1.383 -21.443 1.00 0.00 C ATOM 700 O TYR A 37 -0.086 -0.978 -20.627 1.00 0.00 O ATOM 701 CB TYR A 37 0.099 -3.658 -22.037 1.00 0.00 C ATOM 702 CG TYR A 37 0.489 -5.100 -22.220 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.741 -5.445 -22.734 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.446 -6.096 -21.915 1.00 0.00 C ATOM 705 CE1 TYR A 37 2.060 -6.795 -22.943 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.132 -7.439 -22.112 1.00 0.00 C ATOM 707 CZ TYR A 37 1.123 -7.793 -22.631 1.00 0.00 C ATOM 708 OH TYR A 37 1.433 -9.121 -22.844 1.00 0.00 O ATOM 0 H TYR A 37 0.792 -2.648 -19.287 1.00 0.00 H new ATOM 0 HA TYR A 37 2.160 -2.984 -21.878 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.803 -3.605 -21.428 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.146 -3.227 -23.008 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.461 -4.675 -22.970 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.415 -5.822 -21.525 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.026 -7.066 -23.344 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.852 -8.205 -21.866 1.00 0.00 H new ATOM 0 HH TYR A 37 2.399 -9.251 -22.744 1.00 0.00 H new ATOM 718 N LYS A 38 1.118 -0.623 -22.434 1.00 0.00 N ATOM 719 CA LYS A 38 0.565 0.756 -22.544 1.00 0.00 C ATOM 720 C LYS A 38 -0.712 0.622 -23.339 1.00 0.00 C ATOM 721 O LYS A 38 -0.761 -0.133 -24.291 1.00 0.00 O ATOM 722 CB LYS A 38 1.514 1.681 -23.277 1.00 0.00 C ATOM 723 CG LYS A 38 1.042 3.115 -23.071 1.00 0.00 C ATOM 724 CD LYS A 38 1.514 3.989 -24.241 1.00 0.00 C ATOM 725 CE LYS A 38 2.659 4.901 -23.779 1.00 0.00 C ATOM 726 NZ LYS A 38 3.945 4.411 -24.351 1.00 0.00 N ATOM 0 H LYS A 38 1.788 -0.892 -23.154 1.00 0.00 H new ATOM 0 HA LYS A 38 0.404 1.183 -21.554 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.530 1.558 -22.901 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.536 1.438 -24.339 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.045 3.143 -22.999 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.434 3.505 -22.132 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.848 3.359 -25.066 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.686 4.591 -24.615 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.473 5.926 -24.099 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.713 4.912 -22.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.721 5.028 -24.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.122 3.440 -24.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.890 4.423 -25.389 1.00 0.00 H new ATOM 740 N ALA A 39 -1.753 1.302 -22.954 1.00 0.00 N ATOM 741 CA ALA A 39 -3.034 1.157 -23.702 1.00 0.00 C ATOM 742 C ALA A 39 -3.984 2.241 -23.369 1.00 0.00 C ATOM 743 O ALA A 39 -3.644 3.206 -22.709 1.00 0.00 O ATOM 744 CB ALA A 39 -3.648 -0.191 -23.366 1.00 0.00 C ATOM 0 H ALA A 39 -1.775 1.946 -22.163 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.824 1.222 -24.770 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.586 -0.309 -23.908 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.960 -0.986 -23.654 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.838 -0.247 -22.294 1.00 0.00 H new ATOM 750 N GLU A 40 -5.175 2.122 -23.881 1.00 0.00 N ATOM 751 CA GLU A 40 -6.154 3.164 -23.656 1.00 0.00 C ATOM 752 C GLU A 40 -7.576 2.629 -23.756 1.00 0.00 C ATOM 753 O GLU A 40 -7.955 1.937 -24.677 1.00 0.00 O ATOM 754 CB GLU A 40 -5.857 4.292 -24.647 1.00 0.00 C ATOM 755 CG GLU A 40 -7.020 4.583 -25.609 1.00 0.00 C ATOM 756 CD GLU A 40 -6.541 5.498 -26.738 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.341 6.673 -26.477 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.384 5.008 -27.844 1.00 0.00 O ATOM 0 H GLU A 40 -5.494 1.335 -24.446 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.080 3.555 -22.641 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.619 5.199 -24.092 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.972 4.032 -25.227 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.404 3.651 -26.022 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.841 5.055 -25.069 1.00 0.00 H new ATOM 765 N LEU A 41 -8.340 2.992 -22.806 1.00 0.00 N ATOM 766 CA LEU A 41 -9.773 2.564 -22.757 1.00 0.00 C ATOM 767 C LEU A 41 -10.693 3.637 -23.224 1.00 0.00 C ATOM 768 O LEU A 41 -11.136 4.490 -22.485 1.00 0.00 O ATOM 769 CB LEU A 41 -10.166 2.127 -21.359 1.00 0.00 C ATOM 770 CG LEU A 41 -9.905 0.651 -21.244 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.774 0.266 -19.770 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.073 -0.096 -21.879 1.00 0.00 C ATOM 0 H LEU A 41 -8.046 3.584 -22.029 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.868 1.716 -23.436 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.591 2.675 -20.613 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.218 2.344 -21.173 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.978 0.390 -21.755 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.585 -0.804 -19.689 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.946 0.816 -19.323 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.698 0.512 -19.246 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.901 -1.170 -21.805 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.995 0.161 -21.358 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.158 0.186 -22.928 1.00 0.00 H new ATOM 784 N ASN A 42 -11.029 3.539 -24.455 1.00 0.00 N ATOM 785 CA ASN A 42 -11.989 4.483 -25.092 1.00 0.00 C ATOM 786 C ASN A 42 -11.775 5.963 -24.682 1.00 0.00 C ATOM 787 O ASN A 42 -12.700 6.756 -24.736 1.00 0.00 O ATOM 788 CB ASN A 42 -13.381 4.076 -24.672 1.00 0.00 C ATOM 789 CG ASN A 42 -13.958 3.073 -25.672 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.270 2.178 -26.120 1.00 0.00 O ATOM 791 ND2 ASN A 42 -15.205 3.185 -26.044 1.00 0.00 N ATOM 0 H ASN A 42 -10.671 2.820 -25.083 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.834 4.426 -26.169 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.354 3.634 -23.676 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.024 4.955 -24.614 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.600 2.521 -26.710 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -15.784 3.936 -25.668 1.00 0.00 H new ATOM 798 N GLY A 43 -10.600 6.334 -24.278 1.00 0.00 N ATOM 799 CA GLY A 43 -10.366 7.759 -23.868 1.00 0.00 C ATOM 800 C GLY A 43 -9.257 7.821 -22.828 1.00 0.00 C ATOM 801 O GLY A 43 -8.408 8.697 -22.868 1.00 0.00 O ATOM 0 H GLY A 43 -9.787 5.722 -24.210 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.095 8.357 -24.738 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.283 8.185 -23.461 1.00 0.00 H new ATOM 805 N LYS A 44 -9.233 6.882 -21.910 1.00 0.00 N ATOM 806 CA LYS A 44 -8.185 6.860 -20.910 1.00 0.00 C ATOM 807 C LYS A 44 -7.007 6.193 -21.515 1.00 0.00 C ATOM 808 O LYS A 44 -7.103 5.568 -22.550 1.00 0.00 O ATOM 809 CB LYS A 44 -8.628 6.099 -19.670 1.00 0.00 C ATOM 810 CG LYS A 44 -9.283 7.072 -18.693 1.00 0.00 C ATOM 811 CD LYS A 44 -10.544 7.692 -19.318 1.00 0.00 C ATOM 812 CE LYS A 44 -11.572 6.594 -19.608 1.00 0.00 C ATOM 813 NZ LYS A 44 -12.830 7.215 -20.112 1.00 0.00 N ATOM 0 H LYS A 44 -9.918 6.130 -21.833 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.945 7.878 -20.602 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.330 5.311 -19.943 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.772 5.614 -19.201 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.544 6.551 -17.772 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.578 7.859 -18.425 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.970 8.433 -18.641 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.286 8.214 -20.239 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.177 5.896 -20.346 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.773 6.021 -18.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.529 6.471 -20.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.209 7.864 -19.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.631 7.743 -20.985 1.00 0.00 H new ATOM 827 N ASP A 45 -5.908 6.333 -20.896 1.00 0.00 N ATOM 828 CA ASP A 45 -4.683 5.741 -21.419 1.00 0.00 C ATOM 829 C ASP A 45 -3.714 5.438 -20.269 1.00 0.00 C ATOM 830 O ASP A 45 -3.961 5.765 -19.123 1.00 0.00 O ATOM 831 CB ASP A 45 -4.036 6.761 -22.365 1.00 0.00 C ATOM 832 CG ASP A 45 -3.302 6.099 -23.547 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.199 5.632 -23.351 1.00 0.00 O ATOM 834 OD2 ASP A 45 -3.835 6.126 -24.641 1.00 0.00 O ATOM 0 H ASP A 45 -5.798 6.848 -20.022 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.910 4.812 -21.942 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.805 7.431 -22.750 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.331 7.374 -21.803 1.00 0.00 H new ATOM 839 N GLY A 46 -2.599 4.857 -20.591 1.00 0.00 N ATOM 840 CA GLY A 46 -1.560 4.556 -19.562 1.00 0.00 C ATOM 841 C GLY A 46 -1.288 3.058 -19.453 1.00 0.00 C ATOM 842 O GLY A 46 -1.934 2.244 -20.072 1.00 0.00 O ATOM 0 H GLY A 46 -2.354 4.571 -21.539 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.636 5.076 -19.815 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.885 4.938 -18.594 1.00 0.00 H new ATOM 846 N PHE A 47 -0.299 2.709 -18.671 1.00 0.00 N ATOM 847 CA PHE A 47 0.096 1.279 -18.512 1.00 0.00 C ATOM 848 C PHE A 47 -1.021 0.444 -17.898 1.00 0.00 C ATOM 849 O PHE A 47 -1.972 0.952 -17.350 1.00 0.00 O ATOM 850 CB PHE A 47 1.317 1.205 -17.596 1.00 0.00 C ATOM 851 CG PHE A 47 2.423 2.059 -18.163 1.00 0.00 C ATOM 852 CD1 PHE A 47 2.915 1.806 -19.448 1.00 0.00 C ATOM 853 CD2 PHE A 47 2.955 3.107 -17.403 1.00 0.00 C ATOM 854 CE1 PHE A 47 3.940 2.601 -19.974 1.00 0.00 C ATOM 855 CE2 PHE A 47 3.979 3.903 -17.927 1.00 0.00 C ATOM 856 CZ PHE A 47 4.472 3.649 -19.213 1.00 0.00 C ATOM 0 H PHE A 47 0.260 3.366 -18.127 1.00 0.00 H new ATOM 0 HA PHE A 47 0.316 0.879 -19.502 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.055 1.548 -16.595 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.652 0.172 -17.502 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.504 0.997 -20.034 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.575 3.301 -16.411 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.320 2.406 -20.966 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.389 4.712 -17.341 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.263 4.262 -19.618 1.00 0.00 H new ATOM 866 N ILE A 48 -0.876 -0.851 -17.975 1.00 0.00 N ATOM 867 CA ILE A 48 -1.872 -1.778 -17.391 1.00 0.00 C ATOM 868 C ILE A 48 -1.123 -3.102 -17.096 1.00 0.00 C ATOM 869 O ILE A 48 -0.605 -3.702 -18.005 1.00 0.00 O ATOM 870 CB ILE A 48 -3.034 -2.027 -18.374 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.500 -2.182 -19.809 1.00 0.00 C ATOM 872 CG2 ILE A 48 -4.010 -0.850 -18.317 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.574 -2.814 -20.703 1.00 0.00 C ATOM 0 H ILE A 48 -0.088 -1.311 -18.431 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.306 -1.358 -16.484 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.546 -2.946 -18.089 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.212 -1.209 -20.206 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.605 -2.803 -19.807 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.832 -1.025 -19.011 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.404 -0.753 -17.305 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.490 0.067 -18.594 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.187 -2.920 -21.717 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.841 -3.796 -20.312 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.458 -2.176 -20.717 1.00 0.00 H new ATOM 885 N PRO A 49 -1.056 -3.517 -15.833 1.00 0.00 N ATOM 886 CA PRO A 49 -0.325 -4.736 -15.465 1.00 0.00 C ATOM 887 C PRO A 49 -0.997 -5.992 -16.014 1.00 0.00 C ATOM 888 O PRO A 49 -2.078 -6.343 -15.641 1.00 0.00 O ATOM 889 CB PRO A 49 -0.308 -4.726 -13.931 1.00 0.00 C ATOM 890 CG PRO A 49 -1.479 -3.802 -13.505 1.00 0.00 C ATOM 891 CD PRO A 49 -1.714 -2.848 -14.701 1.00 0.00 C ATOM 0 HA PRO A 49 0.680 -4.751 -15.887 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.437 -5.732 -13.531 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.643 -4.352 -13.552 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.375 -4.382 -13.284 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.230 -3.244 -12.602 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.777 -2.701 -14.889 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.284 -1.864 -14.516 1.00 0.00 H new ATOM 899 N LYS A 50 -0.326 -6.646 -16.913 1.00 0.00 N ATOM 900 CA LYS A 50 -0.829 -7.899 -17.560 1.00 0.00 C ATOM 901 C LYS A 50 -1.497 -8.899 -16.576 1.00 0.00 C ATOM 902 O LYS A 50 -2.201 -9.784 -17.015 1.00 0.00 O ATOM 903 CB LYS A 50 0.371 -8.582 -18.173 1.00 0.00 C ATOM 904 CG LYS A 50 -0.066 -9.521 -19.274 1.00 0.00 C ATOM 905 CD LYS A 50 1.183 -10.010 -19.986 1.00 0.00 C ATOM 906 CE LYS A 50 0.862 -11.269 -20.794 1.00 0.00 C ATOM 907 NZ LYS A 50 1.030 -12.471 -19.927 1.00 0.00 N ATOM 0 H LYS A 50 0.593 -6.354 -17.245 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.595 -7.616 -18.282 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.058 -7.836 -18.573 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.913 -9.136 -17.407 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.625 -10.361 -18.861 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.729 -9.010 -19.972 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.564 -9.231 -20.646 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.967 -10.224 -19.259 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.159 -11.220 -21.173 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.521 -11.337 -21.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.812 -13.328 -20.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.011 -12.519 -19.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.384 -12.406 -19.115 1.00 0.00 H new ATOM 921 N ASN A 51 -1.263 -8.812 -15.277 1.00 0.00 N ATOM 922 CA ASN A 51 -1.873 -9.774 -14.344 1.00 0.00 C ATOM 923 C ASN A 51 -3.396 -9.669 -14.390 1.00 0.00 C ATOM 924 O ASN A 51 -4.105 -10.653 -14.288 1.00 0.00 O ATOM 925 CB ASN A 51 -1.367 -9.474 -12.971 1.00 0.00 C ATOM 926 CG ASN A 51 -0.090 -10.272 -12.696 1.00 0.00 C ATOM 927 OD1 ASN A 51 1.003 -9.788 -12.913 1.00 0.00 O ATOM 928 ND2 ASN A 51 -0.183 -11.486 -12.225 1.00 0.00 N ATOM 0 H ASN A 51 -0.670 -8.106 -14.841 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.604 -10.792 -14.626 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.167 -8.407 -12.874 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.128 -9.724 -12.232 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.661 -12.027 -12.040 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.100 -11.893 -12.042 1.00 0.00 H new ATOM 935 N TYR A 52 -3.891 -8.487 -14.580 1.00 0.00 N ATOM 936 CA TYR A 52 -5.353 -8.266 -14.684 1.00 0.00 C ATOM 937 C TYR A 52 -5.681 -8.125 -16.142 1.00 0.00 C ATOM 938 O TYR A 52 -6.555 -7.353 -16.520 1.00 0.00 O ATOM 939 CB TYR A 52 -5.722 -6.947 -13.991 1.00 0.00 C ATOM 940 CG TYR A 52 -5.396 -6.957 -12.557 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.075 -7.004 -12.133 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.422 -6.857 -11.646 1.00 0.00 C ATOM 943 CE1 TYR A 52 -3.788 -6.963 -10.786 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.149 -6.808 -10.303 1.00 0.00 C ATOM 945 CZ TYR A 52 -4.825 -6.865 -9.856 1.00 0.00 C ATOM 946 OH TYR A 52 -4.543 -6.814 -8.509 1.00 0.00 O ATOM 0 H TYR A 52 -3.329 -7.641 -14.670 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.895 -9.092 -14.222 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.194 -6.125 -14.475 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.788 -6.759 -14.117 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.276 -7.072 -12.856 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.445 -6.817 -11.989 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.763 -7.007 -10.450 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.956 -6.725 -9.590 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.111 -5.960 -8.297 1.00 0.00 H new ATOM 956 N ILE A 53 -4.955 -8.811 -16.994 1.00 0.00 N ATOM 957 CA ILE A 53 -5.202 -8.651 -18.430 1.00 0.00 C ATOM 958 C ILE A 53 -4.668 -9.829 -19.247 1.00 0.00 C ATOM 959 O ILE A 53 -3.990 -10.709 -18.759 1.00 0.00 O ATOM 960 CB ILE A 53 -4.498 -7.388 -18.974 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.189 -6.366 -17.883 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.369 -6.728 -20.025 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.266 -5.339 -18.460 1.00 0.00 C ATOM 0 H ILE A 53 -4.213 -9.465 -16.744 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.285 -8.582 -18.534 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.551 -7.717 -19.402 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.107 -5.897 -17.529 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.728 -6.853 -17.024 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.868 -5.838 -20.406 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.542 -7.426 -20.845 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.324 -6.446 -19.581 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.029 -4.595 -17.700 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.348 -5.822 -18.794 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.748 -4.851 -19.307 1.00 0.00 H new ATOM 975 N GLU A 54 -4.929 -9.770 -20.522 1.00 0.00 N ATOM 976 CA GLU A 54 -4.438 -10.757 -21.466 1.00 0.00 C ATOM 977 C GLU A 54 -4.294 -10.037 -22.810 1.00 0.00 C ATOM 978 O GLU A 54 -4.875 -8.978 -23.018 1.00 0.00 O ATOM 979 CB GLU A 54 -5.401 -11.916 -21.578 1.00 0.00 C ATOM 980 CG GLU A 54 -4.748 -13.195 -21.040 1.00 0.00 C ATOM 981 CD GLU A 54 -5.421 -14.415 -21.670 1.00 0.00 C ATOM 982 OE1 GLU A 54 -6.395 -14.887 -21.106 1.00 0.00 O ATOM 983 OE2 GLU A 54 -4.953 -14.856 -22.707 1.00 0.00 O ATOM 0 H GLU A 54 -5.492 -9.034 -20.948 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.484 -11.172 -21.140 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.311 -11.699 -21.018 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.693 -12.057 -22.619 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.682 -13.196 -21.269 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.841 -13.235 -19.955 1.00 0.00 H new ATOM 990 N MET A 55 -3.511 -10.567 -23.694 1.00 0.00 N ATOM 991 CA MET A 55 -3.276 -9.871 -25.000 1.00 0.00 C ATOM 992 C MET A 55 -4.087 -10.472 -26.142 1.00 0.00 C ATOM 993 O MET A 55 -3.822 -11.572 -26.593 1.00 0.00 O ATOM 994 CB MET A 55 -1.793 -9.970 -25.344 1.00 0.00 C ATOM 995 CG MET A 55 -1.422 -8.848 -26.304 1.00 0.00 C ATOM 996 SD MET A 55 -1.755 -9.374 -28.003 1.00 0.00 S ATOM 997 CE MET A 55 -0.525 -10.700 -28.076 1.00 0.00 C ATOM 0 H MET A 55 -3.018 -11.453 -23.579 1.00 0.00 H new ATOM 0 HA MET A 55 -3.594 -8.835 -24.884 1.00 0.00 H new ATOM 0 HB2 MET A 55 -1.192 -9.901 -24.437 1.00 0.00 H new ATOM 0 HB3 MET A 55 -1.577 -10.938 -25.797 1.00 0.00 H new ATOM 0 HG2 MET A 55 -1.995 -7.951 -26.071 1.00 0.00 H new ATOM 0 HG3 MET A 55 -0.369 -8.592 -26.191 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.054 -10.706 -29.059 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.234 -10.535 -27.311 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.013 -11.659 -27.902 1.00 0.00 H new ATOM 1007 N LYS A 56 -5.058 -9.734 -26.642 1.00 0.00 N ATOM 1008 CA LYS A 56 -5.854 -10.218 -27.760 1.00 0.00 C ATOM 1009 C LYS A 56 -5.337 -9.658 -29.094 1.00 0.00 C ATOM 1010 O LYS A 56 -5.006 -8.473 -29.192 1.00 0.00 O ATOM 1011 CB LYS A 56 -7.286 -9.834 -27.556 1.00 0.00 C ATOM 1012 CG LYS A 56 -7.989 -10.954 -26.803 1.00 0.00 C ATOM 1013 CD LYS A 56 -9.385 -10.494 -26.341 1.00 0.00 C ATOM 1014 CE LYS A 56 -10.208 -10.025 -27.550 1.00 0.00 C ATOM 1015 NZ LYS A 56 -11.650 -9.897 -27.170 1.00 0.00 N ATOM 0 H LYS A 56 -5.315 -8.808 -26.300 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.770 -11.304 -27.801 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.351 -8.902 -26.994 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.772 -9.662 -28.517 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.081 -11.830 -27.444 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.393 -11.252 -25.940 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.898 -11.312 -25.836 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.290 -9.683 -25.619 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.831 -9.067 -27.907 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.101 -10.735 -28.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.242 -10.339 -27.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.813 -10.372 -26.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.898 -8.891 -27.084 1.00 0.00 H new ATOM 1029 N PRO A 57 -5.268 -10.547 -30.104 1.00 0.00 N ATOM 1030 CA PRO A 57 -4.777 -10.193 -31.419 1.00 0.00 C ATOM 1031 C PRO A 57 -5.825 -9.430 -32.246 1.00 0.00 C ATOM 1032 O PRO A 57 -6.831 -8.978 -31.737 1.00 0.00 O ATOM 1033 CB PRO A 57 -4.473 -11.531 -32.075 1.00 0.00 C ATOM 1034 CG PRO A 57 -5.334 -12.565 -31.339 1.00 0.00 C ATOM 1035 CD PRO A 57 -5.679 -11.967 -29.993 1.00 0.00 C ATOM 0 HA PRO A 57 -3.913 -9.532 -31.355 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.713 -11.508 -33.138 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.414 -11.775 -31.993 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.238 -12.789 -31.906 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.793 -13.503 -31.218 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.744 -12.057 -29.780 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.148 -12.472 -29.186 1.00 0.00 H new ATOM 1043 N HIS A 58 -5.586 -9.309 -33.532 1.00 0.00 N ATOM 1044 CA HIS A 58 -6.546 -8.604 -34.432 1.00 0.00 C ATOM 1045 C HIS A 58 -6.549 -9.329 -35.803 1.00 0.00 C ATOM 1046 O HIS A 58 -5.754 -9.001 -36.662 1.00 0.00 O ATOM 1047 CB HIS A 58 -6.097 -7.149 -34.621 1.00 0.00 C ATOM 1048 CG HIS A 58 -7.301 -6.247 -34.647 1.00 0.00 C ATOM 1049 ND1 HIS A 58 -8.011 -5.992 -35.812 1.00 0.00 N ATOM 1050 CD2 HIS A 58 -7.934 -5.534 -33.660 1.00 0.00 C ATOM 1051 CE1 HIS A 58 -9.019 -5.157 -35.496 1.00 0.00 C ATOM 1052 NE2 HIS A 58 -9.018 -4.847 -34.197 1.00 0.00 N ATOM 0 H HIS A 58 -4.756 -9.674 -33.998 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.546 -8.613 -33.999 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -5.429 -6.856 -33.811 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -5.535 -7.049 -35.550 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.636 -5.510 -32.622 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.741 -4.783 -36.207 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.671 -4.238 -33.705 1.00 0.00 H new ATOM 1060 N PRO A 59 -7.428 -10.322 -35.967 1.00 0.00 N ATOM 1061 CA PRO A 59 -7.499 -11.100 -37.217 1.00 0.00 C ATOM 1062 C PRO A 59 -8.211 -10.323 -38.336 1.00 0.00 C ATOM 1063 O PRO A 59 -9.396 -10.067 -38.273 1.00 0.00 O ATOM 1064 CB PRO A 59 -8.302 -12.346 -36.828 1.00 0.00 C ATOM 1065 CG PRO A 59 -9.125 -11.961 -35.568 1.00 0.00 C ATOM 1066 CD PRO A 59 -8.412 -10.745 -34.940 1.00 0.00 C ATOM 0 HA PRO A 59 -6.510 -11.332 -37.611 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.959 -12.655 -37.641 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.639 -13.185 -36.618 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.152 -11.714 -35.835 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.170 -12.792 -34.864 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -9.117 -9.945 -34.712 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.920 -11.012 -34.005 1.00 0.00 H new ATOM 1074 N GLU A 60 -7.484 -9.969 -39.375 1.00 0.00 N ATOM 1075 CA GLU A 60 -8.091 -9.226 -40.536 1.00 0.00 C ATOM 1076 C GLU A 60 -8.927 -8.031 -40.048 1.00 0.00 C ATOM 1077 O GLU A 60 -8.871 -7.647 -38.894 1.00 0.00 O ATOM 1078 CB GLU A 60 -8.989 -10.189 -41.339 1.00 0.00 C ATOM 1079 CG GLU A 60 -8.345 -10.489 -42.699 1.00 0.00 C ATOM 1080 CD GLU A 60 -8.802 -9.447 -43.723 1.00 0.00 C ATOM 1081 OE1 GLU A 60 -9.920 -9.562 -44.199 1.00 0.00 O ATOM 1082 OE2 GLU A 60 -8.025 -8.552 -44.016 1.00 0.00 O ATOM 0 H GLU A 60 -6.487 -10.164 -39.470 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.287 -8.847 -41.167 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.133 -11.115 -40.783 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.975 -9.747 -41.483 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.259 -10.474 -42.610 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.624 -11.489 -43.033 1.00 0.00 H new ATOM 1089 N PHE A 61 -9.702 -7.450 -40.932 1.00 0.00 N ATOM 1090 CA PHE A 61 -10.550 -6.285 -40.549 1.00 0.00 C ATOM 1091 C PHE A 61 -11.821 -6.786 -39.861 1.00 0.00 C ATOM 1092 O PHE A 61 -12.834 -6.996 -40.496 1.00 0.00 O ATOM 1093 CB PHE A 61 -10.930 -5.499 -41.807 1.00 0.00 C ATOM 1094 CG PHE A 61 -11.038 -4.031 -41.474 1.00 0.00 C ATOM 1095 CD1 PHE A 61 -9.894 -3.224 -41.490 1.00 0.00 C ATOM 1096 CD2 PHE A 61 -12.282 -3.476 -41.150 1.00 0.00 C ATOM 1097 CE1 PHE A 61 -9.994 -1.863 -41.181 1.00 0.00 C ATOM 1098 CE2 PHE A 61 -12.382 -2.114 -40.841 1.00 0.00 C ATOM 1099 CZ PHE A 61 -11.237 -1.308 -40.856 1.00 0.00 C ATOM 0 H PHE A 61 -9.782 -7.737 -41.908 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.997 -5.639 -39.867 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -10.181 -5.652 -42.584 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.878 -5.863 -42.203 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.935 -3.652 -41.741 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -13.164 -4.099 -41.138 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -9.112 -1.240 -41.193 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -13.341 -1.685 -40.591 1.00 0.00 H new ATOM 0 HZ PHE A 61 -11.313 -0.258 -40.617 1.00 0.00 H new ATOM 1109 N ILE A 62 -11.767 -6.979 -38.567 1.00 0.00 N ATOM 1110 CA ILE A 62 -12.967 -7.467 -37.817 1.00 0.00 C ATOM 1111 C ILE A 62 -13.337 -8.885 -38.308 1.00 0.00 C ATOM 1112 O ILE A 62 -12.780 -9.385 -39.268 1.00 0.00 O ATOM 1113 CB ILE A 62 -14.146 -6.432 -37.990 1.00 0.00 C ATOM 1114 CG1 ILE A 62 -14.765 -6.152 -36.616 1.00 0.00 C ATOM 1115 CG2 ILE A 62 -15.264 -6.930 -38.945 1.00 0.00 C ATOM 1116 CD1 ILE A 62 -15.346 -4.737 -36.596 1.00 0.00 C ATOM 0 H ILE A 62 -10.939 -6.819 -37.994 1.00 0.00 H new ATOM 0 HA ILE A 62 -12.755 -7.541 -36.750 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.719 -5.532 -38.433 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -15.547 -6.881 -36.403 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -14.010 -6.257 -35.837 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -16.043 -6.172 -39.020 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -14.843 -7.116 -39.933 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -15.692 -7.853 -38.554 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -15.786 -4.538 -35.619 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.553 -4.015 -36.790 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -16.114 -4.648 -37.365 1.00 0.00 H new ATOM 1128 N VAL A 63 -14.273 -9.525 -37.647 1.00 0.00 N ATOM 1129 CA VAL A 63 -14.685 -10.899 -38.060 1.00 0.00 C ATOM 1130 C VAL A 63 -16.195 -11.057 -37.865 1.00 0.00 C ATOM 1131 O VAL A 63 -16.929 -11.302 -38.804 1.00 0.00 O ATOM 1132 CB VAL A 63 -13.950 -11.932 -37.203 1.00 0.00 C ATOM 1133 CG1 VAL A 63 -14.248 -13.336 -37.729 1.00 0.00 C ATOM 1134 CG2 VAL A 63 -12.443 -11.673 -37.272 1.00 0.00 C ATOM 0 H VAL A 63 -14.769 -9.151 -36.838 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.434 -11.054 -39.109 1.00 0.00 H new ATOM 0 HB VAL A 63 -14.287 -11.851 -36.169 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -13.725 -14.072 -37.119 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -15.321 -13.522 -37.681 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.911 -13.416 -38.763 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.919 -12.409 -36.662 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.107 -11.754 -38.306 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.228 -10.672 -36.898 1.00 0.00 H new ATOM 1144 N THR A 64 -16.662 -10.916 -36.647 1.00 0.00 N ATOM 1145 CA THR A 64 -18.125 -11.056 -36.378 1.00 0.00 C ATOM 1146 C THR A 64 -18.844 -9.771 -36.796 1.00 0.00 C ATOM 1147 O THR A 64 -18.499 -8.687 -36.360 1.00 0.00 O ATOM 1148 CB THR A 64 -18.349 -11.302 -34.883 1.00 0.00 C ATOM 1149 OG1 THR A 64 -17.222 -11.977 -34.342 1.00 0.00 O ATOM 1150 CG2 THR A 64 -19.601 -12.158 -34.686 1.00 0.00 C ATOM 0 H THR A 64 -16.091 -10.710 -35.828 1.00 0.00 H new ATOM 0 HA THR A 64 -18.520 -11.897 -36.947 1.00 0.00 H new ATOM 0 HB THR A 64 -18.481 -10.347 -34.374 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.363 -12.134 -33.385 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.759 -12.332 -33.622 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.465 -11.639 -35.101 1.00 0.00 H new ATOM 0 HG23 THR A 64 -19.472 -13.113 -35.195 1.00 0.00 H new ATOM 1158 N ASP A 65 -19.842 -9.887 -37.638 1.00 0.00 N ATOM 1159 CA ASP A 65 -20.590 -8.677 -38.090 1.00 0.00 C ATOM 1160 C ASP A 65 -22.028 -9.065 -38.437 1.00 0.00 C ATOM 1161 O ASP A 65 -22.235 -10.199 -38.835 1.00 0.00 O ATOM 1162 CB ASP A 65 -19.907 -8.089 -39.328 1.00 0.00 C ATOM 1163 CG ASP A 65 -20.410 -6.664 -39.561 1.00 0.00 C ATOM 1164 OD1 ASP A 65 -20.085 -5.803 -38.761 1.00 0.00 O ATOM 1165 OD2 ASP A 65 -21.113 -6.459 -40.537 1.00 0.00 O ATOM 1166 OXT ASP A 65 -22.899 -8.222 -38.298 1.00 0.00 O ATOM 0 H ASP A 65 -20.170 -10.769 -38.031 1.00 0.00 H new ATOM 0 HA ASP A 65 -20.597 -7.935 -37.291 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -18.825 -8.086 -39.193 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -20.118 -8.707 -40.201 1.00 0.00 H new TER 1171 ASP A 65 ATOM 1172 N SER B 1 -17.044 -10.510 -3.742 1.00 0.00 N ATOM 1173 CA SER B 1 -15.800 -10.324 -2.945 1.00 0.00 C ATOM 1174 C SER B 1 -14.567 -10.583 -3.842 1.00 0.00 C ATOM 1175 O SER B 1 -14.011 -11.665 -3.813 1.00 0.00 O ATOM 1176 CB SER B 1 -15.796 -11.308 -1.773 1.00 0.00 C ATOM 1177 OG SER B 1 -16.719 -10.866 -0.785 1.00 0.00 O ATOM 0 H1 SER B 1 -17.796 -9.903 -3.358 1.00 0.00 H new ATOM 0 H2 SER B 1 -16.863 -10.252 -4.733 1.00 0.00 H new ATOM 0 H3 SER B 1 -17.343 -11.505 -3.692 1.00 0.00 H new ATOM 0 HA SER B 1 -15.761 -9.304 -2.564 1.00 0.00 H new ATOM 0 HB2 SER B 1 -16.067 -12.305 -2.120 1.00 0.00 H new ATOM 0 HB3 SER B 1 -14.795 -11.379 -1.346 1.00 0.00 H new ATOM 0 HG SER B 1 -16.720 -11.495 -0.034 1.00 0.00 H new ATOM 1185 N PRO B 2 -14.167 -9.580 -4.624 1.00 0.00 N ATOM 1186 CA PRO B 2 -13.009 -9.714 -5.514 1.00 0.00 C ATOM 1187 C PRO B 2 -11.702 -9.595 -4.708 1.00 0.00 C ATOM 1188 O PRO B 2 -11.110 -10.590 -4.336 1.00 0.00 O ATOM 1189 CB PRO B 2 -13.169 -8.553 -6.506 1.00 0.00 C ATOM 1190 CG PRO B 2 -14.067 -7.499 -5.798 1.00 0.00 C ATOM 1191 CD PRO B 2 -14.825 -8.251 -4.683 1.00 0.00 C ATOM 0 HA PRO B 2 -12.962 -10.679 -6.019 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -12.200 -8.127 -6.766 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -13.627 -8.894 -7.434 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -13.464 -6.692 -5.382 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -14.763 -7.045 -6.503 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -14.751 -7.728 -3.729 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -15.886 -8.342 -4.915 1.00 0.00 H new ATOM 1199 N LEU B 3 -11.251 -8.386 -4.430 1.00 0.00 N ATOM 1200 CA LEU B 3 -9.987 -8.207 -3.644 1.00 0.00 C ATOM 1201 C LEU B 3 -8.817 -8.866 -4.384 1.00 0.00 C ATOM 1202 O LEU B 3 -8.696 -10.078 -4.418 1.00 0.00 O ATOM 1203 CB LEU B 3 -10.146 -8.855 -2.263 1.00 0.00 C ATOM 1204 CG LEU B 3 -9.106 -8.267 -1.288 1.00 0.00 C ATOM 1205 CD1 LEU B 3 -9.808 -7.397 -0.243 1.00 0.00 C ATOM 1206 CD2 LEU B 3 -8.361 -9.407 -0.581 1.00 0.00 C ATOM 0 H LEU B 3 -11.707 -7.519 -4.715 1.00 0.00 H new ATOM 0 HA LEU B 3 -9.786 -7.142 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -11.153 -8.682 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -10.016 -9.934 -2.340 1.00 0.00 H new ATOM 0 HG LEU B 3 -8.396 -7.658 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -9.068 -6.984 0.443 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -10.335 -6.583 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -10.522 -8.003 0.315 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -7.626 -8.990 0.108 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -9.073 -10.018 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -7.854 -10.025 -1.322 1.00 0.00 H new ATOM 1218 N LEU B 4 -7.948 -8.077 -4.974 1.00 0.00 N ATOM 1219 CA LEU B 4 -6.784 -8.659 -5.709 1.00 0.00 C ATOM 1220 C LEU B 4 -5.474 -7.935 -5.281 1.00 0.00 C ATOM 1221 O LEU B 4 -4.815 -7.328 -6.101 1.00 0.00 O ATOM 1222 CB LEU B 4 -7.004 -8.487 -7.225 1.00 0.00 C ATOM 1223 CG LEU B 4 -7.524 -9.797 -7.828 1.00 0.00 C ATOM 1224 CD1 LEU B 4 -9.040 -9.887 -7.631 1.00 0.00 C ATOM 1225 CD2 LEU B 4 -7.202 -9.832 -9.330 1.00 0.00 C ATOM 0 H LEU B 4 -7.997 -7.058 -4.977 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.696 -9.719 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -7.717 -7.683 -7.409 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -6.069 -8.200 -7.707 1.00 0.00 H new ATOM 0 HG LEU B 4 -7.043 -10.640 -7.331 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -9.408 -10.819 -8.060 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -9.271 -9.862 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -9.522 -9.044 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.571 -10.763 -9.760 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -7.683 -8.988 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -6.123 -9.770 -9.472 1.00 0.00 H new ATOM 1237 N PRO B 5 -5.121 -8.025 -3.997 1.00 0.00 N ATOM 1238 CA PRO B 5 -3.900 -7.388 -3.490 1.00 0.00 C ATOM 1239 C PRO B 5 -2.671 -8.220 -3.872 1.00 0.00 C ATOM 1240 O PRO B 5 -2.337 -9.188 -3.212 1.00 0.00 O ATOM 1241 CB PRO B 5 -4.095 -7.370 -1.970 1.00 0.00 C ATOM 1242 CG PRO B 5 -5.128 -8.485 -1.651 1.00 0.00 C ATOM 1243 CD PRO B 5 -5.895 -8.754 -2.964 1.00 0.00 C ATOM 0 HA PRO B 5 -3.738 -6.391 -3.900 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -3.152 -7.554 -1.455 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -4.456 -6.398 -1.636 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -4.629 -9.388 -1.300 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -5.809 -8.169 -0.861 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -5.945 -9.820 -3.184 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -6.921 -8.391 -2.906 1.00 0.00 H new ATOM 1251 N LYS B 6 -1.999 -7.852 -4.938 1.00 0.00 N ATOM 1252 CA LYS B 6 -0.794 -8.620 -5.370 1.00 0.00 C ATOM 1253 C LYS B 6 0.345 -7.655 -5.711 1.00 0.00 C ATOM 1254 O LYS B 6 1.341 -7.607 -5.024 1.00 0.00 O ATOM 1255 CB LYS B 6 -1.139 -9.462 -6.600 1.00 0.00 C ATOM 1256 CG LYS B 6 -0.005 -10.449 -6.878 1.00 0.00 C ATOM 1257 CD LYS B 6 -0.026 -10.842 -8.357 1.00 0.00 C ATOM 1258 CE LYS B 6 0.714 -9.785 -9.183 1.00 0.00 C ATOM 1259 NZ LYS B 6 2.078 -10.284 -9.521 1.00 0.00 N ATOM 0 H LYS B 6 -2.235 -7.052 -5.526 1.00 0.00 H new ATOM 0 HA LYS B 6 -0.476 -9.274 -4.558 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -2.072 -10.001 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -1.293 -8.816 -7.464 1.00 0.00 H new ATOM 0 HG2 LYS B 6 0.955 -9.999 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -0.117 -11.335 -6.253 1.00 0.00 H new ATOM 0 HD2 LYS B 6 0.444 -11.816 -8.491 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -1.055 -10.934 -8.704 1.00 0.00 H new ATOM 0 HE2 LYS B 6 0.159 -9.566 -10.095 1.00 0.00 H new ATOM 0 HE3 LYS B 6 0.785 -8.853 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 2.581 -9.567 -10.082 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 2.606 -10.471 -8.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 2.000 -11.162 -10.072 1.00 0.00 H new ATOM 1273 N LEU B 7 0.200 -6.883 -6.774 1.00 0.00 N ATOM 1274 CA LEU B 7 1.280 -5.905 -7.182 1.00 0.00 C ATOM 1275 C LEU B 7 1.754 -5.077 -5.949 1.00 0.00 C ATOM 1276 O LEU B 7 1.048 -4.191 -5.517 1.00 0.00 O ATOM 1277 CB LEU B 7 0.710 -4.955 -8.241 1.00 0.00 C ATOM 1278 CG LEU B 7 0.507 -5.723 -9.552 1.00 0.00 C ATOM 1279 CD1 LEU B 7 -0.495 -4.976 -10.447 1.00 0.00 C ATOM 1280 CD2 LEU B 7 1.850 -5.847 -10.279 1.00 0.00 C ATOM 0 H LEU B 7 -0.621 -6.887 -7.379 1.00 0.00 H new ATOM 0 HA LEU B 7 2.131 -6.454 -7.584 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.237 -4.538 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.389 -4.117 -8.398 1.00 0.00 H new ATOM 0 HG LEU B 7 0.116 -6.716 -9.331 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.634 -5.528 -11.377 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.451 -4.890 -9.930 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.112 -3.980 -10.670 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.710 -6.393 -11.212 1.00 0.00 H new ATOM 0 HD22 LEU B 7 2.240 -4.852 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU B 7 2.557 -6.384 -9.647 1.00 0.00 H new ATOM 1292 N PRO B 8 2.931 -5.409 -5.395 1.00 0.00 N ATOM 1293 CA PRO B 8 3.457 -4.710 -4.211 1.00 0.00 C ATOM 1294 C PRO B 8 4.229 -3.421 -4.610 1.00 0.00 C ATOM 1295 O PRO B 8 5.288 -3.515 -5.196 1.00 0.00 O ATOM 1296 CB PRO B 8 4.433 -5.723 -3.603 1.00 0.00 C ATOM 1297 CG PRO B 8 4.856 -6.675 -4.761 1.00 0.00 C ATOM 1298 CD PRO B 8 3.819 -6.491 -5.887 1.00 0.00 C ATOM 0 HA PRO B 8 2.664 -4.397 -3.532 1.00 0.00 H new ATOM 0 HB2 PRO B 8 5.301 -5.219 -3.178 1.00 0.00 H new ATOM 0 HB3 PRO B 8 3.960 -6.281 -2.795 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.858 -6.433 -5.115 1.00 0.00 H new ATOM 0 HG3 PRO B 8 4.879 -7.711 -4.422 1.00 0.00 H new ATOM 0 HD2 PRO B 8 4.297 -6.216 -6.827 1.00 0.00 H new ATOM 0 HD3 PRO B 8 3.262 -7.410 -6.069 1.00 0.00 H new ATOM 1306 N PRO B 9 3.695 -2.244 -4.265 1.00 0.00 N ATOM 1307 CA PRO B 9 4.367 -0.975 -4.577 1.00 0.00 C ATOM 1308 C PRO B 9 5.450 -0.697 -3.526 1.00 0.00 C ATOM 1309 O PRO B 9 5.209 -0.822 -2.338 1.00 0.00 O ATOM 1310 CB PRO B 9 3.249 0.066 -4.481 1.00 0.00 C ATOM 1311 CG PRO B 9 2.154 -0.554 -3.568 1.00 0.00 C ATOM 1312 CD PRO B 9 2.403 -2.078 -3.558 1.00 0.00 C ATOM 0 HA PRO B 9 4.856 -0.973 -5.551 1.00 0.00 H new ATOM 0 HB2 PRO B 9 3.622 1.000 -4.061 1.00 0.00 H new ATOM 0 HB3 PRO B 9 2.848 0.298 -5.468 1.00 0.00 H new ATOM 0 HG2 PRO B 9 2.212 -0.145 -2.559 1.00 0.00 H new ATOM 0 HG3 PRO B 9 1.158 -0.326 -3.947 1.00 0.00 H new ATOM 0 HD2 PRO B 9 2.454 -2.466 -2.541 1.00 0.00 H new ATOM 0 HD3 PRO B 9 1.601 -2.615 -4.064 1.00 0.00 H new ATOM 1320 N LYS B 10 6.638 -0.322 -3.946 1.00 0.00 N ATOM 1321 CA LYS B 10 7.725 -0.042 -2.952 1.00 0.00 C ATOM 1322 C LYS B 10 8.982 0.466 -3.664 1.00 0.00 C ATOM 1323 O LYS B 10 9.038 0.543 -4.877 1.00 0.00 O ATOM 1324 CB LYS B 10 8.060 -1.329 -2.196 1.00 0.00 C ATOM 1325 CG LYS B 10 8.396 -2.435 -3.198 1.00 0.00 C ATOM 1326 CD LYS B 10 8.820 -3.698 -2.444 1.00 0.00 C ATOM 1327 CE LYS B 10 10.247 -3.527 -1.923 1.00 0.00 C ATOM 1328 NZ LYS B 10 10.424 -4.334 -0.683 1.00 0.00 N ATOM 0 H LYS B 10 6.899 -0.199 -4.924 1.00 0.00 H new ATOM 0 HA LYS B 10 7.379 0.723 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS B 10 8.904 -1.161 -1.527 1.00 0.00 H new ATOM 0 HB3 LYS B 10 7.216 -1.630 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS B 10 7.530 -2.647 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS B 10 9.197 -2.108 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS B 10 8.139 -3.885 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS B 10 8.764 -4.564 -3.104 1.00 0.00 H new ATOM 0 HE2 LYS B 10 10.963 -3.844 -2.681 1.00 0.00 H new ATOM 0 HE3 LYS B 10 10.447 -2.475 -1.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 11.395 -4.218 -0.329 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 9.750 -4.011 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 10.251 -5.337 -0.894 1.00 0.00 H new ATOM 1342 N THR B 11 9.996 0.808 -2.904 1.00 0.00 N ATOM 1343 CA THR B 11 11.268 1.310 -3.505 1.00 0.00 C ATOM 1344 C THR B 11 12.408 1.099 -2.503 1.00 0.00 C ATOM 1345 O THR B 11 12.177 0.957 -1.315 1.00 0.00 O ATOM 1346 CB THR B 11 11.133 2.804 -3.819 1.00 0.00 C ATOM 1347 OG1 THR B 11 10.525 3.464 -2.717 1.00 0.00 O ATOM 1348 CG2 THR B 11 10.271 2.990 -5.067 1.00 0.00 C ATOM 0 H THR B 11 9.994 0.759 -1.885 1.00 0.00 H new ATOM 0 HA THR B 11 11.480 0.768 -4.426 1.00 0.00 H new ATOM 0 HB THR B 11 12.121 3.229 -3.998 1.00 0.00 H new ATOM 0 HG1 THR B 11 10.439 4.420 -2.915 1.00 0.00 H new ATOM 0 HG21 THR B 11 10.176 4.053 -5.289 1.00 0.00 H new ATOM 0 HG22 THR B 11 10.739 2.484 -5.911 1.00 0.00 H new ATOM 0 HG23 THR B 11 9.282 2.566 -4.893 1.00 0.00 H new ATOM 1356 N TYR B 12 13.637 1.074 -2.969 1.00 0.00 N ATOM 1357 CA TYR B 12 14.788 0.866 -2.035 1.00 0.00 C ATOM 1358 C TYR B 12 16.065 1.463 -2.633 1.00 0.00 C ATOM 1359 O TYR B 12 16.352 1.292 -3.804 1.00 0.00 O ATOM 1360 CB TYR B 12 14.991 -0.633 -1.804 1.00 0.00 C ATOM 1361 CG TYR B 12 15.960 -0.843 -0.665 1.00 0.00 C ATOM 1362 CD1 TYR B 12 15.607 -0.460 0.634 1.00 0.00 C ATOM 1363 CD2 TYR B 12 17.212 -1.420 -0.909 1.00 0.00 C ATOM 1364 CE1 TYR B 12 16.507 -0.655 1.691 1.00 0.00 C ATOM 1365 CE2 TYR B 12 18.112 -1.615 0.147 1.00 0.00 C ATOM 1366 CZ TYR B 12 17.759 -1.232 1.446 1.00 0.00 C ATOM 1367 OH TYR B 12 18.646 -1.423 2.488 1.00 0.00 O ATOM 0 H TYR B 12 13.890 1.188 -3.951 1.00 0.00 H new ATOM 0 HA TYR B 12 14.571 1.360 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR B 12 14.037 -1.109 -1.576 1.00 0.00 H new ATOM 0 HB3 TYR B 12 15.372 -1.103 -2.711 1.00 0.00 H new ATOM 0 HD1 TYR B 12 14.641 -0.014 0.822 1.00 0.00 H new ATOM 0 HD2 TYR B 12 17.484 -1.715 -1.912 1.00 0.00 H new ATOM 0 HE1 TYR B 12 16.235 -0.360 2.694 1.00 0.00 H new ATOM 0 HE2 TYR B 12 19.078 -2.061 -0.041 1.00 0.00 H new ATOM 0 HH TYR B 12 19.467 -1.835 2.147 1.00 0.00 H new ATOM 1377 N LYS B 13 16.839 2.154 -1.829 1.00 0.00 N ATOM 1378 CA LYS B 13 18.109 2.759 -2.333 1.00 0.00 C ATOM 1379 C LYS B 13 18.841 3.442 -1.175 1.00 0.00 C ATOM 1380 O LYS B 13 18.619 4.603 -0.885 1.00 0.00 O ATOM 1381 CB LYS B 13 17.799 3.790 -3.422 1.00 0.00 C ATOM 1382 CG LYS B 13 19.049 4.012 -4.278 1.00 0.00 C ATOM 1383 CD LYS B 13 19.311 2.770 -5.143 1.00 0.00 C ATOM 1384 CE LYS B 13 20.813 2.469 -5.174 1.00 0.00 C ATOM 1385 NZ LYS B 13 21.164 1.575 -4.034 1.00 0.00 N ATOM 0 H LYS B 13 16.643 2.324 -0.843 1.00 0.00 H new ATOM 0 HA LYS B 13 18.739 1.975 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS B 13 16.975 3.442 -4.045 1.00 0.00 H new ATOM 0 HB3 LYS B 13 17.482 4.730 -2.970 1.00 0.00 H new ATOM 0 HG2 LYS B 13 18.916 4.888 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS B 13 19.909 4.210 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS B 13 18.767 1.915 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS B 13 18.943 2.936 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS B 13 21.080 1.994 -6.118 1.00 0.00 H new ATOM 0 HE3 LYS B 13 21.382 3.397 -5.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 22.183 1.370 -4.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 20.923 2.044 -3.138 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 20.631 0.686 -4.113 1.00 0.00 H new ATOM 1399 N ARG B 14 19.716 2.724 -0.514 1.00 0.00 N ATOM 1400 CA ARG B 14 20.473 3.316 0.630 1.00 0.00 C ATOM 1401 C ARG B 14 21.770 2.530 0.836 1.00 0.00 C ATOM 1402 O ARG B 14 21.913 1.419 0.357 1.00 0.00 O ATOM 1403 CB ARG B 14 19.620 3.241 1.899 1.00 0.00 C ATOM 1404 CG ARG B 14 20.301 4.026 3.022 1.00 0.00 C ATOM 1405 CD ARG B 14 19.237 4.571 3.979 1.00 0.00 C ATOM 1406 NE ARG B 14 19.847 5.602 4.867 1.00 0.00 N ATOM 1407 CZ ARG B 14 20.087 5.327 6.120 1.00 0.00 C ATOM 1408 NH1 ARG B 14 20.907 4.360 6.429 1.00 0.00 N ATOM 1409 NH2 ARG B 14 19.506 6.017 7.064 1.00 0.00 N ATOM 0 H ARG B 14 19.938 1.750 -0.719 1.00 0.00 H new ATOM 0 HA ARG B 14 20.708 4.358 0.415 1.00 0.00 H new ATOM 0 HB2 ARG B 14 18.627 3.648 1.707 1.00 0.00 H new ATOM 0 HB3 ARG B 14 19.485 2.201 2.198 1.00 0.00 H new ATOM 0 HG2 ARG B 14 20.996 3.382 3.561 1.00 0.00 H new ATOM 0 HG3 ARG B 14 20.885 4.846 2.605 1.00 0.00 H new ATOM 0 HD2 ARG B 14 18.412 5.005 3.414 1.00 0.00 H new ATOM 0 HD3 ARG B 14 18.822 3.760 4.577 1.00 0.00 H new ATOM 0 HE ARG B 14 20.077 6.523 4.495 1.00 0.00 H new ATOM 0 HH11 ARG B 14 21.360 3.820 5.692 1.00 0.00 H new ATOM 0 HH12 ARG B 14 21.095 4.144 7.408 1.00 0.00 H new ATOM 0 HH21 ARG B 14 18.864 6.772 6.822 1.00 0.00 H new ATOM 0 HH22 ARG B 14 19.694 5.801 8.043 1.00 0.00 H new ATOM 1423 N GLU B 15 22.715 3.098 1.545 1.00 0.00 N ATOM 1424 CA GLU B 15 24.008 2.389 1.783 1.00 0.00 C ATOM 1425 C GLU B 15 23.999 1.763 3.180 1.00 0.00 C ATOM 1426 O GLU B 15 23.012 1.930 3.876 1.00 0.00 O ATOM 1427 CB GLU B 15 25.164 3.386 1.678 1.00 0.00 C ATOM 1428 CG GLU B 15 25.530 3.593 0.206 1.00 0.00 C ATOM 1429 CD GLU B 15 26.237 2.344 -0.325 1.00 0.00 C ATOM 1430 OE1 GLU B 15 27.421 2.204 -0.067 1.00 0.00 O ATOM 1431 OE2 GLU B 15 25.582 1.549 -0.979 1.00 0.00 O ATOM 1432 OXT GLU B 15 24.981 1.127 3.528 1.00 0.00 O ATOM 0 H GLU B 15 22.645 4.023 1.969 1.00 0.00 H new ATOM 0 HA GLU B 15 24.135 1.606 1.036 1.00 0.00 H new ATOM 0 HB2 GLU B 15 24.880 4.336 2.130 1.00 0.00 H new ATOM 0 HB3 GLU B 15 26.028 3.016 2.230 1.00 0.00 H new ATOM 0 HG2 GLU B 15 24.632 3.792 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU B 15 26.178 4.463 0.100 1.00 0.00 H new TER 1439 GLU B 15