USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 735 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 69 TYR OH : rot -26:sc= -4.21! USER MOD Set 1.2: C 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: C 109 TYR OH : rot -32:sc= -3.63! USER MOD Set 3.1: A 29 TYR OH : rot -33:sc= -4.14! USER MOD Set 3.2: B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.7) USER MOD Single : A 20 GLN : amide:sc= -1.01 X(o=-1,f=-1) USER MOD Single : A 21 HIS : no HD1:sc= -3.45! C(o=-3.5!,f=-7.4!) USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= -0.0312 (180deg=-0.191) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 GLN : amide:sc=-0.000401 X(o=-0.0004,f=0) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 GLN : amide:sc= -0.481 K(o=-0.48,f=-2.1!) USER MOD Single : B 60 GLN : amide:sc= -1.16! C(o=-1.2!,f=-1.2!) USER MOD Single : B 61 HIS : no HE2:sc= -3.28! C(o=-3.3!,f=-7.3!) USER MOD Single : B 63 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 71 LYS NZ :NH3+ -167:sc= -0.0345 (180deg=-0.224) USER MOD Single : C 87 SER OG : rot 180:sc= 0 USER MOD Single : C 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 98 GLN : amide:sc= -0.495 K(o=-0.5,f=-2.1!) USER MOD Single : C 100 GLN : amide:sc= -1.5! C(o=-1.5!,f=-1.5!) USER MOD Single : C 101 HIS : no HE2:sc= -3.54! C(o=-3.5!,f=-8!) USER MOD Single : C 103 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : C 107 SER OG : rot 180:sc= 0 USER MOD Single : C 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 111 LYS NZ :NH3+ -166:sc= -0.0212 (180deg=-0.201) USER MOD ----------------------------------------------------------------- ATOM 55 N VAL A 5 -4.471 -23.110 5.983 1.00 0.00 N ATOM 56 CA VAL A 5 -4.630 -22.660 4.610 1.00 0.00 C ATOM 57 C VAL A 5 -5.750 -21.625 4.555 1.00 0.00 C ATOM 58 O VAL A 5 -5.596 -20.556 3.967 1.00 0.00 O ATOM 59 CB VAL A 5 -4.939 -23.843 3.667 1.00 0.00 C ATOM 60 CG1 VAL A 5 -5.253 -23.378 2.253 1.00 0.00 C ATOM 61 CG2 VAL A 5 -3.774 -24.817 3.655 1.00 0.00 C ATOM 0 HA VAL A 5 -3.696 -22.210 4.273 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.828 -24.346 4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.464 -24.243 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.123 -22.721 2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.397 -22.836 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.001 -25.648 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.876 -24.306 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.607 -25.197 4.663 1.00 0.00 H new ATOM 71 N ALA A 6 -6.867 -21.936 5.211 1.00 0.00 N ATOM 72 CA ALA A 6 -8.000 -21.016 5.270 1.00 0.00 C ATOM 73 C ALA A 6 -7.665 -19.829 6.163 1.00 0.00 C ATOM 74 O ALA A 6 -8.216 -18.743 6.006 1.00 0.00 O ATOM 75 CB ALA A 6 -9.248 -21.723 5.772 1.00 0.00 C ATOM 0 H ALA A 6 -7.011 -22.815 5.707 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.201 -20.653 4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.077 -21.016 5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.498 -22.543 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.065 -22.118 6.772 1.00 0.00 H new ATOM 81 N SER A 7 -6.737 -20.030 7.089 1.00 0.00 N ATOM 82 CA SER A 7 -6.314 -18.962 7.977 1.00 0.00 C ATOM 83 C SER A 7 -5.450 -17.969 7.208 1.00 0.00 C ATOM 84 O SER A 7 -5.275 -16.819 7.609 1.00 0.00 O ATOM 85 CB SER A 7 -5.544 -19.516 9.170 1.00 0.00 C ATOM 86 OG SER A 7 -6.369 -20.359 9.958 1.00 0.00 O ATOM 0 H SER A 7 -6.265 -20.921 7.243 1.00 0.00 H new ATOM 0 HA SER A 7 -7.201 -18.454 8.356 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.676 -20.074 8.820 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.170 -18.694 9.780 1.00 0.00 H new ATOM 0 HG SER A 7 -5.854 -20.704 10.717 1.00 0.00 H new ATOM 92 N LEU A 8 -4.936 -18.414 6.074 1.00 0.00 N ATOM 93 CA LEU A 8 -4.134 -17.553 5.233 1.00 0.00 C ATOM 94 C LEU A 8 -5.067 -16.647 4.440 1.00 0.00 C ATOM 95 O LEU A 8 -4.676 -15.596 3.950 1.00 0.00 O ATOM 96 CB LEU A 8 -3.237 -18.378 4.308 1.00 0.00 C ATOM 97 CG LEU A 8 -2.438 -17.568 3.291 1.00 0.00 C ATOM 98 CD1 LEU A 8 -1.495 -16.604 3.993 1.00 0.00 C ATOM 99 CD2 LEU A 8 -1.659 -18.486 2.366 1.00 0.00 C ATOM 0 H LEU A 8 -5.061 -19.362 5.719 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.476 -16.941 5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.541 -18.952 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.857 -19.096 3.771 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.142 -16.990 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.935 -16.037 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.072 -15.918 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.801 -17.165 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.097 -17.888 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.969 -19.093 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.351 -19.137 1.832 1.00 0.00 H new ATOM 111 N ARG A 9 -6.321 -17.064 4.364 1.00 0.00 N ATOM 112 CA ARG A 9 -7.365 -16.307 3.687 1.00 0.00 C ATOM 113 C ARG A 9 -7.695 -15.064 4.506 1.00 0.00 C ATOM 114 O ARG A 9 -7.819 -13.971 3.971 1.00 0.00 O ATOM 115 CB ARG A 9 -8.633 -17.159 3.553 1.00 0.00 C ATOM 116 CG ARG A 9 -8.660 -18.150 2.393 1.00 0.00 C ATOM 117 CD ARG A 9 -7.311 -18.787 2.096 1.00 0.00 C ATOM 118 NE ARG A 9 -7.343 -19.580 0.864 1.00 0.00 N ATOM 119 CZ ARG A 9 -7.972 -20.755 0.744 1.00 0.00 C ATOM 120 NH1 ARG A 9 -8.550 -21.307 1.805 1.00 0.00 N ATOM 121 NH2 ARG A 9 -8.006 -21.379 -0.429 1.00 0.00 N ATOM 0 H ARG A 9 -6.646 -17.941 4.772 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.011 -16.025 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.772 -17.714 4.481 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.487 -16.489 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.381 -18.936 2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.014 -17.638 1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.553 -18.009 2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.018 -19.424 2.931 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.855 -19.213 0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.514 -20.835 2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.030 -22.203 1.716 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.552 -20.962 -1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.486 -22.275 -0.517 1.00 0.00 H new ATOM 135 N GLN A 10 -7.821 -15.234 5.817 1.00 0.00 N ATOM 136 CA GLN A 10 -8.114 -14.106 6.701 1.00 0.00 C ATOM 137 C GLN A 10 -6.897 -13.193 6.800 1.00 0.00 C ATOM 138 O GLN A 10 -7.026 -11.976 6.911 1.00 0.00 O ATOM 139 CB GLN A 10 -8.528 -14.590 8.095 1.00 0.00 C ATOM 140 CG GLN A 10 -7.736 -15.789 8.585 1.00 0.00 C ATOM 141 CD GLN A 10 -7.719 -15.909 10.093 1.00 0.00 C ATOM 142 OE1 GLN A 10 -8.761 -16.047 10.729 1.00 0.00 O ATOM 143 NE2 GLN A 10 -6.532 -15.863 10.677 1.00 0.00 N ATOM 0 H GLN A 10 -7.726 -16.132 6.291 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.948 -13.547 6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.408 -13.772 8.805 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.587 -14.847 8.081 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.161 -16.697 8.158 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.712 -15.715 8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.690 -15.747 10.113 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.459 -15.943 11.691 1.00 0.00 H new ATOM 152 N GLN A 11 -5.713 -13.795 6.745 1.00 0.00 N ATOM 153 CA GLN A 11 -4.465 -13.044 6.813 1.00 0.00 C ATOM 154 C GLN A 11 -4.265 -12.229 5.539 1.00 0.00 C ATOM 155 O GLN A 11 -3.656 -11.156 5.550 1.00 0.00 O ATOM 156 CB GLN A 11 -3.292 -14.012 7.003 1.00 0.00 C ATOM 157 CG GLN A 11 -1.964 -13.330 7.280 1.00 0.00 C ATOM 158 CD GLN A 11 -0.828 -14.317 7.451 1.00 0.00 C ATOM 159 OE1 GLN A 11 -0.880 -15.195 8.314 1.00 0.00 O ATOM 160 NE2 GLN A 11 0.205 -14.182 6.629 1.00 0.00 N ATOM 0 H GLN A 11 -5.592 -14.804 6.653 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.510 -12.359 7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.521 -14.686 7.828 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.193 -14.626 6.108 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.730 -12.651 6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.052 -12.723 8.181 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.206 -13.440 5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.998 -14.820 6.697 1.00 0.00 H new ATOM 169 N VAL A 12 -4.771 -12.756 4.437 1.00 0.00 N ATOM 170 CA VAL A 12 -4.643 -12.108 3.148 1.00 0.00 C ATOM 171 C VAL A 12 -5.672 -10.983 3.019 1.00 0.00 C ATOM 172 O VAL A 12 -5.397 -9.947 2.411 1.00 0.00 O ATOM 173 CB VAL A 12 -4.753 -13.170 2.016 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.183 -13.481 1.634 1.00 0.00 C ATOM 175 CG2 VAL A 12 -3.955 -12.799 0.796 1.00 0.00 C ATOM 0 H VAL A 12 -5.279 -13.640 4.413 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.662 -11.642 3.056 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.321 -14.078 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.193 -14.228 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.716 -13.867 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.672 -12.572 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.067 -13.574 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.316 -11.850 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.903 -12.704 1.064 1.00 0.00 H new ATOM 185 N GLU A 13 -6.830 -11.156 3.659 1.00 0.00 N ATOM 186 CA GLU A 13 -7.853 -10.115 3.666 1.00 0.00 C ATOM 187 C GLU A 13 -7.419 -9.028 4.638 1.00 0.00 C ATOM 188 O GLU A 13 -7.855 -7.882 4.554 1.00 0.00 O ATOM 189 CB GLU A 13 -9.217 -10.682 4.063 1.00 0.00 C ATOM 190 CG GLU A 13 -9.732 -11.728 3.086 1.00 0.00 C ATOM 191 CD GLU A 13 -11.140 -12.183 3.380 1.00 0.00 C ATOM 192 OE1 GLU A 13 -12.057 -11.341 3.333 1.00 0.00 O ATOM 193 OE2 GLU A 13 -11.332 -13.382 3.654 1.00 0.00 O ATOM 0 H GLU A 13 -7.079 -12.000 4.174 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.959 -9.701 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.145 -11.125 5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.938 -9.867 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.694 -11.320 2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.067 -12.592 3.107 1.00 0.00 H new ATOM 200 N ALA A 14 -6.519 -9.414 5.540 1.00 0.00 N ATOM 201 CA ALA A 14 -5.957 -8.505 6.526 1.00 0.00 C ATOM 202 C ALA A 14 -5.044 -7.515 5.831 1.00 0.00 C ATOM 203 O ALA A 14 -5.181 -6.303 5.982 1.00 0.00 O ATOM 204 CB ALA A 14 -5.169 -9.286 7.559 1.00 0.00 C ATOM 0 H ALA A 14 -6.161 -10.367 5.605 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.765 -7.970 7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.751 -8.598 8.294 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.828 -9.995 8.059 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.360 -9.827 7.067 1.00 0.00 H new ATOM 210 N LEU A 15 -4.123 -8.061 5.039 1.00 0.00 N ATOM 211 CA LEU A 15 -3.183 -7.258 4.270 1.00 0.00 C ATOM 212 C LEU A 15 -3.959 -6.413 3.265 1.00 0.00 C ATOM 213 O LEU A 15 -3.570 -5.291 2.934 1.00 0.00 O ATOM 214 CB LEU A 15 -2.180 -8.173 3.558 1.00 0.00 C ATOM 215 CG LEU A 15 -1.051 -7.462 2.813 1.00 0.00 C ATOM 216 CD1 LEU A 15 -0.338 -6.469 3.715 1.00 0.00 C ATOM 217 CD2 LEU A 15 -0.067 -8.468 2.241 1.00 0.00 C ATOM 0 H LEU A 15 -4.010 -9.067 4.915 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.626 -6.596 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.739 -8.843 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.724 -8.796 2.848 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.495 -6.906 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.460 -5.979 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.049 -5.720 4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.087 -6.994 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.728 -7.940 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.363 -9.058 3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.585 -9.129 1.546 1.00 0.00 H new ATOM 229 N GLN A 16 -5.093 -6.957 2.824 1.00 0.00 N ATOM 230 CA GLN A 16 -5.979 -6.262 1.898 1.00 0.00 C ATOM 231 C GLN A 16 -6.540 -5.015 2.569 1.00 0.00 C ATOM 232 O GLN A 16 -6.634 -3.953 1.960 1.00 0.00 O ATOM 233 CB GLN A 16 -7.111 -7.198 1.463 1.00 0.00 C ATOM 234 CG GLN A 16 -8.359 -6.480 0.984 1.00 0.00 C ATOM 235 CD GLN A 16 -9.326 -7.412 0.288 1.00 0.00 C ATOM 236 OE1 GLN A 16 -9.875 -8.324 0.905 1.00 0.00 O ATOM 237 NE2 GLN A 16 -9.530 -7.202 -1.001 1.00 0.00 N ATOM 0 H GLN A 16 -5.419 -7.884 3.097 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.420 -5.961 1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.747 -7.844 0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.375 -7.844 2.300 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.856 -6.013 1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.075 -5.679 0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.054 -6.434 -1.474 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.163 -7.808 -1.523 1.00 0.00 H new ATOM 246 N GLY A 17 -6.883 -5.163 3.843 1.00 0.00 N ATOM 247 CA GLY A 17 -7.402 -4.057 4.623 1.00 0.00 C ATOM 248 C GLY A 17 -6.376 -2.955 4.770 1.00 0.00 C ATOM 249 O GLY A 17 -6.716 -1.776 4.905 1.00 0.00 O ATOM 0 H GLY A 17 -6.809 -6.042 4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.297 -3.661 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.699 -4.413 5.609 1.00 0.00 H new ATOM 253 N GLN A 18 -5.108 -3.329 4.714 1.00 0.00 N ATOM 254 CA GLN A 18 -4.036 -2.358 4.816 1.00 0.00 C ATOM 255 C GLN A 18 -3.969 -1.520 3.548 1.00 0.00 C ATOM 256 O GLN A 18 -3.800 -0.311 3.602 1.00 0.00 O ATOM 257 CB GLN A 18 -2.697 -3.054 5.053 1.00 0.00 C ATOM 258 CG GLN A 18 -2.668 -3.948 6.280 1.00 0.00 C ATOM 259 CD GLN A 18 -2.793 -3.177 7.581 1.00 0.00 C ATOM 260 OE1 GLN A 18 -3.827 -2.565 7.862 1.00 0.00 O ATOM 261 NE2 GLN A 18 -1.738 -3.190 8.383 1.00 0.00 N ATOM 0 H GLN A 18 -4.799 -4.294 4.599 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.242 -1.706 5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.451 -3.652 4.176 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.919 -2.297 5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.480 -4.672 6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.736 -4.514 6.288 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.901 -3.708 8.116 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.763 -2.682 9.267 1.00 0.00 H new ATOM 270 N VAL A 19 -4.110 -2.163 2.407 1.00 0.00 N ATOM 271 CA VAL A 19 -4.062 -1.453 1.143 1.00 0.00 C ATOM 272 C VAL A 19 -5.301 -0.586 0.933 1.00 0.00 C ATOM 273 O VAL A 19 -5.199 0.522 0.401 1.00 0.00 O ATOM 274 CB VAL A 19 -3.876 -2.445 -0.031 1.00 0.00 C ATOM 275 CG1 VAL A 19 -4.470 -1.920 -1.326 1.00 0.00 C ATOM 276 CG2 VAL A 19 -2.405 -2.780 -0.210 1.00 0.00 C ATOM 0 H VAL A 19 -4.258 -3.169 2.327 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.201 -0.785 1.172 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.419 -3.356 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.315 -2.650 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.538 -1.750 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.984 -0.982 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.289 -3.478 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.847 -1.868 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.022 -3.234 0.704 1.00 0.00 H new ATOM 286 N GLN A 20 -6.465 -1.067 1.350 1.00 0.00 N ATOM 287 CA GLN A 20 -7.689 -0.293 1.188 1.00 0.00 C ATOM 288 C GLN A 20 -7.633 0.989 2.013 1.00 0.00 C ATOM 289 O GLN A 20 -8.051 2.046 1.541 1.00 0.00 O ATOM 290 CB GLN A 20 -8.931 -1.104 1.563 1.00 0.00 C ATOM 291 CG GLN A 20 -8.901 -1.678 2.963 1.00 0.00 C ATOM 292 CD GLN A 20 -10.218 -2.313 3.358 1.00 0.00 C ATOM 293 OE1 GLN A 20 -10.626 -3.326 2.787 1.00 0.00 O ATOM 294 NE2 GLN A 20 -10.898 -1.718 4.323 1.00 0.00 N ATOM 0 H GLN A 20 -6.588 -1.976 1.797 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.765 -0.033 0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.810 -0.467 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.046 -1.921 0.850 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.108 -2.423 3.030 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.656 -0.887 3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.523 -0.881 4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.797 -2.096 4.621 1.00 0.00 H new ATOM 303 N HIS A 21 -7.111 0.912 3.240 1.00 0.00 N ATOM 304 CA HIS A 21 -7.030 2.112 4.065 1.00 0.00 C ATOM 305 C HIS A 21 -5.820 2.958 3.656 1.00 0.00 C ATOM 306 O HIS A 21 -5.774 4.149 3.939 1.00 0.00 O ATOM 307 CB HIS A 21 -7.039 1.805 5.571 1.00 0.00 C ATOM 308 CG HIS A 21 -5.710 1.540 6.156 1.00 0.00 C ATOM 309 ND1 HIS A 21 -5.046 0.381 5.951 1.00 0.00 N ATOM 310 CD2 HIS A 21 -4.898 2.323 6.910 1.00 0.00 C ATOM 311 CE1 HIS A 21 -3.873 0.470 6.553 1.00 0.00 C ATOM 312 NE2 HIS A 21 -3.721 1.626 7.160 1.00 0.00 N ATOM 0 H HIS A 21 -6.750 0.060 3.670 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.933 2.695 3.883 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.491 2.646 6.096 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.677 0.939 5.747 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -5.127 3.320 7.257 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.129 -0.313 6.547 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -2.914 1.943 7.698 1.00 0.00 H new ATOM 320 N LEU A 22 -4.868 2.356 2.931 1.00 0.00 N ATOM 321 CA LEU A 22 -3.723 3.116 2.442 1.00 0.00 C ATOM 322 C LEU A 22 -4.213 4.031 1.340 1.00 0.00 C ATOM 323 O LEU A 22 -3.803 5.184 1.247 1.00 0.00 O ATOM 324 CB LEU A 22 -2.593 2.229 1.905 1.00 0.00 C ATOM 325 CG LEU A 22 -1.703 1.584 2.965 1.00 0.00 C ATOM 326 CD1 LEU A 22 -0.373 1.166 2.361 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.479 2.527 4.128 1.00 0.00 C ATOM 0 H LEU A 22 -4.870 1.368 2.677 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.304 3.674 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.033 1.440 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.966 2.829 1.245 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.211 0.695 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.248 0.708 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.547 0.447 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.135 2.042 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.842 2.045 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.996 3.437 3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.437 2.779 4.582 1.00 0.00 H new ATOM 339 N GLN A 23 -5.134 3.510 0.530 1.00 0.00 N ATOM 340 CA GLN A 23 -5.732 4.288 -0.542 1.00 0.00 C ATOM 341 C GLN A 23 -6.701 5.283 0.071 1.00 0.00 C ATOM 342 O GLN A 23 -6.944 6.351 -0.478 1.00 0.00 O ATOM 343 CB GLN A 23 -6.488 3.397 -1.529 1.00 0.00 C ATOM 344 CG GLN A 23 -5.651 2.300 -2.150 1.00 0.00 C ATOM 345 CD GLN A 23 -6.456 1.449 -3.112 1.00 0.00 C ATOM 346 OE1 GLN A 23 -6.577 0.164 -2.811 1.00 0.00 O flip ATOM 347 NE2 GLN A 23 -6.980 1.952 -4.106 1.00 0.00 N flip ATOM 0 H GLN A 23 -5.479 2.553 0.600 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.938 4.797 -1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.335 2.944 -1.015 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.895 4.021 -2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.806 2.743 -2.677 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.240 1.668 -1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.860 2.947 -4.298 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.535 1.374 -4.738 1.00 0.00 H new ATOM 356 N ALA A 24 -7.236 4.907 1.235 1.00 0.00 N ATOM 357 CA ALA A 24 -8.162 5.751 1.978 1.00 0.00 C ATOM 358 C ALA A 24 -7.476 7.057 2.321 1.00 0.00 C ATOM 359 O ALA A 24 -7.937 8.132 1.948 1.00 0.00 O ATOM 360 CB ALA A 24 -8.609 5.057 3.256 1.00 0.00 C ATOM 0 H ALA A 24 -7.038 4.013 1.683 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.041 5.943 1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.300 5.702 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.107 4.120 3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.740 4.850 3.881 1.00 0.00 H new ATOM 366 N ALA A 25 -6.345 6.943 3.008 1.00 0.00 N ATOM 367 CA ALA A 25 -5.561 8.105 3.376 1.00 0.00 C ATOM 368 C ALA A 25 -5.085 8.805 2.114 1.00 0.00 C ATOM 369 O ALA A 25 -5.161 10.025 1.999 1.00 0.00 O ATOM 370 CB ALA A 25 -4.378 7.696 4.243 1.00 0.00 C ATOM 0 H ALA A 25 -5.954 6.054 3.320 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.179 8.791 3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.800 8.581 4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.741 7.212 5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.745 7.002 3.690 1.00 0.00 H new ATOM 376 N PHE A 26 -4.618 8.002 1.161 1.00 0.00 N ATOM 377 CA PHE A 26 -4.129 8.496 -0.124 1.00 0.00 C ATOM 378 C PHE A 26 -5.151 9.384 -0.819 1.00 0.00 C ATOM 379 O PHE A 26 -4.780 10.215 -1.618 1.00 0.00 O ATOM 380 CB PHE A 26 -3.807 7.323 -1.053 1.00 0.00 C ATOM 381 CG PHE A 26 -2.384 7.266 -1.532 1.00 0.00 C ATOM 382 CD1 PHE A 26 -1.600 8.412 -1.592 1.00 0.00 C ATOM 383 CD2 PHE A 26 -1.833 6.058 -1.948 1.00 0.00 C ATOM 384 CE1 PHE A 26 -0.301 8.349 -2.050 1.00 0.00 C ATOM 385 CE2 PHE A 26 -0.532 5.997 -2.409 1.00 0.00 C ATOM 386 CZ PHE A 26 0.233 7.144 -2.458 1.00 0.00 C ATOM 0 H PHE A 26 -4.568 6.988 1.258 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.234 9.082 0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.037 6.393 -0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.465 7.375 -1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.012 9.360 -1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.429 5.158 -1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.300 9.245 -2.089 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.115 5.054 -2.730 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.251 7.099 -2.816 1.00 0.00 H new ATOM 396 N SER A 27 -6.436 9.193 -0.529 1.00 0.00 N ATOM 397 CA SER A 27 -7.493 9.984 -1.160 1.00 0.00 C ATOM 398 C SER A 27 -7.245 11.484 -0.992 1.00 0.00 C ATOM 399 O SER A 27 -7.512 12.272 -1.904 1.00 0.00 O ATOM 400 CB SER A 27 -8.858 9.595 -0.584 1.00 0.00 C ATOM 401 OG SER A 27 -9.912 10.240 -1.279 1.00 0.00 O ATOM 0 H SER A 27 -6.772 8.498 0.138 1.00 0.00 H new ATOM 0 HA SER A 27 -7.485 9.767 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.987 8.514 -0.645 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.899 9.861 0.472 1.00 0.00 H new ATOM 0 HG SER A 27 -10.771 9.972 -0.891 1.00 0.00 H new ATOM 407 N GLN A 28 -6.720 11.881 0.163 1.00 0.00 N ATOM 408 CA GLN A 28 -6.436 13.287 0.415 1.00 0.00 C ATOM 409 C GLN A 28 -5.038 13.666 -0.086 1.00 0.00 C ATOM 410 O GLN A 28 -4.834 14.762 -0.596 1.00 0.00 O ATOM 411 CB GLN A 28 -6.598 13.617 1.905 1.00 0.00 C ATOM 412 CG GLN A 28 -5.700 12.817 2.837 1.00 0.00 C ATOM 413 CD GLN A 28 -5.998 13.076 4.298 1.00 0.00 C ATOM 414 OE1 GLN A 28 -5.945 14.211 4.762 1.00 0.00 O ATOM 415 NE2 GLN A 28 -6.321 12.020 5.034 1.00 0.00 N ATOM 0 H GLN A 28 -6.485 11.254 0.932 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.159 13.882 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.397 14.678 2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.636 13.447 2.190 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.821 11.754 2.628 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.658 13.065 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.354 11.093 4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.537 12.135 6.024 1.00 0.00 H new ATOM 424 N TYR A 29 -4.082 12.752 0.049 1.00 0.00 N ATOM 425 CA TYR A 29 -2.708 13.005 -0.396 1.00 0.00 C ATOM 426 C TYR A 29 -2.612 12.962 -1.919 1.00 0.00 C ATOM 427 O TYR A 29 -1.685 13.504 -2.519 1.00 0.00 O ATOM 428 CB TYR A 29 -1.763 11.989 0.235 1.00 0.00 C ATOM 429 CG TYR A 29 -1.965 11.913 1.721 1.00 0.00 C ATOM 430 CD1 TYR A 29 -1.835 13.039 2.525 1.00 0.00 C ATOM 431 CD2 TYR A 29 -2.357 10.730 2.312 1.00 0.00 C ATOM 432 CE1 TYR A 29 -2.091 12.977 3.869 1.00 0.00 C ATOM 433 CE2 TYR A 29 -2.603 10.655 3.660 1.00 0.00 C ATOM 434 CZ TYR A 29 -2.477 11.781 4.435 1.00 0.00 C ATOM 435 OH TYR A 29 -2.755 11.716 5.773 1.00 0.00 O ATOM 0 H TYR A 29 -4.229 11.831 0.461 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.415 14.004 -0.073 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.931 11.008 -0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.731 12.265 0.019 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.528 13.976 2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.473 9.846 1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.991 13.860 4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.894 9.716 4.108 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.180 12.344 6.258 1.00 0.00 H new ATOM 445 N LYS A 30 -3.594 12.318 -2.524 1.00 0.00 N ATOM 446 CA LYS A 30 -3.689 12.187 -3.971 1.00 0.00 C ATOM 447 C LYS A 30 -3.889 13.563 -4.614 1.00 0.00 C ATOM 448 O LYS A 30 -3.292 13.871 -5.646 1.00 0.00 O ATOM 449 CB LYS A 30 -4.849 11.232 -4.320 1.00 0.00 C ATOM 450 CG LYS A 30 -5.312 11.281 -5.766 1.00 0.00 C ATOM 451 CD LYS A 30 -4.466 10.393 -6.651 1.00 0.00 C ATOM 452 CE LYS A 30 -4.862 10.515 -8.110 1.00 0.00 C ATOM 453 NZ LYS A 30 -3.906 9.803 -8.994 1.00 0.00 N ATOM 0 H LYS A 30 -4.357 11.866 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.763 11.769 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.542 10.212 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.697 11.464 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.354 10.968 -5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.266 12.308 -6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.415 10.659 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.569 9.356 -6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.863 10.108 -8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.904 11.568 -8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.206 9.906 -9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.956 10.209 -8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.885 8.794 -8.742 1.00 0.00 H new ATOM 467 N LYS A 31 -4.709 14.398 -3.986 1.00 0.00 N ATOM 468 CA LYS A 31 -4.954 15.739 -4.495 1.00 0.00 C ATOM 469 C LYS A 31 -4.036 16.748 -3.809 1.00 0.00 C ATOM 470 O LYS A 31 -4.380 17.915 -3.627 1.00 0.00 O ATOM 471 CB LYS A 31 -6.438 16.119 -4.345 1.00 0.00 C ATOM 472 CG LYS A 31 -7.052 15.804 -2.983 1.00 0.00 C ATOM 473 CD LYS A 31 -6.746 16.875 -1.948 1.00 0.00 C ATOM 474 CE LYS A 31 -7.385 16.549 -0.605 1.00 0.00 C ATOM 475 NZ LYS A 31 -8.870 16.518 -0.682 1.00 0.00 N ATOM 0 H LYS A 31 -5.212 14.170 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.723 15.755 -5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.545 17.187 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.010 15.599 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.132 15.703 -3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.675 14.844 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.667 16.967 -1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.111 17.839 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.021 15.583 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.077 17.291 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.267 16.513 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.209 17.358 -1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.174 15.661 -1.187 1.00 0.00 H new ATOM 489 N VAL A 32 -2.852 16.280 -3.446 1.00 0.00 N ATOM 490 CA VAL A 32 -1.864 17.119 -2.795 1.00 0.00 C ATOM 491 C VAL A 32 -0.875 17.690 -3.809 1.00 0.00 C ATOM 492 O VAL A 32 -0.528 18.870 -3.741 1.00 0.00 O ATOM 493 CB VAL A 32 -1.135 16.341 -1.678 1.00 0.00 C ATOM 494 CG1 VAL A 32 0.195 16.975 -1.302 1.00 0.00 C ATOM 495 CG2 VAL A 32 -2.030 16.259 -0.456 1.00 0.00 C ATOM 0 H VAL A 32 -2.553 15.316 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.384 17.959 -2.333 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.919 15.342 -2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.667 16.390 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.847 16.999 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.026 17.992 -0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.518 15.710 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.262 17.265 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.954 15.743 -0.716 1.00 0.00 H new ATOM 505 N GLU A 33 -0.438 16.884 -4.774 1.00 0.00 N ATOM 506 CA GLU A 33 0.474 17.405 -5.776 1.00 0.00 C ATOM 507 C GLU A 33 -0.258 17.679 -7.062 1.00 0.00 C ATOM 508 O GLU A 33 -0.592 16.775 -7.834 1.00 0.00 O ATOM 509 CB GLU A 33 1.647 16.501 -6.066 1.00 0.00 C ATOM 510 CG GLU A 33 2.757 17.226 -6.812 1.00 0.00 C ATOM 511 CD GLU A 33 3.634 16.309 -7.629 1.00 0.00 C ATOM 512 OE1 GLU A 33 3.333 15.107 -7.709 1.00 0.00 O ATOM 513 OE2 GLU A 33 4.617 16.802 -8.213 1.00 0.00 O ATOM 0 H GLU A 33 -0.692 15.902 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 33 0.875 18.326 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.039 16.105 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.310 15.649 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.313 17.973 -7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.376 17.762 -6.093 1.00 0.00 H new ATOM 520 N LEU A 34 -0.492 18.942 -7.252 1.00 0.00 N ATOM 521 CA LEU A 34 -1.189 19.469 -8.411 1.00 0.00 C ATOM 522 C LEU A 34 -1.117 20.994 -8.424 1.00 0.00 C ATOM 523 O LEU A 34 -1.041 21.608 -9.487 1.00 0.00 O ATOM 524 CB LEU A 34 -2.633 18.941 -8.480 1.00 0.00 C ATOM 525 CG LEU A 34 -3.599 19.219 -7.312 1.00 0.00 C ATOM 526 CD1 LEU A 34 -4.516 18.033 -7.151 1.00 0.00 C ATOM 527 CD2 LEU A 34 -2.952 19.527 -5.977 1.00 0.00 C ATOM 0 H LEU A 34 -0.200 19.664 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.691 19.114 -9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.087 19.348 -9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.580 17.860 -8.610 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.131 20.130 -7.586 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.206 18.216 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.081 17.882 -8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.925 17.142 -6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.726 19.706 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.337 18.682 -5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.327 20.415 -6.072 1.00 0.00 H new ATOM 676 N VAL B 45 2.740 -24.116 -0.840 1.00 0.00 N ATOM 677 CA VAL B 45 1.723 -23.517 0.005 1.00 0.00 C ATOM 678 C VAL B 45 2.404 -22.679 1.082 1.00 0.00 C ATOM 679 O VAL B 45 2.035 -21.529 1.315 1.00 0.00 O ATOM 680 CB VAL B 45 0.814 -24.593 0.642 1.00 0.00 C ATOM 681 CG1 VAL B 45 -0.171 -23.987 1.629 1.00 0.00 C ATOM 682 CG2 VAL B 45 0.067 -25.359 -0.437 1.00 0.00 C ATOM 0 HA VAL B 45 1.085 -22.879 -0.607 1.00 0.00 H new ATOM 0 HB VAL B 45 1.456 -25.281 1.193 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -0.791 -24.776 2.055 1.00 0.00 H new ATOM 0 HG12 VAL B 45 0.376 -23.485 2.427 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -0.805 -23.265 1.114 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -0.569 -26.113 0.026 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -0.549 -24.669 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL B 45 0.783 -25.845 -1.100 1.00 0.00 H new ATOM 692 N ALA B 46 3.432 -23.250 1.703 1.00 0.00 N ATOM 693 CA ALA B 46 4.197 -22.546 2.725 1.00 0.00 C ATOM 694 C ALA B 46 5.041 -21.453 2.084 1.00 0.00 C ATOM 695 O ALA B 46 5.394 -20.466 2.724 1.00 0.00 O ATOM 696 CB ALA B 46 5.072 -23.519 3.501 1.00 0.00 C ATOM 0 H ALA B 46 3.754 -24.199 1.515 1.00 0.00 H new ATOM 0 HA ALA B 46 3.504 -22.082 3.427 1.00 0.00 H new ATOM 0 HB1 ALA B 46 5.636 -22.976 4.260 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.444 -24.268 3.983 1.00 0.00 H new ATOM 0 HB3 ALA B 46 5.764 -24.011 2.817 1.00 0.00 H new ATOM 702 N SER B 47 5.341 -21.619 0.804 1.00 0.00 N ATOM 703 CA SER B 47 6.113 -20.623 0.076 1.00 0.00 C ATOM 704 C SER B 47 5.238 -19.411 -0.223 1.00 0.00 C ATOM 705 O SER B 47 5.726 -18.312 -0.483 1.00 0.00 O ATOM 706 CB SER B 47 6.677 -21.200 -1.219 1.00 0.00 C ATOM 707 OG SER B 47 7.588 -22.258 -0.950 1.00 0.00 O ATOM 0 H SER B 47 5.063 -22.430 0.251 1.00 0.00 H new ATOM 0 HA SER B 47 6.953 -20.317 0.699 1.00 0.00 H new ATOM 0 HB2 SER B 47 5.862 -21.567 -1.843 1.00 0.00 H new ATOM 0 HB3 SER B 47 7.182 -20.415 -1.782 1.00 0.00 H new ATOM 0 HG SER B 47 7.935 -22.613 -1.795 1.00 0.00 H new ATOM 713 N LEU B 48 3.934 -19.604 -0.145 1.00 0.00 N ATOM 714 CA LEU B 48 3.007 -18.512 -0.363 1.00 0.00 C ATOM 715 C LEU B 48 2.943 -17.677 0.909 1.00 0.00 C ATOM 716 O LEU B 48 2.542 -16.522 0.897 1.00 0.00 O ATOM 717 CB LEU B 48 1.625 -19.046 -0.746 1.00 0.00 C ATOM 718 CG LEU B 48 0.536 -17.988 -0.876 1.00 0.00 C ATOM 719 CD1 LEU B 48 0.884 -16.998 -1.979 1.00 0.00 C ATOM 720 CD2 LEU B 48 -0.812 -18.636 -1.152 1.00 0.00 C ATOM 0 H LEU B 48 3.496 -20.501 0.066 1.00 0.00 H new ATOM 0 HA LEU B 48 3.350 -17.889 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU B 48 1.708 -19.578 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU B 48 1.314 -19.775 0.002 1.00 0.00 H new ATOM 0 HG LEU B 48 0.471 -17.447 0.068 1.00 0.00 H new ATOM 0 HD11 LEU B 48 0.096 -16.249 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU B 48 1.828 -16.507 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU B 48 0.978 -17.528 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -1.576 -17.863 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -0.759 -19.203 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -1.068 -19.306 -0.332 1.00 0.00 H new ATOM 732 N ARG B 49 3.390 -18.284 1.998 1.00 0.00 N ATOM 733 CA ARG B 49 3.453 -17.631 3.301 1.00 0.00 C ATOM 734 C ARG B 49 4.558 -16.577 3.282 1.00 0.00 C ATOM 735 O ARG B 49 4.372 -15.462 3.748 1.00 0.00 O ATOM 736 CB ARG B 49 3.765 -18.660 4.396 1.00 0.00 C ATOM 737 CG ARG B 49 2.585 -19.472 4.917 1.00 0.00 C ATOM 738 CD ARG B 49 1.574 -19.845 3.846 1.00 0.00 C ATOM 739 NE ARG B 49 0.375 -20.458 4.430 1.00 0.00 N ATOM 740 CZ ARG B 49 0.336 -21.690 4.953 1.00 0.00 C ATOM 741 NH1 ARG B 49 1.411 -22.474 4.901 1.00 0.00 N ATOM 742 NH2 ARG B 49 -0.774 -22.131 5.537 1.00 0.00 N ATOM 0 H ARG B 49 3.721 -19.249 2.005 1.00 0.00 H new ATOM 0 HA ARG B 49 2.490 -17.165 3.510 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.513 -19.353 4.011 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.218 -18.137 5.238 1.00 0.00 H new ATOM 0 HG2 ARG B 49 2.961 -20.384 5.381 1.00 0.00 H new ATOM 0 HG3 ARG B 49 2.080 -18.902 5.697 1.00 0.00 H new ATOM 0 HD2 ARG B 49 1.292 -18.955 3.284 1.00 0.00 H new ATOM 0 HD3 ARG B 49 2.030 -20.537 3.138 1.00 0.00 H new ATOM 0 HE ARG B 49 -0.485 -19.909 4.438 1.00 0.00 H new ATOM 0 HH11 ARG B 49 2.268 -22.137 4.462 1.00 0.00 H new ATOM 0 HH12 ARG B 49 1.378 -23.412 5.300 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -1.597 -21.531 5.587 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -0.802 -23.070 5.935 1.00 0.00 H new ATOM 756 N GLN B 50 5.710 -16.935 2.724 1.00 0.00 N ATOM 757 CA GLN B 50 6.825 -15.998 2.631 1.00 0.00 C ATOM 758 C GLN B 50 6.504 -14.921 1.605 1.00 0.00 C ATOM 759 O GLN B 50 6.878 -13.763 1.768 1.00 0.00 O ATOM 760 CB GLN B 50 8.127 -16.719 2.257 1.00 0.00 C ATOM 761 CG GLN B 50 7.936 -17.822 1.237 1.00 0.00 C ATOM 762 CD GLN B 50 9.206 -18.152 0.479 1.00 0.00 C ATOM 763 OE1 GLN B 50 10.215 -18.533 1.070 1.00 0.00 O ATOM 764 NE2 GLN B 50 9.161 -18.011 -0.837 1.00 0.00 N ATOM 0 H GLN B 50 5.896 -17.858 2.333 1.00 0.00 H new ATOM 0 HA GLN B 50 6.970 -15.536 3.608 1.00 0.00 H new ATOM 0 HB2 GLN B 50 8.836 -15.991 1.864 1.00 0.00 H new ATOM 0 HB3 GLN B 50 8.571 -17.142 3.158 1.00 0.00 H new ATOM 0 HG2 GLN B 50 7.577 -18.719 1.742 1.00 0.00 H new ATOM 0 HG3 GLN B 50 7.163 -17.525 0.528 1.00 0.00 H new ATOM 0 HE21 GLN B 50 8.303 -17.692 -1.287 1.00 0.00 H new ATOM 0 HE22 GLN B 50 9.984 -18.221 -1.401 1.00 0.00 H new ATOM 773 N GLN B 51 5.792 -15.317 0.553 1.00 0.00 N ATOM 774 CA GLN B 51 5.398 -14.390 -0.501 1.00 0.00 C ATOM 775 C GLN B 51 4.364 -13.393 0.020 1.00 0.00 C ATOM 776 O GLN B 51 4.287 -12.251 -0.437 1.00 0.00 O ATOM 777 CB GLN B 51 4.820 -15.168 -1.685 1.00 0.00 C ATOM 778 CG GLN B 51 4.551 -14.316 -2.917 1.00 0.00 C ATOM 779 CD GLN B 51 3.943 -15.116 -4.050 1.00 0.00 C ATOM 780 OE1 GLN B 51 4.523 -16.098 -4.507 1.00 0.00 O ATOM 781 NE2 GLN B 51 2.775 -14.697 -4.516 1.00 0.00 N ATOM 0 H GLN B 51 5.476 -16.276 0.409 1.00 0.00 H new ATOM 0 HA GLN B 51 6.279 -13.837 -0.827 1.00 0.00 H new ATOM 0 HB2 GLN B 51 5.511 -15.967 -1.953 1.00 0.00 H new ATOM 0 HB3 GLN B 51 3.889 -15.643 -1.374 1.00 0.00 H new ATOM 0 HG2 GLN B 51 3.880 -13.499 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN B 51 5.484 -13.865 -3.254 1.00 0.00 H new ATOM 0 HE21 GLN B 51 2.328 -13.876 -4.107 1.00 0.00 H new ATOM 0 HE22 GLN B 51 2.324 -15.195 -5.283 1.00 0.00 H new ATOM 790 N VAL B 52 3.563 -13.839 0.970 1.00 0.00 N ATOM 791 CA VAL B 52 2.525 -13.011 1.545 1.00 0.00 C ATOM 792 C VAL B 52 3.123 -12.056 2.582 1.00 0.00 C ATOM 793 O VAL B 52 2.682 -10.913 2.709 1.00 0.00 O ATOM 794 CB VAL B 52 1.397 -13.918 2.117 1.00 0.00 C ATOM 795 CG1 VAL B 52 1.684 -14.410 3.518 1.00 0.00 C ATOM 796 CG2 VAL B 52 0.040 -13.264 2.054 1.00 0.00 C ATOM 0 H VAL B 52 3.615 -14.780 1.361 1.00 0.00 H new ATOM 0 HA VAL B 52 2.072 -12.382 0.779 1.00 0.00 H new ATOM 0 HB VAL B 52 1.379 -14.791 1.464 1.00 0.00 H new ATOM 0 HG11 VAL B 52 0.860 -15.037 3.859 1.00 0.00 H new ATOM 0 HG12 VAL B 52 2.606 -14.991 3.518 1.00 0.00 H new ATOM 0 HG13 VAL B 52 1.793 -13.557 4.188 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -0.709 -13.940 2.466 1.00 0.00 H new ATOM 0 HG22 VAL B 52 0.054 -12.341 2.634 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -0.207 -13.037 1.017 1.00 0.00 H new ATOM 806 N GLU B 53 4.180 -12.502 3.267 1.00 0.00 N ATOM 807 CA GLU B 53 4.874 -11.650 4.225 1.00 0.00 C ATOM 808 C GLU B 53 5.724 -10.647 3.450 1.00 0.00 C ATOM 809 O GLU B 53 6.088 -9.588 3.956 1.00 0.00 O ATOM 810 CB GLU B 53 5.745 -12.477 5.174 1.00 0.00 C ATOM 811 CG GLU B 53 4.954 -13.451 6.032 1.00 0.00 C ATOM 812 CD GLU B 53 5.799 -14.129 7.082 1.00 0.00 C ATOM 813 OE1 GLU B 53 6.365 -13.418 7.934 1.00 0.00 O ATOM 814 OE2 GLU B 53 5.905 -15.371 7.058 1.00 0.00 O ATOM 0 H GLU B 53 4.568 -13.441 3.174 1.00 0.00 H new ATOM 0 HA GLU B 53 4.143 -11.124 4.838 1.00 0.00 H new ATOM 0 HB2 GLU B 53 6.478 -13.033 4.589 1.00 0.00 H new ATOM 0 HB3 GLU B 53 6.302 -11.802 5.824 1.00 0.00 H new ATOM 0 HG2 GLU B 53 4.137 -12.918 6.519 1.00 0.00 H new ATOM 0 HG3 GLU B 53 4.503 -14.209 5.391 1.00 0.00 H new ATOM 821 N ALA B 54 5.996 -10.998 2.194 1.00 0.00 N ATOM 822 CA ALA B 54 6.756 -10.151 1.287 1.00 0.00 C ATOM 823 C ALA B 54 5.920 -8.943 0.917 1.00 0.00 C ATOM 824 O ALA B 54 6.350 -7.800 1.057 1.00 0.00 O ATOM 825 CB ALA B 54 7.118 -10.928 0.036 1.00 0.00 C ATOM 0 H ALA B 54 5.693 -11.880 1.780 1.00 0.00 H new ATOM 0 HA ALA B 54 7.674 -9.825 1.777 1.00 0.00 H new ATOM 0 HB1 ALA B 54 7.687 -10.288 -0.638 1.00 0.00 H new ATOM 0 HB2 ALA B 54 7.721 -11.795 0.308 1.00 0.00 H new ATOM 0 HB3 ALA B 54 6.207 -11.261 -0.462 1.00 0.00 H new ATOM 831 N LEU B 55 4.697 -9.220 0.466 1.00 0.00 N ATOM 832 CA LEU B 55 3.756 -8.174 0.097 1.00 0.00 C ATOM 833 C LEU B 55 3.428 -7.342 1.334 1.00 0.00 C ATOM 834 O LEU B 55 3.184 -6.135 1.253 1.00 0.00 O ATOM 835 CB LEU B 55 2.494 -8.805 -0.494 1.00 0.00 C ATOM 836 CG LEU B 55 1.465 -7.824 -1.056 1.00 0.00 C ATOM 837 CD1 LEU B 55 2.105 -6.846 -2.028 1.00 0.00 C ATOM 838 CD2 LEU B 55 0.319 -8.565 -1.720 1.00 0.00 C ATOM 0 H LEU B 55 4.337 -10.167 0.348 1.00 0.00 H new ATOM 0 HA LEU B 55 4.194 -7.521 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU B 55 2.790 -9.489 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU B 55 2.013 -9.405 0.279 1.00 0.00 H new ATOM 0 HG LEU B 55 1.065 -7.250 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU B 55 1.346 -6.163 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU B 55 2.880 -6.277 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU B 55 2.548 -7.396 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -0.400 -7.846 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU B 55 0.705 -9.175 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -0.172 -9.207 -0.988 1.00 0.00 H new ATOM 850 N GLN B 56 3.478 -8.002 2.488 1.00 0.00 N ATOM 851 CA GLN B 56 3.243 -7.348 3.771 1.00 0.00 C ATOM 852 C GLN B 56 4.328 -6.308 4.020 1.00 0.00 C ATOM 853 O GLN B 56 4.056 -5.208 4.499 1.00 0.00 O ATOM 854 CB GLN B 56 3.221 -8.388 4.901 1.00 0.00 C ATOM 855 CG GLN B 56 3.558 -7.826 6.264 1.00 0.00 C ATOM 856 CD GLN B 56 3.242 -8.788 7.385 1.00 0.00 C ATOM 857 OE1 GLN B 56 3.856 -9.846 7.494 1.00 0.00 O ATOM 858 NE2 GLN B 56 2.272 -8.433 8.211 1.00 0.00 N ATOM 0 H GLN B 56 3.681 -8.999 2.560 1.00 0.00 H new ATOM 0 HA GLN B 56 2.274 -6.849 3.749 1.00 0.00 H new ATOM 0 HB2 GLN B 56 2.231 -8.843 4.942 1.00 0.00 H new ATOM 0 HB3 GLN B 56 3.928 -9.183 4.663 1.00 0.00 H new ATOM 0 HG2 GLN B 56 4.618 -7.572 6.296 1.00 0.00 H new ATOM 0 HG3 GLN B 56 3.004 -6.900 6.418 1.00 0.00 H new ATOM 0 HE21 GLN B 56 1.791 -7.543 8.080 1.00 0.00 H new ATOM 0 HE22 GLN B 56 2.005 -9.049 8.979 1.00 0.00 H new ATOM 867 N GLY B 57 5.553 -6.666 3.657 1.00 0.00 N ATOM 868 CA GLY B 57 6.681 -5.768 3.805 1.00 0.00 C ATOM 869 C GLY B 57 6.538 -4.540 2.932 1.00 0.00 C ATOM 870 O GLY B 57 7.057 -3.466 3.248 1.00 0.00 O ATOM 0 H GLY B 57 5.787 -7.575 3.258 1.00 0.00 H new ATOM 0 HA2 GLY B 57 6.770 -5.464 4.848 1.00 0.00 H new ATOM 0 HA3 GLY B 57 7.600 -6.293 3.546 1.00 0.00 H new ATOM 874 N GLN B 58 5.812 -4.687 1.841 1.00 0.00 N ATOM 875 CA GLN B 58 5.586 -3.580 0.934 1.00 0.00 C ATOM 876 C GLN B 58 4.631 -2.578 1.564 1.00 0.00 C ATOM 877 O GLN B 58 4.841 -1.376 1.493 1.00 0.00 O ATOM 878 CB GLN B 58 5.016 -4.078 -0.394 1.00 0.00 C ATOM 879 CG GLN B 58 5.886 -5.109 -1.088 1.00 0.00 C ATOM 880 CD GLN B 58 7.215 -4.541 -1.546 1.00 0.00 C ATOM 881 OE1 GLN B 58 8.039 -4.123 -0.730 1.00 0.00 O ATOM 882 NE2 GLN B 58 7.427 -4.504 -2.854 1.00 0.00 N ATOM 0 H GLN B 58 5.369 -5.562 1.562 1.00 0.00 H new ATOM 0 HA GLN B 58 6.541 -3.093 0.740 1.00 0.00 H new ATOM 0 HB2 GLN B 58 4.031 -4.509 -0.217 1.00 0.00 H new ATOM 0 HB3 GLN B 58 4.877 -3.227 -1.060 1.00 0.00 H new ATOM 0 HG2 GLN B 58 6.066 -5.942 -0.409 1.00 0.00 H new ATOM 0 HG3 GLN B 58 5.351 -5.510 -1.949 1.00 0.00 H new ATOM 0 HE21 GLN B 58 6.719 -4.861 -3.496 1.00 0.00 H new ATOM 0 HE22 GLN B 58 8.298 -4.119 -3.219 1.00 0.00 H new ATOM 891 N VAL B 59 3.590 -3.079 2.193 1.00 0.00 N ATOM 892 CA VAL B 59 2.616 -2.215 2.835 1.00 0.00 C ATOM 893 C VAL B 59 3.192 -1.534 4.072 1.00 0.00 C ATOM 894 O VAL B 59 2.898 -0.367 4.327 1.00 0.00 O ATOM 895 CB VAL B 59 1.331 -3.004 3.188 1.00 0.00 C ATOM 896 CG1 VAL B 59 0.604 -2.412 4.383 1.00 0.00 C ATOM 897 CG2 VAL B 59 0.413 -3.072 1.981 1.00 0.00 C ATOM 0 H VAL B 59 3.394 -4.077 2.275 1.00 0.00 H new ATOM 0 HA VAL B 59 2.355 -1.431 2.124 1.00 0.00 H new ATOM 0 HB VAL B 59 1.631 -4.014 3.467 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -0.290 -2.999 4.592 1.00 0.00 H new ATOM 0 HG12 VAL B 59 1.261 -2.428 5.253 1.00 0.00 H new ATOM 0 HG13 VAL B 59 0.319 -1.383 4.163 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -0.488 -3.629 2.240 1.00 0.00 H new ATOM 0 HG22 VAL B 59 0.140 -2.062 1.674 1.00 0.00 H new ATOM 0 HG23 VAL B 59 0.927 -3.574 1.161 1.00 0.00 H new ATOM 907 N GLN B 60 4.012 -2.246 4.836 1.00 0.00 N ATOM 908 CA GLN B 60 4.602 -1.662 6.032 1.00 0.00 C ATOM 909 C GLN B 60 5.530 -0.511 5.676 1.00 0.00 C ATOM 910 O GLN B 60 5.521 0.522 6.346 1.00 0.00 O ATOM 911 CB GLN B 60 5.353 -2.706 6.858 1.00 0.00 C ATOM 912 CG GLN B 60 6.427 -3.454 6.093 1.00 0.00 C ATOM 913 CD GLN B 60 7.236 -4.368 6.986 1.00 0.00 C ATOM 914 OE1 GLN B 60 6.704 -5.332 7.533 1.00 0.00 O ATOM 915 NE2 GLN B 60 8.518 -4.075 7.147 1.00 0.00 N ATOM 0 H GLN B 60 4.280 -3.213 4.652 1.00 0.00 H new ATOM 0 HA GLN B 60 3.782 -1.277 6.638 1.00 0.00 H new ATOM 0 HB2 GLN B 60 5.811 -2.213 7.715 1.00 0.00 H new ATOM 0 HB3 GLN B 60 4.635 -3.426 7.251 1.00 0.00 H new ATOM 0 HG2 GLN B 60 5.963 -4.041 5.300 1.00 0.00 H new ATOM 0 HG3 GLN B 60 7.093 -2.738 5.611 1.00 0.00 H new ATOM 0 HE21 GLN B 60 8.919 -3.265 6.674 1.00 0.00 H new ATOM 0 HE22 GLN B 60 9.104 -4.659 7.744 1.00 0.00 H new ATOM 924 N HIS B 61 6.334 -0.671 4.623 1.00 0.00 N ATOM 925 CA HIS B 61 7.237 0.403 4.240 1.00 0.00 C ATOM 926 C HIS B 61 6.479 1.485 3.469 1.00 0.00 C ATOM 927 O HIS B 61 6.942 2.619 3.378 1.00 0.00 O ATOM 928 CB HIS B 61 8.473 -0.097 3.479 1.00 0.00 C ATOM 929 CG HIS B 61 8.296 -0.218 2.020 1.00 0.00 C ATOM 930 ND1 HIS B 61 7.579 -1.215 1.457 1.00 0.00 N ATOM 931 CD2 HIS B 61 8.719 0.576 1.004 1.00 0.00 C ATOM 932 CE1 HIS B 61 7.567 -1.023 0.151 1.00 0.00 C ATOM 933 NE2 HIS B 61 8.247 0.050 -0.193 1.00 0.00 N ATOM 0 H HIS B 61 6.376 -1.507 4.040 1.00 0.00 H new ATOM 0 HA HIS B 61 7.625 0.847 5.157 1.00 0.00 H new ATOM 0 HB2 HIS B 61 9.302 0.583 3.675 1.00 0.00 H new ATOM 0 HB3 HIS B 61 8.758 -1.070 3.878 1.00 0.00 H new ATOM 0 HD1 HIS B 61 7.126 -1.982 1.954 1.00 0.00 H new ATOM 0 HD2 HIS B 61 9.321 1.467 1.108 1.00 0.00 H new ATOM 0 HE1 HIS B 61 7.060 -1.669 -0.551 1.00 0.00 H new ATOM 941 N LEU B 62 5.284 1.155 2.962 1.00 0.00 N ATOM 942 CA LEU B 62 4.469 2.154 2.273 1.00 0.00 C ATOM 943 C LEU B 62 3.933 3.110 3.311 1.00 0.00 C ATOM 944 O LEU B 62 3.882 4.316 3.095 1.00 0.00 O ATOM 945 CB LEU B 62 3.301 1.535 1.490 1.00 0.00 C ATOM 946 CG LEU B 62 3.664 0.900 0.146 1.00 0.00 C ATOM 947 CD1 LEU B 62 2.431 0.789 -0.736 1.00 0.00 C ATOM 948 CD2 LEU B 62 4.746 1.697 -0.551 1.00 0.00 C ATOM 0 H LEU B 62 4.870 0.224 3.015 1.00 0.00 H new ATOM 0 HA LEU B 62 5.097 2.664 1.542 1.00 0.00 H new ATOM 0 HB2 LEU B 62 2.831 0.775 2.115 1.00 0.00 H new ATOM 0 HB3 LEU B 62 2.554 2.310 1.315 1.00 0.00 H new ATOM 0 HG LEU B 62 4.049 -0.102 0.333 1.00 0.00 H new ATOM 0 HD11 LEU B 62 2.705 0.336 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU B 62 1.684 0.169 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU B 62 2.019 1.783 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU B 62 4.988 1.227 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU B 62 4.393 2.713 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU B 62 5.637 1.726 0.076 1.00 0.00 H new ATOM 960 N GLN B 63 3.572 2.553 4.463 1.00 0.00 N ATOM 961 CA GLN B 63 3.085 3.350 5.575 1.00 0.00 C ATOM 962 C GLN B 63 4.272 4.076 6.192 1.00 0.00 C ATOM 963 O GLN B 63 4.124 5.145 6.781 1.00 0.00 O ATOM 964 CB GLN B 63 2.413 2.479 6.639 1.00 0.00 C ATOM 965 CG GLN B 63 1.268 1.627 6.123 1.00 0.00 C ATOM 966 CD GLN B 63 0.636 0.785 7.219 1.00 0.00 C ATOM 967 OE1 GLN B 63 0.743 -0.528 7.091 1.00 0.00 O flip ATOM 968 NE2 GLN B 63 0.064 1.311 8.173 1.00 0.00 N flip ATOM 0 H GLN B 63 3.609 1.550 4.647 1.00 0.00 H new ATOM 0 HA GLN B 63 2.341 4.056 5.206 1.00 0.00 H new ATOM 0 HB2 GLN B 63 3.164 1.826 7.083 1.00 0.00 H new ATOM 0 HB3 GLN B 63 2.040 3.123 7.435 1.00 0.00 H new ATOM 0 HG2 GLN B 63 0.509 2.272 5.680 1.00 0.00 H new ATOM 0 HG3 GLN B 63 1.633 0.973 5.331 1.00 0.00 H new ATOM 0 HE21 GLN B 63 0.003 2.327 8.234 1.00 0.00 H new ATOM 0 HE22 GLN B 63 -0.350 0.731 8.903 1.00 0.00 H new ATOM 977 N ALA B 64 5.453 3.475 6.028 1.00 0.00 N ATOM 978 CA ALA B 64 6.696 4.044 6.530 1.00 0.00 C ATOM 979 C ALA B 64 6.928 5.387 5.870 1.00 0.00 C ATOM 980 O ALA B 64 7.055 6.411 6.537 1.00 0.00 O ATOM 981 CB ALA B 64 7.864 3.116 6.228 1.00 0.00 C ATOM 0 H ALA B 64 5.569 2.584 5.545 1.00 0.00 H new ATOM 0 HA ALA B 64 6.622 4.169 7.610 1.00 0.00 H new ATOM 0 HB1 ALA B 64 8.786 3.555 6.609 1.00 0.00 H new ATOM 0 HB2 ALA B 64 7.696 2.152 6.708 1.00 0.00 H new ATOM 0 HB3 ALA B 64 7.948 2.975 5.150 1.00 0.00 H new ATOM 987 N ALA B 65 6.944 5.367 4.542 1.00 0.00 N ATOM 988 CA ALA B 65 7.118 6.580 3.768 1.00 0.00 C ATOM 989 C ALA B 65 5.951 7.513 4.040 1.00 0.00 C ATOM 990 O ALA B 65 6.133 8.705 4.269 1.00 0.00 O ATOM 991 CB ALA B 65 7.208 6.255 2.284 1.00 0.00 C ATOM 0 H ALA B 65 6.838 4.521 3.983 1.00 0.00 H new ATOM 0 HA ALA B 65 8.047 7.069 4.062 1.00 0.00 H new ATOM 0 HB1 ALA B 65 7.338 7.177 1.717 1.00 0.00 H new ATOM 0 HB2 ALA B 65 8.058 5.596 2.107 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.292 5.759 1.964 1.00 0.00 H new ATOM 997 N PHE B 66 4.751 6.938 4.030 1.00 0.00 N ATOM 998 CA PHE B 66 3.514 7.670 4.287 1.00 0.00 C ATOM 999 C PHE B 66 3.581 8.459 5.587 1.00 0.00 C ATOM 1000 O PHE B 66 2.871 9.431 5.736 1.00 0.00 O ATOM 1001 CB PHE B 66 2.333 6.699 4.382 1.00 0.00 C ATOM 1002 CG PHE B 66 1.230 6.939 3.387 1.00 0.00 C ATOM 1003 CD1 PHE B 66 1.034 8.193 2.823 1.00 0.00 C ATOM 1004 CD2 PHE B 66 0.377 5.903 3.023 1.00 0.00 C ATOM 1005 CE1 PHE B 66 0.018 8.403 1.915 1.00 0.00 C ATOM 1006 CE2 PHE B 66 -0.641 6.113 2.114 1.00 0.00 C ATOM 1007 CZ PHE B 66 -0.819 7.364 1.561 1.00 0.00 C ATOM 0 H PHE B 66 4.609 5.946 3.842 1.00 0.00 H new ATOM 0 HA PHE B 66 3.379 8.363 3.456 1.00 0.00 H new ATOM 0 HB2 PHE B 66 2.706 5.683 4.250 1.00 0.00 H new ATOM 0 HB3 PHE B 66 1.914 6.757 5.387 1.00 0.00 H new ATOM 0 HD1 PHE B 66 1.683 9.011 3.098 1.00 0.00 H new ATOM 0 HD2 PHE B 66 0.512 4.923 3.456 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -0.123 9.381 1.480 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -1.296 5.300 1.837 1.00 0.00 H new ATOM 0 HZ PHE B 66 -1.615 7.531 0.850 1.00 0.00 H new ATOM 1017 N SER B 67 4.408 8.022 6.536 1.00 0.00 N ATOM 1018 CA SER B 67 4.521 8.699 7.825 1.00 0.00 C ATOM 1019 C SER B 67 4.848 10.186 7.650 1.00 0.00 C ATOM 1020 O SER B 67 4.369 11.026 8.411 1.00 0.00 O ATOM 1021 CB SER B 67 5.579 8.020 8.697 1.00 0.00 C ATOM 1022 OG SER B 67 5.617 8.588 9.995 1.00 0.00 O ATOM 0 H SER B 67 5.008 7.203 6.436 1.00 0.00 H new ATOM 0 HA SER B 67 3.555 8.626 8.324 1.00 0.00 H new ATOM 0 HB2 SER B 67 5.364 6.954 8.770 1.00 0.00 H new ATOM 0 HB3 SER B 67 6.558 8.116 8.227 1.00 0.00 H new ATOM 0 HG SER B 67 6.301 8.134 10.531 1.00 0.00 H new ATOM 1028 N GLN B 68 5.653 10.511 6.640 1.00 0.00 N ATOM 1029 CA GLN B 68 6.015 11.899 6.384 1.00 0.00 C ATOM 1030 C GLN B 68 4.999 12.570 5.451 1.00 0.00 C ATOM 1031 O GLN B 68 4.683 13.744 5.616 1.00 0.00 O ATOM 1032 CB GLN B 68 7.437 11.993 5.807 1.00 0.00 C ATOM 1033 CG GLN B 68 7.643 11.228 4.508 1.00 0.00 C ATOM 1034 CD GLN B 68 9.085 11.237 4.039 1.00 0.00 C ATOM 1035 OE1 GLN B 68 9.670 12.294 3.808 1.00 0.00 O ATOM 1036 NE2 GLN B 68 9.672 10.057 3.896 1.00 0.00 N ATOM 0 H GLN B 68 6.062 9.838 5.993 1.00 0.00 H new ATOM 0 HA GLN B 68 5.998 12.433 7.334 1.00 0.00 H new ATOM 0 HB2 GLN B 68 7.678 13.042 5.638 1.00 0.00 H new ATOM 0 HB3 GLN B 68 8.142 11.620 6.550 1.00 0.00 H new ATOM 0 HG2 GLN B 68 7.317 10.197 4.644 1.00 0.00 H new ATOM 0 HG3 GLN B 68 7.012 11.662 3.733 1.00 0.00 H new ATOM 0 HE21 GLN B 68 9.154 9.202 4.097 1.00 0.00 H new ATOM 0 HE22 GLN B 68 10.642 10.004 3.585 1.00 0.00 H new ATOM 1045 N TYR B 69 4.482 11.819 4.484 1.00 0.00 N ATOM 1046 CA TYR B 69 3.499 12.349 3.535 1.00 0.00 C ATOM 1047 C TYR B 69 2.140 12.518 4.203 1.00 0.00 C ATOM 1048 O TYR B 69 1.290 13.272 3.738 1.00 0.00 O ATOM 1049 CB TYR B 69 3.396 11.428 2.326 1.00 0.00 C ATOM 1050 CG TYR B 69 4.752 11.121 1.756 1.00 0.00 C ATOM 1051 CD1 TYR B 69 5.603 12.135 1.324 1.00 0.00 C ATOM 1052 CD2 TYR B 69 5.213 9.820 1.716 1.00 0.00 C ATOM 1053 CE1 TYR B 69 6.865 11.849 0.879 1.00 0.00 C ATOM 1054 CE2 TYR B 69 6.473 9.525 1.258 1.00 0.00 C ATOM 1055 CZ TYR B 69 7.300 10.542 0.845 1.00 0.00 C ATOM 1056 OH TYR B 69 8.566 10.251 0.416 1.00 0.00 O ATOM 0 H TYR B 69 4.725 10.840 4.334 1.00 0.00 H new ATOM 0 HA TYR B 69 3.831 13.332 3.199 1.00 0.00 H new ATOM 0 HB2 TYR B 69 2.902 10.500 2.614 1.00 0.00 H new ATOM 0 HB3 TYR B 69 2.775 11.896 1.562 1.00 0.00 H new ATOM 0 HD1 TYR B 69 5.263 13.160 1.340 1.00 0.00 H new ATOM 0 HD2 TYR B 69 4.570 9.020 2.051 1.00 0.00 H new ATOM 0 HE1 TYR B 69 7.518 12.646 0.555 1.00 0.00 H new ATOM 0 HE2 TYR B 69 6.812 8.500 1.222 1.00 0.00 H new ATOM 0 HH TYR B 69 8.874 10.953 -0.194 1.00 0.00 H new ATOM 1066 N LYS B 70 1.963 11.811 5.309 1.00 0.00 N ATOM 1067 CA LYS B 70 0.738 11.856 6.094 1.00 0.00 C ATOM 1068 C LYS B 70 0.545 13.255 6.679 1.00 0.00 C ATOM 1069 O LYS B 70 -0.559 13.798 6.676 1.00 0.00 O ATOM 1070 CB LYS B 70 0.804 10.792 7.210 1.00 0.00 C ATOM 1071 CG LYS B 70 -0.212 10.964 8.326 1.00 0.00 C ATOM 1072 CD LYS B 70 -1.539 10.326 7.969 1.00 0.00 C ATOM 1073 CE LYS B 70 -2.597 10.603 9.019 1.00 0.00 C ATOM 1074 NZ LYS B 70 -3.948 10.207 8.544 1.00 0.00 N ATOM 0 H LYS B 70 2.672 11.184 5.690 1.00 0.00 H new ATOM 0 HA LYS B 70 -0.117 11.636 5.455 1.00 0.00 H new ATOM 0 HB2 LYS B 70 0.665 9.808 6.761 1.00 0.00 H new ATOM 0 HB3 LYS B 70 1.804 10.805 7.645 1.00 0.00 H new ATOM 0 HG2 LYS B 70 0.173 10.517 9.243 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -0.359 12.025 8.526 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -1.876 10.705 7.004 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -1.407 9.249 7.861 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -2.357 10.059 9.932 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -2.594 11.664 9.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -4.649 10.409 9.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -4.186 10.745 7.686 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -3.956 9.190 8.328 1.00 0.00 H new ATOM 1088 N LYS B 71 1.632 13.849 7.154 1.00 0.00 N ATOM 1089 CA LYS B 71 1.571 15.191 7.713 1.00 0.00 C ATOM 1090 C LYS B 71 1.922 16.235 6.655 1.00 0.00 C ATOM 1091 O LYS B 71 2.472 17.294 6.956 1.00 0.00 O ATOM 1092 CB LYS B 71 2.474 15.306 8.957 1.00 0.00 C ATOM 1093 CG LYS B 71 3.871 14.717 8.794 1.00 0.00 C ATOM 1094 CD LYS B 71 4.827 15.688 8.117 1.00 0.00 C ATOM 1095 CE LYS B 71 6.225 15.099 7.992 1.00 0.00 C ATOM 1096 NZ LYS B 71 6.839 14.813 9.317 1.00 0.00 N ATOM 0 H LYS B 71 2.560 13.426 7.163 1.00 0.00 H new ATOM 0 HA LYS B 71 0.548 15.387 8.035 1.00 0.00 H new ATOM 0 HB2 LYS B 71 2.568 16.359 9.223 1.00 0.00 H new ATOM 0 HB3 LYS B 71 1.981 14.809 9.793 1.00 0.00 H new ATOM 0 HG2 LYS B 71 4.265 14.444 9.773 1.00 0.00 H new ATOM 0 HG3 LYS B 71 3.811 13.800 8.208 1.00 0.00 H new ATOM 0 HD2 LYS B 71 4.448 15.942 7.127 1.00 0.00 H new ATOM 0 HD3 LYS B 71 4.871 16.615 8.689 1.00 0.00 H new ATOM 0 HE2 LYS B 71 6.178 14.179 7.410 1.00 0.00 H new ATOM 0 HE3 LYS B 71 6.861 15.792 7.442 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 7.855 14.625 9.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 6.711 15.633 9.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 6.381 13.980 9.739 1.00 0.00 H new ATOM 1110 N VAL B 72 1.585 15.923 5.414 1.00 0.00 N ATOM 1111 CA VAL B 72 1.844 16.817 4.300 1.00 0.00 C ATOM 1112 C VAL B 72 0.619 17.675 3.993 1.00 0.00 C ATOM 1113 O VAL B 72 0.745 18.878 3.755 1.00 0.00 O ATOM 1114 CB VAL B 72 2.305 16.025 3.061 1.00 0.00 C ATOM 1115 CG1 VAL B 72 2.125 16.810 1.775 1.00 0.00 C ATOM 1116 CG2 VAL B 72 3.762 15.642 3.224 1.00 0.00 C ATOM 0 H VAL B 72 1.128 15.049 5.153 1.00 0.00 H new ATOM 0 HA VAL B 72 2.653 17.491 4.582 1.00 0.00 H new ATOM 0 HB VAL B 72 1.682 15.133 2.988 1.00 0.00 H new ATOM 0 HG11 VAL B 72 2.464 16.209 0.931 1.00 0.00 H new ATOM 0 HG12 VAL B 72 1.072 17.057 1.644 1.00 0.00 H new ATOM 0 HG13 VAL B 72 2.710 17.729 1.825 1.00 0.00 H new ATOM 0 HG21 VAL B 72 4.091 15.082 2.349 1.00 0.00 H new ATOM 0 HG22 VAL B 72 4.366 16.544 3.326 1.00 0.00 H new ATOM 0 HG23 VAL B 72 3.879 15.025 4.115 1.00 0.00 H new ATOM 1126 N GLU B 73 -0.573 17.087 4.025 1.00 0.00 N ATOM 1127 CA GLU B 73 -1.764 17.879 3.770 1.00 0.00 C ATOM 1128 C GLU B 73 -2.472 18.200 5.055 1.00 0.00 C ATOM 1129 O GLU B 73 -3.158 17.369 5.653 1.00 0.00 O ATOM 1130 CB GLU B 73 -2.742 17.226 2.824 1.00 0.00 C ATOM 1131 CG GLU B 73 -3.747 18.223 2.257 1.00 0.00 C ATOM 1132 CD GLU B 73 -5.043 17.591 1.814 1.00 0.00 C ATOM 1133 OE1 GLU B 73 -5.249 16.397 2.086 1.00 0.00 O ATOM 1134 OE2 GLU B 73 -5.872 18.307 1.223 1.00 0.00 O ATOM 0 H GLU B 73 -0.735 16.099 4.218 1.00 0.00 H new ATOM 0 HA GLU B 73 -1.407 18.789 3.288 1.00 0.00 H new ATOM 0 HB2 GLU B 73 -2.196 16.758 2.005 1.00 0.00 H new ATOM 0 HB3 GLU B 73 -3.276 16.432 3.346 1.00 0.00 H new ATOM 0 HG2 GLU B 73 -3.961 18.979 3.012 1.00 0.00 H new ATOM 0 HG3 GLU B 73 -3.296 18.738 1.409 1.00 0.00 H new ATOM 1141 N LEU B 74 -2.276 19.423 5.446 1.00 0.00 N ATOM 1142 CA LEU B 74 -2.844 19.978 6.659 1.00 0.00 C ATOM 1143 C LEU B 74 -2.592 21.484 6.716 1.00 0.00 C ATOM 1144 O LEU B 74 -3.426 22.245 7.206 1.00 0.00 O ATOM 1145 CB LEU B 74 -2.321 19.241 7.901 1.00 0.00 C ATOM 1146 CG LEU B 74 -0.806 19.188 8.184 1.00 0.00 C ATOM 1147 CD1 LEU B 74 -0.475 17.851 8.802 1.00 0.00 C ATOM 1148 CD2 LEU B 74 0.096 19.429 6.987 1.00 0.00 C ATOM 0 H LEU B 74 -1.704 20.087 4.924 1.00 0.00 H new ATOM 0 HA LEU B 74 -3.924 19.830 6.648 1.00 0.00 H new ATOM 0 HB2 LEU B 74 -2.798 19.693 8.771 1.00 0.00 H new ATOM 0 HB3 LEU B 74 -2.676 18.212 7.841 1.00 0.00 H new ATOM 0 HG LEU B 74 -0.603 20.019 8.859 1.00 0.00 H new ATOM 0 HD11 LEU B 74 0.594 17.800 9.007 1.00 0.00 H new ATOM 0 HD12 LEU B 74 -1.029 17.733 9.733 1.00 0.00 H new ATOM 0 HD13 LEU B 74 -0.750 17.053 8.112 1.00 0.00 H new ATOM 0 HD21 LEU B 74 1.139 19.369 7.299 1.00 0.00 H new ATOM 0 HD22 LEU B 74 -0.099 18.673 6.226 1.00 0.00 H new ATOM 0 HD23 LEU B 74 -0.103 20.418 6.575 1.00 0.00 H new ATOM 1297 N VAL C 85 -6.799 -22.983 -3.727 1.00 0.00 N ATOM 1298 CA VAL C 85 -5.467 -22.681 -3.226 1.00 0.00 C ATOM 1299 C VAL C 85 -4.700 -21.901 -4.292 1.00 0.00 C ATOM 1300 O VAL C 85 -4.089 -20.873 -4.007 1.00 0.00 O ATOM 1301 CB VAL C 85 -4.709 -23.978 -2.855 1.00 0.00 C ATOM 1302 CG1 VAL C 85 -3.276 -23.695 -2.448 1.00 0.00 C ATOM 1303 CG2 VAL C 85 -5.431 -24.706 -1.733 1.00 0.00 C ATOM 0 HA VAL C 85 -5.553 -22.078 -2.322 1.00 0.00 H new ATOM 0 HB VAL C 85 -4.686 -24.610 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -2.778 -24.631 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -2.751 -23.216 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -3.268 -23.034 -1.581 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -4.888 -25.617 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -5.484 -24.061 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -6.440 -24.963 -2.056 1.00 0.00 H new ATOM 1313 N ALA C 86 -4.772 -22.380 -5.531 1.00 0.00 N ATOM 1314 CA ALA C 86 -4.114 -21.711 -6.649 1.00 0.00 C ATOM 1315 C ALA C 86 -4.844 -20.421 -6.995 1.00 0.00 C ATOM 1316 O ALA C 86 -4.258 -19.492 -7.545 1.00 0.00 O ATOM 1317 CB ALA C 86 -4.044 -22.626 -7.860 1.00 0.00 C ATOM 0 H ALA C 86 -5.279 -23.228 -5.786 1.00 0.00 H new ATOM 0 HA ALA C 86 -3.095 -21.465 -6.351 1.00 0.00 H new ATOM 0 HB1 ALA C 86 -3.550 -22.106 -8.681 1.00 0.00 H new ATOM 0 HB2 ALA C 86 -3.479 -23.523 -7.606 1.00 0.00 H new ATOM 0 HB3 ALA C 86 -5.053 -22.906 -8.163 1.00 0.00 H new ATOM 1323 N SER C 87 -6.122 -20.354 -6.644 1.00 0.00 N ATOM 1324 CA SER C 87 -6.909 -19.158 -6.892 1.00 0.00 C ATOM 1325 C SER C 87 -6.516 -18.084 -5.893 1.00 0.00 C ATOM 1326 O SER C 87 -6.736 -16.892 -6.104 1.00 0.00 O ATOM 1327 CB SER C 87 -8.404 -19.455 -6.802 1.00 0.00 C ATOM 1328 OG SER C 87 -8.799 -20.360 -7.821 1.00 0.00 O ATOM 0 H SER C 87 -6.632 -21.111 -6.189 1.00 0.00 H new ATOM 0 HA SER C 87 -6.705 -18.805 -7.903 1.00 0.00 H new ATOM 0 HB2 SER C 87 -8.638 -19.876 -5.824 1.00 0.00 H new ATOM 0 HB3 SER C 87 -8.970 -18.528 -6.893 1.00 0.00 H new ATOM 0 HG SER C 87 -9.760 -20.539 -7.745 1.00 0.00 H new ATOM 1334 N LEU C 88 -5.885 -18.506 -4.814 1.00 0.00 N ATOM 1335 CA LEU C 88 -5.418 -17.568 -3.821 1.00 0.00 C ATOM 1336 C LEU C 88 -4.144 -16.917 -4.338 1.00 0.00 C ATOM 1337 O LEU C 88 -3.759 -15.851 -3.894 1.00 0.00 O ATOM 1338 CB LEU C 88 -5.183 -18.260 -2.476 1.00 0.00 C ATOM 1339 CG LEU C 88 -4.574 -17.382 -1.388 1.00 0.00 C ATOM 1340 CD1 LEU C 88 -5.470 -16.194 -1.082 1.00 0.00 C ATOM 1341 CD2 LEU C 88 -4.325 -18.188 -0.126 1.00 0.00 C ATOM 0 H LEU C 88 -5.687 -19.485 -4.607 1.00 0.00 H new ATOM 0 HA LEU C 88 -6.176 -16.803 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU C 88 -6.135 -18.649 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU C 88 -4.529 -19.117 -2.637 1.00 0.00 H new ATOM 0 HG LEU C 88 -3.620 -17.006 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU C 88 -5.012 -15.584 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU C 88 -5.599 -15.594 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU C 88 -6.442 -16.550 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU C 88 -3.890 -17.543 0.638 1.00 0.00 H new ATOM 0 HD22 LEU C 88 -5.268 -18.596 0.237 1.00 0.00 H new ATOM 0 HD23 LEU C 88 -3.637 -19.005 -0.346 1.00 0.00 H new ATOM 1353 N ARG C 89 -3.525 -17.577 -5.311 1.00 0.00 N ATOM 1354 CA ARG C 89 -2.304 -17.087 -5.960 1.00 0.00 C ATOM 1355 C ARG C 89 -2.637 -15.890 -6.840 1.00 0.00 C ATOM 1356 O ARG C 89 -1.927 -14.893 -6.839 1.00 0.00 O ATOM 1357 CB ARG C 89 -1.685 -18.192 -6.830 1.00 0.00 C ATOM 1358 CG ARG C 89 -0.847 -19.243 -6.106 1.00 0.00 C ATOM 1359 CD ARG C 89 -1.379 -19.625 -4.730 1.00 0.00 C ATOM 1360 NE ARG C 89 -0.447 -20.507 -4.016 1.00 0.00 N ATOM 1361 CZ ARG C 89 -0.217 -21.782 -4.345 1.00 0.00 C ATOM 1362 NH1 ARG C 89 -0.909 -22.354 -5.319 1.00 0.00 N ATOM 1363 NH2 ARG C 89 0.705 -22.481 -3.692 1.00 0.00 N ATOM 0 H ARG C 89 -3.854 -18.471 -5.676 1.00 0.00 H new ATOM 0 HA ARG C 89 -1.592 -16.794 -5.189 1.00 0.00 H new ATOM 0 HB2 ARG C 89 -2.491 -18.703 -7.357 1.00 0.00 H new ATOM 0 HB3 ARG C 89 -1.059 -17.719 -7.587 1.00 0.00 H new ATOM 0 HG2 ARG C 89 -0.794 -20.139 -6.725 1.00 0.00 H new ATOM 0 HG3 ARG C 89 0.171 -18.869 -5.999 1.00 0.00 H new ATOM 0 HD2 ARG C 89 -1.550 -18.723 -4.142 1.00 0.00 H new ATOM 0 HD3 ARG C 89 -2.343 -20.123 -4.837 1.00 0.00 H new ATOM 0 HE ARG C 89 0.057 -20.122 -3.217 1.00 0.00 H new ATOM 0 HH11 ARG C 89 -1.620 -21.821 -5.820 1.00 0.00 H new ATOM 0 HH12 ARG C 89 -0.731 -23.327 -5.568 1.00 0.00 H new ATOM 0 HH21 ARG C 89 1.238 -22.045 -2.939 1.00 0.00 H new ATOM 0 HH22 ARG C 89 0.880 -23.454 -3.943 1.00 0.00 H new ATOM 1377 N GLN C 90 -3.735 -15.978 -7.575 1.00 0.00 N ATOM 1378 CA GLN C 90 -4.154 -14.872 -8.420 1.00 0.00 C ATOM 1379 C GLN C 90 -4.653 -13.739 -7.534 1.00 0.00 C ATOM 1380 O GLN C 90 -4.470 -12.565 -7.845 1.00 0.00 O ATOM 1381 CB GLN C 90 -5.236 -15.316 -9.407 1.00 0.00 C ATOM 1382 CG GLN C 90 -6.237 -16.301 -8.827 1.00 0.00 C ATOM 1383 CD GLN C 90 -7.548 -16.310 -9.584 1.00 0.00 C ATOM 1384 OE1 GLN C 90 -7.581 -16.596 -10.780 1.00 0.00 O ATOM 1385 NE2 GLN C 90 -8.636 -15.994 -8.893 1.00 0.00 N ATOM 0 H GLN C 90 -4.346 -16.794 -7.604 1.00 0.00 H new ATOM 0 HA GLN C 90 -3.306 -14.523 -9.009 1.00 0.00 H new ATOM 0 HB2 GLN C 90 -5.772 -14.436 -9.762 1.00 0.00 H new ATOM 0 HB3 GLN C 90 -4.757 -15.769 -10.275 1.00 0.00 H new ATOM 0 HG2 GLN C 90 -5.806 -17.302 -8.841 1.00 0.00 H new ATOM 0 HG3 GLN C 90 -6.426 -16.050 -7.783 1.00 0.00 H new ATOM 0 HE21 GLN C 90 -8.562 -15.763 -7.902 1.00 0.00 H new ATOM 0 HE22 GLN C 90 -9.546 -15.982 -9.353 1.00 0.00 H new ATOM 1394 N GLN C 91 -5.262 -14.111 -6.410 1.00 0.00 N ATOM 1395 CA GLN C 91 -5.771 -13.141 -5.456 1.00 0.00 C ATOM 1396 C GLN C 91 -4.608 -12.406 -4.774 1.00 0.00 C ATOM 1397 O GLN C 91 -4.721 -11.219 -4.470 1.00 0.00 O ATOM 1398 CB GLN C 91 -6.662 -13.841 -4.421 1.00 0.00 C ATOM 1399 CG GLN C 91 -7.470 -12.893 -3.545 1.00 0.00 C ATOM 1400 CD GLN C 91 -8.336 -13.627 -2.541 1.00 0.00 C ATOM 1401 OE1 GLN C 91 -9.162 -14.464 -2.911 1.00 0.00 O ATOM 1402 NE2 GLN C 91 -8.152 -13.325 -1.264 1.00 0.00 N ATOM 0 H GLN C 91 -5.413 -15.083 -6.141 1.00 0.00 H new ATOM 0 HA GLN C 91 -6.374 -12.403 -5.984 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -7.348 -14.509 -4.942 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -6.036 -14.463 -3.781 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -6.791 -12.226 -3.015 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -8.102 -12.269 -4.177 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -7.458 -12.626 -1.000 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -8.705 -13.792 -0.545 1.00 0.00 H new ATOM 1411 N VAL C 92 -3.477 -13.094 -4.558 1.00 0.00 N ATOM 1412 CA VAL C 92 -2.324 -12.437 -3.948 1.00 0.00 C ATOM 1413 C VAL C 92 -1.672 -11.515 -4.945 1.00 0.00 C ATOM 1414 O VAL C 92 -1.229 -10.431 -4.590 1.00 0.00 O ATOM 1415 CB VAL C 92 -1.201 -13.359 -3.397 1.00 0.00 C ATOM 1416 CG1 VAL C 92 -1.262 -13.510 -1.895 1.00 0.00 C ATOM 1417 CG2 VAL C 92 -1.092 -14.684 -4.092 1.00 0.00 C ATOM 0 H VAL C 92 -3.342 -14.078 -4.791 1.00 0.00 H new ATOM 0 HA VAL C 92 -2.758 -11.926 -3.089 1.00 0.00 H new ATOM 0 HB VAL C 92 -0.275 -12.836 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL C 92 -0.456 -14.164 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL C 92 -1.153 -12.532 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL C 92 -2.221 -13.943 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL C 92 -0.284 -15.264 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL C 92 -2.031 -15.228 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL C 92 -0.882 -14.524 -5.150 1.00 0.00 H new ATOM 1427 N GLU C 93 -1.616 -11.945 -6.196 1.00 0.00 N ATOM 1428 CA GLU C 93 -1.019 -11.128 -7.230 1.00 0.00 C ATOM 1429 C GLU C 93 -1.902 -9.912 -7.475 1.00 0.00 C ATOM 1430 O GLU C 93 -1.444 -8.879 -7.962 1.00 0.00 O ATOM 1431 CB GLU C 93 -0.804 -11.932 -8.510 1.00 0.00 C ATOM 1432 CG GLU C 93 0.112 -13.129 -8.307 1.00 0.00 C ATOM 1433 CD GLU C 93 0.504 -13.797 -9.600 1.00 0.00 C ATOM 1434 OE1 GLU C 93 1.188 -13.149 -10.416 1.00 0.00 O ATOM 1435 OE2 GLU C 93 0.135 -14.970 -9.802 1.00 0.00 O ATOM 0 H GLU C 93 -1.974 -12.846 -6.513 1.00 0.00 H new ATOM 0 HA GLU C 93 -0.036 -10.790 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU C 93 -1.768 -12.277 -8.883 1.00 0.00 H new ATOM 0 HB3 GLU C 93 -0.380 -11.282 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU C 93 1.012 -12.806 -7.784 1.00 0.00 H new ATOM 0 HG3 GLU C 93 -0.386 -13.856 -7.665 1.00 0.00 H new ATOM 1442 N ALA C 94 -3.169 -10.050 -7.087 1.00 0.00 N ATOM 1443 CA ALA C 94 -4.145 -8.981 -7.199 1.00 0.00 C ATOM 1444 C ALA C 94 -3.807 -7.889 -6.199 1.00 0.00 C ATOM 1445 O ALA C 94 -3.659 -6.723 -6.559 1.00 0.00 O ATOM 1446 CB ALA C 94 -5.534 -9.520 -6.926 1.00 0.00 C ATOM 0 H ALA C 94 -3.543 -10.910 -6.686 1.00 0.00 H new ATOM 0 HA ALA C 94 -4.121 -8.570 -8.208 1.00 0.00 H new ATOM 0 HB1 ALA C 94 -6.261 -8.712 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA C 94 -5.771 -10.300 -7.650 1.00 0.00 H new ATOM 0 HB3 ALA C 94 -5.571 -9.936 -5.919 1.00 0.00 H new ATOM 1452 N LEU C 95 -3.648 -8.295 -4.938 1.00 0.00 N ATOM 1453 CA LEU C 95 -3.282 -7.377 -3.865 1.00 0.00 C ATOM 1454 C LEU C 95 -1.931 -6.754 -4.187 1.00 0.00 C ATOM 1455 O LEU C 95 -1.660 -5.598 -3.864 1.00 0.00 O ATOM 1456 CB LEU C 95 -3.166 -8.124 -2.539 1.00 0.00 C ATOM 1457 CG LEU C 95 -3.977 -7.565 -1.373 1.00 0.00 C ATOM 1458 CD1 LEU C 95 -3.454 -8.100 -0.053 1.00 0.00 C ATOM 1459 CD2 LEU C 95 -4.002 -6.051 -1.359 1.00 0.00 C ATOM 0 H LEU C 95 -3.769 -9.262 -4.636 1.00 0.00 H new ATOM 0 HA LEU C 95 -4.052 -6.610 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU C 95 -3.469 -9.158 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU C 95 -2.116 -8.142 -2.247 1.00 0.00 H new ATOM 0 HG LEU C 95 -5.005 -7.901 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU C 95 -4.045 -7.690 0.766 1.00 0.00 H new ATOM 0 HD12 LEU C 95 -3.529 -9.187 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU C 95 -2.411 -7.808 0.071 1.00 0.00 H new ATOM 0 HD21 LEU C 95 -4.592 -5.705 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU C 95 -2.984 -5.671 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU C 95 -4.448 -5.686 -2.284 1.00 0.00 H new ATOM 1471 N GLN C 96 -1.096 -7.551 -4.837 1.00 0.00 N ATOM 1472 CA GLN C 96 0.234 -7.126 -5.239 1.00 0.00 C ATOM 1473 C GLN C 96 0.133 -5.971 -6.222 1.00 0.00 C ATOM 1474 O GLN C 96 0.892 -5.007 -6.144 1.00 0.00 O ATOM 1475 CB GLN C 96 0.991 -8.305 -5.858 1.00 0.00 C ATOM 1476 CG GLN C 96 2.119 -7.896 -6.781 1.00 0.00 C ATOM 1477 CD GLN C 96 3.056 -9.038 -7.106 1.00 0.00 C ATOM 1478 OE1 GLN C 96 2.668 -10.004 -7.763 1.00 0.00 O ATOM 1479 NE2 GLN C 96 4.291 -8.943 -6.634 1.00 0.00 N ATOM 0 H GLN C 96 -1.323 -8.510 -5.100 1.00 0.00 H new ATOM 0 HA GLN C 96 0.786 -6.784 -4.363 1.00 0.00 H new ATOM 0 HB2 GLN C 96 1.397 -8.924 -5.057 1.00 0.00 H new ATOM 0 HB3 GLN C 96 0.287 -8.924 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN C 96 1.700 -7.502 -7.707 1.00 0.00 H new ATOM 0 HG3 GLN C 96 2.686 -7.088 -6.318 1.00 0.00 H new ATOM 0 HE21 GLN C 96 4.569 -8.123 -6.094 1.00 0.00 H new ATOM 0 HE22 GLN C 96 4.963 -9.689 -6.811 1.00 0.00 H new ATOM 1488 N GLY C 97 -0.834 -6.075 -7.127 1.00 0.00 N ATOM 1489 CA GLY C 97 -1.065 -5.035 -8.109 1.00 0.00 C ATOM 1490 C GLY C 97 -1.511 -3.746 -7.456 1.00 0.00 C ATOM 1491 O GLY C 97 -1.268 -2.651 -7.969 1.00 0.00 O ATOM 0 H GLY C 97 -1.468 -6.871 -7.197 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -0.151 -4.859 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -1.823 -5.366 -8.819 1.00 0.00 H new ATOM 1495 N GLN C 98 -2.141 -3.872 -6.301 1.00 0.00 N ATOM 1496 CA GLN C 98 -2.595 -2.714 -5.558 1.00 0.00 C ATOM 1497 C GLN C 98 -1.404 -1.980 -4.959 1.00 0.00 C ATOM 1498 O GLN C 98 -1.334 -0.761 -5.002 1.00 0.00 O ATOM 1499 CB GLN C 98 -3.573 -3.127 -4.456 1.00 0.00 C ATOM 1500 CG GLN C 98 -4.799 -3.871 -4.958 1.00 0.00 C ATOM 1501 CD GLN C 98 -5.690 -3.014 -5.839 1.00 0.00 C ATOM 1502 OE1 GLN C 98 -5.285 -2.586 -6.921 1.00 0.00 O ATOM 1503 NE2 GLN C 98 -6.903 -2.742 -5.376 1.00 0.00 N ATOM 0 H GLN C 98 -2.349 -4.767 -5.858 1.00 0.00 H new ATOM 0 HA GLN C 98 -3.116 -2.045 -6.243 1.00 0.00 H new ATOM 0 HB2 GLN C 98 -3.048 -3.757 -3.738 1.00 0.00 H new ATOM 0 HB3 GLN C 98 -3.897 -2.235 -3.920 1.00 0.00 H new ATOM 0 HG2 GLN C 98 -4.480 -4.750 -5.518 1.00 0.00 H new ATOM 0 HG3 GLN C 98 -5.376 -4.228 -4.105 1.00 0.00 H new ATOM 0 HE21 GLN C 98 -7.201 -3.116 -4.475 1.00 0.00 H new ATOM 0 HE22 GLN C 98 -7.538 -2.159 -5.921 1.00 0.00 H new ATOM 1512 N VAL C 99 -0.461 -2.721 -4.412 1.00 0.00 N ATOM 1513 CA VAL C 99 0.723 -2.118 -3.819 1.00 0.00 C ATOM 1514 C VAL C 99 1.652 -1.530 -4.877 1.00 0.00 C ATOM 1515 O VAL C 99 2.255 -0.478 -4.659 1.00 0.00 O ATOM 1516 CB VAL C 99 1.474 -3.141 -2.934 1.00 0.00 C ATOM 1517 CG1 VAL C 99 2.955 -2.832 -2.839 1.00 0.00 C ATOM 1518 CG2 VAL C 99 0.853 -3.190 -1.552 1.00 0.00 C ATOM 0 H VAL C 99 -0.488 -3.740 -4.364 1.00 0.00 H new ATOM 0 HA VAL C 99 0.388 -1.295 -3.188 1.00 0.00 H new ATOM 0 HB VAL C 99 1.378 -4.119 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL C 99 3.442 -3.576 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL C 99 3.396 -2.856 -3.835 1.00 0.00 H new ATOM 0 HG13 VAL C 99 3.093 -1.842 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL C 99 1.389 -3.913 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL C 99 0.915 -2.205 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL C 99 -0.192 -3.488 -1.633 1.00 0.00 H new ATOM 1528 N GLN C 100 1.769 -2.193 -6.019 1.00 0.00 N ATOM 1529 CA GLN C 100 2.635 -1.700 -7.080 1.00 0.00 C ATOM 1530 C GLN C 100 2.115 -0.375 -7.625 1.00 0.00 C ATOM 1531 O GLN C 100 2.896 0.540 -7.890 1.00 0.00 O ATOM 1532 CB GLN C 100 2.772 -2.720 -8.209 1.00 0.00 C ATOM 1533 CG GLN C 100 1.480 -3.007 -8.945 1.00 0.00 C ATOM 1534 CD GLN C 100 1.656 -4.016 -10.057 1.00 0.00 C ATOM 1535 OE1 GLN C 100 2.116 -5.137 -9.834 1.00 0.00 O ATOM 1536 NE2 GLN C 100 1.293 -3.621 -11.267 1.00 0.00 N ATOM 0 H GLN C 100 1.282 -3.063 -6.233 1.00 0.00 H new ATOM 0 HA GLN C 100 3.624 -1.540 -6.650 1.00 0.00 H new ATOM 0 HB2 GLN C 100 3.511 -2.358 -8.923 1.00 0.00 H new ATOM 0 HB3 GLN C 100 3.157 -3.653 -7.797 1.00 0.00 H new ATOM 0 HG2 GLN C 100 0.738 -3.377 -8.238 1.00 0.00 H new ATOM 0 HG3 GLN C 100 1.089 -2.078 -9.361 1.00 0.00 H new ATOM 0 HE21 GLN C 100 0.917 -2.683 -11.406 1.00 0.00 H new ATOM 0 HE22 GLN C 100 1.390 -4.254 -12.061 1.00 0.00 H new ATOM 1545 N HIS C 101 0.796 -0.251 -7.790 1.00 0.00 N ATOM 1546 CA HIS C 101 0.249 0.996 -8.298 1.00 0.00 C ATOM 1547 C HIS C 101 0.150 2.026 -7.177 1.00 0.00 C ATOM 1548 O HIS C 101 0.081 3.223 -7.440 1.00 0.00 O ATOM 1549 CB HIS C 101 -1.083 0.800 -9.034 1.00 0.00 C ATOM 1550 CG HIS C 101 -2.283 0.846 -8.173 1.00 0.00 C ATOM 1551 ND1 HIS C 101 -2.626 -0.173 -7.354 1.00 0.00 N ATOM 1552 CD2 HIS C 101 -3.198 1.829 -7.971 1.00 0.00 C ATOM 1553 CE1 HIS C 101 -3.703 0.189 -6.680 1.00 0.00 C ATOM 1554 NE2 HIS C 101 -4.104 1.399 -7.011 1.00 0.00 N ATOM 0 H HIS C 101 0.110 -0.978 -7.585 1.00 0.00 H new ATOM 0 HA HIS C 101 0.940 1.381 -9.048 1.00 0.00 H new ATOM 0 HB2 HIS C 101 -1.174 1.569 -9.801 1.00 0.00 H new ATOM 0 HB3 HIS C 101 -1.059 -0.161 -9.548 1.00 0.00 H new ATOM 0 HD1 HIS C 101 -2.139 -1.065 -7.271 1.00 0.00 H new ATOM 0 HD2 HIS C 101 -3.218 2.785 -8.473 1.00 0.00 H new ATOM 0 HE1 HIS C 101 -4.195 -0.432 -5.946 1.00 0.00 H new ATOM 1562 N LEU C 102 0.208 1.569 -5.922 1.00 0.00 N ATOM 1563 CA LEU C 102 0.197 2.500 -4.800 1.00 0.00 C ATOM 1564 C LEU C 102 1.529 3.217 -4.781 1.00 0.00 C ATOM 1565 O LEU C 102 1.596 4.418 -4.545 1.00 0.00 O ATOM 1566 CB LEU C 102 -0.049 1.819 -3.448 1.00 0.00 C ATOM 1567 CG LEU C 102 -1.499 1.447 -3.153 1.00 0.00 C ATOM 1568 CD1 LEU C 102 -1.702 1.254 -1.655 1.00 0.00 C ATOM 1569 CD2 LEU C 102 -2.449 2.501 -3.695 1.00 0.00 C ATOM 0 H LEU C 102 0.262 0.583 -5.665 1.00 0.00 H new ATOM 0 HA LEU C 102 -0.632 3.193 -4.942 1.00 0.00 H new ATOM 0 HB2 LEU C 102 0.556 0.914 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU C 102 0.306 2.481 -2.658 1.00 0.00 H new ATOM 0 HG LEU C 102 -1.722 0.506 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU C 102 -2.741 0.989 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU C 102 -1.051 0.455 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU C 102 -1.459 2.179 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU C 102 -3.477 2.214 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU C 102 -2.232 3.462 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU C 102 -2.321 2.585 -4.774 1.00 0.00 H new ATOM 1581 N GLN C 103 2.589 2.469 -5.085 1.00 0.00 N ATOM 1582 CA GLN C 103 3.924 3.037 -5.160 1.00 0.00 C ATOM 1583 C GLN C 103 4.024 3.858 -6.434 1.00 0.00 C ATOM 1584 O GLN C 103 4.787 4.812 -6.512 1.00 0.00 O ATOM 1585 CB GLN C 103 4.996 1.947 -5.178 1.00 0.00 C ATOM 1586 CG GLN C 103 4.935 0.992 -4.001 1.00 0.00 C ATOM 1587 CD GLN C 103 5.998 -0.084 -4.086 1.00 0.00 C ATOM 1588 OE1 GLN C 103 5.571 -1.331 -4.201 1.00 0.00 O flip ATOM 1589 NE2 GLN C 103 7.192 0.207 -4.057 1.00 0.00 N flip ATOM 0 H GLN C 103 2.544 1.469 -5.282 1.00 0.00 H new ATOM 0 HA GLN C 103 4.091 3.658 -4.280 1.00 0.00 H new ATOM 0 HB2 GLN C 103 4.900 1.375 -6.101 1.00 0.00 H new ATOM 0 HB3 GLN C 103 5.978 2.420 -5.197 1.00 0.00 H new ATOM 0 HG2 GLN C 103 5.059 1.551 -3.074 1.00 0.00 H new ATOM 0 HG3 GLN C 103 3.950 0.526 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN C 103 7.477 1.182 -3.967 1.00 0.00 H new ATOM 0 HE22 GLN C 103 7.897 -0.527 -4.123 1.00 0.00 H new ATOM 1598 N ALA C 104 3.221 3.472 -7.428 1.00 0.00 N ATOM 1599 CA ALA C 104 3.170 4.168 -8.705 1.00 0.00 C ATOM 1600 C ALA C 104 2.763 5.609 -8.474 1.00 0.00 C ATOM 1601 O ALA C 104 3.485 6.540 -8.825 1.00 0.00 O ATOM 1602 CB ALA C 104 2.174 3.490 -9.633 1.00 0.00 C ATOM 0 H ALA C 104 2.592 2.671 -7.366 1.00 0.00 H new ATOM 0 HA ALA C 104 4.155 4.138 -9.170 1.00 0.00 H new ATOM 0 HB1 ALA C 104 2.145 4.020 -10.585 1.00 0.00 H new ATOM 0 HB2 ALA C 104 2.479 2.457 -9.802 1.00 0.00 H new ATOM 0 HB3 ALA C 104 1.184 3.506 -9.178 1.00 0.00 H new ATOM 1608 N ALA C 105 1.605 5.776 -7.845 1.00 0.00 N ATOM 1609 CA ALA C 105 1.099 7.093 -7.520 1.00 0.00 C ATOM 1610 C ALA C 105 2.066 7.778 -6.572 1.00 0.00 C ATOM 1611 O ALA C 105 2.409 8.945 -6.742 1.00 0.00 O ATOM 1612 CB ALA C 105 -0.285 6.994 -6.895 1.00 0.00 C ATOM 0 H ALA C 105 1.001 5.008 -7.551 1.00 0.00 H new ATOM 0 HA ALA C 105 1.012 7.682 -8.433 1.00 0.00 H new ATOM 0 HB1 ALA C 105 -0.649 7.993 -6.657 1.00 0.00 H new ATOM 0 HB2 ALA C 105 -0.968 6.516 -7.597 1.00 0.00 H new ATOM 0 HB3 ALA C 105 -0.230 6.401 -5.982 1.00 0.00 H new ATOM 1618 N PHE C 106 2.517 7.013 -5.577 1.00 0.00 N ATOM 1619 CA PHE C 106 3.464 7.492 -4.571 1.00 0.00 C ATOM 1620 C PHE C 106 4.705 8.105 -5.202 1.00 0.00 C ATOM 1621 O PHE C 106 5.339 8.938 -4.591 1.00 0.00 O ATOM 1622 CB PHE C 106 3.905 6.341 -3.665 1.00 0.00 C ATOM 1623 CG PHE C 106 3.624 6.537 -2.200 1.00 0.00 C ATOM 1624 CD1 PHE C 106 3.485 7.808 -1.657 1.00 0.00 C ATOM 1625 CD2 PHE C 106 3.515 5.437 -1.357 1.00 0.00 C ATOM 1626 CE1 PHE C 106 3.235 7.974 -0.311 1.00 0.00 C ATOM 1627 CE2 PHE C 106 3.265 5.603 -0.009 1.00 0.00 C ATOM 1628 CZ PHE C 106 3.126 6.870 0.513 1.00 0.00 C ATOM 0 H PHE C 106 2.235 6.042 -5.446 1.00 0.00 H new ATOM 0 HA PHE C 106 2.947 8.258 -3.993 1.00 0.00 H new ATOM 0 HB2 PHE C 106 3.408 5.429 -3.995 1.00 0.00 H new ATOM 0 HB3 PHE C 106 4.976 6.186 -3.796 1.00 0.00 H new ATOM 0 HD1 PHE C 106 3.574 8.675 -2.295 1.00 0.00 H new ATOM 0 HD2 PHE C 106 3.627 4.442 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE C 106 3.124 8.967 0.099 1.00 0.00 H new ATOM 0 HE2 PHE C 106 3.179 4.740 0.635 1.00 0.00 H new ATOM 0 HZ PHE C 106 2.932 7.001 1.567 1.00 0.00 H new ATOM 1638 N SER C 107 5.061 7.678 -6.412 1.00 0.00 N ATOM 1639 CA SER C 107 6.248 8.194 -7.095 1.00 0.00 C ATOM 1640 C SER C 107 6.227 9.722 -7.162 1.00 0.00 C ATOM 1641 O SER C 107 7.265 10.373 -7.016 1.00 0.00 O ATOM 1642 CB SER C 107 6.352 7.600 -8.504 1.00 0.00 C ATOM 1643 OG SER C 107 7.531 8.028 -9.161 1.00 0.00 O ATOM 0 H SER C 107 4.544 6.975 -6.941 1.00 0.00 H new ATOM 0 HA SER C 107 7.124 7.894 -6.520 1.00 0.00 H new ATOM 0 HB2 SER C 107 6.343 6.512 -8.443 1.00 0.00 H new ATOM 0 HB3 SER C 107 5.481 7.894 -9.089 1.00 0.00 H new ATOM 0 HG SER C 107 7.569 7.631 -10.056 1.00 0.00 H new ATOM 1649 N GLN C 108 5.049 10.296 -7.371 1.00 0.00 N ATOM 1650 CA GLN C 108 4.928 11.745 -7.445 1.00 0.00 C ATOM 1651 C GLN C 108 4.732 12.359 -6.059 1.00 0.00 C ATOM 1652 O GLN C 108 5.240 13.440 -5.778 1.00 0.00 O ATOM 1653 CB GLN C 108 3.793 12.148 -8.395 1.00 0.00 C ATOM 1654 CG GLN C 108 2.419 11.619 -8.010 1.00 0.00 C ATOM 1655 CD GLN C 108 1.361 11.930 -9.046 1.00 0.00 C ATOM 1656 OE1 GLN C 108 1.135 13.091 -9.390 1.00 0.00 O ATOM 1657 NE2 GLN C 108 0.703 10.894 -9.548 1.00 0.00 N ATOM 0 H GLN C 108 4.173 9.787 -7.491 1.00 0.00 H new ATOM 0 HA GLN C 108 5.862 12.138 -7.847 1.00 0.00 H new ATOM 0 HB2 GLN C 108 3.747 13.236 -8.443 1.00 0.00 H new ATOM 0 HB3 GLN C 108 4.035 11.795 -9.397 1.00 0.00 H new ATOM 0 HG2 GLN C 108 2.477 10.540 -7.868 1.00 0.00 H new ATOM 0 HG3 GLN C 108 2.123 12.051 -7.054 1.00 0.00 H new ATOM 0 HE21 GLN C 108 0.923 9.949 -9.234 1.00 0.00 H new ATOM 0 HE22 GLN C 108 -0.024 11.042 -10.248 1.00 0.00 H new ATOM 1666 N TYR C 109 4.005 11.668 -5.189 1.00 0.00 N ATOM 1667 CA TYR C 109 3.755 12.163 -3.834 1.00 0.00 C ATOM 1668 C TYR C 109 5.006 12.028 -2.966 1.00 0.00 C ATOM 1669 O TYR C 109 5.152 12.698 -1.945 1.00 0.00 O ATOM 1670 CB TYR C 109 2.580 11.411 -3.223 1.00 0.00 C ATOM 1671 CG TYR C 109 1.391 11.417 -4.143 1.00 0.00 C ATOM 1672 CD1 TYR C 109 0.826 12.610 -4.578 1.00 0.00 C ATOM 1673 CD2 TYR C 109 0.873 10.233 -4.631 1.00 0.00 C ATOM 1674 CE1 TYR C 109 -0.213 12.616 -5.470 1.00 0.00 C ATOM 1675 CE2 TYR C 109 -0.181 10.229 -5.519 1.00 0.00 C ATOM 1676 CZ TYR C 109 -0.718 11.426 -5.941 1.00 0.00 C ATOM 1677 OH TYR C 109 -1.745 11.440 -6.850 1.00 0.00 O ATOM 0 H TYR C 109 3.578 10.765 -5.394 1.00 0.00 H new ATOM 0 HA TYR C 109 3.504 13.223 -3.884 1.00 0.00 H new ATOM 0 HB2 TYR C 109 2.874 10.383 -3.011 1.00 0.00 H new ATOM 0 HB3 TYR C 109 2.309 11.867 -2.271 1.00 0.00 H new ATOM 0 HD1 TYR C 109 1.213 13.547 -4.207 1.00 0.00 H new ATOM 0 HD2 TYR C 109 1.301 9.295 -4.311 1.00 0.00 H new ATOM 0 HE1 TYR C 109 -0.635 13.553 -5.803 1.00 0.00 H new ATOM 0 HE2 TYR C 109 -0.583 9.295 -5.882 1.00 0.00 H new ATOM 0 HH TYR C 109 -2.317 12.219 -6.686 1.00 0.00 H new ATOM 1687 N LYS C 110 5.903 11.158 -3.407 1.00 0.00 N ATOM 1688 CA LYS C 110 7.168 10.897 -2.732 1.00 0.00 C ATOM 1689 C LYS C 110 8.043 12.154 -2.755 1.00 0.00 C ATOM 1690 O LYS C 110 8.681 12.501 -1.761 1.00 0.00 O ATOM 1691 CB LYS C 110 7.878 9.708 -3.415 1.00 0.00 C ATOM 1692 CG LYS C 110 9.355 9.559 -3.086 1.00 0.00 C ATOM 1693 CD LYS C 110 9.560 8.773 -1.804 1.00 0.00 C ATOM 1694 CE LYS C 110 11.015 8.759 -1.375 1.00 0.00 C ATOM 1695 NZ LYS C 110 11.182 8.170 -0.019 1.00 0.00 N ATOM 0 H LYS C 110 5.772 10.606 -4.255 1.00 0.00 H new ATOM 0 HA LYS C 110 6.983 10.637 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS C 110 7.365 8.789 -3.133 1.00 0.00 H new ATOM 0 HB3 LYS C 110 7.772 9.814 -4.495 1.00 0.00 H new ATOM 0 HG2 LYS C 110 9.864 9.056 -3.908 1.00 0.00 H new ATOM 0 HG3 LYS C 110 9.808 10.545 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS C 110 8.952 9.208 -1.011 1.00 0.00 H new ATOM 0 HD3 LYS C 110 9.214 7.749 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS C 110 11.601 8.188 -2.095 1.00 0.00 H new ATOM 0 HE3 LYS C 110 11.406 9.776 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS C 110 12.189 8.177 0.241 1.00 0.00 H new ATOM 0 HZ2 LYS C 110 10.642 8.730 0.672 1.00 0.00 H new ATOM 0 HZ3 LYS C 110 10.832 7.191 -0.020 1.00 0.00 H new ATOM 1709 N LYS C 111 8.045 12.847 -3.889 1.00 0.00 N ATOM 1710 CA LYS C 111 8.822 14.074 -4.031 1.00 0.00 C ATOM 1711 C LYS C 111 7.957 15.299 -3.741 1.00 0.00 C ATOM 1712 O LYS C 111 8.162 16.378 -4.299 1.00 0.00 O ATOM 1713 CB LYS C 111 9.472 14.150 -5.423 1.00 0.00 C ATOM 1714 CG LYS C 111 8.542 13.818 -6.589 1.00 0.00 C ATOM 1715 CD LYS C 111 7.686 15.005 -7.005 1.00 0.00 C ATOM 1716 CE LYS C 111 6.799 14.667 -8.193 1.00 0.00 C ATOM 1717 NZ LYS C 111 7.587 14.329 -9.407 1.00 0.00 N ATOM 0 H LYS C 111 7.519 12.581 -4.721 1.00 0.00 H new ATOM 0 HA LYS C 111 9.627 14.061 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS C 111 9.868 15.155 -5.568 1.00 0.00 H new ATOM 0 HB3 LYS C 111 10.321 13.467 -5.449 1.00 0.00 H new ATOM 0 HG2 LYS C 111 9.136 13.486 -7.440 1.00 0.00 H new ATOM 0 HG3 LYS C 111 7.894 12.987 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS C 111 7.066 15.319 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS C 111 8.330 15.847 -7.259 1.00 0.00 H new ATOM 0 HE2 LYS C 111 6.155 13.826 -7.935 1.00 0.00 H new ATOM 0 HE3 LYS C 111 6.147 15.513 -8.410 1.00 0.00 H new ATOM 0 HZ1 LYS C 111 6.964 14.339 -10.239 1.00 0.00 H new ATOM 0 HZ2 LYS C 111 8.346 15.029 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS C 111 8.004 13.383 -9.298 1.00 0.00 H new ATOM 1731 N VAL C 112 6.997 15.114 -2.845 1.00 0.00 N ATOM 1732 CA VAL C 112 6.097 16.180 -2.446 1.00 0.00 C ATOM 1733 C VAL C 112 6.586 16.858 -1.165 1.00 0.00 C ATOM 1734 O VAL C 112 6.555 18.088 -1.060 1.00 0.00 O ATOM 1735 CB VAL C 112 4.649 15.652 -2.294 1.00 0.00 C ATOM 1736 CG1 VAL C 112 3.784 16.567 -1.448 1.00 0.00 C ATOM 1737 CG2 VAL C 112 4.022 15.484 -3.667 1.00 0.00 C ATOM 0 H VAL C 112 6.823 14.224 -2.378 1.00 0.00 H new ATOM 0 HA VAL C 112 6.091 16.934 -3.233 1.00 0.00 H new ATOM 0 HB VAL C 112 4.704 14.691 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL C 112 2.779 16.151 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL C 112 4.215 16.656 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL C 112 3.735 17.552 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL C 112 3.003 15.112 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL C 112 4.005 16.446 -4.179 1.00 0.00 H new ATOM 0 HG23 VAL C 112 4.607 14.773 -4.250 1.00 0.00 H new ATOM 1747 N GLU C 113 7.070 16.081 -0.193 1.00 0.00 N ATOM 1748 CA GLU C 113 7.574 16.694 1.029 1.00 0.00 C ATOM 1749 C GLU C 113 9.080 16.730 1.040 1.00 0.00 C ATOM 1750 O GLU C 113 9.765 15.734 1.293 1.00 0.00 O ATOM 1751 CB GLU C 113 7.098 16.018 2.288 1.00 0.00 C ATOM 1752 CG GLU C 113 7.288 16.902 3.512 1.00 0.00 C ATOM 1753 CD GLU C 113 7.397 16.132 4.801 1.00 0.00 C ATOM 1754 OE1 GLU C 113 7.453 14.892 4.758 1.00 0.00 O ATOM 1755 OE2 GLU C 113 7.456 16.778 5.861 1.00 0.00 O ATOM 0 H GLU C 113 7.122 15.063 -0.227 1.00 0.00 H new ATOM 0 HA GLU C 113 7.170 17.706 1.024 1.00 0.00 H new ATOM 0 HB2 GLU C 113 6.044 15.761 2.186 1.00 0.00 H new ATOM 0 HB3 GLU C 113 7.642 15.084 2.427 1.00 0.00 H new ATOM 0 HG2 GLU C 113 8.188 17.502 3.380 1.00 0.00 H new ATOM 0 HG3 GLU C 113 6.450 17.595 3.583 1.00 0.00 H new ATOM 1762 N LEU C 114 9.555 17.903 0.742 1.00 0.00 N ATOM 1763 CA LEU C 114 10.977 18.219 0.669 1.00 0.00 C ATOM 1764 C LEU C 114 11.165 19.728 0.599 1.00 0.00 C ATOM 1765 O LEU C 114 12.091 20.280 1.191 1.00 0.00 O ATOM 1766 CB LEU C 114 11.602 17.552 -0.556 1.00 0.00 C ATOM 1767 CG LEU C 114 10.589 17.026 -1.573 1.00 0.00 C ATOM 1768 CD1 LEU C 114 9.839 18.135 -2.272 1.00 0.00 C ATOM 1769 CD2 LEU C 114 11.227 16.108 -2.568 1.00 0.00 C ATOM 0 H LEU C 114 8.956 18.702 0.534 1.00 0.00 H new ATOM 0 HA LEU C 114 11.473 17.840 1.563 1.00 0.00 H new ATOM 0 HB2 LEU C 114 12.257 18.269 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU C 114 12.229 16.724 -0.224 1.00 0.00 H new ATOM 0 HG LEU C 114 9.858 16.452 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU C 114 9.133 17.705 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU C 114 9.297 18.728 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU C 114 10.545 18.773 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU C 114 10.474 15.756 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU C 114 12.008 16.643 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU C 114 11.664 15.255 -2.048 1.00 0.00 H new