USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 798 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: C 40 GLN : amide:sc= 0.0862 K(o=0.19,f=-1.5) USER MOD Set 1.2: C 43 ASN : amide:sc= 0.0992 K(o=0.19,f=-0.44) USER MOD Set 2.1: B 23 ASN : amide:sc= -0.0872 X(o=-0.087,f=-0.23) USER MOD Set 2.2: B 55 GLN : amide:sc= 0 X(o=-0.087,f=-0.36) USER MOD Set 3.1: A 14 ASN : amide:sc= -0.373! C(o=0.77!,f=-1!) USER MOD Set 3.2: A 28 SER OG : rot -140:sc= 1.14 USER MOD Set 4.1: A 18 HIS : no HD1:sc= 0 X(o=0.018,f=0.0055) USER MOD Set 4.2: A 20 SER OG : rot 180:sc= 0.0178 USER MOD Set 4.3: A 22 ASN : amide:sc= 0 X(o=0.018,f=0.0052) USER MOD Single : A 10 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.28) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 ASN : amide:sc= -3.6! C(o=-3.6!,f=-6.3!) USER MOD Single : B 26 GLN : amide:sc= -2.2! C(o=-2.2!,f=-2.4!) USER MOD Single : B 32 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : B 33 SER OG : rot 74:sc= 1.28 USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : B 41 SER OG : rot -158:sc= 0.216 USER MOD Single : B 43 ASN : amide:sc=-0.00275 X(o=-0.0028,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 ASN : amide:sc= -2.9! C(o=-2.9!,f=-11!) USER MOD Single : C 18 TYR OH : rot 180:sc= 0 USER MOD Single : C 21 ASN :FLIP amide:sc= 0.0242 F(o=-0.51,f=0.024) USER MOD Single : C 23 ASN :FLIP amide:sc= -0.263 F(o=-4.4!,f=-0.26) USER MOD Single : C 26 GLN :FLIP amide:sc= 0.518 F(o=-0.2,f=0.52) USER MOD Single : C 32 HIS : no HD1:sc= 1.11 K(o=1.1,f=-5.4!) USER MOD Single : C 33 SER OG : rot 56:sc= 1.31 USER MOD Single : C 35 HIS : no HD1:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : C 39 SER OG : rot 180:sc= 0 USER MOD Single : C 41 SER OG : rot -145:sc= 0.376 USER MOD Single : C 49 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.137) USER MOD Single : C 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 52 ASN :FLIP amide:sc= -0.418 F(o=-1.2,f=-0.42) USER MOD Single : C 55 GLN : amide:sc= -0.204 K(o=-0.2,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 10 -16.172 9.528 7.930 1.00 0.00 N ATOM 2 CA GLN A 10 -15.602 9.005 6.669 1.00 0.00 C ATOM 3 C GLN A 10 -15.002 7.628 6.872 1.00 0.00 C ATOM 4 O GLN A 10 -15.035 7.073 7.967 1.00 0.00 O ATOM 5 CB GLN A 10 -14.521 9.936 6.126 1.00 0.00 C ATOM 6 CG GLN A 10 -15.044 11.144 5.370 1.00 0.00 C ATOM 7 CD GLN A 10 -15.778 12.120 6.263 1.00 0.00 C ATOM 8 OE1 GLN A 10 -16.987 12.013 6.458 1.00 0.00 O ATOM 9 NE2 GLN A 10 -15.049 13.071 6.820 1.00 0.00 N ATOM 0 HA GLN A 10 -16.420 8.942 5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.908 10.283 6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.868 9.366 5.465 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.210 11.655 4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -15.713 10.809 4.577 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.048 13.123 6.631 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.487 13.753 7.439 1.00 0.00 H new ATOM 18 N ARG A 11 -14.474 7.085 5.794 1.00 0.00 N ATOM 19 CA ARG A 11 -13.845 5.781 5.798 1.00 0.00 C ATOM 20 C ARG A 11 -12.699 5.734 4.785 1.00 0.00 C ATOM 21 O ARG A 11 -12.599 4.815 3.973 1.00 0.00 O ATOM 22 CB ARG A 11 -14.887 4.743 5.456 1.00 0.00 C ATOM 23 CG ARG A 11 -15.539 5.026 4.127 1.00 0.00 C ATOM 24 CD ARG A 11 -16.195 3.790 3.549 1.00 0.00 C ATOM 25 NE ARG A 11 -17.214 3.233 4.439 1.00 0.00 N ATOM 26 CZ ARG A 11 -18.177 2.401 4.042 1.00 0.00 C ATOM 27 NH1 ARG A 11 -18.350 2.145 2.753 1.00 0.00 N ATOM 28 NH2 ARG A 11 -18.995 1.860 4.933 1.00 0.00 N ATOM 0 H ARG A 11 -14.470 7.541 4.882 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.429 5.579 6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.424 3.757 5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.647 4.719 6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -16.285 5.811 4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.792 5.402 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -16.650 4.038 2.590 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -15.434 3.035 3.355 1.00 0.00 H new ATOM 0 HE ARG A 11 -17.186 3.498 5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -17.745 2.585 2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -19.088 1.508 2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -18.888 2.080 5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.732 1.224 4.629 1.00 0.00 H new ATOM 42 N LEU A 12 -11.848 6.735 4.846 1.00 0.00 N ATOM 43 CA LEU A 12 -10.688 6.834 3.957 1.00 0.00 C ATOM 44 C LEU A 12 -9.683 5.754 4.306 1.00 0.00 C ATOM 45 O LEU A 12 -9.687 5.236 5.421 1.00 0.00 O ATOM 46 CB LEU A 12 -9.996 8.206 4.072 1.00 0.00 C ATOM 47 CG LEU A 12 -10.682 9.398 3.387 1.00 0.00 C ATOM 48 CD1 LEU A 12 -10.890 9.141 1.912 1.00 0.00 C ATOM 49 CD2 LEU A 12 -12.003 9.722 4.037 1.00 0.00 C ATOM 0 H LEU A 12 -11.931 7.506 5.508 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.047 6.710 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.887 8.442 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.991 8.113 3.661 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.017 10.254 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.377 10.004 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.926 8.975 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.517 8.259 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.461 10.570 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.664 8.858 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.841 9.973 5.085 1.00 0.00 H new ATOM 61 N ALA A 13 -8.825 5.415 3.363 1.00 0.00 N ATOM 62 CA ALA A 13 -7.835 4.388 3.601 1.00 0.00 C ATOM 63 C ALA A 13 -6.426 4.932 3.482 1.00 0.00 C ATOM 64 O ALA A 13 -6.105 5.697 2.573 1.00 0.00 O ATOM 65 CB ALA A 13 -8.026 3.219 2.654 1.00 0.00 C ATOM 0 H ALA A 13 -8.795 5.833 2.433 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.976 4.036 4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.269 2.461 2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.017 2.790 2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.930 3.565 1.625 1.00 0.00 H new ATOM 71 N ASN A 14 -5.604 4.543 4.427 1.00 0.00 N ATOM 72 CA ASN A 14 -4.192 4.847 4.401 1.00 0.00 C ATOM 73 C ASN A 14 -3.477 3.679 3.760 1.00 0.00 C ATOM 74 O ASN A 14 -3.946 2.546 3.852 1.00 0.00 O ATOM 75 CB ASN A 14 -3.652 5.044 5.819 1.00 0.00 C ATOM 76 CG ASN A 14 -4.541 5.917 6.682 1.00 0.00 C ATOM 77 OD1 ASN A 14 -4.385 7.135 6.727 1.00 0.00 O ATOM 78 ND2 ASN A 14 -5.481 5.296 7.374 1.00 0.00 N ATOM 0 H ASN A 14 -5.897 4.003 5.241 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.029 5.767 3.840 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.538 4.070 6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.659 5.490 5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.110 5.830 7.973 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.577 4.283 7.309 1.00 0.00 H new ATOM 85 N PHE A 15 -2.358 3.933 3.122 1.00 0.00 N ATOM 86 CA PHE A 15 -1.601 2.857 2.520 1.00 0.00 C ATOM 87 C PHE A 15 -0.356 2.602 3.350 1.00 0.00 C ATOM 88 O PHE A 15 0.642 3.305 3.222 1.00 0.00 O ATOM 89 CB PHE A 15 -1.211 3.217 1.086 1.00 0.00 C ATOM 90 CG PHE A 15 -0.761 2.042 0.266 1.00 0.00 C ATOM 91 CD1 PHE A 15 -1.668 1.338 -0.508 1.00 0.00 C ATOM 92 CD2 PHE A 15 0.564 1.641 0.273 1.00 0.00 C ATOM 93 CE1 PHE A 15 -1.261 0.253 -1.260 1.00 0.00 C ATOM 94 CE2 PHE A 15 0.977 0.558 -0.476 1.00 0.00 C ATOM 95 CZ PHE A 15 0.063 -0.137 -1.243 1.00 0.00 C ATOM 0 H PHE A 15 -1.954 4.863 3.006 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.214 1.956 2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.064 3.686 0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.411 3.957 1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.705 1.640 -0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.282 2.182 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.977 -0.289 -1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.013 0.255 -0.462 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.384 -0.985 -1.829 1.00 0.00 H new ATOM 105 N LEU A 16 -0.422 1.605 4.209 1.00 0.00 N ATOM 106 CA LEU A 16 0.702 1.278 5.066 1.00 0.00 C ATOM 107 C LEU A 16 1.445 0.098 4.484 1.00 0.00 C ATOM 108 O LEU A 16 0.908 -0.634 3.658 1.00 0.00 O ATOM 109 CB LEU A 16 0.256 0.984 6.511 1.00 0.00 C ATOM 110 CG LEU A 16 -0.261 -0.433 6.793 1.00 0.00 C ATOM 111 CD1 LEU A 16 -0.730 -0.552 8.236 1.00 0.00 C ATOM 112 CD2 LEU A 16 -1.379 -0.798 5.851 1.00 0.00 C ATOM 0 H LEU A 16 -1.240 1.008 4.333 1.00 0.00 H new ATOM 0 HA LEU A 16 1.365 2.142 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.099 1.178 7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.528 1.693 6.777 1.00 0.00 H new ATOM 0 HG LEU A 16 0.562 -1.129 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.093 -1.563 8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.102 -0.339 8.908 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.535 0.161 8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.727 -1.807 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.203 -0.095 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.017 -0.757 4.824 1.00 0.00 H new ATOM 124 N VAL A 17 2.675 -0.077 4.890 1.00 0.00 N ATOM 125 CA VAL A 17 3.478 -1.137 4.346 1.00 0.00 C ATOM 126 C VAL A 17 4.510 -1.653 5.340 1.00 0.00 C ATOM 127 O VAL A 17 5.236 -0.882 5.973 1.00 0.00 O ATOM 128 CB VAL A 17 4.164 -0.675 3.043 1.00 0.00 C ATOM 129 CG1 VAL A 17 4.784 0.695 3.198 1.00 0.00 C ATOM 130 CG2 VAL A 17 5.207 -1.672 2.611 1.00 0.00 C ATOM 0 H VAL A 17 3.140 0.498 5.592 1.00 0.00 H new ATOM 0 HA VAL A 17 2.808 -1.968 4.124 1.00 0.00 H new ATOM 0 HB VAL A 17 3.396 -0.611 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.258 0.988 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.010 1.418 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.532 0.668 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.679 -1.329 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.962 -1.770 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.736 -2.640 2.438 1.00 0.00 H new ATOM 140 N HIS A 18 4.533 -2.971 5.482 1.00 0.00 N ATOM 141 CA HIS A 18 5.579 -3.656 6.221 1.00 0.00 C ATOM 142 C HIS A 18 6.868 -3.503 5.431 1.00 0.00 C ATOM 143 O HIS A 18 6.919 -3.878 4.260 1.00 0.00 O ATOM 144 CB HIS A 18 5.223 -5.138 6.402 1.00 0.00 C ATOM 145 CG HIS A 18 6.062 -5.861 7.415 1.00 0.00 C ATOM 146 ND1 HIS A 18 6.966 -6.851 7.084 1.00 0.00 N ATOM 147 CD2 HIS A 18 6.110 -5.750 8.764 1.00 0.00 C ATOM 148 CE1 HIS A 18 7.527 -7.316 8.186 1.00 0.00 C ATOM 149 NE2 HIS A 18 7.027 -6.665 9.218 1.00 0.00 N ATOM 0 H HIS A 18 3.827 -3.593 5.088 1.00 0.00 H new ATOM 0 HA HIS A 18 5.692 -3.226 7.216 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.176 -5.214 6.696 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.322 -5.642 5.441 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.533 -5.068 9.371 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.270 -8.098 8.234 1.00 0.00 H new ATOM 0 HE2 HIS A 18 7.280 -6.817 10.194 1.00 0.00 H new ATOM 158 N SER A 19 7.891 -2.979 6.087 1.00 0.00 N ATOM 159 CA SER A 19 9.076 -2.428 5.425 1.00 0.00 C ATOM 160 C SER A 19 9.705 -3.343 4.368 1.00 0.00 C ATOM 161 O SER A 19 10.376 -2.858 3.457 1.00 0.00 O ATOM 162 CB SER A 19 10.121 -2.079 6.483 1.00 0.00 C ATOM 163 OG SER A 19 11.117 -1.214 5.966 1.00 0.00 O ATOM 0 H SER A 19 7.928 -2.921 7.105 1.00 0.00 H new ATOM 0 HA SER A 19 8.737 -1.544 4.885 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.633 -1.605 7.335 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.587 -2.993 6.851 1.00 0.00 H new ATOM 0 HG SER A 19 11.769 -1.009 6.668 1.00 0.00 H new ATOM 169 N SER A 20 9.514 -4.650 4.472 1.00 0.00 N ATOM 170 CA SER A 20 10.216 -5.557 3.582 1.00 0.00 C ATOM 171 C SER A 20 9.452 -5.838 2.284 1.00 0.00 C ATOM 172 O SER A 20 9.959 -5.564 1.195 1.00 0.00 O ATOM 173 CB SER A 20 10.465 -6.866 4.327 1.00 0.00 C ATOM 174 OG SER A 20 9.273 -7.314 4.962 1.00 0.00 O ATOM 0 H SER A 20 8.894 -5.097 5.147 1.00 0.00 H new ATOM 0 HA SER A 20 11.153 -5.081 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.820 -7.625 3.631 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.249 -6.724 5.071 1.00 0.00 H new ATOM 0 HG SER A 20 9.450 -8.155 5.434 1.00 0.00 H new ATOM 180 N ASN A 21 8.233 -6.362 2.389 1.00 0.00 N ATOM 181 CA ASN A 21 7.490 -6.756 1.190 1.00 0.00 C ATOM 182 C ASN A 21 6.013 -6.360 1.235 1.00 0.00 C ATOM 183 O ASN A 21 5.413 -6.054 0.208 1.00 0.00 O ATOM 184 CB ASN A 21 7.600 -8.272 0.989 1.00 0.00 C ATOM 185 CG ASN A 21 6.950 -8.754 -0.299 1.00 0.00 C ATOM 186 OD1 ASN A 21 6.325 -9.812 -0.328 1.00 0.00 O ATOM 187 ND2 ASN A 21 7.122 -8.005 -1.378 1.00 0.00 N ATOM 0 H ASN A 21 7.745 -6.522 3.270 1.00 0.00 H new ATOM 0 HA ASN A 21 7.940 -6.219 0.355 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.652 -8.556 0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.135 -8.779 1.835 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.729 -8.301 -2.272 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.647 -7.133 -1.315 1.00 0.00 H new ATOM 194 N ASN A 22 5.434 -6.352 2.424 1.00 0.00 N ATOM 195 CA ASN A 22 3.980 -6.387 2.552 1.00 0.00 C ATOM 196 C ASN A 22 3.362 -4.998 2.580 1.00 0.00 C ATOM 197 O ASN A 22 3.261 -4.381 3.634 1.00 0.00 O ATOM 198 CB ASN A 22 3.577 -7.147 3.819 1.00 0.00 C ATOM 199 CG ASN A 22 4.273 -8.486 3.948 1.00 0.00 C ATOM 200 OD1 ASN A 22 5.372 -8.572 4.500 1.00 0.00 O ATOM 201 ND2 ASN A 22 3.642 -9.538 3.452 1.00 0.00 N ATOM 0 H ASN A 22 5.940 -6.322 3.309 1.00 0.00 H new ATOM 0 HA ASN A 22 3.600 -6.901 1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.809 -6.537 4.692 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.498 -7.302 3.816 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.064 -10.464 3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.733 -9.423 3.003 1.00 0.00 H new ATOM 208 N PHE A 23 2.945 -4.511 1.423 1.00 0.00 N ATOM 209 CA PHE A 23 2.185 -3.285 1.347 1.00 0.00 C ATOM 210 C PHE A 23 0.701 -3.572 1.530 1.00 0.00 C ATOM 211 O PHE A 23 0.180 -4.557 1.002 1.00 0.00 O ATOM 212 CB PHE A 23 2.442 -2.580 0.013 1.00 0.00 C ATOM 213 CG PHE A 23 2.521 -3.498 -1.184 1.00 0.00 C ATOM 214 CD1 PHE A 23 1.399 -3.759 -1.964 1.00 0.00 C ATOM 215 CD2 PHE A 23 3.720 -4.102 -1.527 1.00 0.00 C ATOM 216 CE1 PHE A 23 1.479 -4.603 -3.057 1.00 0.00 C ATOM 217 CE2 PHE A 23 3.803 -4.946 -2.619 1.00 0.00 C ATOM 218 CZ PHE A 23 2.682 -5.197 -3.384 1.00 0.00 C ATOM 0 H PHE A 23 3.124 -4.953 0.521 1.00 0.00 H new ATOM 0 HA PHE A 23 2.508 -2.622 2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.648 -1.853 -0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.375 -2.022 0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.455 -3.298 -1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.602 -3.911 -0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.601 -4.797 -3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.745 -5.409 -2.873 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.746 -5.857 -4.237 1.00 0.00 H new ATOM 228 N GLY A 24 0.030 -2.733 2.297 1.00 0.00 N ATOM 229 CA GLY A 24 -1.379 -2.936 2.547 1.00 0.00 C ATOM 230 C GLY A 24 -2.146 -1.637 2.662 1.00 0.00 C ATOM 231 O GLY A 24 -1.725 -0.608 2.140 1.00 0.00 O ATOM 0 H GLY A 24 0.435 -1.914 2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.804 -3.534 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.502 -3.508 3.467 1.00 0.00 H new ATOM 235 N ALA A 25 -3.263 -1.686 3.367 1.00 0.00 N ATOM 236 CA ALA A 25 -4.122 -0.534 3.531 1.00 0.00 C ATOM 237 C ALA A 25 -4.752 -0.550 4.908 1.00 0.00 C ATOM 238 O ALA A 25 -4.644 -1.533 5.628 1.00 0.00 O ATOM 239 CB ALA A 25 -5.182 -0.504 2.441 1.00 0.00 C ATOM 0 H ALA A 25 -3.597 -2.526 3.840 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.524 0.373 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.820 0.369 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.699 -0.450 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.787 -1.409 2.497 1.00 0.00 H new ATOM 245 N ILE A 26 -5.362 0.552 5.289 1.00 0.00 N ATOM 246 CA ILE A 26 -6.003 0.657 6.589 1.00 0.00 C ATOM 247 C ILE A 26 -7.005 1.807 6.597 1.00 0.00 C ATOM 248 O ILE A 26 -6.699 2.904 6.144 1.00 0.00 O ATOM 249 CB ILE A 26 -4.958 0.832 7.705 1.00 0.00 C ATOM 250 CG1 ILE A 26 -5.640 1.034 9.055 1.00 0.00 C ATOM 251 CG2 ILE A 26 -4.020 1.987 7.401 1.00 0.00 C ATOM 252 CD1 ILE A 26 -4.686 0.907 10.207 1.00 0.00 C ATOM 0 H ILE A 26 -5.429 1.393 4.716 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.543 -0.270 6.780 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.363 -0.080 7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.105 2.020 9.080 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.440 0.302 9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.293 2.087 8.207 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.499 1.795 6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.595 2.909 7.315 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.223 1.060 11.143 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.240 -0.088 10.202 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.900 1.657 10.113 1.00 0.00 H new ATOM 264 N LEU A 27 -8.194 1.551 7.112 1.00 0.00 N ATOM 265 CA LEU A 27 -9.263 2.535 7.087 1.00 0.00 C ATOM 266 C LEU A 27 -9.219 3.467 8.281 1.00 0.00 C ATOM 267 O LEU A 27 -8.681 3.136 9.335 1.00 0.00 O ATOM 268 CB LEU A 27 -10.628 1.869 7.034 1.00 0.00 C ATOM 269 CG LEU A 27 -11.018 1.264 5.693 1.00 0.00 C ATOM 270 CD1 LEU A 27 -12.418 0.729 5.774 1.00 0.00 C ATOM 271 CD2 LEU A 27 -10.936 2.289 4.581 1.00 0.00 C ATOM 0 H LEU A 27 -8.445 0.667 7.554 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.106 3.123 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.657 1.083 7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.382 2.606 7.312 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.319 0.458 5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.698 0.296 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.470 -0.037 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.104 1.540 6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.221 1.825 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.613 3.116 4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.916 2.665 4.507 1.00 0.00 H new ATOM 283 N SER A 28 -9.776 4.643 8.074 1.00 0.00 N ATOM 284 CA SER A 28 -9.829 5.685 9.085 1.00 0.00 C ATOM 285 C SER A 28 -11.179 6.388 9.015 1.00 0.00 C ATOM 286 O SER A 28 -11.667 6.702 7.929 1.00 0.00 O ATOM 287 CB SER A 28 -8.704 6.698 8.864 1.00 0.00 C ATOM 288 OG SER A 28 -7.430 6.097 9.023 1.00 0.00 O ATOM 0 H SER A 28 -10.210 4.907 7.190 1.00 0.00 H new ATOM 0 HA SER A 28 -9.702 5.234 10.069 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.786 7.123 7.863 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.810 7.522 9.570 1.00 0.00 H new ATOM 0 HG SER A 28 -6.834 6.715 9.496 1.00 0.00 H new ATOM 294 N SER A 29 -11.779 6.618 10.173 1.00 0.00 N ATOM 295 CA SER A 29 -13.082 7.255 10.245 1.00 0.00 C ATOM 296 C SER A 29 -12.955 8.767 10.131 1.00 0.00 C ATOM 297 O SER A 29 -13.606 9.399 9.297 1.00 0.00 O ATOM 298 CB SER A 29 -13.767 6.883 11.557 1.00 0.00 C ATOM 299 OG SER A 29 -13.968 5.482 11.642 1.00 0.00 O ATOM 0 H SER A 29 -11.381 6.371 11.079 1.00 0.00 H new ATOM 0 HA SER A 29 -13.686 6.901 9.410 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.160 7.219 12.397 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.725 7.397 11.630 1.00 0.00 H new ATOM 0 HG SER A 29 -14.407 5.265 12.491 1.00 0.00 H new ATOM 305 N THR A 30 -12.133 9.344 10.986 1.00 0.00 N ATOM 306 CA THR A 30 -11.877 10.771 10.947 1.00 0.00 C ATOM 307 C THR A 30 -10.472 11.047 10.417 1.00 0.00 C ATOM 308 O THR A 30 -10.336 11.358 9.216 1.00 0.00 O ATOM 309 CB THR A 30 -12.051 11.403 12.341 1.00 0.00 C ATOM 310 OG1 THR A 30 -11.272 10.683 13.304 1.00 0.00 O ATOM 311 CG2 THR A 30 -13.514 11.393 12.761 1.00 0.00 C ATOM 0 H THR A 30 -11.629 8.844 11.719 1.00 0.00 H new ATOM 0 HA THR A 30 -12.604 11.224 10.273 1.00 0.00 H new ATOM 0 HB THR A 30 -11.709 12.437 12.292 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.386 11.091 14.188 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.612 11.844 13.748 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.103 11.962 12.042 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.876 10.365 12.794 1.00 0.00 H new TER 319 THR A 30 ATOM 320 N GLY B 13 15.510 -3.812 12.245 1.00 0.00 N ATOM 321 CA GLY B 13 14.173 -4.139 11.698 1.00 0.00 C ATOM 322 C GLY B 13 13.494 -2.920 11.120 1.00 0.00 C ATOM 323 O GLY B 13 13.776 -1.797 11.537 1.00 0.00 O ATOM 0 HA2 GLY B 13 14.272 -4.901 10.925 1.00 0.00 H new ATOM 0 HA3 GLY B 13 13.551 -4.563 12.486 1.00 0.00 H new ATOM 327 N GLY B 14 12.609 -3.133 10.158 1.00 0.00 N ATOM 328 CA GLY B 14 11.905 -2.028 9.540 1.00 0.00 C ATOM 329 C GLY B 14 10.618 -1.699 10.264 1.00 0.00 C ATOM 330 O GLY B 14 10.239 -2.389 11.213 1.00 0.00 O ATOM 0 H GLY B 14 12.365 -4.054 9.793 1.00 0.00 H new ATOM 0 HA2 GLY B 14 12.549 -1.149 9.529 1.00 0.00 H new ATOM 0 HA3 GLY B 14 11.684 -2.275 8.502 1.00 0.00 H new ATOM 334 N GLU B 15 9.943 -0.649 9.827 1.00 0.00 N ATOM 335 CA GLU B 15 8.688 -0.246 10.442 1.00 0.00 C ATOM 336 C GLU B 15 7.572 -0.213 9.404 1.00 0.00 C ATOM 337 O GLU B 15 7.828 -0.086 8.203 1.00 0.00 O ATOM 338 CB GLU B 15 8.841 1.127 11.100 1.00 0.00 C ATOM 339 CG GLU B 15 9.145 2.245 10.118 1.00 0.00 C ATOM 340 CD GLU B 15 9.368 3.576 10.801 1.00 0.00 C ATOM 341 OE1 GLU B 15 8.373 4.239 11.162 1.00 0.00 O ATOM 342 OE2 GLU B 15 10.542 3.969 10.973 1.00 0.00 O ATOM 0 H GLU B 15 10.242 -0.060 9.050 1.00 0.00 H new ATOM 0 HA GLU B 15 8.426 -0.976 11.208 1.00 0.00 H new ATOM 0 HB2 GLU B 15 7.923 1.367 11.637 1.00 0.00 H new ATOM 0 HB3 GLU B 15 9.640 1.078 11.840 1.00 0.00 H new ATOM 0 HG2 GLU B 15 10.032 1.985 9.540 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.320 2.337 9.412 1.00 0.00 H new ATOM 349 N ILE B 16 6.340 -0.341 9.873 1.00 0.00 N ATOM 350 CA ILE B 16 5.175 -0.302 9.003 1.00 0.00 C ATOM 351 C ILE B 16 4.770 1.141 8.748 1.00 0.00 C ATOM 352 O ILE B 16 4.149 1.780 9.599 1.00 0.00 O ATOM 353 CB ILE B 16 3.982 -1.065 9.617 1.00 0.00 C ATOM 354 CG1 ILE B 16 4.378 -2.509 9.931 1.00 0.00 C ATOM 355 CG2 ILE B 16 2.787 -1.031 8.672 1.00 0.00 C ATOM 356 CD1 ILE B 16 3.310 -3.283 10.672 1.00 0.00 C ATOM 0 H ILE B 16 6.121 -0.474 10.860 1.00 0.00 H new ATOM 0 HA ILE B 16 5.445 -0.787 8.065 1.00 0.00 H new ATOM 0 HB ILE B 16 3.698 -0.575 10.549 1.00 0.00 H new ATOM 0 HG12 ILE B 16 4.608 -3.025 8.999 1.00 0.00 H new ATOM 0 HG13 ILE B 16 5.291 -2.505 10.526 1.00 0.00 H new ATOM 0 HG21 ILE B 16 1.954 -1.573 9.119 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.493 0.003 8.494 1.00 0.00 H new ATOM 0 HG23 ILE B 16 3.058 -1.499 7.726 1.00 0.00 H new ATOM 0 HD11 ILE B 16 3.661 -4.298 10.860 1.00 0.00 H new ATOM 0 HD12 ILE B 16 3.096 -2.791 11.621 1.00 0.00 H new ATOM 0 HD13 ILE B 16 2.402 -3.319 10.069 1.00 0.00 H new ATOM 368 N VAL B 17 5.125 1.652 7.583 1.00 0.00 N ATOM 369 CA VAL B 17 4.885 3.052 7.270 1.00 0.00 C ATOM 370 C VAL B 17 3.561 3.269 6.564 1.00 0.00 C ATOM 371 O VAL B 17 3.240 2.595 5.593 1.00 0.00 O ATOM 372 CB VAL B 17 6.011 3.678 6.424 1.00 0.00 C ATOM 373 CG1 VAL B 17 7.102 4.225 7.327 1.00 0.00 C ATOM 374 CG2 VAL B 17 6.590 2.676 5.441 1.00 0.00 C ATOM 0 H VAL B 17 5.579 1.122 6.839 1.00 0.00 H new ATOM 0 HA VAL B 17 4.858 3.552 8.238 1.00 0.00 H new ATOM 0 HB VAL B 17 5.582 4.498 5.848 1.00 0.00 H new ATOM 0 HG11 VAL B 17 7.892 4.665 6.718 1.00 0.00 H new ATOM 0 HG12 VAL B 17 6.683 4.988 7.983 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.516 3.416 7.929 1.00 0.00 H new ATOM 0 HG21 VAL B 17 7.381 3.151 4.861 1.00 0.00 H new ATOM 0 HG22 VAL B 17 7.000 1.826 5.987 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.805 2.330 4.769 1.00 0.00 H new ATOM 384 N TYR B 18 2.799 4.210 7.089 1.00 0.00 N ATOM 385 CA TYR B 18 1.542 4.633 6.491 1.00 0.00 C ATOM 386 C TYR B 18 1.786 5.782 5.522 1.00 0.00 C ATOM 387 O TYR B 18 2.218 6.861 5.934 1.00 0.00 O ATOM 388 CB TYR B 18 0.563 5.117 7.569 1.00 0.00 C ATOM 389 CG TYR B 18 0.320 4.145 8.701 1.00 0.00 C ATOM 390 CD1 TYR B 18 -0.817 3.350 8.730 1.00 0.00 C ATOM 391 CD2 TYR B 18 1.218 4.041 9.754 1.00 0.00 C ATOM 392 CE1 TYR B 18 -1.052 2.481 9.775 1.00 0.00 C ATOM 393 CE2 TYR B 18 0.994 3.170 10.799 1.00 0.00 C ATOM 394 CZ TYR B 18 -0.141 2.392 10.806 1.00 0.00 C ATOM 395 OH TYR B 18 -0.371 1.533 11.856 1.00 0.00 O ATOM 0 H TYR B 18 3.034 4.707 7.948 1.00 0.00 H new ATOM 0 HA TYR B 18 1.118 3.777 5.967 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.940 6.050 7.987 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.392 5.344 7.095 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -1.530 3.413 7.921 1.00 0.00 H new ATOM 0 HD2 TYR B 18 2.108 4.653 9.755 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.945 1.874 9.786 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.706 3.099 11.608 1.00 0.00 H new ATOM 0 HH TYR B 18 0.369 1.593 12.496 1.00 0.00 H new ATOM 405 N LEU B 19 1.539 5.555 4.243 1.00 0.00 N ATOM 406 CA LEU B 19 1.579 6.629 3.268 1.00 0.00 C ATOM 407 C LEU B 19 0.170 6.869 2.708 1.00 0.00 C ATOM 408 O LEU B 19 -0.191 6.318 1.671 1.00 0.00 O ATOM 409 CB LEU B 19 2.521 6.281 2.099 1.00 0.00 C ATOM 410 CG LEU B 19 3.924 5.790 2.420 1.00 0.00 C ATOM 411 CD1 LEU B 19 4.591 6.746 3.349 1.00 0.00 C ATOM 412 CD2 LEU B 19 3.926 4.371 2.974 1.00 0.00 C ATOM 0 H LEU B 19 1.309 4.639 3.857 1.00 0.00 H new ATOM 0 HA LEU B 19 1.949 7.525 3.767 1.00 0.00 H new ATOM 0 HB2 LEU B 19 2.032 5.516 1.495 1.00 0.00 H new ATOM 0 HB3 LEU B 19 2.615 7.169 1.474 1.00 0.00 H new ATOM 0 HG LEU B 19 4.492 5.751 1.490 1.00 0.00 H new ATOM 0 HD11 LEU B 19 5.596 6.391 3.577 1.00 0.00 H new ATOM 0 HD12 LEU B 19 4.651 7.728 2.879 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.015 6.819 4.271 1.00 0.00 H new ATOM 0 HD21 LEU B 19 4.950 4.065 3.188 1.00 0.00 H new ATOM 0 HD22 LEU B 19 3.338 4.338 3.891 1.00 0.00 H new ATOM 0 HD23 LEU B 19 3.491 3.693 2.240 1.00 0.00 H new ATOM 424 N PRO B 20 -0.654 7.685 3.383 1.00 0.00 N ATOM 425 CA PRO B 20 -1.982 8.038 2.892 1.00 0.00 C ATOM 426 C PRO B 20 -1.988 9.292 2.017 1.00 0.00 C ATOM 427 O PRO B 20 -2.886 9.479 1.195 1.00 0.00 O ATOM 428 CB PRO B 20 -2.753 8.290 4.182 1.00 0.00 C ATOM 429 CG PRO B 20 -1.736 8.810 5.145 1.00 0.00 C ATOM 430 CD PRO B 20 -0.395 8.267 4.712 1.00 0.00 C ATOM 0 HA PRO B 20 -2.401 7.260 2.253 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -3.555 9.011 4.028 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -3.214 7.374 4.551 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -1.728 9.900 5.145 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -1.970 8.492 6.161 1.00 0.00 H new ATOM 0 HD2 PRO B 20 0.357 9.055 4.662 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -0.025 7.517 5.410 1.00 0.00 H new ATOM 438 N ASN B 21 -0.975 10.134 2.179 1.00 0.00 N ATOM 439 CA ASN B 21 -0.938 11.428 1.501 1.00 0.00 C ATOM 440 C ASN B 21 -0.287 11.315 0.131 1.00 0.00 C ATOM 441 O ASN B 21 -0.147 12.308 -0.581 1.00 0.00 O ATOM 442 CB ASN B 21 -0.180 12.465 2.338 1.00 0.00 C ATOM 443 CG ASN B 21 -0.871 12.813 3.645 1.00 0.00 C ATOM 444 OD1 ASN B 21 -1.538 11.982 4.262 1.00 0.00 O ATOM 445 ND2 ASN B 21 -0.717 14.053 4.075 1.00 0.00 N ATOM 0 H ASN B 21 -0.168 9.946 2.773 1.00 0.00 H new ATOM 0 HA ASN B 21 -1.970 11.754 1.375 1.00 0.00 H new ATOM 0 HB2 ASN B 21 0.819 12.085 2.554 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -0.055 13.374 1.749 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -1.158 14.349 4.945 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -0.157 14.714 3.536 1.00 0.00 H new ATOM 452 N LEU B 22 0.117 10.108 -0.236 1.00 0.00 N ATOM 453 CA LEU B 22 0.733 9.880 -1.533 1.00 0.00 C ATOM 454 C LEU B 22 -0.293 9.963 -2.645 1.00 0.00 C ATOM 455 O LEU B 22 -1.478 9.699 -2.442 1.00 0.00 O ATOM 456 CB LEU B 22 1.406 8.512 -1.598 1.00 0.00 C ATOM 457 CG LEU B 22 2.633 8.332 -0.715 1.00 0.00 C ATOM 458 CD1 LEU B 22 3.262 6.976 -0.968 1.00 0.00 C ATOM 459 CD2 LEU B 22 3.649 9.420 -0.954 1.00 0.00 C ATOM 0 H LEU B 22 0.029 9.274 0.345 1.00 0.00 H new ATOM 0 HA LEU B 22 1.484 10.659 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU B 22 0.672 7.754 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU B 22 1.694 8.319 -2.631 1.00 0.00 H new ATOM 0 HG LEU B 22 2.309 8.395 0.324 1.00 0.00 H new ATOM 0 HD11 LEU B 22 4.139 6.857 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU B 22 2.540 6.192 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU B 22 3.560 6.903 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.512 9.261 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.968 9.398 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU B 22 3.203 10.389 -0.732 1.00 0.00 H new ATOM 471 N ASN B 23 0.184 10.326 -3.821 1.00 0.00 N ATOM 472 CA ASN B 23 -0.650 10.345 -5.016 1.00 0.00 C ATOM 473 C ASN B 23 -1.058 8.924 -5.357 1.00 0.00 C ATOM 474 O ASN B 23 -0.201 8.055 -5.530 1.00 0.00 O ATOM 475 CB ASN B 23 0.108 10.927 -6.210 1.00 0.00 C ATOM 476 CG ASN B 23 0.859 12.196 -5.888 1.00 0.00 C ATOM 477 OD1 ASN B 23 0.409 13.026 -5.101 1.00 0.00 O ATOM 478 ND2 ASN B 23 2.024 12.337 -6.488 1.00 0.00 N ATOM 0 H ASN B 23 1.150 10.614 -3.978 1.00 0.00 H new ATOM 0 HA ASN B 23 -1.522 10.966 -4.813 1.00 0.00 H new ATOM 0 HB2 ASN B 23 0.812 10.182 -6.581 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -0.598 11.127 -7.016 1.00 0.00 H new ATOM 0 HD21 ASN B 23 2.594 13.163 -6.307 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.355 11.620 -7.134 1.00 0.00 H new ATOM 485 N PRO B 24 -2.374 8.676 -5.448 1.00 0.00 N ATOM 486 CA PRO B 24 -2.927 7.367 -5.815 1.00 0.00 C ATOM 487 C PRO B 24 -2.262 6.779 -7.050 1.00 0.00 C ATOM 488 O PRO B 24 -2.008 5.579 -7.129 1.00 0.00 O ATOM 489 CB PRO B 24 -4.387 7.690 -6.117 1.00 0.00 C ATOM 490 CG PRO B 24 -4.700 8.843 -5.233 1.00 0.00 C ATOM 491 CD PRO B 24 -3.441 9.663 -5.179 1.00 0.00 C ATOM 0 HA PRO B 24 -2.779 6.626 -5.030 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -4.529 7.944 -7.167 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -5.034 6.839 -5.905 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -5.531 9.426 -5.629 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -4.992 8.507 -4.238 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -3.448 10.459 -5.924 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -3.313 10.138 -4.206 1.00 0.00 H new ATOM 499 N ASP B 25 -1.987 7.644 -8.010 1.00 0.00 N ATOM 500 CA ASP B 25 -1.352 7.238 -9.255 1.00 0.00 C ATOM 501 C ASP B 25 0.100 6.829 -9.041 1.00 0.00 C ATOM 502 O ASP B 25 0.564 5.851 -9.629 1.00 0.00 O ATOM 503 CB ASP B 25 -1.423 8.363 -10.286 1.00 0.00 C ATOM 504 CG ASP B 25 -2.836 8.632 -10.752 1.00 0.00 C ATOM 505 OD1 ASP B 25 -3.268 8.014 -11.747 1.00 0.00 O ATOM 506 OD2 ASP B 25 -3.525 9.461 -10.128 1.00 0.00 O ATOM 0 H ASP B 25 -2.195 8.641 -7.952 1.00 0.00 H new ATOM 0 HA ASP B 25 -1.898 6.371 -9.628 1.00 0.00 H new ATOM 0 HB2 ASP B 25 -1.006 9.273 -9.855 1.00 0.00 H new ATOM 0 HB3 ASP B 25 -0.804 8.104 -11.145 1.00 0.00 H new ATOM 511 N GLN B 26 0.824 7.556 -8.190 1.00 0.00 N ATOM 512 CA GLN B 26 2.244 7.280 -8.017 1.00 0.00 C ATOM 513 C GLN B 26 2.461 6.101 -7.071 1.00 0.00 C ATOM 514 O GLN B 26 3.546 5.530 -7.029 1.00 0.00 O ATOM 515 CB GLN B 26 3.029 8.523 -7.559 1.00 0.00 C ATOM 516 CG GLN B 26 3.044 8.780 -6.061 1.00 0.00 C ATOM 517 CD GLN B 26 4.012 9.880 -5.680 1.00 0.00 C ATOM 518 OE1 GLN B 26 5.011 10.109 -6.362 1.00 0.00 O ATOM 519 NE2 GLN B 26 3.733 10.559 -4.581 1.00 0.00 N ATOM 0 H GLN B 26 0.459 8.322 -7.624 1.00 0.00 H new ATOM 0 HA GLN B 26 2.639 7.005 -8.995 1.00 0.00 H new ATOM 0 HB2 GLN B 26 4.059 8.426 -7.902 1.00 0.00 H new ATOM 0 HB3 GLN B 26 2.609 9.398 -8.055 1.00 0.00 H new ATOM 0 HG2 GLN B 26 2.041 9.050 -5.730 1.00 0.00 H new ATOM 0 HG3 GLN B 26 3.316 7.862 -5.539 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.894 10.338 -4.044 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.356 11.304 -4.270 1.00 0.00 H new ATOM 528 N LEU B 27 1.425 5.731 -6.316 1.00 0.00 N ATOM 529 CA LEU B 27 1.454 4.483 -5.564 1.00 0.00 C ATOM 530 C LEU B 27 1.726 3.326 -6.506 1.00 0.00 C ATOM 531 O LEU B 27 2.582 2.485 -6.242 1.00 0.00 O ATOM 532 CB LEU B 27 0.130 4.243 -4.828 1.00 0.00 C ATOM 533 CG LEU B 27 -0.128 5.132 -3.624 1.00 0.00 C ATOM 534 CD1 LEU B 27 -1.520 4.888 -3.079 1.00 0.00 C ATOM 535 CD2 LEU B 27 0.909 4.862 -2.560 1.00 0.00 C ATOM 0 H LEU B 27 0.567 6.273 -6.212 1.00 0.00 H new ATOM 0 HA LEU B 27 2.249 4.554 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -0.687 4.377 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU B 27 0.101 3.204 -4.501 1.00 0.00 H new ATOM 0 HG LEU B 27 -0.058 6.176 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -1.691 5.532 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.257 5.111 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.615 3.845 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU B 27 0.721 5.502 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU B 27 0.854 3.817 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU B 27 1.902 5.072 -2.958 1.00 0.00 H new ATOM 547 N CYS B 28 1.009 3.319 -7.622 1.00 0.00 N ATOM 548 CA CYS B 28 1.189 2.309 -8.653 1.00 0.00 C ATOM 549 C CYS B 28 2.645 2.264 -9.106 1.00 0.00 C ATOM 550 O CYS B 28 3.198 1.193 -9.347 1.00 0.00 O ATOM 551 CB CYS B 28 0.275 2.610 -9.842 1.00 0.00 C ATOM 552 SG CYS B 28 0.394 1.408 -11.205 1.00 0.00 S ATOM 0 H CYS B 28 0.290 4.010 -7.836 1.00 0.00 H new ATOM 0 HA CYS B 28 0.926 1.335 -8.240 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -0.757 2.643 -9.492 1.00 0.00 H new ATOM 0 HB3 CYS B 28 0.514 3.602 -10.226 1.00 0.00 H new ATOM 557 N ALA B 29 3.264 3.437 -9.183 1.00 0.00 N ATOM 558 CA ALA B 29 4.651 3.551 -9.608 1.00 0.00 C ATOM 559 C ALA B 29 5.593 2.894 -8.603 1.00 0.00 C ATOM 560 O ALA B 29 6.425 2.065 -8.971 1.00 0.00 O ATOM 561 CB ALA B 29 5.021 5.014 -9.803 1.00 0.00 C ATOM 0 H ALA B 29 2.822 4.327 -8.954 1.00 0.00 H new ATOM 0 HA ALA B 29 4.758 3.028 -10.558 1.00 0.00 H new ATOM 0 HB1 ALA B 29 6.061 5.087 -10.121 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.377 5.454 -10.565 1.00 0.00 H new ATOM 0 HB3 ALA B 29 4.890 5.551 -8.863 1.00 0.00 H new ATOM 567 N PHE B 30 5.448 3.242 -7.329 1.00 0.00 N ATOM 568 CA PHE B 30 6.347 2.725 -6.303 1.00 0.00 C ATOM 569 C PHE B 30 6.108 1.246 -6.050 1.00 0.00 C ATOM 570 O PHE B 30 7.053 0.488 -5.845 1.00 0.00 O ATOM 571 CB PHE B 30 6.215 3.526 -5.010 1.00 0.00 C ATOM 572 CG PHE B 30 6.871 4.870 -5.100 1.00 0.00 C ATOM 573 CD1 PHE B 30 6.165 5.970 -5.552 1.00 0.00 C ATOM 574 CD2 PHE B 30 8.202 5.027 -4.753 1.00 0.00 C ATOM 575 CE1 PHE B 30 6.774 7.204 -5.655 1.00 0.00 C ATOM 576 CE2 PHE B 30 8.816 6.259 -4.850 1.00 0.00 C ATOM 577 CZ PHE B 30 8.102 7.348 -5.302 1.00 0.00 C ATOM 0 H PHE B 30 4.725 3.873 -6.984 1.00 0.00 H new ATOM 0 HA PHE B 30 7.367 2.837 -6.671 1.00 0.00 H new ATOM 0 HB2 PHE B 30 5.159 3.656 -4.772 1.00 0.00 H new ATOM 0 HB3 PHE B 30 6.659 2.962 -4.190 1.00 0.00 H new ATOM 0 HD1 PHE B 30 5.126 5.862 -5.827 1.00 0.00 H new ATOM 0 HD2 PHE B 30 8.766 4.175 -4.402 1.00 0.00 H new ATOM 0 HE1 PHE B 30 6.213 8.056 -6.011 1.00 0.00 H new ATOM 0 HE2 PHE B 30 9.854 6.370 -4.572 1.00 0.00 H new ATOM 0 HZ PHE B 30 8.580 8.313 -5.380 1.00 0.00 H new ATOM 587 N ILE B 31 4.851 0.832 -6.085 1.00 0.00 N ATOM 588 CA ILE B 31 4.517 -0.577 -5.934 1.00 0.00 C ATOM 589 C ILE B 31 5.078 -1.381 -7.100 1.00 0.00 C ATOM 590 O ILE B 31 5.578 -2.495 -6.929 1.00 0.00 O ATOM 591 CB ILE B 31 2.995 -0.783 -5.825 1.00 0.00 C ATOM 592 CG1 ILE B 31 2.463 -0.066 -4.583 1.00 0.00 C ATOM 593 CG2 ILE B 31 2.657 -2.265 -5.766 1.00 0.00 C ATOM 594 CD1 ILE B 31 0.958 0.025 -4.534 1.00 0.00 C ATOM 0 H ILE B 31 4.048 1.448 -6.216 1.00 0.00 H new ATOM 0 HA ILE B 31 4.970 -0.932 -5.008 1.00 0.00 H new ATOM 0 HB ILE B 31 2.520 -0.361 -6.711 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.816 -0.588 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE B 31 2.880 0.940 -4.548 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.577 -2.389 -5.689 1.00 0.00 H new ATOM 0 HG22 ILE B 31 3.015 -2.756 -6.671 1.00 0.00 H new ATOM 0 HG23 ILE B 31 3.136 -2.713 -4.896 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.654 0.546 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE B 31 0.598 0.574 -5.404 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.533 -0.979 -4.536 1.00 0.00 H new ATOM 606 N HIS B 32 5.018 -0.790 -8.280 1.00 0.00 N ATOM 607 CA HIS B 32 5.623 -1.380 -9.467 1.00 0.00 C ATOM 608 C HIS B 32 7.127 -1.498 -9.273 1.00 0.00 C ATOM 609 O HIS B 32 7.741 -2.482 -9.678 1.00 0.00 O ATOM 610 CB HIS B 32 5.315 -0.534 -10.711 1.00 0.00 C ATOM 611 CG HIS B 32 5.956 -1.043 -11.967 1.00 0.00 C ATOM 612 ND1 HIS B 32 6.992 -0.393 -12.603 1.00 0.00 N ATOM 613 CD2 HIS B 32 5.705 -2.153 -12.701 1.00 0.00 C ATOM 614 CE1 HIS B 32 7.350 -1.082 -13.671 1.00 0.00 C ATOM 615 NE2 HIS B 32 6.585 -2.153 -13.751 1.00 0.00 N ATOM 0 H HIS B 32 4.554 0.103 -8.445 1.00 0.00 H new ATOM 0 HA HIS B 32 5.201 -2.374 -9.616 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.235 -0.498 -10.855 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.648 0.489 -10.534 1.00 0.00 H new ATOM 0 HD2 HIS B 32 4.951 -2.899 -12.497 1.00 0.00 H new ATOM 0 HE1 HIS B 32 8.136 -0.814 -14.362 1.00 0.00 H new ATOM 0 HE2 HIS B 32 6.640 -2.867 -14.478 1.00 0.00 H new ATOM 624 N SER B 33 7.703 -0.498 -8.621 1.00 0.00 N ATOM 625 CA SER B 33 9.136 -0.462 -8.380 1.00 0.00 C ATOM 626 C SER B 33 9.554 -1.518 -7.354 1.00 0.00 C ATOM 627 O SER B 33 10.700 -1.948 -7.344 1.00 0.00 O ATOM 628 CB SER B 33 9.552 0.931 -7.910 1.00 0.00 C ATOM 629 OG SER B 33 9.156 1.924 -8.842 1.00 0.00 O ATOM 0 H SER B 33 7.195 0.304 -8.248 1.00 0.00 H new ATOM 0 HA SER B 33 9.644 -0.689 -9.317 1.00 0.00 H new ATOM 0 HB2 SER B 33 9.103 1.140 -6.939 1.00 0.00 H new ATOM 0 HB3 SER B 33 10.633 0.965 -7.775 1.00 0.00 H new ATOM 0 HG SER B 33 8.188 2.066 -8.778 1.00 0.00 H new ATOM 635 N ILE B 34 8.628 -1.933 -6.496 1.00 0.00 N ATOM 636 CA ILE B 34 8.905 -2.998 -5.530 1.00 0.00 C ATOM 637 C ILE B 34 9.024 -4.334 -6.244 1.00 0.00 C ATOM 638 O ILE B 34 9.862 -5.172 -5.909 1.00 0.00 O ATOM 639 CB ILE B 34 7.791 -3.116 -4.466 1.00 0.00 C ATOM 640 CG1 ILE B 34 7.628 -1.797 -3.702 1.00 0.00 C ATOM 641 CG2 ILE B 34 8.093 -4.255 -3.498 1.00 0.00 C ATOM 642 CD1 ILE B 34 8.874 -1.369 -2.950 1.00 0.00 C ATOM 0 H ILE B 34 7.683 -1.552 -6.447 1.00 0.00 H new ATOM 0 HA ILE B 34 9.841 -2.741 -5.034 1.00 0.00 H new ATOM 0 HB ILE B 34 6.854 -3.335 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE B 34 7.352 -1.012 -4.406 1.00 0.00 H new ATOM 0 HG13 ILE B 34 6.804 -1.896 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE B 34 7.297 -4.323 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE B 34 8.156 -5.193 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE B 34 9.042 -4.064 -2.996 1.00 0.00 H new ATOM 0 HD11 ILE B 34 8.682 -0.428 -2.434 1.00 0.00 H new ATOM 0 HD12 ILE B 34 9.140 -2.135 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE B 34 9.696 -1.236 -3.653 1.00 0.00 H new ATOM 654 N HIS B 35 8.171 -4.525 -7.231 1.00 0.00 N ATOM 655 CA HIS B 35 8.130 -5.768 -7.977 1.00 0.00 C ATOM 656 C HIS B 35 9.256 -5.813 -8.997 1.00 0.00 C ATOM 657 O HIS B 35 9.805 -6.874 -9.291 1.00 0.00 O ATOM 658 CB HIS B 35 6.779 -5.901 -8.670 1.00 0.00 C ATOM 659 CG HIS B 35 6.542 -7.252 -9.281 1.00 0.00 C ATOM 660 ND1 HIS B 35 6.630 -7.492 -10.634 1.00 0.00 N ATOM 661 CD2 HIS B 35 6.227 -8.438 -8.712 1.00 0.00 C ATOM 662 CE1 HIS B 35 6.380 -8.764 -10.870 1.00 0.00 C ATOM 663 NE2 HIS B 35 6.130 -9.363 -9.722 1.00 0.00 N ATOM 0 H HIS B 35 7.491 -3.829 -7.537 1.00 0.00 H new ATOM 0 HA HIS B 35 8.262 -6.602 -7.288 1.00 0.00 H new ATOM 0 HB2 HIS B 35 5.989 -5.695 -7.948 1.00 0.00 H new ATOM 0 HB3 HIS B 35 6.704 -5.142 -9.449 1.00 0.00 H new ATOM 0 HD2 HIS B 35 6.079 -8.623 -7.658 1.00 0.00 H new ATOM 0 HE1 HIS B 35 6.380 -9.237 -11.841 1.00 0.00 H new ATOM 0 HE2 HIS B 35 5.902 -10.350 -9.604 1.00 0.00 H new ATOM 672 N ASP B 36 9.590 -4.651 -9.527 1.00 0.00 N ATOM 673 CA ASP B 36 10.638 -4.541 -10.529 1.00 0.00 C ATOM 674 C ASP B 36 12.015 -4.471 -9.873 1.00 0.00 C ATOM 675 O ASP B 36 12.948 -5.158 -10.296 1.00 0.00 O ATOM 676 CB ASP B 36 10.396 -3.310 -11.400 1.00 0.00 C ATOM 677 CG ASP B 36 11.363 -3.217 -12.558 1.00 0.00 C ATOM 678 OD1 ASP B 36 11.219 -3.999 -13.520 1.00 0.00 O ATOM 679 OD2 ASP B 36 12.256 -2.348 -12.523 1.00 0.00 O ATOM 0 H ASP B 36 9.149 -3.765 -9.280 1.00 0.00 H new ATOM 0 HA ASP B 36 10.612 -5.431 -11.158 1.00 0.00 H new ATOM 0 HB2 ASP B 36 9.376 -3.336 -11.784 1.00 0.00 H new ATOM 0 HB3 ASP B 36 10.482 -2.413 -10.787 1.00 0.00 H new ATOM 684 N ASP B 37 12.140 -3.648 -8.837 1.00 0.00 N ATOM 685 CA ASP B 37 13.365 -3.526 -8.085 1.00 0.00 C ATOM 686 C ASP B 37 13.155 -3.967 -6.635 1.00 0.00 C ATOM 687 O ASP B 37 13.108 -3.133 -5.730 1.00 0.00 O ATOM 688 CB ASP B 37 13.823 -2.072 -8.107 1.00 0.00 C ATOM 689 CG ASP B 37 14.466 -1.660 -9.417 1.00 0.00 C ATOM 690 OD1 ASP B 37 13.962 -0.718 -10.062 1.00 0.00 O ATOM 691 OD2 ASP B 37 15.486 -2.268 -9.810 1.00 0.00 O ATOM 0 H ASP B 37 11.386 -3.048 -8.501 1.00 0.00 H new ATOM 0 HA ASP B 37 14.121 -4.166 -8.539 1.00 0.00 H new ATOM 0 HB2 ASP B 37 12.966 -1.427 -7.913 1.00 0.00 H new ATOM 0 HB3 ASP B 37 14.533 -1.911 -7.296 1.00 0.00 H new ATOM 696 N PRO B 38 13.051 -5.284 -6.380 1.00 0.00 N ATOM 697 CA PRO B 38 12.718 -5.796 -5.048 1.00 0.00 C ATOM 698 C PRO B 38 13.859 -5.627 -4.052 1.00 0.00 C ATOM 699 O PRO B 38 13.635 -5.538 -2.845 1.00 0.00 O ATOM 700 CB PRO B 38 12.433 -7.274 -5.302 1.00 0.00 C ATOM 701 CG PRO B 38 13.259 -7.613 -6.493 1.00 0.00 C ATOM 702 CD PRO B 38 13.265 -6.377 -7.351 1.00 0.00 C ATOM 0 HA PRO B 38 11.882 -5.258 -4.601 1.00 0.00 H new ATOM 0 HB2 PRO B 38 12.707 -7.885 -4.442 1.00 0.00 H new ATOM 0 HB3 PRO B 38 11.374 -7.447 -5.491 1.00 0.00 H new ATOM 0 HG2 PRO B 38 14.272 -7.891 -6.201 1.00 0.00 H new ATOM 0 HG3 PRO B 38 12.838 -8.462 -7.032 1.00 0.00 H new ATOM 0 HD2 PRO B 38 14.209 -6.262 -7.883 1.00 0.00 H new ATOM 0 HD3 PRO B 38 12.477 -6.406 -8.103 1.00 0.00 H new ATOM 710 N SER B 39 15.082 -5.572 -4.557 1.00 0.00 N ATOM 711 CA SER B 39 16.244 -5.383 -3.704 1.00 0.00 C ATOM 712 C SER B 39 16.328 -3.933 -3.235 1.00 0.00 C ATOM 713 O SER B 39 16.843 -3.645 -2.158 1.00 0.00 O ATOM 714 CB SER B 39 17.515 -5.784 -4.452 1.00 0.00 C ATOM 715 OG SER B 39 17.409 -7.109 -4.947 1.00 0.00 O ATOM 0 H SER B 39 15.295 -5.655 -5.551 1.00 0.00 H new ATOM 0 HA SER B 39 16.144 -6.020 -2.825 1.00 0.00 H new ATOM 0 HB2 SER B 39 17.689 -5.095 -5.278 1.00 0.00 H new ATOM 0 HB3 SER B 39 18.374 -5.707 -3.786 1.00 0.00 H new ATOM 0 HG SER B 39 18.231 -7.347 -5.424 1.00 0.00 H new ATOM 721 N GLN B 40 15.797 -3.026 -4.046 1.00 0.00 N ATOM 722 CA GLN B 40 15.792 -1.612 -3.720 1.00 0.00 C ATOM 723 C GLN B 40 14.607 -1.252 -2.830 1.00 0.00 C ATOM 724 O GLN B 40 14.477 -0.103 -2.418 1.00 0.00 O ATOM 725 CB GLN B 40 15.746 -0.765 -4.988 1.00 0.00 C ATOM 726 CG GLN B 40 16.810 -1.115 -6.003 1.00 0.00 C ATOM 727 CD GLN B 40 16.944 -0.070 -7.097 1.00 0.00 C ATOM 728 OE1 GLN B 40 15.853 0.618 -7.398 1.00 0.00 O flip ATOM 729 NE2 GLN B 40 18.021 0.122 -7.661 1.00 0.00 N flip ATOM 0 H GLN B 40 15.362 -3.251 -4.941 1.00 0.00 H new ATOM 0 HA GLN B 40 16.714 -1.402 -3.178 1.00 0.00 H new ATOM 0 HB2 GLN B 40 14.766 -0.877 -5.452 1.00 0.00 H new ATOM 0 HB3 GLN B 40 15.851 0.285 -4.715 1.00 0.00 H new ATOM 0 HG2 GLN B 40 17.768 -1.228 -5.495 1.00 0.00 H new ATOM 0 HG3 GLN B 40 16.573 -2.079 -6.454 1.00 0.00 H new ATOM 0 HE21 GLN B 40 18.839 -0.429 -7.400 1.00 0.00 H new ATOM 0 HE22 GLN B 40 18.096 0.832 -8.389 1.00 0.00 H new ATOM 738 N SER B 41 13.732 -2.234 -2.585 1.00 0.00 N ATOM 739 CA SER B 41 12.488 -2.042 -1.827 1.00 0.00 C ATOM 740 C SER B 41 12.666 -1.086 -0.642 1.00 0.00 C ATOM 741 O SER B 41 11.866 -0.166 -0.462 1.00 0.00 O ATOM 742 CB SER B 41 11.978 -3.401 -1.330 1.00 0.00 C ATOM 743 OG SER B 41 10.707 -3.294 -0.713 1.00 0.00 O ATOM 0 H SER B 41 13.867 -3.192 -2.909 1.00 0.00 H new ATOM 0 HA SER B 41 11.759 -1.588 -2.499 1.00 0.00 H new ATOM 0 HB2 SER B 41 11.917 -4.095 -2.168 1.00 0.00 H new ATOM 0 HB3 SER B 41 12.692 -3.820 -0.621 1.00 0.00 H new ATOM 0 HG SER B 41 10.569 -4.057 -0.114 1.00 0.00 H new ATOM 749 N ALA B 42 13.732 -1.292 0.134 1.00 0.00 N ATOM 750 CA ALA B 42 14.034 -0.458 1.298 1.00 0.00 C ATOM 751 C ALA B 42 14.042 1.028 0.953 1.00 0.00 C ATOM 752 O ALA B 42 13.556 1.861 1.717 1.00 0.00 O ATOM 753 CB ALA B 42 15.382 -0.842 1.868 1.00 0.00 C ATOM 0 H ALA B 42 14.408 -2.039 -0.026 1.00 0.00 H new ATOM 0 HA ALA B 42 13.248 -0.629 2.033 1.00 0.00 H new ATOM 0 HB1 ALA B 42 15.602 -0.218 2.734 1.00 0.00 H new ATOM 0 HB2 ALA B 42 15.364 -1.889 2.170 1.00 0.00 H new ATOM 0 HB3 ALA B 42 16.152 -0.696 1.111 1.00 0.00 H new ATOM 759 N ASN B 43 14.601 1.350 -0.199 1.00 0.00 N ATOM 760 CA ASN B 43 14.701 2.733 -0.645 1.00 0.00 C ATOM 761 C ASN B 43 13.404 3.191 -1.297 1.00 0.00 C ATOM 762 O ASN B 43 12.995 4.337 -1.125 1.00 0.00 O ATOM 763 CB ASN B 43 15.866 2.908 -1.623 1.00 0.00 C ATOM 764 CG ASN B 43 16.102 4.364 -1.991 1.00 0.00 C ATOM 765 OD1 ASN B 43 16.797 5.091 -1.281 1.00 0.00 O ATOM 766 ND2 ASN B 43 15.536 4.800 -3.107 1.00 0.00 N ATOM 0 H ASN B 43 14.996 0.670 -0.848 1.00 0.00 H new ATOM 0 HA ASN B 43 14.886 3.350 0.234 1.00 0.00 H new ATOM 0 HB2 ASN B 43 16.773 2.497 -1.180 1.00 0.00 H new ATOM 0 HB3 ASN B 43 15.665 2.335 -2.529 1.00 0.00 H new ATOM 0 HD21 ASN B 43 15.670 5.767 -3.403 1.00 0.00 H new ATOM 0 HD22 ASN B 43 14.966 4.169 -3.670 1.00 0.00 H new ATOM 773 N LEU B 44 12.749 2.296 -2.033 1.00 0.00 N ATOM 774 CA LEU B 44 11.497 2.643 -2.702 1.00 0.00 C ATOM 775 C LEU B 44 10.432 3.073 -1.699 1.00 0.00 C ATOM 776 O LEU B 44 9.688 4.021 -1.950 1.00 0.00 O ATOM 777 CB LEU B 44 10.964 1.493 -3.574 1.00 0.00 C ATOM 778 CG LEU B 44 11.565 1.380 -4.986 1.00 0.00 C ATOM 779 CD1 LEU B 44 11.884 2.754 -5.550 1.00 0.00 C ATOM 780 CD2 LEU B 44 12.798 0.500 -4.993 1.00 0.00 C ATOM 0 H LEU B 44 13.059 1.336 -2.181 1.00 0.00 H new ATOM 0 HA LEU B 44 11.722 3.484 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU B 44 11.141 0.554 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU B 44 9.884 1.606 -3.669 1.00 0.00 H new ATOM 0 HG LEU B 44 10.817 0.911 -5.626 1.00 0.00 H new ATOM 0 HD11 LEU B 44 12.308 2.648 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU B 44 10.970 3.346 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU B 44 12.603 3.255 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU B 44 13.197 0.441 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU B 44 13.552 0.924 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU B 44 12.533 -0.500 -4.649 1.00 0.00 H new ATOM 792 N LEU B 45 10.361 2.404 -0.550 1.00 0.00 N ATOM 793 CA LEU B 45 9.382 2.804 0.450 1.00 0.00 C ATOM 794 C LEU B 45 9.951 3.921 1.323 1.00 0.00 C ATOM 795 O LEU B 45 9.211 4.624 2.005 1.00 0.00 O ATOM 796 CB LEU B 45 8.892 1.624 1.308 1.00 0.00 C ATOM 797 CG LEU B 45 9.670 1.342 2.598 1.00 0.00 C ATOM 798 CD1 LEU B 45 8.775 0.638 3.602 1.00 0.00 C ATOM 799 CD2 LEU B 45 10.889 0.488 2.326 1.00 0.00 C ATOM 0 H LEU B 45 10.949 1.610 -0.296 1.00 0.00 H new ATOM 0 HA LEU B 45 8.507 3.178 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.850 1.804 1.572 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.914 0.724 0.693 1.00 0.00 H new ATOM 0 HG LEU B 45 10.000 2.298 3.006 1.00 0.00 H new ATOM 0 HD11 LEU B 45 9.337 0.442 4.515 1.00 0.00 H new ATOM 0 HD12 LEU B 45 7.918 1.271 3.832 1.00 0.00 H new ATOM 0 HD13 LEU B 45 8.427 -0.305 3.181 1.00 0.00 H new ATOM 0 HD21 LEU B 45 11.421 0.305 3.260 1.00 0.00 H new ATOM 0 HD22 LEU B 45 10.578 -0.463 1.893 1.00 0.00 H new ATOM 0 HD23 LEU B 45 11.548 1.006 1.629 1.00 0.00 H new ATOM 811 N ALA B 46 11.272 4.087 1.278 1.00 0.00 N ATOM 812 CA ALA B 46 11.935 5.202 1.952 1.00 0.00 C ATOM 813 C ALA B 46 11.494 6.514 1.332 1.00 0.00 C ATOM 814 O ALA B 46 11.184 7.485 2.027 1.00 0.00 O ATOM 815 CB ALA B 46 13.443 5.072 1.841 1.00 0.00 C ATOM 0 H ALA B 46 11.906 3.462 0.780 1.00 0.00 H new ATOM 0 HA ALA B 46 11.656 5.183 3.006 1.00 0.00 H new ATOM 0 HB1 ALA B 46 13.919 5.911 2.349 1.00 0.00 H new ATOM 0 HB2 ALA B 46 13.763 4.139 2.305 1.00 0.00 H new ATOM 0 HB3 ALA B 46 13.732 5.073 0.790 1.00 0.00 H new ATOM 821 N GLU B 47 11.487 6.522 0.010 1.00 0.00 N ATOM 822 CA GLU B 47 11.016 7.657 -0.764 1.00 0.00 C ATOM 823 C GLU B 47 9.584 7.967 -0.410 1.00 0.00 C ATOM 824 O GLU B 47 9.233 9.112 -0.145 1.00 0.00 O ATOM 825 CB GLU B 47 11.127 7.337 -2.246 1.00 0.00 C ATOM 826 CG GLU B 47 12.550 7.063 -2.654 1.00 0.00 C ATOM 827 CD GLU B 47 12.695 6.702 -4.117 1.00 0.00 C ATOM 828 OE1 GLU B 47 12.910 5.516 -4.427 1.00 0.00 O ATOM 829 OE2 GLU B 47 12.602 7.615 -4.968 1.00 0.00 O ATOM 0 H GLU B 47 11.809 5.739 -0.558 1.00 0.00 H new ATOM 0 HA GLU B 47 11.629 8.529 -0.534 1.00 0.00 H new ATOM 0 HB2 GLU B 47 10.509 6.470 -2.478 1.00 0.00 H new ATOM 0 HB3 GLU B 47 10.736 8.171 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU B 47 13.157 7.943 -2.442 1.00 0.00 H new ATOM 0 HG3 GLU B 47 12.945 6.249 -2.045 1.00 0.00 H new ATOM 836 N ALA B 48 8.777 6.924 -0.393 1.00 0.00 N ATOM 837 CA ALA B 48 7.372 7.038 -0.024 1.00 0.00 C ATOM 838 C ALA B 48 7.205 7.772 1.304 1.00 0.00 C ATOM 839 O ALA B 48 6.338 8.637 1.436 1.00 0.00 O ATOM 840 CB ALA B 48 6.733 5.663 0.046 1.00 0.00 C ATOM 0 H ALA B 48 9.071 5.977 -0.632 1.00 0.00 H new ATOM 0 HA ALA B 48 6.868 7.623 -0.794 1.00 0.00 H new ATOM 0 HB1 ALA B 48 5.683 5.763 0.323 1.00 0.00 H new ATOM 0 HB2 ALA B 48 6.807 5.177 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA B 48 7.249 5.060 0.793 1.00 0.00 H new ATOM 846 N LYS B 49 8.054 7.432 2.275 1.00 0.00 N ATOM 847 CA LYS B 49 8.032 8.078 3.585 1.00 0.00 C ATOM 848 C LYS B 49 8.246 9.578 3.450 1.00 0.00 C ATOM 849 O LYS B 49 7.517 10.377 4.038 1.00 0.00 O ATOM 850 CB LYS B 49 9.132 7.518 4.493 1.00 0.00 C ATOM 851 CG LYS B 49 9.113 6.016 4.667 1.00 0.00 C ATOM 852 CD LYS B 49 10.278 5.559 5.533 1.00 0.00 C ATOM 853 CE LYS B 49 10.360 4.044 5.626 1.00 0.00 C ATOM 854 NZ LYS B 49 11.497 3.600 6.477 1.00 0.00 N ATOM 0 H LYS B 49 8.768 6.710 2.177 1.00 0.00 H new ATOM 0 HA LYS B 49 7.055 7.878 4.025 1.00 0.00 H new ATOM 0 HB2 LYS B 49 10.101 7.810 4.087 1.00 0.00 H new ATOM 0 HB3 LYS B 49 9.044 7.984 5.475 1.00 0.00 H new ATOM 0 HG2 LYS B 49 8.172 5.710 5.124 1.00 0.00 H new ATOM 0 HG3 LYS B 49 9.166 5.531 3.692 1.00 0.00 H new ATOM 0 HD2 LYS B 49 11.210 5.948 5.122 1.00 0.00 H new ATOM 0 HD3 LYS B 49 10.172 5.978 6.534 1.00 0.00 H new ATOM 0 HE2 LYS B 49 9.427 3.655 6.034 1.00 0.00 H new ATOM 0 HE3 LYS B 49 10.470 3.625 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 11.518 2.561 6.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 12.390 3.950 6.074 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 11.380 3.979 7.438 1.00 0.00 H new ATOM 868 N LYS B 50 9.248 9.949 2.665 1.00 0.00 N ATOM 869 CA LYS B 50 9.637 11.345 2.520 1.00 0.00 C ATOM 870 C LYS B 50 8.610 12.085 1.674 1.00 0.00 C ATOM 871 O LYS B 50 8.301 13.248 1.921 1.00 0.00 O ATOM 872 CB LYS B 50 11.025 11.429 1.882 1.00 0.00 C ATOM 873 CG LYS B 50 11.666 12.804 1.976 1.00 0.00 C ATOM 874 CD LYS B 50 13.031 12.832 1.304 1.00 0.00 C ATOM 875 CE LYS B 50 14.008 11.863 1.957 1.00 0.00 C ATOM 876 NZ LYS B 50 15.300 11.802 1.222 1.00 0.00 N ATOM 0 H LYS B 50 9.809 9.298 2.116 1.00 0.00 H new ATOM 0 HA LYS B 50 9.676 11.815 3.503 1.00 0.00 H new ATOM 0 HB2 LYS B 50 11.679 10.701 2.362 1.00 0.00 H new ATOM 0 HB3 LYS B 50 10.949 11.146 0.832 1.00 0.00 H new ATOM 0 HG2 LYS B 50 11.015 13.543 1.509 1.00 0.00 H new ATOM 0 HG3 LYS B 50 11.769 13.087 3.023 1.00 0.00 H new ATOM 0 HD2 LYS B 50 12.921 12.580 0.249 1.00 0.00 H new ATOM 0 HD3 LYS B 50 13.437 13.842 1.350 1.00 0.00 H new ATOM 0 HE2 LYS B 50 14.190 12.169 2.987 1.00 0.00 H new ATOM 0 HE3 LYS B 50 13.564 10.868 1.994 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 15.938 11.132 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 15.130 11.485 0.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 15.737 12.746 1.208 1.00 0.00 H new ATOM 890 N LEU B 51 8.078 11.381 0.687 1.00 0.00 N ATOM 891 CA LEU B 51 7.024 11.891 -0.163 1.00 0.00 C ATOM 892 C LEU B 51 5.793 12.247 0.661 1.00 0.00 C ATOM 893 O LEU B 51 5.315 13.380 0.632 1.00 0.00 O ATOM 894 CB LEU B 51 6.659 10.821 -1.184 1.00 0.00 C ATOM 895 CG LEU B 51 7.226 10.997 -2.586 1.00 0.00 C ATOM 896 CD1 LEU B 51 8.750 11.029 -2.573 1.00 0.00 C ATOM 897 CD2 LEU B 51 6.727 9.881 -3.481 1.00 0.00 C ATOM 0 H LEU B 51 8.371 10.432 0.455 1.00 0.00 H new ATOM 0 HA LEU B 51 7.374 12.792 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU B 51 6.991 9.856 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.572 10.777 -1.259 1.00 0.00 H new ATOM 0 HG LEU B 51 6.883 11.955 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU B 51 9.120 11.156 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU B 51 9.091 11.861 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU B 51 9.130 10.093 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU B 51 7.134 10.009 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU B 51 7.049 8.920 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU B 51 5.638 9.909 -3.525 1.00 0.00 H new ATOM 909 N ASN B 52 5.287 11.258 1.393 1.00 0.00 N ATOM 910 CA ASN B 52 4.132 11.444 2.261 1.00 0.00 C ATOM 911 C ASN B 52 4.390 12.532 3.294 1.00 0.00 C ATOM 912 O ASN B 52 3.511 13.333 3.597 1.00 0.00 O ATOM 913 CB ASN B 52 3.810 10.128 2.964 1.00 0.00 C ATOM 914 CG ASN B 52 2.619 10.232 3.890 1.00 0.00 C ATOM 915 OD1 ASN B 52 1.483 10.088 3.458 1.00 0.00 O ATOM 916 ND2 ASN B 52 2.873 10.460 5.170 1.00 0.00 N ATOM 0 H ASN B 52 5.665 10.311 1.400 1.00 0.00 H new ATOM 0 HA ASN B 52 3.285 11.754 1.649 1.00 0.00 H new ATOM 0 HB2 ASN B 52 3.616 9.360 2.215 1.00 0.00 H new ATOM 0 HB3 ASN B 52 4.680 9.804 3.535 1.00 0.00 H new ATOM 0 HD21 ASN B 52 2.106 10.522 5.839 1.00 0.00 H new ATOM 0 HD22 ASN B 52 3.836 10.574 5.486 1.00 0.00 H new ATOM 923 N ASP B 53 5.605 12.555 3.822 1.00 0.00 N ATOM 924 CA ASP B 53 5.985 13.520 4.848 1.00 0.00 C ATOM 925 C ASP B 53 5.997 14.937 4.285 1.00 0.00 C ATOM 926 O ASP B 53 5.593 15.888 4.956 1.00 0.00 O ATOM 927 CB ASP B 53 7.358 13.161 5.414 1.00 0.00 C ATOM 928 CG ASP B 53 7.762 14.033 6.583 1.00 0.00 C ATOM 929 OD1 ASP B 53 7.021 14.069 7.587 1.00 0.00 O ATOM 930 OD2 ASP B 53 8.841 14.654 6.521 1.00 0.00 O ATOM 0 H ASP B 53 6.351 11.912 3.556 1.00 0.00 H new ATOM 0 HA ASP B 53 5.247 13.482 5.650 1.00 0.00 H new ATOM 0 HB2 ASP B 53 7.353 12.118 5.731 1.00 0.00 H new ATOM 0 HB3 ASP B 53 8.105 13.251 4.625 1.00 0.00 H new ATOM 935 N ALA B 54 6.447 15.068 3.044 1.00 0.00 N ATOM 936 CA ALA B 54 6.481 16.360 2.374 1.00 0.00 C ATOM 937 C ALA B 54 5.072 16.829 2.028 1.00 0.00 C ATOM 938 O ALA B 54 4.757 18.013 2.129 1.00 0.00 O ATOM 939 CB ALA B 54 7.335 16.282 1.118 1.00 0.00 C ATOM 0 H ALA B 54 6.794 14.292 2.480 1.00 0.00 H new ATOM 0 HA ALA B 54 6.925 17.086 3.055 1.00 0.00 H new ATOM 0 HB1 ALA B 54 7.351 17.255 0.628 1.00 0.00 H new ATOM 0 HB2 ALA B 54 8.351 15.994 1.386 1.00 0.00 H new ATOM 0 HB3 ALA B 54 6.915 15.540 0.438 1.00 0.00 H new ATOM 945 N GLN B 55 4.222 15.890 1.638 1.00 0.00 N ATOM 946 CA GLN B 55 2.848 16.210 1.266 1.00 0.00 C ATOM 947 C GLN B 55 1.902 16.038 2.451 1.00 0.00 C ATOM 948 O GLN B 55 0.700 15.834 2.278 1.00 0.00 O ATOM 949 CB GLN B 55 2.394 15.336 0.096 1.00 0.00 C ATOM 950 CG GLN B 55 3.203 15.561 -1.171 1.00 0.00 C ATOM 951 CD GLN B 55 2.725 14.717 -2.337 1.00 0.00 C ATOM 952 OE1 GLN B 55 1.545 14.385 -2.444 1.00 0.00 O ATOM 953 NE2 GLN B 55 3.640 14.374 -3.227 1.00 0.00 N ATOM 0 H GLN B 55 4.458 14.900 1.570 1.00 0.00 H new ATOM 0 HA GLN B 55 2.819 17.255 0.958 1.00 0.00 H new ATOM 0 HB2 GLN B 55 2.468 14.287 0.385 1.00 0.00 H new ATOM 0 HB3 GLN B 55 1.343 15.536 -0.112 1.00 0.00 H new ATOM 0 HG2 GLN B 55 3.151 16.614 -1.447 1.00 0.00 H new ATOM 0 HG3 GLN B 55 4.251 15.335 -0.972 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.608 14.669 -3.103 1.00 0.00 H new ATOM 0 HE22 GLN B 55 3.378 13.814 -4.038 1.00 0.00 H new ATOM 962 N ALA B 56 2.450 16.109 3.656 1.00 0.00 N ATOM 963 CA ALA B 56 1.658 16.034 4.862 1.00 0.00 C ATOM 964 C ALA B 56 1.177 17.422 5.259 1.00 0.00 C ATOM 965 O ALA B 56 1.970 18.176 5.861 1.00 0.00 O ATOM 966 CB ALA B 56 2.489 15.417 5.964 1.00 0.00 C ATOM 0 H ALA B 56 3.451 16.220 3.818 1.00 0.00 H new ATOM 0 HA ALA B 56 0.781 15.410 4.688 1.00 0.00 H new ATOM 0 HB1 ALA B 56 1.896 15.358 6.877 1.00 0.00 H new ATOM 0 HB2 ALA B 56 2.800 14.415 5.668 1.00 0.00 H new ATOM 0 HB3 ALA B 56 3.371 16.033 6.143 1.00 0.00 H new TER 972 ALA B 56 ATOM 973 N GLY C 13 -13.912 1.061 10.005 1.00 0.00 N ATOM 974 CA GLY C 13 -13.250 2.377 10.159 1.00 0.00 C ATOM 975 C GLY C 13 -12.078 2.320 11.114 1.00 0.00 C ATOM 976 O GLY C 13 -12.136 2.873 12.214 1.00 0.00 O ATOM 0 HA2 GLY C 13 -12.906 2.725 9.185 1.00 0.00 H new ATOM 0 HA3 GLY C 13 -13.975 3.106 10.520 1.00 0.00 H new ATOM 980 N GLY C 14 -11.013 1.650 10.700 1.00 0.00 N ATOM 981 CA GLY C 14 -9.845 1.517 11.550 1.00 0.00 C ATOM 982 C GLY C 14 -9.224 0.144 11.457 1.00 0.00 C ATOM 983 O GLY C 14 -8.246 -0.156 12.142 1.00 0.00 O ATOM 0 H GLY C 14 -10.935 1.195 9.790 1.00 0.00 H new ATOM 0 HA2 GLY C 14 -9.106 2.268 11.269 1.00 0.00 H new ATOM 0 HA3 GLY C 14 -10.126 1.717 12.584 1.00 0.00 H new ATOM 987 N GLU C 15 -9.794 -0.700 10.614 1.00 0.00 N ATOM 988 CA GLU C 15 -9.240 -2.015 10.372 1.00 0.00 C ATOM 989 C GLU C 15 -8.110 -1.931 9.371 1.00 0.00 C ATOM 990 O GLU C 15 -8.032 -0.994 8.571 1.00 0.00 O ATOM 991 CB GLU C 15 -10.296 -2.996 9.859 1.00 0.00 C ATOM 992 CG GLU C 15 -11.046 -2.539 8.622 1.00 0.00 C ATOM 993 CD GLU C 15 -12.138 -1.525 8.908 1.00 0.00 C ATOM 994 OE1 GLU C 15 -11.837 -0.317 8.989 1.00 0.00 O ATOM 995 OE2 GLU C 15 -13.309 -1.929 9.046 1.00 0.00 O ATOM 0 H GLU C 15 -10.642 -0.494 10.086 1.00 0.00 H new ATOM 0 HA GLU C 15 -8.866 -2.386 11.326 1.00 0.00 H new ATOM 0 HB2 GLU C 15 -9.811 -3.948 9.641 1.00 0.00 H new ATOM 0 HB3 GLU C 15 -11.017 -3.180 10.656 1.00 0.00 H new ATOM 0 HG2 GLU C 15 -10.336 -2.106 7.917 1.00 0.00 H new ATOM 0 HG3 GLU C 15 -11.488 -3.408 8.135 1.00 0.00 H new ATOM 1002 N ILE C 16 -7.246 -2.919 9.419 1.00 0.00 N ATOM 1003 CA ILE C 16 -6.120 -2.985 8.510 1.00 0.00 C ATOM 1004 C ILE C 16 -6.449 -3.936 7.371 1.00 0.00 C ATOM 1005 O ILE C 16 -6.901 -5.055 7.603 1.00 0.00 O ATOM 1006 CB ILE C 16 -4.826 -3.450 9.210 1.00 0.00 C ATOM 1007 CG1 ILE C 16 -4.619 -2.674 10.512 1.00 0.00 C ATOM 1008 CG2 ILE C 16 -3.637 -3.258 8.282 1.00 0.00 C ATOM 1009 CD1 ILE C 16 -3.240 -2.841 11.113 1.00 0.00 C ATOM 0 H ILE C 16 -7.300 -3.693 10.081 1.00 0.00 H new ATOM 0 HA ILE C 16 -5.943 -1.978 8.131 1.00 0.00 H new ATOM 0 HB ILE C 16 -4.915 -4.509 9.451 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -4.797 -1.615 10.325 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -5.363 -2.999 11.239 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -2.727 -3.588 8.783 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -3.785 -3.844 7.375 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -3.545 -2.204 8.022 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -3.171 -2.261 12.033 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -3.064 -3.894 11.334 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -2.490 -2.489 10.405 1.00 0.00 H new ATOM 1021 N VAL C 17 -6.222 -3.492 6.149 1.00 0.00 N ATOM 1022 CA VAL C 17 -6.613 -4.247 4.974 1.00 0.00 C ATOM 1023 C VAL C 17 -5.377 -4.501 4.106 1.00 0.00 C ATOM 1024 O VAL C 17 -5.048 -3.710 3.230 1.00 0.00 O ATOM 1025 CB VAL C 17 -7.694 -3.456 4.189 1.00 0.00 C ATOM 1026 CG1 VAL C 17 -8.210 -4.208 2.979 1.00 0.00 C ATOM 1027 CG2 VAL C 17 -8.852 -3.101 5.095 1.00 0.00 C ATOM 0 H VAL C 17 -5.764 -2.604 5.944 1.00 0.00 H new ATOM 0 HA VAL C 17 -7.036 -5.208 5.266 1.00 0.00 H new ATOM 0 HB VAL C 17 -7.211 -2.548 3.829 1.00 0.00 H new ATOM 0 HG11 VAL C 17 -8.963 -3.606 2.470 1.00 0.00 H new ATOM 0 HG12 VAL C 17 -7.384 -4.409 2.296 1.00 0.00 H new ATOM 0 HG13 VAL C 17 -8.655 -5.150 3.299 1.00 0.00 H new ATOM 0 HG21 VAL C 17 -9.600 -2.547 4.529 1.00 0.00 H new ATOM 0 HG22 VAL C 17 -9.298 -4.014 5.490 1.00 0.00 H new ATOM 0 HG23 VAL C 17 -8.493 -2.486 5.920 1.00 0.00 H new ATOM 1037 N TYR C 18 -4.681 -5.603 4.374 1.00 0.00 N ATOM 1038 CA TYR C 18 -3.419 -5.905 3.694 1.00 0.00 C ATOM 1039 C TYR C 18 -3.648 -6.628 2.375 1.00 0.00 C ATOM 1040 O TYR C 18 -4.324 -7.652 2.331 1.00 0.00 O ATOM 1041 CB TYR C 18 -2.522 -6.764 4.588 1.00 0.00 C ATOM 1042 CG TYR C 18 -1.405 -6.000 5.257 1.00 0.00 C ATOM 1043 CD1 TYR C 18 -0.123 -6.003 4.724 1.00 0.00 C ATOM 1044 CD2 TYR C 18 -1.628 -5.282 6.422 1.00 0.00 C ATOM 1045 CE1 TYR C 18 0.904 -5.312 5.334 1.00 0.00 C ATOM 1046 CE2 TYR C 18 -0.605 -4.585 7.037 1.00 0.00 C ATOM 1047 CZ TYR C 18 0.659 -4.604 6.489 1.00 0.00 C ATOM 1048 OH TYR C 18 1.681 -3.917 7.101 1.00 0.00 O ATOM 0 H TYR C 18 -4.968 -6.304 5.057 1.00 0.00 H new ATOM 0 HA TYR C 18 -2.931 -4.953 3.486 1.00 0.00 H new ATOM 0 HB2 TYR C 18 -3.136 -7.235 5.356 1.00 0.00 H new ATOM 0 HB3 TYR C 18 -2.091 -7.566 3.989 1.00 0.00 H new ATOM 0 HD1 TYR C 18 0.074 -6.555 3.817 1.00 0.00 H new ATOM 0 HD2 TYR C 18 -2.617 -5.267 6.856 1.00 0.00 H new ATOM 0 HE1 TYR C 18 1.896 -5.327 4.907 1.00 0.00 H new ATOM 0 HE2 TYR C 18 -0.796 -4.028 7.943 1.00 0.00 H new ATOM 0 HH TYR C 18 1.340 -3.470 7.904 1.00 0.00 H new ATOM 1058 N LEU C 19 -3.081 -6.093 1.296 1.00 0.00 N ATOM 1059 CA LEU C 19 -3.186 -6.734 -0.007 1.00 0.00 C ATOM 1060 C LEU C 19 -1.852 -6.739 -0.753 1.00 0.00 C ATOM 1061 O LEU C 19 -1.742 -6.168 -1.836 1.00 0.00 O ATOM 1062 CB LEU C 19 -4.253 -6.048 -0.865 1.00 0.00 C ATOM 1063 CG LEU C 19 -5.686 -6.257 -0.407 1.00 0.00 C ATOM 1064 CD1 LEU C 19 -6.080 -5.268 0.662 1.00 0.00 C ATOM 1065 CD2 LEU C 19 -6.611 -6.138 -1.574 1.00 0.00 C ATOM 0 H LEU C 19 -2.548 -5.223 1.300 1.00 0.00 H new ATOM 0 HA LEU C 19 -3.476 -7.769 0.172 1.00 0.00 H new ATOM 0 HB2 LEU C 19 -4.047 -4.978 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU C 19 -4.160 -6.409 -1.889 1.00 0.00 H new ATOM 0 HG LEU C 19 -5.758 -7.257 0.022 1.00 0.00 H new ATOM 0 HD11 LEU C 19 -7.112 -5.450 0.963 1.00 0.00 H new ATOM 0 HD12 LEU C 19 -5.424 -5.384 1.525 1.00 0.00 H new ATOM 0 HD13 LEU C 19 -5.989 -4.254 0.271 1.00 0.00 H new ATOM 0 HD21 LEU C 19 -7.638 -6.289 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU C 19 -6.514 -5.146 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU C 19 -6.357 -6.892 -2.318 1.00 0.00 H new ATOM 1077 N PRO C 20 -0.826 -7.415 -0.209 1.00 0.00 N ATOM 1078 CA PRO C 20 0.474 -7.518 -0.870 1.00 0.00 C ATOM 1079 C PRO C 20 0.487 -8.625 -1.921 1.00 0.00 C ATOM 1080 O PRO C 20 1.504 -8.883 -2.562 1.00 0.00 O ATOM 1081 CB PRO C 20 1.416 -7.853 0.282 1.00 0.00 C ATOM 1082 CG PRO C 20 0.579 -8.630 1.241 1.00 0.00 C ATOM 1083 CD PRO C 20 -0.837 -8.123 1.088 1.00 0.00 C ATOM 0 HA PRO C 20 0.747 -6.611 -1.409 1.00 0.00 H new ATOM 0 HB2 PRO C 20 2.270 -8.437 -0.062 1.00 0.00 H new ATOM 0 HB3 PRO C 20 1.813 -6.949 0.745 1.00 0.00 H new ATOM 0 HG2 PRO C 20 0.634 -9.697 1.026 1.00 0.00 H new ATOM 0 HG3 PRO C 20 0.932 -8.492 2.263 1.00 0.00 H new ATOM 0 HD2 PRO C 20 -1.556 -8.942 1.089 1.00 0.00 H new ATOM 0 HD3 PRO C 20 -1.112 -7.456 1.905 1.00 0.00 H new ATOM 1091 N ASN C 21 -0.660 -9.272 -2.083 1.00 0.00 N ATOM 1092 CA ASN C 21 -0.807 -10.355 -3.047 1.00 0.00 C ATOM 1093 C ASN C 21 -1.310 -9.795 -4.372 1.00 0.00 C ATOM 1094 O ASN C 21 -1.334 -10.482 -5.394 1.00 0.00 O ATOM 1095 CB ASN C 21 -1.783 -11.406 -2.513 1.00 0.00 C ATOM 1096 CG ASN C 21 -1.540 -12.791 -3.084 1.00 0.00 C ATOM 1097 OD1 ASN C 21 -1.897 -13.809 -2.320 1.00 0.00 O flip ATOM 1098 ND2 ASN C 21 -1.038 -12.947 -4.194 1.00 0.00 N flip ATOM 0 H ASN C 21 -1.508 -9.064 -1.555 1.00 0.00 H new ATOM 0 HA ASN C 21 0.162 -10.829 -3.204 1.00 0.00 H new ATOM 0 HB2 ASN C 21 -1.703 -11.448 -1.427 1.00 0.00 H new ATOM 0 HB3 ASN C 21 -2.802 -11.098 -2.746 1.00 0.00 H new ATOM 0 HD21 ASN C 21 -0.776 -12.136 -4.754 1.00 0.00 H new ATOM 0 HD22 ASN C 21 -0.883 -13.888 -4.556 1.00 0.00 H new ATOM 1105 N LEU C 22 -1.737 -8.541 -4.339 1.00 0.00 N ATOM 1106 CA LEU C 22 -2.127 -7.838 -5.547 1.00 0.00 C ATOM 1107 C LEU C 22 -0.909 -7.536 -6.401 1.00 0.00 C ATOM 1108 O LEU C 22 0.181 -7.281 -5.889 1.00 0.00 O ATOM 1109 CB LEU C 22 -2.853 -6.538 -5.210 1.00 0.00 C ATOM 1110 CG LEU C 22 -4.263 -6.686 -4.642 1.00 0.00 C ATOM 1111 CD1 LEU C 22 -4.863 -5.316 -4.382 1.00 0.00 C ATOM 1112 CD2 LEU C 22 -5.144 -7.473 -5.589 1.00 0.00 C ATOM 0 H LEU C 22 -1.821 -7.990 -3.485 1.00 0.00 H new ATOM 0 HA LEU C 22 -2.805 -8.483 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU C 22 -2.249 -5.984 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU C 22 -2.909 -5.931 -6.114 1.00 0.00 H new ATOM 0 HG LEU C 22 -4.202 -7.232 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU C 22 -5.869 -5.430 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU C 22 -4.243 -4.777 -3.666 1.00 0.00 H new ATOM 0 HD13 LEU C 22 -4.909 -4.756 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU C 22 -6.143 -7.566 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU C 22 -5.204 -6.955 -6.546 1.00 0.00 H new ATOM 0 HD23 LEU C 22 -4.720 -8.466 -5.740 1.00 0.00 H new ATOM 1124 N ASN C 23 -1.095 -7.583 -7.705 1.00 0.00 N ATOM 1125 CA ASN C 23 -0.023 -7.274 -8.637 1.00 0.00 C ATOM 1126 C ASN C 23 -0.010 -5.776 -8.878 1.00 0.00 C ATOM 1127 O ASN C 23 -1.076 -5.176 -8.993 1.00 0.00 O ATOM 1128 CB ASN C 23 -0.218 -8.020 -9.961 1.00 0.00 C ATOM 1129 CG ASN C 23 -1.044 -9.278 -9.795 1.00 0.00 C ATOM 1130 OD1 ASN C 23 -2.345 -9.155 -10.016 1.00 0.00 O flip ATOM 1131 ND2 ASN C 23 -0.524 -10.347 -9.479 1.00 0.00 N flip ATOM 0 H ASN C 23 -1.980 -7.833 -8.147 1.00 0.00 H new ATOM 0 HA ASN C 23 0.929 -7.594 -8.213 1.00 0.00 H new ATOM 0 HB2 ASN C 23 -0.705 -7.360 -10.679 1.00 0.00 H new ATOM 0 HB3 ASN C 23 0.756 -8.279 -10.376 1.00 0.00 H new ATOM 0 HD21 ASN C 23 0.482 -10.397 -9.318 1.00 0.00 H new ATOM 0 HD22 ASN C 23 -1.099 -11.184 -9.378 1.00 0.00 H new ATOM 1138 N PRO C 24 1.181 -5.154 -8.924 1.00 0.00 N ATOM 1139 CA PRO C 24 1.324 -3.700 -9.085 1.00 0.00 C ATOM 1140 C PRO C 24 0.350 -3.100 -10.098 1.00 0.00 C ATOM 1141 O PRO C 24 -0.424 -2.207 -9.762 1.00 0.00 O ATOM 1142 CB PRO C 24 2.760 -3.559 -9.574 1.00 0.00 C ATOM 1143 CG PRO C 24 3.483 -4.686 -8.924 1.00 0.00 C ATOM 1144 CD PRO C 24 2.493 -5.818 -8.809 1.00 0.00 C ATOM 0 HA PRO C 24 1.104 -3.167 -8.160 1.00 0.00 H new ATOM 0 HB2 PRO C 24 2.818 -3.623 -10.661 1.00 0.00 H new ATOM 0 HB3 PRO C 24 3.185 -2.597 -9.288 1.00 0.00 H new ATOM 0 HG2 PRO C 24 4.348 -4.985 -9.516 1.00 0.00 H new ATOM 0 HG3 PRO C 24 3.855 -4.394 -7.942 1.00 0.00 H new ATOM 0 HD2 PRO C 24 2.637 -6.557 -9.597 1.00 0.00 H new ATOM 0 HD3 PRO C 24 2.594 -6.342 -7.859 1.00 0.00 H new ATOM 1152 N ASP C 25 0.364 -3.625 -11.317 1.00 0.00 N ATOM 1153 CA ASP C 25 -0.463 -3.086 -12.396 1.00 0.00 C ATOM 1154 C ASP C 25 -1.949 -3.380 -12.173 1.00 0.00 C ATOM 1155 O ASP C 25 -2.813 -2.729 -12.753 1.00 0.00 O ATOM 1156 CB ASP C 25 -0.010 -3.660 -13.740 1.00 0.00 C ATOM 1157 CG ASP C 25 -0.807 -3.116 -14.910 1.00 0.00 C ATOM 1158 OD1 ASP C 25 -0.588 -1.948 -15.292 1.00 0.00 O ATOM 1159 OD2 ASP C 25 -1.644 -3.860 -15.464 1.00 0.00 O ATOM 0 H ASP C 25 0.938 -4.424 -11.586 1.00 0.00 H new ATOM 0 HA ASP C 25 -0.337 -2.003 -12.402 1.00 0.00 H new ATOM 0 HB2 ASP C 25 1.046 -3.434 -13.889 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -0.103 -4.746 -13.716 1.00 0.00 H new ATOM 1164 N GLN C 26 -2.239 -4.341 -11.311 1.00 0.00 N ATOM 1165 CA GLN C 26 -3.599 -4.771 -11.055 1.00 0.00 C ATOM 1166 C GLN C 26 -4.213 -3.951 -9.916 1.00 0.00 C ATOM 1167 O GLN C 26 -5.366 -3.531 -9.991 1.00 0.00 O ATOM 1168 CB GLN C 26 -3.566 -6.278 -10.759 1.00 0.00 C ATOM 1169 CG GLN C 26 -4.604 -6.794 -9.781 1.00 0.00 C ATOM 1170 CD GLN C 26 -6.025 -6.756 -10.314 1.00 0.00 C ATOM 1171 OE1 GLN C 26 -6.425 -7.812 -11.003 1.00 0.00 O flip ATOM 1172 NE2 GLN C 26 -6.758 -5.792 -10.111 1.00 0.00 N flip ATOM 0 H GLN C 26 -1.536 -4.844 -10.770 1.00 0.00 H new ATOM 0 HA GLN C 26 -4.237 -4.601 -11.922 1.00 0.00 H new ATOM 0 HB2 GLN C 26 -3.687 -6.814 -11.700 1.00 0.00 H new ATOM 0 HB3 GLN C 26 -2.578 -6.529 -10.373 1.00 0.00 H new ATOM 0 HG2 GLN C 26 -4.355 -7.820 -9.510 1.00 0.00 H new ATOM 0 HG3 GLN C 26 -4.553 -6.202 -8.867 1.00 0.00 H new ATOM 0 HE21 GLN C 26 -6.415 -4.995 -9.575 1.00 0.00 H new ATOM 0 HE22 GLN C 26 -7.710 -5.789 -10.478 1.00 0.00 H new ATOM 1181 N LEU C 27 -3.426 -3.683 -8.882 1.00 0.00 N ATOM 1182 CA LEU C 27 -3.906 -2.897 -7.748 1.00 0.00 C ATOM 1183 C LEU C 27 -4.064 -1.420 -8.114 1.00 0.00 C ATOM 1184 O LEU C 27 -4.696 -0.663 -7.377 1.00 0.00 O ATOM 1185 CB LEU C 27 -3.016 -3.085 -6.510 1.00 0.00 C ATOM 1186 CG LEU C 27 -1.507 -2.955 -6.719 1.00 0.00 C ATOM 1187 CD1 LEU C 27 -1.085 -1.496 -6.735 1.00 0.00 C ATOM 1188 CD2 LEU C 27 -0.763 -3.733 -5.639 1.00 0.00 C ATOM 0 H LEU C 27 -2.458 -3.995 -8.803 1.00 0.00 H new ATOM 0 HA LEU C 27 -4.896 -3.272 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU C 27 -3.319 -2.355 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU C 27 -3.217 -4.072 -6.094 1.00 0.00 H new ATOM 0 HG LEU C 27 -1.250 -3.380 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU C 27 -0.007 -1.431 -6.885 1.00 0.00 H new ATOM 0 HD12 LEU C 27 -1.596 -0.978 -7.546 1.00 0.00 H new ATOM 0 HD13 LEU C 27 -1.348 -1.031 -5.785 1.00 0.00 H new ATOM 0 HD21 LEU C 27 0.311 -3.635 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU C 27 -1.025 -3.335 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU C 27 -1.043 -4.785 -5.690 1.00 0.00 H new ATOM 1200 N CYS C 28 -3.461 -1.012 -9.234 1.00 0.00 N ATOM 1201 CA CYS C 28 -3.639 0.343 -9.766 1.00 0.00 C ATOM 1202 C CYS C 28 -5.115 0.743 -9.767 1.00 0.00 C ATOM 1203 O CYS C 28 -5.481 1.809 -9.263 1.00 0.00 O ATOM 1204 CB CYS C 28 -3.097 0.437 -11.197 1.00 0.00 C ATOM 1205 SG CYS C 28 -1.312 0.122 -11.358 1.00 0.00 S ATOM 0 H CYS C 28 -2.844 -1.602 -9.792 1.00 0.00 H new ATOM 0 HA CYS C 28 -3.084 1.023 -9.120 1.00 0.00 H new ATOM 0 HB2 CYS C 28 -3.635 -0.275 -11.822 1.00 0.00 H new ATOM 0 HB3 CYS C 28 -3.313 1.431 -11.588 1.00 0.00 H new ATOM 1210 N ALA C 29 -5.958 -0.128 -10.320 1.00 0.00 N ATOM 1211 CA ALA C 29 -7.391 0.129 -10.398 1.00 0.00 C ATOM 1212 C ALA C 29 -8.007 0.236 -9.009 1.00 0.00 C ATOM 1213 O ALA C 29 -8.873 1.075 -8.772 1.00 0.00 O ATOM 1214 CB ALA C 29 -8.083 -0.965 -11.197 1.00 0.00 C ATOM 0 H ALA C 29 -5.670 -1.020 -10.721 1.00 0.00 H new ATOM 0 HA ALA C 29 -7.534 1.082 -10.907 1.00 0.00 H new ATOM 0 HB1 ALA C 29 -9.152 -0.759 -11.246 1.00 0.00 H new ATOM 0 HB2 ALA C 29 -7.672 -0.994 -12.206 1.00 0.00 H new ATOM 0 HB3 ALA C 29 -7.921 -1.928 -10.712 1.00 0.00 H new ATOM 1220 N PHE C 30 -7.543 -0.602 -8.091 1.00 0.00 N ATOM 1221 CA PHE C 30 -8.049 -0.612 -6.727 1.00 0.00 C ATOM 1222 C PHE C 30 -7.781 0.726 -6.039 1.00 0.00 C ATOM 1223 O PHE C 30 -8.692 1.334 -5.476 1.00 0.00 O ATOM 1224 CB PHE C 30 -7.421 -1.782 -5.959 1.00 0.00 C ATOM 1225 CG PHE C 30 -7.151 -1.511 -4.508 1.00 0.00 C ATOM 1226 CD1 PHE C 30 -8.182 -1.447 -3.586 1.00 0.00 C ATOM 1227 CD2 PHE C 30 -5.852 -1.330 -4.071 1.00 0.00 C ATOM 1228 CE1 PHE C 30 -7.919 -1.204 -2.253 1.00 0.00 C ATOM 1229 CE2 PHE C 30 -5.581 -1.084 -2.741 1.00 0.00 C ATOM 1230 CZ PHE C 30 -6.616 -1.022 -1.829 1.00 0.00 C ATOM 0 H PHE C 30 -6.811 -1.289 -8.270 1.00 0.00 H new ATOM 0 HA PHE C 30 -9.130 -0.751 -6.742 1.00 0.00 H new ATOM 0 HB2 PHE C 30 -8.082 -2.645 -6.036 1.00 0.00 H new ATOM 0 HB3 PHE C 30 -6.483 -2.055 -6.444 1.00 0.00 H new ATOM 0 HD1 PHE C 30 -9.202 -1.589 -3.913 1.00 0.00 H new ATOM 0 HD2 PHE C 30 -5.039 -1.382 -4.780 1.00 0.00 H new ATOM 0 HE1 PHE C 30 -8.730 -1.156 -1.542 1.00 0.00 H new ATOM 0 HE2 PHE C 30 -4.562 -0.940 -2.414 1.00 0.00 H new ATOM 0 HZ PHE C 30 -6.408 -0.832 -0.786 1.00 0.00 H new ATOM 1240 N ILE C 31 -6.537 1.188 -6.107 1.00 0.00 N ATOM 1241 CA ILE C 31 -6.165 2.467 -5.514 1.00 0.00 C ATOM 1242 C ILE C 31 -6.946 3.603 -6.171 1.00 0.00 C ATOM 1243 O ILE C 31 -7.476 4.489 -5.496 1.00 0.00 O ATOM 1244 CB ILE C 31 -4.653 2.741 -5.657 1.00 0.00 C ATOM 1245 CG1 ILE C 31 -3.840 1.702 -4.879 1.00 0.00 C ATOM 1246 CG2 ILE C 31 -4.321 4.143 -5.178 1.00 0.00 C ATOM 1247 CD1 ILE C 31 -2.341 1.905 -4.977 1.00 0.00 C ATOM 0 H ILE C 31 -5.770 0.696 -6.566 1.00 0.00 H new ATOM 0 HA ILE C 31 -6.408 2.417 -4.453 1.00 0.00 H new ATOM 0 HB ILE C 31 -4.388 2.663 -6.711 1.00 0.00 H new ATOM 0 HG12 ILE C 31 -4.134 1.734 -3.830 1.00 0.00 H new ATOM 0 HG13 ILE C 31 -4.088 0.707 -5.249 1.00 0.00 H new ATOM 0 HG21 ILE C 31 -3.251 4.320 -5.285 1.00 0.00 H new ATOM 0 HG22 ILE C 31 -4.871 4.871 -5.774 1.00 0.00 H new ATOM 0 HG23 ILE C 31 -4.602 4.246 -4.130 1.00 0.00 H new ATOM 0 HD11 ILE C 31 -1.831 1.133 -4.402 1.00 0.00 H new ATOM 0 HD12 ILE C 31 -2.033 1.843 -6.021 1.00 0.00 H new ATOM 0 HD13 ILE C 31 -2.080 2.886 -4.579 1.00 0.00 H new ATOM 1259 N HIS C 32 -7.020 3.554 -7.495 1.00 0.00 N ATOM 1260 CA HIS C 32 -7.763 4.545 -8.267 1.00 0.00 C ATOM 1261 C HIS C 32 -9.232 4.581 -7.854 1.00 0.00 C ATOM 1262 O HIS C 32 -9.841 5.648 -7.798 1.00 0.00 O ATOM 1263 CB HIS C 32 -7.658 4.244 -9.762 1.00 0.00 C ATOM 1264 CG HIS C 32 -6.958 5.313 -10.539 1.00 0.00 C ATOM 1265 ND1 HIS C 32 -7.614 6.194 -11.370 1.00 0.00 N ATOM 1266 CD2 HIS C 32 -5.648 5.640 -10.608 1.00 0.00 C ATOM 1267 CE1 HIS C 32 -6.739 7.016 -11.917 1.00 0.00 C ATOM 1268 NE2 HIS C 32 -5.538 6.702 -11.469 1.00 0.00 N ATOM 0 H HIS C 32 -6.572 2.834 -8.061 1.00 0.00 H new ATOM 0 HA HIS C 32 -7.323 5.521 -8.063 1.00 0.00 H new ATOM 0 HB2 HIS C 32 -7.128 3.301 -9.898 1.00 0.00 H new ATOM 0 HB3 HIS C 32 -8.660 4.108 -10.168 1.00 0.00 H new ATOM 0 HD2 HIS C 32 -4.838 5.155 -10.083 1.00 0.00 H new ATOM 0 HE1 HIS C 32 -6.967 7.810 -12.613 1.00 0.00 H new ATOM 0 HE2 HIS C 32 -4.669 7.173 -11.722 1.00 0.00 H new ATOM 1277 N SER C 33 -9.790 3.415 -7.550 1.00 0.00 N ATOM 1278 CA SER C 33 -11.191 3.314 -7.163 1.00 0.00 C ATOM 1279 C SER C 33 -11.458 4.054 -5.852 1.00 0.00 C ATOM 1280 O SER C 33 -12.511 4.671 -5.688 1.00 0.00 O ATOM 1281 CB SER C 33 -11.607 1.846 -7.039 1.00 0.00 C ATOM 1282 OG SER C 33 -11.416 1.158 -8.265 1.00 0.00 O ATOM 0 H SER C 33 -9.292 2.525 -7.564 1.00 0.00 H new ATOM 0 HA SER C 33 -11.789 3.785 -7.944 1.00 0.00 H new ATOM 0 HB2 SER C 33 -11.025 1.365 -6.253 1.00 0.00 H new ATOM 0 HB3 SER C 33 -12.654 1.785 -6.743 1.00 0.00 H new ATOM 0 HG SER C 33 -10.485 1.256 -8.553 1.00 0.00 H new ATOM 1288 N ILE C 34 -10.497 4.007 -4.931 1.00 0.00 N ATOM 1289 CA ILE C 34 -10.630 4.705 -3.655 1.00 0.00 C ATOM 1290 C ILE C 34 -10.641 6.211 -3.880 1.00 0.00 C ATOM 1291 O ILE C 34 -11.401 6.942 -3.255 1.00 0.00 O ATOM 1292 CB ILE C 34 -9.484 4.362 -2.676 1.00 0.00 C ATOM 1293 CG1 ILE C 34 -9.355 2.846 -2.497 1.00 0.00 C ATOM 1294 CG2 ILE C 34 -9.722 5.042 -1.330 1.00 0.00 C ATOM 1295 CD1 ILE C 34 -10.571 2.197 -1.876 1.00 0.00 C ATOM 0 H ILE C 34 -9.622 3.495 -5.044 1.00 0.00 H new ATOM 0 HA ILE C 34 -11.570 4.376 -3.213 1.00 0.00 H new ATOM 0 HB ILE C 34 -8.549 4.733 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -9.168 2.390 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -8.485 2.636 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -8.909 4.794 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -9.761 6.122 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -10.666 4.696 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -10.403 1.124 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -10.747 2.624 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -11.441 2.374 -2.509 1.00 0.00 H new ATOM 1307 N HIS C 35 -9.788 6.662 -4.785 1.00 0.00 N ATOM 1308 CA HIS C 35 -9.707 8.080 -5.117 1.00 0.00 C ATOM 1309 C HIS C 35 -10.974 8.535 -5.834 1.00 0.00 C ATOM 1310 O HIS C 35 -11.434 9.661 -5.656 1.00 0.00 O ATOM 1311 CB HIS C 35 -8.485 8.355 -5.998 1.00 0.00 C ATOM 1312 CG HIS C 35 -8.293 9.807 -6.323 1.00 0.00 C ATOM 1313 ND1 HIS C 35 -8.528 10.339 -7.572 1.00 0.00 N ATOM 1314 CD2 HIS C 35 -7.886 10.840 -5.548 1.00 0.00 C ATOM 1315 CE1 HIS C 35 -8.275 11.634 -7.551 1.00 0.00 C ATOM 1316 NE2 HIS C 35 -7.885 11.962 -6.336 1.00 0.00 N ATOM 0 H HIS C 35 -9.141 6.069 -5.304 1.00 0.00 H new ATOM 0 HA HIS C 35 -9.607 8.641 -4.188 1.00 0.00 H new ATOM 0 HB2 HIS C 35 -7.593 7.983 -5.494 1.00 0.00 H new ATOM 0 HB3 HIS C 35 -8.584 7.793 -6.927 1.00 0.00 H new ATOM 0 HD2 HIS C 35 -7.613 10.790 -4.504 1.00 0.00 H new ATOM 0 HE1 HIS C 35 -8.371 12.310 -8.388 1.00 0.00 H new ATOM 0 HE2 HIS C 35 -7.624 12.900 -6.031 1.00 0.00 H new ATOM 1325 N ASP C 36 -11.524 7.646 -6.642 1.00 0.00 N ATOM 1326 CA ASP C 36 -12.721 7.946 -7.420 1.00 0.00 C ATOM 1327 C ASP C 36 -13.974 7.915 -6.551 1.00 0.00 C ATOM 1328 O ASP C 36 -14.951 8.616 -6.819 1.00 0.00 O ATOM 1329 CB ASP C 36 -12.852 6.959 -8.580 1.00 0.00 C ATOM 1330 CG ASP C 36 -14.126 7.149 -9.373 1.00 0.00 C ATOM 1331 OD1 ASP C 36 -15.059 6.337 -9.207 1.00 0.00 O ATOM 1332 OD2 ASP C 36 -14.201 8.109 -10.169 1.00 0.00 O ATOM 0 H ASP C 36 -11.160 6.703 -6.779 1.00 0.00 H new ATOM 0 HA ASP C 36 -12.621 8.955 -7.819 1.00 0.00 H new ATOM 0 HB2 ASP C 36 -11.996 7.072 -9.245 1.00 0.00 H new ATOM 0 HB3 ASP C 36 -12.821 5.942 -8.190 1.00 0.00 H new ATOM 1337 N ASP C 37 -13.931 7.119 -5.499 1.00 0.00 N ATOM 1338 CA ASP C 37 -15.067 6.982 -4.600 1.00 0.00 C ATOM 1339 C ASP C 37 -14.612 6.506 -3.226 1.00 0.00 C ATOM 1340 O ASP C 37 -14.661 5.312 -2.919 1.00 0.00 O ATOM 1341 CB ASP C 37 -16.101 6.009 -5.163 1.00 0.00 C ATOM 1342 CG ASP C 37 -17.466 6.218 -4.541 1.00 0.00 C ATOM 1343 OD1 ASP C 37 -17.638 5.911 -3.345 1.00 0.00 O ATOM 1344 OD2 ASP C 37 -18.375 6.701 -5.251 1.00 0.00 O ATOM 0 H ASP C 37 -13.120 6.555 -5.244 1.00 0.00 H new ATOM 0 HA ASP C 37 -15.529 7.964 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP C 37 -16.170 6.137 -6.243 1.00 0.00 H new ATOM 0 HB3 ASP C 37 -15.773 4.985 -4.984 1.00 0.00 H new ATOM 1349 N PRO C 38 -14.148 7.437 -2.382 1.00 0.00 N ATOM 1350 CA PRO C 38 -13.736 7.135 -1.008 1.00 0.00 C ATOM 1351 C PRO C 38 -14.905 6.694 -0.129 1.00 0.00 C ATOM 1352 O PRO C 38 -14.718 6.325 1.030 1.00 0.00 O ATOM 1353 CB PRO C 38 -13.166 8.459 -0.498 1.00 0.00 C ATOM 1354 CG PRO C 38 -13.790 9.500 -1.365 1.00 0.00 C ATOM 1355 CD PRO C 38 -13.951 8.857 -2.713 1.00 0.00 C ATOM 0 HA PRO C 38 -13.026 6.309 -0.978 1.00 0.00 H new ATOM 0 HB2 PRO C 38 -13.413 8.618 0.552 1.00 0.00 H new ATOM 0 HB3 PRO C 38 -12.079 8.478 -0.576 1.00 0.00 H new ATOM 0 HG2 PRO C 38 -14.753 9.818 -0.965 1.00 0.00 H new ATOM 0 HG3 PRO C 38 -13.161 10.388 -1.427 1.00 0.00 H new ATOM 0 HD2 PRO C 38 -14.803 9.267 -3.256 1.00 0.00 H new ATOM 0 HD3 PRO C 38 -13.072 9.007 -3.339 1.00 0.00 H new ATOM 1363 N SER C 39 -16.110 6.739 -0.678 1.00 0.00 N ATOM 1364 CA SER C 39 -17.283 6.282 0.042 1.00 0.00 C ATOM 1365 C SER C 39 -17.354 4.760 -0.028 1.00 0.00 C ATOM 1366 O SER C 39 -17.662 4.092 0.958 1.00 0.00 O ATOM 1367 CB SER C 39 -18.551 6.916 -0.538 1.00 0.00 C ATOM 1368 OG SER C 39 -19.666 6.708 0.313 1.00 0.00 O ATOM 0 H SER C 39 -16.298 7.087 -1.618 1.00 0.00 H new ATOM 0 HA SER C 39 -17.209 6.587 1.086 1.00 0.00 H new ATOM 0 HB2 SER C 39 -18.393 7.985 -0.680 1.00 0.00 H new ATOM 0 HB3 SER C 39 -18.756 6.491 -1.520 1.00 0.00 H new ATOM 0 HG SER C 39 -20.461 7.124 -0.081 1.00 0.00 H new ATOM 1374 N GLN C 40 -17.042 4.208 -1.193 1.00 0.00 N ATOM 1375 CA GLN C 40 -16.967 2.769 -1.362 1.00 0.00 C ATOM 1376 C GLN C 40 -15.642 2.221 -0.856 1.00 0.00 C ATOM 1377 O GLN C 40 -15.409 1.028 -0.942 1.00 0.00 O ATOM 1378 CB GLN C 40 -17.127 2.423 -2.831 1.00 0.00 C ATOM 1379 CG GLN C 40 -18.422 2.928 -3.412 1.00 0.00 C ATOM 1380 CD GLN C 40 -19.622 2.116 -2.962 1.00 0.00 C ATOM 1381 OE1 GLN C 40 -19.515 0.915 -2.689 1.00 0.00 O ATOM 1382 NE2 GLN C 40 -20.771 2.761 -2.873 1.00 0.00 N ATOM 0 H GLN C 40 -16.836 4.742 -2.038 1.00 0.00 H new ATOM 0 HA GLN C 40 -17.769 2.316 -0.780 1.00 0.00 H new ATOM 0 HB2 GLN C 40 -16.293 2.845 -3.392 1.00 0.00 H new ATOM 0 HB3 GLN C 40 -17.077 1.341 -2.952 1.00 0.00 H new ATOM 0 HG2 GLN C 40 -18.564 3.969 -3.122 1.00 0.00 H new ATOM 0 HG3 GLN C 40 -18.361 2.905 -4.500 1.00 0.00 H new ATOM 0 HE21 GLN C 40 -20.819 3.753 -3.107 1.00 0.00 H new ATOM 0 HE22 GLN C 40 -21.611 2.268 -2.570 1.00 0.00 H new ATOM 1391 N SER C 41 -14.789 3.106 -0.342 1.00 0.00 N ATOM 1392 CA SER C 41 -13.435 2.756 0.116 1.00 0.00 C ATOM 1393 C SER C 41 -13.371 1.384 0.804 1.00 0.00 C ATOM 1394 O SER C 41 -12.699 0.475 0.321 1.00 0.00 O ATOM 1395 CB SER C 41 -12.920 3.843 1.062 1.00 0.00 C ATOM 1396 OG SER C 41 -11.628 3.545 1.552 1.00 0.00 O ATOM 0 H SER C 41 -15.015 4.094 -0.229 1.00 0.00 H new ATOM 0 HA SER C 41 -12.800 2.692 -0.768 1.00 0.00 H new ATOM 0 HB2 SER C 41 -12.899 4.799 0.539 1.00 0.00 H new ATOM 0 HB3 SER C 41 -13.610 3.953 1.899 1.00 0.00 H new ATOM 0 HG SER C 41 -11.547 3.863 2.475 1.00 0.00 H new ATOM 1402 N ALA C 42 -14.077 1.240 1.924 1.00 0.00 N ATOM 1403 CA ALA C 42 -14.121 -0.021 2.664 1.00 0.00 C ATOM 1404 C ALA C 42 -14.514 -1.202 1.780 1.00 0.00 C ATOM 1405 O ALA C 42 -13.939 -2.286 1.876 1.00 0.00 O ATOM 1406 CB ALA C 42 -15.104 0.106 3.811 1.00 0.00 C ATOM 0 H ALA C 42 -14.631 1.988 2.342 1.00 0.00 H new ATOM 0 HA ALA C 42 -13.117 -0.218 3.040 1.00 0.00 H new ATOM 0 HB1 ALA C 42 -15.140 -0.832 4.365 1.00 0.00 H new ATOM 0 HB2 ALA C 42 -14.785 0.909 4.476 1.00 0.00 H new ATOM 0 HB3 ALA C 42 -16.095 0.333 3.418 1.00 0.00 H new ATOM 1412 N ASN C 43 -15.492 -0.981 0.920 1.00 0.00 N ATOM 1413 CA ASN C 43 -15.995 -2.025 0.034 1.00 0.00 C ATOM 1414 C ASN C 43 -15.018 -2.292 -1.102 1.00 0.00 C ATOM 1415 O ASN C 43 -14.933 -3.405 -1.608 1.00 0.00 O ATOM 1416 CB ASN C 43 -17.363 -1.629 -0.526 1.00 0.00 C ATOM 1417 CG ASN C 43 -17.951 -2.671 -1.460 1.00 0.00 C ATOM 1418 OD1 ASN C 43 -17.737 -3.873 -1.296 1.00 0.00 O ATOM 1419 ND2 ASN C 43 -18.697 -2.212 -2.453 1.00 0.00 N ATOM 0 H ASN C 43 -15.960 -0.081 0.813 1.00 0.00 H new ATOM 0 HA ASN C 43 -16.102 -2.942 0.614 1.00 0.00 H new ATOM 0 HB2 ASN C 43 -18.053 -1.462 0.301 1.00 0.00 H new ATOM 0 HB3 ASN C 43 -17.270 -0.683 -1.060 1.00 0.00 H new ATOM 0 HD21 ASN C 43 -19.119 -2.862 -3.117 1.00 0.00 H new ATOM 0 HD22 ASN C 43 -18.850 -1.209 -2.554 1.00 0.00 H new ATOM 1426 N LEU C 44 -14.277 -1.270 -1.495 1.00 0.00 N ATOM 1427 CA LEU C 44 -13.254 -1.423 -2.512 1.00 0.00 C ATOM 1428 C LEU C 44 -12.073 -2.177 -1.919 1.00 0.00 C ATOM 1429 O LEU C 44 -11.369 -2.905 -2.622 1.00 0.00 O ATOM 1430 CB LEU C 44 -12.826 -0.054 -3.055 1.00 0.00 C ATOM 1431 CG LEU C 44 -13.705 0.546 -4.173 1.00 0.00 C ATOM 1432 CD1 LEU C 44 -15.107 -0.043 -4.178 1.00 0.00 C ATOM 1433 CD2 LEU C 44 -13.786 2.058 -4.022 1.00 0.00 C ATOM 0 H LEU C 44 -14.366 -0.324 -1.124 1.00 0.00 H new ATOM 0 HA LEU C 44 -13.652 -1.995 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU C 44 -12.802 0.651 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU C 44 -11.806 -0.139 -3.431 1.00 0.00 H new ATOM 0 HG LEU C 44 -13.235 0.294 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU C 44 -15.689 0.409 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU C 44 -15.049 -1.120 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU C 44 -15.590 0.159 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU C 44 -14.409 2.470 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU C 44 -14.222 2.304 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU C 44 -12.785 2.484 -4.088 1.00 0.00 H new ATOM 1445 N LEU C 45 -11.879 -2.024 -0.609 1.00 0.00 N ATOM 1446 CA LEU C 45 -10.902 -2.802 0.108 1.00 0.00 C ATOM 1447 C LEU C 45 -11.366 -4.245 0.226 1.00 0.00 C ATOM 1448 O LEU C 45 -10.585 -5.175 0.040 1.00 0.00 O ATOM 1449 CB LEU C 45 -10.683 -2.177 1.481 1.00 0.00 C ATOM 1450 CG LEU C 45 -9.727 -1.003 1.489 1.00 0.00 C ATOM 1451 CD1 LEU C 45 -9.865 -0.242 2.774 1.00 0.00 C ATOM 1452 CD2 LEU C 45 -8.296 -1.441 1.270 1.00 0.00 C ATOM 0 H LEU C 45 -12.395 -1.361 -0.031 1.00 0.00 H new ATOM 0 HA LEU C 45 -9.956 -2.803 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU C 45 -11.645 -1.849 1.875 1.00 0.00 H new ATOM 0 HB3 LEU C 45 -10.305 -2.942 2.159 1.00 0.00 H new ATOM 0 HG LEU C 45 -9.989 -0.348 0.658 1.00 0.00 H new ATOM 0 HD11 LEU C 45 -9.174 0.601 2.773 1.00 0.00 H new ATOM 0 HD12 LEU C 45 -10.887 0.126 2.871 1.00 0.00 H new ATOM 0 HD13 LEU C 45 -9.634 -0.899 3.613 1.00 0.00 H new ATOM 0 HD21 LEU C 45 -7.642 -0.569 1.283 1.00 0.00 H new ATOM 0 HD22 LEU C 45 -8.000 -2.128 2.063 1.00 0.00 H new ATOM 0 HD23 LEU C 45 -8.213 -1.943 0.306 1.00 0.00 H new ATOM 1464 N ALA C 46 -12.650 -4.420 0.511 1.00 0.00 N ATOM 1465 CA ALA C 46 -13.256 -5.743 0.566 1.00 0.00 C ATOM 1466 C ALA C 46 -13.233 -6.402 -0.811 1.00 0.00 C ATOM 1467 O ALA C 46 -13.036 -7.611 -0.935 1.00 0.00 O ATOM 1468 CB ALA C 46 -14.684 -5.641 1.084 1.00 0.00 C ATOM 0 H ALA C 46 -13.296 -3.656 0.709 1.00 0.00 H new ATOM 0 HA ALA C 46 -12.678 -6.364 1.250 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -15.129 -6.635 1.122 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -14.678 -5.208 2.084 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -15.268 -5.007 0.417 1.00 0.00 H new ATOM 1474 N GLU C 47 -13.432 -5.590 -1.841 1.00 0.00 N ATOM 1475 CA GLU C 47 -13.440 -6.065 -3.216 1.00 0.00 C ATOM 1476 C GLU C 47 -12.053 -6.535 -3.632 1.00 0.00 C ATOM 1477 O GLU C 47 -11.884 -7.655 -4.103 1.00 0.00 O ATOM 1478 CB GLU C 47 -13.916 -4.959 -4.157 1.00 0.00 C ATOM 1479 CG GLU C 47 -14.101 -5.425 -5.588 1.00 0.00 C ATOM 1480 CD GLU C 47 -15.175 -6.486 -5.710 1.00 0.00 C ATOM 1481 OE1 GLU C 47 -16.354 -6.121 -5.908 1.00 0.00 O ATOM 1482 OE2 GLU C 47 -14.853 -7.686 -5.597 1.00 0.00 O ATOM 0 H GLU C 47 -13.592 -4.587 -1.746 1.00 0.00 H new ATOM 0 HA GLU C 47 -14.128 -6.908 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU C 47 -14.860 -4.559 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU C 47 -13.195 -4.142 -4.139 1.00 0.00 H new ATOM 0 HG2 GLU C 47 -14.362 -4.572 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU C 47 -13.158 -5.820 -5.964 1.00 0.00 H new ATOM 1489 N ALA C 48 -11.061 -5.673 -3.463 1.00 0.00 N ATOM 1490 CA ALA C 48 -9.687 -6.038 -3.774 1.00 0.00 C ATOM 1491 C ALA C 48 -9.222 -7.199 -2.904 1.00 0.00 C ATOM 1492 O ALA C 48 -8.381 -7.994 -3.320 1.00 0.00 O ATOM 1493 CB ALA C 48 -8.751 -4.850 -3.605 1.00 0.00 C ATOM 0 H ALA C 48 -11.180 -4.722 -3.114 1.00 0.00 H new ATOM 0 HA ALA C 48 -9.659 -6.352 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -7.732 -5.153 -3.844 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.058 -4.047 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -8.792 -4.498 -2.574 1.00 0.00 H new ATOM 1499 N LYS C 49 -9.755 -7.290 -1.687 1.00 0.00 N ATOM 1500 CA LYS C 49 -9.416 -8.390 -0.793 1.00 0.00 C ATOM 1501 C LYS C 49 -9.845 -9.726 -1.390 1.00 0.00 C ATOM 1502 O LYS C 49 -9.294 -10.764 -1.048 1.00 0.00 O ATOM 1503 CB LYS C 49 -10.038 -8.190 0.591 1.00 0.00 C ATOM 1504 CG LYS C 49 -9.019 -7.865 1.671 1.00 0.00 C ATOM 1505 CD LYS C 49 -8.015 -8.995 1.854 1.00 0.00 C ATOM 1506 CE LYS C 49 -7.105 -8.759 3.050 1.00 0.00 C ATOM 1507 NZ LYS C 49 -7.837 -8.846 4.341 1.00 0.00 N ATOM 0 H LYS C 49 -10.419 -6.619 -1.301 1.00 0.00 H new ATOM 0 HA LYS C 49 -8.333 -8.401 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS C 49 -10.770 -7.384 0.539 1.00 0.00 H new ATOM 0 HB3 LYS C 49 -10.578 -9.094 0.872 1.00 0.00 H new ATOM 0 HG2 LYS C 49 -8.491 -6.948 1.410 1.00 0.00 H new ATOM 0 HG3 LYS C 49 -9.534 -7.679 2.614 1.00 0.00 H new ATOM 0 HD2 LYS C 49 -8.548 -9.937 1.984 1.00 0.00 H new ATOM 0 HD3 LYS C 49 -7.411 -9.093 0.952 1.00 0.00 H new ATOM 0 HE2 LYS C 49 -6.299 -9.493 3.041 1.00 0.00 H new ATOM 0 HE3 LYS C 49 -6.642 -7.776 2.963 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 -7.155 -8.882 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 -8.447 -8.011 4.451 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 -8.422 -9.706 4.351 1.00 0.00 H new ATOM 1521 N LYS C 50 -10.818 -9.687 -2.293 1.00 0.00 N ATOM 1522 CA LYS C 50 -11.211 -10.870 -3.048 1.00 0.00 C ATOM 1523 C LYS C 50 -10.071 -11.280 -3.976 1.00 0.00 C ATOM 1524 O LYS C 50 -9.764 -12.459 -4.120 1.00 0.00 O ATOM 1525 CB LYS C 50 -12.480 -10.578 -3.855 1.00 0.00 C ATOM 1526 CG LYS C 50 -13.004 -11.757 -4.656 1.00 0.00 C ATOM 1527 CD LYS C 50 -14.181 -11.340 -5.521 1.00 0.00 C ATOM 1528 CE LYS C 50 -14.773 -12.514 -6.278 1.00 0.00 C ATOM 1529 NZ LYS C 50 -15.894 -12.093 -7.160 1.00 0.00 N ATOM 0 H LYS C 50 -11.350 -8.847 -2.520 1.00 0.00 H new ATOM 0 HA LYS C 50 -11.421 -11.689 -2.360 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -13.261 -10.244 -3.172 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -12.279 -9.752 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -12.209 -12.158 -5.285 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -13.309 -12.556 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -14.950 -10.888 -4.894 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -13.858 -10.577 -6.230 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -13.997 -12.988 -6.878 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -15.129 -13.261 -5.569 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -16.272 -12.922 -7.660 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -16.646 -11.663 -6.584 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -15.549 -11.399 -7.853 1.00 0.00 H new ATOM 1543 N LEU C 51 -9.440 -10.283 -4.584 1.00 0.00 N ATOM 1544 CA LEU C 51 -8.265 -10.492 -5.428 1.00 0.00 C ATOM 1545 C LEU C 51 -7.089 -11.011 -4.606 1.00 0.00 C ATOM 1546 O LEU C 51 -6.437 -11.992 -4.976 1.00 0.00 O ATOM 1547 CB LEU C 51 -7.872 -9.178 -6.096 1.00 0.00 C ATOM 1548 CG LEU C 51 -8.666 -8.795 -7.337 1.00 0.00 C ATOM 1549 CD1 LEU C 51 -8.560 -7.300 -7.582 1.00 0.00 C ATOM 1550 CD2 LEU C 51 -8.142 -9.560 -8.537 1.00 0.00 C ATOM 0 H LEU C 51 -9.726 -9.307 -4.507 1.00 0.00 H new ATOM 0 HA LEU C 51 -8.516 -11.234 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU C 51 -7.972 -8.377 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU C 51 -6.817 -9.232 -6.366 1.00 0.00 H new ATOM 0 HG LEU C 51 -9.714 -9.051 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU C 51 -9.131 -7.036 -8.472 1.00 0.00 H new ATOM 0 HD12 LEU C 51 -8.958 -6.761 -6.722 1.00 0.00 H new ATOM 0 HD13 LEU C 51 -7.515 -7.028 -7.728 1.00 0.00 H new ATOM 0 HD21 LEU C 51 -8.713 -9.283 -9.423 1.00 0.00 H new ATOM 0 HD22 LEU C 51 -7.091 -9.317 -8.692 1.00 0.00 H new ATOM 0 HD23 LEU C 51 -8.245 -10.630 -8.359 1.00 0.00 H new ATOM 1562 N ASN C 52 -6.802 -10.318 -3.506 1.00 0.00 N ATOM 1563 CA ASN C 52 -5.779 -10.751 -2.559 1.00 0.00 C ATOM 1564 C ASN C 52 -6.035 -12.185 -2.079 1.00 0.00 C ATOM 1565 O ASN C 52 -5.103 -12.973 -1.944 1.00 0.00 O ATOM 1566 CB ASN C 52 -5.720 -9.778 -1.370 1.00 0.00 C ATOM 1567 CG ASN C 52 -4.943 -10.326 -0.186 1.00 0.00 C ATOM 1568 OD1 ASN C 52 -3.639 -10.116 -0.185 1.00 0.00 O flip ATOM 1569 ND2 ASN C 52 -5.512 -10.928 0.721 1.00 0.00 N flip ATOM 0 H ASN C 52 -7.268 -9.448 -3.248 1.00 0.00 H new ATOM 0 HA ASN C 52 -4.815 -10.745 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN C 52 -5.262 -8.844 -1.696 1.00 0.00 H new ATOM 0 HB3 ASN C 52 -6.735 -9.541 -1.052 1.00 0.00 H new ATOM 0 HD21 ASN C 52 -6.521 -11.070 0.684 1.00 0.00 H new ATOM 0 HD22 ASN C 52 -4.975 -11.286 1.511 1.00 0.00 H new ATOM 1576 N ASP C 53 -7.305 -12.516 -1.863 1.00 0.00 N ATOM 1577 CA ASP C 53 -7.694 -13.844 -1.386 1.00 0.00 C ATOM 1578 C ASP C 53 -7.619 -14.879 -2.502 1.00 0.00 C ATOM 1579 O ASP C 53 -7.288 -16.041 -2.271 1.00 0.00 O ATOM 1580 CB ASP C 53 -9.114 -13.798 -0.815 1.00 0.00 C ATOM 1581 CG ASP C 53 -9.620 -15.152 -0.360 1.00 0.00 C ATOM 1582 OD1 ASP C 53 -10.209 -15.881 -1.188 1.00 0.00 O ATOM 1583 OD2 ASP C 53 -9.452 -15.490 0.833 1.00 0.00 O ATOM 0 H ASP C 53 -8.088 -11.880 -2.011 1.00 0.00 H new ATOM 0 HA ASP C 53 -6.995 -14.139 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP C 53 -9.137 -13.107 0.028 1.00 0.00 H new ATOM 0 HB3 ASP C 53 -9.790 -13.401 -1.572 1.00 0.00 H new ATOM 1588 N ALA C 54 -7.927 -14.442 -3.709 1.00 0.00 N ATOM 1589 CA ALA C 54 -7.936 -15.309 -4.877 1.00 0.00 C ATOM 1590 C ALA C 54 -6.573 -15.941 -5.120 1.00 0.00 C ATOM 1591 O ALA C 54 -6.458 -17.155 -5.298 1.00 0.00 O ATOM 1592 CB ALA C 54 -8.356 -14.508 -6.090 1.00 0.00 C ATOM 0 H ALA C 54 -8.179 -13.474 -3.910 1.00 0.00 H new ATOM 0 HA ALA C 54 -8.646 -16.116 -4.697 1.00 0.00 H new ATOM 0 HB1 ALA C 54 -8.364 -15.154 -6.968 1.00 0.00 H new ATOM 0 HB2 ALA C 54 -9.355 -14.101 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA C 54 -7.652 -13.691 -6.248 1.00 0.00 H new ATOM 1598 N GLN C 55 -5.539 -15.115 -5.111 1.00 0.00 N ATOM 1599 CA GLN C 55 -4.186 -15.582 -5.381 1.00 0.00 C ATOM 1600 C GLN C 55 -3.503 -16.013 -4.081 1.00 0.00 C ATOM 1601 O GLN C 55 -2.311 -16.324 -4.055 1.00 0.00 O ATOM 1602 CB GLN C 55 -3.387 -14.478 -6.084 1.00 0.00 C ATOM 1603 CG GLN C 55 -2.063 -14.947 -6.671 1.00 0.00 C ATOM 1604 CD GLN C 55 -2.233 -16.057 -7.692 1.00 0.00 C ATOM 1605 OE1 GLN C 55 -3.248 -16.134 -8.386 1.00 0.00 O ATOM 1606 NE2 GLN C 55 -1.244 -16.930 -7.786 1.00 0.00 N ATOM 0 H GLN C 55 -5.610 -14.116 -4.919 1.00 0.00 H new ATOM 0 HA GLN C 55 -4.230 -16.449 -6.040 1.00 0.00 H new ATOM 0 HB2 GLN C 55 -3.997 -14.055 -6.882 1.00 0.00 H new ATOM 0 HB3 GLN C 55 -3.193 -13.676 -5.372 1.00 0.00 H new ATOM 0 HG2 GLN C 55 -1.559 -14.102 -7.140 1.00 0.00 H new ATOM 0 HG3 GLN C 55 -1.417 -15.296 -5.866 1.00 0.00 H new ATOM 0 HE21 GLN C 55 -0.419 -16.832 -7.194 1.00 0.00 H new ATOM 0 HE22 GLN C 55 -1.306 -17.701 -8.451 1.00 0.00 H new ATOM 1615 N ALA C 56 -4.269 -16.033 -3.000 1.00 0.00 N ATOM 1616 CA ALA C 56 -3.755 -16.446 -1.708 1.00 0.00 C ATOM 1617 C ALA C 56 -3.772 -17.965 -1.589 1.00 0.00 C ATOM 1618 O ALA C 56 -4.847 -18.530 -1.299 1.00 0.00 O ATOM 1619 CB ALA C 56 -4.574 -15.810 -0.601 1.00 0.00 C ATOM 0 H ALA C 56 -5.253 -15.766 -2.995 1.00 0.00 H new ATOM 0 HA ALA C 56 -2.722 -16.112 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA C 56 -4.183 -16.124 0.367 1.00 0.00 H new ATOM 0 HB2 ALA C 56 -4.514 -14.725 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA C 56 -5.614 -16.124 -0.692 1.00 0.00 H new TER 1625 ALA C 56