USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 815 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 85 ASN : amide:sc= -0.462 K(o=0.11,f=-1.2!) USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0.569 USER MOD Set 2.1: A 32 SER OG : rot 180:sc= -0.265 USER MOD Set 2.2: A 78 ASN : amide:sc= -0.69 K(o=-0.96,f=-3!) USER MOD Set 3.1: A 23 CYS SG : rot -40:sc= -4.17! USER MOD Set 3.2: A 97 CYS SG : rot -41:sc= -4.44! USER MOD Set 4.1: A 8 SER OG : rot 42:sc= 0.791 USER MOD Set 4.2: A 22 SER OG : rot 180:sc= 0.728 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.8) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0206 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 176:sc= -2.73! (180deg=-2.82!) USER MOD Single : A 40 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.44) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0.142 (180deg=0.0971) USER MOD Single : A 58 SER OG : rot -149:sc= 0.785 USER MOD Single : A 59 THR OG1 : rot 43:sc= 0.0932 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.761 K(o=0.76,f=-2.6!) USER MOD Single : A 77 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0612) USER MOD Single : A 79 THR OG1 : rot 55:sc= 0.227 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.302 K(o=0.3,f=-2.8!) USER MOD Single : A 84 MET CE :methyl -139:sc= -0.301 (180deg=-3.25!) USER MOD Single : A 88 LYS NZ :NH3+ 144:sc= -0.357 (180deg=-2.1!) USER MOD Single : A 92 THR OG1 : rot 89:sc= 0.139 USER MOD Single : A 95 TYR OH : rot -160:sc= 0.818 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -1.45 K(o=-1.4,f=-3.1!) USER MOD Single : A 117 THR OG1 : rot 120:sc= 0.246 USER MOD Single : A 118 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.033) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 48:sc= 0.111 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.329 4.261 -5.060 1.00 0.00 N ATOM 38 CA LEU A 3 1.067 4.346 -6.329 1.00 0.00 C ATOM 39 C LEU A 3 1.521 5.814 -6.495 1.00 0.00 C ATOM 40 O LEU A 3 0.691 6.714 -6.672 1.00 0.00 O ATOM 41 CB LEU A 3 0.170 3.860 -7.526 1.00 0.00 C ATOM 42 CG LEU A 3 0.896 3.316 -8.811 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.749 4.387 -9.514 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.727 2.055 -8.488 1.00 0.00 C ATOM 0 HA LEU A 3 1.939 3.693 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.488 3.074 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.466 4.692 -7.827 1.00 0.00 H new ATOM 0 HG LEU A 3 0.114 3.037 -9.517 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.225 3.953 -10.393 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.112 5.217 -9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.515 4.750 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.218 1.701 -9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.480 2.298 -7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.070 1.275 -8.103 1.00 0.00 H new ATOM 56 N GLN A 4 2.842 6.037 -6.406 1.00 0.00 N ATOM 57 CA GLN A 4 3.443 7.381 -6.439 1.00 0.00 C ATOM 58 C GLN A 4 4.043 7.644 -7.825 1.00 0.00 C ATOM 59 O GLN A 4 4.779 6.804 -8.352 1.00 0.00 O ATOM 60 CB GLN A 4 4.543 7.508 -5.341 1.00 0.00 C ATOM 61 CG GLN A 4 4.090 7.074 -3.934 1.00 0.00 C ATOM 62 CD GLN A 4 5.169 7.258 -2.864 1.00 0.00 C ATOM 63 OE1 GLN A 4 6.000 6.378 -2.653 1.00 0.00 O ATOM 64 NE2 GLN A 4 5.149 8.392 -2.172 1.00 0.00 N ATOM 0 H GLN A 4 3.527 5.287 -6.309 1.00 0.00 H new ATOM 0 HA GLN A 4 2.669 8.122 -6.239 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.403 6.906 -5.634 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.879 8.544 -5.298 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.207 7.648 -3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.793 6.026 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.444 9.101 -2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 4 5.839 8.554 -1.438 1.00 0.00 H new ATOM 73 N LEU A 5 3.695 8.799 -8.419 1.00 0.00 N ATOM 74 CA LEU A 5 4.263 9.271 -9.695 1.00 0.00 C ATOM 75 C LEU A 5 4.839 10.679 -9.473 1.00 0.00 C ATOM 76 O LEU A 5 4.085 11.647 -9.303 1.00 0.00 O ATOM 77 CB LEU A 5 3.172 9.269 -10.811 1.00 0.00 C ATOM 78 CG LEU A 5 2.550 7.873 -11.152 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.368 8.004 -12.134 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.624 6.890 -11.686 1.00 0.00 C ATOM 0 H LEU A 5 3.005 9.437 -8.023 1.00 0.00 H new ATOM 0 HA LEU A 5 5.059 8.604 -10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.368 9.940 -10.508 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.608 9.684 -11.720 1.00 0.00 H new ATOM 0 HG LEU A 5 2.157 7.457 -10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.961 7.016 -12.348 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.592 8.627 -11.689 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.714 8.462 -13.061 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.159 5.931 -11.913 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.073 7.299 -12.591 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.396 6.749 -10.930 1.00 0.00 H new ATOM 92 N VAL A 6 6.184 10.778 -9.455 1.00 0.00 N ATOM 93 CA VAL A 6 6.902 12.040 -9.206 1.00 0.00 C ATOM 94 C VAL A 6 7.332 12.625 -10.558 1.00 0.00 C ATOM 95 O VAL A 6 8.316 12.188 -11.165 1.00 0.00 O ATOM 96 CB VAL A 6 8.149 11.822 -8.261 1.00 0.00 C ATOM 97 CG1 VAL A 6 8.926 13.143 -8.020 1.00 0.00 C ATOM 98 CG2 VAL A 6 7.711 11.182 -6.920 1.00 0.00 C ATOM 0 H VAL A 6 6.802 9.982 -9.613 1.00 0.00 H new ATOM 0 HA VAL A 6 6.240 12.737 -8.692 1.00 0.00 H new ATOM 0 HB VAL A 6 8.830 11.135 -8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.776 12.951 -7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.283 13.534 -8.973 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.266 13.873 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.584 11.040 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.999 11.838 -6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.242 10.217 -7.113 1.00 0.00 H new ATOM 108 N GLU A 7 6.574 13.623 -11.006 1.00 0.00 N ATOM 109 CA GLU A 7 6.702 14.214 -12.340 1.00 0.00 C ATOM 110 C GLU A 7 7.477 15.539 -12.286 1.00 0.00 C ATOM 111 O GLU A 7 7.351 16.313 -11.329 1.00 0.00 O ATOM 112 CB GLU A 7 5.297 14.412 -12.952 1.00 0.00 C ATOM 113 CG GLU A 7 4.479 13.110 -13.083 1.00 0.00 C ATOM 114 CD GLU A 7 3.042 13.348 -13.561 1.00 0.00 C ATOM 115 OE1 GLU A 7 2.084 12.911 -12.874 1.00 0.00 O ATOM 116 OE2 GLU A 7 2.865 13.979 -14.630 1.00 0.00 O ATOM 0 H GLU A 7 5.840 14.053 -10.444 1.00 0.00 H new ATOM 0 HA GLU A 7 7.271 13.535 -12.976 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.740 15.118 -12.336 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.402 14.863 -13.939 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.982 12.441 -13.781 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.455 12.604 -12.118 1.00 0.00 H new ATOM 123 N SER A 8 8.278 15.776 -13.335 1.00 0.00 N ATOM 124 CA SER A 8 9.111 16.977 -13.480 1.00 0.00 C ATOM 125 C SER A 8 9.503 17.162 -14.949 1.00 0.00 C ATOM 126 O SER A 8 9.492 16.203 -15.738 1.00 0.00 O ATOM 127 CB SER A 8 10.368 16.877 -12.581 1.00 0.00 C ATOM 128 OG SER A 8 11.035 15.638 -12.756 1.00 0.00 O ATOM 0 H SER A 8 8.366 15.128 -14.118 1.00 0.00 H new ATOM 0 HA SER A 8 8.539 17.848 -13.160 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.050 17.695 -12.815 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.079 16.992 -11.536 1.00 0.00 H new ATOM 0 HG SER A 8 11.054 15.409 -13.709 1.00 0.00 H new ATOM 134 N GLY A 9 9.846 18.406 -15.299 1.00 0.00 N ATOM 135 CA GLY A 9 10.209 18.782 -16.661 1.00 0.00 C ATOM 136 C GLY A 9 9.447 20.022 -17.099 1.00 0.00 C ATOM 137 O GLY A 9 9.977 20.841 -17.843 1.00 0.00 O ATOM 0 H GLY A 9 9.878 19.182 -14.638 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.281 18.969 -16.718 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.993 17.958 -17.341 1.00 0.00 H new ATOM 141 N GLY A 10 8.209 20.161 -16.586 1.00 0.00 N ATOM 142 CA GLY A 10 7.305 21.251 -16.960 1.00 0.00 C ATOM 143 C GLY A 10 7.858 22.652 -16.679 1.00 0.00 C ATOM 144 O GLY A 10 8.298 22.947 -15.558 1.00 0.00 O ATOM 0 H GLY A 10 7.813 19.517 -15.901 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.076 21.170 -18.023 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.365 21.129 -16.422 1.00 0.00 H new ATOM 148 N GLY A 11 7.827 23.500 -17.717 1.00 0.00 N ATOM 149 CA GLY A 11 8.294 24.881 -17.641 1.00 0.00 C ATOM 150 C GLY A 11 8.051 25.623 -18.944 1.00 0.00 C ATOM 151 O GLY A 11 7.489 25.054 -19.897 1.00 0.00 O ATOM 0 H GLY A 11 7.473 23.239 -18.638 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.782 25.395 -16.827 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.358 24.894 -17.407 1.00 0.00 H new ATOM 155 N LEU A 12 8.474 26.894 -18.991 1.00 0.00 N ATOM 156 CA LEU A 12 8.304 27.747 -20.174 1.00 0.00 C ATOM 157 C LEU A 12 9.504 27.570 -21.121 1.00 0.00 C ATOM 158 O LEU A 12 10.623 27.979 -20.798 1.00 0.00 O ATOM 159 CB LEU A 12 8.149 29.226 -19.762 1.00 0.00 C ATOM 160 CG LEU A 12 7.731 30.215 -20.894 1.00 0.00 C ATOM 161 CD1 LEU A 12 6.269 30.016 -21.323 1.00 0.00 C ATOM 162 CD2 LEU A 12 7.988 31.674 -20.487 1.00 0.00 C ATOM 0 H LEU A 12 8.942 27.358 -18.212 1.00 0.00 H new ATOM 0 HA LEU A 12 7.396 27.447 -20.696 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.408 29.284 -18.965 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.096 29.566 -19.342 1.00 0.00 H new ATOM 0 HG LEU A 12 8.357 29.989 -21.757 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.022 30.725 -22.113 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.133 29.000 -21.693 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.613 30.182 -20.468 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.686 32.337 -21.298 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.411 31.909 -19.592 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.049 31.813 -20.281 1.00 0.00 H new ATOM 174 N VAL A 13 9.260 26.925 -22.267 1.00 0.00 N ATOM 175 CA VAL A 13 10.277 26.684 -23.317 1.00 0.00 C ATOM 176 C VAL A 13 9.749 27.200 -24.667 1.00 0.00 C ATOM 177 O VAL A 13 8.547 27.221 -24.866 1.00 0.00 O ATOM 178 CB VAL A 13 10.641 25.145 -23.416 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.395 24.662 -22.149 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.376 24.284 -23.656 1.00 0.00 C ATOM 0 H VAL A 13 8.342 26.548 -22.502 1.00 0.00 H new ATOM 0 HA VAL A 13 11.187 27.223 -23.054 1.00 0.00 H new ATOM 0 HB VAL A 13 11.304 25.022 -24.273 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.631 23.602 -22.248 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.318 25.230 -22.036 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.766 24.814 -21.272 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.658 23.233 -23.719 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.679 24.423 -22.830 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.900 24.589 -24.588 1.00 0.00 H new ATOM 190 N GLN A 14 10.639 27.626 -25.583 1.00 0.00 N ATOM 191 CA GLN A 14 10.209 28.182 -26.890 1.00 0.00 C ATOM 192 C GLN A 14 9.743 27.061 -27.851 1.00 0.00 C ATOM 193 O GLN A 14 10.200 25.906 -27.760 1.00 0.00 O ATOM 194 CB GLN A 14 11.316 29.058 -27.569 1.00 0.00 C ATOM 195 CG GLN A 14 12.529 28.295 -28.157 1.00 0.00 C ATOM 196 CD GLN A 14 13.481 27.709 -27.114 1.00 0.00 C ATOM 197 OE1 GLN A 14 13.646 28.261 -26.021 1.00 0.00 O ATOM 198 NE2 GLN A 14 14.109 26.587 -27.442 1.00 0.00 N ATOM 0 H GLN A 14 11.650 27.599 -25.450 1.00 0.00 H new ATOM 0 HA GLN A 14 9.364 28.837 -26.679 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.853 29.634 -28.370 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.685 29.773 -26.834 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.161 27.486 -28.788 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.090 28.972 -28.801 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.947 26.160 -28.354 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.753 26.152 -26.782 1.00 0.00 H new ATOM 207 N ALA A 15 8.811 27.424 -28.759 1.00 0.00 N ATOM 208 CA ALA A 15 8.306 26.543 -29.819 1.00 0.00 C ATOM 209 C ALA A 15 9.432 26.180 -30.794 1.00 0.00 C ATOM 210 O ALA A 15 10.111 27.064 -31.322 1.00 0.00 O ATOM 211 CB ALA A 15 7.135 27.225 -30.547 1.00 0.00 C ATOM 0 H ALA A 15 8.386 28.351 -28.771 1.00 0.00 H new ATOM 0 HA ALA A 15 7.942 25.617 -29.375 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.763 26.568 -31.333 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.334 27.430 -29.836 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.477 28.161 -30.988 1.00 0.00 H new ATOM 217 N GLY A 16 9.637 24.874 -30.984 1.00 0.00 N ATOM 218 CA GLY A 16 10.712 24.332 -31.810 1.00 0.00 C ATOM 219 C GLY A 16 11.767 23.646 -30.963 1.00 0.00 C ATOM 220 O GLY A 16 12.523 22.795 -31.462 1.00 0.00 O ATOM 0 H GLY A 16 9.050 24.155 -30.561 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.300 23.622 -32.527 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.171 25.136 -32.386 1.00 0.00 H new ATOM 224 N GLY A 17 11.788 24.001 -29.662 1.00 0.00 N ATOM 225 CA GLY A 17 12.722 23.438 -28.700 1.00 0.00 C ATOM 226 C GLY A 17 12.410 21.996 -28.318 1.00 0.00 C ATOM 227 O GLY A 17 11.608 21.309 -28.971 1.00 0.00 O ATOM 0 H GLY A 17 11.151 24.689 -29.261 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.729 23.486 -29.114 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.718 24.053 -27.800 1.00 0.00 H new ATOM 231 N SER A 18 13.066 21.539 -27.252 1.00 0.00 N ATOM 232 CA SER A 18 12.923 20.181 -26.722 1.00 0.00 C ATOM 233 C SER A 18 12.736 20.245 -25.199 1.00 0.00 C ATOM 234 O SER A 18 13.478 20.958 -24.509 1.00 0.00 O ATOM 235 CB SER A 18 14.165 19.332 -27.093 1.00 0.00 C ATOM 236 OG SER A 18 15.381 19.982 -26.726 1.00 0.00 O ATOM 0 H SER A 18 13.724 22.111 -26.722 1.00 0.00 H new ATOM 0 HA SER A 18 12.046 19.706 -27.162 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.106 18.364 -26.595 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.166 19.139 -28.166 1.00 0.00 H new ATOM 0 HG SER A 18 16.142 19.416 -26.974 1.00 0.00 H new ATOM 242 N LEU A 19 11.740 19.506 -24.691 1.00 0.00 N ATOM 243 CA LEU A 19 11.460 19.410 -23.258 1.00 0.00 C ATOM 244 C LEU A 19 11.217 17.941 -22.905 1.00 0.00 C ATOM 245 O LEU A 19 10.302 17.307 -23.450 1.00 0.00 O ATOM 246 CB LEU A 19 10.235 20.285 -22.875 1.00 0.00 C ATOM 247 CG LEU A 19 10.003 20.479 -21.349 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.234 21.145 -20.692 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.707 21.273 -21.075 1.00 0.00 C ATOM 0 H LEU A 19 11.104 18.956 -25.269 1.00 0.00 H new ATOM 0 HA LEU A 19 12.313 19.784 -22.692 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.353 21.266 -23.335 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.340 19.836 -23.307 1.00 0.00 H new ATOM 0 HG LEU A 19 9.876 19.496 -20.895 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.053 21.272 -19.625 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.111 20.514 -20.838 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.408 22.119 -21.149 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.573 21.392 -20.000 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.776 22.255 -21.543 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.855 20.733 -21.489 1.00 0.00 H new ATOM 261 N ARG A 20 12.062 17.393 -22.025 1.00 0.00 N ATOM 262 CA ARG A 20 11.956 16.007 -21.572 1.00 0.00 C ATOM 263 C ARG A 20 11.224 15.958 -20.226 1.00 0.00 C ATOM 264 O ARG A 20 11.662 16.582 -19.252 1.00 0.00 O ATOM 265 CB ARG A 20 13.361 15.371 -21.425 1.00 0.00 C ATOM 266 CG ARG A 20 13.350 13.854 -21.120 1.00 0.00 C ATOM 267 CD ARG A 20 14.735 13.310 -20.737 1.00 0.00 C ATOM 268 NE ARG A 20 15.755 13.546 -21.770 1.00 0.00 N ATOM 269 CZ ARG A 20 17.039 13.177 -21.677 1.00 0.00 C ATOM 270 NH1 ARG A 20 17.496 12.535 -20.599 1.00 0.00 N ATOM 271 NH2 ARG A 20 17.862 13.445 -22.669 1.00 0.00 N ATOM 0 H ARG A 20 12.841 17.902 -21.607 1.00 0.00 H new ATOM 0 HA ARG A 20 11.394 15.441 -22.315 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.920 15.540 -22.345 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.897 15.885 -20.627 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.651 13.657 -20.307 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.983 13.316 -21.994 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.056 13.775 -19.805 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.658 12.239 -20.549 1.00 0.00 H new ATOM 0 HE ARG A 20 15.463 14.027 -22.621 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.864 12.318 -19.829 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.477 12.262 -20.546 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.520 13.930 -23.499 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.842 13.168 -22.608 1.00 0.00 H new ATOM 285 N LEU A 21 10.103 15.239 -20.187 1.00 0.00 N ATOM 286 CA LEU A 21 9.378 14.952 -18.949 1.00 0.00 C ATOM 287 C LEU A 21 9.958 13.687 -18.300 1.00 0.00 C ATOM 288 O LEU A 21 10.578 12.857 -18.979 1.00 0.00 O ATOM 289 CB LEU A 21 7.857 14.780 -19.216 1.00 0.00 C ATOM 290 CG LEU A 21 7.094 16.016 -19.791 1.00 0.00 C ATOM 291 CD1 LEU A 21 7.464 17.305 -19.040 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.296 16.158 -21.310 1.00 0.00 C ATOM 0 H LEU A 21 9.669 14.837 -21.018 1.00 0.00 H new ATOM 0 HA LEU A 21 9.499 15.795 -18.269 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.727 13.949 -19.909 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.379 14.492 -18.280 1.00 0.00 H new ATOM 0 HG LEU A 21 6.030 15.843 -19.630 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.915 18.145 -19.466 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.205 17.199 -17.986 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.535 17.486 -19.134 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.749 17.029 -21.670 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.357 16.281 -21.526 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.925 15.264 -21.812 1.00 0.00 H new ATOM 304 N SER A 22 9.751 13.559 -16.989 1.00 0.00 N ATOM 305 CA SER A 22 10.264 12.446 -16.187 1.00 0.00 C ATOM 306 C SER A 22 9.259 12.117 -15.083 1.00 0.00 C ATOM 307 O SER A 22 8.858 12.999 -14.328 1.00 0.00 O ATOM 308 CB SER A 22 11.641 12.816 -15.592 1.00 0.00 C ATOM 309 OG SER A 22 11.614 14.082 -14.950 1.00 0.00 O ATOM 0 H SER A 22 9.214 14.235 -16.446 1.00 0.00 H new ATOM 0 HA SER A 22 10.395 11.565 -16.816 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.945 12.052 -14.877 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.389 12.826 -16.385 1.00 0.00 H new ATOM 0 HG SER A 22 12.501 14.282 -14.584 1.00 0.00 H new ATOM 315 N CYS A 23 8.854 10.845 -15.016 1.00 0.00 N ATOM 316 CA CYS A 23 7.898 10.331 -14.035 1.00 0.00 C ATOM 317 C CYS A 23 8.550 9.183 -13.262 1.00 0.00 C ATOM 318 O CYS A 23 8.773 8.097 -13.812 1.00 0.00 O ATOM 319 CB CYS A 23 6.621 9.839 -14.736 1.00 0.00 C ATOM 320 SG CYS A 23 5.353 9.218 -13.606 1.00 0.00 S ATOM 0 H CYS A 23 9.191 10.128 -15.659 1.00 0.00 H new ATOM 0 HA CYS A 23 7.622 11.129 -13.346 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.202 10.658 -15.321 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.886 9.048 -15.438 1.00 0.00 H new ATOM 0 HG CYS A 23 5.916 8.529 -12.658 1.00 0.00 H new ATOM 326 N VAL A 24 8.888 9.449 -12.005 1.00 0.00 N ATOM 327 CA VAL A 24 9.551 8.491 -11.126 1.00 0.00 C ATOM 328 C VAL A 24 8.481 7.664 -10.386 1.00 0.00 C ATOM 329 O VAL A 24 7.715 8.212 -9.582 1.00 0.00 O ATOM 330 CB VAL A 24 10.475 9.237 -10.099 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.340 8.248 -9.304 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.356 10.308 -10.793 1.00 0.00 C ATOM 0 H VAL A 24 8.707 10.349 -11.561 1.00 0.00 H new ATOM 0 HA VAL A 24 10.177 7.826 -11.721 1.00 0.00 H new ATOM 0 HB VAL A 24 9.821 9.753 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.968 8.797 -8.602 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.696 7.561 -8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.971 7.683 -9.990 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.981 10.802 -10.049 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.990 9.830 -11.540 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.717 11.046 -11.278 1.00 0.00 H new ATOM 342 N ALA A 25 8.438 6.350 -10.657 1.00 0.00 N ATOM 343 CA ALA A 25 7.400 5.457 -10.121 1.00 0.00 C ATOM 344 C ALA A 25 7.860 4.898 -8.767 1.00 0.00 C ATOM 345 O ALA A 25 8.750 4.047 -8.708 1.00 0.00 O ATOM 346 CB ALA A 25 7.086 4.328 -11.124 1.00 0.00 C ATOM 0 H ALA A 25 9.119 5.879 -11.252 1.00 0.00 H new ATOM 0 HA ALA A 25 6.478 6.019 -9.968 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.316 3.677 -10.710 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.731 4.761 -12.059 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.989 3.747 -11.312 1.00 0.00 H new ATOM 352 N SER A 26 7.284 5.469 -7.688 1.00 0.00 N ATOM 353 CA SER A 26 7.539 5.102 -6.277 1.00 0.00 C ATOM 354 C SER A 26 9.045 5.160 -5.915 1.00 0.00 C ATOM 355 O SER A 26 9.544 4.362 -5.114 1.00 0.00 O ATOM 356 CB SER A 26 6.873 3.738 -5.903 1.00 0.00 C ATOM 357 OG SER A 26 7.316 2.652 -6.703 1.00 0.00 O ATOM 0 H SER A 26 6.605 6.225 -7.777 1.00 0.00 H new ATOM 0 HA SER A 26 7.058 5.859 -5.658 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.081 3.516 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.791 3.832 -6.000 1.00 0.00 H new ATOM 0 HG SER A 26 6.864 1.830 -6.418 1.00 0.00 H new ATOM 363 N GLY A 27 9.741 6.153 -6.495 1.00 0.00 N ATOM 364 CA GLY A 27 11.166 6.363 -6.248 1.00 0.00 C ATOM 365 C GLY A 27 12.017 5.336 -6.969 1.00 0.00 C ATOM 366 O GLY A 27 12.138 5.370 -8.195 1.00 0.00 O ATOM 0 H GLY A 27 9.329 6.825 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.448 7.364 -6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.361 6.310 -5.177 1.00 0.00 H new ATOM 370 N ARG A 28 12.595 4.409 -6.201 1.00 0.00 N ATOM 371 CA ARG A 28 13.395 3.284 -6.725 1.00 0.00 C ATOM 372 C ARG A 28 12.746 1.938 -6.335 1.00 0.00 C ATOM 373 O ARG A 28 13.343 0.869 -6.508 1.00 0.00 O ATOM 374 CB ARG A 28 14.854 3.405 -6.212 1.00 0.00 C ATOM 375 CG ARG A 28 15.603 4.659 -6.736 1.00 0.00 C ATOM 376 CD ARG A 28 17.009 4.809 -6.134 1.00 0.00 C ATOM 377 NE ARG A 28 16.979 5.071 -4.679 1.00 0.00 N ATOM 378 CZ ARG A 28 17.991 4.835 -3.830 1.00 0.00 C ATOM 379 NH1 ARG A 28 19.102 4.238 -4.243 1.00 0.00 N ATOM 380 NH2 ARG A 28 17.875 5.179 -2.556 1.00 0.00 N ATOM 0 H ARG A 28 12.523 4.413 -5.184 1.00 0.00 H new ATOM 0 HA ARG A 28 13.420 3.321 -7.814 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.845 3.428 -5.122 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.408 2.514 -6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.682 4.602 -7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.017 5.549 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.581 3.901 -6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.530 5.624 -6.636 1.00 0.00 H new ATOM 0 HE ARG A 28 16.121 5.462 -4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.195 3.952 -5.218 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.863 4.065 -3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.018 5.622 -2.223 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.642 5.001 -1.908 1.00 0.00 H new ATOM 394 N THR A 29 11.512 2.013 -5.824 1.00 0.00 N ATOM 395 CA THR A 29 10.667 0.840 -5.557 1.00 0.00 C ATOM 396 C THR A 29 9.990 0.413 -6.868 1.00 0.00 C ATOM 397 O THR A 29 9.653 1.270 -7.697 1.00 0.00 O ATOM 398 CB THR A 29 9.592 1.187 -4.479 1.00 0.00 C ATOM 399 OG1 THR A 29 10.249 1.676 -3.301 1.00 0.00 O ATOM 400 CG2 THR A 29 8.688 -0.006 -4.113 1.00 0.00 C ATOM 0 H THR A 29 11.066 2.898 -5.581 1.00 0.00 H new ATOM 0 HA THR A 29 11.278 0.022 -5.177 1.00 0.00 H new ATOM 0 HB THR A 29 8.941 1.949 -4.907 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.579 1.897 -2.621 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.964 0.304 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.161 -0.349 -5.003 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.299 -0.817 -3.717 1.00 0.00 H new ATOM 408 N PHE A 30 9.766 -0.901 -7.037 1.00 0.00 N ATOM 409 CA PHE A 30 9.158 -1.445 -8.255 1.00 0.00 C ATOM 410 C PHE A 30 7.700 -1.809 -7.943 1.00 0.00 C ATOM 411 O PHE A 30 7.422 -2.677 -7.115 1.00 0.00 O ATOM 412 CB PHE A 30 9.967 -2.696 -8.727 1.00 0.00 C ATOM 413 CG PHE A 30 9.424 -3.397 -9.974 1.00 0.00 C ATOM 414 CD1 PHE A 30 8.809 -4.651 -9.888 1.00 0.00 C ATOM 415 CD2 PHE A 30 9.526 -2.810 -11.233 1.00 0.00 C ATOM 416 CE1 PHE A 30 8.319 -5.282 -11.014 1.00 0.00 C ATOM 417 CE2 PHE A 30 9.033 -3.445 -12.357 1.00 0.00 C ATOM 418 CZ PHE A 30 8.430 -4.679 -12.247 1.00 0.00 C ATOM 0 H PHE A 30 10.000 -1.607 -6.339 1.00 0.00 H new ATOM 0 HA PHE A 30 9.177 -0.711 -9.061 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.995 -2.390 -8.921 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.998 -3.417 -7.910 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.716 -5.133 -8.926 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.998 -1.844 -11.332 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.848 -6.250 -10.928 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.121 -2.973 -13.324 1.00 0.00 H new ATOM 0 HZ PHE A 30 8.045 -5.173 -13.127 1.00 0.00 H new ATOM 428 N ARG A 31 6.790 -1.097 -8.622 1.00 0.00 N ATOM 429 CA ARG A 31 5.325 -1.334 -8.624 1.00 0.00 C ATOM 430 C ARG A 31 4.745 -0.857 -9.971 1.00 0.00 C ATOM 431 O ARG A 31 3.525 -0.796 -10.157 1.00 0.00 O ATOM 432 CB ARG A 31 4.612 -0.596 -7.436 1.00 0.00 C ATOM 433 CG ARG A 31 4.766 -1.267 -6.044 1.00 0.00 C ATOM 434 CD ARG A 31 4.227 -2.713 -6.018 1.00 0.00 C ATOM 435 NE ARG A 31 4.352 -3.340 -4.684 1.00 0.00 N ATOM 436 CZ ARG A 31 4.498 -4.658 -4.451 1.00 0.00 C ATOM 437 NH1 ARG A 31 4.661 -5.514 -5.452 1.00 0.00 N ATOM 438 NH2 ARG A 31 4.519 -5.110 -3.202 1.00 0.00 N ATOM 0 H ARG A 31 7.056 -0.308 -9.210 1.00 0.00 H new ATOM 0 HA ARG A 31 5.147 -2.401 -8.493 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.002 0.420 -7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.550 -0.516 -7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.819 -1.271 -5.761 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.238 -0.673 -5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.179 -2.712 -6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.768 -3.312 -6.750 1.00 0.00 H new ATOM 0 HE ARG A 31 4.325 -2.722 -3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.677 -5.176 -6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.770 -6.510 -5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.425 -4.459 -2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.629 -6.108 -3.023 1.00 0.00 H new ATOM 452 N SER A 32 5.648 -0.557 -10.918 1.00 0.00 N ATOM 453 CA SER A 32 5.315 0.020 -12.216 1.00 0.00 C ATOM 454 C SER A 32 4.980 -1.088 -13.226 1.00 0.00 C ATOM 455 O SER A 32 5.866 -1.629 -13.906 1.00 0.00 O ATOM 456 CB SER A 32 6.491 0.911 -12.681 1.00 0.00 C ATOM 457 OG SER A 32 7.745 0.283 -12.430 1.00 0.00 O ATOM 0 H SER A 32 6.648 -0.715 -10.793 1.00 0.00 H new ATOM 0 HA SER A 32 4.425 0.645 -12.137 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.393 1.120 -13.746 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.451 1.869 -12.163 1.00 0.00 H new ATOM 0 HG SER A 32 8.470 0.867 -12.735 1.00 0.00 H new ATOM 463 N ASN A 33 3.690 -1.464 -13.253 1.00 0.00 N ATOM 464 CA ASN A 33 3.141 -2.370 -14.273 1.00 0.00 C ATOM 465 C ASN A 33 3.084 -1.650 -15.619 1.00 0.00 C ATOM 466 O ASN A 33 3.550 -2.173 -16.637 1.00 0.00 O ATOM 467 CB ASN A 33 1.721 -2.857 -13.879 1.00 0.00 C ATOM 468 CG ASN A 33 1.721 -3.709 -12.615 1.00 0.00 C ATOM 469 OD1 ASN A 33 1.564 -3.200 -11.505 1.00 0.00 O ATOM 470 ND2 ASN A 33 1.915 -5.009 -12.767 1.00 0.00 N ATOM 0 H ASN A 33 3.001 -1.149 -12.570 1.00 0.00 H new ATOM 0 HA ASN A 33 3.793 -3.241 -14.348 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.073 -1.993 -13.730 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.298 -3.434 -14.701 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.938 -5.620 -11.951 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.042 -5.400 -13.701 1.00 0.00 H new ATOM 477 N ALA A 34 2.524 -0.424 -15.585 1.00 0.00 N ATOM 478 CA ALA A 34 2.233 0.368 -16.788 1.00 0.00 C ATOM 479 C ALA A 34 1.859 1.811 -16.429 1.00 0.00 C ATOM 480 O ALA A 34 0.975 2.034 -15.602 1.00 0.00 O ATOM 481 CB ALA A 34 1.113 -0.280 -17.605 1.00 0.00 C ATOM 0 H ALA A 34 2.261 0.043 -14.717 1.00 0.00 H new ATOM 0 HA ALA A 34 3.139 0.393 -17.393 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.914 0.323 -18.491 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.417 -1.282 -17.908 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.210 -0.343 -16.998 1.00 0.00 H new ATOM 487 N MET A 35 2.562 2.775 -17.055 1.00 0.00 N ATOM 488 CA MET A 35 2.299 4.218 -16.930 1.00 0.00 C ATOM 489 C MET A 35 2.107 4.801 -18.346 1.00 0.00 C ATOM 490 O MET A 35 3.018 4.720 -19.183 1.00 0.00 O ATOM 491 CB MET A 35 3.490 4.951 -16.222 1.00 0.00 C ATOM 492 CG MET A 35 3.847 4.453 -14.805 1.00 0.00 C ATOM 493 SD MET A 35 4.395 2.723 -14.740 1.00 0.00 S ATOM 494 CE MET A 35 5.739 2.689 -15.933 1.00 0.00 C ATOM 0 H MET A 35 3.345 2.565 -17.674 1.00 0.00 H new ATOM 0 HA MET A 35 1.405 4.366 -16.325 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.374 4.856 -16.852 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.253 6.013 -16.163 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.634 5.087 -14.397 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.976 4.571 -14.160 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.202 1.702 -15.932 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.348 2.905 -16.927 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.483 3.439 -15.664 1.00 0.00 H new ATOM 504 N GLY A 36 0.929 5.374 -18.602 1.00 0.00 N ATOM 505 CA GLY A 36 0.640 6.063 -19.856 1.00 0.00 C ATOM 506 C GLY A 36 0.679 7.576 -19.692 1.00 0.00 C ATOM 507 O GLY A 36 0.227 8.105 -18.669 1.00 0.00 O ATOM 0 H GLY A 36 0.150 5.372 -17.944 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.364 5.761 -20.612 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.343 5.762 -20.218 1.00 0.00 H new ATOM 511 N TRP A 37 1.235 8.275 -20.698 1.00 0.00 N ATOM 512 CA TRP A 37 1.274 9.743 -20.729 1.00 0.00 C ATOM 513 C TRP A 37 -0.016 10.261 -21.380 1.00 0.00 C ATOM 514 O TRP A 37 -0.377 9.834 -22.483 1.00 0.00 O ATOM 515 CB TRP A 37 2.516 10.248 -21.515 1.00 0.00 C ATOM 516 CG TRP A 37 3.839 9.828 -20.910 1.00 0.00 C ATOM 517 CD1 TRP A 37 4.522 8.672 -21.152 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.631 10.561 -19.960 1.00 0.00 C ATOM 519 NE1 TRP A 37 5.682 8.643 -20.425 1.00 0.00 N ATOM 520 CE2 TRP A 37 5.773 9.785 -19.684 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.486 11.799 -19.321 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.760 10.199 -18.795 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.470 12.212 -18.442 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.596 11.412 -18.186 1.00 0.00 C ATOM 0 H TRP A 37 1.669 7.836 -21.510 1.00 0.00 H new ATOM 0 HA TRP A 37 1.350 10.121 -19.710 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.462 9.876 -22.538 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.482 11.336 -21.569 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.194 7.891 -21.822 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.368 7.888 -20.436 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.622 12.419 -19.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.625 9.584 -18.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.371 13.165 -17.944 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.347 11.762 -17.494 1.00 0.00 H new ATOM 535 N PHE A 38 -0.725 11.141 -20.668 1.00 0.00 N ATOM 536 CA PHE A 38 -1.921 11.840 -21.171 1.00 0.00 C ATOM 537 C PHE A 38 -1.707 13.351 -20.970 1.00 0.00 C ATOM 538 O PHE A 38 -1.026 13.752 -20.028 1.00 0.00 O ATOM 539 CB PHE A 38 -3.203 11.373 -20.416 1.00 0.00 C ATOM 540 CG PHE A 38 -3.551 9.889 -20.573 1.00 0.00 C ATOM 541 CD1 PHE A 38 -4.512 9.467 -21.496 1.00 0.00 C ATOM 542 CD2 PHE A 38 -2.921 8.914 -19.796 1.00 0.00 C ATOM 543 CE1 PHE A 38 -4.825 8.126 -21.634 1.00 0.00 C ATOM 544 CE2 PHE A 38 -3.236 7.573 -19.937 1.00 0.00 C ATOM 545 CZ PHE A 38 -4.183 7.180 -20.857 1.00 0.00 C ATOM 0 H PHE A 38 -0.484 11.395 -19.710 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.063 11.610 -22.227 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.079 11.590 -19.355 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.048 11.966 -20.766 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.017 10.198 -22.110 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.176 9.211 -19.073 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.572 7.818 -22.350 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.739 6.835 -19.325 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.424 6.133 -20.971 1.00 0.00 H new ATOM 555 N ARG A 39 -2.269 14.186 -21.853 1.00 0.00 N ATOM 556 CA ARG A 39 -2.174 15.655 -21.719 1.00 0.00 C ATOM 557 C ARG A 39 -3.571 16.275 -21.764 1.00 0.00 C ATOM 558 O ARG A 39 -4.418 15.853 -22.546 1.00 0.00 O ATOM 559 CB ARG A 39 -1.268 16.270 -22.822 1.00 0.00 C ATOM 560 CG ARG A 39 -1.853 16.254 -24.255 1.00 0.00 C ATOM 561 CD ARG A 39 -0.908 16.886 -25.279 1.00 0.00 C ATOM 562 NE ARG A 39 -1.526 17.083 -26.604 1.00 0.00 N ATOM 563 CZ ARG A 39 -0.917 17.687 -27.645 1.00 0.00 C ATOM 564 NH1 ARG A 39 0.378 18.008 -27.587 1.00 0.00 N ATOM 565 NH2 ARG A 39 -1.604 17.954 -28.747 1.00 0.00 N ATOM 0 H ARG A 39 -2.795 13.875 -22.669 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.715 15.879 -20.756 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.046 17.302 -22.551 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.320 15.732 -22.830 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.064 15.225 -24.547 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.803 16.789 -24.263 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.565 17.849 -24.900 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.027 16.254 -25.388 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.477 16.740 -26.742 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.919 17.797 -26.748 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.826 18.464 -28.381 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.591 17.703 -28.806 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.146 18.411 -29.536 1.00 0.00 H new ATOM 579 N GLN A 40 -3.807 17.265 -20.912 1.00 0.00 N ATOM 580 CA GLN A 40 -5.058 18.039 -20.905 1.00 0.00 C ATOM 581 C GLN A 40 -4.710 19.511 -21.115 1.00 0.00 C ATOM 582 O GLN A 40 -3.833 20.040 -20.431 1.00 0.00 O ATOM 583 CB GLN A 40 -5.820 17.848 -19.563 1.00 0.00 C ATOM 584 CG GLN A 40 -6.282 16.402 -19.298 1.00 0.00 C ATOM 585 CD GLN A 40 -7.017 16.217 -17.970 1.00 0.00 C ATOM 586 OE1 GLN A 40 -6.742 16.914 -16.999 1.00 0.00 O ATOM 587 NE2 GLN A 40 -7.948 15.273 -17.913 1.00 0.00 N ATOM 0 H GLN A 40 -3.138 17.561 -20.201 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.711 17.689 -21.705 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.176 18.167 -18.744 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.691 18.503 -19.557 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.936 16.086 -20.111 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.413 15.745 -19.315 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.154 14.710 -18.738 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.457 15.111 -17.044 1.00 0.00 H new ATOM 596 N ALA A 41 -5.389 20.166 -22.063 1.00 0.00 N ATOM 597 CA ALA A 41 -5.240 21.614 -22.280 1.00 0.00 C ATOM 598 C ALA A 41 -6.020 22.381 -21.186 1.00 0.00 C ATOM 599 O ALA A 41 -6.947 21.809 -20.593 1.00 0.00 O ATOM 600 CB ALA A 41 -5.724 21.986 -23.692 1.00 0.00 C ATOM 0 H ALA A 41 -6.050 19.716 -22.696 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.189 21.895 -22.208 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.610 23.059 -23.845 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.131 21.449 -24.433 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.774 21.713 -23.800 1.00 0.00 H new ATOM 606 N PRO A 42 -5.630 23.654 -20.852 1.00 0.00 N ATOM 607 CA PRO A 42 -6.390 24.495 -19.886 1.00 0.00 C ATOM 608 C PRO A 42 -7.891 24.624 -20.266 1.00 0.00 C ATOM 609 O PRO A 42 -8.244 25.341 -21.207 1.00 0.00 O ATOM 610 CB PRO A 42 -5.651 25.861 -19.931 1.00 0.00 C ATOM 611 CG PRO A 42 -4.258 25.509 -20.360 1.00 0.00 C ATOM 612 CD PRO A 42 -4.406 24.359 -21.332 1.00 0.00 C ATOM 0 HA PRO A 42 -6.412 24.064 -18.885 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.123 26.547 -20.634 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.657 26.350 -18.957 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.767 26.360 -20.832 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.646 25.222 -19.505 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.522 24.712 -22.357 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.534 23.705 -21.316 1.00 0.00 H new ATOM 620 N GLY A 43 -8.743 23.858 -19.554 1.00 0.00 N ATOM 621 CA GLY A 43 -10.192 23.844 -19.778 1.00 0.00 C ATOM 622 C GLY A 43 -10.643 22.699 -20.679 1.00 0.00 C ATOM 623 O GLY A 43 -11.735 22.753 -21.258 1.00 0.00 O ATOM 0 H GLY A 43 -8.439 23.233 -18.808 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.702 23.766 -18.818 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.495 24.791 -20.224 1.00 0.00 H new ATOM 627 N LYS A 44 -9.813 21.640 -20.792 1.00 0.00 N ATOM 628 CA LYS A 44 -10.066 20.512 -21.719 1.00 0.00 C ATOM 629 C LYS A 44 -9.867 19.142 -21.046 1.00 0.00 C ATOM 630 O LYS A 44 -9.369 19.035 -19.917 1.00 0.00 O ATOM 631 CB LYS A 44 -9.148 20.631 -22.983 1.00 0.00 C ATOM 632 CG LYS A 44 -9.553 21.707 -24.043 1.00 0.00 C ATOM 633 CD LYS A 44 -10.584 21.193 -25.093 1.00 0.00 C ATOM 634 CE LYS A 44 -12.004 20.958 -24.542 1.00 0.00 C ATOM 635 NZ LYS A 44 -12.840 20.172 -25.486 1.00 0.00 N ATOM 0 H LYS A 44 -8.955 21.541 -20.249 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.111 20.574 -22.021 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.134 20.847 -22.648 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.120 19.660 -23.477 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.972 22.572 -23.528 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.657 22.048 -24.563 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.641 21.914 -25.909 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.215 20.259 -25.517 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.942 20.433 -23.589 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.481 21.918 -24.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.831 20.193 -25.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.770 20.584 -26.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.505 19.188 -25.510 1.00 0.00 H new ATOM 649 N GLU A 45 -10.283 18.095 -21.792 1.00 0.00 N ATOM 650 CA GLU A 45 -10.132 16.679 -21.419 1.00 0.00 C ATOM 651 C GLU A 45 -8.827 16.111 -22.020 1.00 0.00 C ATOM 652 O GLU A 45 -8.107 16.810 -22.750 1.00 0.00 O ATOM 653 CB GLU A 45 -11.379 15.846 -21.858 1.00 0.00 C ATOM 654 CG GLU A 45 -11.594 15.667 -23.382 1.00 0.00 C ATOM 655 CD GLU A 45 -12.035 16.943 -24.123 1.00 0.00 C ATOM 656 OE1 GLU A 45 -11.173 17.680 -24.639 1.00 0.00 O ATOM 657 OE2 GLU A 45 -13.247 17.225 -24.165 1.00 0.00 O ATOM 0 H GLU A 45 -10.745 18.219 -22.693 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.066 16.607 -20.333 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.304 14.857 -21.406 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.268 16.320 -21.442 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.666 15.307 -23.826 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.345 14.893 -23.541 1.00 0.00 H new ATOM 664 N ARG A 46 -8.526 14.836 -21.693 1.00 0.00 N ATOM 665 CA ARG A 46 -7.225 14.205 -21.991 1.00 0.00 C ATOM 666 C ARG A 46 -7.006 13.938 -23.489 1.00 0.00 C ATOM 667 O ARG A 46 -7.949 13.886 -24.284 1.00 0.00 O ATOM 668 CB ARG A 46 -7.017 12.900 -21.157 1.00 0.00 C ATOM 669 CG ARG A 46 -7.678 11.582 -21.679 1.00 0.00 C ATOM 670 CD ARG A 46 -9.229 11.578 -21.698 1.00 0.00 C ATOM 671 NE ARG A 46 -9.802 12.153 -22.933 1.00 0.00 N ATOM 672 CZ ARG A 46 -11.070 12.012 -23.350 1.00 0.00 C ATOM 673 NH1 ARG A 46 -11.951 11.307 -22.649 1.00 0.00 N ATOM 674 NH2 ARG A 46 -11.444 12.573 -24.489 1.00 0.00 N ATOM 0 H ARG A 46 -9.180 14.216 -21.215 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.469 14.931 -21.693 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.944 12.725 -21.073 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.390 13.084 -20.150 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.319 11.391 -22.690 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.337 10.754 -21.058 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.584 10.554 -21.584 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.597 12.140 -20.840 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.178 12.706 -23.521 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.669 10.861 -21.776 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.910 11.212 -22.983 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.771 13.106 -25.040 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.405 12.472 -24.816 1.00 0.00 H new ATOM 688 N GLU A 47 -5.727 13.825 -23.845 1.00 0.00 N ATOM 689 CA GLU A 47 -5.266 13.322 -25.130 1.00 0.00 C ATOM 690 C GLU A 47 -4.253 12.213 -24.844 1.00 0.00 C ATOM 691 O GLU A 47 -3.292 12.433 -24.094 1.00 0.00 O ATOM 692 CB GLU A 47 -4.616 14.450 -25.974 1.00 0.00 C ATOM 693 CG GLU A 47 -4.032 14.005 -27.333 1.00 0.00 C ATOM 694 CD GLU A 47 -5.094 13.415 -28.276 1.00 0.00 C ATOM 695 OE1 GLU A 47 -5.353 12.190 -28.222 1.00 0.00 O ATOM 696 OE2 GLU A 47 -5.699 14.178 -29.064 1.00 0.00 O ATOM 0 H GLU A 47 -4.962 14.090 -23.224 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.107 12.940 -25.709 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.363 15.223 -26.154 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.819 14.907 -25.387 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.558 14.859 -27.817 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.252 13.263 -27.162 1.00 0.00 H new ATOM 703 N PHE A 48 -4.491 11.031 -25.420 1.00 0.00 N ATOM 704 CA PHE A 48 -3.599 9.877 -25.292 1.00 0.00 C ATOM 705 C PHE A 48 -2.292 10.179 -26.042 1.00 0.00 C ATOM 706 O PHE A 48 -2.290 10.294 -27.271 1.00 0.00 O ATOM 707 CB PHE A 48 -4.295 8.604 -25.849 1.00 0.00 C ATOM 708 CG PHE A 48 -3.478 7.322 -25.723 1.00 0.00 C ATOM 709 CD1 PHE A 48 -2.692 6.858 -26.779 1.00 0.00 C ATOM 710 CD2 PHE A 48 -3.487 6.582 -24.542 1.00 0.00 C ATOM 711 CE1 PHE A 48 -1.952 5.705 -26.655 1.00 0.00 C ATOM 712 CE2 PHE A 48 -2.745 5.425 -24.420 1.00 0.00 C ATOM 713 CZ PHE A 48 -1.976 4.988 -25.475 1.00 0.00 C ATOM 0 H PHE A 48 -5.315 10.848 -25.993 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.367 9.691 -24.243 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.242 8.467 -25.328 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.531 8.766 -26.901 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.664 7.412 -27.706 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.085 6.920 -23.708 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.351 5.360 -27.483 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.767 4.863 -23.498 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.392 4.085 -25.380 1.00 0.00 H new ATOM 723 N VAL A 49 -1.202 10.364 -25.282 1.00 0.00 N ATOM 724 CA VAL A 49 0.127 10.685 -25.835 1.00 0.00 C ATOM 725 C VAL A 49 0.935 9.391 -26.022 1.00 0.00 C ATOM 726 O VAL A 49 1.439 9.118 -27.116 1.00 0.00 O ATOM 727 CB VAL A 49 0.923 11.687 -24.908 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.306 12.074 -25.506 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.075 12.942 -24.594 1.00 0.00 C ATOM 0 H VAL A 49 -1.215 10.296 -24.264 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.020 11.173 -26.798 1.00 0.00 H new ATOM 0 HB VAL A 49 1.122 11.167 -23.971 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.814 12.764 -24.832 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.912 11.177 -25.631 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.162 12.553 -26.475 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.645 13.616 -23.955 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.179 13.452 -25.524 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.840 12.644 -24.082 1.00 0.00 H new ATOM 739 N ALA A 50 1.019 8.584 -24.944 1.00 0.00 N ATOM 740 CA ALA A 50 1.858 7.371 -24.906 1.00 0.00 C ATOM 741 C ALA A 50 1.342 6.354 -23.872 1.00 0.00 C ATOM 742 O ALA A 50 0.445 6.662 -23.083 1.00 0.00 O ATOM 743 CB ALA A 50 3.319 7.756 -24.609 1.00 0.00 C ATOM 0 H ALA A 50 0.508 8.755 -24.078 1.00 0.00 H new ATOM 0 HA ALA A 50 1.806 6.891 -25.883 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.934 6.856 -24.582 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.685 8.423 -25.389 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.373 8.262 -23.645 1.00 0.00 H new ATOM 749 N ALA A 51 1.919 5.132 -23.914 1.00 0.00 N ATOM 750 CA ALA A 51 1.671 4.067 -22.924 1.00 0.00 C ATOM 751 C ALA A 51 2.876 3.106 -22.865 1.00 0.00 C ATOM 752 O ALA A 51 3.239 2.466 -23.876 1.00 0.00 O ATOM 753 CB ALA A 51 0.377 3.308 -23.243 1.00 0.00 C ATOM 0 H ALA A 51 2.576 4.858 -24.644 1.00 0.00 H new ATOM 0 HA ALA A 51 1.548 4.528 -21.944 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.219 2.529 -22.497 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.464 4.001 -23.228 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.456 2.854 -24.231 1.00 0.00 H new ATOM 759 N ILE A 52 3.477 3.014 -21.659 1.00 0.00 N ATOM 760 CA ILE A 52 4.699 2.243 -21.398 1.00 0.00 C ATOM 761 C ILE A 52 4.417 1.218 -20.300 1.00 0.00 C ATOM 762 O ILE A 52 4.121 1.591 -19.167 1.00 0.00 O ATOM 763 CB ILE A 52 5.926 3.141 -20.942 1.00 0.00 C ATOM 764 CG1 ILE A 52 6.290 4.241 -21.997 1.00 0.00 C ATOM 765 CG2 ILE A 52 7.165 2.259 -20.621 1.00 0.00 C ATOM 766 CD1 ILE A 52 5.391 5.465 -22.003 1.00 0.00 C ATOM 0 H ILE A 52 3.116 3.484 -20.829 1.00 0.00 H new ATOM 0 HA ILE A 52 4.976 1.766 -22.338 1.00 0.00 H new ATOM 0 HB ILE A 52 5.617 3.660 -20.035 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.315 4.566 -21.818 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.267 3.790 -22.989 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.994 2.895 -20.311 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.919 1.565 -19.817 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.452 1.697 -21.510 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.731 6.162 -22.769 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.366 5.162 -22.216 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.430 5.950 -21.028 1.00 0.00 H new ATOM 778 N ARG A 53 4.518 -0.068 -20.642 1.00 0.00 N ATOM 779 CA ARG A 53 4.427 -1.165 -19.671 1.00 0.00 C ATOM 780 C ARG A 53 5.841 -1.591 -19.238 1.00 0.00 C ATOM 781 O ARG A 53 6.845 -1.016 -19.684 1.00 0.00 O ATOM 782 CB ARG A 53 3.629 -2.379 -20.243 1.00 0.00 C ATOM 783 CG ARG A 53 2.150 -2.095 -20.627 1.00 0.00 C ATOM 784 CD ARG A 53 1.983 -1.316 -21.947 1.00 0.00 C ATOM 785 NE ARG A 53 2.485 -2.089 -23.094 1.00 0.00 N ATOM 786 CZ ARG A 53 2.528 -1.669 -24.366 1.00 0.00 C ATOM 787 NH1 ARG A 53 2.218 -0.415 -24.700 1.00 0.00 N ATOM 788 NH2 ARG A 53 2.915 -2.514 -25.310 1.00 0.00 N ATOM 0 H ARG A 53 4.666 -0.381 -21.602 1.00 0.00 H new ATOM 0 HA ARG A 53 3.879 -0.807 -18.800 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.150 -2.748 -21.127 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.646 -3.181 -19.505 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.618 -3.043 -20.707 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.678 -1.531 -19.822 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.930 -1.078 -22.100 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.518 -0.369 -21.882 1.00 0.00 H new ATOM 0 HE ARG A 53 2.832 -3.029 -22.904 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.940 0.251 -23.979 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.259 -0.122 -25.676 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.175 -3.469 -25.064 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.953 -2.209 -26.283 1.00 0.00 H new ATOM 851 N SER A 58 5.967 -1.348 -25.220 1.00 0.00 N ATOM 852 CA SER A 58 5.887 -0.130 -24.393 1.00 0.00 C ATOM 853 C SER A 58 6.164 1.154 -25.215 1.00 0.00 C ATOM 854 O SER A 58 7.133 1.887 -24.964 1.00 0.00 O ATOM 855 CB SER A 58 6.845 -0.280 -23.187 1.00 0.00 C ATOM 856 OG SER A 58 6.570 -1.473 -22.469 1.00 0.00 O ATOM 0 HA SER A 58 4.869 -0.017 -24.020 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.877 -0.290 -23.536 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.741 0.580 -22.525 1.00 0.00 H new ATOM 0 HG SER A 58 6.776 -1.339 -21.520 1.00 0.00 H new ATOM 862 N THR A 59 5.268 1.427 -26.175 1.00 0.00 N ATOM 863 CA THR A 59 5.484 2.426 -27.250 1.00 0.00 C ATOM 864 C THR A 59 4.130 2.898 -27.805 1.00 0.00 C ATOM 865 O THR A 59 3.346 2.070 -28.282 1.00 0.00 O ATOM 866 CB THR A 59 6.339 1.830 -28.442 1.00 0.00 C ATOM 867 OG1 THR A 59 5.849 0.519 -28.796 1.00 0.00 O ATOM 868 CG2 THR A 59 7.846 1.747 -28.138 1.00 0.00 C ATOM 0 H THR A 59 4.363 0.960 -26.234 1.00 0.00 H new ATOM 0 HA THR A 59 6.031 3.261 -26.813 1.00 0.00 H new ATOM 0 HB THR A 59 6.221 2.522 -29.276 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.869 0.529 -28.811 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.368 1.330 -28.999 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.231 2.745 -27.929 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.007 1.107 -27.270 1.00 0.00 H new ATOM 876 N TYR A 60 3.885 4.220 -27.770 1.00 0.00 N ATOM 877 CA TYR A 60 2.682 4.850 -28.345 1.00 0.00 C ATOM 878 C TYR A 60 2.968 6.335 -28.609 1.00 0.00 C ATOM 879 O TYR A 60 3.598 7.007 -27.787 1.00 0.00 O ATOM 880 CB TYR A 60 1.428 4.697 -27.429 1.00 0.00 C ATOM 881 CG TYR A 60 0.655 3.374 -27.573 1.00 0.00 C ATOM 882 CD1 TYR A 60 -0.200 3.157 -28.660 1.00 0.00 C ATOM 883 CD2 TYR A 60 0.753 2.358 -26.620 1.00 0.00 C ATOM 884 CE1 TYR A 60 -0.923 1.986 -28.780 1.00 0.00 C ATOM 885 CE2 TYR A 60 0.034 1.185 -26.744 1.00 0.00 C ATOM 886 CZ TYR A 60 -0.798 1.003 -27.823 1.00 0.00 C ATOM 887 OH TYR A 60 -1.516 -0.163 -27.932 1.00 0.00 O ATOM 0 H TYR A 60 4.523 4.888 -27.337 1.00 0.00 H new ATOM 0 HA TYR A 60 2.452 4.337 -29.279 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.744 4.801 -26.391 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.745 5.520 -27.638 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.296 3.919 -29.419 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.404 2.492 -25.769 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.584 1.842 -29.622 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.125 0.413 -25.995 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.308 -0.747 -27.173 1.00 0.00 H new ATOM 897 N TYR A 61 2.538 6.797 -29.792 1.00 0.00 N ATOM 898 CA TYR A 61 2.603 8.203 -30.240 1.00 0.00 C ATOM 899 C TYR A 61 1.696 8.376 -31.472 1.00 0.00 C ATOM 900 O TYR A 61 1.422 7.408 -32.192 1.00 0.00 O ATOM 901 CB TYR A 61 4.073 8.682 -30.546 1.00 0.00 C ATOM 902 CG TYR A 61 5.070 7.567 -30.921 1.00 0.00 C ATOM 903 CD1 TYR A 61 6.218 7.337 -30.151 1.00 0.00 C ATOM 904 CD2 TYR A 61 4.851 6.718 -32.013 1.00 0.00 C ATOM 905 CE1 TYR A 61 7.101 6.315 -30.457 1.00 0.00 C ATOM 906 CE2 TYR A 61 5.738 5.696 -32.320 1.00 0.00 C ATOM 907 CZ TYR A 61 6.857 5.499 -31.542 1.00 0.00 C ATOM 908 OH TYR A 61 7.742 4.478 -31.852 1.00 0.00 O ATOM 0 H TYR A 61 2.120 6.183 -30.491 1.00 0.00 H new ATOM 0 HA TYR A 61 2.250 8.835 -29.425 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.039 9.404 -31.362 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.455 9.208 -29.671 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.419 7.971 -29.300 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.975 6.861 -32.628 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.979 6.157 -29.848 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.551 5.055 -33.169 1.00 0.00 H new ATOM 0 HH TYR A 61 7.422 3.997 -32.644 1.00 0.00 H new ATOM 918 N ALA A 62 1.208 9.610 -31.679 1.00 0.00 N ATOM 919 CA ALA A 62 0.443 9.991 -32.884 1.00 0.00 C ATOM 920 C ALA A 62 1.407 10.222 -34.062 1.00 0.00 C ATOM 921 O ALA A 62 2.553 10.619 -33.853 1.00 0.00 O ATOM 922 CB ALA A 62 -0.395 11.258 -32.603 1.00 0.00 C ATOM 0 H ALA A 62 1.332 10.375 -31.016 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.239 9.183 -33.148 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.955 11.530 -33.498 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.090 11.061 -31.786 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.267 12.078 -32.326 1.00 0.00 H new ATOM 928 N ASP A 63 0.926 9.991 -35.296 1.00 0.00 N ATOM 929 CA ASP A 63 1.724 10.174 -36.533 1.00 0.00 C ATOM 930 C ASP A 63 2.247 11.621 -36.660 1.00 0.00 C ATOM 931 O ASP A 63 3.349 11.852 -37.171 1.00 0.00 O ATOM 932 CB ASP A 63 0.860 9.821 -37.767 1.00 0.00 C ATOM 933 CG ASP A 63 0.456 8.336 -37.820 1.00 0.00 C ATOM 934 OD1 ASP A 63 1.000 7.581 -38.656 1.00 0.00 O ATOM 935 OD2 ASP A 63 -0.401 7.915 -37.015 1.00 0.00 O ATOM 0 H ASP A 63 -0.027 9.672 -35.470 1.00 0.00 H new ATOM 0 HA ASP A 63 2.585 9.508 -36.481 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.040 10.436 -37.760 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.411 10.073 -38.673 1.00 0.00 H new ATOM 940 N SER A 64 1.437 12.572 -36.161 1.00 0.00 N ATOM 941 CA SER A 64 1.735 14.016 -36.188 1.00 0.00 C ATOM 942 C SER A 64 2.942 14.381 -35.291 1.00 0.00 C ATOM 943 O SER A 64 3.677 15.334 -35.581 1.00 0.00 O ATOM 944 CB SER A 64 0.478 14.789 -35.732 1.00 0.00 C ATOM 945 OG SER A 64 -0.670 14.379 -36.468 1.00 0.00 O ATOM 0 H SER A 64 0.543 12.356 -35.721 1.00 0.00 H new ATOM 0 HA SER A 64 2.004 14.293 -37.207 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.311 14.622 -34.668 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.637 15.859 -35.866 1.00 0.00 H new ATOM 0 HG SER A 64 -1.453 14.881 -36.160 1.00 0.00 H new ATOM 951 N VAL A 65 3.146 13.603 -34.207 1.00 0.00 N ATOM 952 CA VAL A 65 4.221 13.848 -33.221 1.00 0.00 C ATOM 953 C VAL A 65 5.337 12.777 -33.306 1.00 0.00 C ATOM 954 O VAL A 65 6.364 12.912 -32.642 1.00 0.00 O ATOM 955 CB VAL A 65 3.651 13.917 -31.747 1.00 0.00 C ATOM 956 CG1 VAL A 65 2.547 14.995 -31.610 1.00 0.00 C ATOM 957 CG2 VAL A 65 3.152 12.533 -31.254 1.00 0.00 C ATOM 0 H VAL A 65 2.571 12.789 -33.991 1.00 0.00 H new ATOM 0 HA VAL A 65 4.657 14.815 -33.471 1.00 0.00 H new ATOM 0 HB VAL A 65 4.479 14.211 -31.102 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.180 15.012 -30.584 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.959 15.972 -31.865 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.724 14.761 -32.285 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.769 12.625 -30.238 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.358 12.178 -31.910 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.978 11.822 -31.267 1.00 0.00 H new ATOM 967 N LYS A 66 5.123 11.725 -34.120 1.00 0.00 N ATOM 968 CA LYS A 66 6.040 10.561 -34.217 1.00 0.00 C ATOM 969 C LYS A 66 7.394 10.988 -34.813 1.00 0.00 C ATOM 970 O LYS A 66 7.443 11.505 -35.930 1.00 0.00 O ATOM 971 CB LYS A 66 5.362 9.437 -35.067 1.00 0.00 C ATOM 972 CG LYS A 66 6.106 8.064 -35.147 1.00 0.00 C ATOM 973 CD LYS A 66 7.248 7.998 -36.194 1.00 0.00 C ATOM 974 CE LYS A 66 6.766 8.285 -37.626 1.00 0.00 C ATOM 975 NZ LYS A 66 7.884 8.281 -38.600 1.00 0.00 N ATOM 0 H LYS A 66 4.310 11.654 -34.732 1.00 0.00 H new ATOM 0 HA LYS A 66 6.238 10.167 -33.220 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.366 9.260 -34.662 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.231 9.812 -36.082 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.520 7.834 -34.165 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.378 7.286 -35.376 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.022 8.717 -35.926 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.707 7.010 -36.162 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.029 7.537 -37.917 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.265 9.253 -37.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.516 8.478 -39.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.575 9.012 -38.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.346 7.349 -38.594 1.00 0.00 H new ATOM 989 N GLY A 67 8.479 10.740 -34.058 1.00 0.00 N ATOM 990 CA GLY A 67 9.844 11.102 -34.467 1.00 0.00 C ATOM 991 C GLY A 67 10.365 12.313 -33.705 1.00 0.00 C ATOM 992 O GLY A 67 11.575 12.460 -33.499 1.00 0.00 O ATOM 0 H GLY A 67 8.432 10.283 -33.147 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.509 10.255 -34.300 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.858 11.313 -35.536 1.00 0.00 H new ATOM 996 N ARG A 68 9.430 13.184 -33.288 1.00 0.00 N ATOM 997 CA ARG A 68 9.722 14.351 -32.439 1.00 0.00 C ATOM 998 C ARG A 68 9.616 13.903 -30.969 1.00 0.00 C ATOM 999 O ARG A 68 10.519 14.107 -30.159 1.00 0.00 O ATOM 1000 CB ARG A 68 8.713 15.514 -32.720 1.00 0.00 C ATOM 1001 CG ARG A 68 8.220 15.646 -34.177 1.00 0.00 C ATOM 1002 CD ARG A 68 7.299 16.872 -34.395 1.00 0.00 C ATOM 1003 NE ARG A 68 6.260 17.025 -33.346 1.00 0.00 N ATOM 1004 CZ ARG A 68 5.078 17.647 -33.505 1.00 0.00 C ATOM 1005 NH1 ARG A 68 4.684 18.082 -34.699 1.00 0.00 N ATOM 1006 NH2 ARG A 68 4.275 17.809 -32.463 1.00 0.00 N ATOM 0 H ARG A 68 8.444 13.097 -33.533 1.00 0.00 H new ATOM 0 HA ARG A 68 10.723 14.725 -32.656 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.845 15.379 -32.075 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.183 16.454 -32.430 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.081 15.723 -34.841 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.682 14.740 -34.456 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.910 17.774 -34.425 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.813 16.783 -35.367 1.00 0.00 H new ATOM 0 HE ARG A 68 6.459 16.625 -32.429 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.282 17.946 -35.514 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.784 18.551 -34.799 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.554 17.463 -31.545 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.378 18.280 -32.579 1.00 0.00 H new ATOM 1020 N PHE A 69 8.464 13.294 -30.656 1.00 0.00 N ATOM 1021 CA PHE A 69 8.141 12.754 -29.332 1.00 0.00 C ATOM 1022 C PHE A 69 8.576 11.274 -29.281 1.00 0.00 C ATOM 1023 O PHE A 69 8.295 10.502 -30.210 1.00 0.00 O ATOM 1024 CB PHE A 69 6.613 12.883 -29.046 1.00 0.00 C ATOM 1025 CG PHE A 69 6.049 14.312 -28.893 1.00 0.00 C ATOM 1026 CD1 PHE A 69 5.002 14.572 -27.995 1.00 0.00 C ATOM 1027 CD2 PHE A 69 6.535 15.390 -29.642 1.00 0.00 C ATOM 1028 CE1 PHE A 69 4.473 15.846 -27.859 1.00 0.00 C ATOM 1029 CE2 PHE A 69 6.007 16.665 -29.500 1.00 0.00 C ATOM 1030 CZ PHE A 69 4.977 16.890 -28.609 1.00 0.00 C ATOM 0 H PHE A 69 7.714 13.161 -31.334 1.00 0.00 H new ATOM 0 HA PHE A 69 8.673 13.320 -28.567 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.074 12.390 -29.855 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.391 12.331 -28.133 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.601 13.765 -27.399 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.338 15.226 -30.345 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.665 16.022 -27.165 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.402 17.481 -30.086 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.565 17.882 -28.499 1.00 0.00 H new ATOM 1040 N THR A 70 9.289 10.907 -28.213 1.00 0.00 N ATOM 1041 CA THR A 70 9.806 9.549 -27.984 1.00 0.00 C ATOM 1042 C THR A 70 9.661 9.218 -26.487 1.00 0.00 C ATOM 1043 O THR A 70 9.693 10.128 -25.649 1.00 0.00 O ATOM 1044 CB THR A 70 11.314 9.447 -28.424 1.00 0.00 C ATOM 1045 OG1 THR A 70 11.472 9.949 -29.766 1.00 0.00 O ATOM 1046 CG2 THR A 70 11.841 7.998 -28.376 1.00 0.00 C ATOM 0 H THR A 70 9.530 11.558 -27.465 1.00 0.00 H new ATOM 0 HA THR A 70 9.237 8.835 -28.580 1.00 0.00 H new ATOM 0 HB THR A 70 11.890 10.046 -27.718 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.413 9.883 -30.031 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.885 7.980 -28.688 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.760 7.615 -27.359 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.251 7.374 -29.047 1.00 0.00 H new ATOM 1054 N ILE A 71 9.479 7.929 -26.152 1.00 0.00 N ATOM 1055 CA ILE A 71 9.367 7.466 -24.754 1.00 0.00 C ATOM 1056 C ILE A 71 10.428 6.399 -24.455 1.00 0.00 C ATOM 1057 O ILE A 71 10.791 5.604 -25.331 1.00 0.00 O ATOM 1058 CB ILE A 71 7.929 6.933 -24.373 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.432 5.744 -25.274 1.00 0.00 C ATOM 1060 CG2 ILE A 71 6.908 8.086 -24.360 1.00 0.00 C ATOM 1061 CD1 ILE A 71 7.018 6.090 -26.696 1.00 0.00 C ATOM 0 H ILE A 71 9.405 7.179 -26.839 1.00 0.00 H new ATOM 0 HA ILE A 71 9.541 8.343 -24.131 1.00 0.00 H new ATOM 0 HB ILE A 71 8.015 6.521 -23.367 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.226 4.999 -25.323 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.583 5.273 -24.778 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.924 7.698 -24.095 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.212 8.833 -23.627 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.864 8.544 -25.348 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.696 5.185 -27.212 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.196 6.806 -26.672 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.865 6.528 -27.225 1.00 0.00 H new ATOM 1073 N SER A 72 10.953 6.428 -23.218 1.00 0.00 N ATOM 1074 CA SER A 72 11.993 5.506 -22.743 1.00 0.00 C ATOM 1075 C SER A 72 11.738 5.182 -21.262 1.00 0.00 C ATOM 1076 O SER A 72 11.478 6.090 -20.476 1.00 0.00 O ATOM 1077 CB SER A 72 13.389 6.154 -22.902 1.00 0.00 C ATOM 1078 OG SER A 72 13.662 6.507 -24.254 1.00 0.00 O ATOM 0 H SER A 72 10.661 7.103 -22.512 1.00 0.00 H new ATOM 0 HA SER A 72 11.962 4.589 -23.332 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.449 7.044 -22.276 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.153 5.462 -22.547 1.00 0.00 H new ATOM 0 HG SER A 72 14.551 6.914 -24.313 1.00 0.00 H new ATOM 1084 N ARG A 73 11.823 3.901 -20.883 1.00 0.00 N ATOM 1085 CA ARG A 73 11.714 3.470 -19.476 1.00 0.00 C ATOM 1086 C ARG A 73 13.062 2.933 -18.976 1.00 0.00 C ATOM 1087 O ARG A 73 13.635 2.026 -19.584 1.00 0.00 O ATOM 1088 CB ARG A 73 10.616 2.390 -19.313 1.00 0.00 C ATOM 1089 CG ARG A 73 10.545 1.765 -17.898 1.00 0.00 C ATOM 1090 CD ARG A 73 9.390 0.769 -17.729 1.00 0.00 C ATOM 1091 NE ARG A 73 9.498 0.037 -16.449 1.00 0.00 N ATOM 1092 CZ ARG A 73 8.477 -0.468 -15.746 1.00 0.00 C ATOM 1093 NH1 ARG A 73 7.217 -0.338 -16.159 1.00 0.00 N ATOM 1094 NH2 ARG A 73 8.723 -1.120 -14.623 1.00 0.00 N ATOM 0 H ARG A 73 11.969 3.133 -21.538 1.00 0.00 H new ATOM 0 HA ARG A 73 11.435 4.336 -18.876 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.649 2.832 -19.551 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.792 1.597 -20.040 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.486 1.258 -17.685 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.439 2.562 -17.162 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.439 1.301 -17.768 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.393 0.061 -18.557 1.00 0.00 H new ATOM 0 HE ARG A 73 10.435 -0.095 -16.067 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.014 0.155 -17.028 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.456 -0.732 -15.606 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.684 -1.234 -14.300 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.952 -1.509 -14.080 1.00 0.00 H new ATOM 1108 N ASP A 74 13.553 3.504 -17.869 1.00 0.00 N ATOM 1109 CA ASP A 74 14.707 2.985 -17.123 1.00 0.00 C ATOM 1110 C ASP A 74 14.184 2.270 -15.871 1.00 0.00 C ATOM 1111 O ASP A 74 13.908 2.909 -14.848 1.00 0.00 O ATOM 1112 CB ASP A 74 15.691 4.132 -16.755 1.00 0.00 C ATOM 1113 CG ASP A 74 16.317 4.811 -17.992 1.00 0.00 C ATOM 1114 OD1 ASP A 74 16.151 6.031 -18.174 1.00 0.00 O ATOM 1115 OD2 ASP A 74 16.979 4.118 -18.791 1.00 0.00 O ATOM 0 H ASP A 74 13.155 4.350 -17.461 1.00 0.00 H new ATOM 0 HA ASP A 74 15.265 2.280 -17.739 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.163 4.881 -16.165 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.486 3.733 -16.125 1.00 0.00 H new ATOM 1120 N ASN A 75 14.010 0.942 -15.983 1.00 0.00 N ATOM 1121 CA ASN A 75 13.394 0.099 -14.931 1.00 0.00 C ATOM 1122 C ASN A 75 14.262 0.050 -13.645 1.00 0.00 C ATOM 1123 O ASN A 75 13.741 -0.148 -12.542 1.00 0.00 O ATOM 1124 CB ASN A 75 13.171 -1.340 -15.484 1.00 0.00 C ATOM 1125 CG ASN A 75 12.360 -2.248 -14.554 1.00 0.00 C ATOM 1126 OD1 ASN A 75 11.435 -1.793 -13.880 1.00 0.00 O ATOM 1127 ND2 ASN A 75 12.697 -3.532 -14.508 1.00 0.00 N ATOM 0 H ASN A 75 14.293 0.415 -16.809 1.00 0.00 H new ATOM 0 HA ASN A 75 12.437 0.544 -14.659 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.661 -1.274 -16.445 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.141 -1.801 -15.669 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.184 -4.172 -13.902 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.468 -3.878 -15.079 1.00 0.00 H new ATOM 1134 N ALA A 76 15.586 0.259 -13.809 1.00 0.00 N ATOM 1135 CA ALA A 76 16.569 0.211 -12.701 1.00 0.00 C ATOM 1136 C ALA A 76 16.277 1.270 -11.612 1.00 0.00 C ATOM 1137 O ALA A 76 16.525 1.040 -10.421 1.00 0.00 O ATOM 1138 CB ALA A 76 17.991 0.385 -13.260 1.00 0.00 C ATOM 0 H ALA A 76 16.006 0.466 -14.715 1.00 0.00 H new ATOM 0 HA ALA A 76 16.484 -0.765 -12.223 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.710 0.349 -12.442 1.00 0.00 H new ATOM 0 HB2 ALA A 76 18.205 -0.417 -13.967 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.067 1.346 -13.768 1.00 0.00 H new ATOM 1144 N LYS A 77 15.752 2.432 -12.042 1.00 0.00 N ATOM 1145 CA LYS A 77 15.333 3.530 -11.134 1.00 0.00 C ATOM 1146 C LYS A 77 13.821 3.807 -11.281 1.00 0.00 C ATOM 1147 O LYS A 77 13.315 4.783 -10.720 1.00 0.00 O ATOM 1148 CB LYS A 77 16.186 4.837 -11.352 1.00 0.00 C ATOM 1149 CG LYS A 77 16.749 5.077 -12.780 1.00 0.00 C ATOM 1150 CD LYS A 77 18.043 4.264 -13.063 1.00 0.00 C ATOM 1151 CE LYS A 77 18.657 4.558 -14.441 1.00 0.00 C ATOM 1152 NZ LYS A 77 19.093 5.976 -14.579 1.00 0.00 N ATOM 0 H LYS A 77 15.604 2.642 -13.029 1.00 0.00 H new ATOM 0 HA LYS A 77 15.522 3.204 -10.111 1.00 0.00 H new ATOM 0 HB2 LYS A 77 15.569 5.694 -11.082 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.024 4.815 -10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.989 4.809 -13.515 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.957 6.139 -12.910 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.779 4.486 -12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.818 3.200 -12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 77 19.512 3.901 -14.602 1.00 0.00 H new ATOM 0 HE3 LYS A 77 17.927 4.328 -15.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 19.606 6.096 -15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 18.259 6.598 -14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 19.719 6.225 -13.787 1.00 0.00 H new ATOM 1166 N ASN A 78 13.127 2.927 -12.043 1.00 0.00 N ATOM 1167 CA ASN A 78 11.654 2.950 -12.238 1.00 0.00 C ATOM 1168 C ASN A 78 11.142 4.302 -12.776 1.00 0.00 C ATOM 1169 O ASN A 78 9.988 4.673 -12.548 1.00 0.00 O ATOM 1170 CB ASN A 78 10.929 2.554 -10.919 1.00 0.00 C ATOM 1171 CG ASN A 78 11.206 1.109 -10.506 1.00 0.00 C ATOM 1172 OD1 ASN A 78 10.489 0.198 -10.908 1.00 0.00 O ATOM 1173 ND2 ASN A 78 12.246 0.896 -9.708 1.00 0.00 N ATOM 0 H ASN A 78 13.582 2.167 -12.549 1.00 0.00 H new ATOM 0 HA ASN A 78 11.419 2.212 -13.005 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.246 3.223 -10.119 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.855 2.693 -11.044 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.473 -0.052 -9.408 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.818 1.680 -9.395 1.00 0.00 H new ATOM 1180 N THR A 79 11.980 4.990 -13.564 1.00 0.00 N ATOM 1181 CA THR A 79 11.662 6.327 -14.083 1.00 0.00 C ATOM 1182 C THR A 79 11.450 6.250 -15.602 1.00 0.00 C ATOM 1183 O THR A 79 12.273 5.682 -16.326 1.00 0.00 O ATOM 1184 CB THR A 79 12.809 7.343 -13.749 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.071 7.329 -12.330 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.460 8.783 -14.191 1.00 0.00 C ATOM 0 H THR A 79 12.891 4.638 -13.858 1.00 0.00 H new ATOM 0 HA THR A 79 10.748 6.680 -13.606 1.00 0.00 H new ATOM 0 HB THR A 79 13.695 7.030 -14.302 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.266 6.413 -12.042 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.284 9.451 -13.939 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.293 8.803 -15.268 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.556 9.112 -13.678 1.00 0.00 H new ATOM 1194 N VAL A 80 10.332 6.831 -16.062 1.00 0.00 N ATOM 1195 CA VAL A 80 9.947 6.861 -17.479 1.00 0.00 C ATOM 1196 C VAL A 80 10.028 8.305 -17.979 1.00 0.00 C ATOM 1197 O VAL A 80 9.638 9.234 -17.276 1.00 0.00 O ATOM 1198 CB VAL A 80 8.494 6.296 -17.698 1.00 0.00 C ATOM 1199 CG1 VAL A 80 8.102 6.272 -19.201 1.00 0.00 C ATOM 1200 CG2 VAL A 80 8.358 4.893 -17.067 1.00 0.00 C ATOM 0 H VAL A 80 9.662 7.299 -15.452 1.00 0.00 H new ATOM 0 HA VAL A 80 10.632 6.226 -18.041 1.00 0.00 H new ATOM 0 HB VAL A 80 7.799 6.970 -17.197 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.092 5.875 -19.307 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.138 7.285 -19.603 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.800 5.639 -19.749 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.347 4.518 -17.228 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.075 4.215 -17.530 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.556 4.955 -15.997 1.00 0.00 H new ATOM 1210 N TYR A 81 10.540 8.479 -19.192 1.00 0.00 N ATOM 1211 CA TYR A 81 10.763 9.789 -19.803 1.00 0.00 C ATOM 1212 C TYR A 81 9.907 9.933 -21.062 1.00 0.00 C ATOM 1213 O TYR A 81 9.759 8.979 -21.829 1.00 0.00 O ATOM 1214 CB TYR A 81 12.258 9.952 -20.162 1.00 0.00 C ATOM 1215 CG TYR A 81 13.197 9.942 -18.948 1.00 0.00 C ATOM 1216 CD1 TYR A 81 13.527 11.123 -18.285 1.00 0.00 C ATOM 1217 CD2 TYR A 81 13.756 8.756 -18.471 1.00 0.00 C ATOM 1218 CE1 TYR A 81 14.376 11.126 -17.195 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.600 8.758 -17.382 1.00 0.00 C ATOM 1220 CZ TYR A 81 14.909 9.943 -16.749 1.00 0.00 C ATOM 1221 OH TYR A 81 15.755 9.936 -15.658 1.00 0.00 O ATOM 0 H TYR A 81 10.817 7.701 -19.791 1.00 0.00 H new ATOM 0 HA TYR A 81 10.479 10.565 -19.092 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.548 9.149 -20.839 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.391 10.889 -20.703 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.110 12.057 -18.631 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.524 7.823 -18.963 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.618 12.053 -16.697 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.020 7.830 -17.024 1.00 0.00 H new ATOM 0 HH TYR A 81 16.042 9.018 -15.473 1.00 0.00 H new ATOM 1231 N LEU A 82 9.337 11.130 -21.246 1.00 0.00 N ATOM 1232 CA LEU A 82 8.707 11.540 -22.503 1.00 0.00 C ATOM 1233 C LEU A 82 9.548 12.683 -23.083 1.00 0.00 C ATOM 1234 O LEU A 82 9.425 13.834 -22.664 1.00 0.00 O ATOM 1235 CB LEU A 82 7.240 11.979 -22.250 1.00 0.00 C ATOM 1236 CG LEU A 82 6.459 12.580 -23.460 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.355 11.600 -24.644 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.068 13.069 -23.016 1.00 0.00 C ATOM 0 H LEU A 82 9.301 11.845 -20.520 1.00 0.00 H new ATOM 0 HA LEU A 82 8.670 10.714 -23.213 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.686 11.114 -21.886 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.241 12.717 -21.448 1.00 0.00 H new ATOM 0 HG LEU A 82 7.031 13.436 -23.819 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.802 12.070 -25.458 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.355 11.338 -24.989 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.834 10.698 -24.325 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.538 13.485 -23.873 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.501 12.232 -22.610 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.180 13.837 -22.251 1.00 0.00 H new ATOM 1250 N GLN A 83 10.437 12.338 -24.022 1.00 0.00 N ATOM 1251 CA GLN A 83 11.294 13.307 -24.706 1.00 0.00 C ATOM 1252 C GLN A 83 10.518 13.918 -25.872 1.00 0.00 C ATOM 1253 O GLN A 83 10.362 13.297 -26.924 1.00 0.00 O ATOM 1254 CB GLN A 83 12.605 12.629 -25.196 1.00 0.00 C ATOM 1255 CG GLN A 83 13.576 13.553 -25.973 1.00 0.00 C ATOM 1256 CD GLN A 83 13.997 14.802 -25.188 1.00 0.00 C ATOM 1257 OE1 GLN A 83 14.965 14.771 -24.436 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.269 15.906 -25.354 1.00 0.00 N ATOM 0 H GLN A 83 10.581 11.376 -24.328 1.00 0.00 H new ATOM 0 HA GLN A 83 11.578 14.099 -24.013 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.130 12.222 -24.331 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.342 11.786 -25.835 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.467 12.986 -26.242 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.102 13.862 -26.905 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.469 15.899 -25.987 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.512 16.758 -24.848 1.00 0.00 H new ATOM 1267 N MET A 84 10.002 15.128 -25.657 1.00 0.00 N ATOM 1268 CA MET A 84 9.286 15.884 -26.686 1.00 0.00 C ATOM 1269 C MET A 84 10.277 16.820 -27.385 1.00 0.00 C ATOM 1270 O MET A 84 10.996 17.562 -26.718 1.00 0.00 O ATOM 1271 CB MET A 84 8.126 16.696 -26.056 1.00 0.00 C ATOM 1272 CG MET A 84 7.172 15.894 -25.166 1.00 0.00 C ATOM 1273 SD MET A 84 5.667 16.810 -24.742 1.00 0.00 S ATOM 1274 CE MET A 84 6.283 18.338 -24.019 1.00 0.00 C ATOM 0 H MET A 84 10.069 15.613 -24.762 1.00 0.00 H new ATOM 0 HA MET A 84 8.855 15.196 -27.413 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.552 17.507 -25.465 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.548 17.155 -26.858 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.898 14.970 -25.676 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.690 15.611 -24.249 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.676 18.601 -23.153 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.319 18.202 -23.708 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.228 19.138 -24.757 1.00 0.00 H new ATOM 1284 N ASN A 85 10.348 16.748 -28.718 1.00 0.00 N ATOM 1285 CA ASN A 85 11.195 17.641 -29.541 1.00 0.00 C ATOM 1286 C ASN A 85 10.298 18.363 -30.553 1.00 0.00 C ATOM 1287 O ASN A 85 9.126 17.981 -30.723 1.00 0.00 O ATOM 1288 CB ASN A 85 12.298 16.823 -30.276 1.00 0.00 C ATOM 1289 CG ASN A 85 13.466 17.680 -30.786 1.00 0.00 C ATOM 1290 OD1 ASN A 85 14.422 17.935 -30.064 1.00 0.00 O ATOM 1291 ND2 ASN A 85 13.400 18.128 -32.032 1.00 0.00 N ATOM 0 H ASN A 85 9.820 16.069 -29.266 1.00 0.00 H new ATOM 0 HA ASN A 85 11.693 18.370 -28.902 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.686 16.062 -29.598 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.848 16.299 -31.119 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.156 18.699 -32.409 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.593 17.902 -32.613 1.00 0.00 H new ATOM 1298 N SER A 86 10.850 19.410 -31.204 1.00 0.00 N ATOM 1299 CA SER A 86 10.178 20.138 -32.303 1.00 0.00 C ATOM 1300 C SER A 86 8.824 20.702 -31.826 1.00 0.00 C ATOM 1301 O SER A 86 7.822 20.676 -32.557 1.00 0.00 O ATOM 1302 CB SER A 86 10.010 19.202 -33.528 1.00 0.00 C ATOM 1303 OG SER A 86 11.230 18.556 -33.862 1.00 0.00 O ATOM 0 H SER A 86 11.776 19.775 -30.982 1.00 0.00 H new ATOM 0 HA SER A 86 10.795 20.984 -32.607 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.248 18.453 -33.313 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.657 19.779 -34.383 1.00 0.00 H new ATOM 0 HG SER A 86 11.090 17.972 -34.637 1.00 0.00 H new ATOM 1309 N LEU A 87 8.844 21.209 -30.581 1.00 0.00 N ATOM 1310 CA LEU A 87 7.644 21.614 -29.835 1.00 0.00 C ATOM 1311 C LEU A 87 6.812 22.660 -30.580 1.00 0.00 C ATOM 1312 O LEU A 87 7.339 23.521 -31.290 1.00 0.00 O ATOM 1313 CB LEU A 87 8.044 22.124 -28.431 1.00 0.00 C ATOM 1314 CG LEU A 87 8.526 21.021 -27.444 1.00 0.00 C ATOM 1315 CD1 LEU A 87 9.064 21.625 -26.136 1.00 0.00 C ATOM 1316 CD2 LEU A 87 7.392 20.011 -27.173 1.00 0.00 C ATOM 0 H LEU A 87 9.709 21.350 -30.059 1.00 0.00 H new ATOM 0 HA LEU A 87 7.010 20.733 -29.732 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.837 22.863 -28.542 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.189 22.637 -27.990 1.00 0.00 H new ATOM 0 HG LEU A 87 9.354 20.489 -27.911 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.391 20.824 -25.473 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.907 22.280 -26.357 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.276 22.200 -25.650 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.744 19.246 -26.481 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.539 20.530 -26.736 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.091 19.542 -28.110 1.00 0.00 H new ATOM 1328 N LYS A 88 5.504 22.525 -30.448 1.00 0.00 N ATOM 1329 CA LYS A 88 4.532 23.446 -31.015 1.00 0.00 C ATOM 1330 C LYS A 88 3.963 24.298 -29.856 1.00 0.00 C ATOM 1331 O LYS A 88 3.940 23.826 -28.716 1.00 0.00 O ATOM 1332 CB LYS A 88 3.419 22.631 -31.742 1.00 0.00 C ATOM 1333 CG LYS A 88 3.908 21.508 -32.696 1.00 0.00 C ATOM 1334 CD LYS A 88 4.840 21.981 -33.842 1.00 0.00 C ATOM 1335 CE LYS A 88 4.136 22.765 -34.973 1.00 0.00 C ATOM 1336 NZ LYS A 88 3.652 24.116 -34.567 1.00 0.00 N ATOM 0 H LYS A 88 5.078 21.755 -29.932 1.00 0.00 H new ATOM 0 HA LYS A 88 4.985 24.109 -31.752 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.773 22.183 -30.987 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.805 23.325 -32.315 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.433 20.756 -32.108 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.038 21.020 -33.134 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.623 22.609 -33.418 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.330 21.109 -34.275 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.827 22.874 -35.809 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.289 22.181 -35.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.764 24.778 -35.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.648 24.060 -34.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.206 24.453 -33.754 1.00 0.00 H new ATOM 1350 N PRO A 89 3.516 25.573 -30.100 1.00 0.00 N ATOM 1351 CA PRO A 89 2.919 26.422 -29.033 1.00 0.00 C ATOM 1352 C PRO A 89 1.601 25.826 -28.459 1.00 0.00 C ATOM 1353 O PRO A 89 1.136 26.253 -27.398 1.00 0.00 O ATOM 1354 CB PRO A 89 2.688 27.785 -29.741 1.00 0.00 C ATOM 1355 CG PRO A 89 2.636 27.458 -31.202 1.00 0.00 C ATOM 1356 CD PRO A 89 3.588 26.298 -31.394 1.00 0.00 C ATOM 0 HA PRO A 89 3.565 26.504 -28.159 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.761 28.251 -29.407 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.494 28.485 -29.522 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.625 27.190 -31.508 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.935 28.315 -31.806 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.285 25.664 -32.227 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.601 26.641 -31.606 1.00 0.00 H new ATOM 1364 N GLU A 90 1.018 24.820 -29.173 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.166 24.058 -28.698 1.00 0.00 C ATOM 1366 C GLU A 90 0.165 23.218 -27.440 1.00 0.00 C ATOM 1367 O GLU A 90 -0.736 22.871 -26.670 1.00 0.00 O ATOM 1368 CB GLU A 90 -0.699 23.113 -29.808 1.00 0.00 C ATOM 1369 CG GLU A 90 0.233 21.920 -30.118 1.00 0.00 C ATOM 1370 CD GLU A 90 -0.285 20.994 -31.223 1.00 0.00 C ATOM 1371 OE1 GLU A 90 -0.859 19.923 -30.904 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -0.129 21.339 -32.418 1.00 0.00 O ATOM 0 H GLU A 90 1.356 24.519 -30.087 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.932 24.791 -28.443 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.674 22.730 -29.508 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.850 23.690 -30.721 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.211 22.303 -30.408 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.376 21.338 -29.208 1.00 0.00 H new ATOM 1379 N ASP A 91 1.469 22.916 -27.234 1.00 0.00 N ATOM 1380 CA ASP A 91 1.958 22.113 -26.091 1.00 0.00 C ATOM 1381 C ASP A 91 2.025 22.954 -24.787 1.00 0.00 C ATOM 1382 O ASP A 91 2.786 22.643 -23.876 1.00 0.00 O ATOM 1383 CB ASP A 91 3.337 21.478 -26.442 1.00 0.00 C ATOM 1384 CG ASP A 91 3.272 20.454 -27.594 1.00 0.00 C ATOM 1385 OD1 ASP A 91 3.624 20.795 -28.745 1.00 0.00 O ATOM 1386 OD2 ASP A 91 2.854 19.305 -27.350 1.00 0.00 O ATOM 0 H ASP A 91 2.213 23.225 -27.859 1.00 0.00 H new ATOM 0 HA ASP A 91 1.247 21.308 -25.903 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.034 22.271 -26.711 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.738 20.989 -25.555 1.00 0.00 H new ATOM 1391 N THR A 92 1.228 24.034 -24.719 1.00 0.00 N ATOM 1392 CA THR A 92 0.897 24.726 -23.466 1.00 0.00 C ATOM 1393 C THR A 92 -0.269 23.972 -22.780 1.00 0.00 C ATOM 1394 O THR A 92 -1.448 24.222 -23.075 1.00 0.00 O ATOM 1395 CB THR A 92 0.526 26.222 -23.752 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.660 26.882 -24.347 1.00 0.00 O ATOM 1397 CG2 THR A 92 0.086 26.987 -22.488 1.00 0.00 C ATOM 0 H THR A 92 0.793 24.453 -25.541 1.00 0.00 H new ATOM 0 HA THR A 92 1.758 24.730 -22.798 1.00 0.00 H new ATOM 0 HB THR A 92 -0.326 26.222 -24.432 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.623 26.781 -25.321 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.157 28.016 -22.752 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.792 26.505 -22.058 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.896 26.981 -21.759 1.00 0.00 H new ATOM 1405 N ALA A 93 0.076 23.027 -21.885 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.900 22.112 -21.252 1.00 0.00 C ATOM 1407 C ALA A 93 -0.304 21.448 -19.995 1.00 0.00 C ATOM 1408 O ALA A 93 0.793 21.791 -19.559 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.339 21.041 -22.275 1.00 0.00 C ATOM 0 H ALA A 93 1.037 22.874 -21.579 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.770 22.689 -20.939 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.058 20.367 -21.810 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.801 21.527 -23.135 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.469 20.473 -22.603 1.00 0.00 H new ATOM 1415 N VAL A 94 -1.053 20.513 -19.392 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.551 19.668 -18.303 1.00 0.00 C ATOM 1417 C VAL A 94 -0.347 18.234 -18.821 1.00 0.00 C ATOM 1418 O VAL A 94 -1.310 17.553 -19.189 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.500 19.703 -17.035 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.983 19.390 -17.371 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.968 18.778 -15.913 1.00 0.00 C ATOM 0 H VAL A 94 -2.022 20.323 -19.646 1.00 0.00 H new ATOM 0 HA VAL A 94 0.409 20.065 -17.972 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.484 20.730 -16.670 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.579 19.430 -16.459 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.358 20.126 -18.082 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.055 18.394 -17.808 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.640 18.823 -15.056 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.916 17.753 -16.280 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.027 19.106 -15.612 1.00 0.00 H new ATOM 1431 N TYR A 95 0.922 17.800 -18.901 1.00 0.00 N ATOM 1432 CA TYR A 95 1.259 16.401 -19.166 1.00 0.00 C ATOM 1433 C TYR A 95 1.253 15.653 -17.835 1.00 0.00 C ATOM 1434 O TYR A 95 2.104 15.880 -16.977 1.00 0.00 O ATOM 1435 CB TYR A 95 2.625 16.264 -19.886 1.00 0.00 C ATOM 1436 CG TYR A 95 2.550 16.493 -21.407 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.547 15.420 -22.305 1.00 0.00 C ATOM 1438 CD2 TYR A 95 2.475 17.774 -21.946 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.479 15.625 -23.672 1.00 0.00 C ATOM 1440 CE2 TYR A 95 2.406 17.980 -23.317 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.411 16.903 -24.171 1.00 0.00 C ATOM 1442 OH TYR A 95 2.337 17.104 -25.532 1.00 0.00 O ATOM 0 H TYR A 95 1.733 18.407 -18.784 1.00 0.00 H new ATOM 0 HA TYR A 95 0.519 15.969 -19.839 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.326 16.978 -19.454 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.027 15.269 -19.697 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.599 14.411 -21.923 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.470 18.627 -21.283 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.479 14.781 -24.346 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.349 18.984 -23.712 1.00 0.00 H new ATOM 0 HH TYR A 95 2.608 18.022 -25.742 1.00 0.00 H new ATOM 1452 N LEU A 96 0.242 14.810 -17.663 1.00 0.00 N ATOM 1453 CA LEU A 96 0.024 14.038 -16.448 1.00 0.00 C ATOM 1454 C LEU A 96 0.245 12.557 -16.741 1.00 0.00 C ATOM 1455 O LEU A 96 -0.147 12.049 -17.803 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.398 14.351 -15.894 1.00 0.00 C ATOM 1457 CG LEU A 96 -2.605 14.191 -16.897 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -3.236 12.776 -16.865 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -3.673 15.288 -16.681 1.00 0.00 C ATOM 0 H LEU A 96 -0.463 14.641 -18.380 1.00 0.00 H new ATOM 0 HA LEU A 96 0.738 14.315 -15.673 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.579 13.701 -15.038 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.399 15.376 -15.522 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.188 14.319 -17.896 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.061 12.729 -17.576 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.483 12.035 -17.134 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.609 12.567 -15.863 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.489 15.146 -17.389 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.060 15.224 -15.664 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.224 16.269 -16.837 1.00 0.00 H new ATOM 1471 N CYS A 97 0.908 11.877 -15.812 1.00 0.00 N ATOM 1472 CA CYS A 97 1.140 10.439 -15.899 1.00 0.00 C ATOM 1473 C CYS A 97 0.000 9.708 -15.196 1.00 0.00 C ATOM 1474 O CYS A 97 -0.475 10.138 -14.133 1.00 0.00 O ATOM 1475 CB CYS A 97 2.492 10.083 -15.269 1.00 0.00 C ATOM 1476 SG CYS A 97 3.860 11.041 -15.943 1.00 0.00 S ATOM 0 H CYS A 97 1.301 12.308 -14.975 1.00 0.00 H new ATOM 0 HA CYS A 97 1.167 10.131 -16.944 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.438 10.245 -14.192 1.00 0.00 H new ATOM 0 HB3 CYS A 97 2.689 9.022 -15.422 1.00 0.00 H new ATOM 0 HG CYS A 97 3.716 11.157 -17.230 1.00 0.00 H new ATOM 1482 N ALA A 98 -0.445 8.614 -15.807 1.00 0.00 N ATOM 1483 CA ALA A 98 -1.561 7.815 -15.318 1.00 0.00 C ATOM 1484 C ALA A 98 -1.177 6.339 -15.363 1.00 0.00 C ATOM 1485 O ALA A 98 -0.945 5.792 -16.435 1.00 0.00 O ATOM 1486 CB ALA A 98 -2.796 8.100 -16.170 1.00 0.00 C ATOM 0 H ALA A 98 -0.034 8.254 -16.668 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.795 8.075 -14.286 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.634 7.504 -15.807 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.048 9.158 -16.103 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.589 7.841 -17.208 1.00 0.00 H new ATOM 1492 N ALA A 99 -1.127 5.700 -14.194 1.00 0.00 N ATOM 1493 CA ALA A 99 -0.648 4.324 -14.055 1.00 0.00 C ATOM 1494 C ALA A 99 -1.794 3.401 -13.674 1.00 0.00 C ATOM 1495 O ALA A 99 -2.768 3.829 -13.063 1.00 0.00 O ATOM 1496 CB ALA A 99 0.468 4.263 -13.002 1.00 0.00 C ATOM 0 H ALA A 99 -1.419 6.124 -13.313 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.245 3.991 -15.011 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.820 3.236 -12.904 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.295 4.902 -13.311 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.082 4.608 -12.043 1.00 0.00 H new ATOM 1502 N GLY A 100 -1.664 2.133 -14.046 1.00 0.00 N ATOM 1503 CA GLY A 100 -2.640 1.110 -13.700 1.00 0.00 C ATOM 1504 C GLY A 100 -1.964 -0.162 -13.236 1.00 0.00 C ATOM 1505 O GLY A 100 -0.855 -0.481 -13.693 1.00 0.00 O ATOM 0 H GLY A 100 -0.878 1.786 -14.596 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.297 1.482 -12.914 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.268 0.896 -14.565 1.00 0.00 H new ATOM 1652 N PRO A 110 -5.747 4.207 -17.296 1.00 0.00 N ATOM 1653 CA PRO A 110 -5.521 5.232 -16.251 1.00 0.00 C ATOM 1654 C PRO A 110 -6.387 4.962 -14.997 1.00 0.00 C ATOM 1655 O PRO A 110 -7.573 5.309 -14.955 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.903 6.560 -16.963 1.00 0.00 C ATOM 1657 CG PRO A 110 -6.859 6.153 -18.042 1.00 0.00 C ATOM 1658 CD PRO A 110 -6.378 4.799 -18.509 1.00 0.00 C ATOM 0 HA PRO A 110 -4.498 5.245 -15.874 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.365 7.262 -16.269 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.024 7.053 -17.378 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.880 6.099 -17.664 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.860 6.874 -18.860 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.203 4.185 -18.871 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.664 4.889 -19.328 1.00 0.00 H new ATOM 1666 N ASP A 111 -5.795 4.276 -14.006 1.00 0.00 N ATOM 1667 CA ASP A 111 -6.476 3.952 -12.737 1.00 0.00 C ATOM 1668 C ASP A 111 -6.092 4.982 -11.666 1.00 0.00 C ATOM 1669 O ASP A 111 -6.946 5.525 -10.963 1.00 0.00 O ATOM 1670 CB ASP A 111 -6.108 2.518 -12.278 1.00 0.00 C ATOM 1671 CG ASP A 111 -6.977 2.031 -11.098 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -8.043 1.429 -11.344 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -6.614 2.261 -9.930 1.00 0.00 O ATOM 0 H ASP A 111 -4.837 3.931 -14.059 1.00 0.00 H new ATOM 0 HA ASP A 111 -7.555 3.991 -12.890 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -6.223 1.831 -13.117 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.058 2.492 -11.986 1.00 0.00 H new ATOM 1678 N TYR A 112 -4.788 5.229 -11.570 1.00 0.00 N ATOM 1679 CA TYR A 112 -4.189 6.219 -10.668 1.00 0.00 C ATOM 1680 C TYR A 112 -3.626 7.361 -11.510 1.00 0.00 C ATOM 1681 O TYR A 112 -3.126 7.130 -12.611 1.00 0.00 O ATOM 1682 CB TYR A 112 -3.039 5.584 -9.838 1.00 0.00 C ATOM 1683 CG TYR A 112 -3.485 4.442 -8.921 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -3.281 3.102 -9.269 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -4.122 4.709 -7.706 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -3.706 2.078 -8.441 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -4.541 3.690 -6.877 1.00 0.00 C ATOM 1688 CZ TYR A 112 -4.334 2.378 -7.246 1.00 0.00 C ATOM 1689 OH TYR A 112 -4.781 1.363 -6.423 1.00 0.00 O ATOM 0 H TYR A 112 -4.096 4.734 -12.132 1.00 0.00 H new ATOM 0 HA TYR A 112 -4.952 6.584 -9.980 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.276 5.210 -10.521 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -2.571 6.360 -9.232 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.784 2.863 -10.198 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -4.289 5.734 -7.410 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.548 1.049 -8.727 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -5.030 3.919 -5.942 1.00 0.00 H new ATOM 0 HH TYR A 112 -5.197 1.749 -5.624 1.00 0.00 H new ATOM 1699 N TRP A 113 -3.720 8.592 -10.994 1.00 0.00 N ATOM 1700 CA TRP A 113 -3.156 9.790 -11.646 1.00 0.00 C ATOM 1701 C TRP A 113 -2.144 10.450 -10.702 1.00 0.00 C ATOM 1702 O TRP A 113 -2.388 10.538 -9.488 1.00 0.00 O ATOM 1703 CB TRP A 113 -4.295 10.770 -12.049 1.00 0.00 C ATOM 1704 CG TRP A 113 -5.222 10.200 -13.104 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -5.049 10.243 -14.459 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -6.453 9.489 -12.885 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -6.079 9.599 -15.089 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -6.954 9.131 -14.147 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -7.173 9.120 -11.744 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -8.136 8.419 -14.302 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -8.352 8.417 -11.901 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -8.824 8.072 -13.171 1.00 0.00 C ATOM 0 H TRP A 113 -4.190 8.791 -10.111 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.636 9.505 -12.560 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.876 11.027 -11.163 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.856 11.695 -12.421 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -4.218 10.717 -14.961 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.178 9.486 -16.098 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.814 9.380 -10.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.500 8.148 -15.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -8.919 8.129 -11.028 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -9.749 7.521 -13.261 1.00 0.00 H new ATOM 1723 N GLY A 114 -1.002 10.892 -11.261 1.00 0.00 N ATOM 1724 CA GLY A 114 0.085 11.472 -10.471 1.00 0.00 C ATOM 1725 C GLY A 114 -0.180 12.914 -10.055 1.00 0.00 C ATOM 1726 O GLY A 114 -1.298 13.260 -9.653 1.00 0.00 O ATOM 0 H GLY A 114 -0.814 10.855 -12.263 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.241 10.866 -9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.008 11.431 -11.049 1.00 0.00 H new ATOM 1730 N GLN A 115 0.848 13.762 -10.166 1.00 0.00 N ATOM 1731 CA GLN A 115 0.768 15.182 -9.768 1.00 0.00 C ATOM 1732 C GLN A 115 0.427 16.066 -10.981 1.00 0.00 C ATOM 1733 O GLN A 115 -0.256 17.091 -10.837 1.00 0.00 O ATOM 1734 CB GLN A 115 2.091 15.629 -9.090 1.00 0.00 C ATOM 1735 CG GLN A 115 3.357 15.363 -9.921 1.00 0.00 C ATOM 1736 CD GLN A 115 4.648 15.640 -9.157 1.00 0.00 C ATOM 1737 OE1 GLN A 115 5.177 14.763 -8.478 1.00 0.00 O ATOM 1738 NE2 GLN A 115 5.179 16.836 -9.276 1.00 0.00 N ATOM 0 H GLN A 115 1.760 13.489 -10.533 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.035 15.298 -9.040 1.00 0.00 H new ATOM 0 HB2 GLN A 115 2.031 16.696 -8.874 1.00 0.00 H new ATOM 0 HB3 GLN A 115 2.185 15.115 -8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.354 14.325 -10.252 1.00 0.00 H new ATOM 0 HG3 GLN A 115 3.333 15.984 -10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 115 4.717 17.544 -9.847 1.00 0.00 H new ATOM 0 HE22 GLN A 115 6.053 17.056 -8.798 1.00 0.00 H new ATOM 1747 N GLY A 116 0.873 15.636 -12.179 1.00 0.00 N ATOM 1748 CA GLY A 116 0.679 16.402 -13.409 1.00 0.00 C ATOM 1749 C GLY A 116 1.634 17.587 -13.508 1.00 0.00 C ATOM 1750 O GLY A 116 1.561 18.516 -12.689 1.00 0.00 O ATOM 0 H GLY A 116 1.372 14.756 -12.312 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.824 15.748 -14.269 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.349 16.762 -13.452 1.00 0.00 H new ATOM 1754 N THR A 117 2.514 17.583 -14.520 1.00 0.00 N ATOM 1755 CA THR A 117 3.529 18.634 -14.686 1.00 0.00 C ATOM 1756 C THR A 117 3.066 19.676 -15.745 1.00 0.00 C ATOM 1757 O THR A 117 2.702 19.320 -16.879 1.00 0.00 O ATOM 1758 CB THR A 117 4.939 18.019 -15.018 1.00 0.00 C ATOM 1759 OG1 THR A 117 5.938 19.054 -15.050 1.00 0.00 O ATOM 1760 CG2 THR A 117 4.957 17.225 -16.337 1.00 0.00 C ATOM 0 H THR A 117 2.543 16.860 -15.239 1.00 0.00 H new ATOM 0 HA THR A 117 3.641 19.164 -13.740 1.00 0.00 H new ATOM 0 HB THR A 117 5.166 17.310 -14.222 1.00 0.00 H new ATOM 0 HG1 THR A 117 6.624 18.868 -14.375 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.957 16.827 -16.509 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.245 16.402 -16.276 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.682 17.883 -17.161 1.00 0.00 H new ATOM 1768 N GLN A 118 3.014 20.961 -15.318 1.00 0.00 N ATOM 1769 CA GLN A 118 2.562 22.096 -16.149 1.00 0.00 C ATOM 1770 C GLN A 118 3.659 22.517 -17.135 1.00 0.00 C ATOM 1771 O GLN A 118 4.623 23.186 -16.754 1.00 0.00 O ATOM 1772 CB GLN A 118 2.130 23.305 -15.240 1.00 0.00 C ATOM 1773 CG GLN A 118 0.614 23.425 -14.983 1.00 0.00 C ATOM 1774 CD GLN A 118 -0.159 23.938 -16.206 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -0.346 25.138 -16.371 1.00 0.00 O ATOM 1776 NE2 GLN A 118 -0.579 23.039 -17.082 1.00 0.00 N ATOM 0 H GLN A 118 3.289 21.238 -14.376 1.00 0.00 H new ATOM 0 HA GLN A 118 1.695 21.777 -16.727 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.639 23.217 -14.280 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.478 24.229 -15.702 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.221 22.450 -14.693 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.445 24.099 -14.143 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.408 22.047 -16.917 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.073 23.338 -17.922 1.00 0.00 H new ATOM 1785 N VAL A 119 3.513 22.098 -18.397 1.00 0.00 N ATOM 1786 CA VAL A 119 4.374 22.559 -19.495 1.00 0.00 C ATOM 1787 C VAL A 119 3.700 23.771 -20.169 1.00 0.00 C ATOM 1788 O VAL A 119 2.476 23.800 -20.338 1.00 0.00 O ATOM 1789 CB VAL A 119 4.652 21.414 -20.546 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.273 20.170 -19.870 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.383 21.019 -21.329 1.00 0.00 C ATOM 0 H VAL A 119 2.797 21.432 -18.687 1.00 0.00 H new ATOM 0 HA VAL A 119 5.343 22.848 -19.088 1.00 0.00 H new ATOM 0 HB VAL A 119 5.369 21.817 -21.261 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.452 19.400 -20.620 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.217 20.445 -19.399 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.588 19.787 -19.113 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.625 20.228 -22.039 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.623 20.662 -20.634 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.003 21.887 -21.868 1.00 0.00 H new ATOM 1801 N THR A 120 4.475 24.800 -20.492 1.00 0.00 N ATOM 1802 CA THR A 120 3.981 25.945 -21.261 1.00 0.00 C ATOM 1803 C THR A 120 5.000 26.263 -22.346 1.00 0.00 C ATOM 1804 O THR A 120 6.078 26.772 -22.062 1.00 0.00 O ATOM 1805 CB THR A 120 3.725 27.184 -20.332 1.00 0.00 C ATOM 1806 OG1 THR A 120 2.801 26.822 -19.287 1.00 0.00 O ATOM 1807 CG2 THR A 120 3.164 28.403 -21.097 1.00 0.00 C ATOM 0 H THR A 120 5.459 24.868 -20.232 1.00 0.00 H new ATOM 0 HA THR A 120 3.023 25.699 -21.720 1.00 0.00 H new ATOM 0 HB THR A 120 4.691 27.473 -19.917 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.643 27.596 -18.707 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.008 29.228 -20.402 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.873 28.707 -21.867 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.215 28.135 -21.562 1.00 0.00 H new ATOM 1815 N VAL A 121 4.690 25.908 -23.593 1.00 0.00 N ATOM 1816 CA VAL A 121 5.600 26.156 -24.703 1.00 0.00 C ATOM 1817 C VAL A 121 5.337 27.560 -25.268 1.00 0.00 C ATOM 1818 O VAL A 121 4.375 27.773 -26.012 1.00 0.00 O ATOM 1819 CB VAL A 121 5.489 25.045 -25.804 1.00 0.00 C ATOM 1820 CG1 VAL A 121 6.400 25.344 -27.018 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.819 23.659 -25.197 1.00 0.00 C ATOM 0 H VAL A 121 3.818 25.449 -23.856 1.00 0.00 H new ATOM 0 HA VAL A 121 6.626 26.114 -24.338 1.00 0.00 H new ATOM 0 HB VAL A 121 4.462 25.037 -26.168 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.293 24.550 -27.757 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.112 26.296 -27.464 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.438 25.397 -26.690 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.739 22.895 -25.970 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.834 23.668 -24.800 1.00 0.00 H new ATOM 0 HG23 VAL A 121 5.117 23.437 -24.393 1.00 0.00 H new ATOM 1831 N SER A 122 6.179 28.525 -24.828 1.00 0.00 N ATOM 1832 CA SER A 122 6.221 29.899 -25.360 1.00 0.00 C ATOM 1833 C SER A 122 6.317 29.913 -26.902 1.00 0.00 C ATOM 1834 O SER A 122 7.149 29.215 -27.471 1.00 0.00 O ATOM 1835 CB SER A 122 7.434 30.642 -24.755 1.00 0.00 C ATOM 1836 OG SER A 122 7.503 31.984 -25.205 1.00 0.00 O ATOM 0 H SER A 122 6.856 28.364 -24.082 1.00 0.00 H new ATOM 0 HA SER A 122 5.294 30.400 -25.082 1.00 0.00 H new ATOM 0 HB2 SER A 122 7.365 30.626 -23.667 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.352 30.120 -25.024 1.00 0.00 H new ATOM 0 HG SER A 122 8.280 32.425 -24.802 1.00 0.00 H new ATOM 1842 N SER A 123 5.464 30.710 -27.563 1.00 0.00 N ATOM 1843 CA SER A 123 5.482 30.867 -29.026 1.00 0.00 C ATOM 1844 C SER A 123 6.657 31.782 -29.463 1.00 0.00 C ATOM 1845 O SER A 123 6.495 32.998 -29.607 1.00 0.00 O ATOM 1846 CB SER A 123 4.109 31.405 -29.510 1.00 0.00 C ATOM 1847 OG SER A 123 3.712 32.559 -28.779 1.00 0.00 O ATOM 0 H SER A 123 4.743 31.263 -27.100 1.00 0.00 H new ATOM 0 HA SER A 123 5.646 29.897 -29.495 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.166 31.648 -30.571 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.354 30.627 -29.401 1.00 0.00 H new ATOM 0 HG SER A 123 4.458 33.193 -28.739 1.00 0.00 H new ATOM 1853 N LEU A 124 7.865 31.164 -29.569 1.00 0.00 N ATOM 1854 CA LEU A 124 9.112 31.805 -30.075 1.00 0.00 C ATOM 1855 C LEU A 124 9.616 32.992 -29.201 1.00 0.00 C ATOM 1856 O LEU A 124 10.587 33.661 -29.573 1.00 0.00 O ATOM 1857 CB LEU A 124 8.975 32.237 -31.580 1.00 0.00 C ATOM 1858 CG LEU A 124 8.946 31.098 -32.657 1.00 0.00 C ATOM 1859 CD1 LEU A 124 10.165 30.162 -32.529 1.00 0.00 C ATOM 1860 CD2 LEU A 124 7.615 30.319 -32.649 1.00 0.00 C ATOM 0 H LEU A 124 8.002 30.190 -29.301 1.00 0.00 H new ATOM 0 HA LEU A 124 9.877 31.032 -30.002 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.060 32.820 -31.681 1.00 0.00 H new ATOM 0 HB3 LEU A 124 9.805 32.903 -31.816 1.00 0.00 H new ATOM 0 HG LEU A 124 9.014 31.582 -33.631 1.00 0.00 H new ATOM 0 HD11 LEU A 124 10.109 29.386 -33.292 1.00 0.00 H new ATOM 0 HD12 LEU A 124 11.081 30.737 -32.663 1.00 0.00 H new ATOM 0 HD13 LEU A 124 10.167 29.700 -31.542 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.644 29.541 -33.412 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.467 29.862 -31.671 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.792 31.002 -32.859 1.00 0.00 H new