USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 TYR OH : rot 142:sc= 1.34 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 1.04 K(o=2.4,f=-5.6!) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0366 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 26:sc= 0.00119 USER MOD Single : A 13 GLN : amide:sc= -5.01! C(o=-5!,f=-15!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 29 ASN : amide:sc= -0.0232 K(o=-0.023,f=-1.6!) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.0852 K(o=0.085,f=-0.73) USER MOD Single : A 38 ASN : amide:sc= -2.61 K(o=-2.6,f=-4.1!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 145:sc= -1.26 (180deg=-2.65!) USER MOD Single : A 44 SER OG : rot -97:sc= 0.282 USER MOD Single : A 45 ASN : amide:sc= -1.45! K(o=-1.5!,f=-0.026) USER MOD Single : A 47 MET CE :methyl 141:sc= -9.45! (180deg=-13.6!) USER MOD Single : A 50 GLN : amide:sc= -0.803 K(o=-0.8,f=-0.18) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 68 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.011) USER MOD Single : A 71 GLN : amide:sc= -0.0401 K(o=-0.04,f=-1) USER MOD Single : A 75 SER OG : rot 180:sc= -0.022 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.986 -18.688 -21.283 1.00 0.00 N ATOM 2 CA GLY A 1 3.971 -17.737 -21.763 1.00 0.00 C ATOM 3 C GLY A 1 5.206 -17.689 -20.886 1.00 0.00 C ATOM 4 O GLY A 1 5.136 -17.961 -19.688 1.00 0.00 O ATOM 0 H1 GLY A 1 2.036 -18.272 -21.360 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.032 -19.555 -21.856 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.183 -18.919 -20.288 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.261 -18.001 -22.780 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.522 -16.745 -21.807 1.00 0.00 H new ATOM 8 N SER A 2 6.342 -17.344 -21.485 1.00 0.00 N ATOM 9 CA SER A 2 7.600 -17.267 -20.751 1.00 0.00 C ATOM 10 C SER A 2 7.730 -15.926 -20.035 1.00 0.00 C ATOM 11 O SER A 2 7.021 -14.970 -20.351 1.00 0.00 O ATOM 12 CB SER A 2 8.782 -17.468 -21.701 1.00 0.00 C ATOM 13 OG SER A 2 9.979 -17.709 -20.982 1.00 0.00 O ATOM 0 H SER A 2 6.417 -17.114 -22.476 1.00 0.00 H new ATOM 0 HA SER A 2 7.605 -18.060 -20.003 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.579 -18.307 -22.367 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.903 -16.585 -22.328 1.00 0.00 H new ATOM 0 HG SER A 2 10.719 -17.836 -21.612 1.00 0.00 H new ATOM 19 N SER A 3 8.641 -15.863 -19.069 1.00 0.00 N ATOM 20 CA SER A 3 8.862 -14.641 -18.305 1.00 0.00 C ATOM 21 C SER A 3 7.570 -14.172 -17.645 1.00 0.00 C ATOM 22 O SER A 3 6.530 -14.820 -17.759 1.00 0.00 O ATOM 23 CB SER A 3 9.413 -13.540 -19.213 1.00 0.00 C ATOM 24 OG SER A 3 10.571 -12.947 -18.651 1.00 0.00 O ATOM 0 H SER A 3 9.238 -16.644 -18.797 1.00 0.00 H new ATOM 0 HA SER A 3 9.591 -14.857 -17.524 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.652 -13.957 -20.191 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.650 -12.778 -19.370 1.00 0.00 H new ATOM 0 HG SER A 3 10.905 -12.248 -19.251 1.00 0.00 H new ATOM 30 N GLY A 4 7.644 -13.039 -16.952 1.00 0.00 N ATOM 31 CA GLY A 4 6.474 -12.502 -16.282 1.00 0.00 C ATOM 32 C GLY A 4 6.367 -10.996 -16.422 1.00 0.00 C ATOM 33 O GLY A 4 5.938 -10.491 -17.459 1.00 0.00 O ATOM 0 H GLY A 4 8.493 -12.484 -16.843 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.578 -12.967 -16.693 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.512 -12.764 -15.225 1.00 0.00 H new ATOM 37 N SER A 5 6.756 -10.277 -15.373 1.00 0.00 N ATOM 38 CA SER A 5 6.696 -8.820 -15.381 1.00 0.00 C ATOM 39 C SER A 5 8.010 -8.220 -14.889 1.00 0.00 C ATOM 40 O SER A 5 8.342 -8.312 -13.707 1.00 0.00 O ATOM 41 CB SER A 5 5.540 -8.331 -14.507 1.00 0.00 C ATOM 42 OG SER A 5 5.247 -9.263 -13.481 1.00 0.00 O ATOM 0 H SER A 5 7.116 -10.680 -14.508 1.00 0.00 H new ATOM 0 HA SER A 5 6.529 -8.493 -16.407 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.796 -7.368 -14.065 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.655 -8.174 -15.124 1.00 0.00 H new ATOM 0 HG SER A 5 4.506 -8.926 -12.935 1.00 0.00 H new ATOM 48 N SER A 6 8.752 -7.606 -15.804 1.00 0.00 N ATOM 49 CA SER A 6 10.032 -6.994 -15.466 1.00 0.00 C ATOM 50 C SER A 6 9.830 -5.769 -14.579 1.00 0.00 C ATOM 51 O SER A 6 10.632 -5.494 -13.688 1.00 0.00 O ATOM 52 CB SER A 6 10.785 -6.599 -16.737 1.00 0.00 C ATOM 53 OG SER A 6 11.775 -7.558 -17.063 1.00 0.00 O ATOM 0 H SER A 6 8.489 -7.519 -16.786 1.00 0.00 H new ATOM 0 HA SER A 6 10.623 -7.726 -14.916 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.082 -6.502 -17.564 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.251 -5.623 -16.599 1.00 0.00 H new ATOM 0 HG SER A 6 12.241 -7.283 -17.880 1.00 0.00 H new ATOM 59 N GLY A 7 8.750 -5.034 -14.832 1.00 0.00 N ATOM 60 CA GLY A 7 8.461 -3.847 -14.049 1.00 0.00 C ATOM 61 C GLY A 7 8.146 -2.644 -14.916 1.00 0.00 C ATOM 62 O GLY A 7 7.006 -2.186 -14.989 1.00 0.00 O ATOM 0 H GLY A 7 8.071 -5.240 -15.565 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.616 -4.047 -13.390 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.316 -3.618 -13.412 1.00 0.00 H new ATOM 66 N PRO A 8 9.175 -2.111 -15.591 1.00 0.00 N ATOM 67 CA PRO A 8 9.027 -0.946 -16.469 1.00 0.00 C ATOM 68 C PRO A 8 8.237 -1.268 -17.732 1.00 0.00 C ATOM 69 O PRO A 8 8.815 -1.557 -18.780 1.00 0.00 O ATOM 70 CB PRO A 8 10.472 -0.580 -16.820 1.00 0.00 C ATOM 71 CG PRO A 8 11.232 -1.853 -16.668 1.00 0.00 C ATOM 72 CD PRO A 8 10.562 -2.605 -15.552 1.00 0.00 C ATOM 0 HA PRO A 8 8.474 -0.140 -15.987 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.547 -0.193 -17.836 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.857 0.193 -16.155 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.215 -2.430 -17.593 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.278 -1.657 -16.433 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.609 -3.683 -15.709 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.034 -2.402 -14.591 1.00 0.00 H new ATOM 80 N ARG A 9 6.913 -1.215 -17.626 1.00 0.00 N ATOM 81 CA ARG A 9 6.044 -1.502 -18.761 1.00 0.00 C ATOM 82 C ARG A 9 4.586 -1.213 -18.416 1.00 0.00 C ATOM 83 O ARG A 9 4.082 -1.658 -17.385 1.00 0.00 O ATOM 84 CB ARG A 9 6.197 -2.962 -19.192 1.00 0.00 C ATOM 85 CG ARG A 9 6.812 -3.129 -20.572 1.00 0.00 C ATOM 86 CD ARG A 9 5.753 -3.430 -21.621 1.00 0.00 C ATOM 87 NE ARG A 9 6.238 -3.181 -22.975 1.00 0.00 N ATOM 88 CZ ARG A 9 6.478 -1.968 -23.459 1.00 0.00 C ATOM 89 NH1 ARG A 9 6.279 -0.898 -22.702 1.00 0.00 N ATOM 90 NH2 ARG A 9 6.919 -1.823 -24.702 1.00 0.00 N ATOM 0 H ARG A 9 6.419 -0.976 -16.766 1.00 0.00 H new ATOM 0 HA ARG A 9 6.340 -0.854 -19.586 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.816 -3.484 -18.462 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.217 -3.440 -19.180 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.348 -2.220 -20.845 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.544 -3.936 -20.550 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.441 -4.471 -21.533 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.872 -2.817 -21.433 1.00 0.00 H new ATOM 0 HE ARG A 9 6.402 -3.983 -23.583 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.941 -1.006 -21.746 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.464 0.033 -23.076 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.074 -2.644 -25.287 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.103 -0.891 -25.072 1.00 0.00 H new ATOM 104 N CYS A 10 3.916 -0.464 -19.285 1.00 0.00 N ATOM 105 CA CYS A 10 2.516 -0.114 -19.072 1.00 0.00 C ATOM 106 C CYS A 10 1.758 -0.073 -20.395 1.00 0.00 C ATOM 107 O CYS A 10 2.345 0.037 -21.472 1.00 0.00 O ATOM 108 CB CYS A 10 2.408 1.239 -18.367 1.00 0.00 C ATOM 109 SG CYS A 10 2.336 1.128 -16.564 1.00 0.00 S ATOM 0 H CYS A 10 4.319 -0.088 -20.143 1.00 0.00 H new ATOM 0 HA CYS A 10 2.068 -0.881 -18.441 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.264 1.853 -18.649 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.516 1.753 -18.725 1.00 0.00 H new ATOM 0 HG CYS A 10 2.915 0.032 -16.173 1.00 0.00 H new ATOM 115 N PRO A 11 0.422 -0.166 -20.315 1.00 0.00 N ATOM 116 CA PRO A 11 -0.445 -0.143 -21.497 1.00 0.00 C ATOM 117 C PRO A 11 -0.481 1.229 -22.163 1.00 0.00 C ATOM 118 O PRO A 11 -0.978 2.197 -21.586 1.00 0.00 O ATOM 119 CB PRO A 11 -1.822 -0.500 -20.933 1.00 0.00 C ATOM 120 CG PRO A 11 -1.767 -0.083 -19.504 1.00 0.00 C ATOM 121 CD PRO A 11 -0.345 -0.299 -19.065 1.00 0.00 C ATOM 0 HA PRO A 11 -0.096 -0.826 -22.272 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.616 0.022 -21.467 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.023 -1.567 -21.026 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.056 0.962 -19.391 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.456 -0.672 -18.899 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.037 0.439 -18.324 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.209 -1.281 -18.613 1.00 0.00 H new ATOM 129 N VAL A 12 0.047 1.305 -23.380 1.00 0.00 N ATOM 130 CA VAL A 12 0.074 2.558 -24.125 1.00 0.00 C ATOM 131 C VAL A 12 -0.891 2.516 -25.305 1.00 0.00 C ATOM 132 O VAL A 12 -1.106 1.463 -25.906 1.00 0.00 O ATOM 133 CB VAL A 12 1.489 2.873 -24.644 1.00 0.00 C ATOM 134 CG1 VAL A 12 1.533 4.259 -25.268 1.00 0.00 C ATOM 135 CG2 VAL A 12 2.507 2.753 -23.520 1.00 0.00 C ATOM 0 H VAL A 12 0.462 0.513 -23.871 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.234 3.343 -23.435 1.00 0.00 H new ATOM 0 HB VAL A 12 1.745 2.146 -25.415 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.541 4.464 -25.629 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.833 4.305 -26.102 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.257 5.003 -24.521 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.502 2.979 -23.904 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.257 3.456 -22.726 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.493 1.738 -23.123 1.00 0.00 H new ATOM 145 N GLN A 13 -1.468 3.667 -25.632 1.00 0.00 N ATOM 146 CA GLN A 13 -2.411 3.762 -26.740 1.00 0.00 C ATOM 147 C GLN A 13 -1.939 4.783 -27.770 1.00 0.00 C ATOM 148 O GLN A 13 -0.882 5.396 -27.614 1.00 0.00 O ATOM 149 CB GLN A 13 -3.800 4.143 -26.226 1.00 0.00 C ATOM 150 CG GLN A 13 -3.770 4.990 -24.964 1.00 0.00 C ATOM 151 CD GLN A 13 -3.061 6.315 -25.167 1.00 0.00 C ATOM 152 OE1 GLN A 13 -1.860 6.354 -25.438 1.00 0.00 O ATOM 153 NE2 GLN A 13 -3.802 7.409 -25.038 1.00 0.00 N ATOM 0 H GLN A 13 -1.299 4.547 -25.145 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.466 2.786 -27.221 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.330 4.688 -27.007 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.368 3.234 -26.030 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.791 5.176 -24.631 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.272 4.434 -24.170 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.794 7.330 -24.813 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.380 8.329 -25.164 1.00 0.00 H new ATOM 162 N THR A 14 -2.729 4.962 -28.824 1.00 0.00 N ATOM 163 CA THR A 14 -2.392 5.908 -29.881 1.00 0.00 C ATOM 164 C THR A 14 -3.476 6.969 -30.035 1.00 0.00 C ATOM 165 O THR A 14 -4.578 6.826 -29.506 1.00 0.00 O ATOM 166 CB THR A 14 -2.192 5.194 -31.231 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.393 4.508 -31.605 1.00 0.00 O ATOM 168 CG2 THR A 14 -1.040 4.204 -31.154 1.00 0.00 C ATOM 0 H THR A 14 -3.607 4.464 -28.969 1.00 0.00 H new ATOM 0 HA THR A 14 -1.457 6.387 -29.590 1.00 0.00 H new ATOM 0 HB THR A 14 -1.954 5.946 -31.983 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.258 4.058 -32.465 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.918 3.712 -32.119 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.122 4.733 -30.898 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.253 3.456 -30.390 1.00 0.00 H new ATOM 176 N VAL A 15 -3.156 8.033 -30.764 1.00 0.00 N ATOM 177 CA VAL A 15 -4.103 9.118 -30.990 1.00 0.00 C ATOM 178 C VAL A 15 -5.413 8.593 -31.567 1.00 0.00 C ATOM 179 O VAL A 15 -6.470 9.194 -31.383 1.00 0.00 O ATOM 180 CB VAL A 15 -3.523 10.180 -31.943 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.539 11.284 -32.193 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.230 10.751 -31.381 1.00 0.00 C ATOM 0 H VAL A 15 -2.248 8.167 -31.208 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.295 9.578 -30.020 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.298 9.703 -32.897 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.112 12.025 -32.868 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.436 10.858 -32.642 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.798 11.761 -31.248 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.834 11.500 -32.067 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.427 11.213 -30.414 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.501 9.950 -31.259 1.00 0.00 H new ATOM 192 N GLY A 16 -5.334 7.465 -32.267 1.00 0.00 N ATOM 193 CA GLY A 16 -6.520 6.877 -32.862 1.00 0.00 C ATOM 194 C GLY A 16 -7.385 6.160 -31.843 1.00 0.00 C ATOM 195 O GLY A 16 -8.566 6.472 -31.694 1.00 0.00 O ATOM 0 H GLY A 16 -4.470 6.948 -32.432 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.106 7.659 -33.346 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.222 6.174 -33.640 1.00 0.00 H new ATOM 199 N GLN A 17 -6.795 5.197 -31.143 1.00 0.00 N ATOM 200 CA GLN A 17 -7.521 4.433 -30.135 1.00 0.00 C ATOM 201 C GLN A 17 -7.968 5.332 -28.987 1.00 0.00 C ATOM 202 O GLN A 17 -9.105 5.244 -28.524 1.00 0.00 O ATOM 203 CB GLN A 17 -6.647 3.298 -29.598 1.00 0.00 C ATOM 204 CG GLN A 17 -6.411 2.183 -30.604 1.00 0.00 C ATOM 205 CD GLN A 17 -5.827 0.937 -29.968 1.00 0.00 C ATOM 206 OE1 GLN A 17 -6.490 -0.097 -29.879 1.00 0.00 O ATOM 207 NE2 GLN A 17 -4.580 1.028 -29.522 1.00 0.00 N ATOM 0 H GLN A 17 -5.818 4.927 -31.255 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.408 4.009 -30.606 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.685 3.707 -29.289 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.116 2.879 -28.708 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.354 1.931 -31.089 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.737 2.539 -31.383 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.067 1.905 -29.616 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.135 0.221 -29.085 1.00 0.00 H new ATOM 216 N TRP A 18 -7.068 6.196 -28.534 1.00 0.00 N ATOM 217 CA TRP A 18 -7.370 7.112 -27.440 1.00 0.00 C ATOM 218 C TRP A 18 -8.662 7.875 -27.710 1.00 0.00 C ATOM 219 O TRP A 18 -9.524 7.986 -26.837 1.00 0.00 O ATOM 220 CB TRP A 18 -6.216 8.095 -27.236 1.00 0.00 C ATOM 221 CG TRP A 18 -6.511 9.155 -26.218 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.671 8.978 -24.873 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.683 10.555 -26.464 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.933 10.184 -24.269 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.945 11.167 -25.223 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.640 11.351 -27.612 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -7.162 12.536 -25.100 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.857 12.710 -27.488 1.00 0.00 C ATOM 229 CH2 TRP A 18 -7.115 13.292 -26.240 1.00 0.00 C ATOM 0 H TRP A 18 -6.123 6.282 -28.907 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.500 6.523 -26.532 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.328 7.543 -26.928 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.981 8.571 -28.188 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.602 8.030 -24.360 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -7.093 10.325 -23.271 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.441 10.912 -28.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.361 12.986 -24.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.827 13.335 -28.369 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.280 14.357 -26.176 1.00 0.00 H new ATOM 240 N LEU A 19 -8.791 8.400 -28.924 1.00 0.00 N ATOM 241 CA LEU A 19 -9.979 9.153 -29.310 1.00 0.00 C ATOM 242 C LEU A 19 -11.244 8.331 -29.080 1.00 0.00 C ATOM 243 O LEU A 19 -12.301 8.877 -28.768 1.00 0.00 O ATOM 244 CB LEU A 19 -9.888 9.570 -30.779 1.00 0.00 C ATOM 245 CG LEU A 19 -9.072 10.830 -31.069 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.582 10.828 -32.509 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.897 12.077 -30.786 1.00 0.00 C ATOM 0 H LEU A 19 -8.087 8.318 -29.658 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.030 10.046 -28.688 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.457 8.744 -31.345 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.899 9.721 -31.156 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.203 10.837 -30.411 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.003 11.732 -32.698 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.954 9.953 -32.678 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.437 10.797 -33.184 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.300 12.964 -30.998 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.785 12.077 -31.419 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.198 12.084 -29.738 1.00 0.00 H new ATOM 259 N GLU A 20 -11.125 7.016 -29.235 1.00 0.00 N ATOM 260 CA GLU A 20 -12.258 6.120 -29.042 1.00 0.00 C ATOM 261 C GLU A 20 -12.571 5.948 -27.559 1.00 0.00 C ATOM 262 O GLU A 20 -13.704 5.646 -27.183 1.00 0.00 O ATOM 263 CB GLU A 20 -11.972 4.756 -29.675 1.00 0.00 C ATOM 264 CG GLU A 20 -11.556 4.838 -31.134 1.00 0.00 C ATOM 265 CD GLU A 20 -12.477 4.054 -32.048 1.00 0.00 C ATOM 266 OE1 GLU A 20 -12.860 2.925 -31.677 1.00 0.00 O ATOM 267 OE2 GLU A 20 -12.815 4.569 -33.134 1.00 0.00 O ATOM 0 H GLU A 20 -10.256 6.548 -29.493 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.126 6.565 -29.529 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.184 4.260 -29.108 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.863 4.133 -29.594 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.543 5.882 -31.446 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.539 4.461 -31.240 1.00 0.00 H new ATOM 274 N SER A 21 -11.558 6.143 -26.720 1.00 0.00 N ATOM 275 CA SER A 21 -11.723 6.006 -25.278 1.00 0.00 C ATOM 276 C SER A 21 -12.644 7.092 -24.731 1.00 0.00 C ATOM 277 O SER A 21 -13.467 6.838 -23.850 1.00 0.00 O ATOM 278 CB SER A 21 -10.364 6.074 -24.579 1.00 0.00 C ATOM 279 OG SER A 21 -10.481 5.756 -23.203 1.00 0.00 O ATOM 0 H SER A 21 -10.615 6.396 -27.014 1.00 0.00 H new ATOM 0 HA SER A 21 -12.177 5.035 -25.080 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.671 5.382 -25.057 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.944 7.074 -24.690 1.00 0.00 H new ATOM 0 HG SER A 21 -9.599 5.805 -22.780 1.00 0.00 H new ATOM 285 N ILE A 22 -12.499 8.303 -25.258 1.00 0.00 N ATOM 286 CA ILE A 22 -13.318 9.428 -24.824 1.00 0.00 C ATOM 287 C ILE A 22 -14.696 9.388 -25.475 1.00 0.00 C ATOM 288 O ILE A 22 -15.676 9.869 -24.907 1.00 0.00 O ATOM 289 CB ILE A 22 -12.646 10.774 -25.155 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.320 10.854 -26.647 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.385 10.955 -24.322 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.832 12.216 -27.088 1.00 0.00 C ATOM 0 H ILE A 22 -11.822 8.530 -25.986 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.426 9.341 -23.743 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.339 11.579 -24.911 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.559 10.110 -26.885 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.210 10.593 -27.219 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.921 11.911 -24.567 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.643 10.938 -23.263 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.687 10.147 -24.539 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.620 12.198 -28.157 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.600 12.962 -26.883 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.923 12.471 -26.543 1.00 0.00 H new ATOM 304 N GLY A 23 -14.764 8.808 -26.669 1.00 0.00 N ATOM 305 CA GLY A 23 -16.028 8.714 -27.377 1.00 0.00 C ATOM 306 C GLY A 23 -16.159 9.755 -28.471 1.00 0.00 C ATOM 307 O GLY A 23 -17.230 10.331 -28.666 1.00 0.00 O ATOM 0 H GLY A 23 -13.967 8.402 -27.159 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.124 7.720 -27.813 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.848 8.831 -26.668 1.00 0.00 H new ATOM 311 N LEU A 24 -15.067 9.998 -29.188 1.00 0.00 N ATOM 312 CA LEU A 24 -15.063 10.978 -30.268 1.00 0.00 C ATOM 313 C LEU A 24 -14.034 10.611 -31.333 1.00 0.00 C ATOM 314 O LEU A 24 -13.030 11.298 -31.523 1.00 0.00 O ATOM 315 CB LEU A 24 -14.767 12.374 -29.716 1.00 0.00 C ATOM 316 CG LEU A 24 -15.879 13.016 -28.886 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.367 14.264 -28.183 1.00 0.00 C ATOM 318 CD2 LEU A 24 -17.076 13.350 -29.764 1.00 0.00 C ATOM 0 H LEU A 24 -14.173 9.530 -29.041 1.00 0.00 H new ATOM 0 HA LEU A 24 -16.051 10.978 -30.729 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.869 12.317 -29.101 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.539 13.033 -30.553 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.199 12.301 -28.128 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.172 14.708 -27.597 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.542 13.997 -27.523 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.020 14.983 -28.925 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.857 13.806 -29.156 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.771 14.046 -30.545 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.458 12.437 -30.221 1.00 0.00 H new ATOM 330 N PRO A 25 -14.289 9.504 -32.045 1.00 0.00 N ATOM 331 CA PRO A 25 -13.398 9.022 -33.105 1.00 0.00 C ATOM 332 C PRO A 25 -13.409 9.931 -34.330 1.00 0.00 C ATOM 333 O PRO A 25 -12.500 9.883 -35.157 1.00 0.00 O ATOM 334 CB PRO A 25 -13.973 7.647 -33.455 1.00 0.00 C ATOM 335 CG PRO A 25 -15.410 7.729 -33.069 1.00 0.00 C ATOM 336 CD PRO A 25 -15.467 8.637 -31.872 1.00 0.00 C ATOM 0 HA PRO A 25 -12.358 8.994 -32.781 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.860 7.429 -34.517 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.461 6.853 -32.911 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.012 8.124 -33.887 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.806 6.742 -32.829 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.391 9.215 -31.849 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.419 8.075 -30.939 1.00 0.00 H new ATOM 344 N GLN A 26 -14.444 10.759 -34.437 1.00 0.00 N ATOM 345 CA GLN A 26 -14.572 11.678 -35.561 1.00 0.00 C ATOM 346 C GLN A 26 -13.408 12.663 -35.594 1.00 0.00 C ATOM 347 O GLN A 26 -13.141 13.291 -36.620 1.00 0.00 O ATOM 348 CB GLN A 26 -15.897 12.439 -35.477 1.00 0.00 C ATOM 349 CG GLN A 26 -16.083 13.193 -34.170 1.00 0.00 C ATOM 350 CD GLN A 26 -17.370 12.820 -33.460 1.00 0.00 C ATOM 351 OE1 GLN A 26 -17.495 11.725 -32.912 1.00 0.00 O ATOM 352 NE2 GLN A 26 -18.335 13.732 -33.467 1.00 0.00 N ATOM 0 H GLN A 26 -15.205 10.812 -33.760 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.555 11.092 -36.480 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -15.954 13.145 -36.306 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.720 11.735 -35.601 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.238 12.988 -33.513 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.080 14.265 -34.369 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -18.188 14.627 -33.934 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -19.224 13.538 -33.006 1.00 0.00 H new ATOM 361 N TYR A 27 -12.719 12.795 -34.466 1.00 0.00 N ATOM 362 CA TYR A 27 -11.585 13.706 -34.365 1.00 0.00 C ATOM 363 C TYR A 27 -10.274 12.976 -34.641 1.00 0.00 C ATOM 364 O TYR A 27 -9.262 13.227 -33.986 1.00 0.00 O ATOM 365 CB TYR A 27 -11.542 14.349 -32.978 1.00 0.00 C ATOM 366 CG TYR A 27 -12.748 15.208 -32.671 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.274 16.068 -33.627 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.361 15.159 -31.426 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.374 16.856 -33.351 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.463 15.942 -31.141 1.00 0.00 C ATOM 371 CZ TYR A 27 -14.966 16.789 -32.106 1.00 0.00 C ATOM 372 OH TYR A 27 -16.064 17.570 -31.828 1.00 0.00 O ATOM 0 H TYR A 27 -12.926 12.283 -33.609 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.710 14.486 -35.116 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.464 13.564 -32.225 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.642 14.959 -32.897 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.815 16.121 -34.603 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.970 14.497 -30.667 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.769 17.521 -34.105 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -14.928 15.891 -30.168 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.696 17.062 -31.278 1.00 0.00 H new ATOM 382 N GLU A 28 -10.300 12.072 -35.615 1.00 0.00 N ATOM 383 CA GLU A 28 -9.114 11.306 -35.978 1.00 0.00 C ATOM 384 C GLU A 28 -8.270 12.061 -37.000 1.00 0.00 C ATOM 385 O GLU A 28 -7.121 12.412 -36.734 1.00 0.00 O ATOM 386 CB GLU A 28 -9.515 9.940 -36.540 1.00 0.00 C ATOM 387 CG GLU A 28 -8.423 8.889 -36.422 1.00 0.00 C ATOM 388 CD GLU A 28 -8.422 7.916 -37.585 1.00 0.00 C ATOM 389 OE1 GLU A 28 -9.518 7.599 -38.093 1.00 0.00 O ATOM 390 OE2 GLU A 28 -7.326 7.472 -37.986 1.00 0.00 O ATOM 0 H GLU A 28 -11.129 11.852 -36.167 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.517 11.160 -35.078 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.404 9.588 -36.017 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.786 10.054 -37.590 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.453 9.383 -36.366 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.554 8.337 -35.491 1.00 0.00 H new ATOM 397 N ASN A 29 -8.848 12.306 -38.171 1.00 0.00 N ATOM 398 CA ASN A 29 -8.149 13.019 -39.235 1.00 0.00 C ATOM 399 C ASN A 29 -7.747 14.418 -38.779 1.00 0.00 C ATOM 400 O ASN A 29 -6.763 14.981 -39.259 1.00 0.00 O ATOM 401 CB ASN A 29 -9.031 13.110 -40.481 1.00 0.00 C ATOM 402 CG ASN A 29 -8.239 13.460 -41.726 1.00 0.00 C ATOM 403 OD1 ASN A 29 -7.009 13.397 -41.731 1.00 0.00 O ATOM 404 ND2 ASN A 29 -8.942 13.830 -42.790 1.00 0.00 N ATOM 0 H ASN A 29 -9.799 12.022 -38.408 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.244 12.462 -39.479 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.540 12.158 -40.633 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.804 13.862 -40.322 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.464 14.076 -43.657 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.960 13.868 -42.741 1.00 0.00 H new ATOM 411 N HIS A 30 -8.516 14.975 -37.848 1.00 0.00 N ATOM 412 CA HIS A 30 -8.239 16.308 -37.325 1.00 0.00 C ATOM 413 C HIS A 30 -6.813 16.398 -36.792 1.00 0.00 C ATOM 414 O HIS A 30 -5.956 17.053 -37.386 1.00 0.00 O ATOM 415 CB HIS A 30 -9.234 16.662 -36.219 1.00 0.00 C ATOM 416 CG HIS A 30 -10.416 17.443 -36.703 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.541 16.851 -37.239 1.00 0.00 N ATOM 418 CD2 HIS A 30 -10.646 18.776 -36.729 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.410 17.787 -37.575 1.00 0.00 C ATOM 420 NE2 HIS A 30 -11.892 18.964 -37.275 1.00 0.00 N ATOM 0 H HIS A 30 -9.335 14.524 -37.441 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.347 17.021 -38.142 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.584 15.743 -35.749 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.719 17.237 -35.449 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.975 19.549 -36.384 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.380 17.618 -38.020 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.344 19.866 -37.424 1.00 0.00 H new ATOM 428 N LEU A 31 -6.565 15.736 -35.667 1.00 0.00 N ATOM 429 CA LEU A 31 -5.242 15.742 -35.052 1.00 0.00 C ATOM 430 C LEU A 31 -4.183 15.252 -36.034 1.00 0.00 C ATOM 431 O LEU A 31 -3.138 15.882 -36.201 1.00 0.00 O ATOM 432 CB LEU A 31 -5.237 14.863 -33.799 1.00 0.00 C ATOM 433 CG LEU A 31 -6.189 15.285 -32.680 1.00 0.00 C ATOM 434 CD1 LEU A 31 -7.054 14.112 -32.246 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.410 15.842 -31.498 1.00 0.00 C ATOM 0 H LEU A 31 -7.262 15.189 -35.162 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.004 16.768 -34.771 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.484 13.843 -34.094 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.224 14.842 -33.398 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.842 16.071 -33.061 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.726 14.431 -31.449 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.640 13.758 -33.094 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.417 13.305 -31.883 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.104 16.137 -30.711 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.732 15.078 -31.116 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.834 16.710 -31.818 1.00 0.00 H new ATOM 447 N MET A 32 -4.461 14.127 -36.684 1.00 0.00 N ATOM 448 CA MET A 32 -3.533 13.555 -37.654 1.00 0.00 C ATOM 449 C MET A 32 -3.168 14.578 -38.725 1.00 0.00 C ATOM 450 O MET A 32 -2.085 14.521 -39.306 1.00 0.00 O ATOM 451 CB MET A 32 -4.144 12.313 -38.305 1.00 0.00 C ATOM 452 CG MET A 32 -4.230 11.117 -37.371 1.00 0.00 C ATOM 453 SD MET A 32 -3.704 9.582 -38.157 1.00 0.00 S ATOM 454 CE MET A 32 -2.825 8.796 -36.810 1.00 0.00 C ATOM 0 H MET A 32 -5.321 13.593 -36.557 1.00 0.00 H new ATOM 0 HA MET A 32 -2.624 13.269 -37.125 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.144 12.556 -38.664 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.550 12.040 -39.177 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.611 11.302 -36.493 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.256 11.008 -37.020 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.438 7.832 -37.141 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.997 9.431 -36.496 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.504 8.645 -35.971 1.00 0.00 H new ATOM 464 N ALA A 33 -4.078 15.512 -38.981 1.00 0.00 N ATOM 465 CA ALA A 33 -3.850 16.548 -39.980 1.00 0.00 C ATOM 466 C ALA A 33 -3.053 17.709 -39.396 1.00 0.00 C ATOM 467 O ALA A 33 -2.364 18.427 -40.119 1.00 0.00 O ATOM 468 CB ALA A 33 -5.176 17.043 -40.539 1.00 0.00 C ATOM 0 H ALA A 33 -4.981 15.572 -38.510 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.266 16.113 -40.791 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.991 17.817 -41.284 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.708 16.212 -41.003 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.780 17.455 -39.731 1.00 0.00 H new ATOM 474 N ASN A 34 -3.152 17.887 -38.083 1.00 0.00 N ATOM 475 CA ASN A 34 -2.440 18.962 -37.402 1.00 0.00 C ATOM 476 C ASN A 34 -1.123 18.460 -36.819 1.00 0.00 C ATOM 477 O ASN A 34 -0.638 18.978 -35.815 1.00 0.00 O ATOM 478 CB ASN A 34 -3.310 19.553 -36.290 1.00 0.00 C ATOM 479 CG ASN A 34 -4.408 20.448 -36.829 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.207 21.647 -37.026 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.579 19.869 -37.070 1.00 0.00 N ATOM 0 H ASN A 34 -3.718 17.301 -37.469 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.219 19.738 -38.135 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.756 18.743 -35.712 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.682 20.124 -35.606 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.356 20.421 -37.433 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.701 18.872 -36.892 1.00 0.00 H new ATOM 488 N GLY A 35 -0.548 17.445 -37.459 1.00 0.00 N ATOM 489 CA GLY A 35 0.708 16.890 -36.991 1.00 0.00 C ATOM 490 C GLY A 35 0.635 16.424 -35.550 1.00 0.00 C ATOM 491 O GLY A 35 1.490 16.769 -34.734 1.00 0.00 O ATOM 0 H GLY A 35 -0.930 16.998 -38.293 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.990 16.051 -37.627 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.492 17.641 -37.087 1.00 0.00 H new ATOM 495 N PHE A 36 -0.389 15.639 -35.235 1.00 0.00 N ATOM 496 CA PHE A 36 -0.573 15.127 -33.882 1.00 0.00 C ATOM 497 C PHE A 36 -0.738 13.611 -33.891 1.00 0.00 C ATOM 498 O PHE A 36 -1.829 13.093 -33.650 1.00 0.00 O ATOM 499 CB PHE A 36 -1.792 15.781 -33.227 1.00 0.00 C ATOM 500 CG PHE A 36 -1.493 17.109 -32.594 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.757 17.183 -31.422 1.00 0.00 C ATOM 502 CD2 PHE A 36 -1.947 18.284 -33.171 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.480 18.404 -30.837 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.672 19.508 -32.590 1.00 0.00 C ATOM 505 CZ PHE A 36 -0.939 19.568 -31.421 1.00 0.00 C ATOM 0 H PHE A 36 -1.105 15.343 -35.899 1.00 0.00 H new ATOM 0 HA PHE A 36 0.317 15.374 -33.304 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.571 15.913 -33.978 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.192 15.108 -32.468 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.396 16.276 -30.960 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.522 18.243 -34.084 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.095 18.448 -29.924 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.030 20.417 -33.050 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.725 20.523 -30.965 1.00 0.00 H new ATOM 515 N ASP A 37 0.352 12.905 -34.171 1.00 0.00 N ATOM 516 CA ASP A 37 0.329 11.447 -34.212 1.00 0.00 C ATOM 517 C ASP A 37 0.775 10.859 -32.877 1.00 0.00 C ATOM 518 O ASP A 37 0.354 9.767 -32.498 1.00 0.00 O ATOM 519 CB ASP A 37 1.230 10.933 -35.336 1.00 0.00 C ATOM 520 CG ASP A 37 2.699 11.184 -35.061 1.00 0.00 C ATOM 521 OD1 ASP A 37 3.075 12.359 -34.867 1.00 0.00 O ATOM 522 OD2 ASP A 37 3.474 10.204 -35.038 1.00 0.00 O ATOM 0 H ASP A 37 1.262 13.318 -34.373 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.696 11.130 -34.404 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.066 9.864 -35.469 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.951 11.417 -36.272 1.00 0.00 H new ATOM 527 N ASN A 38 1.629 11.591 -32.170 1.00 0.00 N ATOM 528 CA ASN A 38 2.134 11.141 -30.878 1.00 0.00 C ATOM 529 C ASN A 38 1.062 11.271 -29.800 1.00 0.00 C ATOM 530 O ASN A 38 0.039 11.926 -30.002 1.00 0.00 O ATOM 531 CB ASN A 38 3.372 11.947 -30.481 1.00 0.00 C ATOM 532 CG ASN A 38 3.171 13.440 -30.659 1.00 0.00 C ATOM 533 OD1 ASN A 38 2.099 13.972 -30.371 1.00 0.00 O ATOM 534 ND2 ASN A 38 4.204 14.123 -31.138 1.00 0.00 N ATOM 0 H ASN A 38 1.986 12.498 -32.470 1.00 0.00 H new ATOM 0 HA ASN A 38 2.407 10.090 -30.969 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.620 11.738 -29.440 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.221 11.623 -31.082 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.127 15.130 -31.281 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.074 13.641 -31.363 1.00 0.00 H new ATOM 541 N VAL A 39 1.303 10.642 -28.654 1.00 0.00 N ATOM 542 CA VAL A 39 0.359 10.688 -27.543 1.00 0.00 C ATOM 543 C VAL A 39 1.010 11.270 -26.293 1.00 0.00 C ATOM 544 O VAL A 39 0.438 12.133 -25.628 1.00 0.00 O ATOM 545 CB VAL A 39 -0.193 9.288 -27.217 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.317 9.381 -26.197 1.00 0.00 C ATOM 547 CG2 VAL A 39 -0.669 8.595 -28.485 1.00 0.00 C ATOM 0 H VAL A 39 2.144 10.095 -28.470 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.464 11.331 -27.853 1.00 0.00 H new ATOM 0 HB VAL A 39 0.610 8.692 -26.784 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.694 8.382 -25.979 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.940 9.834 -25.280 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.124 9.994 -26.599 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.056 7.607 -28.236 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.458 9.187 -28.949 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.165 8.494 -29.179 1.00 0.00 H new ATOM 557 N GLN A 40 2.210 10.790 -25.980 1.00 0.00 N ATOM 558 CA GLN A 40 2.939 11.263 -24.809 1.00 0.00 C ATOM 559 C GLN A 40 3.109 12.778 -24.848 1.00 0.00 C ATOM 560 O GLN A 40 3.204 13.430 -23.808 1.00 0.00 O ATOM 561 CB GLN A 40 4.308 10.586 -24.726 1.00 0.00 C ATOM 562 CG GLN A 40 4.232 9.073 -24.605 1.00 0.00 C ATOM 563 CD GLN A 40 5.406 8.488 -23.845 1.00 0.00 C ATOM 564 OE1 GLN A 40 5.228 7.772 -22.859 1.00 0.00 O ATOM 565 NE2 GLN A 40 6.616 8.792 -24.300 1.00 0.00 N ATOM 0 H GLN A 40 2.697 10.075 -26.520 1.00 0.00 H new ATOM 0 HA GLN A 40 2.359 11.004 -23.923 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.885 10.843 -25.614 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.849 10.984 -23.868 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.305 8.799 -24.101 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.195 8.634 -25.602 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.717 9.389 -25.121 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.444 8.428 -23.829 1.00 0.00 H new ATOM 574 N PHE A 41 3.147 13.333 -26.055 1.00 0.00 N ATOM 575 CA PHE A 41 3.307 14.772 -26.230 1.00 0.00 C ATOM 576 C PHE A 41 2.045 15.515 -25.804 1.00 0.00 C ATOM 577 O PHE A 41 2.101 16.682 -25.417 1.00 0.00 O ATOM 578 CB PHE A 41 3.636 15.096 -27.689 1.00 0.00 C ATOM 579 CG PHE A 41 5.109 15.171 -27.970 1.00 0.00 C ATOM 580 CD1 PHE A 41 5.823 16.325 -27.690 1.00 0.00 C ATOM 581 CD2 PHE A 41 5.781 14.088 -28.513 1.00 0.00 C ATOM 582 CE1 PHE A 41 7.179 16.398 -27.947 1.00 0.00 C ATOM 583 CE2 PHE A 41 7.137 14.155 -28.772 1.00 0.00 C ATOM 584 CZ PHE A 41 7.837 15.312 -28.489 1.00 0.00 C ATOM 0 H PHE A 41 3.069 12.808 -26.926 1.00 0.00 H new ATOM 0 HA PHE A 41 4.132 15.101 -25.597 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.190 14.336 -28.331 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.175 16.047 -27.954 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.314 17.178 -27.266 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.239 13.181 -28.736 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.723 17.304 -27.724 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.649 13.304 -29.195 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.896 15.367 -28.691 1.00 0.00 H new ATOM 594 N MET A 42 0.908 14.831 -25.879 1.00 0.00 N ATOM 595 CA MET A 42 -0.368 15.426 -25.500 1.00 0.00 C ATOM 596 C MET A 42 -0.289 16.041 -24.106 1.00 0.00 C ATOM 597 O MET A 42 -0.655 17.198 -23.906 1.00 0.00 O ATOM 598 CB MET A 42 -1.478 14.375 -25.543 1.00 0.00 C ATOM 599 CG MET A 42 -1.729 13.812 -26.933 1.00 0.00 C ATOM 600 SD MET A 42 -3.424 14.069 -27.491 1.00 0.00 S ATOM 601 CE MET A 42 -3.291 13.587 -29.211 1.00 0.00 C ATOM 0 H MET A 42 0.844 13.864 -26.199 1.00 0.00 H new ATOM 0 HA MET A 42 -0.598 16.217 -26.214 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.219 13.557 -24.870 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.401 14.817 -25.167 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.043 14.280 -27.639 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.508 12.745 -26.934 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.214 13.099 -29.525 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.121 14.472 -29.825 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.457 12.896 -29.332 1.00 0.00 H new ATOM 611 N GLY A 43 0.193 15.259 -23.145 1.00 0.00 N ATOM 612 CA GLY A 43 0.311 15.744 -21.783 1.00 0.00 C ATOM 613 C GLY A 43 1.236 16.940 -21.671 1.00 0.00 C ATOM 614 O GLY A 43 1.155 17.709 -20.713 1.00 0.00 O ATOM 0 H GLY A 43 0.504 14.298 -23.286 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.677 16.016 -21.411 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.682 14.941 -21.146 1.00 0.00 H new ATOM 618 N SER A 44 2.118 17.097 -22.652 1.00 0.00 N ATOM 619 CA SER A 44 3.067 18.205 -22.658 1.00 0.00 C ATOM 620 C SER A 44 2.352 19.531 -22.899 1.00 0.00 C ATOM 621 O SER A 44 1.124 19.600 -22.873 1.00 0.00 O ATOM 622 CB SER A 44 4.134 17.985 -23.732 1.00 0.00 C ATOM 623 OG SER A 44 3.772 18.617 -24.947 1.00 0.00 O ATOM 0 H SER A 44 2.196 16.471 -23.454 1.00 0.00 H new ATOM 0 HA SER A 44 3.548 18.244 -21.681 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.090 18.377 -23.385 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.270 16.917 -23.901 1.00 0.00 H new ATOM 0 HG SER A 44 3.356 17.962 -25.545 1.00 0.00 H new ATOM 629 N ASN A 45 3.131 20.582 -23.133 1.00 0.00 N ATOM 630 CA ASN A 45 2.573 21.907 -23.379 1.00 0.00 C ATOM 631 C ASN A 45 2.093 22.036 -24.821 1.00 0.00 C ATOM 632 O ASN A 45 2.603 22.856 -25.586 1.00 0.00 O ATOM 633 CB ASN A 45 3.616 22.985 -23.078 1.00 0.00 C ATOM 634 CG ASN A 45 4.962 22.680 -23.706 1.00 0.00 C ATOM 635 OD1 ASN A 45 5.281 23.175 -24.787 1.00 0.00 O ATOM 636 ND2 ASN A 45 5.758 21.860 -23.030 1.00 0.00 N ATOM 0 H ASN A 45 4.150 20.542 -23.157 1.00 0.00 H new ATOM 0 HA ASN A 45 1.718 22.043 -22.717 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.257 23.946 -23.445 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.735 23.080 -21.999 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.676 21.617 -23.403 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.452 21.473 -22.137 1.00 0.00 H new ATOM 643 N VAL A 46 1.109 21.222 -25.187 1.00 0.00 N ATOM 644 CA VAL A 46 0.558 21.246 -26.537 1.00 0.00 C ATOM 645 C VAL A 46 -0.850 20.661 -26.566 1.00 0.00 C ATOM 646 O VAL A 46 -1.200 19.819 -25.741 1.00 0.00 O ATOM 647 CB VAL A 46 1.448 20.463 -27.520 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.422 18.977 -27.197 1.00 0.00 C ATOM 649 CG2 VAL A 46 1.005 20.713 -28.954 1.00 0.00 C ATOM 0 H VAL A 46 0.676 20.537 -24.567 1.00 0.00 H new ATOM 0 HA VAL A 46 0.521 22.291 -26.846 1.00 0.00 H new ATOM 0 HB VAL A 46 2.474 20.815 -27.414 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.057 18.440 -27.902 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.791 18.818 -26.184 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.400 18.606 -27.273 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.645 20.152 -29.635 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.029 20.389 -29.077 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.081 21.777 -29.178 1.00 0.00 H new ATOM 659 N MET A 47 -1.653 21.114 -27.524 1.00 0.00 N ATOM 660 CA MET A 47 -3.023 20.634 -27.662 1.00 0.00 C ATOM 661 C MET A 47 -3.854 21.002 -26.437 1.00 0.00 C ATOM 662 O MET A 47 -4.403 20.130 -25.765 1.00 0.00 O ATOM 663 CB MET A 47 -3.037 19.118 -27.866 1.00 0.00 C ATOM 664 CG MET A 47 -4.340 18.595 -28.447 1.00 0.00 C ATOM 665 SD MET A 47 -4.459 18.850 -30.228 1.00 0.00 S ATOM 666 CE MET A 47 -6.023 19.716 -30.342 1.00 0.00 C ATOM 0 H MET A 47 -1.379 21.812 -28.215 1.00 0.00 H new ATOM 0 HA MET A 47 -3.464 21.115 -28.535 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.217 18.841 -28.528 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.853 18.629 -26.909 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.429 17.531 -28.230 1.00 0.00 H new ATOM 0 HG3 MET A 47 -5.177 19.091 -27.956 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.952 20.498 -31.098 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.809 19.013 -30.619 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.262 20.165 -29.378 1.00 0.00 H new ATOM 676 N GLU A 48 -3.942 22.298 -26.154 1.00 0.00 N ATOM 677 CA GLU A 48 -4.705 22.779 -25.009 1.00 0.00 C ATOM 678 C GLU A 48 -6.096 23.240 -25.437 1.00 0.00 C ATOM 679 O GLU A 48 -6.474 23.108 -26.602 1.00 0.00 O ATOM 680 CB GLU A 48 -3.965 23.928 -24.321 1.00 0.00 C ATOM 681 CG GLU A 48 -2.520 23.603 -23.981 1.00 0.00 C ATOM 682 CD GLU A 48 -1.876 24.659 -23.103 1.00 0.00 C ATOM 683 OE1 GLU A 48 -2.256 25.842 -23.222 1.00 0.00 O ATOM 684 OE2 GLU A 48 -0.992 24.300 -22.297 1.00 0.00 O ATOM 0 H GLU A 48 -3.494 23.033 -26.702 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.815 21.954 -24.305 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.989 24.804 -24.969 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.494 24.194 -23.406 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.478 22.639 -23.474 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.947 23.504 -24.903 1.00 0.00 H new ATOM 691 N ASP A 49 -6.852 23.780 -24.488 1.00 0.00 N ATOM 692 CA ASP A 49 -8.200 24.261 -24.765 1.00 0.00 C ATOM 693 C ASP A 49 -8.204 25.211 -25.959 1.00 0.00 C ATOM 694 O ASP A 49 -9.182 25.285 -26.701 1.00 0.00 O ATOM 695 CB ASP A 49 -8.777 24.964 -23.536 1.00 0.00 C ATOM 696 CG ASP A 49 -10.286 25.099 -23.600 1.00 0.00 C ATOM 697 OD1 ASP A 49 -10.844 24.990 -24.712 1.00 0.00 O ATOM 698 OD2 ASP A 49 -10.908 25.313 -22.539 1.00 0.00 O ATOM 0 H ASP A 49 -6.554 23.896 -23.519 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.823 23.400 -25.007 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.503 24.407 -22.640 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.330 25.954 -23.444 1.00 0.00 H new ATOM 703 N GLN A 50 -7.103 25.934 -26.136 1.00 0.00 N ATOM 704 CA GLN A 50 -6.981 26.881 -27.238 1.00 0.00 C ATOM 705 C GLN A 50 -6.611 26.164 -28.533 1.00 0.00 C ATOM 706 O GLN A 50 -7.210 26.407 -29.581 1.00 0.00 O ATOM 707 CB GLN A 50 -5.929 27.943 -26.912 1.00 0.00 C ATOM 708 CG GLN A 50 -6.510 29.334 -26.716 1.00 0.00 C ATOM 709 CD GLN A 50 -7.311 29.806 -27.913 1.00 0.00 C ATOM 710 OE1 GLN A 50 -6.765 30.018 -28.996 1.00 0.00 O ATOM 711 NE2 GLN A 50 -8.615 29.972 -27.725 1.00 0.00 N ATOM 0 H GLN A 50 -6.283 25.882 -25.531 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.947 27.366 -27.375 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.397 27.650 -26.007 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.195 27.975 -27.717 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.149 29.336 -25.833 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.700 30.038 -26.525 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.026 29.785 -26.811 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.205 30.287 -28.495 1.00 0.00 H new ATOM 720 N ASP A 51 -5.622 25.281 -28.452 1.00 0.00 N ATOM 721 CA ASP A 51 -5.174 24.527 -29.618 1.00 0.00 C ATOM 722 C ASP A 51 -6.326 23.738 -30.231 1.00 0.00 C ATOM 723 O ASP A 51 -6.405 23.580 -31.450 1.00 0.00 O ATOM 724 CB ASP A 51 -4.038 23.579 -29.232 1.00 0.00 C ATOM 725 CG ASP A 51 -2.840 24.312 -28.660 1.00 0.00 C ATOM 726 OD1 ASP A 51 -2.881 24.674 -27.465 1.00 0.00 O ATOM 727 OD2 ASP A 51 -1.862 24.523 -29.406 1.00 0.00 O ATOM 0 H ASP A 51 -5.115 25.070 -27.592 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.809 25.236 -30.361 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.403 22.859 -28.500 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.728 23.012 -30.110 1.00 0.00 H new ATOM 732 N LEU A 52 -7.217 23.244 -29.379 1.00 0.00 N ATOM 733 CA LEU A 52 -8.366 22.469 -29.837 1.00 0.00 C ATOM 734 C LEU A 52 -9.299 23.328 -30.684 1.00 0.00 C ATOM 735 O LEU A 52 -10.028 22.818 -31.536 1.00 0.00 O ATOM 736 CB LEU A 52 -9.127 21.894 -28.642 1.00 0.00 C ATOM 737 CG LEU A 52 -8.415 20.789 -27.860 1.00 0.00 C ATOM 738 CD1 LEU A 52 -8.890 20.766 -26.416 1.00 0.00 C ATOM 739 CD2 LEU A 52 -8.643 19.438 -28.521 1.00 0.00 C ATOM 0 H LEU A 52 -7.167 23.366 -28.368 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.998 21.649 -30.454 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.354 22.709 -27.955 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.080 21.503 -28.998 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.345 20.997 -27.865 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.373 19.974 -25.875 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.675 21.726 -25.947 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.964 20.582 -26.389 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.130 18.663 -27.952 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.711 19.221 -28.547 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.252 19.460 -29.538 1.00 0.00 H new ATOM 751 N LEU A 53 -9.271 24.635 -30.446 1.00 0.00 N ATOM 752 CA LEU A 53 -10.113 25.566 -31.189 1.00 0.00 C ATOM 753 C LEU A 53 -9.459 25.957 -32.510 1.00 0.00 C ATOM 754 O LEU A 53 -10.141 26.325 -33.466 1.00 0.00 O ATOM 755 CB LEU A 53 -10.385 26.817 -30.351 1.00 0.00 C ATOM 756 CG LEU A 53 -11.103 27.961 -31.068 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.487 27.523 -31.520 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.196 29.182 -30.164 1.00 0.00 C ATOM 0 H LEU A 53 -8.674 25.074 -29.745 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.058 25.069 -31.407 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.980 26.528 -29.485 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.433 27.191 -29.974 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.524 28.231 -31.951 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.983 28.350 -32.028 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.396 26.679 -32.204 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.076 27.225 -30.652 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.710 29.986 -30.691 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.752 28.926 -29.262 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.193 29.510 -29.891 1.00 0.00 H new ATOM 770 N GLU A 54 -8.133 25.873 -32.556 1.00 0.00 N ATOM 771 CA GLU A 54 -7.388 26.217 -33.761 1.00 0.00 C ATOM 772 C GLU A 54 -7.412 25.066 -34.763 1.00 0.00 C ATOM 773 O GLU A 54 -7.581 25.279 -35.964 1.00 0.00 O ATOM 774 CB GLU A 54 -5.941 26.570 -33.409 1.00 0.00 C ATOM 775 CG GLU A 54 -5.815 27.489 -32.205 1.00 0.00 C ATOM 776 CD GLU A 54 -4.947 28.700 -32.484 1.00 0.00 C ATOM 777 OE1 GLU A 54 -5.490 29.726 -32.944 1.00 0.00 O ATOM 778 OE2 GLU A 54 -3.724 28.622 -32.242 1.00 0.00 O ATOM 0 H GLU A 54 -7.553 25.570 -31.773 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.866 27.084 -34.218 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.389 25.651 -33.213 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.472 27.046 -34.270 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.808 27.821 -31.900 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.395 26.930 -31.369 1.00 0.00 H new ATOM 785 N ILE A 55 -7.241 23.848 -34.260 1.00 0.00 N ATOM 786 CA ILE A 55 -7.244 22.664 -35.111 1.00 0.00 C ATOM 787 C ILE A 55 -8.530 22.575 -35.925 1.00 0.00 C ATOM 788 O ILE A 55 -8.559 21.969 -36.995 1.00 0.00 O ATOM 789 CB ILE A 55 -7.084 21.376 -34.282 1.00 0.00 C ATOM 790 CG1 ILE A 55 -8.163 21.302 -33.199 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.697 21.314 -33.660 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.303 19.930 -32.578 1.00 0.00 C ATOM 0 H ILE A 55 -7.099 23.655 -33.269 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.395 22.759 -35.788 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.202 20.519 -34.945 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.931 22.024 -32.416 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.120 21.596 -33.630 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.600 20.398 -33.077 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.944 21.324 -34.448 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.552 22.175 -33.008 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.085 19.952 -31.819 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.566 19.206 -33.350 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.359 19.641 -32.117 1.00 0.00 H new ATOM 804 N GLY A 56 -9.593 23.186 -35.411 1.00 0.00 N ATOM 805 CA GLY A 56 -10.868 23.165 -36.104 1.00 0.00 C ATOM 806 C GLY A 56 -12.032 22.897 -35.171 1.00 0.00 C ATOM 807 O GLY A 56 -13.086 23.522 -35.287 1.00 0.00 O ATOM 0 H GLY A 56 -9.594 23.695 -34.527 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.021 24.121 -36.605 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.844 22.399 -36.879 1.00 0.00 H new ATOM 811 N ILE A 57 -11.841 21.965 -34.244 1.00 0.00 N ATOM 812 CA ILE A 57 -12.884 21.615 -33.287 1.00 0.00 C ATOM 813 C ILE A 57 -13.430 22.857 -32.591 1.00 0.00 C ATOM 814 O ILE A 57 -12.707 23.547 -31.871 1.00 0.00 O ATOM 815 CB ILE A 57 -12.365 20.630 -32.223 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.840 19.356 -32.889 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.465 20.298 -31.226 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.110 18.434 -31.937 1.00 0.00 C ATOM 0 H ILE A 57 -10.974 21.439 -34.135 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.684 21.137 -33.853 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.543 21.101 -31.684 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.676 18.817 -33.334 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.169 19.631 -33.702 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.082 19.601 -30.481 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.796 21.211 -30.732 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.306 19.843 -31.750 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.766 17.552 -32.477 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.253 18.956 -31.510 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.784 18.129 -31.137 1.00 0.00 H new ATOM 830 N LEU A 58 -14.711 23.135 -32.808 1.00 0.00 N ATOM 831 CA LEU A 58 -15.356 24.293 -32.200 1.00 0.00 C ATOM 832 C LEU A 58 -16.303 23.865 -31.083 1.00 0.00 C ATOM 833 O LEU A 58 -16.553 24.620 -30.144 1.00 0.00 O ATOM 834 CB LEU A 58 -16.123 25.088 -33.257 1.00 0.00 C ATOM 835 CG LEU A 58 -15.361 25.400 -34.546 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.192 26.294 -35.454 1.00 0.00 C ATOM 837 CD2 LEU A 58 -14.024 26.054 -34.230 1.00 0.00 C ATOM 0 H LEU A 58 -15.323 22.574 -33.400 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.580 24.926 -31.771 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.025 24.533 -33.517 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.445 26.029 -32.812 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.170 24.463 -35.069 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.634 26.505 -36.366 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.124 25.789 -35.708 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.414 27.229 -34.940 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.496 26.269 -35.159 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.193 26.983 -33.685 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.424 25.379 -33.619 1.00 0.00 H new ATOM 849 N ASN A 59 -16.826 22.648 -31.192 1.00 0.00 N ATOM 850 CA ASN A 59 -17.745 22.118 -30.190 1.00 0.00 C ATOM 851 C ASN A 59 -17.153 22.244 -28.789 1.00 0.00 C ATOM 852 O ASN A 59 -16.267 21.480 -28.407 1.00 0.00 O ATOM 853 CB ASN A 59 -18.069 20.653 -30.489 1.00 0.00 C ATOM 854 CG ASN A 59 -19.312 20.499 -31.344 1.00 0.00 C ATOM 855 OD1 ASN A 59 -20.432 20.685 -30.868 1.00 0.00 O ATOM 856 ND2 ASN A 59 -19.120 20.157 -32.612 1.00 0.00 N ATOM 0 H ASN A 59 -16.630 22.010 -31.963 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.664 22.702 -30.231 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.222 20.193 -30.998 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.208 20.116 -29.551 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -19.919 20.038 -33.235 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -18.173 20.013 -32.964 1.00 0.00 H new ATOM 863 N SER A 60 -17.651 23.214 -28.028 1.00 0.00 N ATOM 864 CA SER A 60 -17.170 23.442 -26.670 1.00 0.00 C ATOM 865 C SER A 60 -17.412 22.216 -25.795 1.00 0.00 C ATOM 866 O SER A 60 -16.518 21.763 -25.081 1.00 0.00 O ATOM 867 CB SER A 60 -17.861 24.663 -26.061 1.00 0.00 C ATOM 868 OG SER A 60 -16.923 25.679 -25.751 1.00 0.00 O ATOM 0 H SER A 60 -18.386 23.854 -28.328 1.00 0.00 H new ATOM 0 HA SER A 60 -16.097 23.627 -26.716 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.604 25.050 -26.759 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.395 24.369 -25.158 1.00 0.00 H new ATOM 0 HG SER A 60 -17.390 26.449 -25.365 1.00 0.00 H new ATOM 874 N GLY A 61 -18.629 21.685 -25.855 1.00 0.00 N ATOM 875 CA GLY A 61 -18.968 20.517 -25.063 1.00 0.00 C ATOM 876 C GLY A 61 -17.987 19.378 -25.259 1.00 0.00 C ATOM 877 O GLY A 61 -17.728 18.606 -24.336 1.00 0.00 O ATOM 0 H GLY A 61 -19.386 22.042 -26.438 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.994 20.792 -24.009 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.970 20.180 -25.329 1.00 0.00 H new ATOM 881 N HIS A 62 -17.440 19.272 -26.466 1.00 0.00 N ATOM 882 CA HIS A 62 -16.482 18.218 -26.781 1.00 0.00 C ATOM 883 C HIS A 62 -15.067 18.637 -26.395 1.00 0.00 C ATOM 884 O HIS A 62 -14.279 17.825 -25.910 1.00 0.00 O ATOM 885 CB HIS A 62 -16.537 17.878 -28.271 1.00 0.00 C ATOM 886 CG HIS A 62 -17.788 17.161 -28.676 1.00 0.00 C ATOM 887 ND1 HIS A 62 -18.052 16.784 -29.976 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.850 16.752 -27.944 1.00 0.00 C ATOM 889 CE1 HIS A 62 -19.223 16.175 -30.026 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.728 16.142 -28.806 1.00 0.00 N ATOM 0 H HIS A 62 -17.644 19.903 -27.241 1.00 0.00 H new ATOM 0 HA HIS A 62 -16.750 17.333 -26.204 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.452 18.798 -28.849 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.676 17.261 -28.527 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.982 16.881 -26.880 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.688 15.772 -30.914 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.624 15.730 -28.546 1.00 0.00 H new ATOM 898 N ARG A 63 -14.752 19.910 -26.613 1.00 0.00 N ATOM 899 CA ARG A 63 -13.431 20.436 -26.290 1.00 0.00 C ATOM 900 C ARG A 63 -13.059 20.120 -24.844 1.00 0.00 C ATOM 901 O ARG A 63 -11.923 19.746 -24.553 1.00 0.00 O ATOM 902 CB ARG A 63 -13.390 21.948 -26.520 1.00 0.00 C ATOM 903 CG ARG A 63 -13.085 22.337 -27.957 1.00 0.00 C ATOM 904 CD ARG A 63 -12.151 23.534 -28.024 1.00 0.00 C ATOM 905 NE ARG A 63 -12.703 24.699 -27.337 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.599 25.516 -27.880 1.00 0.00 C ATOM 907 NH1 ARG A 63 -14.040 25.297 -29.110 1.00 0.00 N ATOM 908 NH2 ARG A 63 -14.054 26.555 -27.191 1.00 0.00 N ATOM 0 H ARG A 63 -15.393 20.596 -27.012 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.706 19.956 -26.947 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.350 22.377 -26.232 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.636 22.386 -25.866 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.633 21.492 -28.476 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.014 22.570 -28.477 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.192 23.271 -27.578 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.959 23.786 -29.067 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.383 24.896 -26.389 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.692 24.500 -29.642 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.728 25.926 -29.525 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.716 26.727 -26.244 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.742 27.182 -27.608 1.00 0.00 H new ATOM 922 N GLN A 64 -14.024 20.276 -23.943 1.00 0.00 N ATOM 923 CA GLN A 64 -13.797 20.009 -22.528 1.00 0.00 C ATOM 924 C GLN A 64 -13.558 18.522 -22.286 1.00 0.00 C ATOM 925 O GLN A 64 -12.607 18.139 -21.603 1.00 0.00 O ATOM 926 CB GLN A 64 -14.990 20.487 -21.699 1.00 0.00 C ATOM 927 CG GLN A 64 -14.879 21.936 -21.253 1.00 0.00 C ATOM 928 CD GLN A 64 -15.751 22.246 -20.052 1.00 0.00 C ATOM 929 OE1 GLN A 64 -16.872 21.749 -19.939 1.00 0.00 O ATOM 930 NE2 GLN A 64 -15.239 23.070 -19.145 1.00 0.00 N ATOM 0 H GLN A 64 -14.969 20.586 -24.168 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.907 20.557 -22.219 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.901 20.365 -22.285 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.089 19.851 -20.819 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.840 22.159 -21.010 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.160 22.589 -22.079 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.306 23.459 -19.279 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.779 23.314 -18.315 1.00 0.00 H new ATOM 939 N ARG A 65 -14.427 17.689 -22.849 1.00 0.00 N ATOM 940 CA ARG A 65 -14.311 16.244 -22.692 1.00 0.00 C ATOM 941 C ARG A 65 -12.924 15.761 -23.109 1.00 0.00 C ATOM 942 O ARG A 65 -12.395 14.802 -22.546 1.00 0.00 O ATOM 943 CB ARG A 65 -15.381 15.532 -23.522 1.00 0.00 C ATOM 944 CG ARG A 65 -16.480 14.898 -22.685 1.00 0.00 C ATOM 945 CD ARG A 65 -17.446 14.101 -23.547 1.00 0.00 C ATOM 946 NE ARG A 65 -17.691 12.767 -23.004 1.00 0.00 N ATOM 947 CZ ARG A 65 -18.287 11.795 -23.685 1.00 0.00 C ATOM 948 NH1 ARG A 65 -18.697 12.006 -24.928 1.00 0.00 N ATOM 949 NH2 ARG A 65 -18.473 10.607 -23.123 1.00 0.00 N ATOM 0 H ARG A 65 -15.219 17.990 -23.418 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.459 16.005 -21.639 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.829 16.247 -24.212 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.905 14.760 -24.127 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.036 14.244 -21.934 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -17.025 15.675 -22.149 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.390 14.639 -23.626 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -17.044 14.013 -24.556 1.00 0.00 H new ATOM 0 HE ARG A 65 -17.388 12.572 -22.050 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.555 12.917 -25.364 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.154 11.257 -25.448 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.158 10.440 -22.167 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -18.931 9.861 -23.647 1.00 0.00 H new ATOM 963 N ILE A 66 -12.343 16.432 -24.097 1.00 0.00 N ATOM 964 CA ILE A 66 -11.018 16.072 -24.588 1.00 0.00 C ATOM 965 C ILE A 66 -9.926 16.621 -23.677 1.00 0.00 C ATOM 966 O ILE A 66 -8.949 15.934 -23.376 1.00 0.00 O ATOM 967 CB ILE A 66 -10.787 16.592 -26.019 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.850 16.032 -26.967 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.393 16.221 -26.500 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.884 16.723 -28.312 1.00 0.00 C ATOM 0 H ILE A 66 -12.768 17.227 -24.573 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.969 14.983 -24.594 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.870 17.679 -26.012 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.666 14.968 -27.119 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.829 16.122 -26.496 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.246 16.596 -27.513 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.650 16.664 -25.837 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.283 15.137 -26.495 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.660 16.275 -28.932 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.098 17.782 -28.171 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.918 16.611 -28.803 1.00 0.00 H new ATOM 982 N LEU A 67 -10.098 17.864 -23.239 1.00 0.00 N ATOM 983 CA LEU A 67 -9.128 18.506 -22.360 1.00 0.00 C ATOM 984 C LEU A 67 -8.827 17.630 -21.149 1.00 0.00 C ATOM 985 O LEU A 67 -7.677 17.264 -20.906 1.00 0.00 O ATOM 986 CB LEU A 67 -9.651 19.869 -21.900 1.00 0.00 C ATOM 987 CG LEU A 67 -9.366 21.046 -22.833 1.00 0.00 C ATOM 988 CD1 LEU A 67 -10.358 22.173 -22.589 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.939 21.541 -22.648 1.00 0.00 C ATOM 0 H LEU A 67 -10.900 18.447 -23.479 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.204 18.648 -22.921 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.730 19.794 -21.761 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.219 20.091 -20.924 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.480 20.704 -23.862 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.140 23.002 -23.262 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.370 21.813 -22.773 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.276 22.513 -21.557 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.754 22.379 -23.320 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.797 21.865 -21.617 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.242 20.734 -22.874 1.00 0.00 H new ATOM 1001 N GLN A 68 -9.868 17.295 -20.393 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.714 16.460 -19.208 1.00 0.00 C ATOM 1003 C GLN A 68 -8.980 15.166 -19.546 1.00 0.00 C ATOM 1004 O GLN A 68 -8.139 14.699 -18.778 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.081 16.141 -18.601 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.192 16.499 -17.128 1.00 0.00 C ATOM 1007 CD GLN A 68 -10.545 15.466 -16.226 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -9.679 15.790 -15.413 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -10.964 14.214 -16.365 1.00 0.00 N ATOM 0 H GLN A 68 -10.827 17.589 -20.580 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.122 17.013 -18.479 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.850 16.679 -19.156 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.284 15.077 -18.724 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.724 17.469 -16.957 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.244 16.601 -16.861 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.684 13.991 -17.052 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.566 13.476 -15.785 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.305 14.591 -20.699 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.675 13.352 -21.139 1.00 0.00 C ATOM 1020 C ALA A 69 -7.172 13.534 -21.320 1.00 0.00 C ATOM 1021 O ALA A 69 -6.378 12.711 -20.863 1.00 0.00 O ATOM 1022 CB ALA A 69 -9.310 12.869 -22.434 1.00 0.00 C ATOM 0 H ALA A 69 -10.001 14.963 -21.345 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.832 12.599 -20.367 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.830 11.943 -22.751 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.373 12.690 -22.273 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.182 13.627 -23.207 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.788 14.615 -21.989 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.380 14.904 -22.230 1.00 0.00 C ATOM 1030 C ILE A 70 -4.650 15.208 -20.926 1.00 0.00 C ATOM 1031 O ILE A 70 -3.439 15.017 -20.823 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.206 16.095 -23.192 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.895 15.805 -24.526 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.729 16.391 -23.406 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -5.951 17.002 -25.450 1.00 0.00 C ATOM 0 H ILE A 70 -7.432 15.306 -22.374 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.949 14.013 -22.686 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.672 16.974 -22.747 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.369 14.993 -25.028 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.910 15.457 -24.333 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.622 17.235 -24.088 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.265 16.635 -22.451 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.241 15.515 -23.833 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.453 16.723 -26.377 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.502 17.809 -24.967 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.938 17.337 -25.673 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.397 15.679 -19.933 1.00 0.00 N ATOM 1048 CA GLN A 71 -4.820 16.008 -18.634 1.00 0.00 C ATOM 1049 C GLN A 71 -4.410 14.744 -17.885 1.00 0.00 C ATOM 1050 O GLN A 71 -3.484 14.765 -17.072 1.00 0.00 O ATOM 1051 CB GLN A 71 -5.819 16.809 -17.797 1.00 0.00 C ATOM 1052 CG GLN A 71 -5.672 18.314 -17.950 1.00 0.00 C ATOM 1053 CD GLN A 71 -6.031 19.068 -16.684 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -6.670 18.523 -15.784 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -5.620 20.328 -16.609 1.00 0.00 N ATOM 0 H GLN A 71 -6.402 15.841 -20.002 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.930 16.614 -18.803 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.831 16.521 -18.080 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.694 16.545 -16.747 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.645 18.548 -18.229 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.309 18.656 -18.765 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.093 20.739 -17.379 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.831 20.885 -15.781 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.104 13.646 -18.164 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.811 12.372 -17.516 1.00 0.00 C ATOM 1066 C LEU A 72 -3.652 11.662 -18.209 1.00 0.00 C ATOM 1067 O LEU A 72 -2.945 10.861 -17.596 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.051 11.476 -17.525 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.316 12.074 -16.907 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.535 11.245 -17.278 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.175 12.172 -15.395 1.00 0.00 C ATOM 0 H LEU A 72 -5.873 13.612 -18.834 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.524 12.575 -16.484 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.269 11.202 -18.557 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.812 10.554 -16.995 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.452 13.079 -17.305 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.425 11.686 -16.829 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.646 11.227 -18.362 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.409 10.227 -16.909 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.084 12.600 -14.972 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.014 11.177 -14.979 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.326 12.810 -15.149 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.462 11.962 -19.489 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.387 11.355 -20.265 1.00 0.00 C ATOM 1085 C LEU A 73 -1.045 11.521 -19.559 1.00 0.00 C ATOM 1086 O LEU A 73 -0.867 12.392 -18.708 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.323 11.979 -21.660 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.291 11.407 -22.696 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.241 12.221 -23.980 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.969 9.946 -22.977 1.00 0.00 C ATOM 0 H LEU A 73 -4.038 12.622 -20.011 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.597 10.290 -20.360 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.512 13.048 -21.567 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.308 11.867 -22.040 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.302 11.465 -22.292 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.936 11.799 -24.706 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.520 13.253 -23.768 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.231 12.195 -24.388 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.668 9.555 -23.717 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.952 9.865 -23.360 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.056 9.370 -22.055 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.076 10.667 -19.922 1.00 0.00 N ATOM 1103 CA PRO A 74 1.268 10.700 -19.338 1.00 0.00 C ATOM 1104 C PRO A 74 2.057 11.932 -19.769 1.00 0.00 C ATOM 1105 O PRO A 74 2.088 12.279 -20.950 1.00 0.00 O ATOM 1106 CB PRO A 74 1.923 9.428 -19.881 1.00 0.00 C ATOM 1107 CG PRO A 74 1.196 9.139 -21.149 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.218 9.603 -20.930 1.00 0.00 C ATOM 0 HA PRO A 74 1.238 10.748 -18.249 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.988 9.577 -20.060 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.831 8.603 -19.175 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.653 9.662 -21.989 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.226 8.075 -21.382 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.665 9.979 -21.851 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.856 8.794 -20.573 1.00 0.00 H new ATOM 1116 N SER A 75 2.695 12.588 -18.805 1.00 0.00 N ATOM 1117 CA SER A 75 3.482 13.783 -19.086 1.00 0.00 C ATOM 1118 C SER A 75 4.975 13.480 -19.012 1.00 0.00 C ATOM 1119 O SER A 75 5.773 14.326 -18.608 1.00 0.00 O ATOM 1120 CB SER A 75 3.126 14.897 -18.099 1.00 0.00 C ATOM 1121 OG SER A 75 3.758 14.690 -16.847 1.00 0.00 O ATOM 0 H SER A 75 2.682 12.312 -17.823 1.00 0.00 H new ATOM 0 HA SER A 75 3.246 14.114 -20.097 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.430 15.861 -18.508 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.045 14.935 -17.963 1.00 0.00 H new ATOM 0 HG SER A 75 3.516 15.416 -16.235 1.00 0.00 H new ATOM 1127 N GLY A 76 5.347 12.265 -19.404 1.00 0.00 N ATOM 1128 CA GLY A 76 6.743 11.870 -19.374 1.00 0.00 C ATOM 1129 C GLY A 76 7.145 11.261 -18.046 1.00 0.00 C ATOM 1130 O GLY A 76 6.334 11.127 -17.129 1.00 0.00 O ATOM 0 H GLY A 76 4.706 11.547 -19.742 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.931 11.151 -20.172 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.368 12.740 -19.575 1.00 0.00 H new ATOM 1134 N PRO A 77 8.425 10.877 -17.930 1.00 0.00 N ATOM 1135 CA PRO A 77 8.962 10.271 -16.708 1.00 0.00 C ATOM 1136 C PRO A 77 9.054 11.268 -15.558 1.00 0.00 C ATOM 1137 O PRO A 77 9.413 12.429 -15.758 1.00 0.00 O ATOM 1138 CB PRO A 77 10.359 9.806 -17.127 1.00 0.00 C ATOM 1139 CG PRO A 77 10.730 10.697 -18.262 1.00 0.00 C ATOM 1140 CD PRO A 77 9.447 11.006 -18.982 1.00 0.00 C ATOM 0 HA PRO A 77 8.324 9.469 -16.337 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.069 9.895 -16.305 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.353 8.759 -17.431 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.205 11.610 -17.902 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.442 10.207 -18.926 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.458 12.008 -19.410 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.269 10.311 -19.802 1.00 0.00 H new ATOM 1148 N SER A 78 8.729 10.808 -14.354 1.00 0.00 N ATOM 1149 CA SER A 78 8.772 11.662 -13.173 1.00 0.00 C ATOM 1150 C SER A 78 9.707 11.080 -12.117 1.00 0.00 C ATOM 1151 O SER A 78 9.336 10.167 -11.379 1.00 0.00 O ATOM 1152 CB SER A 78 7.368 11.832 -12.589 1.00 0.00 C ATOM 1153 OG SER A 78 6.560 12.634 -13.433 1.00 0.00 O ATOM 0 H SER A 78 8.433 9.849 -14.171 1.00 0.00 H new ATOM 0 HA SER A 78 9.153 12.638 -13.474 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.904 10.854 -12.458 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.434 12.289 -11.602 1.00 0.00 H new ATOM 0 HG SER A 78 5.667 12.727 -13.040 1.00 0.00 H new ATOM 1159 N SER A 79 10.921 11.616 -12.051 1.00 0.00 N ATOM 1160 CA SER A 79 11.912 11.149 -11.088 1.00 0.00 C ATOM 1161 C SER A 79 12.662 12.324 -10.467 1.00 0.00 C ATOM 1162 O SER A 79 13.650 12.805 -11.019 1.00 0.00 O ATOM 1163 CB SER A 79 12.901 10.197 -11.763 1.00 0.00 C ATOM 1164 OG SER A 79 12.447 8.857 -11.693 1.00 0.00 O ATOM 0 H SER A 79 11.243 12.374 -12.653 1.00 0.00 H new ATOM 0 HA SER A 79 11.388 10.615 -10.295 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.034 10.485 -12.806 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.876 10.280 -11.283 1.00 0.00 H new ATOM 0 HG SER A 79 13.096 8.268 -12.133 1.00 0.00 H new ATOM 1170 N GLY A 80 12.184 12.780 -9.313 1.00 0.00 N ATOM 1171 CA GLY A 80 12.821 13.894 -8.635 1.00 0.00 C ATOM 1172 C GLY A 80 13.568 13.464 -7.389 1.00 0.00 C ATOM 1173 O GLY A 80 12.961 13.005 -6.421 1.00 0.00 O ATOM 0 H GLY A 80 11.367 12.398 -8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.514 14.384 -9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.065 14.631 -8.365 1.00 0.00 H new TER 1177 GLY A 80