USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 944 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 104 GLN : amide:sc= -0.0989 K(o=-4,f=-4.7) USER MOD Set 1.2: A 105 LYS NZ :NH3+ -137:sc= -3.93! (180deg=-8.43!) USER MOD Set 2.1: A 37 TYR OH : rot 82:sc= 0.12 USER MOD Set 2.2: A 41 ASN : amide:sc= -0.127 X(o=-0.0074,f=-0.23) USER MOD Set 3.1: A 33 TYR OH : rot 30:sc= -0.199 USER MOD Set 3.2: A 82 LYS NZ :NH3+ 172:sc= 0.0317 (180deg=0.0261) USER MOD Set 4.1: A 31 LYS NZ :NH3+ 168:sc= 0.051 (180deg=-0.114) USER MOD Set 4.2: A 50 THR OG1 : rot 180:sc= 0.0516 USER MOD Set 5.1: A 8 THR OG1 : rot 105:sc= 0.546 USER MOD Set 5.2: A 78 THR OG1 : rot 180:sc= -0.543 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 5 SER OG : rot 180:sc= -0.673 USER MOD Single : A 11 TYR OH : rot 165:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 46:sc= 0.357 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.1) USER MOD Single : A 26 SER OG : rot 180:sc= -0.288 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.59 K(o=-1.6,f=-3.1!) USER MOD Single : A 30 GLN : amide:sc= -7.72! C(o=-7.7!,f=-11!) USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= 0.336 (180deg=0.0979) USER MOD Single : A 45 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.11) USER MOD Single : A 48 HIS : no HD1:sc= -8.38! C(o=-8.4!,f=-11!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -2.24! C(o=-3.1!,f=-2.2!) USER MOD Single : A 60 ASN : amide:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.8!) USER MOD Single : A 84 MET CE :methyl -177:sc= -4.41 (180deg=-4.65) USER MOD Single : A 85 SER OG : rot 98:sc= 0.405 USER MOD Single : A 90 ASN :FLIP amide:sc= -1.32 F(o=-2.7,f=-1.3) USER MOD Single : A 91 TYR OH : rot 141:sc= 0.315 USER MOD Single : A 93 GLN : amide:sc= -0.785 X(o=-0.78,f=-0.31) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 5:sc= 0.507 USER MOD Single : A 106 ASN : amide:sc=-0.00317 X(o=-0.0032,f=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot -128:sc= 0.752 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.318 2.815 22.535 1.00 0.00 N ATOM 2 CA GLY A 1 9.924 2.819 22.015 1.00 0.00 C ATOM 3 C GLY A 1 9.025 1.843 22.751 1.00 0.00 C ATOM 4 O GLY A 1 8.320 2.228 23.685 1.00 0.00 O ATOM 0 H1 GLY A 1 11.890 3.498 21.999 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.314 3.080 23.541 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.725 1.864 22.429 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.511 3.824 22.101 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.935 2.569 20.954 1.00 0.00 H new ATOM 10 N SER A 2 9.049 0.579 22.327 1.00 0.00 N ATOM 11 CA SER A 2 8.230 -0.459 22.949 1.00 0.00 C ATOM 12 C SER A 2 9.034 -1.744 23.153 1.00 0.00 C ATOM 13 O SER A 2 9.340 -2.114 24.287 1.00 0.00 O ATOM 14 CB SER A 2 6.988 -0.742 22.099 1.00 0.00 C ATOM 15 OG SER A 2 6.199 0.425 21.944 1.00 0.00 O ATOM 0 H SER A 2 9.628 0.250 21.554 1.00 0.00 H new ATOM 0 HA SER A 2 7.913 -0.096 23.927 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.291 -1.113 21.120 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.394 -1.527 22.567 1.00 0.00 H new ATOM 0 HG SER A 2 5.413 0.218 21.396 1.00 0.00 H new ATOM 21 N ARG A 3 9.376 -2.418 22.051 1.00 0.00 N ATOM 22 CA ARG A 3 10.149 -3.659 22.117 1.00 0.00 C ATOM 23 C ARG A 3 10.837 -3.953 20.783 1.00 0.00 C ATOM 24 O ARG A 3 12.038 -3.720 20.636 1.00 0.00 O ATOM 25 CB ARG A 3 9.246 -4.834 22.509 1.00 0.00 C ATOM 26 CG ARG A 3 9.372 -5.241 23.968 1.00 0.00 C ATOM 27 CD ARG A 3 9.137 -6.731 24.158 1.00 0.00 C ATOM 28 NE ARG A 3 8.665 -7.046 25.507 1.00 0.00 N ATOM 29 CZ ARG A 3 8.654 -8.276 26.028 1.00 0.00 C ATOM 30 NH1 ARG A 3 9.082 -9.317 25.316 1.00 0.00 N ATOM 31 NH2 ARG A 3 8.212 -8.467 27.266 1.00 0.00 N ATOM 0 H ARG A 3 9.130 -2.125 21.105 1.00 0.00 H new ATOM 0 HA ARG A 3 10.918 -3.531 22.879 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.209 -4.568 22.303 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.486 -5.691 21.880 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.365 -4.979 24.334 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.654 -4.680 24.566 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.406 -7.078 23.428 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.063 -7.271 23.963 1.00 0.00 H new ATOM 0 HE ARG A 3 8.323 -6.279 26.085 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.422 -9.179 24.364 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.070 -10.252 25.722 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.882 -7.675 27.817 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.203 -9.406 27.665 1.00 0.00 H new ATOM 45 N THR A 4 10.070 -4.469 19.818 1.00 0.00 N ATOM 46 CA THR A 4 10.604 -4.799 18.497 1.00 0.00 C ATOM 47 C THR A 4 9.485 -5.210 17.533 1.00 0.00 C ATOM 48 O THR A 4 8.307 -5.157 17.885 1.00 0.00 O ATOM 49 CB THR A 4 11.648 -5.913 18.614 1.00 0.00 C ATOM 50 OG1 THR A 4 12.451 -5.975 17.449 1.00 0.00 O ATOM 51 CG2 THR A 4 11.038 -7.275 18.829 1.00 0.00 C ATOM 0 H THR A 4 9.076 -4.667 19.929 1.00 0.00 H new ATOM 0 HA THR A 4 11.082 -3.908 18.091 1.00 0.00 H new ATOM 0 HB THR A 4 12.248 -5.659 19.488 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.112 -6.692 17.545 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.830 -8.021 18.904 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.455 -7.271 19.750 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.388 -7.519 17.989 1.00 0.00 H new ATOM 59 N SER A 5 9.870 -5.626 16.320 1.00 0.00 N ATOM 60 CA SER A 5 8.918 -6.059 15.296 1.00 0.00 C ATOM 61 C SER A 5 8.214 -4.872 14.639 1.00 0.00 C ATOM 62 O SER A 5 7.376 -4.212 15.257 1.00 0.00 O ATOM 63 CB SER A 5 7.878 -7.016 15.884 1.00 0.00 C ATOM 64 OG SER A 5 8.468 -7.938 16.788 1.00 0.00 O ATOM 0 H SER A 5 10.845 -5.671 16.024 1.00 0.00 H new ATOM 0 HA SER A 5 9.491 -6.582 14.531 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.106 -6.444 16.399 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.386 -7.560 15.078 1.00 0.00 H new ATOM 0 HG SER A 5 7.777 -8.533 17.146 1.00 0.00 H new ATOM 70 N ARG A 6 8.545 -4.629 13.370 1.00 0.00 N ATOM 71 CA ARG A 6 7.928 -3.548 12.600 1.00 0.00 C ATOM 72 C ARG A 6 6.673 -4.093 11.901 1.00 0.00 C ATOM 73 O ARG A 6 6.016 -4.969 12.464 1.00 0.00 O ATOM 74 CB ARG A 6 8.936 -2.931 11.614 1.00 0.00 C ATOM 75 CG ARG A 6 9.894 -3.918 10.968 1.00 0.00 C ATOM 76 CD ARG A 6 9.181 -4.868 10.019 1.00 0.00 C ATOM 77 NE ARG A 6 8.718 -6.082 10.690 1.00 0.00 N ATOM 78 CZ ARG A 6 9.436 -7.203 10.797 1.00 0.00 C ATOM 79 NH1 ARG A 6 10.677 -7.264 10.322 1.00 0.00 N ATOM 80 NH2 ARG A 6 8.913 -8.266 11.394 1.00 0.00 N ATOM 0 H ARG A 6 9.239 -5.168 12.852 1.00 0.00 H new ATOM 0 HA ARG A 6 7.625 -2.739 13.265 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.383 -2.418 10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.518 -2.175 12.140 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.664 -3.372 10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.400 -4.493 11.744 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.329 -4.357 9.570 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.855 -5.140 9.207 1.00 0.00 H new ATOM 0 HE ARG A 6 7.786 -6.072 11.103 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.091 -6.449 9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.215 -8.126 10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.965 -8.225 11.769 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.458 -9.124 11.478 1.00 0.00 H new ATOM 94 N ILE A 7 6.304 -3.603 10.703 1.00 0.00 N ATOM 95 CA ILE A 7 5.097 -4.120 10.055 1.00 0.00 C ATOM 96 C ILE A 7 5.116 -4.092 8.520 1.00 0.00 C ATOM 97 O ILE A 7 5.962 -3.455 7.902 1.00 0.00 O ATOM 98 CB ILE A 7 3.835 -3.371 10.532 1.00 0.00 C ATOM 99 CG1 ILE A 7 3.737 -1.975 9.914 1.00 0.00 C ATOM 100 CG2 ILE A 7 3.780 -3.289 12.051 1.00 0.00 C ATOM 101 CD1 ILE A 7 2.387 -1.706 9.280 1.00 0.00 C ATOM 0 H ILE A 7 6.804 -2.880 10.186 1.00 0.00 H new ATOM 0 HA ILE A 7 5.074 -5.167 10.358 1.00 0.00 H new ATOM 0 HB ILE A 7 2.975 -3.947 10.191 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.927 -1.228 10.684 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.516 -1.861 9.160 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.879 -2.756 12.354 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.764 -4.295 12.469 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.658 -2.757 12.419 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.377 -0.701 8.858 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.205 -2.433 8.489 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.607 -1.790 10.036 1.00 0.00 H new ATOM 113 N THR A 8 4.122 -4.779 7.932 1.00 0.00 N ATOM 114 CA THR A 8 3.929 -4.850 6.476 1.00 0.00 C ATOM 115 C THR A 8 2.778 -3.917 6.094 1.00 0.00 C ATOM 116 O THR A 8 1.864 -3.721 6.899 1.00 0.00 O ATOM 117 CB THR A 8 3.609 -6.295 6.061 1.00 0.00 C ATOM 118 OG1 THR A 8 4.794 -7.065 5.990 1.00 0.00 O ATOM 119 CG2 THR A 8 2.910 -6.417 4.721 1.00 0.00 C ATOM 0 H THR A 8 3.425 -5.305 8.459 1.00 0.00 H new ATOM 0 HA THR A 8 4.838 -4.541 5.960 1.00 0.00 H new ATOM 0 HB THR A 8 2.930 -6.661 6.832 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.848 -7.655 6.771 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.721 -7.468 4.504 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.964 -5.877 4.754 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.542 -5.993 3.941 1.00 0.00 H new ATOM 127 N ALA A 9 2.806 -3.315 4.894 1.00 0.00 N ATOM 128 CA ALA A 9 1.733 -2.394 4.526 1.00 0.00 C ATOM 129 C ALA A 9 0.827 -2.914 3.424 1.00 0.00 C ATOM 130 O ALA A 9 1.263 -3.176 2.306 1.00 0.00 O ATOM 131 CB ALA A 9 2.292 -1.040 4.131 1.00 0.00 C ATOM 0 H ALA A 9 3.532 -3.445 4.190 1.00 0.00 H new ATOM 0 HA ALA A 9 1.117 -2.296 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.473 -0.373 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.845 -0.616 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.960 -1.157 3.278 1.00 0.00 H new ATOM 137 N LEU A 10 -0.454 -3.014 3.758 1.00 0.00 N ATOM 138 CA LEU A 10 -1.479 -3.447 2.822 1.00 0.00 C ATOM 139 C LEU A 10 -2.439 -2.284 2.586 1.00 0.00 C ATOM 140 O LEU A 10 -3.295 -2.006 3.419 1.00 0.00 O ATOM 141 CB LEU A 10 -2.223 -4.644 3.417 1.00 0.00 C ATOM 142 CG LEU A 10 -2.906 -5.575 2.428 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.556 -7.020 2.746 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.402 -5.368 2.486 1.00 0.00 C ATOM 0 H LEU A 10 -0.810 -2.796 4.689 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.035 -3.747 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.515 -5.229 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.977 -4.268 4.109 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.558 -5.349 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.050 -7.679 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.477 -7.156 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.890 -7.262 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.890 -6.036 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.760 -5.584 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.636 -4.334 2.231 1.00 0.00 H new ATOM 156 N TYR A 11 -2.287 -1.601 1.453 1.00 0.00 N ATOM 157 CA TYR A 11 -3.140 -0.457 1.130 1.00 0.00 C ATOM 158 C TYR A 11 -3.994 -0.777 -0.098 1.00 0.00 C ATOM 159 O TYR A 11 -3.471 -1.242 -1.111 1.00 0.00 O ATOM 160 CB TYR A 11 -2.263 0.800 0.955 1.00 0.00 C ATOM 161 CG TYR A 11 -2.822 1.883 0.059 1.00 0.00 C ATOM 162 CD1 TYR A 11 -4.157 2.257 0.123 1.00 0.00 C ATOM 163 CD2 TYR A 11 -1.999 2.551 -0.838 1.00 0.00 C ATOM 164 CE1 TYR A 11 -4.655 3.262 -0.681 1.00 0.00 C ATOM 165 CE2 TYR A 11 -2.491 3.554 -1.647 1.00 0.00 C ATOM 166 CZ TYR A 11 -3.817 3.906 -1.564 1.00 0.00 C ATOM 167 OH TYR A 11 -4.305 4.910 -2.364 1.00 0.00 O ATOM 0 H TYR A 11 -1.585 -1.818 0.746 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.835 -0.251 1.944 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.080 1.230 1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.296 0.491 0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.817 1.753 0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.955 2.280 -0.903 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -5.696 3.542 -0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.838 4.060 -2.342 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.558 5.416 -2.746 1.00 0.00 H new ATOM 177 N GLU A 12 -5.323 -0.593 0.015 1.00 0.00 N ATOM 178 CA GLU A 12 -6.220 -0.947 -1.095 1.00 0.00 C ATOM 179 C GLU A 12 -7.459 -0.050 -1.225 1.00 0.00 C ATOM 180 O GLU A 12 -7.862 0.625 -0.284 1.00 0.00 O ATOM 181 CB GLU A 12 -6.696 -2.397 -0.929 1.00 0.00 C ATOM 182 CG GLU A 12 -6.310 -3.050 0.401 1.00 0.00 C ATOM 183 CD GLU A 12 -6.937 -2.393 1.623 1.00 0.00 C ATOM 184 OE1 GLU A 12 -7.845 -1.552 1.457 1.00 0.00 O ATOM 185 OE2 GLU A 12 -6.516 -2.724 2.751 1.00 0.00 O ATOM 0 H GLU A 12 -5.787 -0.212 0.840 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.630 -0.808 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.781 -2.422 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.287 -2.995 -1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.603 -4.100 0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.225 -3.024 0.505 1.00 0.00 H new ATOM 192 N ARG A 13 -8.078 -0.106 -2.417 1.00 0.00 N ATOM 193 CA ARG A 13 -9.303 0.634 -2.727 1.00 0.00 C ATOM 194 C ARG A 13 -10.225 -0.241 -3.588 1.00 0.00 C ATOM 195 O ARG A 13 -9.746 -1.075 -4.359 1.00 0.00 O ATOM 196 CB ARG A 13 -9.002 1.962 -3.463 1.00 0.00 C ATOM 197 CG ARG A 13 -9.537 2.004 -4.890 1.00 0.00 C ATOM 198 CD ARG A 13 -9.837 3.420 -5.358 1.00 0.00 C ATOM 199 NE ARG A 13 -8.753 4.358 -5.084 1.00 0.00 N ATOM 200 CZ ARG A 13 -7.556 4.320 -5.672 1.00 0.00 C ATOM 201 NH1 ARG A 13 -7.209 3.293 -6.449 1.00 0.00 N ATOM 202 NH2 ARG A 13 -6.691 5.303 -5.452 1.00 0.00 N ATOM 0 H ARG A 13 -7.736 -0.671 -3.194 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.794 0.882 -1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.435 2.787 -2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.924 2.120 -3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.808 1.550 -5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.445 1.404 -4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.035 3.407 -6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.746 3.772 -4.870 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.922 5.092 -4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.862 2.524 -6.600 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.291 3.277 -6.893 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.944 6.077 -4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.773 5.284 -5.897 1.00 0.00 H new ATOM 216 N LEU A 14 -11.539 -0.028 -3.479 1.00 0.00 N ATOM 217 CA LEU A 14 -12.509 -0.780 -4.272 1.00 0.00 C ATOM 218 C LEU A 14 -13.391 0.187 -5.068 1.00 0.00 C ATOM 219 O LEU A 14 -13.737 1.269 -4.593 1.00 0.00 O ATOM 220 CB LEU A 14 -13.324 -1.742 -3.375 1.00 0.00 C ATOM 221 CG LEU A 14 -14.825 -1.457 -3.193 1.00 0.00 C ATOM 222 CD1 LEU A 14 -15.058 -0.078 -2.591 1.00 0.00 C ATOM 223 CD2 LEU A 14 -15.579 -1.615 -4.508 1.00 0.00 C ATOM 0 H LEU A 14 -11.953 0.659 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.984 -1.407 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.221 -2.748 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.863 -1.750 -2.387 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.217 -2.195 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.128 0.092 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.574 -0.020 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.639 0.682 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.637 -1.407 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.179 -0.916 -5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.461 -2.635 -4.875 1.00 0.00 H new ATOM 235 N SER A 15 -13.711 -0.200 -6.298 1.00 0.00 N ATOM 236 CA SER A 15 -14.512 0.635 -7.196 1.00 0.00 C ATOM 237 C SER A 15 -16.011 0.464 -6.964 1.00 0.00 C ATOM 238 O SER A 15 -16.537 -0.647 -7.001 1.00 0.00 O ATOM 239 CB SER A 15 -14.172 0.317 -8.653 1.00 0.00 C ATOM 240 OG SER A 15 -12.942 0.908 -9.032 1.00 0.00 O ATOM 0 H SER A 15 -13.427 -1.093 -6.701 1.00 0.00 H new ATOM 0 HA SER A 15 -14.264 1.674 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 15 -14.117 -0.763 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.968 0.680 -9.303 1.00 0.00 H new ATOM 0 HG SER A 15 -12.748 0.688 -9.967 1.00 0.00 H new ATOM 246 N ARG A 16 -16.692 1.585 -6.742 1.00 0.00 N ATOM 247 CA ARG A 16 -18.134 1.586 -6.515 1.00 0.00 C ATOM 248 C ARG A 16 -18.917 1.426 -7.822 1.00 0.00 C ATOM 249 O ARG A 16 -20.132 1.225 -7.794 1.00 0.00 O ATOM 250 CB ARG A 16 -18.562 2.868 -5.802 1.00 0.00 C ATOM 251 CG ARG A 16 -19.534 2.629 -4.658 1.00 0.00 C ATOM 252 CD ARG A 16 -18.809 2.511 -3.327 1.00 0.00 C ATOM 253 NE ARG A 16 -18.471 3.821 -2.771 1.00 0.00 N ATOM 254 CZ ARG A 16 -17.227 4.244 -2.528 1.00 0.00 C ATOM 255 NH1 ARG A 16 -16.177 3.460 -2.770 1.00 0.00 N ATOM 256 NH2 ARG A 16 -17.033 5.461 -2.035 1.00 0.00 N ATOM 0 H ARG A 16 -16.264 2.511 -6.714 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.364 0.729 -5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -17.676 3.373 -5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -19.023 3.540 -6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -20.251 3.448 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.102 1.718 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -19.435 1.967 -2.620 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -17.898 1.927 -3.460 1.00 0.00 H new ATOM 0 HE ARG A 16 -19.239 4.456 -2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -16.317 2.522 -3.146 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.234 3.798 -2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -17.831 6.067 -1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.086 5.790 -1.847 1.00 0.00 H new ATOM 270 N ASP A 17 -18.226 1.508 -8.968 1.00 0.00 N ATOM 271 CA ASP A 17 -18.888 1.361 -10.262 1.00 0.00 C ATOM 272 C ASP A 17 -19.339 -0.083 -10.474 1.00 0.00 C ATOM 273 O ASP A 17 -20.257 -0.342 -11.255 1.00 0.00 O ATOM 274 CB ASP A 17 -17.950 1.784 -11.396 1.00 0.00 C ATOM 275 CG ASP A 17 -17.929 3.286 -11.604 1.00 0.00 C ATOM 276 OD1 ASP A 17 -18.755 3.787 -12.395 1.00 0.00 O ATOM 277 OD2 ASP A 17 -17.086 3.961 -10.977 1.00 0.00 O ATOM 0 H ASP A 17 -17.221 1.673 -9.021 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.765 2.008 -10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -16.940 1.437 -11.176 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.260 1.297 -12.320 1.00 0.00 H new ATOM 282 N ASP A 18 -18.693 -1.012 -9.756 1.00 0.00 N ATOM 283 CA ASP A 18 -19.013 -2.434 -9.832 1.00 0.00 C ATOM 284 C ASP A 18 -19.321 -2.880 -11.262 1.00 0.00 C ATOM 285 O ASP A 18 -20.398 -3.403 -11.558 1.00 0.00 O ATOM 286 CB ASP A 18 -20.170 -2.758 -8.890 1.00 0.00 C ATOM 287 CG ASP A 18 -20.620 -4.210 -8.962 1.00 0.00 C ATOM 288 OD1 ASP A 18 -19.756 -5.100 -9.109 1.00 0.00 O ATOM 289 OD2 ASP A 18 -21.841 -4.456 -8.873 1.00 0.00 O ATOM 0 H ASP A 18 -17.936 -0.794 -9.109 1.00 0.00 H new ATOM 0 HA ASP A 18 -18.133 -2.994 -9.516 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -19.871 -2.528 -7.867 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -21.015 -2.111 -9.128 1.00 0.00 H new ATOM 294 N ASP A 19 -18.341 -2.692 -12.130 1.00 0.00 N ATOM 295 CA ASP A 19 -18.444 -3.095 -13.527 1.00 0.00 C ATOM 296 C ASP A 19 -17.761 -4.455 -13.726 1.00 0.00 C ATOM 297 O ASP A 19 -17.456 -4.856 -14.852 1.00 0.00 O ATOM 298 CB ASP A 19 -17.808 -2.034 -14.437 1.00 0.00 C ATOM 299 CG ASP A 19 -16.294 -2.147 -14.508 1.00 0.00 C ATOM 300 OD1 ASP A 19 -15.632 -1.977 -13.462 1.00 0.00 O ATOM 301 OD2 ASP A 19 -15.772 -2.407 -15.610 1.00 0.00 O ATOM 0 H ASP A 19 -17.451 -2.256 -11.889 1.00 0.00 H new ATOM 0 HA ASP A 19 -19.497 -3.187 -13.794 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.222 -2.128 -15.441 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.077 -1.042 -14.073 1.00 0.00 H new ATOM 306 N LEU A 20 -17.511 -5.145 -12.608 1.00 0.00 N ATOM 307 CA LEU A 20 -16.846 -6.442 -12.608 1.00 0.00 C ATOM 308 C LEU A 20 -17.738 -7.525 -11.993 1.00 0.00 C ATOM 309 O LEU A 20 -17.727 -8.670 -12.447 1.00 0.00 O ATOM 310 CB LEU A 20 -15.529 -6.350 -11.823 1.00 0.00 C ATOM 311 CG LEU A 20 -15.058 -4.927 -11.474 1.00 0.00 C ATOM 312 CD1 LEU A 20 -15.814 -4.373 -10.267 1.00 0.00 C ATOM 313 CD2 LEU A 20 -13.560 -4.917 -11.214 1.00 0.00 C ATOM 0 H LEU A 20 -17.767 -4.814 -11.678 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.641 -6.717 -13.643 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.639 -6.914 -10.897 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.747 -6.840 -12.403 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.272 -4.282 -12.326 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.459 -3.367 -10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.881 -4.340 -10.489 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.643 -5.016 -9.404 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.240 -3.904 -10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.331 -5.582 -10.381 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.034 -5.257 -12.106 1.00 0.00 H new ATOM 325 N THR A 21 -18.500 -7.152 -10.953 1.00 0.00 N ATOM 326 CA THR A 21 -19.402 -8.073 -10.250 1.00 0.00 C ATOM 327 C THR A 21 -18.681 -9.352 -9.819 1.00 0.00 C ATOM 328 O THR A 21 -18.643 -10.340 -10.556 1.00 0.00 O ATOM 329 CB THR A 21 -20.637 -8.408 -11.102 1.00 0.00 C ATOM 330 OG1 THR A 21 -20.314 -8.493 -12.480 1.00 0.00 O ATOM 331 CG2 THR A 21 -21.749 -7.392 -10.956 1.00 0.00 C ATOM 0 H THR A 21 -18.507 -6.204 -10.577 1.00 0.00 H new ATOM 0 HA THR A 21 -19.740 -7.561 -9.349 1.00 0.00 H new ATOM 0 HB THR A 21 -20.982 -9.372 -10.729 1.00 0.00 H new ATOM 0 HG1 THR A 21 -19.501 -9.028 -12.593 1.00 0.00 H new ATOM 0 HG21 THR A 21 -22.593 -7.684 -11.582 1.00 0.00 H new ATOM 0 HG22 THR A 21 -22.067 -7.348 -9.914 1.00 0.00 H new ATOM 0 HG23 THR A 21 -21.389 -6.411 -11.267 1.00 0.00 H new ATOM 339 N GLY A 22 -18.116 -9.319 -8.612 1.00 0.00 N ATOM 340 CA GLY A 22 -17.406 -10.471 -8.084 1.00 0.00 C ATOM 341 C GLY A 22 -16.648 -10.160 -6.802 1.00 0.00 C ATOM 342 O GLY A 22 -17.246 -9.778 -5.798 1.00 0.00 O ATOM 0 H GLY A 22 -18.139 -8.511 -7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.117 -11.275 -7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -16.706 -10.836 -8.835 1.00 0.00 H new ATOM 346 N GLU A 23 -15.330 -10.337 -6.842 1.00 0.00 N ATOM 347 CA GLU A 23 -14.466 -10.085 -5.686 1.00 0.00 C ATOM 348 C GLU A 23 -13.946 -8.642 -5.649 1.00 0.00 C ATOM 349 O GLU A 23 -13.467 -8.187 -4.612 1.00 0.00 O ATOM 350 CB GLU A 23 -13.289 -11.065 -5.696 1.00 0.00 C ATOM 351 CG GLU A 23 -12.582 -11.196 -4.355 1.00 0.00 C ATOM 352 CD GLU A 23 -12.723 -12.580 -3.752 1.00 0.00 C ATOM 353 OE1 GLU A 23 -13.696 -12.806 -3.002 1.00 0.00 O ATOM 354 OE2 GLU A 23 -11.859 -13.439 -4.031 1.00 0.00 O ATOM 0 H GLU A 23 -14.830 -10.658 -7.671 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.068 -10.235 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.650 -12.047 -6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.567 -10.742 -6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.524 -10.966 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.987 -10.459 -3.662 1.00 0.00 H new ATOM 361 N SER A 24 -14.012 -7.936 -6.780 1.00 0.00 N ATOM 362 CA SER A 24 -13.514 -6.559 -6.858 1.00 0.00 C ATOM 363 C SER A 24 -14.554 -5.507 -6.443 1.00 0.00 C ATOM 364 O SER A 24 -14.215 -4.329 -6.322 1.00 0.00 O ATOM 365 CB SER A 24 -13.037 -6.259 -8.281 1.00 0.00 C ATOM 366 OG SER A 24 -11.875 -7.003 -8.602 1.00 0.00 O ATOM 0 H SER A 24 -14.404 -8.292 -7.652 1.00 0.00 H new ATOM 0 HA SER A 24 -12.689 -6.491 -6.148 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.830 -6.496 -8.990 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.828 -5.194 -8.380 1.00 0.00 H new ATOM 0 HG SER A 24 -11.594 -6.793 -9.517 1.00 0.00 H new ATOM 372 N ASN A 25 -15.812 -5.909 -6.247 1.00 0.00 N ATOM 373 CA ASN A 25 -16.863 -4.953 -5.880 1.00 0.00 C ATOM 374 C ASN A 25 -17.103 -4.872 -4.362 1.00 0.00 C ATOM 375 O ASN A 25 -18.238 -4.697 -3.916 1.00 0.00 O ATOM 376 CB ASN A 25 -18.166 -5.291 -6.632 1.00 0.00 C ATOM 377 CG ASN A 25 -19.073 -6.263 -5.892 1.00 0.00 C ATOM 378 OD1 ASN A 25 -20.152 -5.891 -5.432 1.00 0.00 O ATOM 379 ND2 ASN A 25 -18.647 -7.513 -5.780 1.00 0.00 N ATOM 0 H ASN A 25 -16.126 -6.875 -6.334 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.519 -3.964 -6.181 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -18.715 -4.368 -6.819 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -17.913 -5.714 -7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -19.220 -8.206 -5.299 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -17.746 -7.782 -6.175 1.00 0.00 H new ATOM 386 N SER A 26 -16.034 -4.965 -3.567 1.00 0.00 N ATOM 387 CA SER A 26 -16.162 -4.873 -2.114 1.00 0.00 C ATOM 388 C SER A 26 -14.852 -4.431 -1.477 1.00 0.00 C ATOM 389 O SER A 26 -13.794 -4.478 -2.104 1.00 0.00 O ATOM 390 CB SER A 26 -16.594 -6.211 -1.511 1.00 0.00 C ATOM 391 OG SER A 26 -17.702 -6.762 -2.203 1.00 0.00 O ATOM 0 H SER A 26 -15.080 -5.102 -3.902 1.00 0.00 H new ATOM 0 HA SER A 26 -16.929 -4.127 -1.905 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.759 -6.911 -1.543 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.853 -6.071 -0.461 1.00 0.00 H new ATOM 0 HG SER A 26 -17.951 -7.617 -1.793 1.00 0.00 H new ATOM 397 N ILE A 27 -14.933 -4.005 -0.224 1.00 0.00 N ATOM 398 CA ILE A 27 -13.758 -3.557 0.506 1.00 0.00 C ATOM 399 C ILE A 27 -12.988 -4.754 1.078 1.00 0.00 C ATOM 400 O ILE A 27 -11.833 -4.993 0.716 1.00 0.00 O ATOM 401 CB ILE A 27 -14.161 -2.578 1.635 1.00 0.00 C ATOM 402 CG1 ILE A 27 -14.303 -1.150 1.082 1.00 0.00 C ATOM 403 CG2 ILE A 27 -13.168 -2.615 2.791 1.00 0.00 C ATOM 404 CD1 ILE A 27 -13.024 -0.570 0.504 1.00 0.00 C ATOM 0 H ILE A 27 -15.802 -3.961 0.308 1.00 0.00 H new ATOM 0 HA ILE A 27 -13.103 -3.030 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.127 -2.898 2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -15.070 -1.148 0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.655 -0.497 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -13.484 -1.915 3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.131 -3.622 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.179 -2.335 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.215 0.439 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.258 -0.536 1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.680 -1.196 -0.319 1.00 0.00 H new ATOM 416 N THR A 28 -13.643 -5.502 1.965 1.00 0.00 N ATOM 417 CA THR A 28 -13.040 -6.677 2.597 1.00 0.00 C ATOM 418 C THR A 28 -12.551 -7.700 1.562 1.00 0.00 C ATOM 419 O THR A 28 -11.576 -8.412 1.809 1.00 0.00 O ATOM 420 CB THR A 28 -14.047 -7.319 3.559 1.00 0.00 C ATOM 421 OG1 THR A 28 -13.427 -7.648 4.787 1.00 0.00 O ATOM 422 CG2 THR A 28 -14.687 -8.578 3.023 1.00 0.00 C ATOM 0 H THR A 28 -14.600 -5.314 2.265 1.00 0.00 H new ATOM 0 HA THR A 28 -12.164 -6.347 3.156 1.00 0.00 H new ATOM 0 HB THR A 28 -14.826 -6.568 3.691 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.086 -8.055 5.388 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.386 -8.973 3.760 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.222 -8.350 2.101 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.915 -9.321 2.821 1.00 0.00 H new ATOM 430 N ASN A 29 -13.232 -7.780 0.413 1.00 0.00 N ATOM 431 CA ASN A 29 -12.858 -8.729 -0.635 1.00 0.00 C ATOM 432 C ASN A 29 -11.444 -8.464 -1.160 1.00 0.00 C ATOM 433 O ASN A 29 -10.590 -9.353 -1.111 1.00 0.00 O ATOM 434 CB ASN A 29 -13.873 -8.699 -1.781 1.00 0.00 C ATOM 435 CG ASN A 29 -15.185 -9.365 -1.406 1.00 0.00 C ATOM 436 OD1 ASN A 29 -15.894 -8.905 -0.512 1.00 0.00 O ATOM 437 ND2 ASN A 29 -15.515 -10.458 -2.086 1.00 0.00 N ATOM 0 H ASN A 29 -14.041 -7.201 0.188 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.864 -9.725 -0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.062 -7.665 -2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.450 -9.200 -2.652 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.384 -10.948 -1.874 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -14.899 -10.807 -2.820 1.00 0.00 H new ATOM 444 N GLN A 30 -11.182 -7.245 -1.647 1.00 0.00 N ATOM 445 CA GLN A 30 -9.847 -6.917 -2.151 1.00 0.00 C ATOM 446 C GLN A 30 -8.816 -7.024 -1.021 1.00 0.00 C ATOM 447 O GLN A 30 -7.666 -7.417 -1.261 1.00 0.00 O ATOM 448 CB GLN A 30 -9.828 -5.535 -2.823 1.00 0.00 C ATOM 449 CG GLN A 30 -8.968 -4.493 -2.125 1.00 0.00 C ATOM 450 CD GLN A 30 -9.697 -3.829 -0.982 1.00 0.00 C ATOM 451 OE1 GLN A 30 -9.187 -3.753 0.131 1.00 0.00 O ATOM 452 NE2 GLN A 30 -10.899 -3.341 -1.249 1.00 0.00 N ATOM 0 H GLN A 30 -11.861 -6.486 -1.702 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.576 -7.640 -2.920 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.473 -5.650 -3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.850 -5.161 -2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.060 -4.965 -1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.659 -3.736 -2.846 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.286 -3.425 -2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.437 -2.881 -0.515 1.00 0.00 H new ATOM 461 N LYS A 31 -9.242 -6.727 0.222 1.00 0.00 N ATOM 462 CA LYS A 31 -8.354 -6.858 1.373 1.00 0.00 C ATOM 463 C LYS A 31 -7.789 -8.277 1.379 1.00 0.00 C ATOM 464 O LYS A 31 -6.583 -8.484 1.519 1.00 0.00 O ATOM 465 CB LYS A 31 -9.102 -6.586 2.684 1.00 0.00 C ATOM 466 CG LYS A 31 -9.769 -5.224 2.751 1.00 0.00 C ATOM 467 CD LYS A 31 -9.568 -4.577 4.108 1.00 0.00 C ATOM 468 CE LYS A 31 -10.866 -4.495 4.896 1.00 0.00 C ATOM 469 NZ LYS A 31 -11.158 -3.107 5.352 1.00 0.00 N ATOM 0 H LYS A 31 -10.182 -6.400 0.444 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.551 -6.126 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.861 -7.356 2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.401 -6.676 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.360 -4.578 1.974 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.835 -5.329 2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.834 -5.147 4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.160 -3.575 3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.689 -4.853 4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.807 -5.155 5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.136 -3.055 5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.502 -2.847 6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.041 -2.448 4.556 1.00 0.00 H new ATOM 483 N LYS A 32 -8.691 -9.247 1.180 1.00 0.00 N ATOM 484 CA LYS A 32 -8.331 -10.662 1.114 1.00 0.00 C ATOM 485 C LYS A 32 -7.366 -10.921 -0.042 1.00 0.00 C ATOM 486 O LYS A 32 -6.440 -11.718 0.089 1.00 0.00 O ATOM 487 CB LYS A 32 -9.578 -11.531 0.929 1.00 0.00 C ATOM 488 CG LYS A 32 -10.546 -11.496 2.104 1.00 0.00 C ATOM 489 CD LYS A 32 -12.004 -11.558 1.651 1.00 0.00 C ATOM 490 CE LYS A 32 -12.163 -12.267 0.311 1.00 0.00 C ATOM 491 NZ LYS A 32 -13.543 -12.788 0.107 1.00 0.00 N ATOM 0 H LYS A 32 -9.688 -9.069 1.061 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.846 -10.923 2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.103 -11.206 0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.266 -12.562 0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.338 -12.334 2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.384 -10.584 2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.595 -12.076 2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.402 -10.546 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.915 -11.576 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.453 -13.092 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.742 -12.854 -0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.625 -13.731 0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.227 -12.143 0.552 1.00 0.00 H new ATOM 505 N TYR A 33 -7.591 -10.244 -1.177 1.00 0.00 N ATOM 506 CA TYR A 33 -6.728 -10.405 -2.353 1.00 0.00 C ATOM 507 C TYR A 33 -5.263 -10.221 -1.966 1.00 0.00 C ATOM 508 O TYR A 33 -4.467 -11.169 -2.028 1.00 0.00 O ATOM 509 CB TYR A 33 -7.102 -9.406 -3.457 1.00 0.00 C ATOM 510 CG TYR A 33 -6.301 -9.593 -4.729 1.00 0.00 C ATOM 511 CD1 TYR A 33 -6.560 -10.660 -5.580 1.00 0.00 C ATOM 512 CD2 TYR A 33 -5.276 -8.716 -5.073 1.00 0.00 C ATOM 513 CE1 TYR A 33 -5.822 -10.848 -6.732 1.00 0.00 C ATOM 514 CE2 TYR A 33 -4.539 -8.897 -6.218 1.00 0.00 C ATOM 515 CZ TYR A 33 -4.810 -9.966 -7.046 1.00 0.00 C ATOM 516 OH TYR A 33 -4.075 -10.147 -8.196 1.00 0.00 O ATOM 0 H TYR A 33 -8.358 -9.584 -1.304 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.875 -11.414 -2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.163 -9.508 -3.685 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.951 -8.392 -3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.351 -11.354 -5.337 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.056 -7.878 -4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.037 -11.682 -7.384 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.750 -8.204 -6.469 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.633 -10.580 -8.876 1.00 0.00 H new ATOM 526 N LEU A 34 -4.912 -9.004 -1.536 1.00 0.00 N ATOM 527 CA LEU A 34 -3.543 -8.727 -1.112 1.00 0.00 C ATOM 528 C LEU A 34 -3.154 -9.720 -0.029 1.00 0.00 C ATOM 529 O LEU A 34 -2.028 -10.210 0.001 1.00 0.00 O ATOM 530 CB LEU A 34 -3.395 -7.315 -0.547 1.00 0.00 C ATOM 531 CG LEU A 34 -3.921 -6.154 -1.395 1.00 0.00 C ATOM 532 CD1 LEU A 34 -4.343 -6.596 -2.786 1.00 0.00 C ATOM 533 CD2 LEU A 34 -5.066 -5.489 -0.669 1.00 0.00 C ATOM 0 H LEU A 34 -5.548 -8.209 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.897 -8.816 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.903 -7.284 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.336 -7.139 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.109 -5.440 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.708 -5.735 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.488 -7.030 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.136 -7.340 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.445 -4.661 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.864 -6.214 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.717 -5.111 0.292 1.00 0.00 H new ATOM 545 N GLU A 35 -4.115 -10.025 0.852 1.00 0.00 N ATOM 546 CA GLU A 35 -3.892 -10.981 1.924 1.00 0.00 C ATOM 547 C GLU A 35 -3.313 -12.261 1.339 1.00 0.00 C ATOM 548 O GLU A 35 -2.244 -12.714 1.746 1.00 0.00 O ATOM 549 CB GLU A 35 -5.199 -11.279 2.664 1.00 0.00 C ATOM 550 CG GLU A 35 -5.183 -10.856 4.120 1.00 0.00 C ATOM 551 CD GLU A 35 -6.537 -11.006 4.785 1.00 0.00 C ATOM 552 OE1 GLU A 35 -7.464 -10.257 4.414 1.00 0.00 O ATOM 553 OE2 GLU A 35 -6.671 -11.873 5.673 1.00 0.00 O ATOM 0 H GLU A 35 -5.051 -9.620 0.837 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.189 -10.557 2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.018 -10.771 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.403 -12.348 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.449 -11.454 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.861 -9.817 4.189 1.00 0.00 H new ATOM 560 N ASP A 36 -4.023 -12.805 0.345 1.00 0.00 N ATOM 561 CA ASP A 36 -3.605 -14.014 -0.361 1.00 0.00 C ATOM 562 C ASP A 36 -2.176 -13.869 -0.883 1.00 0.00 C ATOM 563 O ASP A 36 -1.432 -14.847 -0.955 1.00 0.00 O ATOM 564 CB ASP A 36 -4.565 -14.295 -1.519 1.00 0.00 C ATOM 565 CG ASP A 36 -4.801 -15.776 -1.736 1.00 0.00 C ATOM 566 OD1 ASP A 36 -5.662 -16.348 -1.036 1.00 0.00 O ATOM 567 OD2 ASP A 36 -4.126 -16.364 -2.606 1.00 0.00 O ATOM 0 H ASP A 36 -4.904 -12.417 0.009 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.629 -14.851 0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.518 -13.804 -1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.163 -13.857 -2.433 1.00 0.00 H new ATOM 572 N TYR A 37 -1.797 -12.637 -1.229 1.00 0.00 N ATOM 573 CA TYR A 37 -0.454 -12.356 -1.727 1.00 0.00 C ATOM 574 C TYR A 37 0.564 -12.407 -0.592 1.00 0.00 C ATOM 575 O TYR A 37 1.438 -13.271 -0.580 1.00 0.00 O ATOM 576 CB TYR A 37 -0.399 -10.982 -2.409 1.00 0.00 C ATOM 577 CG TYR A 37 1.008 -10.511 -2.716 1.00 0.00 C ATOM 578 CD1 TYR A 37 1.800 -9.949 -1.727 1.00 0.00 C ATOM 579 CD2 TYR A 37 1.548 -10.653 -3.983 1.00 0.00 C ATOM 580 CE1 TYR A 37 3.093 -9.541 -1.990 1.00 0.00 C ATOM 581 CE2 TYR A 37 2.838 -10.243 -4.260 1.00 0.00 C ATOM 582 CZ TYR A 37 3.607 -9.689 -3.260 1.00 0.00 C ATOM 583 OH TYR A 37 4.894 -9.285 -3.529 1.00 0.00 O ATOM 0 H TYR A 37 -2.404 -11.819 -1.172 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.206 -13.123 -2.461 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.969 -11.024 -3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.887 -10.248 -1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.398 -9.828 -0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.950 -11.092 -4.768 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.697 -9.109 -1.206 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.242 -10.356 -5.255 1.00 0.00 H new ATOM 0 HH TYR A 37 5.522 -9.982 -3.245 1.00 0.00 H new ATOM 593 N ALA A 38 0.454 -11.460 0.346 1.00 0.00 N ATOM 594 CA ALA A 38 1.374 -11.379 1.478 1.00 0.00 C ATOM 595 C ALA A 38 1.577 -12.730 2.157 1.00 0.00 C ATOM 596 O ALA A 38 2.669 -13.012 2.643 1.00 0.00 O ATOM 597 CB ALA A 38 0.892 -10.355 2.488 1.00 0.00 C ATOM 0 H ALA A 38 -0.267 -10.738 0.340 1.00 0.00 H new ATOM 0 HA ALA A 38 2.339 -11.064 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.591 -10.310 3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.831 -9.376 2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.093 -10.642 2.855 1.00 0.00 H new ATOM 603 N ARG A 39 0.540 -13.572 2.179 1.00 0.00 N ATOM 604 CA ARG A 39 0.669 -14.895 2.796 1.00 0.00 C ATOM 605 C ARG A 39 1.447 -15.823 1.872 1.00 0.00 C ATOM 606 O ARG A 39 2.359 -16.524 2.313 1.00 0.00 O ATOM 607 CB ARG A 39 -0.691 -15.492 3.153 1.00 0.00 C ATOM 608 CG ARG A 39 -1.661 -15.570 1.995 1.00 0.00 C ATOM 609 CD ARG A 39 -3.083 -15.309 2.475 1.00 0.00 C ATOM 610 NE ARG A 39 -3.966 -16.451 2.235 1.00 0.00 N ATOM 611 CZ ARG A 39 -4.223 -17.406 3.133 1.00 0.00 C ATOM 612 NH1 ARG A 39 -3.680 -17.361 4.346 1.00 0.00 N ATOM 613 NH2 ARG A 39 -5.030 -18.412 2.816 1.00 0.00 N ATOM 0 H ARG A 39 -0.379 -13.368 1.786 1.00 0.00 H new ATOM 0 HA ARG A 39 1.219 -14.781 3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.541 -16.494 3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.139 -14.895 3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.388 -14.840 1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.602 -16.554 1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.069 -15.081 3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.481 -14.431 1.966 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.415 -16.523 1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.060 -16.592 4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.884 -18.096 5.023 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.452 -18.454 1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.228 -19.142 3.500 1.00 0.00 H new ATOM 627 N ARG A 40 1.115 -15.786 0.579 1.00 0.00 N ATOM 628 CA ARG A 40 1.822 -16.588 -0.416 1.00 0.00 C ATOM 629 C ARG A 40 3.292 -16.158 -0.479 1.00 0.00 C ATOM 630 O ARG A 40 4.157 -16.919 -0.913 1.00 0.00 O ATOM 631 CB ARG A 40 1.146 -16.439 -1.788 1.00 0.00 C ATOM 632 CG ARG A 40 1.959 -15.690 -2.837 1.00 0.00 C ATOM 633 CD ARG A 40 2.567 -16.648 -3.850 1.00 0.00 C ATOM 634 NE ARG A 40 3.327 -15.948 -4.885 1.00 0.00 N ATOM 635 CZ ARG A 40 3.584 -16.451 -6.095 1.00 0.00 C ATOM 636 NH1 ARG A 40 3.148 -17.662 -6.433 1.00 0.00 N ATOM 637 NH2 ARG A 40 4.284 -15.739 -6.972 1.00 0.00 N ATOM 0 H ARG A 40 0.363 -15.210 0.200 1.00 0.00 H new ATOM 0 HA ARG A 40 1.782 -17.639 -0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.917 -17.433 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.196 -15.923 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.321 -14.971 -3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.751 -15.122 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.221 -17.352 -3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.774 -17.232 -4.317 1.00 0.00 H new ATOM 0 HE ARG A 40 3.683 -15.017 -4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.612 -18.216 -5.765 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.350 -18.036 -7.360 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.624 -14.811 -6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.482 -16.121 -7.897 1.00 0.00 H new ATOM 651 N ASN A 41 3.548 -14.920 -0.043 1.00 0.00 N ATOM 652 CA ASN A 41 4.882 -14.340 -0.035 1.00 0.00 C ATOM 653 C ASN A 41 5.590 -14.596 1.295 1.00 0.00 C ATOM 654 O ASN A 41 6.775 -14.932 1.323 1.00 0.00 O ATOM 655 CB ASN A 41 4.765 -12.834 -0.300 1.00 0.00 C ATOM 656 CG ASN A 41 4.736 -12.506 -1.780 1.00 0.00 C ATOM 657 OD1 ASN A 41 5.705 -11.986 -2.330 1.00 0.00 O ATOM 658 ND2 ASN A 41 3.616 -12.803 -2.431 1.00 0.00 N ATOM 0 H ASN A 41 2.827 -14.294 0.315 1.00 0.00 H new ATOM 0 HA ASN A 41 5.480 -14.809 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.858 -12.455 0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.605 -12.320 0.167 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.536 -12.600 -3.427 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.836 -13.234 -1.934 1.00 0.00 H new ATOM 665 N GLY A 42 4.851 -14.436 2.391 1.00 0.00 N ATOM 666 CA GLY A 42 5.407 -14.649 3.719 1.00 0.00 C ATOM 667 C GLY A 42 5.704 -13.346 4.447 1.00 0.00 C ATOM 668 O GLY A 42 6.812 -13.153 4.947 1.00 0.00 O ATOM 0 H GLY A 42 3.869 -14.160 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.708 -15.240 4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.325 -15.231 3.635 1.00 0.00 H new ATOM 672 N PHE A 43 4.716 -12.446 4.491 1.00 0.00 N ATOM 673 CA PHE A 43 4.875 -11.145 5.147 1.00 0.00 C ATOM 674 C PHE A 43 4.102 -11.080 6.468 1.00 0.00 C ATOM 675 O PHE A 43 2.979 -11.575 6.566 1.00 0.00 O ATOM 676 CB PHE A 43 4.395 -10.036 4.209 1.00 0.00 C ATOM 677 CG PHE A 43 5.255 -9.861 2.991 1.00 0.00 C ATOM 678 CD1 PHE A 43 6.591 -9.513 3.098 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.718 -10.049 1.736 1.00 0.00 C ATOM 680 CE1 PHE A 43 7.371 -9.357 1.968 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.485 -9.897 0.605 1.00 0.00 C ATOM 682 CZ PHE A 43 6.816 -9.551 0.718 1.00 0.00 C ATOM 0 H PHE A 43 3.795 -12.596 4.079 1.00 0.00 H new ATOM 0 HA PHE A 43 5.932 -11.008 5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.375 -10.255 3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.364 -9.095 4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.028 -9.362 4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.677 -10.320 1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.412 -9.084 2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.046 -10.048 -0.370 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.422 -9.432 -0.168 1.00 0.00 H new ATOM 692 N GLU A 44 4.723 -10.478 7.486 1.00 0.00 N ATOM 693 CA GLU A 44 4.122 -10.353 8.806 1.00 0.00 C ATOM 694 C GLU A 44 3.547 -8.977 9.063 1.00 0.00 C ATOM 695 O GLU A 44 3.794 -8.029 8.320 1.00 0.00 O ATOM 696 CB GLU A 44 5.173 -10.615 9.865 1.00 0.00 C ATOM 697 CG GLU A 44 5.434 -12.073 10.125 1.00 0.00 C ATOM 698 CD GLU A 44 5.423 -12.928 8.871 1.00 0.00 C ATOM 699 OE1 GLU A 44 6.455 -12.970 8.171 1.00 0.00 O ATOM 700 OE2 GLU A 44 4.381 -13.557 8.591 1.00 0.00 O ATOM 0 H GLU A 44 5.653 -10.066 7.413 1.00 0.00 H new ATOM 0 HA GLU A 44 3.310 -11.079 8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.105 -10.139 9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.861 -10.141 10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.401 -12.178 10.617 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.681 -12.450 10.818 1.00 0.00 H new ATOM 707 N ASN A 45 2.809 -8.882 10.167 1.00 0.00 N ATOM 708 CA ASN A 45 2.209 -7.631 10.603 1.00 0.00 C ATOM 709 C ASN A 45 1.428 -6.942 9.481 1.00 0.00 C ATOM 710 O ASN A 45 1.332 -5.714 9.449 1.00 0.00 O ATOM 711 CB ASN A 45 3.306 -6.703 11.104 1.00 0.00 C ATOM 712 CG ASN A 45 4.089 -7.273 12.273 1.00 0.00 C ATOM 713 OD1 ASN A 45 3.568 -7.412 13.379 1.00 0.00 O ATOM 714 ND2 ASN A 45 5.353 -7.609 12.026 1.00 0.00 N ATOM 0 H ASN A 45 2.612 -9.672 10.782 1.00 0.00 H new ATOM 0 HA ASN A 45 1.502 -7.858 11.401 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.993 -6.489 10.285 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.861 -5.754 11.402 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.932 -8.000 12.770 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.743 -7.476 11.093 1.00 0.00 H new ATOM 721 N ILE A 46 0.887 -7.737 8.561 1.00 0.00 N ATOM 722 CA ILE A 46 0.126 -7.223 7.438 1.00 0.00 C ATOM 723 C ILE A 46 -1.029 -6.351 7.900 1.00 0.00 C ATOM 724 O ILE A 46 -2.114 -6.838 8.227 1.00 0.00 O ATOM 725 CB ILE A 46 -0.409 -8.373 6.570 1.00 0.00 C ATOM 726 CG1 ILE A 46 0.755 -9.209 6.040 1.00 0.00 C ATOM 727 CG2 ILE A 46 -1.251 -7.832 5.427 1.00 0.00 C ATOM 728 CD1 ILE A 46 0.356 -10.609 5.615 1.00 0.00 C ATOM 0 H ILE A 46 0.967 -8.754 8.578 1.00 0.00 H new ATOM 0 HA ILE A 46 0.803 -6.610 6.843 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.046 -9.011 7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.203 -8.694 5.190 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.522 -9.278 6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.621 -8.661 4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.095 -7.272 5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.642 -7.175 4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.234 -11.143 5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.064 -11.142 6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.389 -10.550 4.821 1.00 0.00 H new ATOM 740 N ARG A 47 -0.777 -5.054 7.906 1.00 0.00 N ATOM 741 CA ARG A 47 -1.779 -4.076 8.305 1.00 0.00 C ATOM 742 C ARG A 47 -2.620 -3.665 7.112 1.00 0.00 C ATOM 743 O ARG A 47 -2.093 -3.249 6.080 1.00 0.00 O ATOM 744 CB ARG A 47 -1.136 -2.856 8.951 1.00 0.00 C ATOM 745 CG ARG A 47 -1.966 -2.305 10.094 1.00 0.00 C ATOM 746 CD ARG A 47 -2.236 -0.826 9.916 1.00 0.00 C ATOM 747 NE ARG A 47 -2.345 -0.120 11.191 1.00 0.00 N ATOM 748 CZ ARG A 47 -3.496 0.132 11.818 1.00 0.00 C ATOM 749 NH1 ARG A 47 -4.651 -0.297 11.315 1.00 0.00 N ATOM 750 NH2 ARG A 47 -3.491 0.813 12.957 1.00 0.00 N ATOM 0 H ARG A 47 0.120 -4.649 7.637 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.427 -4.543 9.047 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.146 -3.123 9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.998 -2.080 8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.911 -2.845 10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.445 -2.471 11.037 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.434 -0.382 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.159 -0.694 9.351 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.483 0.202 11.631 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.663 -0.824 10.442 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.525 -0.099 11.803 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.609 1.142 13.351 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.369 1.007 13.439 1.00 0.00 H new ATOM 764 N HIS A 48 -3.933 -3.804 7.257 1.00 0.00 N ATOM 765 CA HIS A 48 -4.853 -3.468 6.180 1.00 0.00 C ATOM 766 C HIS A 48 -5.303 -2.011 6.255 1.00 0.00 C ATOM 767 O HIS A 48 -6.006 -1.611 7.186 1.00 0.00 O ATOM 768 CB HIS A 48 -6.076 -4.399 6.193 1.00 0.00 C ATOM 769 CG HIS A 48 -5.792 -5.789 5.726 1.00 0.00 C ATOM 770 ND1 HIS A 48 -6.320 -6.310 4.567 1.00 0.00 N ATOM 771 CD2 HIS A 48 -5.054 -6.772 6.279 1.00 0.00 C ATOM 772 CE1 HIS A 48 -5.924 -7.560 4.427 1.00 0.00 C ATOM 773 NE2 HIS A 48 -5.149 -7.867 5.455 1.00 0.00 N ATOM 0 H HIS A 48 -4.382 -4.146 8.107 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.314 -3.606 5.243 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.475 -4.443 7.207 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.854 -3.968 5.563 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.492 -6.710 7.199 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.187 -8.220 3.613 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.697 -8.768 5.610 1.00 0.00 H new ATOM 782 N PHE A 49 -4.911 -1.232 5.246 1.00 0.00 N ATOM 783 CA PHE A 49 -5.285 0.173 5.155 1.00 0.00 C ATOM 784 C PHE A 49 -6.415 0.306 4.141 1.00 0.00 C ATOM 785 O PHE A 49 -6.204 0.279 2.925 1.00 0.00 O ATOM 786 CB PHE A 49 -4.068 1.042 4.791 1.00 0.00 C ATOM 787 CG PHE A 49 -2.883 0.818 5.696 1.00 0.00 C ATOM 788 CD1 PHE A 49 -2.772 1.519 6.883 1.00 0.00 C ATOM 789 CD2 PHE A 49 -1.887 -0.096 5.369 1.00 0.00 C ATOM 790 CE1 PHE A 49 -1.697 1.321 7.725 1.00 0.00 C ATOM 791 CE2 PHE A 49 -0.809 -0.297 6.212 1.00 0.00 C ATOM 792 CZ PHE A 49 -0.717 0.412 7.388 1.00 0.00 C ATOM 0 H PHE A 49 -4.329 -1.558 4.475 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.637 0.533 6.122 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.775 0.832 3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.355 2.093 4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.537 2.231 7.155 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.956 -0.655 4.447 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.623 1.878 8.647 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.041 -1.009 5.948 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.124 0.256 8.048 1.00 0.00 H new ATOM 802 N THR A 50 -7.622 0.366 4.689 1.00 0.00 N ATOM 803 CA THR A 50 -8.863 0.408 3.923 1.00 0.00 C ATOM 804 C THR A 50 -9.149 1.738 3.237 1.00 0.00 C ATOM 805 O THR A 50 -8.689 2.800 3.658 1.00 0.00 O ATOM 806 CB THR A 50 -10.013 0.048 4.858 1.00 0.00 C ATOM 807 OG1 THR A 50 -11.199 -0.216 4.129 1.00 0.00 O ATOM 808 CG2 THR A 50 -10.317 1.127 5.879 1.00 0.00 C ATOM 0 H THR A 50 -7.770 0.387 5.698 1.00 0.00 H new ATOM 0 HA THR A 50 -8.755 -0.310 3.110 1.00 0.00 H new ATOM 0 HB THR A 50 -9.681 -0.844 5.390 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.921 -0.446 4.751 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.145 0.807 6.512 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.436 1.303 6.496 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.589 2.049 5.364 1.00 0.00 H new ATOM 816 N ASP A 51 -9.939 1.635 2.165 1.00 0.00 N ATOM 817 CA ASP A 51 -10.346 2.780 1.364 1.00 0.00 C ATOM 818 C ASP A 51 -11.816 3.114 1.598 1.00 0.00 C ATOM 819 O ASP A 51 -12.640 2.224 1.814 1.00 0.00 O ATOM 820 CB ASP A 51 -10.097 2.482 -0.122 1.00 0.00 C ATOM 821 CG ASP A 51 -11.251 2.884 -1.026 1.00 0.00 C ATOM 822 OD1 ASP A 51 -11.385 4.090 -1.322 1.00 0.00 O ATOM 823 OD2 ASP A 51 -12.020 1.990 -1.434 1.00 0.00 O ATOM 0 H ASP A 51 -10.314 0.747 1.831 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.754 3.645 1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.196 3.005 -0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.906 1.416 -0.243 1.00 0.00 H new ATOM 828 N ASP A 52 -12.136 4.404 1.536 1.00 0.00 N ATOM 829 CA ASP A 52 -13.504 4.861 1.723 1.00 0.00 C ATOM 830 C ASP A 52 -13.663 6.295 1.228 1.00 0.00 C ATOM 831 O ASP A 52 -13.155 7.233 1.845 1.00 0.00 O ATOM 832 CB ASP A 52 -13.901 4.756 3.198 1.00 0.00 C ATOM 833 CG ASP A 52 -15.304 5.268 3.465 1.00 0.00 C ATOM 834 OD1 ASP A 52 -16.265 4.673 2.935 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.440 6.263 4.205 1.00 0.00 O ATOM 0 H ASP A 52 -11.463 5.150 1.357 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.166 4.222 1.138 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.832 3.716 3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.191 5.321 3.802 1.00 0.00 H new ATOM 840 N GLY A 53 -14.371 6.451 0.107 1.00 0.00 N ATOM 841 CA GLY A 53 -14.593 7.771 -0.473 1.00 0.00 C ATOM 842 C GLY A 53 -13.314 8.584 -0.590 1.00 0.00 C ATOM 843 O GLY A 53 -13.170 9.618 0.062 1.00 0.00 O ATOM 0 H GLY A 53 -14.797 5.683 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.039 7.659 -1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.310 8.317 0.140 1.00 0.00 H new ATOM 847 N PHE A 54 -12.380 8.109 -1.415 1.00 0.00 N ATOM 848 CA PHE A 54 -11.102 8.788 -1.606 1.00 0.00 C ATOM 849 C PHE A 54 -11.186 9.843 -2.710 1.00 0.00 C ATOM 850 O PHE A 54 -11.493 9.528 -3.862 1.00 0.00 O ATOM 851 CB PHE A 54 -10.005 7.775 -1.953 1.00 0.00 C ATOM 852 CG PHE A 54 -9.457 7.016 -0.772 1.00 0.00 C ATOM 853 CD1 PHE A 54 -9.480 7.560 0.506 1.00 0.00 C ATOM 854 CD2 PHE A 54 -8.928 5.745 -0.940 1.00 0.00 C ATOM 855 CE1 PHE A 54 -8.991 6.852 1.581 1.00 0.00 C ATOM 856 CE2 PHE A 54 -8.433 5.041 0.139 1.00 0.00 C ATOM 857 CZ PHE A 54 -8.466 5.596 1.400 1.00 0.00 C ATOM 0 H PHE A 54 -12.487 7.255 -1.962 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.856 9.288 -0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.403 7.061 -2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.185 8.300 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -9.886 8.549 0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.903 5.302 -1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.020 7.286 2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.019 4.054 -0.005 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.080 5.044 2.244 1.00 0.00 H new ATOM 867 N SER A 55 -10.890 11.093 -2.350 1.00 0.00 N ATOM 868 CA SER A 55 -10.908 12.202 -3.308 1.00 0.00 C ATOM 869 C SER A 55 -9.624 12.213 -4.141 1.00 0.00 C ATOM 870 O SER A 55 -8.678 11.485 -3.840 1.00 0.00 O ATOM 871 CB SER A 55 -11.070 13.541 -2.582 1.00 0.00 C ATOM 872 OG SER A 55 -12.242 14.213 -3.007 1.00 0.00 O ATOM 0 H SER A 55 -10.634 11.364 -1.400 1.00 0.00 H new ATOM 0 HA SER A 55 -11.759 12.060 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.114 13.372 -1.506 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.199 14.168 -2.771 1.00 0.00 H new ATOM 0 HG SER A 55 -12.323 15.064 -2.528 1.00 0.00 H new ATOM 878 N GLY A 56 -9.601 13.033 -5.194 1.00 0.00 N ATOM 879 CA GLY A 56 -8.430 13.109 -6.059 1.00 0.00 C ATOM 880 C GLY A 56 -7.391 14.121 -5.590 1.00 0.00 C ATOM 881 O GLY A 56 -6.977 14.988 -6.361 1.00 0.00 O ATOM 0 H GLY A 56 -10.371 13.645 -5.463 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.966 12.124 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.750 13.370 -7.068 1.00 0.00 H new ATOM 885 N VAL A 57 -6.970 14.012 -4.327 1.00 0.00 N ATOM 886 CA VAL A 57 -5.971 14.925 -3.760 1.00 0.00 C ATOM 887 C VAL A 57 -4.550 14.343 -3.758 1.00 0.00 C ATOM 888 O VAL A 57 -3.611 15.040 -3.368 1.00 0.00 O ATOM 889 CB VAL A 57 -6.322 15.359 -2.329 1.00 0.00 C ATOM 890 CG1 VAL A 57 -7.695 16.007 -2.283 1.00 0.00 C ATOM 891 CG2 VAL A 57 -6.236 14.183 -1.370 1.00 0.00 C ATOM 0 H VAL A 57 -7.305 13.301 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.990 15.792 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.591 16.102 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.922 16.306 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.705 16.885 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.445 15.295 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.489 14.515 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.935 13.407 -1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.222 13.782 -1.376 1.00 0.00 H new ATOM 901 N ASN A 58 -4.390 13.074 -4.170 1.00 0.00 N ATOM 902 CA ASN A 58 -3.067 12.422 -4.202 1.00 0.00 C ATOM 903 C ASN A 58 -2.466 12.328 -2.797 1.00 0.00 C ATOM 904 O ASN A 58 -1.996 13.323 -2.242 1.00 0.00 O ATOM 905 CB ASN A 58 -2.118 13.183 -5.146 1.00 0.00 C ATOM 906 CG ASN A 58 -2.858 14.114 -6.097 1.00 0.00 C ATOM 907 OD1 ASN A 58 -2.909 15.398 -5.752 1.00 0.00 O flip ATOM 908 ND2 ASN A 58 -3.376 13.683 -7.126 1.00 0.00 N flip ATOM 0 H ASN A 58 -5.157 12.480 -4.485 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.197 11.408 -4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.411 13.763 -4.553 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.536 12.466 -5.725 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.313 12.690 -7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.869 14.318 -7.754 1.00 0.00 H new ATOM 915 N PHE A 59 -2.499 11.120 -2.225 1.00 0.00 N ATOM 916 CA PHE A 59 -1.976 10.876 -0.877 1.00 0.00 C ATOM 917 C PHE A 59 -2.780 11.664 0.168 1.00 0.00 C ATOM 918 O PHE A 59 -3.747 12.350 -0.171 1.00 0.00 O ATOM 919 CB PHE A 59 -0.484 11.241 -0.775 1.00 0.00 C ATOM 920 CG PHE A 59 0.362 10.833 -1.961 1.00 0.00 C ATOM 921 CD1 PHE A 59 0.835 9.533 -2.088 1.00 0.00 C ATOM 922 CD2 PHE A 59 0.697 11.756 -2.942 1.00 0.00 C ATOM 923 CE1 PHE A 59 1.619 9.168 -3.165 1.00 0.00 C ATOM 924 CE2 PHE A 59 1.480 11.392 -4.019 1.00 0.00 C ATOM 925 CZ PHE A 59 1.941 10.098 -4.130 1.00 0.00 C ATOM 0 H PHE A 59 -2.885 10.292 -2.678 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.080 9.810 -0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.399 12.319 -0.642 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.073 10.776 0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.587 8.799 -1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.340 12.772 -2.862 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.980 8.154 -3.251 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.731 12.121 -4.775 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.554 9.813 -4.972 1.00 0.00 H new ATOM 935 N ASN A 60 -2.372 11.562 1.437 1.00 0.00 N ATOM 936 CA ASN A 60 -3.044 12.264 2.538 1.00 0.00 C ATOM 937 C ASN A 60 -4.490 11.782 2.709 1.00 0.00 C ATOM 938 O ASN A 60 -5.428 12.580 2.755 1.00 0.00 O ATOM 939 CB ASN A 60 -2.997 13.780 2.313 1.00 0.00 C ATOM 940 CG ASN A 60 -1.593 14.274 2.012 1.00 0.00 C ATOM 941 OD1 ASN A 60 -1.364 14.958 1.015 1.00 0.00 O ATOM 942 ND2 ASN A 60 -0.643 13.927 2.875 1.00 0.00 N ATOM 0 H ASN A 60 -1.575 10.997 1.729 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.510 12.033 3.460 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.657 14.043 1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.377 14.289 3.199 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.319 14.229 2.723 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.876 13.359 3.689 1.00 0.00 H new ATOM 949 N ARG A 61 -4.644 10.463 2.815 1.00 0.00 N ATOM 950 CA ARG A 61 -5.951 9.823 2.993 1.00 0.00 C ATOM 951 C ARG A 61 -6.078 9.283 4.417 1.00 0.00 C ATOM 952 O ARG A 61 -5.088 9.151 5.117 1.00 0.00 O ATOM 953 CB ARG A 61 -6.127 8.666 1.994 1.00 0.00 C ATOM 954 CG ARG A 61 -5.055 8.585 0.909 1.00 0.00 C ATOM 955 CD ARG A 61 -5.654 8.475 -0.479 1.00 0.00 C ATOM 956 NE ARG A 61 -5.566 9.731 -1.211 1.00 0.00 N ATOM 957 CZ ARG A 61 -6.304 10.025 -2.277 1.00 0.00 C ATOM 958 NH1 ARG A 61 -7.178 9.150 -2.761 1.00 0.00 N ATOM 959 NH2 ARG A 61 -6.170 11.201 -2.860 1.00 0.00 N ATOM 0 H ARG A 61 -3.866 9.805 2.780 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.725 10.569 2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.136 7.726 2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.101 8.764 1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.421 9.470 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.415 7.723 1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.137 7.693 -1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.698 8.173 -0.401 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.897 10.428 -0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.289 8.240 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.738 9.388 -3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.503 11.879 -2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.734 11.432 -3.678 1.00 0.00 H new ATOM 973 N PRO A 62 -7.298 8.950 4.858 1.00 0.00 N ATOM 974 CA PRO A 62 -7.545 8.398 6.204 1.00 0.00 C ATOM 975 C PRO A 62 -6.732 7.115 6.451 1.00 0.00 C ATOM 976 O PRO A 62 -5.687 7.144 7.121 1.00 0.00 O ATOM 977 CB PRO A 62 -9.055 8.103 6.192 1.00 0.00 C ATOM 978 CG PRO A 62 -9.425 8.070 4.747 1.00 0.00 C ATOM 979 CD PRO A 62 -8.531 9.069 4.082 1.00 0.00 C ATOM 0 HA PRO A 62 -7.246 9.080 7.000 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.276 7.153 6.679 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.613 8.873 6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.281 7.074 4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.475 8.327 4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.373 8.836 3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.944 10.077 4.126 1.00 0.00 H new ATOM 987 N GLY A 63 -7.194 5.995 5.880 1.00 0.00 N ATOM 988 CA GLY A 63 -6.482 4.736 6.023 1.00 0.00 C ATOM 989 C GLY A 63 -5.043 4.856 5.554 1.00 0.00 C ATOM 990 O GLY A 63 -4.151 4.188 6.076 1.00 0.00 O ATOM 0 H GLY A 63 -8.047 5.943 5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.501 4.422 7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.990 3.962 5.448 1.00 0.00 H new ATOM 994 N PHE A 64 -4.827 5.732 4.569 1.00 0.00 N ATOM 995 CA PHE A 64 -3.505 5.983 4.017 1.00 0.00 C ATOM 996 C PHE A 64 -2.635 6.697 5.034 1.00 0.00 C ATOM 997 O PHE A 64 -1.467 6.361 5.198 1.00 0.00 O ATOM 998 CB PHE A 64 -3.653 6.826 2.769 1.00 0.00 C ATOM 999 CG PHE A 64 -2.366 7.185 2.107 1.00 0.00 C ATOM 1000 CD1 PHE A 64 -1.811 6.350 1.163 1.00 0.00 C ATOM 1001 CD2 PHE A 64 -1.726 8.366 2.419 1.00 0.00 C ATOM 1002 CE1 PHE A 64 -0.631 6.685 0.538 1.00 0.00 C ATOM 1003 CE2 PHE A 64 -0.548 8.712 1.800 1.00 0.00 C ATOM 1004 CZ PHE A 64 0.004 7.869 0.855 1.00 0.00 C ATOM 0 H PHE A 64 -5.567 6.284 4.136 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.026 5.036 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.276 6.288 2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.182 7.743 3.027 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.306 5.424 0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.155 9.027 3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.203 6.022 -0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.056 9.640 2.052 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.929 8.135 0.366 1.00 0.00 H new ATOM 1014 N GLN A 65 -3.224 7.663 5.739 1.00 0.00 N ATOM 1015 CA GLN A 65 -2.507 8.392 6.775 1.00 0.00 C ATOM 1016 C GLN A 65 -1.998 7.391 7.801 1.00 0.00 C ATOM 1017 O GLN A 65 -0.969 7.607 8.437 1.00 0.00 O ATOM 1018 CB GLN A 65 -3.403 9.441 7.438 1.00 0.00 C ATOM 1019 CG GLN A 65 -3.391 10.785 6.724 1.00 0.00 C ATOM 1020 CD GLN A 65 -4.269 11.816 7.407 1.00 0.00 C ATOM 1021 OE1 GLN A 65 -3.773 12.711 8.091 1.00 0.00 O ATOM 1022 NE2 GLN A 65 -5.580 11.697 7.225 1.00 0.00 N ATOM 0 H GLN A 65 -4.193 7.955 5.609 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.668 8.926 6.328 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.426 9.065 7.472 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.081 9.583 8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.368 11.158 6.677 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.728 10.649 5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.948 10.939 6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.218 12.363 7.660 1.00 0.00 H new ATOM 1031 N SER A 66 -2.708 6.261 7.909 1.00 0.00 N ATOM 1032 CA SER A 66 -2.300 5.189 8.798 1.00 0.00 C ATOM 1033 C SER A 66 -1.105 4.479 8.165 1.00 0.00 C ATOM 1034 O SER A 66 -0.098 4.231 8.829 1.00 0.00 O ATOM 1035 CB SER A 66 -3.451 4.208 9.031 1.00 0.00 C ATOM 1036 OG SER A 66 -3.717 4.050 10.414 1.00 0.00 O ATOM 0 H SER A 66 -3.565 6.074 7.389 1.00 0.00 H new ATOM 0 HA SER A 66 -2.021 5.597 9.770 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.347 4.567 8.524 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.203 3.241 8.593 1.00 0.00 H new ATOM 0 HG SER A 66 -4.458 3.420 10.535 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.212 4.202 6.853 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.138 3.573 6.100 1.00 0.00 C ATOM 1044 C LEU A 67 1.121 4.455 6.176 1.00 0.00 C ATOM 1045 O LEU A 67 2.220 3.972 6.476 1.00 0.00 O ATOM 1046 CB LEU A 67 -0.614 3.352 4.648 1.00 0.00 C ATOM 1047 CG LEU A 67 0.379 3.689 3.548 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.543 2.728 3.592 1.00 0.00 C ATOM 1049 CD2 LEU A 67 -0.307 3.634 2.197 1.00 0.00 C ATOM 0 H LEU A 67 -2.042 4.410 6.298 1.00 0.00 H new ATOM 0 HA LEU A 67 0.120 2.601 6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.901 2.306 4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.513 3.948 4.490 1.00 0.00 H new ATOM 0 HG LEU A 67 0.757 4.699 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.250 2.976 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.040 2.803 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.180 1.710 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.411 3.877 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.701 2.632 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.125 4.354 2.175 1.00 0.00 H new ATOM 1061 N ILE A 68 0.938 5.761 5.946 1.00 0.00 N ATOM 1062 CA ILE A 68 2.037 6.722 6.024 1.00 0.00 C ATOM 1063 C ILE A 68 2.575 6.787 7.460 1.00 0.00 C ATOM 1064 O ILE A 68 3.778 6.926 7.667 1.00 0.00 O ATOM 1065 CB ILE A 68 1.601 8.141 5.543 1.00 0.00 C ATOM 1066 CG1 ILE A 68 2.691 8.809 4.683 1.00 0.00 C ATOM 1067 CG2 ILE A 68 1.252 9.043 6.722 1.00 0.00 C ATOM 1068 CD1 ILE A 68 3.206 7.968 3.531 1.00 0.00 C ATOM 0 H ILE A 68 0.037 6.174 5.704 1.00 0.00 H new ATOM 0 HA ILE A 68 2.828 6.380 5.357 1.00 0.00 H new ATOM 0 HB ILE A 68 0.711 8.005 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.295 9.742 4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.531 9.069 5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.952 10.024 6.353 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.431 8.602 7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.123 9.149 7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.969 8.525 2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.638 7.045 3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.382 7.729 2.858 1.00 0.00 H new ATOM 1080 N LYS A 69 1.665 6.667 8.444 1.00 0.00 N ATOM 1081 CA LYS A 69 2.034 6.694 9.865 1.00 0.00 C ATOM 1082 C LYS A 69 3.048 5.594 10.179 1.00 0.00 C ATOM 1083 O LYS A 69 3.960 5.783 10.987 1.00 0.00 O ATOM 1084 CB LYS A 69 0.780 6.563 10.750 1.00 0.00 C ATOM 1085 CG LYS A 69 0.751 5.336 11.655 1.00 0.00 C ATOM 1086 CD LYS A 69 0.779 5.714 13.129 1.00 0.00 C ATOM 1087 CE LYS A 69 2.026 6.509 13.490 1.00 0.00 C ATOM 1088 NZ LYS A 69 2.831 5.840 14.551 1.00 0.00 N ATOM 0 H LYS A 69 0.666 6.550 8.276 1.00 0.00 H new ATOM 0 HA LYS A 69 2.503 7.653 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.698 7.455 11.371 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.099 6.541 10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.146 4.753 11.447 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.605 4.698 11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.107 6.301 13.370 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.737 4.810 13.736 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.640 6.642 12.600 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.736 7.503 13.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.670 6.416 14.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.254 5.735 15.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.131 4.901 14.219 1.00 0.00 H new ATOM 1102 N GLU A 70 2.896 4.450 9.519 1.00 0.00 N ATOM 1103 CA GLU A 70 3.821 3.340 9.715 1.00 0.00 C ATOM 1104 C GLU A 70 5.145 3.673 9.047 1.00 0.00 C ATOM 1105 O GLU A 70 6.210 3.393 9.594 1.00 0.00 O ATOM 1106 CB GLU A 70 3.269 2.025 9.144 1.00 0.00 C ATOM 1107 CG GLU A 70 1.769 1.841 9.316 1.00 0.00 C ATOM 1108 CD GLU A 70 1.366 1.462 10.730 1.00 0.00 C ATOM 1109 OE1 GLU A 70 1.657 2.239 11.664 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.749 0.391 10.901 1.00 0.00 O ATOM 0 H GLU A 70 2.148 4.268 8.850 1.00 0.00 H new ATOM 0 HA GLU A 70 3.960 3.199 10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.508 1.976 8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.782 1.192 9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.263 2.765 9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.424 1.069 8.628 1.00 0.00 H new ATOM 1117 N VAL A 71 5.065 4.289 7.862 1.00 0.00 N ATOM 1118 CA VAL A 71 6.261 4.674 7.116 1.00 0.00 C ATOM 1119 C VAL A 71 7.084 5.720 7.870 1.00 0.00 C ATOM 1120 O VAL A 71 8.309 5.617 7.939 1.00 0.00 O ATOM 1121 CB VAL A 71 5.929 5.237 5.718 1.00 0.00 C ATOM 1122 CG1 VAL A 71 7.170 5.236 4.851 1.00 0.00 C ATOM 1123 CG2 VAL A 71 4.825 4.447 5.042 1.00 0.00 C ATOM 0 H VAL A 71 4.186 4.529 7.403 1.00 0.00 H new ATOM 0 HA VAL A 71 6.840 3.757 7.002 1.00 0.00 H new ATOM 0 HB VAL A 71 5.575 6.260 5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.926 5.635 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.938 5.856 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.541 4.216 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.620 4.874 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.138 3.409 4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.922 4.489 5.651 1.00 0.00 H new ATOM 1133 N GLU A 72 6.407 6.726 8.431 1.00 0.00 N ATOM 1134 CA GLU A 72 7.089 7.788 9.176 1.00 0.00 C ATOM 1135 C GLU A 72 7.780 7.219 10.411 1.00 0.00 C ATOM 1136 O GLU A 72 8.904 7.601 10.733 1.00 0.00 O ATOM 1137 CB GLU A 72 6.119 8.903 9.583 1.00 0.00 C ATOM 1138 CG GLU A 72 4.726 8.418 9.932 1.00 0.00 C ATOM 1139 CD GLU A 72 4.105 9.189 11.082 1.00 0.00 C ATOM 1140 OE1 GLU A 72 3.497 10.250 10.828 1.00 0.00 O ATOM 1141 OE2 GLU A 72 4.225 8.731 12.238 1.00 0.00 O ATOM 0 H GLU A 72 5.393 6.827 8.384 1.00 0.00 H new ATOM 0 HA GLU A 72 7.841 8.220 8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.532 9.434 10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.047 9.623 8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.085 8.505 9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.769 7.360 10.191 1.00 0.00 H new ATOM 1148 N ALA A 73 7.100 6.295 11.091 1.00 0.00 N ATOM 1149 CA ALA A 73 7.643 5.655 12.287 1.00 0.00 C ATOM 1150 C ALA A 73 8.718 4.612 11.942 1.00 0.00 C ATOM 1151 O ALA A 73 9.421 4.125 12.828 1.00 0.00 O ATOM 1152 CB ALA A 73 6.514 5.006 13.070 1.00 0.00 C ATOM 0 H ALA A 73 6.168 5.973 10.831 1.00 0.00 H new ATOM 0 HA ALA A 73 8.121 6.424 12.894 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.918 4.528 13.963 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.790 5.766 13.362 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.023 4.257 12.448 1.00 0.00 H new ATOM 1158 N GLY A 74 8.828 4.266 10.655 1.00 0.00 N ATOM 1159 CA GLY A 74 9.801 3.278 10.212 1.00 0.00 C ATOM 1160 C GLY A 74 9.393 1.857 10.574 1.00 0.00 C ATOM 1161 O GLY A 74 10.228 1.042 10.966 1.00 0.00 O ATOM 0 H GLY A 74 8.254 4.658 9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.925 3.353 9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.770 3.500 10.660 1.00 0.00 H new ATOM 1165 N ASN A 75 8.099 1.568 10.423 1.00 0.00 N ATOM 1166 CA ASN A 75 7.541 0.250 10.706 1.00 0.00 C ATOM 1167 C ASN A 75 7.264 -0.490 9.404 1.00 0.00 C ATOM 1168 O ASN A 75 7.625 -1.653 9.254 1.00 0.00 O ATOM 1169 CB ASN A 75 6.241 0.393 11.502 1.00 0.00 C ATOM 1170 CG ASN A 75 6.472 0.456 12.995 1.00 0.00 C ATOM 1171 OD1 ASN A 75 7.470 -0.053 13.507 1.00 0.00 O ATOM 1172 ND2 ASN A 75 5.545 1.082 13.704 1.00 0.00 N ATOM 0 H ASN A 75 7.409 2.246 10.100 1.00 0.00 H new ATOM 0 HA ASN A 75 8.262 -0.318 11.294 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.721 1.296 11.181 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.587 -0.449 11.275 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.642 1.157 14.717 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.734 1.489 13.237 1.00 0.00 H new ATOM 1179 N VAL A 76 6.621 0.187 8.455 1.00 0.00 N ATOM 1180 CA VAL A 76 6.314 -0.435 7.178 1.00 0.00 C ATOM 1181 C VAL A 76 7.591 -0.940 6.503 1.00 0.00 C ATOM 1182 O VAL A 76 8.387 -0.161 5.978 1.00 0.00 O ATOM 1183 CB VAL A 76 5.576 0.522 6.212 1.00 0.00 C ATOM 1184 CG1 VAL A 76 6.448 1.698 5.815 1.00 0.00 C ATOM 1185 CG2 VAL A 76 5.123 -0.236 4.977 1.00 0.00 C ATOM 0 H VAL A 76 6.308 1.153 8.548 1.00 0.00 H new ATOM 0 HA VAL A 76 5.650 -1.271 7.396 1.00 0.00 H new ATOM 0 HB VAL A 76 4.705 0.918 6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.896 2.348 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.730 2.259 6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.346 1.333 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.604 0.445 4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.991 -0.658 4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.448 -1.040 5.271 1.00 0.00 H new ATOM 1195 N GLU A 77 7.774 -2.249 6.523 1.00 0.00 N ATOM 1196 CA GLU A 77 8.944 -2.874 5.911 1.00 0.00 C ATOM 1197 C GLU A 77 8.623 -3.372 4.498 1.00 0.00 C ATOM 1198 O GLU A 77 9.509 -3.837 3.779 1.00 0.00 O ATOM 1199 CB GLU A 77 9.431 -4.034 6.778 1.00 0.00 C ATOM 1200 CG GLU A 77 8.427 -5.168 6.887 1.00 0.00 C ATOM 1201 CD GLU A 77 9.069 -6.534 6.760 1.00 0.00 C ATOM 1202 OE1 GLU A 77 9.555 -6.863 5.658 1.00 0.00 O ATOM 1203 OE2 GLU A 77 9.085 -7.277 7.762 1.00 0.00 O ATOM 0 H GLU A 77 7.126 -2.906 6.958 1.00 0.00 H new ATOM 0 HA GLU A 77 9.733 -2.125 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.362 -4.421 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.657 -3.661 7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.913 -5.101 7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.671 -5.053 6.111 1.00 0.00 H new ATOM 1210 N THR A 78 7.346 -3.287 4.119 1.00 0.00 N ATOM 1211 CA THR A 78 6.888 -3.739 2.811 1.00 0.00 C ATOM 1212 C THR A 78 5.568 -3.078 2.448 1.00 0.00 C ATOM 1213 O THR A 78 4.798 -2.700 3.328 1.00 0.00 O ATOM 1214 CB THR A 78 6.695 -5.255 2.808 1.00 0.00 C ATOM 1215 OG1 THR A 78 7.392 -5.876 3.876 1.00 0.00 O ATOM 1216 CG2 THR A 78 7.155 -5.894 1.530 1.00 0.00 C ATOM 0 H THR A 78 6.607 -2.905 4.709 1.00 0.00 H new ATOM 0 HA THR A 78 7.647 -3.463 2.079 1.00 0.00 H new ATOM 0 HB THR A 78 5.621 -5.404 2.920 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.245 -6.844 3.843 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.994 -6.971 1.583 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.589 -5.484 0.694 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.216 -5.692 1.384 1.00 0.00 H new ATOM 1224 N LEU A 79 5.301 -2.950 1.153 1.00 0.00 N ATOM 1225 CA LEU A 79 4.057 -2.346 0.700 1.00 0.00 C ATOM 1226 C LEU A 79 3.397 -3.182 -0.383 1.00 0.00 C ATOM 1227 O LEU A 79 3.969 -3.404 -1.447 1.00 0.00 O ATOM 1228 CB LEU A 79 4.289 -0.942 0.154 1.00 0.00 C ATOM 1229 CG LEU A 79 3.072 0.004 0.158 1.00 0.00 C ATOM 1230 CD1 LEU A 79 1.774 -0.758 -0.006 1.00 0.00 C ATOM 1231 CD2 LEU A 79 3.016 0.833 1.427 1.00 0.00 C ATOM 0 H LEU A 79 5.924 -3.254 0.405 1.00 0.00 H new ATOM 0 HA LEU A 79 3.402 -2.295 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.085 -0.477 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.651 -1.029 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 79 3.195 0.673 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.938 -0.059 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.786 -1.298 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.662 -1.466 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.146 1.488 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.941 0.172 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.921 1.435 1.508 1.00 0.00 H new ATOM 1243 N ILE A 80 2.176 -3.604 -0.112 1.00 0.00 N ATOM 1244 CA ILE A 80 1.397 -4.376 -1.067 1.00 0.00 C ATOM 1245 C ILE A 80 0.224 -3.530 -1.567 1.00 0.00 C ATOM 1246 O ILE A 80 -0.614 -3.082 -0.779 1.00 0.00 O ATOM 1247 CB ILE A 80 0.885 -5.703 -0.459 1.00 0.00 C ATOM 1248 CG1 ILE A 80 2.014 -6.735 -0.403 1.00 0.00 C ATOM 1249 CG2 ILE A 80 -0.278 -6.254 -1.269 1.00 0.00 C ATOM 1250 CD1 ILE A 80 3.063 -6.437 0.643 1.00 0.00 C ATOM 0 H ILE A 80 1.697 -3.424 0.770 1.00 0.00 H new ATOM 0 HA ILE A 80 2.046 -4.637 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 80 0.539 -5.499 0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.586 -7.718 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.494 -6.788 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.622 -7.187 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.094 -5.531 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.047 -6.439 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.829 -7.212 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.520 -5.470 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.598 -6.414 1.628 1.00 0.00 H new ATOM 1262 N VAL A 81 0.196 -3.295 -2.877 1.00 0.00 N ATOM 1263 CA VAL A 81 -0.845 -2.485 -3.505 1.00 0.00 C ATOM 1264 C VAL A 81 -1.371 -3.163 -4.770 1.00 0.00 C ATOM 1265 O VAL A 81 -0.616 -3.833 -5.483 1.00 0.00 O ATOM 1266 CB VAL A 81 -0.298 -1.094 -3.896 1.00 0.00 C ATOM 1267 CG1 VAL A 81 -1.366 -0.256 -4.579 1.00 0.00 C ATOM 1268 CG2 VAL A 81 0.266 -0.347 -2.683 1.00 0.00 C ATOM 0 H VAL A 81 0.890 -3.658 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.651 -2.376 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 81 0.517 -1.258 -4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.952 0.717 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.704 -0.763 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.210 -0.120 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.641 0.627 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.521 -0.210 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.080 -0.925 -2.246 1.00 0.00 H new ATOM 1278 N LYS A 82 -2.658 -2.961 -5.066 1.00 0.00 N ATOM 1279 CA LYS A 82 -3.263 -3.530 -6.265 1.00 0.00 C ATOM 1280 C LYS A 82 -2.452 -3.090 -7.487 1.00 0.00 C ATOM 1281 O LYS A 82 -2.179 -3.883 -8.382 1.00 0.00 O ATOM 1282 CB LYS A 82 -4.714 -3.059 -6.402 1.00 0.00 C ATOM 1283 CG LYS A 82 -5.696 -4.182 -6.673 1.00 0.00 C ATOM 1284 CD LYS A 82 -5.348 -4.926 -7.949 1.00 0.00 C ATOM 1285 CE LYS A 82 -5.353 -6.431 -7.733 1.00 0.00 C ATOM 1286 NZ LYS A 82 -5.958 -7.167 -8.879 1.00 0.00 N ATOM 0 H LYS A 82 -3.296 -2.409 -4.492 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.260 -4.618 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.008 -2.544 -5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.776 -2.331 -7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.697 -4.877 -5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.704 -3.775 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.063 -4.667 -8.730 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.365 -4.611 -8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.331 -6.777 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.906 -6.663 -6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.817 -8.189 -8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.976 -6.961 -8.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.503 -6.865 -9.764 1.00 0.00 H new ATOM 1300 N ASP A 83 -2.059 -1.808 -7.490 1.00 0.00 N ATOM 1301 CA ASP A 83 -1.256 -1.222 -8.567 1.00 0.00 C ATOM 1302 C ASP A 83 -0.925 0.242 -8.265 1.00 0.00 C ATOM 1303 O ASP A 83 -1.585 0.882 -7.447 1.00 0.00 O ATOM 1304 CB ASP A 83 -1.970 -1.339 -9.919 1.00 0.00 C ATOM 1305 CG ASP A 83 -3.441 -0.974 -9.850 1.00 0.00 C ATOM 1306 OD1 ASP A 83 -4.268 -1.874 -9.599 1.00 0.00 O ATOM 1307 OD2 ASP A 83 -3.764 0.211 -10.053 1.00 0.00 O ATOM 0 H ASP A 83 -2.290 -1.151 -6.745 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.324 -1.783 -8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.475 -0.691 -10.642 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.872 -2.360 -10.287 1.00 0.00 H new ATOM 1312 N MET A 84 0.114 0.760 -8.923 1.00 0.00 N ATOM 1313 CA MET A 84 0.563 2.145 -8.723 1.00 0.00 C ATOM 1314 C MET A 84 -0.547 3.187 -8.933 1.00 0.00 C ATOM 1315 O MET A 84 -0.366 4.354 -8.580 1.00 0.00 O ATOM 1316 CB MET A 84 1.731 2.462 -9.661 1.00 0.00 C ATOM 1317 CG MET A 84 3.096 2.297 -9.016 1.00 0.00 C ATOM 1318 SD MET A 84 3.212 3.108 -7.413 1.00 0.00 S ATOM 1319 CE MET A 84 4.318 1.994 -6.557 1.00 0.00 C ATOM 0 H MET A 84 0.666 0.239 -9.605 1.00 0.00 H new ATOM 0 HA MET A 84 0.875 2.213 -7.681 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.671 1.812 -10.534 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.630 3.487 -10.019 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.311 1.235 -8.897 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.858 2.704 -9.680 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.448 2.330 -5.528 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.896 0.989 -6.560 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.285 1.983 -7.060 1.00 0.00 H new ATOM 1329 N SER A 85 -1.687 2.785 -9.500 1.00 0.00 N ATOM 1330 CA SER A 85 -2.784 3.725 -9.731 1.00 0.00 C ATOM 1331 C SER A 85 -3.435 4.161 -8.418 1.00 0.00 C ATOM 1332 O SER A 85 -4.096 5.198 -8.368 1.00 0.00 O ATOM 1333 CB SER A 85 -3.840 3.118 -10.659 1.00 0.00 C ATOM 1334 OG SER A 85 -3.237 2.439 -11.749 1.00 0.00 O ATOM 0 H SER A 85 -1.873 1.829 -9.803 1.00 0.00 H new ATOM 0 HA SER A 85 -2.357 4.606 -10.211 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.466 2.425 -10.097 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.494 3.905 -11.035 1.00 0.00 H new ATOM 0 HG SER A 85 -3.205 1.478 -11.559 1.00 0.00 H new ATOM 1340 N ARG A 86 -3.249 3.368 -7.359 1.00 0.00 N ATOM 1341 CA ARG A 86 -3.826 3.686 -6.058 1.00 0.00 C ATOM 1342 C ARG A 86 -3.267 5.000 -5.505 1.00 0.00 C ATOM 1343 O ARG A 86 -4.027 5.921 -5.213 1.00 0.00 O ATOM 1344 CB ARG A 86 -3.603 2.536 -5.074 1.00 0.00 C ATOM 1345 CG ARG A 86 -4.675 1.450 -5.151 1.00 0.00 C ATOM 1346 CD ARG A 86 -4.359 0.416 -6.217 1.00 0.00 C ATOM 1347 NE ARG A 86 -4.978 0.735 -7.503 1.00 0.00 N ATOM 1348 CZ ARG A 86 -6.254 0.479 -7.807 1.00 0.00 C ATOM 1349 NH1 ARG A 86 -7.071 -0.065 -6.908 1.00 0.00 N ATOM 1350 NH2 ARG A 86 -6.716 0.773 -9.017 1.00 0.00 N ATOM 0 H ARG A 86 -2.705 2.505 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.900 3.818 -6.191 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.628 2.087 -5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.575 2.936 -4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.763 0.958 -4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.641 1.908 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.279 0.347 -6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.704 -0.563 -5.884 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.399 1.182 -8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.725 -0.291 -5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.043 -0.256 -7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.097 1.193 -9.711 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.689 0.579 -9.252 1.00 0.00 H new ATOM 1364 N LEU A 87 -1.944 5.093 -5.372 1.00 0.00 N ATOM 1365 CA LEU A 87 -1.316 6.314 -4.860 1.00 0.00 C ATOM 1366 C LEU A 87 -1.327 7.429 -5.902 1.00 0.00 C ATOM 1367 O LEU A 87 -1.593 8.580 -5.560 1.00 0.00 O ATOM 1368 CB LEU A 87 0.116 6.029 -4.397 1.00 0.00 C ATOM 1369 CG LEU A 87 0.225 5.379 -3.017 1.00 0.00 C ATOM 1370 CD1 LEU A 87 0.466 3.886 -3.147 1.00 0.00 C ATOM 1371 CD2 LEU A 87 1.334 6.026 -2.206 1.00 0.00 C ATOM 0 H LEU A 87 -1.291 4.346 -5.609 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.901 6.652 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.597 5.380 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.673 6.966 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.719 5.532 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.541 3.442 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.363 3.429 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.394 3.713 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.395 5.549 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.284 5.906 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.121 7.087 -2.080 1.00 0.00 H new ATOM 1383 N GLY A 88 -1.056 7.098 -7.169 1.00 0.00 N ATOM 1384 CA GLY A 88 -1.067 8.124 -8.202 1.00 0.00 C ATOM 1385 C GLY A 88 -0.147 7.841 -9.373 1.00 0.00 C ATOM 1386 O GLY A 88 0.807 7.071 -9.259 1.00 0.00 O ATOM 0 H GLY A 88 -0.833 6.156 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.085 8.237 -8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.784 9.077 -7.754 1.00 0.00 H new ATOM 1390 N ARG A 89 -0.436 8.493 -10.503 1.00 0.00 N ATOM 1391 CA ARG A 89 0.367 8.344 -11.715 1.00 0.00 C ATOM 1392 C ARG A 89 1.679 9.120 -11.601 1.00 0.00 C ATOM 1393 O ARG A 89 2.628 8.852 -12.339 1.00 0.00 O ATOM 1394 CB ARG A 89 -0.407 8.837 -12.937 1.00 0.00 C ATOM 1395 CG ARG A 89 -1.341 7.790 -13.526 1.00 0.00 C ATOM 1396 CD ARG A 89 -2.791 8.239 -13.479 1.00 0.00 C ATOM 1397 NE ARG A 89 -3.560 7.722 -14.613 1.00 0.00 N ATOM 1398 CZ ARG A 89 -4.506 8.411 -15.262 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -4.830 9.646 -14.884 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -5.134 7.857 -16.294 1.00 0.00 N ATOM 0 H ARG A 89 -1.225 9.132 -10.601 1.00 0.00 H new ATOM 0 HA ARG A 89 0.592 7.284 -11.834 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.988 9.716 -12.659 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.301 9.153 -13.703 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.056 7.588 -14.559 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.232 6.855 -12.977 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.246 7.901 -12.548 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.834 9.328 -13.478 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.361 6.773 -14.929 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.355 10.078 -14.091 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.553 10.160 -15.387 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.894 6.910 -16.588 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.856 8.379 -16.792 1.00 0.00 H new ATOM 1414 N ASN A 90 1.720 10.091 -10.682 1.00 0.00 N ATOM 1415 CA ASN A 90 2.911 10.910 -10.480 1.00 0.00 C ATOM 1416 C ASN A 90 4.047 10.082 -9.872 1.00 0.00 C ATOM 1417 O ASN A 90 4.268 10.091 -8.661 1.00 0.00 O ATOM 1418 CB ASN A 90 2.599 12.125 -9.594 1.00 0.00 C ATOM 1419 CG ASN A 90 1.714 11.784 -8.409 1.00 0.00 C ATOM 1420 OD1 ASN A 90 2.323 11.301 -7.334 1.00 0.00 O flip ATOM 1421 ND2 ASN A 90 0.497 11.952 -8.462 1.00 0.00 N flip ATOM 0 H ASN A 90 0.940 10.326 -10.068 1.00 0.00 H new ATOM 0 HA ASN A 90 3.235 11.273 -11.455 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.534 12.553 -9.231 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.111 12.891 -10.196 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.070 12.326 -9.309 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.086 11.717 -7.658 1.00 0.00 H new ATOM 1428 N TYR A 91 4.760 9.366 -10.734 1.00 0.00 N ATOM 1429 CA TYR A 91 5.877 8.517 -10.321 1.00 0.00 C ATOM 1430 C TYR A 91 7.014 9.329 -9.679 1.00 0.00 C ATOM 1431 O TYR A 91 7.891 8.759 -9.029 1.00 0.00 O ATOM 1432 CB TYR A 91 6.354 7.708 -11.531 1.00 0.00 C ATOM 1433 CG TYR A 91 7.567 6.828 -11.306 1.00 0.00 C ATOM 1434 CD1 TYR A 91 8.850 7.320 -11.498 1.00 0.00 C ATOM 1435 CD2 TYR A 91 7.424 5.494 -10.944 1.00 0.00 C ATOM 1436 CE1 TYR A 91 9.956 6.513 -11.328 1.00 0.00 C ATOM 1437 CE2 TYR A 91 8.528 4.676 -10.778 1.00 0.00 C ATOM 1438 CZ TYR A 91 9.790 5.193 -10.969 1.00 0.00 C ATOM 1439 OH TYR A 91 10.892 4.387 -10.808 1.00 0.00 O ATOM 0 H TYR A 91 4.582 9.356 -11.738 1.00 0.00 H new ATOM 0 HA TYR A 91 5.537 7.830 -9.546 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.531 7.078 -11.869 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.579 8.402 -12.341 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.985 8.352 -11.785 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.435 5.089 -10.790 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.948 6.914 -11.476 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.401 3.640 -10.501 1.00 0.00 H new ATOM 0 HH TYR A 91 10.752 3.790 -10.044 1.00 0.00 H new ATOM 1449 N LEU A 92 6.985 10.660 -9.835 1.00 0.00 N ATOM 1450 CA LEU A 92 8.003 11.525 -9.236 1.00 0.00 C ATOM 1451 C LEU A 92 7.843 11.526 -7.715 1.00 0.00 C ATOM 1452 O LEU A 92 8.773 11.187 -6.981 1.00 0.00 O ATOM 1453 CB LEU A 92 7.894 12.956 -9.768 1.00 0.00 C ATOM 1454 CG LEU A 92 8.134 13.119 -11.268 1.00 0.00 C ATOM 1455 CD1 LEU A 92 6.930 12.624 -12.048 1.00 0.00 C ATOM 1456 CD2 LEU A 92 8.432 14.574 -11.602 1.00 0.00 C ATOM 0 H LEU A 92 6.271 11.156 -10.368 1.00 0.00 H new ATOM 0 HA LEU A 92 8.985 11.136 -9.504 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.901 13.338 -9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.610 13.580 -9.233 1.00 0.00 H new ATOM 0 HG LEU A 92 8.999 12.520 -11.553 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.113 12.745 -13.116 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.761 11.570 -11.826 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.050 13.200 -11.763 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.601 14.674 -12.674 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.586 15.195 -11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.323 14.896 -11.063 1.00 0.00 H new ATOM 1468 N GLN A 93 6.639 11.885 -7.259 1.00 0.00 N ATOM 1469 CA GLN A 93 6.314 11.905 -5.832 1.00 0.00 C ATOM 1470 C GLN A 93 6.226 10.476 -5.308 1.00 0.00 C ATOM 1471 O GLN A 93 6.825 10.137 -4.285 1.00 0.00 O ATOM 1472 CB GLN A 93 4.975 12.616 -5.606 1.00 0.00 C ATOM 1473 CG GLN A 93 5.082 14.125 -5.484 1.00 0.00 C ATOM 1474 CD GLN A 93 5.872 14.562 -4.266 1.00 0.00 C ATOM 1475 OE1 GLN A 93 5.310 14.763 -3.191 1.00 0.00 O ATOM 1476 NE2 GLN A 93 7.180 14.711 -4.428 1.00 0.00 N ATOM 0 H GLN A 93 5.868 12.168 -7.865 1.00 0.00 H new ATOM 0 HA GLN A 93 7.097 12.443 -5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.306 12.377 -6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.516 12.222 -4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.555 14.525 -6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.081 14.553 -5.434 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.605 14.533 -5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.761 15.003 -3.642 1.00 0.00 H new ATOM 1485 N VAL A 94 5.485 9.640 -6.039 1.00 0.00 N ATOM 1486 CA VAL A 94 5.317 8.234 -5.684 1.00 0.00 C ATOM 1487 C VAL A 94 6.687 7.560 -5.538 1.00 0.00 C ATOM 1488 O VAL A 94 6.935 6.815 -4.579 1.00 0.00 O ATOM 1489 CB VAL A 94 4.459 7.497 -6.744 1.00 0.00 C ATOM 1490 CG1 VAL A 94 4.407 6.003 -6.472 1.00 0.00 C ATOM 1491 CG2 VAL A 94 3.048 8.081 -6.792 1.00 0.00 C ATOM 0 H VAL A 94 4.989 9.918 -6.886 1.00 0.00 H new ATOM 0 HA VAL A 94 4.795 8.179 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 94 4.931 7.644 -7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.798 5.516 -7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.417 5.593 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.969 5.827 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.460 7.551 -7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.575 7.971 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.100 9.138 -7.053 1.00 0.00 H new ATOM 1501 N GLY A 95 7.587 7.860 -6.479 1.00 0.00 N ATOM 1502 CA GLY A 95 8.927 7.312 -6.425 1.00 0.00 C ATOM 1503 C GLY A 95 9.642 7.762 -5.177 1.00 0.00 C ATOM 1504 O GLY A 95 10.159 6.936 -4.435 1.00 0.00 O ATOM 0 H GLY A 95 7.407 8.473 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.880 6.223 -6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.489 7.627 -7.304 1.00 0.00 H new ATOM 1508 N PHE A 96 9.639 9.079 -4.932 1.00 0.00 N ATOM 1509 CA PHE A 96 10.264 9.648 -3.738 1.00 0.00 C ATOM 1510 C PHE A 96 9.910 8.801 -2.518 1.00 0.00 C ATOM 1511 O PHE A 96 10.763 8.505 -1.684 1.00 0.00 O ATOM 1512 CB PHE A 96 9.797 11.101 -3.533 1.00 0.00 C ATOM 1513 CG PHE A 96 9.725 11.539 -2.090 1.00 0.00 C ATOM 1514 CD1 PHE A 96 8.672 11.142 -1.275 1.00 0.00 C ATOM 1515 CD2 PHE A 96 10.713 12.345 -1.549 1.00 0.00 C ATOM 1516 CE1 PHE A 96 8.611 11.539 0.045 1.00 0.00 C ATOM 1517 CE2 PHE A 96 10.655 12.744 -0.228 1.00 0.00 C ATOM 1518 CZ PHE A 96 9.603 12.341 0.570 1.00 0.00 C ATOM 0 H PHE A 96 9.209 9.769 -5.548 1.00 0.00 H new ATOM 0 HA PHE A 96 11.346 9.648 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.475 11.766 -4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.812 11.220 -3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.892 10.515 -1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.538 12.665 -2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.787 11.222 0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.433 13.372 0.181 1.00 0.00 H new ATOM 0 HZ PHE A 96 9.557 12.653 1.603 1.00 0.00 H new ATOM 1528 N TYR A 97 8.641 8.406 -2.435 1.00 0.00 N ATOM 1529 CA TYR A 97 8.165 7.588 -1.332 1.00 0.00 C ATOM 1530 C TYR A 97 8.888 6.246 -1.291 1.00 0.00 C ATOM 1531 O TYR A 97 9.362 5.833 -0.242 1.00 0.00 O ATOM 1532 CB TYR A 97 6.652 7.371 -1.442 1.00 0.00 C ATOM 1533 CG TYR A 97 5.853 8.591 -1.047 1.00 0.00 C ATOM 1534 CD1 TYR A 97 5.914 9.089 0.246 1.00 0.00 C ATOM 1535 CD2 TYR A 97 5.050 9.252 -1.968 1.00 0.00 C ATOM 1536 CE1 TYR A 97 5.197 10.207 0.614 1.00 0.00 C ATOM 1537 CE2 TYR A 97 4.328 10.373 -1.608 1.00 0.00 C ATOM 1538 CZ TYR A 97 4.405 10.847 -0.316 1.00 0.00 C ATOM 1539 OH TYR A 97 3.687 11.963 0.048 1.00 0.00 O ATOM 0 H TYR A 97 7.926 8.642 -3.123 1.00 0.00 H new ATOM 0 HA TYR A 97 8.379 8.118 -0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.403 7.096 -2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.363 6.533 -0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.534 8.592 0.977 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.989 8.884 -2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.255 10.580 1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.707 10.875 -2.335 1.00 0.00 H new ATOM 0 HH TYR A 97 3.182 12.293 -0.724 1.00 0.00 H new ATOM 1549 N THR A 98 8.965 5.561 -2.429 1.00 0.00 N ATOM 1550 CA THR A 98 9.625 4.251 -2.477 1.00 0.00 C ATOM 1551 C THR A 98 11.165 4.332 -2.545 1.00 0.00 C ATOM 1552 O THR A 98 11.840 3.371 -2.175 1.00 0.00 O ATOM 1553 CB THR A 98 9.109 3.441 -3.668 1.00 0.00 C ATOM 1554 OG1 THR A 98 9.227 4.179 -4.871 1.00 0.00 O ATOM 1555 CG2 THR A 98 7.663 3.020 -3.532 1.00 0.00 C ATOM 0 H THR A 98 8.586 5.881 -3.320 1.00 0.00 H new ATOM 0 HA THR A 98 9.375 3.757 -1.538 1.00 0.00 H new ATOM 0 HB THR A 98 9.730 2.546 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.686 5.026 -4.691 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.366 2.450 -4.412 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.546 2.401 -2.642 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.033 3.905 -3.443 1.00 0.00 H new ATOM 1563 N GLU A 99 11.723 5.444 -3.052 1.00 0.00 N ATOM 1564 CA GLU A 99 13.187 5.567 -3.192 1.00 0.00 C ATOM 1565 C GLU A 99 13.877 6.270 -2.023 1.00 0.00 C ATOM 1566 O GLU A 99 14.939 5.823 -1.601 1.00 0.00 O ATOM 1567 CB GLU A 99 13.560 6.272 -4.500 1.00 0.00 C ATOM 1568 CG GLU A 99 12.827 7.583 -4.737 1.00 0.00 C ATOM 1569 CD GLU A 99 13.763 8.734 -5.055 1.00 0.00 C ATOM 1570 OE1 GLU A 99 14.614 9.061 -4.201 1.00 0.00 O ATOM 1571 OE2 GLU A 99 13.642 9.309 -6.156 1.00 0.00 O ATOM 0 H GLU A 99 11.195 6.258 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 99 13.552 4.540 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.633 6.464 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.355 5.599 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.123 7.456 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.242 7.831 -3.852 1.00 0.00 H new ATOM 1578 N VAL A 100 13.322 7.377 -1.527 1.00 0.00 N ATOM 1579 CA VAL A 100 13.956 8.108 -0.422 1.00 0.00 C ATOM 1580 C VAL A 100 13.197 7.968 0.903 1.00 0.00 C ATOM 1581 O VAL A 100 13.809 7.853 1.966 1.00 0.00 O ATOM 1582 CB VAL A 100 14.148 9.604 -0.755 1.00 0.00 C ATOM 1583 CG1 VAL A 100 12.819 10.293 -1.009 1.00 0.00 C ATOM 1584 CG2 VAL A 100 14.911 10.305 0.358 1.00 0.00 C ATOM 0 H VAL A 100 12.450 7.784 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 100 14.935 7.645 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 100 14.733 9.667 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 100 12.992 11.344 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 100 12.316 9.815 -1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 100 12.193 10.216 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 100 15.037 11.358 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 100 14.354 10.219 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.890 9.841 0.476 1.00 0.00 H new ATOM 1594 N LEU A 101 11.869 8.007 0.835 1.00 0.00 N ATOM 1595 CA LEU A 101 11.019 7.917 2.027 1.00 0.00 C ATOM 1596 C LEU A 101 11.082 6.541 2.704 1.00 0.00 C ATOM 1597 O LEU A 101 11.513 6.426 3.848 1.00 0.00 O ATOM 1598 CB LEU A 101 9.566 8.227 1.648 1.00 0.00 C ATOM 1599 CG LEU A 101 8.708 8.832 2.760 1.00 0.00 C ATOM 1600 CD1 LEU A 101 8.700 7.922 3.981 1.00 0.00 C ATOM 1601 CD2 LEU A 101 9.212 10.220 3.128 1.00 0.00 C ATOM 0 H LEU A 101 11.351 8.101 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 101 11.397 8.648 2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.569 8.914 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.093 7.305 1.309 1.00 0.00 H new ATOM 0 HG LEU A 101 7.685 8.926 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.085 8.368 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.291 6.949 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.719 7.797 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.589 10.635 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.243 10.153 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.165 10.868 2.253 1.00 0.00 H new ATOM 1613 N PHE A 102 10.613 5.516 1.994 1.00 0.00 N ATOM 1614 CA PHE A 102 10.560 4.137 2.503 1.00 0.00 C ATOM 1615 C PHE A 102 11.922 3.567 2.964 1.00 0.00 C ATOM 1616 O PHE A 102 11.964 2.758 3.887 1.00 0.00 O ATOM 1617 CB PHE A 102 9.962 3.223 1.430 1.00 0.00 C ATOM 1618 CG PHE A 102 8.478 3.402 1.206 1.00 0.00 C ATOM 1619 CD1 PHE A 102 7.844 4.570 1.592 1.00 0.00 C ATOM 1620 CD2 PHE A 102 7.718 2.400 0.609 1.00 0.00 C ATOM 1621 CE1 PHE A 102 6.492 4.744 1.388 1.00 0.00 C ATOM 1622 CE2 PHE A 102 6.358 2.569 0.407 1.00 0.00 C ATOM 1623 CZ PHE A 102 5.748 3.744 0.796 1.00 0.00 C ATOM 0 H PHE A 102 10.256 5.614 1.044 1.00 0.00 H new ATOM 0 HA PHE A 102 9.934 4.170 3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 102 10.482 3.401 0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 102 10.152 2.186 1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 102 8.417 5.357 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.194 1.481 0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.015 5.664 1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.777 1.784 -0.053 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.689 3.881 0.637 1.00 0.00 H new ATOM 1633 N PRO A 103 13.040 3.941 2.311 1.00 0.00 N ATOM 1634 CA PRO A 103 14.391 3.436 2.638 1.00 0.00 C ATOM 1635 C PRO A 103 14.718 3.333 4.131 1.00 0.00 C ATOM 1636 O PRO A 103 15.453 2.431 4.532 1.00 0.00 O ATOM 1637 CB PRO A 103 15.291 4.476 1.995 1.00 0.00 C ATOM 1638 CG PRO A 103 14.537 4.929 0.800 1.00 0.00 C ATOM 1639 CD PRO A 103 13.081 4.860 1.162 1.00 0.00 C ATOM 0 HA PRO A 103 14.506 2.411 2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.491 5.303 2.676 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.256 4.050 1.718 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.820 5.945 0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.754 4.294 -0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.688 5.843 1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.481 4.487 0.332 1.00 0.00 H new ATOM 1647 N GLN A 104 14.205 4.261 4.943 1.00 0.00 N ATOM 1648 CA GLN A 104 14.492 4.255 6.393 1.00 0.00 C ATOM 1649 C GLN A 104 14.300 2.869 7.019 1.00 0.00 C ATOM 1650 O GLN A 104 14.938 2.550 8.022 1.00 0.00 O ATOM 1651 CB GLN A 104 13.647 5.273 7.175 1.00 0.00 C ATOM 1652 CG GLN A 104 13.074 6.406 6.344 1.00 0.00 C ATOM 1653 CD GLN A 104 12.394 7.464 7.193 1.00 0.00 C ATOM 1654 OE1 GLN A 104 13.036 8.134 8.000 1.00 0.00 O ATOM 1655 NE2 GLN A 104 11.087 7.624 7.017 1.00 0.00 N ATOM 0 H GLN A 104 13.596 5.019 4.634 1.00 0.00 H new ATOM 0 HA GLN A 104 15.541 4.542 6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 104 12.825 4.745 7.658 1.00 0.00 H new ATOM 0 HB3 GLN A 104 14.261 5.699 7.968 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.874 6.868 5.765 1.00 0.00 H new ATOM 0 HG3 GLN A 104 12.357 6.002 5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 104 10.590 7.048 6.337 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.581 8.322 7.561 1.00 0.00 H new ATOM 1664 N LYS A 105 13.418 2.050 6.435 1.00 0.00 N ATOM 1665 CA LYS A 105 13.154 0.709 6.961 1.00 0.00 C ATOM 1666 C LYS A 105 13.343 -0.386 5.896 1.00 0.00 C ATOM 1667 O LYS A 105 13.007 -1.545 6.144 1.00 0.00 O ATOM 1668 CB LYS A 105 11.726 0.613 7.541 1.00 0.00 C ATOM 1669 CG LYS A 105 11.023 1.952 7.730 1.00 0.00 C ATOM 1670 CD LYS A 105 10.584 2.543 6.409 1.00 0.00 C ATOM 1671 CE LYS A 105 10.963 4.007 6.323 1.00 0.00 C ATOM 1672 NZ LYS A 105 9.943 4.804 5.605 1.00 0.00 N ATOM 0 H LYS A 105 12.879 2.291 5.603 1.00 0.00 H new ATOM 0 HA LYS A 105 13.883 0.542 7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 105 11.122 -0.009 6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 105 11.773 0.104 8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.155 1.820 8.376 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.693 2.647 8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.046 1.994 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 105 9.505 2.435 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 105 11.094 4.407 7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 105 11.922 4.104 5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.414 5.466 4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 9.324 4.168 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.373 5.338 6.292 1.00 0.00 H new ATOM 1686 N ASN A 106 13.863 -0.020 4.712 1.00 0.00 N ATOM 1687 CA ASN A 106 14.066 -0.980 3.620 1.00 0.00 C ATOM 1688 C ASN A 106 12.726 -1.593 3.218 1.00 0.00 C ATOM 1689 O ASN A 106 12.244 -2.542 3.839 1.00 0.00 O ATOM 1690 CB ASN A 106 15.072 -2.060 4.017 1.00 0.00 C ATOM 1691 CG ASN A 106 15.446 -2.953 2.858 1.00 0.00 C ATOM 1692 OD1 ASN A 106 15.104 -4.135 2.831 1.00 0.00 O ATOM 1693 ND2 ASN A 106 16.159 -2.390 1.892 1.00 0.00 N ATOM 0 H ASN A 106 14.149 0.933 4.489 1.00 0.00 H new ATOM 0 HA ASN A 106 14.481 -0.453 2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.971 -1.587 4.413 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.652 -2.667 4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 106 16.447 -2.941 1.083 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.419 -1.406 1.958 1.00 0.00 H new ATOM 1700 N VAL A 107 12.110 -0.993 2.208 1.00 0.00 N ATOM 1701 CA VAL A 107 10.793 -1.402 1.736 1.00 0.00 C ATOM 1702 C VAL A 107 10.799 -2.239 0.467 1.00 0.00 C ATOM 1703 O VAL A 107 11.637 -2.073 -0.421 1.00 0.00 O ATOM 1704 CB VAL A 107 9.903 -0.188 1.492 1.00 0.00 C ATOM 1705 CG1 VAL A 107 10.156 0.387 0.100 1.00 0.00 C ATOM 1706 CG2 VAL A 107 8.450 -0.581 1.682 1.00 0.00 C ATOM 0 H VAL A 107 12.509 -0.209 1.692 1.00 0.00 H new ATOM 0 HA VAL A 107 10.406 -2.031 2.538 1.00 0.00 H new ATOM 0 HB VAL A 107 10.143 0.593 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 107 9.513 1.253 -0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 107 11.200 0.690 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.936 -0.371 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.813 0.286 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 107 8.191 -1.369 0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 107 8.301 -0.942 2.700 1.00 0.00 H new ATOM 1716 N ARG A 108 9.793 -3.101 0.392 1.00 0.00 N ATOM 1717 CA ARG A 108 9.563 -3.951 -0.755 1.00 0.00 C ATOM 1718 C ARG A 108 8.161 -3.657 -1.268 1.00 0.00 C ATOM 1719 O ARG A 108 7.176 -4.205 -0.775 1.00 0.00 O ATOM 1720 CB ARG A 108 9.722 -5.427 -0.386 1.00 0.00 C ATOM 1721 CG ARG A 108 10.711 -6.170 -1.271 1.00 0.00 C ATOM 1722 CD ARG A 108 12.001 -6.481 -0.528 1.00 0.00 C ATOM 1723 NE ARG A 108 12.706 -7.627 -1.109 1.00 0.00 N ATOM 1724 CZ ARG A 108 13.958 -7.589 -1.583 1.00 0.00 C ATOM 1725 NH1 ARG A 108 14.662 -6.459 -1.572 1.00 0.00 N ATOM 1726 NH2 ARG A 108 14.510 -8.693 -2.074 1.00 0.00 N ATOM 0 H ARG A 108 9.109 -3.226 1.138 1.00 0.00 H new ATOM 0 HA ARG A 108 10.298 -3.746 -1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.048 -5.501 0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 108 8.750 -5.916 -0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.260 -7.098 -1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.934 -5.569 -2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.651 -5.607 -0.549 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.776 -6.686 0.519 1.00 0.00 H new ATOM 0 HE ARG A 108 12.208 -8.516 -1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.249 -5.604 -1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.614 -6.448 -1.937 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.981 -9.565 -2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.463 -8.669 -2.436 1.00 0.00 H new ATOM 1740 N PHE A 109 8.078 -2.742 -2.227 1.00 0.00 N ATOM 1741 CA PHE A 109 6.795 -2.321 -2.770 1.00 0.00 C ATOM 1742 C PHE A 109 6.266 -3.318 -3.799 1.00 0.00 C ATOM 1743 O PHE A 109 7.038 -3.946 -4.524 1.00 0.00 O ATOM 1744 CB PHE A 109 6.933 -0.945 -3.416 1.00 0.00 C ATOM 1745 CG PHE A 109 5.707 -0.089 -3.290 1.00 0.00 C ATOM 1746 CD1 PHE A 109 4.584 -0.338 -4.061 1.00 0.00 C ATOM 1747 CD2 PHE A 109 5.689 0.972 -2.407 1.00 0.00 C ATOM 1748 CE1 PHE A 109 3.462 0.458 -3.952 1.00 0.00 C ATOM 1749 CE2 PHE A 109 4.575 1.778 -2.290 1.00 0.00 C ATOM 1750 CZ PHE A 109 3.457 1.521 -3.065 1.00 0.00 C ATOM 0 H PHE A 109 8.885 -2.278 -2.644 1.00 0.00 H new ATOM 0 HA PHE A 109 6.083 -2.275 -1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.776 -0.424 -2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 109 7.168 -1.072 -4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.586 -1.165 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.559 1.174 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.591 0.252 -4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.575 2.606 -1.597 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.582 2.149 -2.978 1.00 0.00 H new ATOM 1760 N LEU A 110 4.942 -3.456 -3.855 1.00 0.00 N ATOM 1761 CA LEU A 110 4.308 -4.375 -4.790 1.00 0.00 C ATOM 1762 C LEU A 110 3.137 -3.715 -5.510 1.00 0.00 C ATOM 1763 O LEU A 110 2.218 -3.180 -4.888 1.00 0.00 O ATOM 1764 CB LEU A 110 3.853 -5.646 -4.058 1.00 0.00 C ATOM 1765 CG LEU A 110 2.895 -6.580 -4.818 1.00 0.00 C ATOM 1766 CD1 LEU A 110 1.463 -6.078 -4.728 1.00 0.00 C ATOM 1767 CD2 LEU A 110 3.324 -6.738 -6.271 1.00 0.00 C ATOM 0 H LEU A 110 4.290 -2.942 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 110 5.043 -4.651 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.740 -6.218 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.369 -5.347 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 110 2.940 -7.562 -4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.805 -6.755 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.157 -6.037 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.399 -5.081 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.630 -7.403 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.322 -5.763 -6.759 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.328 -7.161 -6.310 1.00 0.00 H new ATOM 1779 N ALA A 111 3.182 -3.799 -6.832 1.00 0.00 N ATOM 1780 CA ALA A 111 2.139 -3.265 -7.700 1.00 0.00 C ATOM 1781 C ALA A 111 1.644 -4.397 -8.582 1.00 0.00 C ATOM 1782 O ALA A 111 2.286 -4.761 -9.567 1.00 0.00 O ATOM 1783 CB ALA A 111 2.661 -2.094 -8.521 1.00 0.00 C ATOM 0 H ALA A 111 3.949 -4.243 -7.337 1.00 0.00 H new ATOM 0 HA ALA A 111 1.311 -2.877 -7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.864 -1.714 -9.160 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.999 -1.302 -7.852 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.495 -2.426 -9.140 1.00 0.00 H new ATOM 1789 N ILE A 112 0.541 -5.003 -8.174 1.00 0.00 N ATOM 1790 CA ILE A 112 -0.003 -6.162 -8.880 1.00 0.00 C ATOM 1791 C ILE A 112 -0.381 -5.894 -10.349 1.00 0.00 C ATOM 1792 O ILE A 112 0.086 -6.606 -11.239 1.00 0.00 O ATOM 1793 CB ILE A 112 -1.201 -6.753 -8.105 1.00 0.00 C ATOM 1794 CG1 ILE A 112 -0.674 -7.530 -6.898 1.00 0.00 C ATOM 1795 CG2 ILE A 112 -2.055 -7.651 -8.992 1.00 0.00 C ATOM 1796 CD1 ILE A 112 -1.558 -7.452 -5.675 1.00 0.00 C ATOM 0 H ILE A 112 0.001 -4.715 -7.358 1.00 0.00 H new ATOM 0 HA ILE A 112 0.807 -6.891 -8.919 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.840 -5.937 -7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.553 -8.576 -7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 112 0.316 -7.152 -6.641 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.888 -8.049 -8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.440 -7.073 -9.832 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -1.448 -8.475 -9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.111 -8.030 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.659 -6.412 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.542 -7.858 -5.911 1.00 0.00 H new ATOM 1808 N ASN A 113 -1.241 -4.908 -10.602 1.00 0.00 N ATOM 1809 CA ASN A 113 -1.687 -4.611 -11.971 1.00 0.00 C ATOM 1810 C ASN A 113 -0.555 -4.114 -12.875 1.00 0.00 C ATOM 1811 O ASN A 113 -0.386 -4.616 -13.987 1.00 0.00 O ATOM 1812 CB ASN A 113 -2.813 -3.573 -11.950 1.00 0.00 C ATOM 1813 CG ASN A 113 -3.835 -3.792 -13.052 1.00 0.00 C ATOM 1814 OD1 ASN A 113 -3.482 -4.098 -14.192 1.00 0.00 O ATOM 1815 ND2 ASN A 113 -5.111 -3.633 -12.718 1.00 0.00 N ATOM 0 H ASN A 113 -1.643 -4.303 -9.886 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.048 -5.551 -12.388 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -3.315 -3.607 -10.983 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -2.384 -2.576 -12.051 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -5.842 -3.765 -13.418 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -5.360 -3.379 -11.762 1.00 0.00 H new ATOM 1822 N ASN A 114 0.199 -3.117 -12.412 1.00 0.00 N ATOM 1823 CA ASN A 114 1.289 -2.546 -13.206 1.00 0.00 C ATOM 1824 C ASN A 114 2.656 -2.825 -12.585 1.00 0.00 C ATOM 1825 O ASN A 114 2.772 -2.988 -11.372 1.00 0.00 O ATOM 1826 CB ASN A 114 1.090 -1.037 -13.347 1.00 0.00 C ATOM 1827 CG ASN A 114 0.741 -0.622 -14.764 1.00 0.00 C ATOM 1828 OD1 ASN A 114 -0.360 -0.138 -15.026 1.00 0.00 O ATOM 1829 ND2 ASN A 114 1.679 -0.806 -15.688 1.00 0.00 N ATOM 0 H ASN A 114 0.076 -2.689 -11.494 1.00 0.00 H new ATOM 0 HA ASN A 114 1.265 -3.021 -14.187 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.297 -0.715 -12.673 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.000 -0.524 -13.036 1.00 0.00 H new ATOM 0 HD21 ASN A 114 1.499 -0.543 -16.657 1.00 0.00 H new ATOM 0 HD22 ASN A 114 2.579 -1.211 -15.428 1.00 0.00 H new ATOM 1836 N SER A 115 3.693 -2.862 -13.429 1.00 0.00 N ATOM 1837 CA SER A 115 5.057 -3.105 -12.959 1.00 0.00 C ATOM 1838 C SER A 115 5.484 -2.010 -11.984 1.00 0.00 C ATOM 1839 O SER A 115 5.701 -0.864 -12.378 1.00 0.00 O ATOM 1840 CB SER A 115 6.034 -3.175 -14.136 1.00 0.00 C ATOM 1841 OG SER A 115 7.025 -4.165 -13.920 1.00 0.00 O ATOM 0 H SER A 115 3.612 -2.727 -14.437 1.00 0.00 H new ATOM 0 HA SER A 115 5.074 -4.064 -12.442 1.00 0.00 H new ATOM 0 HB2 SER A 115 5.488 -3.397 -15.053 1.00 0.00 H new ATOM 0 HB3 SER A 115 6.510 -2.204 -14.276 1.00 0.00 H new ATOM 0 HG SER A 115 7.913 -3.773 -14.052 1.00 0.00 H new ATOM 1847 N ILE A 116 5.581 -2.381 -10.708 1.00 0.00 N ATOM 1848 CA ILE A 116 5.958 -1.457 -9.636 1.00 0.00 C ATOM 1849 C ILE A 116 7.199 -0.620 -9.974 1.00 0.00 C ATOM 1850 O ILE A 116 7.277 0.554 -9.613 1.00 0.00 O ATOM 1851 CB ILE A 116 6.191 -2.229 -8.315 1.00 0.00 C ATOM 1852 CG1 ILE A 116 5.640 -1.433 -7.127 1.00 0.00 C ATOM 1853 CG2 ILE A 116 7.667 -2.551 -8.115 1.00 0.00 C ATOM 1854 CD1 ILE A 116 6.491 -0.244 -6.742 1.00 0.00 C ATOM 0 H ILE A 116 5.400 -3.332 -10.387 1.00 0.00 H new ATOM 0 HA ILE A 116 5.125 -0.764 -9.519 1.00 0.00 H new ATOM 0 HB ILE A 116 5.653 -3.175 -8.377 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.635 -1.086 -7.369 1.00 0.00 H new ATOM 0 HG13 ILE A 116 5.550 -2.097 -6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.797 -3.093 -7.179 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.021 -3.166 -8.943 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.240 -1.624 -8.081 1.00 0.00 H new ATOM 0 HD11 ILE A 116 6.037 0.269 -5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 116 7.489 -0.585 -6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.561 0.442 -7.586 1.00 0.00 H new ATOM 1866 N ASP A 117 8.165 -1.233 -10.651 1.00 0.00 N ATOM 1867 CA ASP A 117 9.404 -0.549 -11.020 1.00 0.00 C ATOM 1868 C ASP A 117 10.278 -1.446 -11.893 1.00 0.00 C ATOM 1869 O ASP A 117 10.953 -0.967 -12.805 1.00 0.00 O ATOM 1870 CB ASP A 117 10.181 -0.143 -9.764 1.00 0.00 C ATOM 1871 CG ASP A 117 10.658 1.294 -9.816 1.00 0.00 C ATOM 1872 OD1 ASP A 117 11.658 1.564 -10.514 1.00 0.00 O ATOM 1873 OD2 ASP A 117 10.030 2.148 -9.159 1.00 0.00 O ATOM 0 H ASP A 117 8.115 -2.205 -10.957 1.00 0.00 H new ATOM 0 HA ASP A 117 9.141 0.345 -11.586 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.547 -0.280 -8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.040 -0.803 -9.643 1.00 0.00 H new ATOM 1878 N SER A 118 10.265 -2.751 -11.596 1.00 0.00 N ATOM 1879 CA SER A 118 11.055 -3.727 -12.336 1.00 0.00 C ATOM 1880 C SER A 118 10.776 -3.656 -13.841 1.00 0.00 C ATOM 1881 O SER A 118 9.729 -3.165 -14.268 1.00 0.00 O ATOM 1882 CB SER A 118 10.771 -5.140 -11.822 1.00 0.00 C ATOM 1883 OG SER A 118 11.793 -6.043 -12.211 1.00 0.00 O ATOM 0 H SER A 118 9.709 -3.152 -10.841 1.00 0.00 H new ATOM 0 HA SER A 118 12.106 -3.487 -12.176 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.690 -5.125 -10.735 1.00 0.00 H new ATOM 0 HB3 SER A 118 9.812 -5.484 -12.208 1.00 0.00 H new ATOM 0 HG SER A 118 11.587 -6.938 -11.868 1.00 0.00 H new ATOM 1889 N ASN A 119 11.724 -4.154 -14.637 1.00 0.00 N ATOM 1890 CA ASN A 119 11.594 -4.154 -16.095 1.00 0.00 C ATOM 1891 C ASN A 119 10.617 -5.238 -16.564 1.00 0.00 C ATOM 1892 O ASN A 119 9.748 -5.671 -15.804 1.00 0.00 O ATOM 1893 CB ASN A 119 12.967 -4.367 -16.743 1.00 0.00 C ATOM 1894 CG ASN A 119 13.254 -3.372 -17.842 1.00 0.00 C ATOM 1895 OD1 ASN A 119 13.344 -3.732 -19.015 1.00 0.00 O ATOM 1896 ND2 ASN A 119 13.408 -2.112 -17.465 1.00 0.00 N ATOM 0 H ASN A 119 12.593 -4.564 -14.295 1.00 0.00 H new ATOM 0 HA ASN A 119 11.197 -3.186 -16.401 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.740 -4.291 -15.979 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.019 -5.377 -17.150 1.00 0.00 H new ATOM 0 HD21 ASN A 119 13.610 -1.393 -18.160 1.00 0.00 H new ATOM 0 HD22 ASN A 119 13.324 -1.861 -16.480 1.00 0.00 H new ATOM 1903 N ASN A 120 10.773 -5.671 -17.820 1.00 0.00 N ATOM 1904 CA ASN A 120 9.926 -6.704 -18.404 1.00 0.00 C ATOM 1905 C ASN A 120 8.462 -6.249 -18.480 1.00 0.00 C ATOM 1906 O ASN A 120 8.124 -5.524 -19.437 1.00 0.00 O ATOM 1907 CB ASN A 120 10.062 -8.005 -17.609 1.00 0.00 C ATOM 1908 CG ASN A 120 9.347 -9.175 -18.263 1.00 0.00 C ATOM 1909 OD1 ASN A 120 9.746 -9.643 -19.328 1.00 0.00 O ATOM 1910 ND2 ASN A 120 8.284 -9.654 -17.625 1.00 0.00 N ATOM 1911 OXT ASN A 120 7.668 -6.615 -17.586 1.00 0.00 O ATOM 0 H ASN A 120 11.488 -5.314 -18.454 1.00 0.00 H new ATOM 0 HA ASN A 120 10.259 -6.886 -19.426 1.00 0.00 H new ATOM 0 HB2 ASN A 120 11.119 -8.248 -17.497 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.662 -7.856 -16.606 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.765 -10.440 -18.017 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.987 -9.236 -16.743 1.00 0.00 H new TER 1918 ASN A 120