USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 704 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 1 SER OG : rot -113:sc= -3.98! USER MOD Set 1.2: A 90 MET CE :methyl 142:sc= -6.27! (180deg=-5.19!) USER MOD Set 2.1: A 24 MET CE :methyl 139:sc= -5.27! (180deg=-0.142) USER MOD Set 2.2: A 39 CYS SG : rot 126:sc= -4.48! USER MOD Set 2.3: A 45 CYS SG : rot 150:sc= -3.96! USER MOD Set 2.4: A 48 CYS SG : rot 110:sc= -4.27! USER MOD Set 2.5: A 85 SER OG : rot 150:sc= -6.03! USER MOD Set 2.6: A 86 CYS SG : rot -141:sc= -15.8! USER MOD Set 3.1: A 42 SER OG : rot 180:sc= -0.0863! USER MOD Set 3.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 22 SER OG : rot 180:sc= 0.181 USER MOD Set 4.2: A 25 GLN : amide:sc= -4.08! K(o=-3.9!,f=-1.6) USER MOD Single : A 1 SER N :NH3+ -169:sc= 0.598 (180deg=0.337) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -85:sc= -2.62! USER MOD Single : A 7 SER OG : rot 116:sc= -7.26! USER MOD Single : A 8 HIS : no HD1:sc= -6.51! C(o=-6.5!,f=-6.2!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 68:sc= -0.234! USER MOD Single : A 30 ASN : amide:sc= -6.74! C(o=-6.7!,f=-4.9!) USER MOD Single : A 33 TYR OH : rot 180:sc= -1.67! USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= -15.1! C(o=-15!,f=-19!) USER MOD Single : A 51 TYR OH : rot 168:sc= 0.423 USER MOD Single : A 53 ASN : amide:sc= -17.4! C(o=-17!,f=-16!) USER MOD Single : A 57 THR OG1 : rot 90:sc= -1.43 USER MOD Single : A 59 LYS NZ :NH3+ -146:sc= -0.0184 (180deg=-1.1) USER MOD Single : A 64 ASN : amide:sc= -0.18 K(o=-0.18,f=-8.3!) USER MOD Single : A 70 MET CE :methyl -132:sc= -22.8! (180deg=-26.4!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0.334! C(o=0.33!,f=-9.3!) USER MOD Single : A 82 SER OG : rot -57:sc= -5.86! USER MOD Single : A 87 GLN : amide:sc= -19.4! C(o=-19!,f=-24!) USER MOD Single : A 91 THR OG1 : rot -100:sc= -2.54! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.073 -10.662 -9.194 1.00 0.00 N ATOM 2 CA SER A 1 3.337 -9.352 -9.855 1.00 0.00 C ATOM 3 C SER A 1 4.635 -8.744 -9.335 1.00 0.00 C ATOM 4 O SER A 1 5.133 -9.105 -8.288 1.00 0.00 O ATOM 5 CB SER A 1 2.157 -8.455 -9.471 1.00 0.00 C ATOM 6 OG SER A 1 2.646 -7.196 -9.025 1.00 0.00 O ATOM 0 H1 SER A 1 2.296 -11.148 -9.685 1.00 0.00 H new ATOM 0 H2 SER A 1 3.930 -11.250 -9.234 1.00 0.00 H new ATOM 0 H3 SER A 1 2.809 -10.503 -8.201 1.00 0.00 H new ATOM 0 HA SER A 1 3.438 -9.462 -10.935 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.496 -8.318 -10.327 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.567 -8.928 -8.685 1.00 0.00 H new ATOM 0 HG SER A 1 2.453 -7.090 -8.070 1.00 0.00 H new ATOM 14 N LYS A 2 5.166 -7.802 -10.053 1.00 0.00 N ATOM 15 CA LYS A 2 6.414 -7.132 -9.604 1.00 0.00 C ATOM 16 C LYS A 2 6.049 -5.923 -8.751 1.00 0.00 C ATOM 17 O LYS A 2 5.677 -4.888 -9.266 1.00 0.00 O ATOM 18 CB LYS A 2 7.098 -6.674 -10.888 1.00 0.00 C ATOM 19 CG LYS A 2 8.475 -7.329 -11.001 1.00 0.00 C ATOM 20 CD LYS A 2 9.556 -6.316 -10.617 1.00 0.00 C ATOM 21 CE LYS A 2 10.731 -6.429 -11.591 1.00 0.00 C ATOM 22 NZ LYS A 2 11.711 -7.318 -10.910 1.00 0.00 N ATOM 0 H LYS A 2 4.788 -7.464 -10.938 1.00 0.00 H new ATOM 0 HA LYS A 2 7.055 -7.785 -9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.487 -6.938 -11.751 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.200 -5.589 -10.890 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.530 -8.200 -10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.639 -7.683 -12.019 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.147 -5.306 -10.640 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.896 -6.500 -9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.414 -6.849 -12.545 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.165 -5.451 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.546 -7.444 -11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.000 -6.889 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.273 -8.243 -10.729 1.00 0.00 H new ATOM 36 N VAL A 3 6.129 -6.029 -7.458 1.00 0.00 N ATOM 37 CA VAL A 3 5.760 -4.862 -6.627 1.00 0.00 C ATOM 38 C VAL A 3 6.984 -4.250 -5.969 1.00 0.00 C ATOM 39 O VAL A 3 7.915 -4.930 -5.581 1.00 0.00 O ATOM 40 CB VAL A 3 4.804 -5.397 -5.576 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.600 -4.331 -4.508 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.470 -5.710 -6.236 1.00 0.00 C ATOM 0 H VAL A 3 6.429 -6.860 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 3 5.306 -4.075 -7.229 1.00 0.00 H new ATOM 0 HB VAL A 3 5.211 -6.301 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.915 -4.705 -3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.558 -4.090 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.181 -3.434 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.776 -6.095 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.060 -4.801 -6.678 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.616 -6.458 -7.015 1.00 0.00 H new ATOM 52 N VAL A 4 6.968 -2.964 -5.826 1.00 0.00 N ATOM 53 CA VAL A 4 8.112 -2.268 -5.174 1.00 0.00 C ATOM 54 C VAL A 4 7.583 -1.318 -4.106 1.00 0.00 C ATOM 55 O VAL A 4 6.705 -0.517 -4.350 1.00 0.00 O ATOM 56 CB VAL A 4 8.830 -1.519 -6.290 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.670 -0.382 -5.701 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.744 -2.487 -7.045 1.00 0.00 C ATOM 0 H VAL A 4 6.209 -2.355 -6.133 1.00 0.00 H new ATOM 0 HA VAL A 4 8.796 -2.955 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 4 8.091 -1.101 -6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.180 0.148 -6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.021 0.310 -5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.408 -0.794 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.259 -1.953 -7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.478 -2.906 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.147 -3.292 -7.473 1.00 0.00 H new ATOM 68 N TYR A 5 8.097 -1.426 -2.920 1.00 0.00 N ATOM 69 CA TYR A 5 7.613 -0.566 -1.810 1.00 0.00 C ATOM 70 C TYR A 5 8.563 0.575 -1.515 1.00 0.00 C ATOM 71 O TYR A 5 9.762 0.406 -1.445 1.00 0.00 O ATOM 72 CB TYR A 5 7.545 -1.507 -0.623 1.00 0.00 C ATOM 73 CG TYR A 5 6.719 -2.681 -1.031 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.363 -2.492 -1.312 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.292 -3.953 -1.155 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.575 -3.576 -1.710 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.506 -5.013 -1.549 1.00 0.00 C ATOM 78 CZ TYR A 5 5.150 -4.842 -1.826 1.00 0.00 C ATOM 79 OH TYR A 5 4.381 -5.921 -2.215 1.00 0.00 O ATOM 0 H TYR A 5 8.839 -2.079 -2.668 1.00 0.00 H new ATOM 0 HA TYR A 5 6.659 -0.098 -2.052 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.545 -1.825 -0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.102 -1.007 0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.924 -1.509 -1.222 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.341 -4.101 -0.944 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.526 -3.434 -1.927 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.948 -5.994 -1.645 1.00 0.00 H new ATOM 0 HH TYR A 5 3.932 -6.302 -1.432 1.00 0.00 H new ATOM 89 N VAL A 6 8.024 1.736 -1.315 1.00 0.00 N ATOM 90 CA VAL A 6 8.895 2.902 -0.990 1.00 0.00 C ATOM 91 C VAL A 6 8.500 3.474 0.364 1.00 0.00 C ATOM 92 O VAL A 6 7.340 3.693 0.633 1.00 0.00 O ATOM 93 CB VAL A 6 8.661 3.953 -2.080 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.888 4.864 -2.174 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.433 3.274 -3.429 1.00 0.00 C ATOM 0 H VAL A 6 7.024 1.934 -1.361 1.00 0.00 H new ATOM 0 HA VAL A 6 9.944 2.607 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 6 7.779 4.540 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.726 5.614 -2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.047 5.360 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.766 4.268 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.268 4.032 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.309 2.680 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.559 2.625 -3.367 1.00 0.00 H new ATOM 105 N SER A 7 9.447 3.744 1.210 1.00 0.00 N ATOM 106 CA SER A 7 9.095 4.331 2.524 1.00 0.00 C ATOM 107 C SER A 7 8.853 5.825 2.324 1.00 0.00 C ATOM 108 O SER A 7 8.621 6.277 1.220 1.00 0.00 O ATOM 109 CB SER A 7 10.316 4.093 3.412 1.00 0.00 C ATOM 110 OG SER A 7 11.480 4.554 2.740 1.00 0.00 O ATOM 0 H SER A 7 10.442 3.585 1.050 1.00 0.00 H new ATOM 0 HA SER A 7 8.200 3.896 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.198 4.617 4.361 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.411 3.032 3.643 1.00 0.00 H new ATOM 0 HG SER A 7 11.873 5.300 3.240 1.00 0.00 H new ATOM 116 N HIS A 8 8.939 6.603 3.357 1.00 0.00 N ATOM 117 CA HIS A 8 8.750 8.073 3.175 1.00 0.00 C ATOM 118 C HIS A 8 10.116 8.759 3.229 1.00 0.00 C ATOM 119 O HIS A 8 10.244 9.937 2.963 1.00 0.00 O ATOM 120 CB HIS A 8 7.821 8.573 4.299 1.00 0.00 C ATOM 121 CG HIS A 8 7.820 7.644 5.477 1.00 0.00 C ATOM 122 ND1 HIS A 8 6.650 7.087 5.945 1.00 0.00 N ATOM 123 CD2 HIS A 8 8.817 7.184 6.301 1.00 0.00 C ATOM 124 CE1 HIS A 8 6.960 6.323 7.008 1.00 0.00 C ATOM 125 NE2 HIS A 8 8.270 6.348 7.270 1.00 0.00 N ATOM 0 H HIS A 8 9.129 6.297 4.311 1.00 0.00 H new ATOM 0 HA HIS A 8 8.296 8.303 2.211 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.139 9.565 4.619 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.806 8.673 3.914 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.864 7.432 6.211 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.238 5.758 7.580 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.763 5.860 8.018 1.00 0.00 H new ATOM 133 N ASP A 9 11.143 8.014 3.548 1.00 0.00 N ATOM 134 CA ASP A 9 12.512 8.598 3.595 1.00 0.00 C ATOM 135 C ASP A 9 13.270 8.238 2.310 1.00 0.00 C ATOM 136 O ASP A 9 14.421 8.588 2.139 1.00 0.00 O ATOM 137 CB ASP A 9 13.178 7.956 4.811 1.00 0.00 C ATOM 138 CG ASP A 9 13.267 6.442 4.607 1.00 0.00 C ATOM 139 OD1 ASP A 9 12.300 5.766 4.915 1.00 0.00 O ATOM 140 OD2 ASP A 9 14.299 5.986 4.145 1.00 0.00 O ATOM 0 H ASP A 9 11.089 7.022 3.779 1.00 0.00 H new ATOM 0 HA ASP A 9 12.501 9.685 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.175 8.373 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.606 8.179 5.712 1.00 0.00 H new ATOM 145 N GLY A 10 12.628 7.543 1.405 1.00 0.00 N ATOM 146 CA GLY A 10 13.307 7.162 0.132 1.00 0.00 C ATOM 147 C GLY A 10 13.561 5.651 0.099 1.00 0.00 C ATOM 148 O GLY A 10 13.711 5.065 -0.955 1.00 0.00 O ATOM 0 H GLY A 10 11.663 7.224 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.691 7.453 -0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.251 7.699 0.040 1.00 0.00 H new ATOM 152 N THR A 11 13.613 5.012 1.237 1.00 0.00 N ATOM 153 CA THR A 11 13.857 3.550 1.256 1.00 0.00 C ATOM 154 C THR A 11 12.903 2.861 0.285 1.00 0.00 C ATOM 155 O THR A 11 11.731 3.175 0.203 1.00 0.00 O ATOM 156 CB THR A 11 13.620 3.120 2.716 1.00 0.00 C ATOM 157 OG1 THR A 11 14.786 2.474 3.206 1.00 0.00 O ATOM 158 CG2 THR A 11 12.426 2.162 2.836 1.00 0.00 C ATOM 0 H THR A 11 13.496 5.445 2.153 1.00 0.00 H new ATOM 0 HA THR A 11 14.863 3.278 0.938 1.00 0.00 H new ATOM 0 HB THR A 11 13.400 4.013 3.302 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.642 2.200 4.136 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.289 1.880 3.880 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.525 2.656 2.472 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.615 1.269 2.241 1.00 0.00 H new ATOM 166 N ARG A 12 13.411 1.933 -0.452 1.00 0.00 N ATOM 167 CA ARG A 12 12.562 1.207 -1.441 1.00 0.00 C ATOM 168 C ARG A 12 12.721 -0.314 -1.300 1.00 0.00 C ATOM 169 O ARG A 12 13.765 -0.809 -0.923 1.00 0.00 O ATOM 170 CB ARG A 12 13.071 1.670 -2.807 1.00 0.00 C ATOM 171 CG ARG A 12 12.012 2.551 -3.474 1.00 0.00 C ATOM 172 CD ARG A 12 11.886 2.170 -4.950 1.00 0.00 C ATOM 173 NE ARG A 12 11.825 3.468 -5.678 1.00 0.00 N ATOM 174 CZ ARG A 12 11.925 3.493 -6.980 1.00 0.00 C ATOM 175 NH1 ARG A 12 11.386 2.543 -7.693 1.00 0.00 N ATOM 176 NH2 ARG A 12 12.563 4.468 -7.566 1.00 0.00 N ATOM 0 H ARG A 12 14.386 1.636 -0.419 1.00 0.00 H new ATOM 0 HA ARG A 12 11.503 1.419 -1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.001 2.226 -2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.291 0.808 -3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.052 2.427 -2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.287 3.602 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.737 1.573 -5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.991 1.574 -5.129 1.00 0.00 H new ATOM 0 HE ARG A 12 11.705 4.338 -5.159 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.887 1.781 -7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.464 2.562 -8.710 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.984 5.211 -7.007 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.641 4.488 -8.583 1.00 0.00 H new ATOM 190 N ARG A 13 11.690 -1.054 -1.614 1.00 0.00 N ATOM 191 CA ARG A 13 11.761 -2.543 -1.518 1.00 0.00 C ATOM 192 C ARG A 13 11.036 -3.172 -2.709 1.00 0.00 C ATOM 193 O ARG A 13 10.171 -2.565 -3.298 1.00 0.00 O ATOM 194 CB ARG A 13 11.038 -2.898 -0.219 1.00 0.00 C ATOM 195 CG ARG A 13 11.573 -4.227 0.317 1.00 0.00 C ATOM 196 CD ARG A 13 12.211 -4.011 1.693 1.00 0.00 C ATOM 197 NE ARG A 13 11.258 -3.139 2.433 1.00 0.00 N ATOM 198 CZ ARG A 13 11.604 -2.618 3.579 1.00 0.00 C ATOM 199 NH1 ARG A 13 12.595 -3.130 4.255 1.00 0.00 N ATOM 200 NH2 ARG A 13 10.957 -1.587 4.048 1.00 0.00 N ATOM 0 H ARG A 13 10.794 -0.688 -1.936 1.00 0.00 H new ATOM 0 HA ARG A 13 12.788 -2.908 -1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.187 -2.110 0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.965 -2.971 -0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.763 -4.953 0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.308 -4.639 -0.374 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.361 -4.959 2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.189 -3.538 1.604 1.00 0.00 H new ATOM 0 HE ARG A 13 10.334 -2.948 2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.099 -3.937 3.888 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.866 -2.723 5.150 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.181 -1.188 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.227 -1.180 4.943 1.00 0.00 H new ATOM 214 N GLU A 14 11.373 -4.378 -3.071 1.00 0.00 N ATOM 215 CA GLU A 14 10.681 -5.029 -4.226 1.00 0.00 C ATOM 216 C GLU A 14 10.221 -6.443 -3.844 1.00 0.00 C ATOM 217 O GLU A 14 11.000 -7.246 -3.369 1.00 0.00 O ATOM 218 CB GLU A 14 11.732 -5.087 -5.334 1.00 0.00 C ATOM 219 CG GLU A 14 12.398 -3.717 -5.480 1.00 0.00 C ATOM 220 CD GLU A 14 12.650 -3.426 -6.960 1.00 0.00 C ATOM 221 OE1 GLU A 14 11.873 -3.895 -7.776 1.00 0.00 O ATOM 222 OE2 GLU A 14 13.615 -2.740 -7.252 1.00 0.00 O ATOM 0 H GLU A 14 12.094 -4.942 -2.621 1.00 0.00 H new ATOM 0 HA GLU A 14 9.791 -4.481 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.481 -5.844 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.267 -5.379 -6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.761 -2.944 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.339 -3.698 -4.930 1.00 0.00 H new ATOM 229 N LEU A 15 8.969 -6.764 -4.054 1.00 0.00 N ATOM 230 CA LEU A 15 8.490 -8.137 -3.704 1.00 0.00 C ATOM 231 C LEU A 15 7.944 -8.849 -4.935 1.00 0.00 C ATOM 232 O LEU A 15 8.032 -8.377 -6.052 1.00 0.00 O ATOM 233 CB LEU A 15 7.322 -7.952 -2.728 1.00 0.00 C ATOM 234 CG LEU A 15 7.811 -7.780 -1.286 1.00 0.00 C ATOM 235 CD1 LEU A 15 6.611 -7.686 -0.349 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.590 -8.974 -0.845 1.00 0.00 C ATOM 0 H LEU A 15 8.264 -6.142 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 15 9.310 -8.723 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.738 -7.080 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.658 -8.815 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 15 8.427 -6.882 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.959 -7.564 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.997 -6.830 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.018 -8.597 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.927 -8.830 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.958 -9.861 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.455 -9.105 -1.496 1.00 0.00 H new ATOM 248 N ASP A 16 7.330 -9.969 -4.702 1.00 0.00 N ATOM 249 CA ASP A 16 6.696 -10.746 -5.790 1.00 0.00 C ATOM 250 C ASP A 16 5.307 -11.139 -5.291 1.00 0.00 C ATOM 251 O ASP A 16 5.099 -12.220 -4.777 1.00 0.00 O ATOM 252 CB ASP A 16 7.581 -11.978 -5.988 1.00 0.00 C ATOM 253 CG ASP A 16 7.138 -12.729 -7.246 1.00 0.00 C ATOM 254 OD1 ASP A 16 6.362 -12.170 -8.003 1.00 0.00 O ATOM 255 OD2 ASP A 16 7.584 -13.849 -7.431 1.00 0.00 O ATOM 0 H ASP A 16 7.240 -10.388 -3.776 1.00 0.00 H new ATOM 0 HA ASP A 16 6.598 -10.204 -6.731 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.625 -11.678 -6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.512 -12.632 -5.118 1.00 0.00 H new ATOM 260 N VAL A 17 4.365 -10.243 -5.393 1.00 0.00 N ATOM 261 CA VAL A 17 3.001 -10.531 -4.876 1.00 0.00 C ATOM 262 C VAL A 17 2.082 -10.973 -6.011 1.00 0.00 C ATOM 263 O VAL A 17 2.018 -10.356 -7.053 1.00 0.00 O ATOM 264 CB VAL A 17 2.536 -9.201 -4.282 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.184 -9.385 -3.599 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.563 -8.720 -3.255 1.00 0.00 C ATOM 0 H VAL A 17 4.483 -9.321 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 17 2.990 -11.338 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 17 2.439 -8.464 -5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.857 -8.435 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.451 -9.729 -4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.276 -10.123 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.235 -7.772 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.658 -9.461 -2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.529 -8.584 -3.742 1.00 0.00 H new ATOM 276 N ALA A 18 1.388 -12.058 -5.816 1.00 0.00 N ATOM 277 CA ALA A 18 0.487 -12.570 -6.888 1.00 0.00 C ATOM 278 C ALA A 18 -0.985 -12.415 -6.505 1.00 0.00 C ATOM 279 O ALA A 18 -1.344 -11.637 -5.643 1.00 0.00 O ATOM 280 CB ALA A 18 0.835 -14.052 -7.011 1.00 0.00 C ATOM 0 H ALA A 18 1.405 -12.614 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 18 0.624 -12.020 -7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.215 -14.509 -7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.886 -14.158 -7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.653 -14.549 -6.058 1.00 0.00 H new ATOM 286 N ASP A 19 -1.835 -13.163 -7.152 1.00 0.00 N ATOM 287 CA ASP A 19 -3.283 -13.099 -6.864 1.00 0.00 C ATOM 288 C ASP A 19 -3.574 -13.712 -5.496 1.00 0.00 C ATOM 289 O ASP A 19 -3.239 -14.847 -5.222 1.00 0.00 O ATOM 290 CB ASP A 19 -3.929 -13.913 -7.991 1.00 0.00 C ATOM 291 CG ASP A 19 -3.926 -15.406 -7.640 1.00 0.00 C ATOM 292 OD1 ASP A 19 -4.870 -15.848 -7.007 1.00 0.00 O ATOM 293 OD2 ASP A 19 -2.978 -16.079 -8.010 1.00 0.00 O ATOM 0 H ASP A 19 -1.575 -13.827 -7.881 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.667 -12.080 -6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.952 -13.573 -8.154 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.387 -13.751 -8.923 1.00 0.00 H new ATOM 298 N GLY A 20 -4.197 -12.964 -4.644 1.00 0.00 N ATOM 299 CA GLY A 20 -4.522 -13.486 -3.289 1.00 0.00 C ATOM 300 C GLY A 20 -3.678 -12.769 -2.235 1.00 0.00 C ATOM 301 O GLY A 20 -3.964 -12.836 -1.055 1.00 0.00 O ATOM 0 H GLY A 20 -4.500 -12.007 -4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.582 -13.340 -3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.334 -14.559 -3.249 1.00 0.00 H new ATOM 305 N VAL A 21 -2.649 -12.071 -2.636 1.00 0.00 N ATOM 306 CA VAL A 21 -1.822 -11.352 -1.628 1.00 0.00 C ATOM 307 C VAL A 21 -2.058 -9.847 -1.723 1.00 0.00 C ATOM 308 O VAL A 21 -2.612 -9.343 -2.680 1.00 0.00 O ATOM 309 CB VAL A 21 -0.359 -11.651 -1.954 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.526 -11.094 -0.839 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.126 -13.158 -2.065 1.00 0.00 C ATOM 0 H VAL A 21 -2.349 -11.969 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.083 -11.677 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.111 -11.185 -2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.571 -11.304 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.380 -10.016 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.258 -11.564 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.922 -13.348 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.380 -13.636 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.753 -13.566 -2.858 1.00 0.00 H new ATOM 321 N SER A 22 -1.613 -9.136 -0.738 1.00 0.00 N ATOM 322 CA SER A 22 -1.762 -7.653 -0.727 1.00 0.00 C ATOM 323 C SER A 22 -0.372 -7.023 -0.634 1.00 0.00 C ATOM 324 O SER A 22 0.541 -7.626 -0.105 1.00 0.00 O ATOM 325 CB SER A 22 -2.578 -7.342 0.536 1.00 0.00 C ATOM 326 OG SER A 22 -2.826 -8.547 1.251 1.00 0.00 O ATOM 0 H SER A 22 -1.142 -9.522 0.080 1.00 0.00 H new ATOM 0 HA SER A 22 -2.250 -7.265 -1.621 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.036 -6.637 1.167 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.521 -6.867 0.265 1.00 0.00 H new ATOM 0 HG SER A 22 -3.345 -8.348 2.058 1.00 0.00 H new ATOM 332 N LEU A 23 -0.188 -5.818 -1.114 1.00 0.00 N ATOM 333 CA LEU A 23 1.167 -5.199 -0.994 1.00 0.00 C ATOM 334 C LEU A 23 1.648 -5.400 0.433 1.00 0.00 C ATOM 335 O LEU A 23 2.828 -5.469 0.711 1.00 0.00 O ATOM 336 CB LEU A 23 0.981 -3.702 -1.277 1.00 0.00 C ATOM 337 CG LEU A 23 0.358 -3.501 -2.661 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.529 -2.043 -3.089 1.00 0.00 C ATOM 339 CD2 LEU A 23 1.054 -4.411 -3.677 1.00 0.00 C ATOM 0 H LEU A 23 -0.899 -5.248 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 23 1.892 -5.636 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.343 -3.256 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.943 -3.192 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.702 -3.749 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.086 -1.899 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.033 -1.392 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.590 -1.798 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.608 -4.266 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.115 -4.165 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.935 -5.452 -3.375 1.00 0.00 H new ATOM 351 N MET A 24 0.718 -5.505 1.337 1.00 0.00 N ATOM 352 CA MET A 24 1.072 -5.712 2.758 1.00 0.00 C ATOM 353 C MET A 24 1.584 -7.119 2.980 1.00 0.00 C ATOM 354 O MET A 24 2.722 -7.342 3.311 1.00 0.00 O ATOM 355 CB MET A 24 -0.238 -5.508 3.523 1.00 0.00 C ATOM 356 CG MET A 24 -0.172 -6.245 4.856 1.00 0.00 C ATOM 357 SD MET A 24 -1.565 -5.766 5.890 1.00 0.00 S ATOM 358 CE MET A 24 -0.575 -5.239 7.302 1.00 0.00 C ATOM 0 H MET A 24 -0.283 -5.455 1.146 1.00 0.00 H new ATOM 0 HA MET A 24 1.858 -5.031 3.084 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.411 -4.445 3.692 1.00 0.00 H new ATOM 0 HB3 MET A 24 -1.077 -5.877 2.933 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.186 -7.322 4.687 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.765 -6.014 5.363 1.00 0.00 H new ATOM 0 HE1 MET A 24 -0.995 -4.324 7.720 1.00 0.00 H new ATOM 0 HE2 MET A 24 -0.580 -6.021 8.062 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.449 -5.053 6.979 1.00 0.00 H new ATOM 368 N GLN A 25 0.716 -8.053 2.826 1.00 0.00 N ATOM 369 CA GLN A 25 1.054 -9.471 3.059 1.00 0.00 C ATOM 370 C GLN A 25 2.477 -9.819 2.584 1.00 0.00 C ATOM 371 O GLN A 25 3.356 -10.018 3.398 1.00 0.00 O ATOM 372 CB GLN A 25 0.004 -10.168 2.219 1.00 0.00 C ATOM 373 CG GLN A 25 0.035 -11.677 2.436 1.00 0.00 C ATOM 374 CD GLN A 25 -1.356 -12.256 2.143 1.00 0.00 C ATOM 375 OE1 GLN A 25 -1.625 -13.397 2.464 1.00 0.00 O ATOM 376 NE2 GLN A 25 -2.262 -11.518 1.544 1.00 0.00 N ATOM 0 H GLN A 25 -0.249 -7.892 2.538 1.00 0.00 H new ATOM 0 HA GLN A 25 1.052 -9.754 4.112 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.983 -9.782 2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.172 -9.946 1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.778 -12.135 1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.328 -11.903 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.041 -10.560 1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.187 -11.903 1.350 1.00 0.00 H new ATOM 385 N ALA A 26 2.725 -9.913 1.295 1.00 0.00 N ATOM 386 CA ALA A 26 4.114 -10.265 0.847 1.00 0.00 C ATOM 387 C ALA A 26 5.125 -9.478 1.676 1.00 0.00 C ATOM 388 O ALA A 26 6.000 -10.029 2.312 1.00 0.00 O ATOM 389 CB ALA A 26 4.232 -9.841 -0.624 1.00 0.00 C ATOM 0 H ALA A 26 2.044 -9.765 0.550 1.00 0.00 H new ATOM 0 HA ALA A 26 4.307 -11.331 0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.230 -10.079 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.489 -10.375 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.061 -8.768 -0.708 1.00 0.00 H new ATOM 395 N ALA A 27 4.993 -8.183 1.667 1.00 0.00 N ATOM 396 CA ALA A 27 5.923 -7.318 2.444 1.00 0.00 C ATOM 397 C ALA A 27 5.885 -7.736 3.910 1.00 0.00 C ATOM 398 O ALA A 27 6.871 -8.161 4.477 1.00 0.00 O ATOM 399 CB ALA A 27 5.343 -5.922 2.263 1.00 0.00 C ATOM 0 H ALA A 27 4.272 -7.680 1.149 1.00 0.00 H new ATOM 0 HA ALA A 27 6.962 -7.380 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.958 -5.200 2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.329 -5.669 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.327 -5.897 2.656 1.00 0.00 H new ATOM 405 N VAL A 28 4.726 -7.640 4.497 1.00 0.00 N ATOM 406 CA VAL A 28 4.521 -8.051 5.913 1.00 0.00 C ATOM 407 C VAL A 28 5.438 -9.236 6.232 1.00 0.00 C ATOM 408 O VAL A 28 6.373 -9.130 7.001 1.00 0.00 O ATOM 409 CB VAL A 28 3.042 -8.454 5.909 1.00 0.00 C ATOM 410 CG1 VAL A 28 2.793 -9.717 6.736 1.00 0.00 C ATOM 411 CG2 VAL A 28 2.187 -7.338 6.480 1.00 0.00 C ATOM 0 H VAL A 28 3.887 -7.283 4.040 1.00 0.00 H new ATOM 0 HA VAL A 28 4.750 -7.290 6.659 1.00 0.00 H new ATOM 0 HB VAL A 28 2.773 -8.649 4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.733 -9.968 6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.373 -10.543 6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.096 -9.542 7.768 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.140 -7.640 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.495 -7.132 7.505 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.311 -6.439 5.876 1.00 0.00 H new ATOM 421 N SER A 29 5.189 -10.353 5.612 1.00 0.00 N ATOM 422 CA SER A 29 6.053 -11.544 5.829 1.00 0.00 C ATOM 423 C SER A 29 7.510 -11.150 5.635 1.00 0.00 C ATOM 424 O SER A 29 8.357 -11.388 6.473 1.00 0.00 O ATOM 425 CB SER A 29 5.665 -12.517 4.732 1.00 0.00 C ATOM 426 OG SER A 29 4.624 -11.958 3.939 1.00 0.00 O ATOM 0 H SER A 29 4.418 -10.493 4.959 1.00 0.00 H new ATOM 0 HA SER A 29 5.932 -11.963 6.828 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.530 -12.740 4.108 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.336 -13.460 5.169 1.00 0.00 H new ATOM 0 HG SER A 29 4.972 -11.193 3.435 1.00 0.00 H new ATOM 432 N ASN A 30 7.795 -10.531 4.523 1.00 0.00 N ATOM 433 CA ASN A 30 9.184 -10.087 4.237 1.00 0.00 C ATOM 434 C ASN A 30 9.643 -9.100 5.311 1.00 0.00 C ATOM 435 O ASN A 30 10.789 -8.696 5.350 1.00 0.00 O ATOM 436 CB ASN A 30 9.083 -9.389 2.878 1.00 0.00 C ATOM 437 CG ASN A 30 9.511 -10.353 1.771 1.00 0.00 C ATOM 438 OD1 ASN A 30 10.683 -10.612 1.592 1.00 0.00 O ATOM 439 ND2 ASN A 30 8.597 -10.899 1.016 1.00 0.00 N ATOM 0 H ASN A 30 7.116 -10.313 3.794 1.00 0.00 H new ATOM 0 HA ASN A 30 9.901 -10.908 4.230 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.060 -9.053 2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.716 -8.502 2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.867 -11.545 0.274 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.612 -10.680 1.168 1.00 0.00 H new ATOM 446 N GLY A 31 8.752 -8.700 6.177 1.00 0.00 N ATOM 447 CA GLY A 31 9.139 -7.724 7.242 1.00 0.00 C ATOM 448 C GLY A 31 9.039 -6.312 6.685 1.00 0.00 C ATOM 449 O GLY A 31 9.113 -5.342 7.412 1.00 0.00 O ATOM 0 H GLY A 31 7.778 -9.003 6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.486 -7.834 8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.155 -7.923 7.582 1.00 0.00 H new ATOM 453 N ILE A 32 8.851 -6.186 5.399 1.00 0.00 N ATOM 454 CA ILE A 32 8.720 -4.834 4.802 1.00 0.00 C ATOM 455 C ILE A 32 7.805 -3.992 5.692 1.00 0.00 C ATOM 456 O ILE A 32 8.009 -2.809 5.874 1.00 0.00 O ATOM 457 CB ILE A 32 8.091 -5.083 3.434 1.00 0.00 C ATOM 458 CG1 ILE A 32 9.151 -5.613 2.469 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.509 -3.781 2.876 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.492 -5.906 1.122 1.00 0.00 C ATOM 0 H ILE A 32 8.783 -6.962 4.740 1.00 0.00 H new ATOM 0 HA ILE A 32 9.665 -4.298 4.712 1.00 0.00 H new ATOM 0 HB ILE A 32 7.292 -5.817 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.949 -4.881 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.607 -6.518 2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.063 -3.971 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.746 -3.403 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.303 -3.042 2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.240 -6.285 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.709 -6.652 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.056 -4.990 0.723 1.00 0.00 H new ATOM 472 N TYR A 33 6.799 -4.607 6.256 1.00 0.00 N ATOM 473 CA TYR A 33 5.872 -3.852 7.146 1.00 0.00 C ATOM 474 C TYR A 33 6.115 -4.157 8.616 1.00 0.00 C ATOM 475 O TYR A 33 5.244 -4.668 9.293 1.00 0.00 O ATOM 476 CB TYR A 33 4.478 -4.323 6.787 1.00 0.00 C ATOM 477 CG TYR A 33 4.047 -3.651 5.531 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.635 -2.313 5.548 1.00 0.00 C ATOM 479 CD2 TYR A 33 4.055 -4.371 4.348 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.223 -1.699 4.360 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.649 -3.770 3.164 1.00 0.00 C ATOM 482 CZ TYR A 33 3.226 -2.430 3.161 1.00 0.00 C ATOM 483 OH TYR A 33 2.822 -1.834 1.984 1.00 0.00 O ATOM 0 H TYR A 33 6.580 -5.596 6.139 1.00 0.00 H new ATOM 0 HA TYR A 33 6.018 -2.781 7.007 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.468 -5.405 6.657 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.783 -4.093 7.595 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.635 -1.757 6.474 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.378 -5.402 4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.904 -0.667 4.365 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.658 -4.334 2.243 1.00 0.00 H new ATOM 0 HH TYR A 33 2.887 -2.481 1.251 1.00 0.00 H new ATOM 559 N CYS A 39 -5.004 -5.275 10.687 1.00 0.00 N ATOM 560 CA CYS A 39 -5.831 -5.552 9.469 1.00 0.00 C ATOM 561 C CYS A 39 -6.044 -7.052 9.279 1.00 0.00 C ATOM 562 O CYS A 39 -7.163 -7.508 9.144 1.00 0.00 O ATOM 563 CB CYS A 39 -5.070 -4.972 8.267 1.00 0.00 C ATOM 564 SG CYS A 39 -3.285 -5.265 8.426 1.00 0.00 S ATOM 0 HA CYS A 39 -6.816 -5.096 9.571 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.436 -5.426 7.346 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.261 -3.902 8.193 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.845 -5.855 7.354 1.00 0.00 H new ATOM 569 N GLY A 40 -4.990 -7.826 9.242 1.00 0.00 N ATOM 570 CA GLY A 40 -5.167 -9.289 9.026 1.00 0.00 C ATOM 571 C GLY A 40 -6.147 -9.469 7.872 1.00 0.00 C ATOM 572 O GLY A 40 -7.025 -10.309 7.905 1.00 0.00 O ATOM 0 H GLY A 40 -4.026 -7.511 9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.212 -9.760 8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.547 -9.766 9.929 1.00 0.00 H new ATOM 576 N GLY A 41 -6.017 -8.653 6.860 1.00 0.00 N ATOM 577 CA GLY A 41 -6.951 -8.731 5.707 1.00 0.00 C ATOM 578 C GLY A 41 -8.242 -8.001 6.082 1.00 0.00 C ATOM 579 O GLY A 41 -9.330 -8.449 5.781 1.00 0.00 O ATOM 0 H GLY A 41 -5.299 -7.933 6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.502 -8.278 4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.162 -9.771 5.459 1.00 0.00 H new ATOM 583 N SER A 42 -8.126 -6.882 6.752 1.00 0.00 N ATOM 584 CA SER A 42 -9.350 -6.130 7.160 1.00 0.00 C ATOM 585 C SER A 42 -9.237 -4.646 6.797 1.00 0.00 C ATOM 586 O SER A 42 -10.216 -4.018 6.451 1.00 0.00 O ATOM 587 CB SER A 42 -9.436 -6.308 8.675 1.00 0.00 C ATOM 588 OG SER A 42 -10.602 -5.653 9.158 1.00 0.00 O ATOM 0 H SER A 42 -7.241 -6.459 7.033 1.00 0.00 H new ATOM 0 HA SER A 42 -10.239 -6.500 6.649 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.469 -7.368 8.927 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.548 -5.894 9.153 1.00 0.00 H new ATOM 0 HG SER A 42 -10.662 -5.766 10.130 1.00 0.00 H new ATOM 594 N ALA A 43 -8.057 -4.082 6.870 1.00 0.00 N ATOM 595 CA ALA A 43 -7.884 -2.634 6.520 1.00 0.00 C ATOM 596 C ALA A 43 -8.409 -1.724 7.635 1.00 0.00 C ATOM 597 O ALA A 43 -9.323 -0.948 7.437 1.00 0.00 O ATOM 598 CB ALA A 43 -8.679 -2.410 5.239 1.00 0.00 C ATOM 0 H ALA A 43 -7.203 -4.561 7.157 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.829 -2.392 6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.590 -1.367 4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.288 -3.054 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.728 -2.648 5.415 1.00 0.00 H new ATOM 604 N SER A 44 -7.842 -1.817 8.798 1.00 0.00 N ATOM 605 CA SER A 44 -8.292 -0.946 9.927 1.00 0.00 C ATOM 606 C SER A 44 -7.078 -0.288 10.604 1.00 0.00 C ATOM 607 O SER A 44 -7.191 0.313 11.655 1.00 0.00 O ATOM 608 CB SER A 44 -9.001 -1.890 10.896 1.00 0.00 C ATOM 609 OG SER A 44 -8.495 -3.207 10.724 1.00 0.00 O ATOM 0 H SER A 44 -7.082 -2.459 9.024 1.00 0.00 H new ATOM 0 HA SER A 44 -8.945 -0.140 9.594 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.845 -1.560 11.923 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.076 -1.875 10.716 1.00 0.00 H new ATOM 0 HG SER A 44 -8.947 -3.815 11.346 1.00 0.00 H new ATOM 615 N CYS A 45 -5.915 -0.428 10.025 1.00 0.00 N ATOM 616 CA CYS A 45 -4.675 0.157 10.650 1.00 0.00 C ATOM 617 C CYS A 45 -4.102 1.311 9.835 1.00 0.00 C ATOM 618 O CYS A 45 -3.664 1.140 8.721 1.00 0.00 O ATOM 619 CB CYS A 45 -3.623 -0.969 10.746 1.00 0.00 C ATOM 620 SG CYS A 45 -4.290 -2.535 10.138 1.00 0.00 S ATOM 0 H CYS A 45 -5.762 -0.921 9.145 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.934 0.556 11.631 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.740 -0.697 10.167 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.302 -1.084 11.781 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.329 -3.247 9.629 1.00 0.00 H new ATOM 625 N ALA A 46 -4.058 2.481 10.403 1.00 0.00 N ATOM 626 CA ALA A 46 -3.470 3.635 9.670 1.00 0.00 C ATOM 627 C ALA A 46 -1.940 3.512 9.662 1.00 0.00 C ATOM 628 O ALA A 46 -1.242 4.349 9.126 1.00 0.00 O ATOM 629 CB ALA A 46 -3.908 4.871 10.457 1.00 0.00 C ATOM 0 H ALA A 46 -4.402 2.689 11.340 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.797 3.684 8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.512 5.767 9.978 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.997 4.922 10.479 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.527 4.807 11.476 1.00 0.00 H new ATOM 635 N THR A 47 -1.415 2.471 10.260 1.00 0.00 N ATOM 636 CA THR A 47 0.065 2.288 10.295 1.00 0.00 C ATOM 637 C THR A 47 0.556 1.622 9.005 1.00 0.00 C ATOM 638 O THR A 47 1.645 1.890 8.537 1.00 0.00 O ATOM 639 CB THR A 47 0.321 1.379 11.498 1.00 0.00 C ATOM 640 OG1 THR A 47 1.708 1.387 11.808 1.00 0.00 O ATOM 641 CG2 THR A 47 -0.121 -0.047 11.166 1.00 0.00 C ATOM 0 H THR A 47 -1.951 1.739 10.726 1.00 0.00 H new ATOM 0 HA THR A 47 0.594 3.238 10.377 1.00 0.00 H new ATOM 0 HB THR A 47 -0.246 1.742 12.355 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.874 0.806 12.580 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.062 -0.694 12.024 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.185 -0.052 10.928 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.444 -0.413 10.309 1.00 0.00 H new ATOM 649 N CYS A 48 -0.239 0.768 8.417 1.00 0.00 N ATOM 650 CA CYS A 48 0.196 0.109 7.148 1.00 0.00 C ATOM 651 C CYS A 48 -0.212 0.983 5.960 1.00 0.00 C ATOM 652 O CYS A 48 -0.146 0.567 4.827 1.00 0.00 O ATOM 653 CB CYS A 48 -0.475 -1.287 7.074 1.00 0.00 C ATOM 654 SG CYS A 48 -1.092 -1.870 8.679 1.00 0.00 S ATOM 0 H CYS A 48 -1.163 0.499 8.756 1.00 0.00 H new ATOM 0 HA CYS A 48 1.279 -0.013 7.121 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.303 -1.248 6.366 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.244 -2.008 6.685 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.392 -1.864 8.672 1.00 0.00 H new ATOM 659 N HIS A 49 -0.626 2.202 6.202 1.00 0.00 N ATOM 660 CA HIS A 49 -1.023 3.078 5.059 1.00 0.00 C ATOM 661 C HIS A 49 0.061 3.050 3.986 1.00 0.00 C ATOM 662 O HIS A 49 1.223 2.844 4.271 1.00 0.00 O ATOM 663 CB HIS A 49 -1.173 4.490 5.625 1.00 0.00 C ATOM 664 CG HIS A 49 -1.888 5.334 4.602 1.00 0.00 C ATOM 665 ND1 HIS A 49 -1.860 6.722 4.619 1.00 0.00 N ATOM 666 CD2 HIS A 49 -2.648 4.993 3.511 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.584 7.153 3.567 1.00 0.00 C ATOM 668 NE2 HIS A 49 -3.080 6.139 2.860 1.00 0.00 N ATOM 0 H HIS A 49 -0.705 2.623 7.128 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.953 2.740 4.602 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.735 4.467 6.559 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.195 4.915 5.852 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -1.380 7.308 5.302 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.876 3.983 3.205 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.743 8.194 3.327 1.00 0.00 H new ATOM 676 N VAL A 50 -0.304 3.268 2.754 1.00 0.00 N ATOM 677 CA VAL A 50 0.710 3.266 1.674 1.00 0.00 C ATOM 678 C VAL A 50 0.208 4.087 0.503 1.00 0.00 C ATOM 679 O VAL A 50 -0.971 4.330 0.348 1.00 0.00 O ATOM 680 CB VAL A 50 0.887 1.811 1.248 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.614 1.036 2.344 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.483 1.191 0.992 1.00 0.00 C ATOM 0 H VAL A 50 -1.262 3.447 2.452 1.00 0.00 H new ATOM 0 HA VAL A 50 1.653 3.696 2.012 1.00 0.00 H new ATOM 0 HB VAL A 50 1.480 1.768 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.738 -0.002 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.593 1.482 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.031 1.073 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.361 0.152 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.078 1.234 1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.990 1.744 0.201 1.00 0.00 H new ATOM 692 N TYR A 51 1.105 4.501 -0.319 1.00 0.00 N ATOM 693 CA TYR A 51 0.738 5.307 -1.505 1.00 0.00 C ATOM 694 C TYR A 51 1.179 4.563 -2.763 1.00 0.00 C ATOM 695 O TYR A 51 2.344 4.296 -2.966 1.00 0.00 O ATOM 696 CB TYR A 51 1.522 6.604 -1.332 1.00 0.00 C ATOM 697 CG TYR A 51 0.752 7.598 -0.475 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.537 7.300 0.006 1.00 0.00 C ATOM 699 CD2 TYR A 51 1.318 8.854 -0.204 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.243 8.251 0.755 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.604 9.806 0.533 1.00 0.00 C ATOM 702 CZ TYR A 51 -0.676 9.504 1.014 1.00 0.00 C ATOM 703 OH TYR A 51 -1.378 10.443 1.741 1.00 0.00 O ATOM 0 H TYR A 51 2.103 4.314 -0.223 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.332 5.492 -1.597 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.486 6.391 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.726 7.043 -2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.982 6.338 -0.202 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.309 9.087 -0.566 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.227 8.016 1.133 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.040 10.774 0.731 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.779 11.177 1.992 1.00 0.00 H new ATOM 713 N VAL A 52 0.254 4.208 -3.597 1.00 0.00 N ATOM 714 CA VAL A 52 0.632 3.458 -4.835 1.00 0.00 C ATOM 715 C VAL A 52 0.719 4.420 -6.041 1.00 0.00 C ATOM 716 O VAL A 52 0.073 5.448 -6.054 1.00 0.00 O ATOM 717 CB VAL A 52 -0.498 2.437 -5.043 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.147 1.493 -6.205 1.00 0.00 C ATOM 719 CG2 VAL A 52 -0.679 1.621 -3.760 1.00 0.00 C ATOM 0 H VAL A 52 -0.742 4.398 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 52 1.606 2.977 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.422 2.964 -5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.953 0.773 -6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.016 2.073 -7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.777 0.963 -5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.479 0.895 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.249 1.098 -3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.935 2.289 -2.937 1.00 0.00 H new ATOM 729 N ASN A 53 1.485 4.101 -7.068 1.00 0.00 N ATOM 730 CA ASN A 53 1.541 5.019 -8.251 1.00 0.00 C ATOM 731 C ASN A 53 0.257 4.872 -9.068 1.00 0.00 C ATOM 732 O ASN A 53 -0.181 3.776 -9.358 1.00 0.00 O ATOM 733 CB ASN A 53 2.766 4.602 -9.086 1.00 0.00 C ATOM 734 CG ASN A 53 2.750 3.104 -9.399 1.00 0.00 C ATOM 735 OD1 ASN A 53 3.653 2.608 -10.043 1.00 0.00 O ATOM 736 ND2 ASN A 53 1.765 2.358 -9.011 1.00 0.00 N ATOM 0 H ASN A 53 2.061 3.262 -7.134 1.00 0.00 H new ATOM 0 HA ASN A 53 1.628 6.062 -7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.783 5.169 -10.017 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.678 4.852 -8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.753 1.366 -9.247 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.001 2.763 -8.470 1.00 0.00 H new ATOM 743 N GLU A 54 -0.360 5.967 -9.421 1.00 0.00 N ATOM 744 CA GLU A 54 -1.635 5.906 -10.203 1.00 0.00 C ATOM 745 C GLU A 54 -1.609 4.768 -11.232 1.00 0.00 C ATOM 746 O GLU A 54 -2.638 4.247 -11.613 1.00 0.00 O ATOM 747 CB GLU A 54 -1.726 7.258 -10.908 1.00 0.00 C ATOM 748 CG GLU A 54 -0.398 7.562 -11.604 1.00 0.00 C ATOM 749 CD GLU A 54 -0.658 8.388 -12.866 1.00 0.00 C ATOM 750 OE1 GLU A 54 -1.552 8.024 -13.613 1.00 0.00 O ATOM 751 OE2 GLU A 54 0.037 9.370 -13.061 1.00 0.00 O ATOM 0 H GLU A 54 -0.036 6.909 -9.201 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.491 5.711 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.536 7.246 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.958 8.041 -10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.261 8.108 -10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.110 6.633 -11.863 1.00 0.00 H new ATOM 758 N ALA A 55 -0.452 4.388 -11.694 1.00 0.00 N ATOM 759 CA ALA A 55 -0.379 3.295 -12.708 1.00 0.00 C ATOM 760 C ALA A 55 -0.913 1.972 -12.143 1.00 0.00 C ATOM 761 O ALA A 55 -1.346 1.110 -12.882 1.00 0.00 O ATOM 762 CB ALA A 55 1.107 3.171 -13.046 1.00 0.00 C ATOM 0 H ALA A 55 0.446 4.784 -11.416 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.988 3.519 -13.584 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.247 2.385 -13.788 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.469 4.118 -13.447 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.666 2.922 -12.144 1.00 0.00 H new ATOM 768 N PHE A 56 -0.881 1.792 -10.850 1.00 0.00 N ATOM 769 CA PHE A 56 -1.386 0.509 -10.273 1.00 0.00 C ATOM 770 C PHE A 56 -2.497 0.771 -9.253 1.00 0.00 C ATOM 771 O PHE A 56 -3.186 -0.137 -8.833 1.00 0.00 O ATOM 772 CB PHE A 56 -0.162 -0.137 -9.616 1.00 0.00 C ATOM 773 CG PHE A 56 0.847 -0.463 -10.706 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.558 0.588 -11.306 1.00 0.00 C ATOM 775 CD2 PHE A 56 1.061 -1.790 -11.155 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.461 0.331 -12.340 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.974 -2.034 -12.183 1.00 0.00 C ATOM 778 CZ PHE A 56 2.667 -0.977 -12.780 1.00 0.00 C ATOM 0 H PHE A 56 -0.531 2.469 -10.173 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.825 -0.140 -11.030 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.277 0.539 -8.882 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.451 -1.043 -9.082 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.406 1.602 -10.966 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.520 -2.609 -10.704 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.001 1.146 -12.800 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.146 -3.046 -12.519 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.363 -1.173 -13.583 1.00 0.00 H new ATOM 788 N THR A 57 -2.696 2.003 -8.864 1.00 0.00 N ATOM 789 CA THR A 57 -3.790 2.299 -7.885 1.00 0.00 C ATOM 790 C THR A 57 -5.123 2.360 -8.635 1.00 0.00 C ATOM 791 O THR A 57 -6.171 2.070 -8.095 1.00 0.00 O ATOM 792 CB THR A 57 -3.490 3.672 -7.264 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.186 4.674 -7.992 1.00 0.00 O ATOM 794 CG2 THR A 57 -1.994 3.982 -7.291 1.00 0.00 C ATOM 0 H THR A 57 -2.157 2.811 -9.176 1.00 0.00 H new ATOM 0 HA THR A 57 -3.847 1.531 -7.113 1.00 0.00 H new ATOM 0 HB THR A 57 -3.817 3.656 -6.224 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.073 4.808 -7.598 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.817 4.960 -6.844 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.455 3.222 -6.726 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.642 3.985 -8.322 1.00 0.00 H new ATOM 802 N ASP A 58 -5.083 2.746 -9.882 1.00 0.00 N ATOM 803 CA ASP A 58 -6.337 2.834 -10.681 1.00 0.00 C ATOM 804 C ASP A 58 -6.783 1.431 -11.095 1.00 0.00 C ATOM 805 O ASP A 58 -7.950 1.174 -11.311 1.00 0.00 O ATOM 806 CB ASP A 58 -5.962 3.669 -11.909 1.00 0.00 C ATOM 807 CG ASP A 58 -5.141 2.818 -12.881 1.00 0.00 C ATOM 808 OD1 ASP A 58 -4.045 2.427 -12.515 1.00 0.00 O ATOM 809 OD2 ASP A 58 -5.623 2.573 -13.975 1.00 0.00 O ATOM 0 H ASP A 58 -4.233 3.005 -10.382 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.161 3.281 -10.125 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.863 4.034 -12.402 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.389 4.545 -11.604 1.00 0.00 H new ATOM 814 N LYS A 59 -5.853 0.524 -11.205 1.00 0.00 N ATOM 815 CA LYS A 59 -6.205 -0.867 -11.601 1.00 0.00 C ATOM 816 C LYS A 59 -6.724 -1.645 -10.391 1.00 0.00 C ATOM 817 O LYS A 59 -7.787 -2.232 -10.427 1.00 0.00 O ATOM 818 CB LYS A 59 -4.893 -1.470 -12.096 1.00 0.00 C ATOM 819 CG LYS A 59 -4.381 -0.669 -13.294 1.00 0.00 C ATOM 820 CD LYS A 59 -5.316 -0.878 -14.487 1.00 0.00 C ATOM 821 CE LYS A 59 -4.492 -0.981 -15.771 1.00 0.00 C ATOM 822 NZ LYS A 59 -3.645 0.244 -15.784 1.00 0.00 N ATOM 0 H LYS A 59 -4.860 0.687 -11.037 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.988 -0.899 -12.359 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.152 -1.461 -11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.044 -2.512 -12.380 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.329 0.390 -13.041 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.370 -0.986 -13.551 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.904 -1.785 -14.347 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.020 -0.049 -14.560 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.881 -1.884 -15.777 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.135 -1.026 -16.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.510 0.562 -16.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.112 0.995 -15.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.720 0.031 -15.359 1.00 0.00 H new ATOM 836 N VAL A 60 -5.978 -1.648 -9.319 1.00 0.00 N ATOM 837 CA VAL A 60 -6.414 -2.376 -8.104 1.00 0.00 C ATOM 838 C VAL A 60 -7.912 -2.176 -7.869 1.00 0.00 C ATOM 839 O VAL A 60 -8.479 -1.180 -8.276 1.00 0.00 O ATOM 840 CB VAL A 60 -5.608 -1.739 -6.973 1.00 0.00 C ATOM 841 CG1 VAL A 60 -4.156 -2.211 -7.036 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.651 -0.216 -7.107 1.00 0.00 C ATOM 0 H VAL A 60 -5.079 -1.172 -9.237 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.251 -3.451 -8.181 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.042 -2.036 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.589 -1.752 -6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.121 -3.296 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.721 -1.922 -7.993 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.076 0.237 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.223 0.077 -8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.685 0.125 -7.051 1.00 0.00 H new ATOM 852 N PRO A 61 -8.500 -3.131 -7.209 1.00 0.00 N ATOM 853 CA PRO A 61 -9.949 -3.072 -6.897 1.00 0.00 C ATOM 854 C PRO A 61 -10.263 -1.934 -5.942 1.00 0.00 C ATOM 855 O PRO A 61 -9.394 -1.316 -5.360 1.00 0.00 O ATOM 856 CB PRO A 61 -10.237 -4.425 -6.256 1.00 0.00 C ATOM 857 CG PRO A 61 -8.915 -4.882 -5.730 1.00 0.00 C ATOM 858 CD PRO A 61 -7.880 -4.353 -6.688 1.00 0.00 C ATOM 0 HA PRO A 61 -10.560 -2.885 -7.780 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.973 -4.336 -5.456 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.640 -5.130 -6.983 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.744 -4.503 -4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.873 -5.970 -5.672 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.936 -4.143 -6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.666 -5.067 -7.484 1.00 0.00 H new ATOM 866 N ALA A 62 -11.517 -1.659 -5.802 1.00 0.00 N ATOM 867 CA ALA A 62 -11.970 -0.569 -4.920 1.00 0.00 C ATOM 868 C ALA A 62 -11.991 -1.035 -3.466 1.00 0.00 C ATOM 869 O ALA A 62 -12.595 -2.033 -3.127 1.00 0.00 O ATOM 870 CB ALA A 62 -13.372 -0.272 -5.428 1.00 0.00 C ATOM 0 H ALA A 62 -12.268 -2.160 -6.277 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.322 0.307 -4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.810 0.533 -4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.323 0.030 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.989 -1.166 -5.337 1.00 0.00 H new ATOM 876 N ALA A 63 -11.331 -0.317 -2.612 1.00 0.00 N ATOM 877 CA ALA A 63 -11.297 -0.705 -1.173 1.00 0.00 C ATOM 878 C ALA A 63 -12.680 -0.501 -0.541 1.00 0.00 C ATOM 879 O ALA A 63 -13.572 0.059 -1.149 1.00 0.00 O ATOM 880 CB ALA A 63 -10.268 0.231 -0.538 1.00 0.00 C ATOM 0 H ALA A 63 -10.809 0.528 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.035 -1.753 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.183 0.010 0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.300 0.086 -1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.587 1.265 -0.669 1.00 0.00 H new ATOM 886 N ASN A 64 -12.872 -0.962 0.666 1.00 0.00 N ATOM 887 CA ASN A 64 -14.206 -0.803 1.320 1.00 0.00 C ATOM 888 C ASN A 64 -14.227 0.419 2.240 1.00 0.00 C ATOM 889 O ASN A 64 -13.402 1.304 2.139 1.00 0.00 O ATOM 890 CB ASN A 64 -14.405 -2.080 2.137 1.00 0.00 C ATOM 891 CG ASN A 64 -13.188 -2.306 3.038 1.00 0.00 C ATOM 892 OD1 ASN A 64 -12.331 -1.451 3.146 1.00 0.00 O ATOM 893 ND2 ASN A 64 -13.077 -3.429 3.694 1.00 0.00 N ATOM 0 H ASN A 64 -12.167 -1.440 1.227 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.996 -0.652 0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.308 -2.000 2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.541 -2.932 1.471 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.271 -3.589 4.298 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.797 -4.146 3.603 1.00 0.00 H new ATOM 900 N GLU A 65 -15.176 0.469 3.137 1.00 0.00 N ATOM 901 CA GLU A 65 -15.275 1.625 4.071 1.00 0.00 C ATOM 902 C GLU A 65 -14.168 1.558 5.129 1.00 0.00 C ATOM 903 O GLU A 65 -13.773 2.561 5.689 1.00 0.00 O ATOM 904 CB GLU A 65 -16.657 1.482 4.716 1.00 0.00 C ATOM 905 CG GLU A 65 -16.612 0.416 5.815 1.00 0.00 C ATOM 906 CD GLU A 65 -16.359 1.087 7.167 1.00 0.00 C ATOM 907 OE1 GLU A 65 -17.323 1.487 7.797 1.00 0.00 O ATOM 908 OE2 GLU A 65 -15.204 1.191 7.547 1.00 0.00 O ATOM 0 H GLU A 65 -15.891 -0.247 3.262 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.156 2.582 3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.972 2.437 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.394 1.207 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -17.552 -0.135 5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -15.825 -0.307 5.603 1.00 0.00 H new ATOM 915 N ARG A 66 -13.661 0.387 5.406 1.00 0.00 N ATOM 916 CA ARG A 66 -12.579 0.275 6.425 1.00 0.00 C ATOM 917 C ARG A 66 -11.336 1.013 5.929 1.00 0.00 C ATOM 918 O ARG A 66 -10.698 1.740 6.664 1.00 0.00 O ATOM 919 CB ARG A 66 -12.305 -1.223 6.559 1.00 0.00 C ATOM 920 CG ARG A 66 -12.591 -1.664 7.996 1.00 0.00 C ATOM 921 CD ARG A 66 -11.949 -3.030 8.251 1.00 0.00 C ATOM 922 NE ARG A 66 -12.524 -3.926 7.210 1.00 0.00 N ATOM 923 CZ ARG A 66 -13.310 -4.908 7.557 1.00 0.00 C ATOM 924 NH1 ARG A 66 -12.805 -6.003 8.053 1.00 0.00 N ATOM 925 NH2 ARG A 66 -14.602 -4.794 7.407 1.00 0.00 N ATOM 0 H ARG A 66 -13.947 -0.491 4.974 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.857 0.714 7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -12.931 -1.782 5.864 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.269 -1.439 6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.197 -0.929 8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.667 -1.720 8.163 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.863 -2.977 8.170 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.177 -3.392 9.253 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.304 -3.772 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.796 -6.092 8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.419 -6.771 8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.997 -3.937 7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.217 -5.562 7.678 1.00 0.00 H new ATOM 939 N GLU A 67 -11.005 0.847 4.679 1.00 0.00 N ATOM 940 CA GLU A 67 -9.817 1.551 4.117 1.00 0.00 C ATOM 941 C GLU A 67 -10.080 3.061 4.094 1.00 0.00 C ATOM 942 O GLU A 67 -9.220 3.842 3.770 1.00 0.00 O ATOM 943 CB GLU A 67 -9.680 1.002 2.691 1.00 0.00 C ATOM 944 CG GLU A 67 -8.944 2.010 1.799 1.00 0.00 C ATOM 945 CD GLU A 67 -7.487 2.124 2.251 1.00 0.00 C ATOM 946 OE1 GLU A 67 -6.695 1.288 1.849 1.00 0.00 O ATOM 947 OE2 GLU A 67 -7.188 3.044 2.991 1.00 0.00 O ATOM 0 H GLU A 67 -11.507 0.252 4.020 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.911 1.391 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.136 0.057 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.667 0.794 2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.989 1.691 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.430 2.984 1.855 1.00 0.00 H new ATOM 954 N ILE A 68 -11.271 3.480 4.405 1.00 0.00 N ATOM 955 CA ILE A 68 -11.566 4.940 4.379 1.00 0.00 C ATOM 956 C ILE A 68 -11.325 5.576 5.759 1.00 0.00 C ATOM 957 O ILE A 68 -10.999 6.742 5.860 1.00 0.00 O ATOM 958 CB ILE A 68 -13.041 5.030 3.962 1.00 0.00 C ATOM 959 CG1 ILE A 68 -13.138 5.023 2.434 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.670 6.320 4.497 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.256 3.909 1.865 1.00 0.00 C ATOM 0 H ILE A 68 -12.051 2.881 4.675 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.918 5.483 3.691 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.575 4.175 4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -14.173 4.873 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.824 5.988 2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.716 6.368 4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.608 6.331 5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.135 7.180 4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.328 3.908 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.220 4.078 2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.591 2.947 2.252 1.00 0.00 H new ATOM 973 N GLY A 69 -11.507 4.834 6.821 1.00 0.00 N ATOM 974 CA GLY A 69 -11.311 5.427 8.179 1.00 0.00 C ATOM 975 C GLY A 69 -9.840 5.393 8.579 1.00 0.00 C ATOM 976 O GLY A 69 -9.213 6.422 8.738 1.00 0.00 O ATOM 0 H GLY A 69 -11.781 3.851 6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.671 6.456 8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.904 4.877 8.910 1.00 0.00 H new ATOM 980 N MET A 70 -9.272 4.233 8.745 1.00 0.00 N ATOM 981 CA MET A 70 -7.836 4.187 9.135 1.00 0.00 C ATOM 982 C MET A 70 -7.063 5.105 8.219 1.00 0.00 C ATOM 983 O MET A 70 -6.190 5.852 8.617 1.00 0.00 O ATOM 984 CB MET A 70 -7.374 2.727 8.868 1.00 0.00 C ATOM 985 CG MET A 70 -6.201 2.689 7.857 1.00 0.00 C ATOM 986 SD MET A 70 -6.817 2.286 6.191 1.00 0.00 S ATOM 987 CE MET A 70 -7.724 0.774 6.598 1.00 0.00 C ATOM 0 H MET A 70 -9.730 3.329 8.630 1.00 0.00 H new ATOM 0 HA MET A 70 -7.681 4.486 10.172 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.066 2.263 9.805 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.209 2.143 8.482 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.694 3.654 7.841 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.466 1.947 8.170 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.461 -0.010 5.888 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.463 0.453 7.606 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.795 0.967 6.545 1.00 0.00 H new ATOM 997 N LEU A 71 -7.347 4.962 6.972 1.00 0.00 N ATOM 998 CA LEU A 71 -6.619 5.708 5.944 1.00 0.00 C ATOM 999 C LEU A 71 -6.738 7.206 6.221 1.00 0.00 C ATOM 1000 O LEU A 71 -5.890 7.994 5.853 1.00 0.00 O ATOM 1001 CB LEU A 71 -7.319 5.268 4.666 1.00 0.00 C ATOM 1002 CG LEU A 71 -6.412 5.445 3.441 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -7.279 5.583 2.193 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -5.554 6.700 3.575 1.00 0.00 C ATOM 0 H LEU A 71 -8.074 4.342 6.615 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.546 5.520 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.615 4.223 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.232 5.848 4.531 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.760 4.575 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.641 5.709 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.887 4.687 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.929 6.452 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.920 6.803 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.199 7.574 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.929 6.620 4.465 1.00 0.00 H new ATOM 1016 N GLU A 72 -7.780 7.595 6.903 1.00 0.00 N ATOM 1017 CA GLU A 72 -7.959 9.030 7.248 1.00 0.00 C ATOM 1018 C GLU A 72 -7.245 9.317 8.576 1.00 0.00 C ATOM 1019 O GLU A 72 -6.673 10.372 8.768 1.00 0.00 O ATOM 1020 CB GLU A 72 -9.484 9.219 7.361 1.00 0.00 C ATOM 1021 CG GLU A 72 -9.845 10.059 8.596 1.00 0.00 C ATOM 1022 CD GLU A 72 -11.114 10.864 8.312 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -12.191 10.324 8.504 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -10.987 12.009 7.908 1.00 0.00 O ATOM 0 H GLU A 72 -8.518 6.975 7.237 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.538 9.714 6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.861 9.707 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.971 8.246 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.999 9.410 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.023 10.731 8.845 1.00 0.00 H new ATOM 1031 N CYS A 73 -7.271 8.384 9.491 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.590 8.613 10.795 1.00 0.00 C ATOM 1033 C CYS A 73 -5.175 9.118 10.529 1.00 0.00 C ATOM 1034 O CYS A 73 -4.629 9.907 11.274 1.00 0.00 O ATOM 1035 CB CYS A 73 -6.560 7.246 11.479 1.00 0.00 C ATOM 1036 SG CYS A 73 -7.540 7.308 12.998 1.00 0.00 S ATOM 0 H CYS A 73 -7.732 7.479 9.391 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.095 9.352 11.417 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -6.957 6.484 10.809 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.532 6.965 11.708 1.00 0.00 H new ATOM 0 HG CYS A 73 -7.516 6.145 13.578 1.00 0.00 H new ATOM 1042 N VAL A 74 -4.592 8.681 9.450 1.00 0.00 N ATOM 1043 CA VAL A 74 -3.222 9.146 9.102 1.00 0.00 C ATOM 1044 C VAL A 74 -3.324 10.398 8.234 1.00 0.00 C ATOM 1045 O VAL A 74 -2.971 10.392 7.072 1.00 0.00 O ATOM 1046 CB VAL A 74 -2.581 8.000 8.321 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -2.291 6.835 9.267 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -3.530 7.534 7.214 1.00 0.00 C ATOM 0 H VAL A 74 -5.006 8.020 8.792 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.631 9.399 9.982 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.649 8.347 7.875 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.834 6.018 8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.610 7.164 10.052 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.222 6.491 9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.069 6.717 6.660 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.465 7.190 7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.733 8.363 6.536 1.00 0.00 H new ATOM 1058 N THR A 75 -3.825 11.463 8.792 1.00 0.00 N ATOM 1059 CA THR A 75 -3.984 12.729 8.017 1.00 0.00 C ATOM 1060 C THR A 75 -2.695 13.086 7.270 1.00 0.00 C ATOM 1061 O THR A 75 -1.882 13.857 7.741 1.00 0.00 O ATOM 1062 CB THR A 75 -4.281 13.786 9.078 1.00 0.00 C ATOM 1063 OG1 THR A 75 -4.348 15.065 8.464 1.00 0.00 O ATOM 1064 CG2 THR A 75 -3.165 13.776 10.126 1.00 0.00 C ATOM 0 H THR A 75 -4.135 11.513 9.762 1.00 0.00 H new ATOM 0 HA THR A 75 -4.767 12.649 7.262 1.00 0.00 H new ATOM 0 HB THR A 75 -5.234 13.567 9.559 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.540 15.744 9.144 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.373 14.529 10.886 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.114 12.793 10.594 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.212 13.999 9.645 1.00 0.00 H new ATOM 1072 N ALA A 76 -2.517 12.543 6.097 1.00 0.00 N ATOM 1073 CA ALA A 76 -1.299 12.856 5.296 1.00 0.00 C ATOM 1074 C ALA A 76 -1.718 13.240 3.878 1.00 0.00 C ATOM 1075 O ALA A 76 -1.493 12.505 2.941 1.00 0.00 O ATOM 1076 CB ALA A 76 -0.485 11.562 5.277 1.00 0.00 C ATOM 0 H ALA A 76 -3.167 11.892 5.656 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.724 13.684 5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.429 11.716 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.230 11.278 6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.073 10.769 4.816 1.00 0.00 H new ATOM 1082 N GLU A 77 -2.350 14.375 3.727 1.00 0.00 N ATOM 1083 CA GLU A 77 -2.818 14.810 2.376 1.00 0.00 C ATOM 1084 C GLU A 77 -3.362 13.613 1.605 1.00 0.00 C ATOM 1085 O GLU A 77 -3.065 13.413 0.444 1.00 0.00 O ATOM 1086 CB GLU A 77 -1.598 15.452 1.693 1.00 0.00 C ATOM 1087 CG GLU A 77 -0.752 14.406 0.954 1.00 0.00 C ATOM 1088 CD GLU A 77 -0.828 14.664 -0.553 1.00 0.00 C ATOM 1089 OE1 GLU A 77 -0.194 15.603 -1.005 1.00 0.00 O ATOM 1090 OE2 GLU A 77 -1.520 13.920 -1.228 1.00 0.00 O ATOM 0 H GLU A 77 -2.563 15.023 4.485 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.636 15.529 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.933 16.214 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.985 15.956 2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.283 14.456 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.114 13.403 1.181 1.00 0.00 H new ATOM 1097 N LEU A 78 -4.173 12.836 2.271 1.00 0.00 N ATOM 1098 CA LEU A 78 -4.804 11.634 1.654 1.00 0.00 C ATOM 1099 C LEU A 78 -4.882 11.758 0.130 1.00 0.00 C ATOM 1100 O LEU A 78 -5.250 12.787 -0.398 1.00 0.00 O ATOM 1101 CB LEU A 78 -6.201 11.634 2.255 1.00 0.00 C ATOM 1102 CG LEU A 78 -7.016 10.470 1.686 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -6.157 9.203 1.644 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.227 10.224 2.582 1.00 0.00 C ATOM 0 H LEU A 78 -4.431 12.990 3.246 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.241 10.720 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.139 11.549 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.700 12.579 2.037 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.342 10.717 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.744 8.379 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.286 9.375 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.829 8.952 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.813 9.396 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.890 9.978 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.844 11.122 2.615 1.00 0.00 H new ATOM 1116 N LYS A 79 -4.533 10.721 -0.578 1.00 0.00 N ATOM 1117 CA LYS A 79 -4.588 10.791 -2.065 1.00 0.00 C ATOM 1118 C LYS A 79 -5.720 9.905 -2.582 1.00 0.00 C ATOM 1119 O LYS A 79 -6.261 9.103 -1.847 1.00 0.00 O ATOM 1120 CB LYS A 79 -3.233 10.259 -2.545 1.00 0.00 C ATOM 1121 CG LYS A 79 -2.127 10.714 -1.590 1.00 0.00 C ATOM 1122 CD LYS A 79 -0.770 10.517 -2.255 1.00 0.00 C ATOM 1123 CE LYS A 79 -0.100 11.873 -2.412 1.00 0.00 C ATOM 1124 NZ LYS A 79 0.930 11.679 -3.470 1.00 0.00 N ATOM 0 H LYS A 79 -4.213 9.832 -0.194 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.775 11.803 -2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.257 9.170 -2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.027 10.620 -3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.267 11.763 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.176 10.144 -0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.147 9.856 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.892 10.041 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.821 12.638 -2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.353 12.199 -1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.434 12.574 -3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.607 10.951 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.469 11.376 -4.352 1.00 0.00 H new ATOM 1138 N PRO A 80 -6.032 10.065 -3.837 1.00 0.00 N ATOM 1139 CA PRO A 80 -7.101 9.249 -4.456 1.00 0.00 C ATOM 1140 C PRO A 80 -6.642 7.795 -4.544 1.00 0.00 C ATOM 1141 O PRO A 80 -7.432 6.873 -4.507 1.00 0.00 O ATOM 1142 CB PRO A 80 -7.264 9.862 -5.844 1.00 0.00 C ATOM 1143 CG PRO A 80 -5.957 10.528 -6.122 1.00 0.00 C ATOM 1144 CD PRO A 80 -5.428 10.999 -4.794 1.00 0.00 C ATOM 0 HA PRO A 80 -8.036 9.248 -3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.486 9.099 -6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.086 10.578 -5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.261 9.835 -6.593 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.086 11.366 -6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.339 10.962 -4.759 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.719 12.029 -4.588 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.359 7.594 -4.655 1.00 0.00 N ATOM 1153 CA ASN A 81 -4.824 6.207 -4.740 1.00 0.00 C ATOM 1154 C ASN A 81 -4.339 5.730 -3.367 1.00 0.00 C ATOM 1155 O ASN A 81 -4.064 4.563 -3.174 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.653 6.287 -5.718 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.710 7.418 -5.310 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -3.143 8.516 -5.023 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.425 7.193 -5.271 1.00 0.00 N ATOM 0 H ASN A 81 -4.656 8.332 -4.691 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.585 5.500 -5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.114 5.340 -5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.023 6.458 -6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.785 7.939 -5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.061 6.271 -5.512 1.00 0.00 H new ATOM 1166 N SER A 82 -4.224 6.614 -2.408 1.00 0.00 N ATOM 1167 CA SER A 82 -3.749 6.179 -1.062 1.00 0.00 C ATOM 1168 C SER A 82 -4.522 4.950 -0.589 1.00 0.00 C ATOM 1169 O SER A 82 -5.654 4.728 -0.969 1.00 0.00 O ATOM 1170 CB SER A 82 -4.068 7.346 -0.137 1.00 0.00 C ATOM 1171 OG SER A 82 -3.406 8.511 -0.601 1.00 0.00 O ATOM 0 H SER A 82 -4.436 7.608 -2.498 1.00 0.00 H new ATOM 0 HA SER A 82 -2.690 5.920 -1.077 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.144 7.515 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.751 7.115 0.880 1.00 0.00 H new ATOM 0 HG SER A 82 -2.442 8.342 -0.650 1.00 0.00 H new ATOM 1177 N ARG A 83 -3.922 4.160 0.254 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.622 2.955 0.773 1.00 0.00 C ATOM 1179 C ARG A 83 -3.757 2.257 1.825 1.00 0.00 C ATOM 1180 O ARG A 83 -2.554 2.417 1.862 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.825 2.044 -0.442 1.00 0.00 C ATOM 1182 CG ARG A 83 -6.322 1.789 -0.647 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.677 1.948 -2.128 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.650 0.565 -2.682 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.654 0.126 -3.390 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -8.412 0.969 -4.039 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -7.901 -1.153 -3.449 1.00 0.00 N ATOM 0 H ARG A 83 -2.975 4.297 0.607 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.569 3.207 1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.399 2.507 -1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.302 1.100 -0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.579 0.786 -0.308 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.905 2.488 -0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.660 2.403 -2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.961 2.592 -2.639 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.846 -0.039 -2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.219 1.969 -3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.197 0.627 -4.593 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.309 -1.811 -2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.686 -1.496 -4.003 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.364 1.472 2.667 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.591 0.743 3.711 1.00 0.00 C ATOM 1203 C LEU A 84 -2.865 -0.442 3.087 1.00 0.00 C ATOM 1204 O LEU A 84 -3.404 -1.125 2.240 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.636 0.212 4.696 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.311 0.676 6.122 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -5.204 -0.074 7.109 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -2.867 0.345 6.454 1.00 0.00 C ATOM 0 H LEU A 84 -5.370 1.302 2.678 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.853 1.390 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.627 0.564 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.661 -0.877 4.658 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.476 1.751 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.978 0.252 8.124 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.250 0.136 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.022 -1.145 7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.641 0.677 7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.715 -0.732 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.206 0.852 5.751 1.00 0.00 H new ATOM 1220 N SER A 85 -1.662 -0.727 3.529 1.00 0.00 N ATOM 1221 CA SER A 85 -0.948 -1.908 2.986 1.00 0.00 C ATOM 1222 C SER A 85 -1.942 -3.079 2.940 1.00 0.00 C ATOM 1223 O SER A 85 -1.816 -4.012 2.174 1.00 0.00 O ATOM 1224 CB SER A 85 0.169 -2.215 3.978 1.00 0.00 C ATOM 1225 OG SER A 85 -0.359 -2.953 5.071 1.00 0.00 O ATOM 0 H SER A 85 -1.155 -0.194 4.235 1.00 0.00 H new ATOM 0 HA SER A 85 -0.547 -1.739 1.987 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.959 -2.785 3.488 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.619 -1.288 4.334 1.00 0.00 H new ATOM 0 HG SER A 85 0.335 -3.543 5.433 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.919 -3.009 3.809 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.965 -4.080 3.931 1.00 0.00 C ATOM 1233 C CYS A 86 -5.199 -3.774 3.075 1.00 0.00 C ATOM 1234 O CYS A 86 -6.297 -4.163 3.419 1.00 0.00 O ATOM 1235 CB CYS A 86 -4.391 -4.127 5.430 1.00 0.00 C ATOM 1236 SG CYS A 86 -3.978 -2.604 6.334 1.00 0.00 S ATOM 0 H CYS A 86 -3.041 -2.233 4.459 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.554 -5.029 3.585 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.466 -4.299 5.491 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.904 -4.974 5.914 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.576 -2.906 7.533 1.00 0.00 H new ATOM 1241 N GLN A 87 -5.057 -3.087 1.976 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.270 -2.793 1.161 1.00 0.00 C ATOM 1243 C GLN A 87 -6.119 -3.221 -0.292 1.00 0.00 C ATOM 1244 O GLN A 87 -7.056 -3.684 -0.912 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.475 -1.285 1.247 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.830 -0.938 0.629 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.925 -1.752 1.320 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -9.979 -1.977 0.760 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -8.716 -2.209 2.525 1.00 0.00 N ATOM 0 H GLN A 87 -4.176 -2.723 1.612 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.123 -3.353 1.546 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.439 -0.957 2.286 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.675 -0.764 0.720 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.030 0.128 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.821 -1.153 -0.440 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.831 -2.020 2.996 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.438 -2.755 2.996 1.00 0.00 H new ATOM 1258 N ILE A 88 -4.969 -3.049 -0.853 1.00 0.00 N ATOM 1259 CA ILE A 88 -4.799 -3.429 -2.286 1.00 0.00 C ATOM 1260 C ILE A 88 -4.287 -4.860 -2.411 1.00 0.00 C ATOM 1261 O ILE A 88 -3.466 -5.316 -1.641 1.00 0.00 O ATOM 1262 CB ILE A 88 -3.786 -2.462 -2.922 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.488 -1.265 -2.005 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.358 -1.941 -4.240 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -2.700 -0.207 -2.784 1.00 0.00 C ATOM 0 H ILE A 88 -4.141 -2.667 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.761 -3.369 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.856 -3.006 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.419 -0.839 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.917 -1.592 -1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.647 -1.254 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.540 -2.778 -4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.295 -1.418 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.489 0.642 -2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.762 -0.637 -3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.288 0.128 -3.639 1.00 0.00 H new ATOM 1277 N ILE A 89 -4.763 -5.556 -3.398 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.319 -6.952 -3.628 1.00 0.00 C ATOM 1279 C ILE A 89 -3.481 -6.998 -4.904 1.00 0.00 C ATOM 1280 O ILE A 89 -3.444 -6.047 -5.660 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.609 -7.752 -3.798 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.287 -7.940 -2.437 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.284 -9.115 -4.399 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.260 -8.423 -1.411 1.00 0.00 C ATOM 0 H ILE A 89 -5.452 -5.211 -4.066 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.709 -7.349 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.284 -7.211 -4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.730 -7.000 -2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.099 -8.663 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.204 -9.687 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.809 -8.980 -5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.607 -9.653 -3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.746 -8.556 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.838 -9.373 -1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.463 -7.685 -1.318 1.00 0.00 H new ATOM 1296 N MET A 90 -2.804 -8.079 -5.158 1.00 0.00 N ATOM 1297 CA MET A 90 -1.979 -8.141 -6.396 1.00 0.00 C ATOM 1298 C MET A 90 -2.580 -9.111 -7.410 1.00 0.00 C ATOM 1299 O MET A 90 -2.569 -10.310 -7.221 1.00 0.00 O ATOM 1300 CB MET A 90 -0.610 -8.629 -5.940 1.00 0.00 C ATOM 1301 CG MET A 90 0.466 -7.942 -6.777 1.00 0.00 C ATOM 1302 SD MET A 90 0.537 -6.190 -6.339 1.00 0.00 S ATOM 1303 CE MET A 90 0.304 -5.545 -8.011 1.00 0.00 C ATOM 0 H MET A 90 -2.784 -8.913 -4.572 1.00 0.00 H new ATOM 0 HA MET A 90 -1.927 -7.171 -6.891 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.464 -8.407 -4.883 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.540 -9.711 -6.051 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.434 -8.412 -6.602 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.244 -8.054 -7.838 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.325 -4.656 -7.973 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.272 -5.287 -8.440 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.176 -6.303 -8.630 1.00 0.00 H new ATOM 1313 N THR A 91 -3.092 -8.599 -8.494 1.00 0.00 N ATOM 1314 CA THR A 91 -3.682 -9.489 -9.533 1.00 0.00 C ATOM 1315 C THR A 91 -2.603 -9.892 -10.543 1.00 0.00 C ATOM 1316 O THR A 91 -1.540 -9.304 -10.582 1.00 0.00 O ATOM 1317 CB THR A 91 -4.767 -8.647 -10.202 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.440 -7.271 -10.068 1.00 0.00 O ATOM 1319 CG2 THR A 91 -6.112 -8.921 -9.530 1.00 0.00 C ATOM 0 H THR A 91 -3.128 -7.602 -8.706 1.00 0.00 H new ATOM 0 HA THR A 91 -4.088 -10.411 -9.117 1.00 0.00 H new ATOM 0 HB THR A 91 -4.833 -8.906 -11.259 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.958 -6.882 -9.333 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.886 -8.320 -10.007 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.360 -9.978 -9.629 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.051 -8.661 -8.473 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.911 -10.889 -11.325 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.952 -11.382 -12.344 1.00 0.00 C ATOM 1329 C PRO A 92 -1.839 -10.396 -13.510 1.00 0.00 C ATOM 1330 O PRO A 92 -1.019 -10.558 -14.392 1.00 0.00 O ATOM 1331 CB PRO A 92 -2.567 -12.703 -12.802 1.00 0.00 C ATOM 1332 CG PRO A 92 -4.028 -12.573 -12.513 1.00 0.00 C ATOM 1333 CD PRO A 92 -4.169 -11.643 -11.335 1.00 0.00 C ATOM 0 HA PRO A 92 -0.940 -11.498 -11.955 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.389 -12.874 -13.864 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.133 -13.547 -12.266 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.558 -12.179 -13.380 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.464 -13.547 -12.289 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.029 -10.983 -11.448 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.311 -12.195 -10.406 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.651 -9.374 -13.524 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.579 -8.383 -14.638 1.00 0.00 C ATOM 1343 C GLU A 93 -2.027 -7.046 -14.130 1.00 0.00 C ATOM 1344 O GLU A 93 -1.414 -6.298 -14.864 1.00 0.00 O ATOM 1345 CB GLU A 93 -4.022 -8.220 -15.124 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.955 -8.049 -13.924 1.00 0.00 C ATOM 1347 CD GLU A 93 -6.101 -7.108 -14.299 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -6.192 -6.750 -15.461 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -6.868 -6.761 -13.416 1.00 0.00 O ATOM 0 H GLU A 93 -3.359 -9.182 -12.815 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.916 -8.714 -15.437 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.098 -7.355 -15.782 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.320 -9.091 -15.707 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.351 -9.017 -13.617 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.403 -7.646 -13.075 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.239 -6.743 -12.878 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.728 -5.455 -12.321 1.00 0.00 C ATOM 1358 C LEU A 94 -0.372 -5.667 -11.684 1.00 0.00 C ATOM 1359 O LEU A 94 -0.164 -5.400 -10.520 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.749 -5.058 -11.273 1.00 0.00 C ATOM 1361 CG LEU A 94 -4.151 -5.181 -11.866 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -5.126 -4.378 -11.009 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -4.145 -4.641 -13.304 1.00 0.00 C ATOM 0 H LEU A 94 -2.744 -7.331 -12.215 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.604 -4.689 -13.086 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.655 -5.698 -10.396 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.569 -4.035 -10.942 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.460 -6.226 -11.881 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.130 -4.461 -11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.122 -4.768 -9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.823 -3.331 -10.997 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.145 -4.728 -13.729 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.843 -3.594 -13.298 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.443 -5.218 -13.906 1.00 0.00 H new ATOM 1375 N ASP A 95 0.539 -6.180 -12.435 1.00 0.00 N ATOM 1376 CA ASP A 95 1.882 -6.456 -11.881 1.00 0.00 C ATOM 1377 C ASP A 95 2.898 -5.382 -12.261 1.00 0.00 C ATOM 1378 O ASP A 95 2.821 -4.776 -13.311 1.00 0.00 O ATOM 1379 CB ASP A 95 2.264 -7.799 -12.489 1.00 0.00 C ATOM 1380 CG ASP A 95 2.152 -7.721 -14.012 1.00 0.00 C ATOM 1381 OD1 ASP A 95 3.092 -7.252 -14.632 1.00 0.00 O ATOM 1382 OD2 ASP A 95 1.127 -8.130 -14.533 1.00 0.00 O ATOM 0 H ASP A 95 0.415 -6.424 -13.418 1.00 0.00 H new ATOM 0 HA ASP A 95 1.873 -6.465 -10.791 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.282 -8.064 -12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.611 -8.583 -12.106 1.00 0.00 H new ATOM 1387 N GLY A 96 3.857 -5.153 -11.399 1.00 0.00 N ATOM 1388 CA GLY A 96 4.889 -4.115 -11.685 1.00 0.00 C ATOM 1389 C GLY A 96 4.452 -2.819 -11.026 1.00 0.00 C ATOM 1390 O GLY A 96 4.665 -1.744 -11.542 1.00 0.00 O ATOM 0 H GLY A 96 3.968 -5.641 -10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.860 -4.428 -11.301 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.001 -3.976 -12.760 1.00 0.00 H new ATOM 1394 N ILE A 97 3.812 -2.920 -9.903 1.00 0.00 N ATOM 1395 CA ILE A 97 3.297 -1.696 -9.230 1.00 0.00 C ATOM 1396 C ILE A 97 4.343 -1.000 -8.375 1.00 0.00 C ATOM 1397 O ILE A 97 5.301 -1.590 -7.915 1.00 0.00 O ATOM 1398 CB ILE A 97 2.151 -2.179 -8.345 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.713 -1.042 -7.424 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.619 -3.356 -7.495 1.00 0.00 C ATOM 1401 CD1 ILE A 97 0.298 -1.316 -6.929 1.00 0.00 C ATOM 0 H ILE A 97 3.621 -3.797 -9.418 1.00 0.00 H new ATOM 0 HA ILE A 97 2.991 -0.961 -9.975 1.00 0.00 H new ATOM 0 HB ILE A 97 1.317 -2.492 -8.973 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.397 -0.958 -6.579 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.747 -0.092 -7.957 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.799 -3.698 -6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.941 -4.169 -8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.453 -3.042 -6.867 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.020 -0.507 -6.271 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.380 -1.379 -7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.280 -2.258 -6.381 1.00 0.00 H new ATOM 1413 N VAL A 98 4.129 0.264 -8.141 1.00 0.00 N ATOM 1414 CA VAL A 98 5.068 1.044 -7.288 1.00 0.00 C ATOM 1415 C VAL A 98 4.322 1.552 -6.052 1.00 0.00 C ATOM 1416 O VAL A 98 3.308 2.212 -6.162 1.00 0.00 O ATOM 1417 CB VAL A 98 5.512 2.222 -8.153 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.658 2.961 -7.458 1.00 0.00 C ATOM 1419 CG2 VAL A 98 5.990 1.705 -9.512 1.00 0.00 C ATOM 0 H VAL A 98 3.338 0.794 -8.507 1.00 0.00 H new ATOM 0 HA VAL A 98 5.916 0.450 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 98 4.674 2.903 -8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.976 3.802 -8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.319 3.329 -6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.496 2.279 -7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.307 2.545 -10.130 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.829 1.024 -9.368 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.175 1.177 -10.008 1.00 0.00 H new ATOM 1429 N VAL A 99 4.803 1.256 -4.877 1.00 0.00 N ATOM 1430 CA VAL A 99 4.093 1.740 -3.657 1.00 0.00 C ATOM 1431 C VAL A 99 4.839 2.896 -3.053 1.00 0.00 C ATOM 1432 O VAL A 99 5.872 3.318 -3.526 1.00 0.00 O ATOM 1433 CB VAL A 99 4.122 0.620 -2.618 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.898 0.714 -1.711 1.00 0.00 C ATOM 1435 CG2 VAL A 99 4.146 -0.727 -3.285 1.00 0.00 C ATOM 0 H VAL A 99 5.646 0.707 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 99 3.079 2.035 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 99 5.028 0.734 -2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.929 -0.089 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.897 1.676 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.993 0.622 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.166 -1.509 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.255 -0.844 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.034 -0.807 -3.912 1.00 0.00 H new ATOM 1445 N ASP A 100 4.336 3.363 -1.970 1.00 0.00 N ATOM 1446 CA ASP A 100 5.016 4.453 -1.252 1.00 0.00 C ATOM 1447 C ASP A 100 4.489 4.521 0.175 1.00 0.00 C ATOM 1448 O ASP A 100 3.331 4.278 0.426 1.00 0.00 O ATOM 1449 CB ASP A 100 4.698 5.743 -2.010 1.00 0.00 C ATOM 1450 CG ASP A 100 5.575 5.839 -3.259 1.00 0.00 C ATOM 1451 OD1 ASP A 100 6.780 5.945 -3.108 1.00 0.00 O ATOM 1452 OD2 ASP A 100 5.024 5.805 -4.348 1.00 0.00 O ATOM 0 H ASP A 100 3.471 3.035 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 100 6.094 4.297 -1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.645 5.760 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.870 6.606 -1.366 1.00 0.00 H new ATOM 1457 N VAL A 101 5.308 4.865 1.112 1.00 0.00 N ATOM 1458 CA VAL A 101 4.796 4.964 2.507 1.00 0.00 C ATOM 1459 C VAL A 101 4.488 6.431 2.814 1.00 0.00 C ATOM 1460 O VAL A 101 5.379 7.252 2.881 1.00 0.00 O ATOM 1461 CB VAL A 101 5.908 4.428 3.405 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.528 4.651 4.870 1.00 0.00 C ATOM 1463 CG2 VAL A 101 6.084 2.925 3.153 1.00 0.00 C ATOM 0 H VAL A 101 6.297 5.081 0.985 1.00 0.00 H new ATOM 0 HA VAL A 101 3.880 4.395 2.662 1.00 0.00 H new ATOM 0 HB VAL A 101 6.839 4.949 3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.320 4.269 5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.394 5.717 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.598 4.126 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.878 2.539 3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.152 2.407 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.348 2.760 2.108 1.00 0.00 H new ATOM 1473 N PRO A 102 3.222 6.712 2.965 1.00 0.00 N ATOM 1474 CA PRO A 102 2.773 8.102 3.233 1.00 0.00 C ATOM 1475 C PRO A 102 3.229 8.567 4.620 1.00 0.00 C ATOM 1476 O PRO A 102 3.087 7.863 5.600 1.00 0.00 O ATOM 1477 CB PRO A 102 1.250 7.998 3.173 1.00 0.00 C ATOM 1478 CG PRO A 102 0.955 6.568 3.480 1.00 0.00 C ATOM 1479 CD PRO A 102 2.096 5.775 2.908 1.00 0.00 C ATOM 0 HA PRO A 102 3.182 8.824 2.526 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.779 8.664 3.896 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.873 8.278 2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.871 6.410 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.007 6.262 3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.292 4.875 3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.891 5.455 1.886 1.00 0.00 H new