USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 992 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 82 CYS SG : rot -7:sc= 0.98 USER MOD Set 1.2: A 100 GLN : amide:sc= -1.02! C(o=-0.042!,f=-2.3!) USER MOD Set 2.1: A 78 SER OG : rot -105:sc= 1.59 USER MOD Set 2.2: A 80 CYS SG : rot 94:sc= 0.339 USER MOD Set 3.1: A 16 GLN : amide:sc= 1.08 K(o=2.7,f=-0.76) USER MOD Set 3.2: A 34 SER OG : rot -45:sc= 1.65 USER MOD Set 4.1: A 8 CYS SG : rot -118:sc= 0.619 USER MOD Set 4.2: A 15 SER OG : rot 140:sc= -1.01 USER MOD Set 5.1: A 11 ASN : amide:sc= 0.421 K(o=0.7,f=-5.2!) USER MOD Set 5.2: A 13 CYS SG : rot -172:sc= 0.609 USER MOD Set 5.3: A 43 HIS : no HD1:sc= -0.334 K(o=0.7,f=-5.2!) USER MOD Set 6.1: A 12 SER OG : rot 130:sc= 0.129 USER MOD Set 6.2: A 39 SER OG : rot 103:sc= 2.03 USER MOD Set 7.1: A 5 MET CE :methyl -155:sc= -0.485 (180deg=-0.515) USER MOD Set 7.2: A 35 CYS SG : rot 180:sc= -0.563 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.137 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.19) USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -177:sc= -2.28 (180deg=-2.37) USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= 0.684 (180deg=0.462) USER MOD Single : A 24 THR OG1 : rot 99:sc= 0.537 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 66:sc= 0.708 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 167:sc= -0.796 (180deg=-1.5) USER MOD Single : A 50 MET CE :methyl 143:sc= -0.19 (180deg=-0.693) USER MOD Single : A 58 SER OG : rot 180:sc= 0.141 USER MOD Single : A 60 GLN : amide:sc= 1.13 K(o=1.1,f=-3.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -170:sc= 0.659 USER MOD Single : A 67 ASN : amide:sc= 0.548 K(o=0.55,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.484 X(o=0.48,f=-0.0059) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc=-0.00654 X(o=-0.0065,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0708 USER MOD Single : A 93 GLN : amide:sc= 0.185 K(o=0.18,f=-3.5!) USER MOD Single : A 107 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.28) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 118 GLN : amide:sc= 1.66 K(o=1.7,f=-2.9!) USER MOD Single : A 120 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.18) USER MOD Single : A 125 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ -179:sc= 1.15 (180deg=1.15) USER MOD Single : A 131 SER OG : rot 83:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.895 -1.958 1.931 1.00 0.00 N ATOM 2 CA MET A 1 1.708 -1.075 1.036 1.00 0.00 C ATOM 3 C MET A 1 2.946 -1.848 0.518 1.00 0.00 C ATOM 4 O MET A 1 3.217 -2.930 1.029 1.00 0.00 O ATOM 5 CB MET A 1 2.050 0.257 1.768 1.00 0.00 C ATOM 6 CG MET A 1 2.151 1.476 0.840 1.00 0.00 C ATOM 7 SD MET A 1 0.650 1.816 -0.129 1.00 0.00 S ATOM 8 CE MET A 1 1.150 3.334 -0.985 1.00 0.00 C ATOM 0 H1 MET A 1 -0.080 -2.011 1.574 1.00 0.00 H new ATOM 0 H2 MET A 1 1.310 -2.911 1.948 1.00 0.00 H new ATOM 0 H3 MET A 1 0.890 -1.566 2.894 1.00 0.00 H new ATOM 0 HA MET A 1 1.135 -0.793 0.153 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.287 0.451 2.522 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.996 0.136 2.295 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.387 2.355 1.440 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.984 1.326 0.154 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.336 3.676 -1.624 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.384 4.105 -0.251 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.031 3.134 -1.595 1.00 0.00 H new ATOM 18 N LYS A 2 3.700 -1.358 -0.490 1.00 0.00 N ATOM 19 CA LYS A 2 4.805 -2.134 -1.104 1.00 0.00 C ATOM 20 C LYS A 2 5.831 -2.448 -0.028 1.00 0.00 C ATOM 21 O LYS A 2 6.343 -1.515 0.578 1.00 0.00 O ATOM 22 CB LYS A 2 5.491 -1.407 -2.288 1.00 0.00 C ATOM 23 CG LYS A 2 4.526 -0.911 -3.374 1.00 0.00 C ATOM 24 CD LYS A 2 4.018 0.535 -3.143 1.00 0.00 C ATOM 25 CE LYS A 2 4.931 1.638 -3.719 1.00 0.00 C ATOM 26 NZ LYS A 2 4.514 2.030 -5.097 1.00 0.00 N ATOM 0 H LYS A 2 3.566 -0.432 -0.896 1.00 0.00 H new ATOM 0 HA LYS A 2 4.373 -3.045 -1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.051 -0.556 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.214 -2.083 -2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.025 -0.961 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.670 -1.584 -3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.028 0.633 -3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.904 0.699 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.904 2.511 -3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.962 1.286 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.215 2.684 -5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.450 1.181 -5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.586 2.498 -5.059 1.00 0.00 H new ATOM 40 N LYS A 3 6.082 -3.720 0.269 1.00 0.00 N ATOM 41 CA LYS A 3 6.888 -4.080 1.431 1.00 0.00 C ATOM 42 C LYS A 3 8.328 -4.161 0.978 1.00 0.00 C ATOM 43 O LYS A 3 8.610 -4.780 -0.047 1.00 0.00 O ATOM 44 CB LYS A 3 6.396 -5.377 2.099 1.00 0.00 C ATOM 45 CG LYS A 3 4.874 -5.450 2.310 1.00 0.00 C ATOM 46 CD LYS A 3 4.383 -6.803 2.848 1.00 0.00 C ATOM 47 CE LYS A 3 5.076 -7.245 4.149 1.00 0.00 C ATOM 48 NZ LYS A 3 4.387 -8.408 4.767 1.00 0.00 N ATOM 0 H LYS A 3 5.742 -4.513 -0.274 1.00 0.00 H new ATOM 0 HA LYS A 3 6.794 -3.320 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.706 -6.225 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.889 -5.482 3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.575 -4.664 3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.376 -5.245 1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.308 -6.746 3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.542 -7.566 2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.113 -7.505 3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.092 -6.414 4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.909 -8.711 5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.420 -8.136 5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.349 -9.192 4.085 1.00 0.00 H new ATOM 62 N VAL A 4 9.218 -3.568 1.757 1.00 0.00 N ATOM 63 CA VAL A 4 10.639 -3.561 1.488 1.00 0.00 C ATOM 64 C VAL A 4 11.335 -4.315 2.605 1.00 0.00 C ATOM 65 O VAL A 4 10.826 -4.374 3.729 1.00 0.00 O ATOM 66 CB VAL A 4 11.185 -2.133 1.331 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.609 -2.179 0.767 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.298 -1.260 0.428 1.00 0.00 C ATOM 0 H VAL A 4 8.964 -3.069 2.610 1.00 0.00 H new ATOM 0 HA VAL A 4 10.834 -4.056 0.537 1.00 0.00 H new ATOM 0 HB VAL A 4 11.188 -1.678 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.990 -1.164 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.252 -2.737 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.599 -2.669 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.729 -0.262 0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.237 -1.707 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.298 -1.192 0.857 1.00 0.00 H new ATOM 78 N MET A 5 12.515 -4.851 2.314 1.00 0.00 N ATOM 79 CA MET A 5 13.321 -5.581 3.262 1.00 0.00 C ATOM 80 C MET A 5 14.756 -5.113 3.101 1.00 0.00 C ATOM 81 O MET A 5 15.198 -4.945 1.963 1.00 0.00 O ATOM 82 CB MET A 5 13.197 -7.078 2.961 1.00 0.00 C ATOM 83 CG MET A 5 12.763 -7.858 4.192 1.00 0.00 C ATOM 84 SD MET A 5 13.899 -7.670 5.583 1.00 0.00 S ATOM 85 CE MET A 5 13.084 -8.845 6.670 1.00 0.00 C ATOM 0 H MET A 5 12.940 -4.784 1.389 1.00 0.00 H new ATOM 0 HA MET A 5 12.994 -5.407 4.287 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.475 -7.231 2.159 1.00 0.00 H new ATOM 0 HB3 MET A 5 14.154 -7.460 2.606 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.770 -7.526 4.494 1.00 0.00 H new ATOM 0 HG3 MET A 5 12.682 -8.914 3.936 1.00 0.00 H new ATOM 0 HE1 MET A 5 13.309 -8.597 7.707 1.00 0.00 H new ATOM 0 HE2 MET A 5 12.007 -8.801 6.511 1.00 0.00 H new ATOM 0 HE3 MET A 5 13.442 -9.851 6.452 1.00 0.00 H new ATOM 95 N PHE A 6 15.475 -4.963 4.211 1.00 0.00 N ATOM 96 CA PHE A 6 16.875 -4.577 4.238 1.00 0.00 C ATOM 97 C PHE A 6 17.593 -5.657 5.052 1.00 0.00 C ATOM 98 O PHE A 6 17.269 -5.836 6.229 1.00 0.00 O ATOM 99 CB PHE A 6 17.043 -3.175 4.818 1.00 0.00 C ATOM 100 CG PHE A 6 16.350 -2.113 4.000 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.985 -1.866 4.207 1.00 0.00 C ATOM 102 CD2 PHE A 6 17.027 -1.449 2.963 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.290 -0.995 3.364 1.00 0.00 C ATOM 104 CE2 PHE A 6 16.339 -0.536 2.147 1.00 0.00 C ATOM 105 CZ PHE A 6 14.968 -0.308 2.344 1.00 0.00 C ATOM 0 H PHE A 6 15.084 -5.112 5.141 1.00 0.00 H new ATOM 0 HA PHE A 6 17.306 -4.518 3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.649 -3.158 5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.105 -2.940 4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.469 -2.351 5.022 1.00 0.00 H new ATOM 0 HD2 PHE A 6 18.076 -1.641 2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.228 -0.850 3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 6 16.866 -0.008 1.366 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.438 0.392 1.715 1.00 0.00 H new ATOM 115 N VAL A 7 18.570 -6.356 4.470 1.00 0.00 N ATOM 116 CA VAL A 7 19.150 -7.569 5.065 1.00 0.00 C ATOM 117 C VAL A 7 20.646 -7.368 5.338 1.00 0.00 C ATOM 118 O VAL A 7 21.411 -7.199 4.388 1.00 0.00 O ATOM 119 CB VAL A 7 18.894 -8.760 4.105 1.00 0.00 C ATOM 120 CG1 VAL A 7 19.184 -10.110 4.771 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.472 -8.773 3.501 1.00 0.00 C ATOM 0 H VAL A 7 18.983 -6.100 3.573 1.00 0.00 H new ATOM 0 HA VAL A 7 18.678 -7.782 6.024 1.00 0.00 H new ATOM 0 HB VAL A 7 19.595 -8.610 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 7 18.991 -10.915 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 7 20.228 -10.145 5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.540 -10.232 5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.365 -9.633 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.737 -8.838 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.310 -7.857 2.933 1.00 0.00 H new ATOM 131 N CYS A 8 21.071 -7.325 6.609 1.00 0.00 N ATOM 132 CA CYS A 8 22.469 -7.020 6.936 1.00 0.00 C ATOM 133 C CYS A 8 23.401 -8.233 6.839 1.00 0.00 C ATOM 134 O CYS A 8 22.984 -9.390 6.737 1.00 0.00 O ATOM 135 CB CYS A 8 22.635 -6.444 8.363 1.00 0.00 C ATOM 136 SG CYS A 8 23.712 -4.977 8.306 1.00 0.00 S ATOM 0 H CYS A 8 20.474 -7.496 7.418 1.00 0.00 H new ATOM 0 HA CYS A 8 22.749 -6.280 6.186 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.661 -6.177 8.774 1.00 0.00 H new ATOM 0 HB3 CYS A 8 23.064 -7.198 9.023 1.00 0.00 H new ATOM 0 HG CYS A 8 24.776 -5.192 9.021 1.00 0.00 H new ATOM 142 N LYS A 9 24.687 -7.901 6.968 1.00 0.00 N ATOM 143 CA LYS A 9 25.850 -8.752 7.160 1.00 0.00 C ATOM 144 C LYS A 9 26.780 -7.800 7.909 1.00 0.00 C ATOM 145 O LYS A 9 26.953 -6.672 7.437 1.00 0.00 O ATOM 146 CB LYS A 9 26.404 -9.213 5.796 1.00 0.00 C ATOM 147 CG LYS A 9 27.667 -10.091 5.877 1.00 0.00 C ATOM 148 CD LYS A 9 27.427 -11.445 6.567 1.00 0.00 C ATOM 149 CE LYS A 9 28.696 -12.315 6.658 1.00 0.00 C ATOM 150 NZ LYS A 9 29.141 -12.859 5.343 1.00 0.00 N ATOM 0 H LYS A 9 24.963 -6.919 6.936 1.00 0.00 H new ATOM 0 HA LYS A 9 25.678 -9.684 7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.626 -9.768 5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.628 -8.332 5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.043 -10.267 4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 9 28.443 -9.549 6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.042 -11.270 7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.658 -11.992 6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 9 29.503 -11.722 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 9 28.510 -13.144 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 29.998 -13.433 5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.387 -13.451 4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 29.349 -12.073 4.695 1.00 0.00 H new ATOM 164 N ARG A 10 27.384 -8.207 9.024 1.00 0.00 N ATOM 165 CA ARG A 10 28.108 -7.311 9.940 1.00 0.00 C ATOM 166 C ARG A 10 27.133 -6.284 10.552 1.00 0.00 C ATOM 167 O ARG A 10 25.933 -6.319 10.278 1.00 0.00 O ATOM 168 CB ARG A 10 29.410 -6.768 9.284 1.00 0.00 C ATOM 169 CG ARG A 10 30.350 -6.004 10.238 1.00 0.00 C ATOM 170 CD ARG A 10 31.805 -5.987 9.779 1.00 0.00 C ATOM 171 NE ARG A 10 32.534 -7.241 10.032 1.00 0.00 N ATOM 172 CZ ARG A 10 33.802 -7.450 9.648 1.00 0.00 C ATOM 173 NH1 ARG A 10 34.452 -6.530 8.934 1.00 0.00 N ATOM 174 NH2 ARG A 10 34.415 -8.585 9.978 1.00 0.00 N ATOM 0 H ARG A 10 27.387 -9.181 9.326 1.00 0.00 H new ATOM 0 HA ARG A 10 28.491 -7.853 10.804 1.00 0.00 H new ATOM 0 HB2 ARG A 10 29.958 -7.605 8.852 1.00 0.00 H new ATOM 0 HB3 ARG A 10 29.136 -6.107 8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 10 29.997 -4.977 10.337 1.00 0.00 H new ATOM 0 HG3 ARG A 10 30.295 -6.457 11.228 1.00 0.00 H new ATOM 0 HD2 ARG A 10 31.834 -5.772 8.711 1.00 0.00 H new ATOM 0 HD3 ARG A 10 32.323 -5.171 10.283 1.00 0.00 H new ATOM 0 HE ARG A 10 32.049 -7.990 10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 10 33.985 -5.661 8.676 1.00 0.00 H new ATOM 0 HH12 ARG A 10 35.416 -6.696 8.646 1.00 0.00 H new ATOM 0 HH21 ARG A 10 33.920 -9.292 10.521 1.00 0.00 H new ATOM 0 HH22 ARG A 10 35.379 -8.747 9.687 1.00 0.00 H new ATOM 188 N ASN A 11 27.643 -5.447 11.463 1.00 0.00 N ATOM 189 CA ASN A 11 26.902 -4.537 12.342 1.00 0.00 C ATOM 190 C ASN A 11 25.726 -3.834 11.650 1.00 0.00 C ATOM 191 O ASN A 11 25.849 -3.344 10.527 1.00 0.00 O ATOM 192 CB ASN A 11 27.883 -3.526 12.975 1.00 0.00 C ATOM 193 CG ASN A 11 27.338 -2.820 14.218 1.00 0.00 C ATOM 194 OD1 ASN A 11 26.191 -3.000 14.609 1.00 0.00 O ATOM 195 ND2 ASN A 11 28.167 -2.035 14.880 1.00 0.00 N ATOM 0 H ASN A 11 28.650 -5.384 11.615 1.00 0.00 H new ATOM 0 HA ASN A 11 26.444 -5.139 13.126 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.803 -4.047 13.240 1.00 0.00 H new ATOM 0 HB3 ASN A 11 28.145 -2.775 12.230 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.856 -1.567 15.731 1.00 0.00 H new ATOM 0 HD22 ASN A 11 29.119 -1.896 14.540 1.00 0.00 H new ATOM 202 N SER A 12 24.601 -3.762 12.358 1.00 0.00 N ATOM 203 CA SER A 12 23.266 -3.323 11.954 1.00 0.00 C ATOM 204 C SER A 12 23.201 -1.947 11.285 1.00 0.00 C ATOM 205 O SER A 12 22.237 -1.643 10.582 1.00 0.00 O ATOM 206 CB SER A 12 22.431 -3.308 13.239 1.00 0.00 C ATOM 207 OG SER A 12 22.710 -4.484 13.984 1.00 0.00 O ATOM 0 H SER A 12 24.603 -4.041 13.339 1.00 0.00 H new ATOM 0 HA SER A 12 22.899 -4.008 11.190 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.666 -2.423 13.830 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.369 -3.258 12.998 1.00 0.00 H new ATOM 0 HG SER A 12 22.924 -4.242 14.909 1.00 0.00 H new ATOM 213 N CYS A 13 24.225 -1.115 11.498 1.00 0.00 N ATOM 214 CA CYS A 13 24.305 0.293 11.120 1.00 0.00 C ATOM 215 C CYS A 13 24.163 0.565 9.616 1.00 0.00 C ATOM 216 O CYS A 13 24.151 1.731 9.237 1.00 0.00 O ATOM 217 CB CYS A 13 25.659 0.856 11.591 1.00 0.00 C ATOM 218 SG CYS A 13 26.114 0.228 13.228 1.00 0.00 S ATOM 0 H CYS A 13 25.073 -1.430 11.969 1.00 0.00 H new ATOM 0 HA CYS A 13 23.457 0.781 11.601 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.433 0.590 10.871 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.610 1.945 11.620 1.00 0.00 H new ATOM 0 HG CYS A 13 27.165 0.860 13.658 1.00 0.00 H new ATOM 224 N ARG A 14 24.089 -0.460 8.756 1.00 0.00 N ATOM 225 CA ARG A 14 23.910 -0.275 7.312 1.00 0.00 C ATOM 226 C ARG A 14 22.534 -0.759 6.863 1.00 0.00 C ATOM 227 O ARG A 14 21.762 0.089 6.443 1.00 0.00 O ATOM 228 CB ARG A 14 25.148 -0.757 6.514 1.00 0.00 C ATOM 229 CG ARG A 14 25.638 -2.203 6.743 1.00 0.00 C ATOM 230 CD ARG A 14 26.989 -2.428 6.041 1.00 0.00 C ATOM 231 NE ARG A 14 27.438 -3.835 6.124 1.00 0.00 N ATOM 232 CZ ARG A 14 28.419 -4.378 5.383 1.00 0.00 C ATOM 233 NH1 ARG A 14 29.125 -3.639 4.540 1.00 0.00 N ATOM 234 NH2 ARG A 14 28.691 -5.672 5.498 1.00 0.00 N ATOM 0 H ARG A 14 24.151 -1.437 9.042 1.00 0.00 H new ATOM 0 HA ARG A 14 23.883 0.786 7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 14 24.927 -0.643 5.453 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.975 -0.084 6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.739 -2.395 7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.900 -2.909 6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.905 -2.137 4.994 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.742 -1.782 6.492 1.00 0.00 H new ATOM 0 HE ARG A 14 26.966 -4.440 6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 14 28.927 -2.643 4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.866 -4.066 3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 14 28.156 -6.250 6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 14 29.435 -6.089 4.938 1.00 0.00 H new ATOM 248 N SER A 15 22.136 -2.026 6.998 1.00 0.00 N ATOM 249 CA SER A 15 20.831 -2.414 6.456 1.00 0.00 C ATOM 250 C SER A 15 19.694 -1.903 7.331 1.00 0.00 C ATOM 251 O SER A 15 18.699 -1.393 6.826 1.00 0.00 O ATOM 252 CB SER A 15 20.726 -3.923 6.331 1.00 0.00 C ATOM 253 OG SER A 15 20.615 -4.475 7.620 1.00 0.00 O ATOM 0 H SER A 15 22.667 -2.768 7.454 1.00 0.00 H new ATOM 0 HA SER A 15 20.745 -1.962 5.468 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.859 -4.193 5.728 1.00 0.00 H new ATOM 0 HB3 SER A 15 21.604 -4.322 5.823 1.00 0.00 H new ATOM 0 HG SER A 15 19.964 -5.207 7.607 1.00 0.00 H new ATOM 259 N GLN A 16 19.811 -2.045 8.650 1.00 0.00 N ATOM 260 CA GLN A 16 18.691 -1.714 9.505 1.00 0.00 C ATOM 261 C GLN A 16 18.610 -0.179 9.588 1.00 0.00 C ATOM 262 O GLN A 16 17.526 0.384 9.711 1.00 0.00 O ATOM 263 CB GLN A 16 18.704 -2.562 10.786 1.00 0.00 C ATOM 264 CG GLN A 16 18.885 -4.068 10.477 1.00 0.00 C ATOM 265 CD GLN A 16 18.157 -5.006 11.450 1.00 0.00 C ATOM 266 OE1 GLN A 16 18.715 -5.997 11.891 1.00 0.00 O ATOM 267 NE2 GLN A 16 16.896 -4.779 11.776 1.00 0.00 N ATOM 0 H GLN A 16 20.646 -2.377 9.132 1.00 0.00 H new ATOM 0 HA GLN A 16 17.718 -2.003 9.109 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.511 -2.225 11.437 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.772 -2.412 11.330 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.528 -4.265 9.466 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.949 -4.304 10.491 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.416 -3.954 11.415 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.403 -5.428 12.389 1.00 0.00 H new ATOM 276 N MET A 17 19.731 0.522 9.369 1.00 0.00 N ATOM 277 CA MET A 17 19.715 1.968 9.153 1.00 0.00 C ATOM 278 C MET A 17 18.991 2.244 7.849 1.00 0.00 C ATOM 279 O MET A 17 18.210 3.181 7.774 1.00 0.00 O ATOM 280 CB MET A 17 21.135 2.517 9.022 1.00 0.00 C ATOM 281 CG MET A 17 21.200 3.956 8.470 1.00 0.00 C ATOM 282 SD MET A 17 20.556 5.328 9.475 1.00 0.00 S ATOM 283 CE MET A 17 18.740 5.337 9.525 1.00 0.00 C ATOM 0 H MET A 17 20.662 0.105 9.337 1.00 0.00 H new ATOM 0 HA MET A 17 19.223 2.444 10.001 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.616 2.491 10.000 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.709 1.861 8.367 1.00 0.00 H new ATOM 0 HG2 MET A 17 22.245 4.175 8.249 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.665 3.967 7.521 1.00 0.00 H new ATOM 0 HE1 MET A 17 18.396 6.203 10.091 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.348 5.389 8.509 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.385 4.425 10.005 1.00 0.00 H new ATOM 293 N ALA A 18 19.239 1.455 6.808 1.00 0.00 N ATOM 294 CA ALA A 18 18.599 1.677 5.529 1.00 0.00 C ATOM 295 C ALA A 18 17.089 1.564 5.687 1.00 0.00 C ATOM 296 O ALA A 18 16.369 2.396 5.154 1.00 0.00 O ATOM 297 CB ALA A 18 19.196 0.715 4.501 1.00 0.00 C ATOM 0 H ALA A 18 19.878 0.660 6.831 1.00 0.00 H new ATOM 0 HA ALA A 18 18.786 2.685 5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.720 0.875 3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.267 0.896 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.027 -0.313 4.823 1.00 0.00 H new ATOM 303 N GLU A 19 16.614 0.648 6.534 1.00 0.00 N ATOM 304 CA GLU A 19 15.211 0.615 6.921 1.00 0.00 C ATOM 305 C GLU A 19 14.825 1.887 7.671 1.00 0.00 C ATOM 306 O GLU A 19 13.740 2.401 7.426 1.00 0.00 O ATOM 307 CB GLU A 19 14.910 -0.606 7.787 1.00 0.00 C ATOM 308 CG GLU A 19 13.406 -0.801 8.036 1.00 0.00 C ATOM 309 CD GLU A 19 13.091 -1.184 9.487 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.072 -2.397 9.792 1.00 0.00 O ATOM 311 OE2 GLU A 19 12.886 -0.269 10.321 1.00 0.00 O ATOM 0 H GLU A 19 17.185 -0.080 6.963 1.00 0.00 H new ATOM 0 HA GLU A 19 14.619 0.550 6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.313 -1.497 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.422 -0.503 8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.878 0.119 7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.029 -1.577 7.370 1.00 0.00 H new ATOM 318 N GLY A 20 15.672 2.443 8.548 1.00 0.00 N ATOM 319 CA GLY A 20 15.334 3.639 9.302 1.00 0.00 C ATOM 320 C GLY A 20 15.147 4.833 8.380 1.00 0.00 C ATOM 321 O GLY A 20 14.150 5.544 8.478 1.00 0.00 O ATOM 0 H GLY A 20 16.602 2.073 8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.420 3.468 9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.123 3.853 10.023 1.00 0.00 H new ATOM 325 N PHE A 21 16.058 5.014 7.421 1.00 0.00 N ATOM 326 CA PHE A 21 15.907 6.034 6.395 1.00 0.00 C ATOM 327 C PHE A 21 14.713 5.697 5.525 1.00 0.00 C ATOM 328 O PHE A 21 13.984 6.602 5.146 1.00 0.00 O ATOM 329 CB PHE A 21 17.177 6.159 5.546 1.00 0.00 C ATOM 330 CG PHE A 21 18.258 7.051 6.119 1.00 0.00 C ATOM 331 CD1 PHE A 21 17.993 8.412 6.370 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.546 6.543 6.354 1.00 0.00 C ATOM 333 CE1 PHE A 21 18.999 9.248 6.884 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.548 7.379 6.856 1.00 0.00 C ATOM 335 CZ PHE A 21 20.279 8.731 7.132 1.00 0.00 C ATOM 0 H PHE A 21 16.911 4.461 7.339 1.00 0.00 H new ATOM 0 HA PHE A 21 15.742 6.997 6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.593 5.163 5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.900 6.539 4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.012 8.815 6.166 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.763 5.505 6.147 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.787 10.287 7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.537 6.983 7.033 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.054 9.368 7.533 1.00 0.00 H new ATOM 345 N ALA A 22 14.466 4.428 5.204 1.00 0.00 N ATOM 346 CA ALA A 22 13.413 4.074 4.269 1.00 0.00 C ATOM 347 C ALA A 22 12.036 4.269 4.899 1.00 0.00 C ATOM 348 O ALA A 22 11.148 4.768 4.224 1.00 0.00 O ATOM 349 CB ALA A 22 13.657 2.655 3.739 1.00 0.00 C ATOM 0 H ALA A 22 14.983 3.633 5.580 1.00 0.00 H new ATOM 0 HA ALA A 22 13.434 4.743 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.867 2.388 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.621 2.617 3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.656 1.951 4.571 1.00 0.00 H new ATOM 355 N LYS A 23 11.838 3.974 6.187 1.00 0.00 N ATOM 356 CA LYS A 23 10.576 4.246 6.880 1.00 0.00 C ATOM 357 C LYS A 23 10.359 5.741 7.112 1.00 0.00 C ATOM 358 O LYS A 23 9.235 6.166 7.345 1.00 0.00 O ATOM 359 CB LYS A 23 10.474 3.420 8.178 1.00 0.00 C ATOM 360 CG LYS A 23 11.333 3.940 9.344 1.00 0.00 C ATOM 361 CD LYS A 23 11.112 3.138 10.636 1.00 0.00 C ATOM 362 CE LYS A 23 12.000 3.703 11.764 1.00 0.00 C ATOM 363 NZ LYS A 23 11.806 2.998 13.063 1.00 0.00 N ATOM 0 H LYS A 23 12.547 3.540 6.778 1.00 0.00 H new ATOM 0 HA LYS A 23 9.761 3.926 6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.432 3.396 8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.765 2.392 7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.386 3.893 9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.098 4.989 9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.063 3.186 10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.348 2.087 10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.046 3.628 11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.781 4.763 11.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.629 3.167 13.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.948 3.357 13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.705 1.977 12.892 1.00 0.00 H new ATOM 377 N THR A 24 11.430 6.524 7.056 1.00 0.00 N ATOM 378 CA THR A 24 11.434 7.969 7.188 1.00 0.00 C ATOM 379 C THR A 24 11.067 8.609 5.842 1.00 0.00 C ATOM 380 O THR A 24 10.160 9.436 5.756 1.00 0.00 O ATOM 381 CB THR A 24 12.849 8.317 7.691 1.00 0.00 C ATOM 382 OG1 THR A 24 12.921 8.074 9.080 1.00 0.00 O ATOM 383 CG2 THR A 24 13.388 9.702 7.364 1.00 0.00 C ATOM 0 H THR A 24 12.365 6.145 6.910 1.00 0.00 H new ATOM 0 HA THR A 24 10.695 8.355 7.890 1.00 0.00 H new ATOM 0 HB THR A 24 13.507 7.659 7.123 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.347 7.206 9.239 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.391 9.809 7.778 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.426 9.831 6.282 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.734 10.459 7.797 1.00 0.00 H new ATOM 391 N LEU A 25 11.756 8.195 4.777 1.00 0.00 N ATOM 392 CA LEU A 25 11.722 8.815 3.457 1.00 0.00 C ATOM 393 C LEU A 25 10.618 8.224 2.567 1.00 0.00 C ATOM 394 O LEU A 25 10.117 8.899 1.671 1.00 0.00 O ATOM 395 CB LEU A 25 13.085 8.601 2.783 1.00 0.00 C ATOM 396 CG LEU A 25 14.253 9.414 3.358 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.552 8.990 2.662 1.00 0.00 C ATOM 398 CD2 LEU A 25 14.068 10.924 3.178 1.00 0.00 C ATOM 0 H LEU A 25 12.377 7.386 4.815 1.00 0.00 H new ATOM 0 HA LEU A 25 11.507 9.876 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.338 7.543 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.987 8.842 1.724 1.00 0.00 H new ATOM 0 HG LEU A 25 14.292 9.211 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.386 9.564 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.726 7.928 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.469 9.176 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.924 11.449 3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.990 11.157 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.158 11.242 3.687 1.00 0.00 H new ATOM 410 N GLY A 26 10.227 6.975 2.835 1.00 0.00 N ATOM 411 CA GLY A 26 9.210 6.200 2.121 1.00 0.00 C ATOM 412 C GLY A 26 7.890 6.145 2.893 1.00 0.00 C ATOM 413 O GLY A 26 7.033 5.304 2.609 1.00 0.00 O ATOM 0 H GLY A 26 10.638 6.446 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.039 6.642 1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.576 5.187 1.954 1.00 0.00 H new ATOM 417 N ALA A 27 7.743 6.998 3.907 1.00 0.00 N ATOM 418 CA ALA A 27 6.624 6.999 4.828 1.00 0.00 C ATOM 419 C ALA A 27 5.327 7.255 4.063 1.00 0.00 C ATOM 420 O ALA A 27 5.198 8.274 3.380 1.00 0.00 O ATOM 421 CB ALA A 27 6.871 8.064 5.903 1.00 0.00 C ATOM 0 H ALA A 27 8.426 7.728 4.110 1.00 0.00 H new ATOM 0 HA ALA A 27 6.529 6.030 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.036 8.075 6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.791 7.833 6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.962 9.043 5.432 1.00 0.00 H new ATOM 427 N GLY A 28 4.377 6.321 4.166 1.00 0.00 N ATOM 428 CA GLY A 28 3.079 6.427 3.500 1.00 0.00 C ATOM 429 C GLY A 28 3.120 6.061 2.016 1.00 0.00 C ATOM 430 O GLY A 28 2.128 6.255 1.313 1.00 0.00 O ATOM 0 H GLY A 28 4.488 5.469 4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.366 5.776 4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.709 7.447 3.604 1.00 0.00 H new ATOM 434 N LYS A 29 4.247 5.531 1.530 1.00 0.00 N ATOM 435 CA LYS A 29 4.481 5.174 0.142 1.00 0.00 C ATOM 436 C LYS A 29 4.858 3.703 0.066 1.00 0.00 C ATOM 437 O LYS A 29 4.512 3.027 -0.895 1.00 0.00 O ATOM 438 CB LYS A 29 5.594 6.062 -0.418 1.00 0.00 C ATOM 439 CG LYS A 29 5.230 7.555 -0.435 1.00 0.00 C ATOM 440 CD LYS A 29 4.178 7.912 -1.499 1.00 0.00 C ATOM 441 CE LYS A 29 3.957 9.434 -1.530 1.00 0.00 C ATOM 442 NZ LYS A 29 2.952 9.835 -2.548 1.00 0.00 N ATOM 0 H LYS A 29 5.051 5.334 2.126 1.00 0.00 H new ATOM 0 HA LYS A 29 3.582 5.330 -0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.496 5.922 0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.830 5.741 -1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.855 7.842 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.132 8.140 -0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.506 7.564 -2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.239 7.404 -1.279 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.630 9.772 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.903 9.933 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.836 10.868 -2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.275 9.537 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.041 9.381 -2.334 1.00 0.00 H new ATOM 456 N ILE A 30 5.524 3.187 1.098 1.00 0.00 N ATOM 457 CA ILE A 30 5.945 1.801 1.222 1.00 0.00 C ATOM 458 C ILE A 30 5.773 1.340 2.671 1.00 0.00 C ATOM 459 O ILE A 30 5.473 2.134 3.564 1.00 0.00 O ATOM 460 CB ILE A 30 7.412 1.664 0.750 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.382 2.595 1.510 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.495 1.915 -0.762 1.00 0.00 C ATOM 463 CD1 ILE A 30 9.831 2.101 1.508 1.00 0.00 C ATOM 0 H ILE A 30 5.794 3.752 1.903 1.00 0.00 H new ATOM 0 HA ILE A 30 5.326 1.163 0.591 1.00 0.00 H new ATOM 0 HB ILE A 30 7.729 0.645 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.345 3.588 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.043 2.697 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.530 1.818 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.878 1.186 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.137 2.920 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.456 2.804 2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.882 1.121 1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.189 2.026 0.481 1.00 0.00 H new ATOM 475 N ALA A 31 5.996 0.046 2.880 1.00 0.00 N ATOM 476 CA ALA A 31 6.123 -0.591 4.182 1.00 0.00 C ATOM 477 C ALA A 31 7.566 -1.064 4.217 1.00 0.00 C ATOM 478 O ALA A 31 8.104 -1.466 3.188 1.00 0.00 O ATOM 479 CB ALA A 31 5.126 -1.747 4.302 1.00 0.00 C ATOM 0 H ALA A 31 6.097 -0.615 2.110 1.00 0.00 H new ATOM 0 HA ALA A 31 5.900 0.072 5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.230 -2.217 5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.111 -1.366 4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.327 -2.483 3.523 1.00 0.00 H new ATOM 485 N VAL A 32 8.211 -1.014 5.370 1.00 0.00 N ATOM 486 CA VAL A 32 9.643 -1.203 5.489 1.00 0.00 C ATOM 487 C VAL A 32 9.960 -2.178 6.643 1.00 0.00 C ATOM 488 O VAL A 32 9.330 -2.107 7.699 1.00 0.00 O ATOM 489 CB VAL A 32 10.250 0.207 5.691 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.683 0.264 5.201 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.498 1.369 4.996 1.00 0.00 C ATOM 0 H VAL A 32 7.746 -0.838 6.261 1.00 0.00 H new ATOM 0 HA VAL A 32 10.079 -1.660 4.601 1.00 0.00 H new ATOM 0 HB VAL A 32 10.169 0.354 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.081 1.267 5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.286 -0.456 5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.714 0.022 4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.009 2.309 5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.478 1.197 3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.477 1.420 5.375 1.00 0.00 H new ATOM 501 N THR A 33 10.940 -3.071 6.444 1.00 0.00 N ATOM 502 CA THR A 33 11.292 -4.153 7.375 1.00 0.00 C ATOM 503 C THR A 33 12.802 -4.430 7.283 1.00 0.00 C ATOM 504 O THR A 33 13.406 -4.126 6.251 1.00 0.00 O ATOM 505 CB THR A 33 10.490 -5.429 7.030 1.00 0.00 C ATOM 506 OG1 THR A 33 9.418 -5.208 6.123 1.00 0.00 O ATOM 507 CG2 THR A 33 9.901 -6.090 8.278 1.00 0.00 C ATOM 0 H THR A 33 11.525 -3.060 5.609 1.00 0.00 H new ATOM 0 HA THR A 33 11.043 -3.854 8.393 1.00 0.00 H new ATOM 0 HB THR A 33 11.225 -6.079 6.555 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.777 -4.945 5.250 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.346 -6.982 7.989 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.707 -6.368 8.957 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.230 -5.391 8.778 1.00 0.00 H new ATOM 515 N SER A 34 13.434 -5.039 8.294 1.00 0.00 N ATOM 516 CA SER A 34 14.851 -5.392 8.220 1.00 0.00 C ATOM 517 C SER A 34 15.234 -6.551 9.143 1.00 0.00 C ATOM 518 O SER A 34 14.461 -6.928 10.030 1.00 0.00 O ATOM 519 CB SER A 34 15.704 -4.146 8.467 1.00 0.00 C ATOM 520 OG SER A 34 15.439 -3.499 9.701 1.00 0.00 O ATOM 0 H SER A 34 12.983 -5.296 9.172 1.00 0.00 H new ATOM 0 HA SER A 34 15.050 -5.760 7.214 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.757 -4.427 8.435 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.538 -3.438 7.655 1.00 0.00 H new ATOM 0 HG SER A 34 14.470 -3.431 9.833 1.00 0.00 H new ATOM 526 N CYS A 35 16.424 -7.116 8.924 1.00 0.00 N ATOM 527 CA CYS A 35 16.983 -8.223 9.693 1.00 0.00 C ATOM 528 C CYS A 35 18.512 -8.179 9.601 1.00 0.00 C ATOM 529 O CYS A 35 19.067 -7.501 8.726 1.00 0.00 O ATOM 530 CB CYS A 35 16.435 -9.560 9.158 1.00 0.00 C ATOM 531 SG CYS A 35 16.484 -9.647 7.345 1.00 0.00 S ATOM 0 H CYS A 35 17.045 -6.801 8.178 1.00 0.00 H new ATOM 0 HA CYS A 35 16.693 -8.133 10.740 1.00 0.00 H new ATOM 0 HB2 CYS A 35 17.017 -10.382 9.575 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.408 -9.692 9.498 1.00 0.00 H new ATOM 0 HG CYS A 35 16.013 -10.793 6.953 1.00 0.00 H new ATOM 537 N GLY A 36 19.189 -8.942 10.463 1.00 0.00 N ATOM 538 CA GLY A 36 20.643 -8.990 10.511 1.00 0.00 C ATOM 539 C GLY A 36 21.156 -7.987 11.538 1.00 0.00 C ATOM 540 O GLY A 36 21.969 -7.125 11.209 1.00 0.00 O ATOM 0 H GLY A 36 18.736 -9.546 11.149 1.00 0.00 H new ATOM 0 HA2 GLY A 36 20.975 -9.995 10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 36 21.057 -8.763 9.528 1.00 0.00 H new ATOM 544 N LEU A 37 20.665 -8.063 12.777 1.00 0.00 N ATOM 545 CA LEU A 37 20.995 -7.147 13.840 1.00 0.00 C ATOM 546 C LEU A 37 22.228 -7.797 14.447 1.00 0.00 C ATOM 547 O LEU A 37 22.167 -8.406 15.515 1.00 0.00 O ATOM 548 CB LEU A 37 19.800 -7.011 14.804 1.00 0.00 C ATOM 549 CG LEU A 37 19.776 -5.717 15.628 1.00 0.00 C ATOM 550 CD1 LEU A 37 19.288 -4.515 14.801 1.00 0.00 C ATOM 551 CD2 LEU A 37 18.799 -5.914 16.794 1.00 0.00 C ATOM 0 H LEU A 37 20.009 -8.789 13.064 1.00 0.00 H new ATOM 0 HA LEU A 37 21.199 -6.120 13.537 1.00 0.00 H new ATOM 0 HB2 LEU A 37 18.878 -7.073 14.227 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.806 -7.860 15.488 1.00 0.00 H new ATOM 0 HG LEU A 37 20.791 -5.511 15.968 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.287 -3.621 15.424 1.00 0.00 H new ATOM 0 HD12 LEU A 37 19.953 -4.364 13.951 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.277 -4.707 14.441 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.764 -5.006 17.396 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.805 -6.129 16.403 1.00 0.00 H new ATOM 0 HD23 LEU A 37 19.134 -6.747 17.412 1.00 0.00 H new ATOM 563 N GLU A 38 23.333 -7.795 13.692 1.00 0.00 N ATOM 564 CA GLU A 38 24.552 -8.546 13.992 1.00 0.00 C ATOM 565 C GLU A 38 25.191 -8.094 15.320 1.00 0.00 C ATOM 566 O GLU A 38 26.219 -8.620 15.751 1.00 0.00 O ATOM 567 CB GLU A 38 25.527 -8.374 12.817 1.00 0.00 C ATOM 568 CG GLU A 38 26.466 -9.572 12.633 1.00 0.00 C ATOM 569 CD GLU A 38 25.918 -10.567 11.592 1.00 0.00 C ATOM 570 OE1 GLU A 38 25.103 -11.446 11.966 1.00 0.00 O ATOM 571 OE2 GLU A 38 26.309 -10.464 10.403 1.00 0.00 O ATOM 0 H GLU A 38 23.403 -7.254 12.830 1.00 0.00 H new ATOM 0 HA GLU A 38 24.304 -9.600 14.116 1.00 0.00 H new ATOM 0 HB2 GLU A 38 24.958 -8.222 11.900 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.122 -7.475 12.975 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.449 -9.220 12.319 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.600 -10.080 13.588 1.00 0.00 H new ATOM 578 N SER A 39 24.573 -7.106 15.961 1.00 0.00 N ATOM 579 CA SER A 39 24.966 -6.563 17.257 1.00 0.00 C ATOM 580 C SER A 39 24.323 -7.309 18.435 1.00 0.00 C ATOM 581 O SER A 39 24.444 -6.894 19.589 1.00 0.00 O ATOM 582 CB SER A 39 24.674 -5.059 17.244 1.00 0.00 C ATOM 583 OG SER A 39 23.404 -4.796 16.659 1.00 0.00 O ATOM 0 H SER A 39 23.750 -6.643 15.575 1.00 0.00 H new ATOM 0 HA SER A 39 26.034 -6.713 17.414 1.00 0.00 H new ATOM 0 HB2 SER A 39 24.698 -4.671 18.262 1.00 0.00 H new ATOM 0 HB3 SER A 39 25.452 -4.538 16.686 1.00 0.00 H new ATOM 0 HG SER A 39 22.752 -4.604 17.365 1.00 0.00 H new ATOM 589 N SER A 40 23.636 -8.409 18.130 1.00 0.00 N ATOM 590 CA SER A 40 22.832 -9.293 18.990 1.00 0.00 C ATOM 591 C SER A 40 21.616 -8.614 19.658 1.00 0.00 C ATOM 592 O SER A 40 20.592 -9.262 19.884 1.00 0.00 O ATOM 593 CB SER A 40 23.735 -10.013 20.006 1.00 0.00 C ATOM 594 OG SER A 40 24.842 -10.629 19.350 1.00 0.00 O ATOM 0 H SER A 40 23.625 -8.745 17.167 1.00 0.00 H new ATOM 0 HA SER A 40 22.383 -10.035 18.330 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.096 -9.301 20.748 1.00 0.00 H new ATOM 0 HB3 SER A 40 23.158 -10.767 20.542 1.00 0.00 H new ATOM 0 HG SER A 40 25.405 -11.080 20.013 1.00 0.00 H new ATOM 600 N ARG A 41 21.695 -7.311 19.926 1.00 0.00 N ATOM 601 CA ARG A 41 20.624 -6.409 20.346 1.00 0.00 C ATOM 602 C ARG A 41 20.775 -5.179 19.448 1.00 0.00 C ATOM 603 O ARG A 41 21.651 -5.164 18.580 1.00 0.00 O ATOM 604 CB ARG A 41 20.745 -6.053 21.848 1.00 0.00 C ATOM 605 CG ARG A 41 20.642 -7.249 22.813 1.00 0.00 C ATOM 606 CD ARG A 41 22.010 -7.841 23.182 1.00 0.00 C ATOM 607 NE ARG A 41 21.864 -9.037 24.033 1.00 0.00 N ATOM 608 CZ ARG A 41 22.857 -9.693 24.654 1.00 0.00 C ATOM 609 NH1 ARG A 41 24.120 -9.288 24.532 1.00 0.00 N ATOM 610 NH2 ARG A 41 22.581 -10.763 25.396 1.00 0.00 N ATOM 0 H ARG A 41 22.585 -6.818 19.848 1.00 0.00 H new ATOM 0 HA ARG A 41 19.638 -6.861 20.242 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.701 -5.555 22.012 1.00 0.00 H new ATOM 0 HB3 ARG A 41 19.964 -5.335 22.099 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.132 -6.932 23.723 1.00 0.00 H new ATOM 0 HG3 ARG A 41 20.027 -8.025 22.357 1.00 0.00 H new ATOM 0 HD2 ARG A 41 22.553 -8.102 22.274 1.00 0.00 H new ATOM 0 HD3 ARG A 41 22.605 -7.091 23.704 1.00 0.00 H new ATOM 0 HE ARG A 41 20.919 -9.400 24.162 1.00 0.00 H new ATOM 0 HH11 ARG A 41 24.341 -8.471 23.962 1.00 0.00 H new ATOM 0 HH12 ARG A 41 24.866 -9.794 25.009 1.00 0.00 H new ATOM 0 HH21 ARG A 41 21.617 -11.083 25.492 1.00 0.00 H new ATOM 0 HH22 ARG A 41 23.333 -11.263 25.869 1.00 0.00 H new ATOM 624 N VAL A 42 19.959 -4.139 19.606 1.00 0.00 N ATOM 625 CA VAL A 42 20.192 -2.888 18.901 1.00 0.00 C ATOM 626 C VAL A 42 21.539 -2.308 19.326 1.00 0.00 C ATOM 627 O VAL A 42 22.075 -2.621 20.394 1.00 0.00 O ATOM 628 CB VAL A 42 19.024 -1.914 19.139 1.00 0.00 C ATOM 629 CG1 VAL A 42 17.714 -2.493 18.581 1.00 0.00 C ATOM 630 CG2 VAL A 42 18.868 -1.491 20.611 1.00 0.00 C ATOM 0 H VAL A 42 19.138 -4.140 20.211 1.00 0.00 H new ATOM 0 HA VAL A 42 20.235 -3.067 17.827 1.00 0.00 H new ATOM 0 HB VAL A 42 19.266 -1.001 18.594 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.900 -1.790 18.759 1.00 0.00 H new ATOM 0 HG12 VAL A 42 17.819 -2.663 17.509 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.493 -3.437 19.078 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.026 -0.805 20.705 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.688 -2.373 21.226 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.779 -0.995 20.946 1.00 0.00 H new ATOM 640 N HIS A 43 22.067 -1.442 18.467 1.00 0.00 N ATOM 641 CA HIS A 43 23.419 -0.944 18.586 1.00 0.00 C ATOM 642 C HIS A 43 23.324 0.548 18.907 1.00 0.00 C ATOM 643 O HIS A 43 22.973 1.330 18.022 1.00 0.00 O ATOM 644 CB HIS A 43 24.155 -1.271 17.292 1.00 0.00 C ATOM 645 CG HIS A 43 25.636 -1.037 17.416 1.00 0.00 C ATOM 646 ND1 HIS A 43 26.514 -1.704 18.244 1.00 0.00 N ATOM 647 CD2 HIS A 43 26.345 -0.062 16.780 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.725 -1.138 18.101 1.00 0.00 C ATOM 649 NE2 HIS A 43 27.672 -0.134 17.207 1.00 0.00 N ATOM 0 H HIS A 43 21.559 -1.068 17.665 1.00 0.00 H new ATOM 0 HA HIS A 43 23.992 -1.408 19.389 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.973 -2.312 17.023 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.757 -0.659 16.483 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.948 0.646 16.067 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.615 -1.446 18.629 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.446 0.456 16.902 1.00 0.00 H new ATOM 657 N PRO A 44 23.607 0.977 20.149 1.00 0.00 N ATOM 658 CA PRO A 44 23.332 2.334 20.609 1.00 0.00 C ATOM 659 C PRO A 44 24.144 3.369 19.839 1.00 0.00 C ATOM 660 O PRO A 44 23.661 4.484 19.652 1.00 0.00 O ATOM 661 CB PRO A 44 23.691 2.345 22.099 1.00 0.00 C ATOM 662 CG PRO A 44 24.811 1.312 22.142 1.00 0.00 C ATOM 663 CD PRO A 44 24.258 0.231 21.214 1.00 0.00 C ATOM 0 HA PRO A 44 22.288 2.600 20.443 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.024 3.327 22.435 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.847 2.063 22.728 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.757 1.717 21.783 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.986 0.938 23.151 1.00 0.00 H new ATOM 0 HD2 PRO A 44 25.053 -0.406 20.826 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.554 -0.419 21.734 1.00 0.00 H new ATOM 671 N THR A 45 25.338 3.013 19.343 1.00 0.00 N ATOM 672 CA THR A 45 26.115 3.944 18.542 1.00 0.00 C ATOM 673 C THR A 45 25.355 4.251 17.246 1.00 0.00 C ATOM 674 O THR A 45 25.322 5.402 16.818 1.00 0.00 O ATOM 675 CB THR A 45 27.534 3.400 18.278 1.00 0.00 C ATOM 676 OG1 THR A 45 28.099 2.971 19.510 1.00 0.00 O ATOM 677 CG2 THR A 45 28.430 4.474 17.640 1.00 0.00 C ATOM 0 H THR A 45 25.773 2.101 19.484 1.00 0.00 H new ATOM 0 HA THR A 45 26.245 4.878 19.090 1.00 0.00 H new ATOM 0 HB THR A 45 27.467 2.563 17.583 1.00 0.00 H new ATOM 0 HG1 THR A 45 29.001 2.622 19.352 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.424 4.062 17.465 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.997 4.792 16.691 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.505 5.330 18.310 1.00 0.00 H new ATOM 685 N ALA A 46 24.672 3.254 16.655 1.00 0.00 N ATOM 686 CA ALA A 46 23.855 3.498 15.475 1.00 0.00 C ATOM 687 C ALA A 46 22.693 4.393 15.864 1.00 0.00 C ATOM 688 O ALA A 46 22.440 5.369 15.177 1.00 0.00 O ATOM 689 CB ALA A 46 23.366 2.189 14.836 1.00 0.00 C ATOM 0 H ALA A 46 24.675 2.286 16.978 1.00 0.00 H new ATOM 0 HA ALA A 46 24.462 3.997 14.719 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.760 2.416 13.959 1.00 0.00 H new ATOM 0 HB2 ALA A 46 24.224 1.587 14.538 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.766 1.634 15.557 1.00 0.00 H new ATOM 695 N ILE A 47 22.034 4.124 16.992 1.00 0.00 N ATOM 696 CA ILE A 47 20.902 4.936 17.431 1.00 0.00 C ATOM 697 C ILE A 47 21.350 6.387 17.565 1.00 0.00 C ATOM 698 O ILE A 47 20.674 7.261 17.037 1.00 0.00 O ATOM 699 CB ILE A 47 20.276 4.407 18.734 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.311 3.240 18.487 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.487 5.472 19.528 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.922 1.904 18.085 1.00 0.00 C ATOM 0 H ILE A 47 22.265 3.351 17.616 1.00 0.00 H new ATOM 0 HA ILE A 47 20.116 4.874 16.679 1.00 0.00 H new ATOM 0 HB ILE A 47 21.140 4.086 19.316 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.729 3.085 19.395 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.611 3.540 17.707 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.077 5.022 20.432 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.153 6.291 19.800 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.673 5.856 18.913 1.00 0.00 H new ATOM 0 HD11 ILE A 47 19.129 1.170 17.942 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.478 2.023 17.155 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.597 1.562 18.870 1.00 0.00 H new ATOM 714 N ALA A 48 22.493 6.652 18.200 1.00 0.00 N ATOM 715 CA ALA A 48 22.984 8.011 18.358 1.00 0.00 C ATOM 716 C ALA A 48 23.271 8.651 17.006 1.00 0.00 C ATOM 717 O ALA A 48 22.881 9.789 16.759 1.00 0.00 O ATOM 718 CB ALA A 48 24.240 8.027 19.222 1.00 0.00 C ATOM 0 H ALA A 48 23.093 5.938 18.612 1.00 0.00 H new ATOM 0 HA ALA A 48 22.206 8.592 18.853 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.594 9.052 19.330 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.010 7.617 20.205 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.015 7.423 18.749 1.00 0.00 H new ATOM 724 N MET A 49 23.911 7.904 16.108 1.00 0.00 N ATOM 725 CA MET A 49 24.177 8.352 14.753 1.00 0.00 C ATOM 726 C MET A 49 22.893 8.663 14.005 1.00 0.00 C ATOM 727 O MET A 49 22.928 9.473 13.082 1.00 0.00 O ATOM 728 CB MET A 49 24.957 7.285 13.990 1.00 0.00 C ATOM 729 CG MET A 49 26.389 7.165 14.502 1.00 0.00 C ATOM 730 SD MET A 49 27.519 8.394 13.803 1.00 0.00 S ATOM 731 CE MET A 49 27.640 9.519 15.208 1.00 0.00 C ATOM 0 H MET A 49 24.259 6.966 16.307 1.00 0.00 H new ATOM 0 HA MET A 49 24.767 9.266 14.820 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.453 6.324 14.089 1.00 0.00 H new ATOM 0 HB3 MET A 49 24.969 7.531 12.928 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.386 7.263 15.588 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.765 6.168 14.273 1.00 0.00 H new ATOM 0 HE1 MET A 49 28.467 10.211 15.050 1.00 0.00 H new ATOM 0 HE2 MET A 49 26.711 10.080 15.306 1.00 0.00 H new ATOM 0 HE3 MET A 49 27.815 8.946 16.119 1.00 0.00 H new ATOM 741 N MET A 50 21.775 8.044 14.373 1.00 0.00 N ATOM 742 CA MET A 50 20.524 8.246 13.664 1.00 0.00 C ATOM 743 C MET A 50 19.740 9.345 14.367 1.00 0.00 C ATOM 744 O MET A 50 19.017 10.097 13.724 1.00 0.00 O ATOM 745 CB MET A 50 19.771 6.919 13.544 1.00 0.00 C ATOM 746 CG MET A 50 20.578 5.814 12.845 1.00 0.00 C ATOM 747 SD MET A 50 22.142 6.273 12.000 1.00 0.00 S ATOM 748 CE MET A 50 22.981 4.679 11.910 1.00 0.00 C ATOM 0 H MET A 50 21.714 7.398 15.160 1.00 0.00 H new ATOM 0 HA MET A 50 20.695 8.580 12.640 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.492 6.578 14.541 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.845 7.085 12.993 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.814 5.054 13.590 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.928 5.345 12.107 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.522 4.605 10.966 1.00 0.00 H new ATOM 0 HE2 MET A 50 23.683 4.590 12.739 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.246 3.877 11.970 1.00 0.00 H new ATOM 758 N GLU A 51 19.957 9.527 15.665 1.00 0.00 N ATOM 759 CA GLU A 51 19.464 10.645 16.438 1.00 0.00 C ATOM 760 C GLU A 51 20.092 11.950 15.935 1.00 0.00 C ATOM 761 O GLU A 51 19.417 12.982 15.915 1.00 0.00 O ATOM 762 CB GLU A 51 19.749 10.374 17.926 1.00 0.00 C ATOM 763 CG GLU A 51 19.058 11.360 18.879 1.00 0.00 C ATOM 764 CD GLU A 51 17.528 11.188 18.880 1.00 0.00 C ATOM 765 OE1 GLU A 51 16.837 11.838 18.060 1.00 0.00 O ATOM 766 OE2 GLU A 51 17.007 10.418 19.723 1.00 0.00 O ATOM 0 H GLU A 51 20.503 8.870 16.223 1.00 0.00 H new ATOM 0 HA GLU A 51 18.387 10.758 16.318 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.427 9.362 18.169 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.825 10.415 18.094 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.439 11.215 19.890 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.308 12.380 18.588 1.00 0.00 H new ATOM 773 N GLU A 52 21.330 11.899 15.417 1.00 0.00 N ATOM 774 CA GLU A 52 21.965 13.031 14.739 1.00 0.00 C ATOM 775 C GLU A 52 21.131 13.529 13.542 1.00 0.00 C ATOM 776 O GLU A 52 21.279 14.685 13.134 1.00 0.00 O ATOM 777 CB GLU A 52 23.380 12.704 14.230 1.00 0.00 C ATOM 778 CG GLU A 52 24.464 12.402 15.275 1.00 0.00 C ATOM 779 CD GLU A 52 25.872 12.633 14.709 1.00 0.00 C ATOM 780 OE1 GLU A 52 26.142 12.270 13.538 1.00 0.00 O ATOM 781 OE2 GLU A 52 26.735 13.169 15.441 1.00 0.00 O ATOM 0 H GLU A 52 21.917 11.066 15.459 1.00 0.00 H new ATOM 0 HA GLU A 52 22.030 13.811 15.498 1.00 0.00 H new ATOM 0 HB2 GLU A 52 23.306 11.843 13.565 1.00 0.00 H new ATOM 0 HB3 GLU A 52 23.722 13.545 13.626 1.00 0.00 H new ATOM 0 HG2 GLU A 52 24.314 13.035 16.150 1.00 0.00 H new ATOM 0 HG3 GLU A 52 24.370 11.369 15.610 1.00 0.00 H new ATOM 788 N VAL A 53 20.248 12.687 12.989 1.00 0.00 N ATOM 789 CA VAL A 53 19.416 12.969 11.831 1.00 0.00 C ATOM 790 C VAL A 53 17.919 12.775 12.160 1.00 0.00 C ATOM 791 O VAL A 53 17.073 12.859 11.267 1.00 0.00 O ATOM 792 CB VAL A 53 19.922 12.149 10.621 1.00 0.00 C ATOM 793 CG1 VAL A 53 21.273 12.678 10.106 1.00 0.00 C ATOM 794 CG2 VAL A 53 20.080 10.641 10.867 1.00 0.00 C ATOM 0 H VAL A 53 20.094 11.750 13.360 1.00 0.00 H new ATOM 0 HA VAL A 53 19.502 14.019 11.550 1.00 0.00 H new ATOM 0 HB VAL A 53 19.130 12.280 9.884 1.00 0.00 H new ATOM 0 HG11 VAL A 53 21.598 12.078 9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 53 21.163 13.717 9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 53 22.016 12.613 10.901 1.00 0.00 H new ATOM 0 HG21 VAL A 53 20.439 10.160 9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.796 10.477 11.672 1.00 0.00 H new ATOM 0 HG23 VAL A 53 19.116 10.215 11.147 1.00 0.00 H new ATOM 804 N GLY A 54 17.573 12.584 13.442 1.00 0.00 N ATOM 805 CA GLY A 54 16.197 12.506 13.921 1.00 0.00 C ATOM 806 C GLY A 54 15.477 11.230 13.470 1.00 0.00 C ATOM 807 O GLY A 54 14.307 11.301 13.083 1.00 0.00 O ATOM 0 H GLY A 54 18.262 12.478 14.186 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.194 12.553 15.010 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.644 13.374 13.563 1.00 0.00 H new ATOM 811 N ILE A 55 16.160 10.080 13.494 1.00 0.00 N ATOM 812 CA ILE A 55 15.643 8.778 13.087 1.00 0.00 C ATOM 813 C ILE A 55 15.788 7.815 14.275 1.00 0.00 C ATOM 814 O ILE A 55 16.696 7.962 15.098 1.00 0.00 O ATOM 815 CB ILE A 55 16.323 8.292 11.787 1.00 0.00 C ATOM 816 CG1 ILE A 55 16.065 9.341 10.691 1.00 0.00 C ATOM 817 CG2 ILE A 55 15.807 6.892 11.371 1.00 0.00 C ATOM 818 CD1 ILE A 55 16.527 8.874 9.323 1.00 0.00 C ATOM 0 H ILE A 55 17.128 10.034 13.812 1.00 0.00 H new ATOM 0 HA ILE A 55 14.584 8.836 12.835 1.00 0.00 H new ATOM 0 HB ILE A 55 17.396 8.187 11.946 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.000 9.569 10.653 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.580 10.266 10.949 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.305 6.579 10.453 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.022 6.175 12.163 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.731 6.936 11.203 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.322 9.650 8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.598 8.672 9.350 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.993 7.964 9.050 1.00 0.00 H new ATOM 830 N ASP A 56 14.913 6.807 14.338 1.00 0.00 N ATOM 831 CA ASP A 56 14.866 5.805 15.401 1.00 0.00 C ATOM 832 C ASP A 56 15.113 4.433 14.789 1.00 0.00 C ATOM 833 O ASP A 56 14.366 4.016 13.902 1.00 0.00 O ATOM 834 CB ASP A 56 13.497 5.831 16.101 1.00 0.00 C ATOM 835 CG ASP A 56 13.379 4.781 17.232 1.00 0.00 C ATOM 836 OD1 ASP A 56 13.431 3.558 16.956 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.182 5.193 18.402 1.00 0.00 O ATOM 0 H ASP A 56 14.196 6.663 13.627 1.00 0.00 H new ATOM 0 HA ASP A 56 15.633 6.024 16.144 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.325 6.825 16.515 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.714 5.653 15.364 1.00 0.00 H new ATOM 842 N ILE A 57 16.145 3.735 15.267 1.00 0.00 N ATOM 843 CA ILE A 57 16.404 2.330 14.955 1.00 0.00 C ATOM 844 C ILE A 57 16.576 1.491 16.234 1.00 0.00 C ATOM 845 O ILE A 57 16.977 0.332 16.181 1.00 0.00 O ATOM 846 CB ILE A 57 17.524 2.208 13.894 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.885 2.810 14.295 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.052 2.819 12.556 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.960 2.516 13.242 1.00 0.00 C ATOM 0 H ILE A 57 16.838 4.141 15.895 1.00 0.00 H new ATOM 0 HA ILE A 57 15.531 1.883 14.479 1.00 0.00 H new ATOM 0 HB ILE A 57 17.705 1.138 13.795 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.784 3.888 14.423 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.195 2.403 15.257 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.846 2.729 11.815 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.167 2.288 12.206 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.810 3.872 12.702 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.907 2.955 13.556 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.078 1.438 13.134 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.660 2.946 12.286 1.00 0.00 H new ATOM 861 N SER A 58 16.219 2.042 17.393 1.00 0.00 N ATOM 862 CA SER A 58 16.151 1.368 18.681 1.00 0.00 C ATOM 863 C SER A 58 14.881 0.518 18.832 1.00 0.00 C ATOM 864 O SER A 58 14.888 -0.456 19.589 1.00 0.00 O ATOM 865 CB SER A 58 16.231 2.412 19.807 1.00 0.00 C ATOM 866 OG SER A 58 16.267 3.755 19.317 1.00 0.00 O ATOM 0 H SER A 58 15.956 3.025 17.458 1.00 0.00 H new ATOM 0 HA SER A 58 16.997 0.684 18.744 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.372 2.294 20.467 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.122 2.225 20.407 1.00 0.00 H new ATOM 0 HG SER A 58 16.316 4.378 20.072 1.00 0.00 H new ATOM 872 N GLY A 59 13.803 0.844 18.111 1.00 0.00 N ATOM 873 CA GLY A 59 12.577 0.045 18.104 1.00 0.00 C ATOM 874 C GLY A 59 12.697 -1.229 17.253 1.00 0.00 C ATOM 875 O GLY A 59 11.780 -2.051 17.248 1.00 0.00 O ATOM 0 H GLY A 59 13.758 1.671 17.516 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.323 -0.231 19.128 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.756 0.653 17.725 1.00 0.00 H new ATOM 879 N GLN A 60 13.796 -1.383 16.504 1.00 0.00 N ATOM 880 CA GLN A 60 14.029 -2.490 15.592 1.00 0.00 C ATOM 881 C GLN A 60 14.422 -3.764 16.343 1.00 0.00 C ATOM 882 O GLN A 60 14.822 -3.730 17.509 1.00 0.00 O ATOM 883 CB GLN A 60 15.148 -2.102 14.616 1.00 0.00 C ATOM 884 CG GLN A 60 14.691 -1.010 13.655 1.00 0.00 C ATOM 885 CD GLN A 60 15.767 -0.683 12.623 1.00 0.00 C ATOM 886 OE1 GLN A 60 16.951 -0.893 12.849 1.00 0.00 O ATOM 887 NE2 GLN A 60 15.394 -0.161 11.473 1.00 0.00 N ATOM 0 H GLN A 60 14.567 -0.715 16.523 1.00 0.00 H new ATOM 0 HA GLN A 60 13.105 -2.694 15.052 1.00 0.00 H new ATOM 0 HB2 GLN A 60 16.018 -1.757 15.175 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.461 -2.980 14.050 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.782 -1.330 13.145 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.441 -0.111 14.218 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.406 0.013 11.288 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.093 0.070 10.767 1.00 0.00 H new ATOM 896 N THR A 61 14.383 -4.879 15.615 1.00 0.00 N ATOM 897 CA THR A 61 14.809 -6.200 16.056 1.00 0.00 C ATOM 898 C THR A 61 15.442 -6.971 14.876 1.00 0.00 C ATOM 899 O THR A 61 15.564 -6.418 13.775 1.00 0.00 O ATOM 900 CB THR A 61 13.613 -6.959 16.693 1.00 0.00 C ATOM 901 OG1 THR A 61 12.425 -6.794 15.926 1.00 0.00 O ATOM 902 CG2 THR A 61 13.337 -6.490 18.127 1.00 0.00 C ATOM 0 H THR A 61 14.036 -4.882 14.656 1.00 0.00 H new ATOM 0 HA THR A 61 15.575 -6.105 16.826 1.00 0.00 H new ATOM 0 HB THR A 61 13.896 -8.012 16.709 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.691 -7.284 16.351 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.493 -7.046 18.536 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.219 -6.665 18.743 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.102 -5.426 18.123 1.00 0.00 H new ATOM 910 N SER A 62 15.854 -8.228 15.094 1.00 0.00 N ATOM 911 CA SER A 62 16.276 -9.150 14.039 1.00 0.00 C ATOM 912 C SER A 62 15.260 -10.289 13.915 1.00 0.00 C ATOM 913 O SER A 62 14.358 -10.445 14.745 1.00 0.00 O ATOM 914 CB SER A 62 17.648 -9.753 14.359 1.00 0.00 C ATOM 915 OG SER A 62 18.354 -10.015 13.150 1.00 0.00 O ATOM 0 H SER A 62 15.903 -8.636 16.027 1.00 0.00 H new ATOM 0 HA SER A 62 16.338 -8.592 13.105 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.220 -9.067 14.984 1.00 0.00 H new ATOM 0 HB3 SER A 62 17.526 -10.675 14.927 1.00 0.00 H new ATOM 0 HG SER A 62 19.157 -10.541 13.347 1.00 0.00 H new ATOM 921 N ASP A 63 15.459 -11.120 12.895 1.00 0.00 N ATOM 922 CA ASP A 63 14.762 -12.387 12.689 1.00 0.00 C ATOM 923 C ASP A 63 15.578 -13.167 11.645 1.00 0.00 C ATOM 924 O ASP A 63 16.182 -12.520 10.781 1.00 0.00 O ATOM 925 CB ASP A 63 13.333 -12.134 12.184 1.00 0.00 C ATOM 926 CG ASP A 63 12.245 -12.631 13.156 1.00 0.00 C ATOM 927 OD1 ASP A 63 12.351 -13.763 13.685 1.00 0.00 O ATOM 928 OD2 ASP A 63 11.250 -11.896 13.372 1.00 0.00 O ATOM 0 H ASP A 63 16.137 -10.921 12.160 1.00 0.00 H new ATOM 0 HA ASP A 63 14.678 -12.950 13.619 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.199 -11.066 12.015 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.203 -12.628 11.221 1.00 0.00 H new ATOM 933 N PRO A 64 15.662 -14.510 11.694 1.00 0.00 N ATOM 934 CA PRO A 64 16.446 -15.288 10.736 1.00 0.00 C ATOM 935 C PRO A 64 15.965 -15.073 9.299 1.00 0.00 C ATOM 936 O PRO A 64 14.757 -15.049 9.051 1.00 0.00 O ATOM 937 CB PRO A 64 16.300 -16.759 11.155 1.00 0.00 C ATOM 938 CG PRO A 64 15.861 -16.691 12.616 1.00 0.00 C ATOM 939 CD PRO A 64 15.080 -15.383 12.702 1.00 0.00 C ATOM 0 HA PRO A 64 17.490 -14.974 10.748 1.00 0.00 H new ATOM 0 HB2 PRO A 64 15.563 -17.276 10.541 1.00 0.00 H new ATOM 0 HB3 PRO A 64 17.241 -17.299 11.047 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.241 -17.545 12.887 1.00 0.00 H new ATOM 0 HG3 PRO A 64 16.717 -16.691 13.291 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.019 -15.547 12.512 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.162 -14.943 13.696 1.00 0.00 H new ATOM 947 N ILE A 65 16.891 -15.015 8.337 1.00 0.00 N ATOM 948 CA ILE A 65 16.572 -14.850 6.917 1.00 0.00 C ATOM 949 C ILE A 65 15.695 -16.006 6.420 1.00 0.00 C ATOM 950 O ILE A 65 14.746 -15.800 5.668 1.00 0.00 O ATOM 951 CB ILE A 65 17.869 -14.642 6.094 1.00 0.00 C ATOM 952 CG1 ILE A 65 17.537 -14.235 4.640 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.806 -15.868 6.140 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.760 -13.985 3.747 1.00 0.00 C ATOM 0 H ILE A 65 17.891 -15.082 8.524 1.00 0.00 H new ATOM 0 HA ILE A 65 15.977 -13.948 6.776 1.00 0.00 H new ATOM 0 HB ILE A 65 18.416 -13.823 6.561 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.929 -15.018 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.929 -13.331 4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.698 -15.667 5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 65 19.094 -16.067 7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 65 18.288 -16.737 5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.429 -13.705 2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.360 -13.179 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 65 19.360 -14.893 3.690 1.00 0.00 H new ATOM 966 N GLU A 66 15.967 -17.214 6.909 1.00 0.00 N ATOM 967 CA GLU A 66 15.245 -18.415 6.523 1.00 0.00 C ATOM 968 C GLU A 66 13.833 -18.464 7.121 1.00 0.00 C ATOM 969 O GLU A 66 12.981 -19.202 6.621 1.00 0.00 O ATOM 970 CB GLU A 66 16.072 -19.642 6.936 1.00 0.00 C ATOM 971 CG GLU A 66 17.260 -19.876 5.992 1.00 0.00 C ATOM 972 CD GLU A 66 18.045 -21.142 6.386 1.00 0.00 C ATOM 973 OE1 GLU A 66 18.980 -21.048 7.219 1.00 0.00 O ATOM 974 OE2 GLU A 66 17.739 -22.240 5.860 1.00 0.00 O ATOM 0 H GLU A 66 16.705 -17.384 7.593 1.00 0.00 H new ATOM 0 HA GLU A 66 15.111 -18.410 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.438 -19.507 7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.433 -20.525 6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 66 16.900 -19.972 4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.923 -19.011 6.017 1.00 0.00 H new ATOM 981 N ASN A 67 13.561 -17.675 8.168 1.00 0.00 N ATOM 982 CA ASN A 67 12.217 -17.494 8.690 1.00 0.00 C ATOM 983 C ASN A 67 11.360 -16.645 7.740 1.00 0.00 C ATOM 984 O ASN A 67 10.133 -16.764 7.776 1.00 0.00 O ATOM 985 CB ASN A 67 12.237 -16.912 10.121 1.00 0.00 C ATOM 986 CG ASN A 67 11.452 -15.606 10.265 1.00 0.00 C ATOM 987 OD1 ASN A 67 10.311 -15.590 10.721 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.053 -14.499 9.865 1.00 0.00 N ATOM 0 H ASN A 67 14.274 -17.147 8.672 1.00 0.00 H new ATOM 0 HA ASN A 67 11.753 -18.478 8.753 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.826 -17.650 10.810 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.271 -16.739 10.419 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.569 -13.604 9.931 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.001 -14.540 9.490 1.00 0.00 H new ATOM 995 N PHE A 68 11.977 -15.783 6.920 1.00 0.00 N ATOM 996 CA PHE A 68 11.237 -14.828 6.112 1.00 0.00 C ATOM 997 C PHE A 68 10.649 -15.492 4.865 1.00 0.00 C ATOM 998 O PHE A 68 10.955 -16.639 4.524 1.00 0.00 O ATOM 999 CB PHE A 68 12.086 -13.583 5.791 1.00 0.00 C ATOM 1000 CG PHE A 68 12.129 -12.592 6.940 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.989 -11.823 7.251 1.00 0.00 C ATOM 1002 CD2 PHE A 68 13.289 -12.459 7.723 1.00 0.00 C ATOM 1003 CE1 PHE A 68 11.012 -10.937 8.343 1.00 0.00 C ATOM 1004 CE2 PHE A 68 13.313 -11.568 8.805 1.00 0.00 C ATOM 1005 CZ PHE A 68 12.174 -10.807 9.122 1.00 0.00 C ATOM 0 H PHE A 68 12.989 -15.735 6.805 1.00 0.00 H new ATOM 0 HA PHE A 68 10.389 -14.473 6.698 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.102 -13.894 5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.682 -13.091 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.097 -11.914 6.650 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.165 -13.046 7.490 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.134 -10.355 8.583 1.00 0.00 H new ATOM 0 HE2 PHE A 68 14.210 -11.466 9.398 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.192 -10.126 9.960 1.00 0.00 H new ATOM 1015 N ASN A 69 9.795 -14.726 4.184 1.00 0.00 N ATOM 1016 CA ASN A 69 9.050 -15.126 2.999 1.00 0.00 C ATOM 1017 C ASN A 69 9.090 -13.953 2.036 1.00 0.00 C ATOM 1018 O ASN A 69 8.094 -13.258 1.833 1.00 0.00 O ATOM 1019 CB ASN A 69 7.633 -15.642 3.325 1.00 0.00 C ATOM 1020 CG ASN A 69 6.842 -14.818 4.344 1.00 0.00 C ATOM 1021 OD1 ASN A 69 6.631 -15.249 5.475 1.00 0.00 O ATOM 1022 ND2 ASN A 69 6.386 -13.629 3.986 1.00 0.00 N ATOM 0 H ASN A 69 9.598 -13.764 4.461 1.00 0.00 H new ATOM 0 HA ASN A 69 9.512 -15.992 2.524 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.061 -15.686 2.398 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.715 -16.663 3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.856 -13.065 4.650 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.564 -13.276 3.046 1.00 0.00 H new ATOM 1029 N ALA A 70 10.286 -13.686 1.502 1.00 0.00 N ATOM 1030 CA ALA A 70 10.552 -12.594 0.593 1.00 0.00 C ATOM 1031 C ALA A 70 9.597 -12.535 -0.590 1.00 0.00 C ATOM 1032 O ALA A 70 9.417 -11.453 -1.140 1.00 0.00 O ATOM 1033 CB ALA A 70 11.954 -12.718 0.053 1.00 0.00 C ATOM 0 H ALA A 70 11.113 -14.248 1.704 1.00 0.00 H new ATOM 0 HA ALA A 70 10.417 -11.681 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.154 -11.894 -0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.666 -12.685 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.057 -13.665 -0.477 1.00 0.00 H new ATOM 1039 N ASP A 71 8.992 -13.669 -0.954 1.00 0.00 N ATOM 1040 CA ASP A 71 7.936 -13.745 -1.961 1.00 0.00 C ATOM 1041 C ASP A 71 6.919 -12.620 -1.767 1.00 0.00 C ATOM 1042 O ASP A 71 6.488 -11.994 -2.738 1.00 0.00 O ATOM 1043 CB ASP A 71 7.190 -15.081 -1.884 1.00 0.00 C ATOM 1044 CG ASP A 71 6.037 -15.085 -2.897 1.00 0.00 C ATOM 1045 OD1 ASP A 71 6.311 -15.123 -4.121 1.00 0.00 O ATOM 1046 OD2 ASP A 71 4.856 -15.075 -2.472 1.00 0.00 O ATOM 0 H ASP A 71 9.228 -14.575 -0.549 1.00 0.00 H new ATOM 0 HA ASP A 71 8.418 -13.650 -2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.874 -15.904 -2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.803 -15.236 -0.877 1.00 0.00 H new ATOM 1051 N ASP A 72 6.577 -12.355 -0.503 1.00 0.00 N ATOM 1052 CA ASP A 72 5.557 -11.392 -0.102 1.00 0.00 C ATOM 1053 C ASP A 72 6.044 -9.932 -0.106 1.00 0.00 C ATOM 1054 O ASP A 72 5.210 -9.025 -0.067 1.00 0.00 O ATOM 1055 CB ASP A 72 5.065 -11.770 1.300 1.00 0.00 C ATOM 1056 CG ASP A 72 3.857 -10.937 1.751 1.00 0.00 C ATOM 1057 OD1 ASP A 72 2.803 -10.968 1.071 1.00 0.00 O ATOM 1058 OD2 ASP A 72 3.938 -10.316 2.836 1.00 0.00 O ATOM 0 H ASP A 72 7.018 -12.821 0.290 1.00 0.00 H new ATOM 0 HA ASP A 72 4.754 -11.441 -0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.797 -12.827 1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.878 -11.638 2.013 1.00 0.00 H new ATOM 1063 N TYR A 73 7.360 -9.671 -0.165 1.00 0.00 N ATOM 1064 CA TYR A 73 7.921 -8.334 -0.034 1.00 0.00 C ATOM 1065 C TYR A 73 8.368 -7.866 -1.405 1.00 0.00 C ATOM 1066 O TYR A 73 9.326 -8.402 -1.960 1.00 0.00 O ATOM 1067 CB TYR A 73 9.074 -8.216 0.973 1.00 0.00 C ATOM 1068 CG TYR A 73 8.766 -8.677 2.382 1.00 0.00 C ATOM 1069 CD1 TYR A 73 8.577 -10.043 2.653 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.711 -7.745 3.432 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.316 -10.485 3.959 1.00 0.00 C ATOM 1072 CE2 TYR A 73 8.445 -8.178 4.747 1.00 0.00 C ATOM 1073 CZ TYR A 73 8.245 -9.552 5.016 1.00 0.00 C ATOM 1074 OH TYR A 73 7.956 -9.991 6.275 1.00 0.00 O ATOM 0 H TYR A 73 8.064 -10.396 -0.307 1.00 0.00 H new ATOM 0 HA TYR A 73 7.133 -7.698 0.370 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.919 -8.793 0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.392 -7.174 1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.633 -10.760 1.847 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.873 -6.696 3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.170 -11.537 4.155 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.394 -7.459 5.551 1.00 0.00 H new ATOM 0 HH TYR A 73 7.944 -9.230 6.892 1.00 0.00 H new ATOM 1084 N ASP A 74 7.685 -6.848 -1.930 1.00 0.00 N ATOM 1085 CA ASP A 74 7.836 -6.439 -3.328 1.00 0.00 C ATOM 1086 C ASP A 74 9.220 -5.888 -3.674 1.00 0.00 C ATOM 1087 O ASP A 74 9.516 -5.670 -4.847 1.00 0.00 O ATOM 1088 CB ASP A 74 6.780 -5.389 -3.684 1.00 0.00 C ATOM 1089 CG ASP A 74 6.389 -5.365 -5.175 1.00 0.00 C ATOM 1090 OD1 ASP A 74 6.373 -6.429 -5.840 1.00 0.00 O ATOM 1091 OD2 ASP A 74 5.984 -4.278 -5.653 1.00 0.00 O ATOM 0 H ASP A 74 7.016 -6.287 -1.403 1.00 0.00 H new ATOM 0 HA ASP A 74 7.703 -7.347 -3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.886 -5.573 -3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.153 -4.405 -3.402 1.00 0.00 H new ATOM 1096 N VAL A 75 10.068 -5.592 -2.688 1.00 0.00 N ATOM 1097 CA VAL A 75 11.325 -4.898 -2.907 1.00 0.00 C ATOM 1098 C VAL A 75 12.312 -5.459 -1.878 1.00 0.00 C ATOM 1099 O VAL A 75 12.050 -5.430 -0.676 1.00 0.00 O ATOM 1100 CB VAL A 75 11.021 -3.395 -2.782 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.201 -2.425 -2.608 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.094 -2.800 -3.852 1.00 0.00 C ATOM 0 H VAL A 75 9.895 -5.831 -1.712 1.00 0.00 H new ATOM 0 HA VAL A 75 11.779 -5.042 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 75 10.501 -3.455 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.825 -1.404 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.748 -2.677 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.868 -2.505 -3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.953 -1.736 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.541 -2.935 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.129 -3.306 -3.819 1.00 0.00 H new ATOM 1112 N VAL A 76 13.458 -5.975 -2.314 1.00 0.00 N ATOM 1113 CA VAL A 76 14.450 -6.566 -1.441 1.00 0.00 C ATOM 1114 C VAL A 76 15.731 -5.814 -1.686 1.00 0.00 C ATOM 1115 O VAL A 76 16.170 -5.701 -2.831 1.00 0.00 O ATOM 1116 CB VAL A 76 14.614 -8.054 -1.793 1.00 0.00 C ATOM 1117 CG1 VAL A 76 15.917 -8.644 -1.219 1.00 0.00 C ATOM 1118 CG2 VAL A 76 13.407 -8.862 -1.297 1.00 0.00 C ATOM 0 H VAL A 76 13.721 -5.991 -3.299 1.00 0.00 H new ATOM 0 HA VAL A 76 14.163 -6.503 -0.391 1.00 0.00 H new ATOM 0 HB VAL A 76 14.670 -8.123 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.991 -9.697 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 76 16.771 -8.103 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.911 -8.551 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.541 -9.912 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.322 -8.762 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.499 -8.486 -1.768 1.00 0.00 H new ATOM 1128 N ILE A 77 16.352 -5.389 -0.595 1.00 0.00 N ATOM 1129 CA ILE A 77 17.650 -4.773 -0.584 1.00 0.00 C ATOM 1130 C ILE A 77 18.452 -5.628 0.376 1.00 0.00 C ATOM 1131 O ILE A 77 18.390 -5.470 1.595 1.00 0.00 O ATOM 1132 CB ILE A 77 17.545 -3.310 -0.141 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.642 -2.443 -1.041 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.942 -2.687 -0.058 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.990 -2.424 -2.539 1.00 0.00 C ATOM 0 H ILE A 77 15.942 -5.472 0.335 1.00 0.00 H new ATOM 0 HA ILE A 77 18.124 -4.732 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 77 17.072 -3.327 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.615 -2.792 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.671 -1.419 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.858 -1.647 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.544 -3.238 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.419 -2.732 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.286 -1.781 -3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.002 -2.041 -2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.929 -3.436 -2.940 1.00 0.00 H new ATOM 1147 N SER A 78 19.143 -6.620 -0.157 1.00 0.00 N ATOM 1148 CA SER A 78 20.110 -7.325 0.651 1.00 0.00 C ATOM 1149 C SER A 78 21.353 -6.413 0.752 1.00 0.00 C ATOM 1150 O SER A 78 21.446 -5.393 0.066 1.00 0.00 O ATOM 1151 CB SER A 78 20.254 -8.729 0.063 1.00 0.00 C ATOM 1152 OG SER A 78 21.347 -9.436 0.596 1.00 0.00 O ATOM 0 H SER A 78 19.054 -6.946 -1.119 1.00 0.00 H new ATOM 0 HA SER A 78 19.839 -7.514 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.339 -9.291 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.368 -8.655 -1.018 1.00 0.00 H new ATOM 0 HG SER A 78 22.073 -9.460 -0.062 1.00 0.00 H new ATOM 1158 N LEU A 79 22.289 -6.701 1.653 1.00 0.00 N ATOM 1159 CA LEU A 79 23.567 -5.991 1.774 1.00 0.00 C ATOM 1160 C LEU A 79 24.658 -7.026 2.085 1.00 0.00 C ATOM 1161 O LEU A 79 25.604 -6.770 2.834 1.00 0.00 O ATOM 1162 CB LEU A 79 23.554 -4.871 2.842 1.00 0.00 C ATOM 1163 CG LEU A 79 22.602 -3.678 2.634 1.00 0.00 C ATOM 1164 CD1 LEU A 79 21.141 -3.953 3.019 1.00 0.00 C ATOM 1165 CD2 LEU A 79 23.105 -2.499 3.482 1.00 0.00 C ATOM 0 H LEU A 79 22.181 -7.451 2.336 1.00 0.00 H new ATOM 0 HA LEU A 79 23.764 -5.485 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.310 -5.328 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.567 -4.478 2.925 1.00 0.00 H new ATOM 0 HG LEU A 79 22.609 -3.465 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.543 -3.059 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.754 -4.775 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.087 -4.220 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.442 -1.645 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 79 23.117 -2.786 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 79 24.113 -2.229 3.168 1.00 0.00 H new ATOM 1177 N CYS A 80 24.486 -8.238 1.560 1.00 0.00 N ATOM 1178 CA CYS A 80 25.376 -9.361 1.791 1.00 0.00 C ATOM 1179 C CYS A 80 26.668 -9.244 0.961 1.00 0.00 C ATOM 1180 O CYS A 80 27.550 -10.087 1.130 1.00 0.00 O ATOM 1181 CB CYS A 80 24.610 -10.670 1.531 1.00 0.00 C ATOM 1182 SG CYS A 80 23.267 -10.867 2.746 1.00 0.00 S ATOM 0 H CYS A 80 23.703 -8.466 0.948 1.00 0.00 H new ATOM 0 HA CYS A 80 25.702 -9.360 2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.199 -10.665 0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 80 25.293 -11.517 1.592 1.00 0.00 H new ATOM 0 HG CYS A 80 22.162 -10.392 2.252 1.00 0.00 H new ATOM 1188 N GLY A 81 26.811 -8.226 0.098 1.00 0.00 N ATOM 1189 CA GLY A 81 28.062 -7.945 -0.604 1.00 0.00 C ATOM 1190 C GLY A 81 27.994 -8.411 -2.053 1.00 0.00 C ATOM 1191 O GLY A 81 28.988 -8.916 -2.573 1.00 0.00 O ATOM 0 H GLY A 81 26.058 -7.577 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.268 -6.875 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.888 -8.444 -0.097 1.00 0.00 H new ATOM 1195 N CYS A 82 26.806 -8.284 -2.660 1.00 0.00 N ATOM 1196 CA CYS A 82 26.427 -8.730 -4.000 1.00 0.00 C ATOM 1197 C CYS A 82 27.080 -10.061 -4.433 1.00 0.00 C ATOM 1198 O CYS A 82 27.578 -10.193 -5.555 1.00 0.00 O ATOM 1199 CB CYS A 82 26.561 -7.557 -4.988 1.00 0.00 C ATOM 1200 SG CYS A 82 28.279 -6.980 -5.188 1.00 0.00 S ATOM 0 H CYS A 82 26.026 -7.830 -2.185 1.00 0.00 H new ATOM 0 HA CYS A 82 25.374 -9.011 -3.992 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.172 -7.862 -5.959 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.944 -6.727 -4.643 1.00 0.00 H new ATOM 0 HG CYS A 82 29.045 -7.592 -4.334 1.00 0.00 H new ATOM 1206 N GLY A 83 27.078 -11.046 -3.527 1.00 0.00 N ATOM 1207 CA GLY A 83 27.759 -12.330 -3.690 1.00 0.00 C ATOM 1208 C GLY A 83 27.109 -13.381 -2.800 1.00 0.00 C ATOM 1209 O GLY A 83 27.792 -14.070 -2.043 1.00 0.00 O ATOM 0 H GLY A 83 26.588 -10.967 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 83 27.713 -12.646 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.814 -12.227 -3.434 1.00 0.00 H new ATOM 1213 N VAL A 84 25.775 -13.446 -2.839 1.00 0.00 N ATOM 1214 CA VAL A 84 24.931 -14.242 -1.965 1.00 0.00 C ATOM 1215 C VAL A 84 24.011 -15.136 -2.805 1.00 0.00 C ATOM 1216 O VAL A 84 23.758 -14.858 -3.981 1.00 0.00 O ATOM 1217 CB VAL A 84 24.215 -13.266 -1.004 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.315 -12.240 -1.718 1.00 0.00 C ATOM 1219 CG2 VAL A 84 23.435 -13.966 0.121 1.00 0.00 C ATOM 0 H VAL A 84 25.233 -12.914 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 84 25.496 -14.940 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 84 25.035 -12.717 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.847 -11.590 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 84 23.918 -11.639 -2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 84 22.543 -12.763 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 84 22.960 -13.217 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.672 -14.612 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 84 24.120 -14.566 0.720 1.00 0.00 H new ATOM 1229 N ASN A 85 23.501 -16.207 -2.190 1.00 0.00 N ATOM 1230 CA ASN A 85 22.697 -17.237 -2.841 1.00 0.00 C ATOM 1231 C ASN A 85 21.307 -17.256 -2.198 1.00 0.00 C ATOM 1232 O ASN A 85 20.880 -18.252 -1.607 1.00 0.00 O ATOM 1233 CB ASN A 85 23.436 -18.584 -2.782 1.00 0.00 C ATOM 1234 CG ASN A 85 22.833 -19.571 -3.779 1.00 0.00 C ATOM 1235 OD1 ASN A 85 22.133 -20.514 -3.421 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.100 -19.366 -5.061 1.00 0.00 N ATOM 0 H ASN A 85 23.642 -16.383 -1.195 1.00 0.00 H new ATOM 0 HA ASN A 85 22.552 -17.023 -3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 85 24.493 -18.435 -3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 85 23.376 -18.994 -1.774 1.00 0.00 H new ATOM 0 HD21 ASN A 85 22.722 -19.997 -5.768 1.00 0.00 H new ATOM 0 HD22 ASN A 85 23.683 -18.577 -5.341 1.00 0.00 H new ATOM 1243 N LEU A 86 20.646 -16.091 -2.218 1.00 0.00 N ATOM 1244 CA LEU A 86 19.301 -15.923 -1.658 1.00 0.00 C ATOM 1245 C LEU A 86 18.342 -16.885 -2.380 1.00 0.00 C ATOM 1246 O LEU A 86 18.497 -17.073 -3.594 1.00 0.00 O ATOM 1247 CB LEU A 86 18.785 -14.479 -1.841 1.00 0.00 C ATOM 1248 CG LEU A 86 19.689 -13.357 -1.295 1.00 0.00 C ATOM 1249 CD1 LEU A 86 19.124 -11.990 -1.681 1.00 0.00 C ATOM 1250 CD2 LEU A 86 19.867 -13.400 0.222 1.00 0.00 C ATOM 0 H LEU A 86 21.031 -15.238 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 86 19.346 -16.138 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.628 -14.304 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.811 -14.400 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 86 20.669 -13.518 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.771 -11.205 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 86 19.073 -11.911 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.124 -11.878 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.515 -12.581 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.895 -13.299 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.318 -14.350 0.509 1.00 0.00 H new ATOM 1262 N PRO A 87 17.345 -17.473 -1.688 1.00 0.00 N ATOM 1263 CA PRO A 87 16.295 -18.243 -2.342 1.00 0.00 C ATOM 1264 C PRO A 87 15.608 -17.444 -3.458 1.00 0.00 C ATOM 1265 O PRO A 87 15.496 -16.220 -3.334 1.00 0.00 O ATOM 1266 CB PRO A 87 15.291 -18.603 -1.253 1.00 0.00 C ATOM 1267 CG PRO A 87 16.106 -18.541 0.040 1.00 0.00 C ATOM 1268 CD PRO A 87 17.177 -17.485 -0.241 1.00 0.00 C ATOM 0 HA PRO A 87 16.715 -19.129 -2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.457 -17.902 -1.232 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.870 -19.596 -1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.484 -18.261 0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.552 -19.507 0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.868 -16.506 0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 87 18.113 -17.733 0.260 1.00 0.00 H new ATOM 1276 N PRO A 88 15.070 -18.098 -4.505 1.00 0.00 N ATOM 1277 CA PRO A 88 14.533 -17.398 -5.665 1.00 0.00 C ATOM 1278 C PRO A 88 13.447 -16.357 -5.365 1.00 0.00 C ATOM 1279 O PRO A 88 13.306 -15.379 -6.097 1.00 0.00 O ATOM 1280 CB PRO A 88 14.012 -18.486 -6.608 1.00 0.00 C ATOM 1281 CG PRO A 88 14.866 -19.700 -6.256 1.00 0.00 C ATOM 1282 CD PRO A 88 15.107 -19.533 -4.758 1.00 0.00 C ATOM 0 HA PRO A 88 15.329 -16.798 -6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.952 -18.681 -6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 88 14.130 -18.201 -7.654 1.00 0.00 H new ATOM 0 HG2 PRO A 88 14.350 -20.634 -6.479 1.00 0.00 H new ATOM 0 HG3 PRO A 88 15.801 -19.711 -6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.343 -20.051 -4.179 1.00 0.00 H new ATOM 0 HD3 PRO A 88 16.069 -19.956 -4.467 1.00 0.00 H new ATOM 1290 N GLU A 89 12.686 -16.520 -4.282 1.00 0.00 N ATOM 1291 CA GLU A 89 11.582 -15.630 -3.954 1.00 0.00 C ATOM 1292 C GLU A 89 12.056 -14.219 -3.607 1.00 0.00 C ATOM 1293 O GLU A 89 11.299 -13.252 -3.698 1.00 0.00 O ATOM 1294 CB GLU A 89 10.762 -16.235 -2.817 1.00 0.00 C ATOM 1295 CG GLU A 89 11.537 -16.620 -1.550 1.00 0.00 C ATOM 1296 CD GLU A 89 10.569 -17.117 -0.465 1.00 0.00 C ATOM 1297 OE1 GLU A 89 9.794 -16.288 0.065 1.00 0.00 O ATOM 1298 OE2 GLU A 89 10.589 -18.330 -0.141 1.00 0.00 O ATOM 0 H GLU A 89 12.821 -17.275 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 89 10.952 -15.530 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.985 -15.523 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.259 -17.125 -3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.264 -17.398 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.097 -15.760 -1.182 1.00 0.00 H new ATOM 1305 N TRP A 90 13.324 -14.089 -3.225 1.00 0.00 N ATOM 1306 CA TRP A 90 13.943 -12.812 -2.954 1.00 0.00 C ATOM 1307 C TRP A 90 14.236 -12.016 -4.229 1.00 0.00 C ATOM 1308 O TRP A 90 14.419 -10.805 -4.123 1.00 0.00 O ATOM 1309 CB TRP A 90 15.236 -13.030 -2.155 1.00 0.00 C ATOM 1310 CG TRP A 90 15.085 -13.528 -0.738 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.857 -14.804 -0.352 1.00 0.00 C ATOM 1312 CD2 TRP A 90 15.091 -12.766 0.507 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.732 -14.871 1.025 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.895 -13.638 1.612 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.107 -11.396 0.799 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.769 -13.166 2.928 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.028 -10.892 2.107 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.846 -11.784 3.183 1.00 0.00 C ATOM 0 H TRP A 90 13.951 -14.883 -3.096 1.00 0.00 H new ATOM 0 HA TRP A 90 13.237 -12.221 -2.371 1.00 0.00 H new ATOM 0 HB2 TRP A 90 15.857 -13.741 -2.701 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.781 -12.087 -2.127 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.783 -15.648 -1.021 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.542 -15.730 1.541 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.184 -10.696 -0.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 14.614 -13.860 3.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.106 -9.830 2.287 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.766 -11.411 4.193 1.00 0.00 H new ATOM 1329 N VAL A 91 14.262 -12.637 -5.418 1.00 0.00 N ATOM 1330 CA VAL A 91 14.748 -11.993 -6.631 1.00 0.00 C ATOM 1331 C VAL A 91 13.642 -11.702 -7.653 1.00 0.00 C ATOM 1332 O VAL A 91 13.859 -10.921 -8.579 1.00 0.00 O ATOM 1333 CB VAL A 91 15.962 -12.742 -7.224 1.00 0.00 C ATOM 1334 CG1 VAL A 91 17.058 -12.965 -6.166 1.00 0.00 C ATOM 1335 CG2 VAL A 91 15.658 -14.095 -7.880 1.00 0.00 C ATOM 0 H VAL A 91 13.946 -13.597 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 91 15.108 -11.006 -6.340 1.00 0.00 H new ATOM 0 HB VAL A 91 16.297 -12.074 -8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.897 -13.495 -6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.399 -12.002 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.655 -13.557 -5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.582 -14.530 -8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.218 -14.766 -7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.958 -13.951 -8.703 1.00 0.00 H new ATOM 1345 N THR A 92 12.453 -12.283 -7.486 1.00 0.00 N ATOM 1346 CA THR A 92 11.348 -12.202 -8.450 1.00 0.00 C ATOM 1347 C THR A 92 10.508 -10.916 -8.307 1.00 0.00 C ATOM 1348 O THR A 92 9.624 -10.625 -9.117 1.00 0.00 O ATOM 1349 CB THR A 92 10.503 -13.470 -8.260 1.00 0.00 C ATOM 1350 OG1 THR A 92 10.268 -13.700 -6.876 1.00 0.00 O ATOM 1351 CG2 THR A 92 11.281 -14.668 -8.811 1.00 0.00 C ATOM 0 H THR A 92 12.224 -12.836 -6.660 1.00 0.00 H new ATOM 0 HA THR A 92 11.746 -12.147 -9.463 1.00 0.00 H new ATOM 0 HB THR A 92 9.553 -13.344 -8.780 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.727 -14.510 -6.766 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.691 -15.575 -8.682 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.483 -14.514 -9.871 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.224 -14.768 -8.273 1.00 0.00 H new ATOM 1359 N GLN A 93 10.790 -10.164 -7.248 1.00 0.00 N ATOM 1360 CA GLN A 93 10.172 -8.949 -6.783 1.00 0.00 C ATOM 1361 C GLN A 93 10.344 -7.765 -7.746 1.00 0.00 C ATOM 1362 O GLN A 93 11.078 -7.860 -8.735 1.00 0.00 O ATOM 1363 CB GLN A 93 10.867 -8.705 -5.442 1.00 0.00 C ATOM 1364 CG GLN A 93 10.709 -9.813 -4.412 1.00 0.00 C ATOM 1365 CD GLN A 93 9.259 -10.290 -4.274 1.00 0.00 C ATOM 1366 OE1 GLN A 93 8.270 -9.577 -4.428 1.00 0.00 O ATOM 1367 NE2 GLN A 93 9.098 -11.566 -4.051 1.00 0.00 N ATOM 0 H GLN A 93 11.552 -10.435 -6.627 1.00 0.00 H new ATOM 0 HA GLN A 93 9.089 -9.043 -6.703 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.930 -8.553 -5.626 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.481 -7.779 -5.016 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.340 -10.657 -4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.064 -9.457 -3.445 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.911 -12.168 -3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.159 -11.961 -4.006 1.00 0.00 H new ATOM 1376 N GLU A 94 9.678 -6.639 -7.456 1.00 0.00 N ATOM 1377 CA GLU A 94 9.775 -5.420 -8.231 1.00 0.00 C ATOM 1378 C GLU A 94 11.185 -4.858 -8.067 1.00 0.00 C ATOM 1379 O GLU A 94 11.796 -4.469 -9.066 1.00 0.00 O ATOM 1380 CB GLU A 94 8.671 -4.442 -7.791 1.00 0.00 C ATOM 1381 CG GLU A 94 9.017 -2.958 -7.919 1.00 0.00 C ATOM 1382 CD GLU A 94 9.290 -2.482 -9.364 1.00 0.00 C ATOM 1383 OE1 GLU A 94 8.774 -3.090 -10.335 1.00 0.00 O ATOM 1384 OE2 GLU A 94 9.990 -1.456 -9.534 1.00 0.00 O ATOM 0 H GLU A 94 9.047 -6.561 -6.658 1.00 0.00 H new ATOM 0 HA GLU A 94 9.616 -5.605 -9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.777 -4.641 -8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.419 -4.650 -6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.197 -2.371 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.897 -2.750 -7.310 1.00 0.00 H new ATOM 1391 N ILE A 95 11.727 -4.896 -6.842 1.00 0.00 N ATOM 1392 CA ILE A 95 13.135 -4.589 -6.641 1.00 0.00 C ATOM 1393 C ILE A 95 13.819 -5.793 -6.027 1.00 0.00 C ATOM 1394 O ILE A 95 13.307 -6.421 -5.099 1.00 0.00 O ATOM 1395 CB ILE A 95 13.372 -3.359 -5.739 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.042 -2.005 -6.379 1.00 0.00 C ATOM 1397 CG2 ILE A 95 14.811 -3.258 -5.192 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.777 -1.666 -7.681 1.00 0.00 C ATOM 0 H ILE A 95 11.215 -5.133 -5.992 1.00 0.00 H new ATOM 0 HA ILE A 95 13.552 -4.349 -7.619 1.00 0.00 H new ATOM 0 HB ILE A 95 12.667 -3.548 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 95 11.970 -1.972 -6.574 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.258 -1.222 -5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 95 14.901 -2.369 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.038 -4.144 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.512 -3.190 -6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.459 -0.685 -8.034 1.00 0.00 H new ATOM 0 HD12 ILE A 95 14.852 -1.655 -7.500 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.544 -2.416 -8.436 1.00 0.00 H new ATOM 1410 N PHE A 96 15.002 -6.081 -6.551 1.00 0.00 N ATOM 1411 CA PHE A 96 15.936 -6.982 -5.943 1.00 0.00 C ATOM 1412 C PHE A 96 17.277 -6.343 -6.250 1.00 0.00 C ATOM 1413 O PHE A 96 17.689 -6.254 -7.411 1.00 0.00 O ATOM 1414 CB PHE A 96 15.890 -8.444 -6.387 1.00 0.00 C ATOM 1415 CG PHE A 96 17.141 -9.136 -5.861 1.00 0.00 C ATOM 1416 CD1 PHE A 96 17.432 -9.046 -4.486 1.00 0.00 C ATOM 1417 CD2 PHE A 96 18.117 -9.649 -6.738 1.00 0.00 C ATOM 1418 CE1 PHE A 96 18.676 -9.449 -3.988 1.00 0.00 C ATOM 1419 CE2 PHE A 96 19.356 -10.090 -6.231 1.00 0.00 C ATOM 1420 CZ PHE A 96 19.638 -9.989 -4.856 1.00 0.00 C ATOM 0 H PHE A 96 15.334 -5.680 -7.428 1.00 0.00 H new ATOM 0 HA PHE A 96 15.702 -7.090 -4.884 1.00 0.00 H new ATOM 0 HB2 PHE A 96 14.994 -8.931 -6.001 1.00 0.00 H new ATOM 0 HB3 PHE A 96 15.846 -8.511 -7.474 1.00 0.00 H new ATOM 0 HD1 PHE A 96 16.685 -8.661 -3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 96 17.916 -9.704 -7.798 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.896 -9.345 -2.936 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.093 -10.508 -6.901 1.00 0.00 H new ATOM 0 HZ PHE A 96 20.589 -10.325 -4.471 1.00 0.00 H new ATOM 1430 N GLU A 97 17.918 -5.860 -5.199 1.00 0.00 N ATOM 1431 CA GLU A 97 19.249 -5.314 -5.232 1.00 0.00 C ATOM 1432 C GLU A 97 19.971 -5.869 -4.010 1.00 0.00 C ATOM 1433 O GLU A 97 19.363 -6.367 -3.054 1.00 0.00 O ATOM 1434 CB GLU A 97 19.199 -3.775 -5.209 1.00 0.00 C ATOM 1435 CG GLU A 97 18.799 -3.167 -6.557 1.00 0.00 C ATOM 1436 CD GLU A 97 18.651 -1.637 -6.485 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.636 -0.939 -6.158 1.00 0.00 O ATOM 1438 OE2 GLU A 97 17.554 -1.114 -6.805 1.00 0.00 O ATOM 0 H GLU A 97 17.503 -5.840 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 97 19.775 -5.592 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.490 -3.452 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 97 20.177 -3.390 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.549 -3.423 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 97 17.857 -3.606 -6.886 1.00 0.00 H new ATOM 1445 N ASP A 98 21.287 -5.733 -4.048 1.00 0.00 N ATOM 1446 CA ASP A 98 22.149 -5.994 -2.909 1.00 0.00 C ATOM 1447 C ASP A 98 23.101 -4.810 -2.801 1.00 0.00 C ATOM 1448 O ASP A 98 24.000 -4.660 -3.633 1.00 0.00 O ATOM 1449 CB ASP A 98 22.881 -7.333 -2.998 1.00 0.00 C ATOM 1450 CG ASP A 98 23.624 -7.626 -1.687 1.00 0.00 C ATOM 1451 OD1 ASP A 98 24.659 -6.987 -1.395 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.187 -8.530 -0.944 1.00 0.00 O ATOM 0 H ASP A 98 21.792 -5.434 -4.882 1.00 0.00 H new ATOM 0 HA ASP A 98 21.550 -6.089 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.168 -8.131 -3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.588 -7.314 -3.827 1.00 0.00 H new ATOM 1457 N TRP A 99 22.836 -3.900 -1.864 1.00 0.00 N ATOM 1458 CA TRP A 99 23.662 -2.727 -1.635 1.00 0.00 C ATOM 1459 C TRP A 99 24.905 -3.177 -0.875 1.00 0.00 C ATOM 1460 O TRP A 99 24.939 -3.184 0.355 1.00 0.00 O ATOM 1461 CB TRP A 99 22.864 -1.605 -0.948 1.00 0.00 C ATOM 1462 CG TRP A 99 21.751 -1.007 -1.762 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.545 -1.185 -3.090 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.641 -0.170 -1.308 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.375 -0.570 -3.470 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.737 0.005 -2.398 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.279 0.418 -0.074 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.493 0.628 -2.246 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 19.030 1.055 0.086 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.130 1.119 -0.987 1.00 0.00 C ATOM 0 H TRP A 99 22.032 -3.962 -1.239 1.00 0.00 H new ATOM 0 HA TRP A 99 23.987 -2.281 -2.575 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.443 -1.998 -0.023 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.555 -0.809 -0.671 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.202 -1.729 -3.752 1.00 0.00 H new ATOM 0 HE1 TRP A 99 20.025 -0.544 -4.428 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.968 0.379 0.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.824 0.728 -3.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.767 1.494 1.037 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.151 1.550 -0.841 1.00 0.00 H new ATOM 1481 N GLN A 100 25.926 -3.558 -1.640 1.00 0.00 N ATOM 1482 CA GLN A 100 27.285 -3.918 -1.233 1.00 0.00 C ATOM 1483 C GLN A 100 28.065 -2.759 -0.559 1.00 0.00 C ATOM 1484 O GLN A 100 29.263 -2.583 -0.799 1.00 0.00 O ATOM 1485 CB GLN A 100 28.051 -4.466 -2.446 1.00 0.00 C ATOM 1486 CG GLN A 100 28.261 -3.516 -3.640 1.00 0.00 C ATOM 1487 CD GLN A 100 26.987 -3.251 -4.438 1.00 0.00 C ATOM 1488 OE1 GLN A 100 26.332 -2.228 -4.269 1.00 0.00 O ATOM 1489 NE2 GLN A 100 26.581 -4.194 -5.269 1.00 0.00 N ATOM 0 H GLN A 100 25.814 -3.629 -2.651 1.00 0.00 H new ATOM 0 HA GLN A 100 27.197 -4.688 -0.467 1.00 0.00 H new ATOM 0 HB2 GLN A 100 29.031 -4.798 -2.103 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.523 -5.349 -2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 100 28.655 -2.568 -3.275 1.00 0.00 H new ATOM 0 HG3 GLN A 100 29.014 -3.940 -4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 100 27.140 -5.038 -5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.708 -4.079 -5.784 1.00 0.00 H new ATOM 1498 N LEU A 101 27.379 -1.896 0.192 1.00 0.00 N ATOM 1499 CA LEU A 101 27.927 -0.646 0.694 1.00 0.00 C ATOM 1500 C LEU A 101 29.022 -0.857 1.752 1.00 0.00 C ATOM 1501 O LEU A 101 29.338 -1.986 2.131 1.00 0.00 O ATOM 1502 CB LEU A 101 26.768 0.263 1.203 1.00 0.00 C ATOM 1503 CG LEU A 101 26.474 1.519 0.356 1.00 0.00 C ATOM 1504 CD1 LEU A 101 27.627 2.527 0.379 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.146 1.167 -1.099 1.00 0.00 C ATOM 0 H LEU A 101 26.410 -2.054 0.470 1.00 0.00 H new ATOM 0 HA LEU A 101 28.429 -0.138 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.859 -0.336 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.001 0.580 2.219 1.00 0.00 H new ATOM 0 HG LEU A 101 25.601 1.980 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.367 3.391 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 101 27.808 2.850 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.528 2.059 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 101 25.946 2.081 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 101 26.992 0.645 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.266 0.524 -1.128 1.00 0.00 H new ATOM 1517 N GLU A 102 29.588 0.258 2.227 1.00 0.00 N ATOM 1518 CA GLU A 102 30.649 0.329 3.225 1.00 0.00 C ATOM 1519 C GLU A 102 30.314 -0.457 4.493 1.00 0.00 C ATOM 1520 O GLU A 102 29.170 -0.805 4.774 1.00 0.00 O ATOM 1521 CB GLU A 102 30.908 1.802 3.587 1.00 0.00 C ATOM 1522 CG GLU A 102 31.616 2.593 2.483 1.00 0.00 C ATOM 1523 CD GLU A 102 31.731 4.079 2.869 1.00 0.00 C ATOM 1524 OE1 GLU A 102 30.718 4.807 2.737 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.830 4.516 3.285 1.00 0.00 O ATOM 0 H GLU A 102 29.299 1.182 1.905 1.00 0.00 H new ATOM 0 HA GLU A 102 31.540 -0.123 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 102 29.957 2.284 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.510 1.843 4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.609 2.178 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.064 2.496 1.548 1.00 0.00 H new ATOM 1532 N ASP A 103 31.347 -0.688 5.290 1.00 0.00 N ATOM 1533 CA ASP A 103 31.360 -1.486 6.509 1.00 0.00 C ATOM 1534 C ASP A 103 31.804 -0.583 7.667 1.00 0.00 C ATOM 1535 O ASP A 103 32.989 -0.251 7.771 1.00 0.00 O ATOM 1536 CB ASP A 103 32.318 -2.671 6.340 1.00 0.00 C ATOM 1537 CG ASP A 103 32.481 -3.427 7.666 1.00 0.00 C ATOM 1538 OD1 ASP A 103 31.569 -3.323 8.519 1.00 0.00 O ATOM 1539 OD2 ASP A 103 33.496 -4.151 7.821 1.00 0.00 O ATOM 0 H ASP A 103 32.266 -0.294 5.087 1.00 0.00 H new ATOM 0 HA ASP A 103 30.367 -1.884 6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 103 31.938 -3.347 5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 103 33.289 -2.314 5.997 1.00 0.00 H new ATOM 1544 N PRO A 104 30.866 -0.122 8.513 1.00 0.00 N ATOM 1545 CA PRO A 104 31.187 0.672 9.685 1.00 0.00 C ATOM 1546 C PRO A 104 31.619 -0.190 10.882 1.00 0.00 C ATOM 1547 O PRO A 104 31.972 0.399 11.895 1.00 0.00 O ATOM 1548 CB PRO A 104 29.909 1.461 9.984 1.00 0.00 C ATOM 1549 CG PRO A 104 28.804 0.495 9.549 1.00 0.00 C ATOM 1550 CD PRO A 104 29.425 -0.296 8.398 1.00 0.00 C ATOM 0 HA PRO A 104 32.040 1.325 9.501 1.00 0.00 H new ATOM 0 HB2 PRO A 104 29.830 1.717 11.041 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.871 2.396 9.426 1.00 0.00 H new ATOM 0 HG2 PRO A 104 28.505 -0.161 10.366 1.00 0.00 H new ATOM 0 HG3 PRO A 104 27.911 1.031 9.227 1.00 0.00 H new ATOM 0 HD2 PRO A 104 29.154 -1.350 8.460 1.00 0.00 H new ATOM 0 HD3 PRO A 104 29.065 0.069 7.436 1.00 0.00 H new ATOM 1558 N ASP A 105 31.628 -1.529 10.777 1.00 0.00 N ATOM 1559 CA ASP A 105 32.040 -2.521 11.782 1.00 0.00 C ATOM 1560 C ASP A 105 31.894 -2.025 13.230 1.00 0.00 C ATOM 1561 O ASP A 105 30.786 -1.997 13.770 1.00 0.00 O ATOM 1562 CB ASP A 105 33.467 -3.010 11.466 1.00 0.00 C ATOM 1563 CG ASP A 105 33.933 -4.082 12.469 1.00 0.00 C ATOM 1564 OD1 ASP A 105 33.141 -4.989 12.823 1.00 0.00 O ATOM 1565 OD2 ASP A 105 35.096 -3.994 12.927 1.00 0.00 O ATOM 0 H ASP A 105 31.322 -1.982 9.916 1.00 0.00 H new ATOM 0 HA ASP A 105 31.355 -3.366 11.715 1.00 0.00 H new ATOM 0 HB2 ASP A 105 33.497 -3.418 10.456 1.00 0.00 H new ATOM 0 HB3 ASP A 105 34.155 -2.165 11.489 1.00 0.00 H new ATOM 1570 N GLY A 106 33.006 -1.577 13.811 1.00 0.00 N ATOM 1571 CA GLY A 106 33.115 -0.866 15.080 1.00 0.00 C ATOM 1572 C GLY A 106 34.062 0.327 14.912 1.00 0.00 C ATOM 1573 O GLY A 106 34.922 0.572 15.762 1.00 0.00 O ATOM 0 H GLY A 106 33.918 -1.712 13.375 1.00 0.00 H new ATOM 0 HA2 GLY A 106 32.132 -0.522 15.403 1.00 0.00 H new ATOM 0 HA3 GLY A 106 33.489 -1.536 15.854 1.00 0.00 H new ATOM 1577 N GLN A 107 33.970 0.995 13.758 1.00 0.00 N ATOM 1578 CA GLN A 107 34.802 2.110 13.338 1.00 0.00 C ATOM 1579 C GLN A 107 34.533 3.387 14.134 1.00 0.00 C ATOM 1580 O GLN A 107 33.724 3.437 15.065 1.00 0.00 O ATOM 1581 CB GLN A 107 34.601 2.359 11.826 1.00 0.00 C ATOM 1582 CG GLN A 107 35.188 1.204 11.002 1.00 0.00 C ATOM 1583 CD GLN A 107 35.880 1.693 9.730 1.00 0.00 C ATOM 1584 OE1 GLN A 107 36.924 2.339 9.787 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.324 1.429 8.560 1.00 0.00 N ATOM 0 H GLN A 107 33.270 0.752 13.057 1.00 0.00 H new ATOM 0 HA GLN A 107 35.839 1.839 13.537 1.00 0.00 H new ATOM 0 HB2 GLN A 107 33.538 2.464 11.608 1.00 0.00 H new ATOM 0 HB3 GLN A 107 35.079 3.296 11.540 1.00 0.00 H new ATOM 0 HG2 GLN A 107 35.902 0.651 11.612 1.00 0.00 H new ATOM 0 HG3 GLN A 107 34.392 0.509 10.736 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.458 0.893 8.517 1.00 0.00 H new ATOM 0 HE22 GLN A 107 35.762 1.762 7.701 1.00 0.00 H new ATOM 1594 N SER A 108 35.242 4.437 13.720 1.00 0.00 N ATOM 1595 CA SER A 108 35.071 5.797 14.203 1.00 0.00 C ATOM 1596 C SER A 108 33.671 6.292 13.831 1.00 0.00 C ATOM 1597 O SER A 108 33.095 5.835 12.837 1.00 0.00 O ATOM 1598 CB SER A 108 36.162 6.693 13.593 1.00 0.00 C ATOM 1599 OG SER A 108 37.452 6.117 13.787 1.00 0.00 O ATOM 0 H SER A 108 35.975 4.356 13.015 1.00 0.00 H new ATOM 0 HA SER A 108 35.169 5.830 15.288 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.975 6.829 12.528 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.127 7.681 14.051 1.00 0.00 H new ATOM 0 HG SER A 108 38.133 6.700 13.391 1.00 0.00 H new ATOM 1605 N LEU A 109 33.159 7.284 14.570 1.00 0.00 N ATOM 1606 CA LEU A 109 31.850 7.889 14.303 1.00 0.00 C ATOM 1607 C LEU A 109 31.778 8.422 12.882 1.00 0.00 C ATOM 1608 O LEU A 109 30.716 8.396 12.282 1.00 0.00 O ATOM 1609 CB LEU A 109 31.522 9.031 15.286 1.00 0.00 C ATOM 1610 CG LEU A 109 31.292 8.641 16.764 1.00 0.00 C ATOM 1611 CD1 LEU A 109 30.665 9.828 17.511 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.406 7.401 16.939 1.00 0.00 C ATOM 0 H LEU A 109 33.642 7.690 15.371 1.00 0.00 H new ATOM 0 HA LEU A 109 31.113 7.098 14.438 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.337 9.754 15.249 1.00 0.00 H new ATOM 0 HB3 LEU A 109 30.628 9.540 14.927 1.00 0.00 H new ATOM 0 HG LEU A 109 32.268 8.388 17.179 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.501 9.556 18.554 1.00 0.00 H new ATOM 0 HD12 LEU A 109 31.336 10.685 17.460 1.00 0.00 H new ATOM 0 HD13 LEU A 109 29.712 10.086 17.049 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.287 7.186 18.001 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.428 7.587 16.495 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.872 6.548 16.446 1.00 0.00 H new ATOM 1624 N GLU A 110 32.896 8.873 12.314 1.00 0.00 N ATOM 1625 CA GLU A 110 32.915 9.416 10.960 1.00 0.00 C ATOM 1626 C GLU A 110 32.489 8.366 9.954 1.00 0.00 C ATOM 1627 O GLU A 110 31.717 8.684 9.050 1.00 0.00 O ATOM 1628 CB GLU A 110 34.313 9.922 10.600 1.00 0.00 C ATOM 1629 CG GLU A 110 34.629 11.171 11.416 1.00 0.00 C ATOM 1630 CD GLU A 110 35.960 11.815 10.990 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.029 11.412 11.512 1.00 0.00 O ATOM 1632 OE2 GLU A 110 35.946 12.741 10.140 1.00 0.00 O ATOM 0 H GLU A 110 33.805 8.872 12.776 1.00 0.00 H new ATOM 0 HA GLU A 110 32.212 10.249 10.927 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.054 9.148 10.799 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.366 10.148 9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 110 33.822 11.894 11.299 1.00 0.00 H new ATOM 0 HG3 GLU A 110 34.674 10.912 12.474 1.00 0.00 H new ATOM 1639 N VAL A 111 32.933 7.113 10.097 1.00 0.00 N ATOM 1640 CA VAL A 111 32.506 6.098 9.159 1.00 0.00 C ATOM 1641 C VAL A 111 31.054 5.749 9.433 1.00 0.00 C ATOM 1642 O VAL A 111 30.293 5.725 8.476 1.00 0.00 O ATOM 1643 CB VAL A 111 33.473 4.901 9.125 1.00 0.00 C ATOM 1644 CG1 VAL A 111 33.013 3.937 8.022 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.903 5.369 8.808 1.00 0.00 C ATOM 0 H VAL A 111 33.566 6.795 10.831 1.00 0.00 H new ATOM 0 HA VAL A 111 32.548 6.484 8.141 1.00 0.00 H new ATOM 0 HB VAL A 111 33.471 4.411 10.099 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.687 3.081 7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 111 32.002 3.593 8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 111 33.024 4.452 7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.572 4.508 8.788 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.917 5.862 7.836 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.235 6.069 9.575 1.00 0.00 H new ATOM 1655 N PHE A 112 30.619 5.610 10.689 1.00 0.00 N ATOM 1656 CA PHE A 112 29.185 5.492 10.985 1.00 0.00 C ATOM 1657 C PHE A 112 28.369 6.586 10.262 1.00 0.00 C ATOM 1658 O PHE A 112 27.423 6.254 9.547 1.00 0.00 O ATOM 1659 CB PHE A 112 28.914 5.515 12.492 1.00 0.00 C ATOM 1660 CG PHE A 112 29.119 4.208 13.234 1.00 0.00 C ATOM 1661 CD1 PHE A 112 30.398 3.630 13.353 1.00 0.00 C ATOM 1662 CD2 PHE A 112 28.021 3.591 13.865 1.00 0.00 C ATOM 1663 CE1 PHE A 112 30.572 2.448 14.090 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.209 2.431 14.632 1.00 0.00 C ATOM 1665 CZ PHE A 112 29.481 1.847 14.736 1.00 0.00 C ATOM 0 H PHE A 112 31.227 5.577 11.507 1.00 0.00 H new ATOM 0 HA PHE A 112 28.859 4.524 10.606 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.559 6.269 12.944 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.885 5.839 12.649 1.00 0.00 H new ATOM 0 HD1 PHE A 112 31.247 4.097 12.876 1.00 0.00 H new ATOM 0 HD2 PHE A 112 27.032 4.012 13.758 1.00 0.00 H new ATOM 0 HE1 PHE A 112 31.552 1.999 14.160 1.00 0.00 H new ATOM 0 HE2 PHE A 112 27.370 1.985 15.145 1.00 0.00 H new ATOM 0 HZ PHE A 112 29.619 0.942 15.309 1.00 0.00 H new ATOM 1675 N ARG A 113 28.768 7.863 10.356 1.00 0.00 N ATOM 1676 CA ARG A 113 28.100 8.976 9.662 1.00 0.00 C ATOM 1677 C ARG A 113 28.129 8.776 8.154 1.00 0.00 C ATOM 1678 O ARG A 113 27.127 9.011 7.483 1.00 0.00 O ATOM 1679 CB ARG A 113 28.782 10.328 9.961 1.00 0.00 C ATOM 1680 CG ARG A 113 28.599 10.846 11.394 1.00 0.00 C ATOM 1681 CD ARG A 113 29.191 12.250 11.547 1.00 0.00 C ATOM 1682 NE ARG A 113 28.887 12.810 12.875 1.00 0.00 N ATOM 1683 CZ ARG A 113 29.674 13.608 13.611 1.00 0.00 C ATOM 1684 NH1 ARG A 113 30.864 14.010 13.162 1.00 0.00 N ATOM 1685 NH2 ARG A 113 29.255 14.005 14.803 1.00 0.00 N ATOM 0 H ARG A 113 29.567 8.155 10.918 1.00 0.00 H new ATOM 0 HA ARG A 113 27.073 8.989 10.028 1.00 0.00 H new ATOM 0 HB2 ARG A 113 29.849 10.232 9.759 1.00 0.00 H new ATOM 0 HB3 ARG A 113 28.393 11.075 9.269 1.00 0.00 H new ATOM 0 HG2 ARG A 113 27.539 10.865 11.646 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.081 10.165 12.095 1.00 0.00 H new ATOM 0 HD2 ARG A 113 30.271 12.211 11.404 1.00 0.00 H new ATOM 0 HD3 ARG A 113 28.790 12.904 10.772 1.00 0.00 H new ATOM 0 HE ARG A 113 27.982 12.565 13.277 1.00 0.00 H new ATOM 0 HH11 ARG A 113 31.190 13.710 12.243 1.00 0.00 H new ATOM 0 HH12 ARG A 113 31.448 14.617 13.737 1.00 0.00 H new ATOM 0 HH21 ARG A 113 28.344 13.704 15.150 1.00 0.00 H new ATOM 0 HH22 ARG A 113 29.843 14.612 15.374 1.00 0.00 H new ATOM 1699 N THR A 114 29.273 8.371 7.620 1.00 0.00 N ATOM 1700 CA THR A 114 29.463 8.285 6.187 1.00 0.00 C ATOM 1701 C THR A 114 28.606 7.154 5.627 1.00 0.00 C ATOM 1702 O THR A 114 27.940 7.359 4.611 1.00 0.00 O ATOM 1703 CB THR A 114 30.953 8.094 5.871 1.00 0.00 C ATOM 1704 OG1 THR A 114 31.705 9.175 6.393 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.212 8.033 4.364 1.00 0.00 C ATOM 0 H THR A 114 30.088 8.095 8.168 1.00 0.00 H new ATOM 0 HA THR A 114 29.144 9.211 5.709 1.00 0.00 H new ATOM 0 HB THR A 114 31.254 7.151 6.328 1.00 0.00 H new ATOM 0 HG1 THR A 114 31.674 9.152 7.372 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.278 7.897 4.183 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.662 7.196 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 114 30.881 8.962 3.900 1.00 0.00 H new ATOM 1713 N VAL A 115 28.573 5.988 6.283 1.00 0.00 N ATOM 1714 CA VAL A 115 27.868 4.841 5.718 1.00 0.00 C ATOM 1715 C VAL A 115 26.382 5.156 5.743 1.00 0.00 C ATOM 1716 O VAL A 115 25.711 5.039 4.727 1.00 0.00 O ATOM 1717 CB VAL A 115 28.213 3.508 6.415 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.517 2.337 5.695 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.728 3.250 6.423 1.00 0.00 C ATOM 0 H VAL A 115 29.017 5.819 7.186 1.00 0.00 H new ATOM 0 HA VAL A 115 28.195 4.686 4.690 1.00 0.00 H new ATOM 0 HB VAL A 115 27.863 3.580 7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.768 1.402 6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.437 2.484 5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.853 2.296 4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.933 2.303 6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 115 30.095 3.207 5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.232 4.057 6.955 1.00 0.00 H new ATOM 1729 N ARG A 116 25.895 5.656 6.880 1.00 0.00 N ATOM 1730 CA ARG A 116 24.561 6.219 7.038 1.00 0.00 C ATOM 1731 C ARG A 116 24.225 7.160 5.884 1.00 0.00 C ATOM 1732 O ARG A 116 23.227 6.942 5.210 1.00 0.00 O ATOM 1733 CB ARG A 116 24.575 6.908 8.410 1.00 0.00 C ATOM 1734 CG ARG A 116 23.402 7.825 8.748 1.00 0.00 C ATOM 1735 CD ARG A 116 23.812 8.711 9.920 1.00 0.00 C ATOM 1736 NE ARG A 116 24.398 9.998 9.470 1.00 0.00 N ATOM 1737 CZ ARG A 116 24.904 10.949 10.268 1.00 0.00 C ATOM 1738 NH1 ARG A 116 24.828 10.832 11.582 1.00 0.00 N ATOM 1739 NH2 ARG A 116 25.512 12.008 9.747 1.00 0.00 N ATOM 0 H ARG A 116 26.440 5.679 7.742 1.00 0.00 H new ATOM 0 HA ARG A 116 23.776 5.463 7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.628 6.134 9.175 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.492 7.493 8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.136 8.435 7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.522 7.237 9.006 1.00 0.00 H new ATOM 0 HD2 ARG A 116 22.942 8.909 10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.536 8.181 10.539 1.00 0.00 H new ATOM 0 HE ARG A 116 24.417 10.174 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 116 24.382 10.014 11.996 1.00 0.00 H new ATOM 0 HH12 ARG A 116 25.216 11.560 12.182 1.00 0.00 H new ATOM 0 HH21 ARG A 116 25.596 12.101 8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 116 25.895 12.728 10.359 1.00 0.00 H new ATOM 1753 N GLY A 117 25.038 8.184 5.618 1.00 0.00 N ATOM 1754 CA GLY A 117 24.714 9.155 4.576 1.00 0.00 C ATOM 1755 C GLY A 117 24.675 8.505 3.199 1.00 0.00 C ATOM 1756 O GLY A 117 23.734 8.725 2.442 1.00 0.00 O ATOM 0 H GLY A 117 25.917 8.360 6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 117 23.748 9.612 4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.454 9.956 4.581 1.00 0.00 H new ATOM 1760 N GLN A 118 25.633 7.635 2.882 1.00 0.00 N ATOM 1761 CA GLN A 118 25.628 6.938 1.606 1.00 0.00 C ATOM 1762 C GLN A 118 24.408 6.037 1.470 1.00 0.00 C ATOM 1763 O GLN A 118 23.815 5.973 0.395 1.00 0.00 O ATOM 1764 CB GLN A 118 26.944 6.177 1.414 1.00 0.00 C ATOM 1765 CG GLN A 118 28.109 7.161 1.212 1.00 0.00 C ATOM 1766 CD GLN A 118 29.006 6.726 0.055 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.685 6.963 -1.110 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.116 6.064 0.329 1.00 0.00 N ATOM 0 H GLN A 118 26.417 7.400 3.491 1.00 0.00 H new ATOM 0 HA GLN A 118 25.554 7.674 0.805 1.00 0.00 H new ATOM 0 HB2 GLN A 118 27.138 5.548 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 118 26.866 5.515 0.552 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.716 8.158 1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.697 7.225 2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.371 5.874 1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.718 5.743 -0.429 1.00 0.00 H new ATOM 1777 N VAL A 119 23.991 5.397 2.557 1.00 0.00 N ATOM 1778 CA VAL A 119 22.771 4.610 2.600 1.00 0.00 C ATOM 1779 C VAL A 119 21.582 5.524 2.347 1.00 0.00 C ATOM 1780 O VAL A 119 20.707 5.133 1.587 1.00 0.00 O ATOM 1781 CB VAL A 119 22.678 3.872 3.947 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.287 3.309 4.222 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.658 2.686 3.980 1.00 0.00 C ATOM 0 H VAL A 119 24.499 5.412 3.441 1.00 0.00 H new ATOM 0 HA VAL A 119 22.774 3.849 1.820 1.00 0.00 H new ATOM 0 HB VAL A 119 22.920 4.616 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.284 2.800 5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.562 4.123 4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 119 21.019 2.601 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.579 2.175 4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.414 1.990 3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.676 3.051 3.846 1.00 0.00 H new ATOM 1793 N LYS A 120 21.538 6.736 2.911 1.00 0.00 N ATOM 1794 CA LYS A 120 20.390 7.626 2.738 1.00 0.00 C ATOM 1795 C LYS A 120 20.142 7.917 1.266 1.00 0.00 C ATOM 1796 O LYS A 120 18.991 7.961 0.844 1.00 0.00 O ATOM 1797 CB LYS A 120 20.515 8.878 3.635 1.00 0.00 C ATOM 1798 CG LYS A 120 21.177 10.163 3.084 1.00 0.00 C ATOM 1799 CD LYS A 120 20.237 11.378 3.026 1.00 0.00 C ATOM 1800 CE LYS A 120 19.153 11.235 1.944 1.00 0.00 C ATOM 1801 NZ LYS A 120 18.301 12.452 1.839 1.00 0.00 N ATOM 0 H LYS A 120 22.284 7.121 3.490 1.00 0.00 H new ATOM 0 HA LYS A 120 19.488 7.121 3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 120 19.509 9.145 3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 120 21.070 8.584 4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 120 22.037 10.412 3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 120 21.556 9.962 2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 120 19.761 11.511 3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 120 20.822 12.277 2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 120 19.626 11.040 0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 120 18.526 10.373 2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.574 12.305 1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 17.842 12.634 2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 18.891 13.268 1.579 1.00 0.00 H new ATOM 1815 N GLU A 121 21.204 8.065 0.477 1.00 0.00 N ATOM 1816 CA GLU A 121 21.106 8.287 -0.960 1.00 0.00 C ATOM 1817 C GLU A 121 20.586 7.032 -1.664 1.00 0.00 C ATOM 1818 O GLU A 121 19.727 7.145 -2.536 1.00 0.00 O ATOM 1819 CB GLU A 121 22.477 8.679 -1.540 1.00 0.00 C ATOM 1820 CG GLU A 121 23.033 9.998 -0.988 1.00 0.00 C ATOM 1821 CD GLU A 121 24.392 10.332 -1.628 1.00 0.00 C ATOM 1822 OE1 GLU A 121 25.397 9.644 -1.328 1.00 0.00 O ATOM 1823 OE2 GLU A 121 24.468 11.293 -2.433 1.00 0.00 O ATOM 0 H GLU A 121 22.163 8.034 0.822 1.00 0.00 H new ATOM 0 HA GLU A 121 20.404 9.103 -1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.190 7.881 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.393 8.757 -2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 121 22.327 10.805 -1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.144 9.926 0.094 1.00 0.00 H new ATOM 1830 N ARG A 122 21.067 5.831 -1.310 1.00 0.00 N ATOM 1831 CA ARG A 122 20.604 4.595 -1.956 1.00 0.00 C ATOM 1832 C ARG A 122 19.152 4.316 -1.589 1.00 0.00 C ATOM 1833 O ARG A 122 18.353 4.020 -2.472 1.00 0.00 O ATOM 1834 CB ARG A 122 21.497 3.394 -1.593 1.00 0.00 C ATOM 1835 CG ARG A 122 22.764 3.295 -2.459 1.00 0.00 C ATOM 1836 CD ARG A 122 23.837 4.337 -2.132 1.00 0.00 C ATOM 1837 NE ARG A 122 25.002 4.250 -3.033 1.00 0.00 N ATOM 1838 CZ ARG A 122 26.095 5.020 -2.952 1.00 0.00 C ATOM 1839 NH1 ARG A 122 26.156 6.010 -2.067 1.00 0.00 N ATOM 1840 NH2 ARG A 122 27.131 4.793 -3.750 1.00 0.00 N ATOM 0 H ARG A 122 21.771 5.690 -0.586 1.00 0.00 H new ATOM 0 HA ARG A 122 20.672 4.738 -3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.787 3.469 -0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 122 20.920 2.476 -1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 122 23.193 2.300 -2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 122 22.482 3.398 -3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 122 23.403 5.335 -2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 122 24.167 4.203 -1.102 1.00 0.00 H new ATOM 0 HE ARG A 122 24.973 3.550 -3.774 1.00 0.00 H new ATOM 0 HH11 ARG A 122 25.368 6.187 -1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 122 26.991 6.593 -2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 122 27.096 4.031 -4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 122 27.962 5.381 -3.686 1.00 0.00 H new ATOM 1854 N VAL A 123 18.781 4.503 -0.322 1.00 0.00 N ATOM 1855 CA VAL A 123 17.409 4.450 0.136 1.00 0.00 C ATOM 1856 C VAL A 123 16.569 5.401 -0.705 1.00 0.00 C ATOM 1857 O VAL A 123 15.594 4.981 -1.316 1.00 0.00 O ATOM 1858 CB VAL A 123 17.390 4.778 1.638 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.972 4.972 2.152 1.00 0.00 C ATOM 1860 CG2 VAL A 123 18.013 3.655 2.475 1.00 0.00 C ATOM 0 H VAL A 123 19.448 4.699 0.424 1.00 0.00 H new ATOM 0 HA VAL A 123 16.974 3.458 0.014 1.00 0.00 H new ATOM 0 HB VAL A 123 17.967 5.697 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.999 5.202 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.500 5.795 1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.399 4.058 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 123 17.980 3.926 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.454 2.732 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 123 19.049 3.507 2.171 1.00 0.00 H new ATOM 1870 N GLU A 124 16.969 6.661 -0.803 1.00 0.00 N ATOM 1871 CA GLU A 124 16.186 7.655 -1.501 1.00 0.00 C ATOM 1872 C GLU A 124 16.077 7.346 -2.997 1.00 0.00 C ATOM 1873 O GLU A 124 15.032 7.592 -3.594 1.00 0.00 O ATOM 1874 CB GLU A 124 16.792 9.008 -1.186 1.00 0.00 C ATOM 1875 CG GLU A 124 15.940 10.140 -1.744 1.00 0.00 C ATOM 1876 CD GLU A 124 16.507 11.512 -1.336 1.00 0.00 C ATOM 1877 OE1 GLU A 124 16.461 11.858 -0.132 1.00 0.00 O ATOM 1878 OE2 GLU A 124 17.017 12.249 -2.213 1.00 0.00 O ATOM 0 H GLU A 124 17.838 7.015 -0.403 1.00 0.00 H new ATOM 0 HA GLU A 124 15.150 7.651 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.890 9.122 -0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.796 9.065 -1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.900 10.068 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.917 10.043 -1.380 1.00 0.00 H new ATOM 1885 N ASN A 125 17.110 6.750 -3.596 1.00 0.00 N ATOM 1886 CA ASN A 125 17.054 6.255 -4.967 1.00 0.00 C ATOM 1887 C ASN A 125 16.012 5.152 -5.115 1.00 0.00 C ATOM 1888 O ASN A 125 15.199 5.205 -6.033 1.00 0.00 O ATOM 1889 CB ASN A 125 18.410 5.721 -5.448 1.00 0.00 C ATOM 1890 CG ASN A 125 19.245 6.804 -6.119 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.272 6.918 -7.341 1.00 0.00 O ATOM 1892 ND2 ASN A 125 19.923 7.633 -5.343 1.00 0.00 N ATOM 0 H ASN A 125 18.010 6.598 -3.140 1.00 0.00 H new ATOM 0 HA ASN A 125 16.776 7.109 -5.585 1.00 0.00 H new ATOM 0 HB2 ASN A 125 18.960 5.312 -4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.249 4.901 -6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 125 20.479 8.381 -5.758 1.00 0.00 H new ATOM 0 HD22 ASN A 125 19.890 7.525 -4.329 1.00 0.00 H new ATOM 1899 N LEU A 126 16.012 4.162 -4.219 1.00 0.00 N ATOM 1900 CA LEU A 126 15.011 3.089 -4.210 1.00 0.00 C ATOM 1901 C LEU A 126 13.621 3.692 -4.132 1.00 0.00 C ATOM 1902 O LEU A 126 12.763 3.357 -4.941 1.00 0.00 O ATOM 1903 CB LEU A 126 15.328 2.082 -3.087 1.00 0.00 C ATOM 1904 CG LEU A 126 14.178 1.489 -2.250 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.435 0.016 -1.990 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.026 2.139 -0.871 1.00 0.00 C ATOM 0 H LEU A 126 16.707 4.081 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 126 15.045 2.519 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.866 1.249 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 126 16.016 2.569 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 126 13.275 1.668 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.618 -0.397 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.499 -0.515 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.372 -0.099 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.198 1.672 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.946 2.004 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.826 3.204 -0.991 1.00 0.00 H new ATOM 1918 N ILE A 127 13.439 4.637 -3.223 1.00 0.00 N ATOM 1919 CA ILE A 127 12.201 5.374 -3.046 1.00 0.00 C ATOM 1920 C ILE A 127 11.825 6.090 -4.342 1.00 0.00 C ATOM 1921 O ILE A 127 10.670 6.031 -4.746 1.00 0.00 O ATOM 1922 CB ILE A 127 12.413 6.313 -1.849 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.067 5.505 -0.582 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.643 7.639 -1.872 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.072 5.793 0.526 1.00 0.00 C ATOM 0 H ILE A 127 14.170 4.919 -2.570 1.00 0.00 H new ATOM 0 HA ILE A 127 11.354 4.723 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 127 13.453 6.638 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.062 5.759 -0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.066 4.440 -0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.877 8.211 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.931 8.212 -2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.572 7.437 -1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.812 5.214 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.072 5.516 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.052 6.856 0.768 1.00 0.00 H new ATOM 1937 N ALA A 128 12.784 6.713 -5.029 1.00 0.00 N ATOM 1938 CA ALA A 128 12.520 7.402 -6.280 1.00 0.00 C ATOM 1939 C ALA A 128 11.969 6.451 -7.351 1.00 0.00 C ATOM 1940 O ALA A 128 11.200 6.888 -8.209 1.00 0.00 O ATOM 1941 CB ALA A 128 13.775 8.135 -6.767 1.00 0.00 C ATOM 0 H ALA A 128 13.759 6.751 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 128 11.745 8.146 -6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.557 8.645 -7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.082 8.866 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.579 7.416 -6.923 1.00 0.00 H new ATOM 1947 N LYS A 129 12.331 5.161 -7.311 1.00 0.00 N ATOM 1948 CA LYS A 129 11.788 4.169 -8.226 1.00 0.00 C ATOM 1949 C LYS A 129 10.346 3.799 -7.873 1.00 0.00 C ATOM 1950 O LYS A 129 9.530 3.641 -8.784 1.00 0.00 O ATOM 1951 CB LYS A 129 12.643 2.892 -8.226 1.00 0.00 C ATOM 1952 CG LYS A 129 14.115 3.140 -8.576 1.00 0.00 C ATOM 1953 CD LYS A 129 14.926 1.870 -8.322 1.00 0.00 C ATOM 1954 CE LYS A 129 16.421 2.178 -8.487 1.00 0.00 C ATOM 1955 NZ LYS A 129 17.261 0.954 -8.592 1.00 0.00 N ATOM 0 H LYS A 129 13.005 4.786 -6.644 1.00 0.00 H new ATOM 0 HA LYS A 129 11.803 4.620 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.585 2.426 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.223 2.183 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.205 3.438 -9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.508 3.960 -7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.729 1.495 -7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.625 1.088 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.564 2.787 -9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.759 2.772 -7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.261 1.226 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.138 0.374 -7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.973 0.406 -9.427 1.00 0.00 H new ATOM 1969 N ILE A 130 10.031 3.660 -6.579 1.00 0.00 N ATOM 1970 CA ILE A 130 8.775 3.085 -6.120 1.00 0.00 C ATOM 1971 C ILE A 130 7.694 4.054 -5.647 1.00 0.00 C ATOM 1972 O ILE A 130 6.517 3.803 -5.922 1.00 0.00 O ATOM 1973 CB ILE A 130 9.058 2.020 -5.042 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.822 2.504 -3.794 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.656 0.777 -5.725 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.453 1.383 -2.956 1.00 0.00 C ATOM 0 H ILE A 130 10.650 3.948 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 130 8.337 2.647 -7.017 1.00 0.00 H new ATOM 0 HB ILE A 130 8.104 1.751 -4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.608 3.191 -4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.138 3.071 -3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.862 0.013 -4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.947 0.387 -6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.583 1.050 -6.229 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.969 1.816 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.673 0.707 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.166 0.829 -3.567 1.00 0.00 H new ATOM 1988 N SER A 131 8.040 5.083 -4.888 1.00 0.00 N ATOM 1989 CA SER A 131 7.084 5.963 -4.248 1.00 0.00 C ATOM 1990 C SER A 131 6.364 6.822 -5.295 1.00 0.00 C ATOM 1991 O SER A 131 7.030 7.373 -6.204 1.00 0.00 O ATOM 1992 CB SER A 131 7.799 6.817 -3.205 1.00 0.00 C ATOM 1993 OG SER A 131 8.421 5.958 -2.250 1.00 0.00 O ATOM 1994 OXT SER A 131 5.122 6.957 -5.203 1.00 0.00 O ATOM 0 H SER A 131 9.011 5.331 -4.699 1.00 0.00 H new ATOM 0 HA SER A 131 6.323 5.372 -3.739 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.545 7.450 -3.684 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.089 7.480 -2.710 1.00 0.00 H new ATOM 0 HG SER A 131 9.286 5.656 -2.597 1.00 0.00 H new TER 2000 SER A 131