USER MOD reduce.3.24.130724 H: found=0, std=0, add=1205, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1208 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 30 GLN : amide:sc= -14.5! C(o=-20!,f=-19!) USER MOD Set 1.2: A 136 GLN : amide:sc= -6.01! K(o=-20!,f=-14) USER MOD Set 2.1: A 135 LYS NZ :NH3+ -135:sc= -1.23 (180deg=-2.54!) USER MOD Set 2.2: A 148 SER OG : rot -18:sc= -0.313 USER MOD Set 3.1: A 115 THR OG1 : rot -34:sc= 0.856 USER MOD Set 3.2: A 120 ASN : amide:sc= -0.698 K(o=0.16,f=-3.2!) USER MOD Set 4.1: A 25 ASN : amide:sc= -0.791 K(o=-1.7,f=-8.5!) USER MOD Set 4.2: A 31 SER OG : rot -71:sc= -0.884! USER MOD Set 5.1: A 29 ASN : amide:sc= 0.288 X(o=-1.8,f=-1.5) USER MOD Set 5.2: A 153 GLN : amide:sc= -2.09 X(o=-1.8,f=-1.5) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= 0.516 (180deg=0.174) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -5.99! C(o=-6!,f=-8.9!) USER MOD Single : A 15 MET CE :methyl 155:sc= 0 (180deg=-0.908) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= -0.0195 (180deg=-0.168) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0807 K(o=-0.081,f=-1.4!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.098 X(o=-0.098,f=-0.0069) USER MOD Single : A 47 ASN : amide:sc= -0.964 K(o=-0.96,f=-0.052) USER MOD Single : A 53 LYS NZ :NH3+ 178:sc= 0.993 (180deg=0.989) USER MOD Single : A 56 MET CE :methyl -169:sc= -0.58 (180deg=-1.12) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.47 USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= -0.0576 (180deg=-0.323) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= -0.0156 (180deg=-0.166) USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= 1.28 (180deg=0.868) USER MOD Single : A 69 THR OG1 : rot -150:sc= -1.73! USER MOD Single : A 75 SER OG : rot -150:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0617) USER MOD Single : A 77 THR OG1 : rot -179:sc= -0.656 USER MOD Single : A 78 GLN : amide:sc= 0.698 K(o=0.7,f=-5.4!) USER MOD Single : A 80 TYR OH : rot 60:sc= -0.433 USER MOD Single : A 82 THR OG1 : rot 180:sc= -2.91! USER MOD Single : A 84 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.6!) USER MOD Single : A 88 GLN : amide:sc= -1.73! C(o=-1.7!,f=-7!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -148:sc= -0.566 (180deg=-2.05) USER MOD Single : A 101 THR OG1 : rot 9:sc= -1.04 USER MOD Single : A 103 THR OG1 : rot -160:sc=0.000568 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00583 USER MOD Single : A 107 THR OG1 : rot -38:sc= 0.177 USER MOD Single : A 108 ASN : amide:sc= -1.51 K(o=-1.5,f=-3.5!) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot -59:sc= 1.19 USER MOD Single : A 124 SER OG : rot -90:sc= -0.123 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 ASN : amide:sc= -0.0632 X(o=-0.063,f=0) USER MOD Single : A 134 THR OG1 : rot 27:sc= -2.81! USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 CYS SG : rot -147:sc= 0.621 USER MOD Single : A 150 THR OG1 : rot 153:sc= -0.879 USER MOD Single : A 157 ASN : amide:sc= -3.6! C(o=-3.6!,f=-6.6!) USER MOD Single : A 158 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 9 26.583 -0.077 -4.153 1.00 4.20 N ATOM 2 CA ASN A 9 26.258 -1.516 -4.288 1.00 4.32 C ATOM 3 C ASN A 9 24.747 -1.703 -4.337 1.00 4.11 C ATOM 4 O ASN A 9 24.000 -0.725 -4.375 1.00 4.02 O ATOM 5 CB ASN A 9 26.832 -2.305 -3.104 1.00 4.41 C ATOM 6 CG ASN A 9 28.331 -2.128 -2.946 1.00 4.99 C ATOM 7 OD1 ASN A 9 28.787 -1.190 -2.292 1.00 5.29 O ATOM 8 ND2 ASN A 9 29.109 -3.026 -3.529 1.00 5.50 N ATOM 0 HA ASN A 9 26.701 -1.888 -5.212 1.00 4.32 H new ATOM 0 HB2 ASN A 9 26.335 -1.987 -2.187 1.00 4.41 H new ATOM 0 HB3 ASN A 9 26.608 -3.364 -3.237 1.00 4.41 H new ATOM 0 HD21 ASN A 9 30.123 -2.954 -3.444 1.00 5.50 H new ATOM 0 HD22 ASN A 9 28.695 -3.790 -4.063 1.00 5.50 H new ATOM 17 N VAL A 10 24.301 -2.952 -4.319 1.00 4.35 N ATOM 18 CA VAL A 10 22.879 -3.264 -4.354 1.00 4.25 C ATOM 19 C VAL A 10 22.318 -3.336 -2.934 1.00 3.43 C ATOM 20 O VAL A 10 23.006 -3.763 -2.008 1.00 3.52 O ATOM 21 CB VAL A 10 22.631 -4.602 -5.090 1.00 5.19 C ATOM 22 CG1 VAL A 10 21.145 -4.898 -5.213 1.00 5.29 C ATOM 23 CG2 VAL A 10 23.287 -4.584 -6.464 1.00 6.05 C ATOM 0 H VAL A 10 24.909 -3.770 -4.280 1.00 4.35 H new ATOM 0 HA VAL A 10 22.368 -2.470 -4.897 1.00 4.25 H new ATOM 0 HB VAL A 10 23.082 -5.398 -4.498 1.00 5.19 H new ATOM 0 HG11 VAL A 10 21.005 -5.845 -5.735 1.00 5.29 H new ATOM 0 HG12 VAL A 10 20.703 -4.963 -4.219 1.00 5.29 H new ATOM 0 HG13 VAL A 10 20.660 -4.099 -5.774 1.00 5.29 H new ATOM 0 HG21 VAL A 10 23.103 -5.533 -6.968 1.00 6.05 H new ATOM 0 HG22 VAL A 10 22.868 -3.771 -7.057 1.00 6.05 H new ATOM 0 HG23 VAL A 10 24.361 -4.435 -6.352 1.00 6.05 H new ATOM 33 N LYS A 11 21.079 -2.898 -2.763 1.00 3.01 N ATOM 34 CA LYS A 11 20.437 -2.914 -1.451 1.00 2.38 C ATOM 35 C LYS A 11 19.499 -4.114 -1.338 1.00 2.30 C ATOM 36 O LYS A 11 18.588 -4.273 -2.130 1.00 2.75 O ATOM 37 CB LYS A 11 19.654 -1.619 -1.196 1.00 2.57 C ATOM 38 CG LYS A 11 20.517 -0.389 -0.933 1.00 3.33 C ATOM 39 CD LYS A 11 21.295 0.049 -2.163 1.00 4.00 C ATOM 40 CE LYS A 11 21.963 1.394 -1.947 1.00 4.63 C ATOM 41 NZ LYS A 11 22.828 1.774 -3.092 1.00 5.11 N ATOM 0 H LYS A 11 20.497 -2.527 -3.514 1.00 3.01 H new ATOM 0 HA LYS A 11 21.221 -2.993 -0.698 1.00 2.38 H new ATOM 0 HB2 LYS A 11 19.017 -1.421 -2.058 1.00 2.57 H new ATOM 0 HB3 LYS A 11 18.995 -1.772 -0.341 1.00 2.57 H new ATOM 0 HG2 LYS A 11 19.882 0.431 -0.597 1.00 3.33 H new ATOM 0 HG3 LYS A 11 21.214 -0.605 -0.123 1.00 3.33 H new ATOM 0 HD2 LYS A 11 22.050 -0.699 -2.403 1.00 4.00 H new ATOM 0 HD3 LYS A 11 20.622 0.109 -3.019 1.00 4.00 H new ATOM 0 HE2 LYS A 11 21.200 2.158 -1.799 1.00 4.63 H new ATOM 0 HE3 LYS A 11 22.561 1.360 -1.036 1.00 4.63 H new ATOM 0 HZ1 LYS A 11 23.595 2.391 -2.758 1.00 5.11 H new ATOM 0 HZ2 LYS A 11 23.234 0.917 -3.520 1.00 5.11 H new ATOM 0 HZ3 LYS A 11 22.261 2.280 -3.802 1.00 5.11 H new ATOM 55 N TYR A 12 19.773 -4.985 -0.383 1.00 2.26 N ATOM 56 CA TYR A 12 19.006 -6.219 -0.201 1.00 2.39 C ATOM 57 C TYR A 12 18.087 -6.125 1.018 1.00 1.68 C ATOM 58 O TYR A 12 18.585 -6.131 2.136 1.00 2.15 O ATOM 59 CB TYR A 12 19.971 -7.399 0.002 1.00 3.48 C ATOM 60 CG TYR A 12 21.360 -7.168 -0.569 1.00 4.09 C ATOM 61 CD1 TYR A 12 21.658 -7.482 -1.889 1.00 4.67 C ATOM 62 CD2 TYR A 12 22.372 -6.627 0.218 1.00 4.36 C ATOM 63 CE1 TYR A 12 22.921 -7.262 -2.409 1.00 5.39 C ATOM 64 CE2 TYR A 12 23.637 -6.406 -0.295 1.00 5.04 C ATOM 65 CZ TYR A 12 23.905 -6.724 -1.608 1.00 5.50 C ATOM 66 OH TYR A 12 25.161 -6.494 -2.124 1.00 6.30 O ATOM 0 H TYR A 12 20.530 -4.864 0.290 1.00 2.26 H new ATOM 0 HA TYR A 12 18.397 -6.371 -1.092 1.00 2.39 H new ATOM 0 HB2 TYR A 12 20.058 -7.604 1.069 1.00 3.48 H new ATOM 0 HB3 TYR A 12 19.543 -8.289 -0.460 1.00 3.48 H new ATOM 0 HD1 TYR A 12 20.891 -7.905 -2.520 1.00 4.67 H new ATOM 0 HD2 TYR A 12 22.166 -6.375 1.248 1.00 4.36 H new ATOM 0 HE1 TYR A 12 23.135 -7.511 -3.438 1.00 5.39 H new ATOM 0 HE2 TYR A 12 24.411 -5.986 0.331 1.00 5.04 H new ATOM 0 HH TYR A 12 25.735 -6.111 -1.428 1.00 6.30 H new ATOM 76 N ASN A 13 16.760 -6.025 0.856 1.00 1.23 N ATOM 77 CA ASN A 13 15.935 -6.054 2.031 1.00 1.00 C ATOM 78 C ASN A 13 15.079 -7.308 2.036 1.00 0.86 C ATOM 79 O ASN A 13 14.050 -7.353 1.384 1.00 1.29 O ATOM 80 CB ASN A 13 15.012 -4.818 2.024 1.00 1.76 C ATOM 81 CG ASN A 13 15.741 -3.485 1.923 1.00 2.67 C ATOM 82 OD1 ASN A 13 16.017 -2.836 2.920 1.00 3.27 O ATOM 83 ND2 ASN A 13 16.037 -3.052 0.706 1.00 3.42 N ATOM 0 H ASN A 13 16.272 -5.929 -0.035 1.00 1.23 H new ATOM 0 HA ASN A 13 16.570 -6.049 2.917 1.00 1.00 H new ATOM 0 HB2 ASN A 13 14.319 -4.903 1.187 1.00 1.76 H new ATOM 0 HB3 ASN A 13 14.414 -4.822 2.935 1.00 1.76 H new ATOM 0 HD21 ASN A 13 16.508 -2.155 0.584 1.00 3.42 H new ATOM 0 HD22 ASN A 13 15.794 -3.616 -0.109 1.00 3.42 H new ATOM 90 N PHE A 14 15.497 -8.313 2.774 1.00 0.97 N ATOM 91 CA PHE A 14 14.611 -9.341 3.321 1.00 1.06 C ATOM 92 C PHE A 14 14.042 -8.946 4.687 1.00 0.93 C ATOM 93 O PHE A 14 14.811 -8.637 5.599 1.00 1.27 O ATOM 94 CB PHE A 14 15.346 -10.686 3.420 1.00 1.64 C ATOM 95 CG PHE A 14 16.598 -10.664 4.265 1.00 2.26 C ATOM 96 CD1 PHE A 14 17.784 -10.151 3.761 1.00 3.13 C ATOM 97 CD2 PHE A 14 16.586 -11.163 5.560 1.00 2.47 C ATOM 98 CE1 PHE A 14 18.932 -10.136 4.530 1.00 4.16 C ATOM 99 CE2 PHE A 14 17.731 -11.149 6.333 1.00 3.36 C ATOM 100 CZ PHE A 14 18.906 -10.635 5.819 1.00 4.21 C ATOM 0 H PHE A 14 16.477 -8.449 3.020 1.00 0.97 H new ATOM 0 HA PHE A 14 13.771 -9.441 2.634 1.00 1.06 H new ATOM 0 HB2 PHE A 14 14.661 -11.429 3.830 1.00 1.64 H new ATOM 0 HB3 PHE A 14 15.609 -11.015 2.415 1.00 1.64 H new ATOM 0 HD1 PHE A 14 17.811 -9.758 2.755 1.00 3.13 H new ATOM 0 HD2 PHE A 14 15.671 -11.567 5.968 1.00 2.47 H new ATOM 0 HE1 PHE A 14 19.849 -9.735 4.124 1.00 4.16 H new ATOM 0 HE2 PHE A 14 17.708 -11.540 7.339 1.00 3.36 H new ATOM 0 HZ PHE A 14 19.802 -10.623 6.422 1.00 4.21 H new ATOM 110 N MET A 15 12.729 -8.902 4.847 1.00 0.73 N ATOM 111 CA MET A 15 12.162 -8.954 6.197 1.00 0.74 C ATOM 112 C MET A 15 11.372 -10.246 6.392 1.00 0.70 C ATOM 113 O MET A 15 11.822 -11.164 7.077 1.00 0.79 O ATOM 114 CB MET A 15 11.295 -7.741 6.510 1.00 0.84 C ATOM 115 CG MET A 15 11.422 -7.239 7.942 1.00 1.48 C ATOM 116 SD MET A 15 11.224 -8.539 9.172 1.00 2.32 S ATOM 117 CE MET A 15 11.426 -7.599 10.684 1.00 2.91 C ATOM 0 H MET A 15 12.049 -8.833 4.090 1.00 0.73 H new ATOM 0 HA MET A 15 12.996 -8.937 6.898 1.00 0.74 H new ATOM 0 HB2 MET A 15 11.560 -6.933 5.828 1.00 0.84 H new ATOM 0 HB3 MET A 15 10.252 -7.993 6.316 1.00 0.84 H new ATOM 0 HG2 MET A 15 12.398 -6.772 8.071 1.00 1.48 H new ATOM 0 HG3 MET A 15 10.674 -6.466 8.117 1.00 1.48 H new ATOM 0 HE1 MET A 15 10.915 -8.109 11.501 1.00 2.91 H new ATOM 0 HE2 MET A 15 12.487 -7.510 10.918 1.00 2.91 H new ATOM 0 HE3 MET A 15 10.999 -6.605 10.554 1.00 2.91 H new ATOM 127 N ARG A 16 10.200 -10.312 5.749 1.00 0.61 N ATOM 128 CA ARG A 16 9.297 -11.452 5.869 1.00 0.61 C ATOM 129 C ARG A 16 8.217 -11.398 4.793 1.00 0.56 C ATOM 130 O ARG A 16 7.822 -10.318 4.351 1.00 0.52 O ATOM 131 CB ARG A 16 8.607 -11.448 7.236 1.00 0.63 C ATOM 132 CG ARG A 16 7.470 -10.434 7.352 1.00 0.72 C ATOM 133 CD ARG A 16 7.783 -9.336 8.349 1.00 1.06 C ATOM 134 NE ARG A 16 8.426 -9.868 9.549 1.00 1.64 N ATOM 135 CZ ARG A 16 8.111 -9.513 10.792 1.00 2.09 C ATOM 136 NH1 ARG A 16 7.113 -8.669 11.019 1.00 2.43 N ATOM 137 NH2 ARG A 16 8.780 -10.036 11.808 1.00 2.73 N ATOM 0 H ARG A 16 9.856 -9.576 5.133 1.00 0.61 H new ATOM 0 HA ARG A 16 9.893 -12.357 5.753 1.00 0.61 H new ATOM 0 HB2 ARG A 16 8.214 -12.445 7.437 1.00 0.63 H new ATOM 0 HB3 ARG A 16 9.349 -11.237 8.006 1.00 0.63 H new ATOM 0 HG2 ARG A 16 7.279 -9.991 6.374 1.00 0.72 H new ATOM 0 HG3 ARG A 16 6.557 -10.947 7.654 1.00 0.72 H new ATOM 0 HD2 ARG A 16 8.434 -8.596 7.884 1.00 1.06 H new ATOM 0 HD3 ARG A 16 6.863 -8.822 8.626 1.00 1.06 H new ATOM 0 HE ARG A 16 9.167 -10.558 9.425 1.00 1.64 H new ATOM 0 HH11 ARG A 16 6.580 -8.287 10.237 1.00 2.43 H new ATOM 0 HH12 ARG A 16 6.878 -8.402 11.975 1.00 2.43 H new ATOM 0 HH21 ARG A 16 9.530 -10.705 11.634 1.00 2.73 H new ATOM 0 HH22 ARG A 16 8.545 -9.770 12.764 1.00 2.73 H new ATOM 151 N ILE A 17 7.748 -12.559 4.368 1.00 0.62 N ATOM 152 CA ILE A 17 6.562 -12.639 3.528 1.00 0.61 C ATOM 153 C ILE A 17 5.308 -12.565 4.404 1.00 0.57 C ATOM 154 O ILE A 17 5.064 -13.452 5.224 1.00 0.64 O ATOM 155 CB ILE A 17 6.533 -13.932 2.667 1.00 0.73 C ATOM 156 CG1 ILE A 17 7.587 -13.882 1.550 1.00 1.68 C ATOM 157 CG2 ILE A 17 5.153 -14.152 2.065 1.00 1.41 C ATOM 158 CD1 ILE A 17 9.015 -14.031 2.026 1.00 2.26 C ATOM 0 H ILE A 17 8.170 -13.461 4.590 1.00 0.62 H new ATOM 0 HA ILE A 17 6.588 -11.795 2.839 1.00 0.61 H new ATOM 0 HB ILE A 17 6.768 -14.768 3.326 1.00 0.73 H new ATOM 0 HG12 ILE A 17 7.373 -14.673 0.831 1.00 1.68 H new ATOM 0 HG13 ILE A 17 7.491 -12.934 1.020 1.00 1.68 H new ATOM 0 HG21 ILE A 17 5.158 -15.063 1.467 1.00 1.41 H new ATOM 0 HG22 ILE A 17 4.418 -14.247 2.864 1.00 1.41 H new ATOM 0 HG23 ILE A 17 4.893 -13.304 1.432 1.00 1.41 H new ATOM 0 HD11 ILE A 17 9.690 -13.984 1.172 1.00 2.26 H new ATOM 0 HD12 ILE A 17 9.253 -13.226 2.721 1.00 2.26 H new ATOM 0 HD13 ILE A 17 9.133 -14.991 2.529 1.00 2.26 H new ATOM 170 N ILE A 18 4.545 -11.493 4.256 1.00 0.49 N ATOM 171 CA ILE A 18 3.332 -11.294 5.048 1.00 0.48 C ATOM 172 C ILE A 18 2.112 -11.925 4.354 1.00 0.48 C ATOM 173 O ILE A 18 2.161 -13.077 3.923 1.00 0.52 O ATOM 174 CB ILE A 18 3.058 -9.795 5.349 1.00 0.44 C ATOM 175 CG1 ILE A 18 4.363 -9.062 5.669 1.00 0.44 C ATOM 176 CG2 ILE A 18 2.093 -9.651 6.529 1.00 0.50 C ATOM 177 CD1 ILE A 18 4.180 -7.581 5.937 1.00 0.94 C ATOM 0 H ILE A 18 4.742 -10.743 3.594 1.00 0.49 H new ATOM 0 HA ILE A 18 3.499 -11.794 6.002 1.00 0.48 H new ATOM 0 HB ILE A 18 2.607 -9.352 4.461 1.00 0.44 H new ATOM 0 HG12 ILE A 18 4.825 -9.525 6.540 1.00 0.44 H new ATOM 0 HG13 ILE A 18 5.054 -9.189 4.836 1.00 0.44 H new ATOM 0 HG21 ILE A 18 1.913 -8.594 6.725 1.00 0.50 H new ATOM 0 HG22 ILE A 18 1.149 -10.141 6.289 1.00 0.50 H new ATOM 0 HG23 ILE A 18 2.529 -10.115 7.414 1.00 0.50 H new ATOM 0 HD11 ILE A 18 5.147 -7.129 6.156 1.00 0.94 H new ATOM 0 HD12 ILE A 18 3.747 -7.103 5.058 1.00 0.94 H new ATOM 0 HD13 ILE A 18 3.514 -7.445 6.789 1.00 0.94 H new ATOM 189 N LYS A 19 1.023 -11.172 4.268 1.00 0.45 N ATOM 190 CA LYS A 19 -0.265 -11.715 3.841 1.00 0.46 C ATOM 191 C LYS A 19 -0.634 -11.206 2.450 1.00 0.42 C ATOM 192 O LYS A 19 -0.157 -10.161 2.024 1.00 0.49 O ATOM 193 CB LYS A 19 -1.353 -11.327 4.852 1.00 0.54 C ATOM 194 CG LYS A 19 -2.677 -12.054 4.662 1.00 1.13 C ATOM 195 CD LYS A 19 -2.522 -13.552 4.884 1.00 1.85 C ATOM 196 CE LYS A 19 -3.835 -14.299 4.687 1.00 2.57 C ATOM 197 NZ LYS A 19 -4.891 -13.838 5.624 1.00 2.68 N ATOM 0 H LYS A 19 1.004 -10.177 4.489 1.00 0.45 H new ATOM 0 HA LYS A 19 -0.186 -12.801 3.796 1.00 0.46 H new ATOM 0 HB2 LYS A 19 -0.984 -11.526 5.858 1.00 0.54 H new ATOM 0 HB3 LYS A 19 -1.529 -10.253 4.784 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -3.416 -11.656 5.357 1.00 1.13 H new ATOM 0 HG3 LYS A 19 -3.054 -11.870 3.656 1.00 1.13 H new ATOM 0 HD2 LYS A 19 -1.775 -13.945 4.194 1.00 1.85 H new ATOM 0 HD3 LYS A 19 -2.151 -13.732 5.893 1.00 1.85 H new ATOM 0 HE2 LYS A 19 -4.178 -14.163 3.661 1.00 2.57 H new ATOM 0 HE3 LYS A 19 -3.668 -15.367 4.828 1.00 2.57 H new ATOM 0 HZ1 LYS A 19 -5.699 -14.491 5.584 1.00 2.68 H new ATOM 0 HZ2 LYS A 19 -4.511 -13.816 6.592 1.00 2.68 H new ATOM 0 HZ3 LYS A 19 -5.203 -12.884 5.353 1.00 2.68 H new ATOM 211 N TYR A 20 -1.534 -11.922 1.786 1.00 0.37 N ATOM 212 CA TYR A 20 -1.914 -11.623 0.412 1.00 0.41 C ATOM 213 C TYR A 20 -3.358 -12.008 0.164 1.00 0.31 C ATOM 214 O TYR A 20 -3.945 -12.778 0.929 1.00 0.33 O ATOM 215 CB TYR A 20 -1.015 -12.374 -0.579 1.00 0.67 C ATOM 216 CG TYR A 20 -1.070 -13.884 -0.469 1.00 1.13 C ATOM 217 CD1 TYR A 20 -0.291 -14.559 0.461 1.00 1.45 C ATOM 218 CD2 TYR A 20 -1.913 -14.632 -1.283 1.00 1.34 C ATOM 219 CE1 TYR A 20 -0.343 -15.933 0.574 1.00 1.93 C ATOM 220 CE2 TYR A 20 -1.972 -16.009 -1.174 1.00 1.82 C ATOM 221 CZ TYR A 20 -1.159 -16.657 -0.290 1.00 2.10 C ATOM 222 OH TYR A 20 -1.241 -18.025 -0.129 1.00 2.59 O ATOM 0 H TYR A 20 -2.020 -12.725 2.185 1.00 0.37 H new ATOM 0 HA TYR A 20 -1.794 -10.550 0.261 1.00 0.41 H new ATOM 0 HB2 TYR A 20 -1.296 -12.087 -1.592 1.00 0.67 H new ATOM 0 HB3 TYR A 20 0.015 -12.050 -0.430 1.00 0.67 H new ATOM 0 HD1 TYR A 20 0.368 -13.998 1.108 1.00 1.45 H new ATOM 0 HD2 TYR A 20 -2.532 -14.130 -2.012 1.00 1.34 H new ATOM 0 HE1 TYR A 20 0.243 -16.441 1.325 1.00 1.93 H new ATOM 0 HE2 TYR A 20 -2.661 -16.571 -1.788 1.00 1.82 H new ATOM 0 HH TYR A 20 -1.848 -18.398 -0.802 1.00 2.59 H new ATOM 232 N GLU A 21 -3.921 -11.441 -0.899 1.00 0.33 N ATOM 233 CA GLU A 21 -5.286 -11.739 -1.319 1.00 0.32 C ATOM 234 C GLU A 21 -6.283 -11.414 -0.231 1.00 0.28 C ATOM 235 O GLU A 21 -7.265 -12.125 -0.011 1.00 0.30 O ATOM 236 CB GLU A 21 -5.414 -13.189 -1.744 1.00 0.35 C ATOM 237 CG GLU A 21 -4.868 -13.461 -3.134 1.00 0.98 C ATOM 238 CD GLU A 21 -5.302 -14.806 -3.662 1.00 1.16 C ATOM 239 OE1 GLU A 21 -6.524 -15.071 -3.669 1.00 1.53 O ATOM 240 OE2 GLU A 21 -4.432 -15.601 -4.065 1.00 1.73 O ATOM 0 H GLU A 21 -3.444 -10.763 -1.493 1.00 0.33 H new ATOM 0 HA GLU A 21 -5.512 -11.106 -2.177 1.00 0.32 H new ATOM 0 HB2 GLU A 21 -4.888 -13.818 -1.026 1.00 0.35 H new ATOM 0 HB3 GLU A 21 -6.465 -13.478 -1.712 1.00 0.35 H new ATOM 0 HG2 GLU A 21 -5.205 -12.679 -3.815 1.00 0.98 H new ATOM 0 HG3 GLU A 21 -3.779 -13.416 -3.110 1.00 0.98 H new ATOM 247 N PHE A 22 -6.008 -10.323 0.433 1.00 0.26 N ATOM 248 CA PHE A 22 -6.907 -9.767 1.398 1.00 0.26 C ATOM 249 C PHE A 22 -7.576 -8.583 0.750 1.00 0.24 C ATOM 250 O PHE A 22 -7.063 -8.030 -0.230 1.00 0.27 O ATOM 251 CB PHE A 22 -6.165 -9.357 2.678 1.00 0.32 C ATOM 252 CG PHE A 22 -5.033 -8.383 2.477 1.00 1.08 C ATOM 253 CD1 PHE A 22 -5.280 -7.028 2.314 1.00 1.98 C ATOM 254 CD2 PHE A 22 -3.718 -8.823 2.466 1.00 1.15 C ATOM 255 CE1 PHE A 22 -4.240 -6.135 2.140 1.00 2.89 C ATOM 256 CE2 PHE A 22 -2.675 -7.933 2.296 1.00 2.05 C ATOM 257 CZ PHE A 22 -2.936 -6.587 2.132 1.00 2.92 C ATOM 0 H PHE A 22 -5.144 -9.793 0.315 1.00 0.26 H new ATOM 0 HA PHE A 22 -7.649 -10.506 1.699 1.00 0.26 H new ATOM 0 HB2 PHE A 22 -6.883 -8.918 3.371 1.00 0.32 H new ATOM 0 HB3 PHE A 22 -5.771 -10.255 3.154 1.00 0.32 H new ATOM 0 HD1 PHE A 22 -6.298 -6.666 2.323 1.00 1.98 H new ATOM 0 HD2 PHE A 22 -3.507 -9.875 2.592 1.00 1.15 H new ATOM 0 HE1 PHE A 22 -4.448 -5.083 2.010 1.00 2.89 H new ATOM 0 HE2 PHE A 22 -1.656 -8.290 2.291 1.00 2.05 H new ATOM 0 HZ PHE A 22 -2.122 -5.890 1.998 1.00 2.92 H new ATOM 267 N ILE A 23 -8.694 -8.181 1.288 1.00 0.22 N ATOM 268 CA ILE A 23 -9.418 -7.077 0.726 1.00 0.21 C ATOM 269 C ILE A 23 -9.038 -5.865 1.506 1.00 0.19 C ATOM 270 O ILE A 23 -9.084 -5.863 2.732 1.00 0.22 O ATOM 271 CB ILE A 23 -10.947 -7.241 0.818 1.00 0.28 C ATOM 272 CG1 ILE A 23 -11.389 -8.589 0.245 1.00 0.36 C ATOM 273 CG2 ILE A 23 -11.640 -6.100 0.090 1.00 0.36 C ATOM 274 CD1 ILE A 23 -10.979 -8.791 -1.190 1.00 0.84 C ATOM 0 H ILE A 23 -9.122 -8.601 2.113 1.00 0.22 H new ATOM 0 HA ILE A 23 -9.165 -7.009 -0.332 1.00 0.21 H new ATOM 0 HB ILE A 23 -11.232 -7.213 1.870 1.00 0.28 H new ATOM 0 HG12 ILE A 23 -10.967 -9.390 0.852 1.00 0.36 H new ATOM 0 HG13 ILE A 23 -12.473 -8.670 0.320 1.00 0.36 H new ATOM 0 HG21 ILE A 23 -12.720 -6.226 0.161 1.00 0.36 H new ATOM 0 HG22 ILE A 23 -11.354 -5.151 0.545 1.00 0.36 H new ATOM 0 HG23 ILE A 23 -11.343 -6.104 -0.959 1.00 0.36 H new ATOM 0 HD11 ILE A 23 -11.324 -9.766 -1.533 1.00 0.84 H new ATOM 0 HD12 ILE A 23 -11.423 -8.011 -1.808 1.00 0.84 H new ATOM 0 HD13 ILE A 23 -9.893 -8.742 -1.268 1.00 0.84 H new ATOM 286 N LEU A 24 -8.637 -4.849 0.806 1.00 0.18 N ATOM 287 CA LEU A 24 -8.133 -3.682 1.477 1.00 0.19 C ATOM 288 C LEU A 24 -9.219 -2.650 1.554 1.00 0.20 C ATOM 289 O LEU A 24 -9.723 -2.185 0.539 1.00 0.23 O ATOM 290 CB LEU A 24 -6.908 -3.122 0.748 1.00 0.23 C ATOM 291 CG LEU A 24 -6.108 -2.081 1.537 1.00 0.53 C ATOM 292 CD1 LEU A 24 -4.676 -2.028 1.039 1.00 1.32 C ATOM 293 CD2 LEU A 24 -6.737 -0.695 1.455 1.00 1.41 C ATOM 0 H LEU A 24 -8.646 -4.799 -0.213 1.00 0.18 H new ATOM 0 HA LEU A 24 -7.822 -3.955 2.485 1.00 0.19 H new ATOM 0 HB2 LEU A 24 -6.246 -3.949 0.492 1.00 0.23 H new ATOM 0 HB3 LEU A 24 -7.235 -2.673 -0.190 1.00 0.23 H new ATOM 0 HG LEU A 24 -6.118 -2.389 2.582 1.00 0.53 H new ATOM 0 HD11 LEU A 24 -4.120 -1.284 1.609 1.00 1.32 H new ATOM 0 HD12 LEU A 24 -4.210 -3.005 1.166 1.00 1.32 H new ATOM 0 HD13 LEU A 24 -4.668 -1.757 -0.017 1.00 1.32 H new ATOM 0 HD21 LEU A 24 -6.137 0.011 2.029 1.00 1.41 H new ATOM 0 HD22 LEU A 24 -6.778 -0.375 0.414 1.00 1.41 H new ATOM 0 HD23 LEU A 24 -7.747 -0.729 1.864 1.00 1.41 H new ATOM 305 N ASN A 25 -9.547 -2.281 2.773 1.00 0.19 N ATOM 306 CA ASN A 25 -10.525 -1.259 3.035 1.00 0.19 C ATOM 307 C ASN A 25 -9.931 -0.348 4.056 1.00 0.18 C ATOM 308 O ASN A 25 -9.172 -0.791 4.887 1.00 0.22 O ATOM 309 CB ASN A 25 -11.844 -1.824 3.584 1.00 0.29 C ATOM 310 CG ASN A 25 -12.641 -2.618 2.571 1.00 0.92 C ATOM 311 OD1 ASN A 25 -12.092 -3.373 1.775 1.00 1.74 O ATOM 312 ND2 ASN A 25 -13.955 -2.445 2.585 1.00 1.72 N ATOM 0 H ASN A 25 -9.137 -2.688 3.614 1.00 0.19 H new ATOM 0 HA ASN A 25 -10.764 -0.751 2.101 1.00 0.19 H new ATOM 0 HB2 ASN A 25 -11.626 -2.462 4.440 1.00 0.29 H new ATOM 0 HB3 ASN A 25 -12.457 -1.000 3.948 1.00 0.29 H new ATOM 0 HD21 ASN A 25 -14.543 -2.948 1.920 1.00 1.72 H new ATOM 0 HD22 ASN A 25 -14.379 -1.809 3.261 1.00 1.72 H new ATOM 319 N ASP A 26 -10.243 0.905 3.993 1.00 0.16 N ATOM 320 CA ASP A 26 -9.790 1.820 5.027 1.00 0.17 C ATOM 321 C ASP A 26 -10.816 1.941 6.124 1.00 0.18 C ATOM 322 O ASP A 26 -11.779 1.184 6.193 1.00 0.20 O ATOM 323 CB ASP A 26 -9.524 3.202 4.423 1.00 0.19 C ATOM 324 CG ASP A 26 -10.725 3.855 3.832 1.00 0.40 C ATOM 325 OD1 ASP A 26 -11.659 3.115 3.487 1.00 0.66 O ATOM 326 OD2 ASP A 26 -10.730 5.089 3.695 1.00 1.04 O ATOM 0 H ASP A 26 -10.802 1.329 3.253 1.00 0.16 H new ATOM 0 HA ASP A 26 -8.868 1.423 5.452 1.00 0.17 H new ATOM 0 HB2 ASP A 26 -9.116 3.852 5.198 1.00 0.19 H new ATOM 0 HB3 ASP A 26 -8.760 3.107 3.651 1.00 0.19 H new ATOM 331 N ALA A 27 -10.516 2.815 7.040 1.00 0.21 N ATOM 332 CA ALA A 27 -11.396 3.110 8.168 1.00 0.25 C ATOM 333 C ALA A 27 -12.651 3.791 7.664 1.00 0.24 C ATOM 334 O ALA A 27 -13.685 3.811 8.335 1.00 0.28 O ATOM 335 CB ALA A 27 -10.705 3.985 9.202 1.00 0.32 C ATOM 0 H ALA A 27 -9.651 3.355 7.039 1.00 0.21 H new ATOM 0 HA ALA A 27 -11.657 2.170 8.654 1.00 0.25 H new ATOM 0 HB1 ALA A 27 -11.390 4.184 10.026 1.00 0.32 H new ATOM 0 HB2 ALA A 27 -9.821 3.472 9.580 1.00 0.32 H new ATOM 0 HB3 ALA A 27 -10.408 4.927 8.741 1.00 0.32 H new ATOM 341 N LEU A 28 -12.547 4.355 6.470 1.00 0.21 N ATOM 342 CA LEU A 28 -13.732 4.864 5.771 1.00 0.24 C ATOM 343 C LEU A 28 -14.487 3.690 5.180 1.00 0.23 C ATOM 344 O LEU A 28 -15.664 3.769 4.821 1.00 0.29 O ATOM 345 CB LEU A 28 -13.357 5.834 4.656 1.00 0.25 C ATOM 346 CG LEU A 28 -12.675 7.110 5.098 1.00 0.31 C ATOM 347 CD1 LEU A 28 -12.604 8.100 3.941 1.00 0.48 C ATOM 348 CD2 LEU A 28 -13.400 7.716 6.295 1.00 0.48 C ATOM 0 H LEU A 28 -11.669 4.474 5.965 1.00 0.21 H new ATOM 0 HA LEU A 28 -14.350 5.404 6.488 1.00 0.24 H new ATOM 0 HB2 LEU A 28 -12.701 5.317 3.955 1.00 0.25 H new ATOM 0 HB3 LEU A 28 -14.262 6.098 4.110 1.00 0.25 H new ATOM 0 HG LEU A 28 -11.656 6.875 5.406 1.00 0.31 H new ATOM 0 HD11 LEU A 28 -12.111 9.013 4.273 1.00 0.48 H new ATOM 0 HD12 LEU A 28 -12.038 7.660 3.120 1.00 0.48 H new ATOM 0 HD13 LEU A 28 -13.613 8.335 3.601 1.00 0.48 H new ATOM 0 HD21 LEU A 28 -12.896 8.633 6.600 1.00 0.48 H new ATOM 0 HD22 LEU A 28 -14.430 7.942 6.020 1.00 0.48 H new ATOM 0 HD23 LEU A 28 -13.393 7.006 7.122 1.00 0.48 H new ATOM 360 N ASN A 29 -13.739 2.612 5.103 1.00 0.20 N ATOM 361 CA ASN A 29 -14.148 1.326 4.583 1.00 0.23 C ATOM 362 C ASN A 29 -14.487 1.428 3.126 1.00 0.24 C ATOM 363 O ASN A 29 -15.653 1.420 2.748 1.00 0.28 O ATOM 364 CB ASN A 29 -15.351 0.748 5.320 1.00 0.29 C ATOM 365 CG ASN A 29 -15.316 0.970 6.823 1.00 0.60 C ATOM 366 OD1 ASN A 29 -15.916 1.917 7.339 1.00 1.32 O ATOM 367 ND2 ASN A 29 -14.614 0.104 7.539 1.00 1.30 N ATOM 0 H ASN A 29 -12.770 2.610 5.421 1.00 0.20 H new ATOM 0 HA ASN A 29 -13.301 0.657 4.732 1.00 0.23 H new ATOM 0 HB2 ASN A 29 -16.260 1.194 4.918 1.00 0.29 H new ATOM 0 HB3 ASN A 29 -15.407 -0.322 5.122 1.00 0.29 H new ATOM 0 HD21 ASN A 29 -14.556 0.208 8.552 1.00 1.30 H new ATOM 0 HD22 ASN A 29 -14.131 -0.667 7.077 1.00 1.30 H new ATOM 374 N GLN A 30 -13.476 1.517 2.298 1.00 0.23 N ATOM 375 CA GLN A 30 -13.670 1.340 0.892 1.00 0.24 C ATOM 376 C GLN A 30 -12.616 0.413 0.384 1.00 0.22 C ATOM 377 O GLN A 30 -11.424 0.650 0.580 1.00 0.28 O ATOM 378 CB GLN A 30 -13.613 2.666 0.143 1.00 0.36 C ATOM 379 CG GLN A 30 -12.623 3.637 0.724 1.00 0.98 C ATOM 380 CD GLN A 30 -13.280 4.607 1.663 1.00 1.41 C ATOM 381 OE1 GLN A 30 -12.761 5.678 1.914 1.00 2.21 O ATOM 382 NE2 GLN A 30 -14.462 4.256 2.147 1.00 1.84 N ATOM 0 H GLN A 30 -12.515 1.711 2.578 1.00 0.23 H new ATOM 0 HA GLN A 30 -14.661 0.920 0.722 1.00 0.24 H new ATOM 0 HB2 GLN A 30 -13.356 2.476 -0.899 1.00 0.36 H new ATOM 0 HB3 GLN A 30 -14.603 3.121 0.149 1.00 0.36 H new ATOM 0 HG2 GLN A 30 -11.844 3.089 1.254 1.00 0.98 H new ATOM 0 HG3 GLN A 30 -12.135 4.185 -0.082 1.00 0.98 H new ATOM 0 HE21 GLN A 30 -14.860 3.347 1.911 1.00 1.84 H new ATOM 0 HE22 GLN A 30 -14.974 4.894 2.756 1.00 1.84 H new ATOM 391 N SER A 31 -13.042 -0.655 -0.236 1.00 0.23 N ATOM 392 CA SER A 31 -12.103 -1.545 -0.825 1.00 0.26 C ATOM 393 C SER A 31 -11.435 -0.801 -1.971 1.00 0.21 C ATOM 394 O SER A 31 -12.093 -0.370 -2.916 1.00 0.21 O ATOM 395 CB SER A 31 -12.841 -2.787 -1.305 1.00 0.36 C ATOM 396 OG SER A 31 -13.682 -3.299 -0.286 1.00 1.23 O ATOM 0 H SER A 31 -14.021 -0.920 -0.341 1.00 0.23 H new ATOM 0 HA SER A 31 -11.340 -1.869 -0.117 1.00 0.26 H new ATOM 0 HB2 SER A 31 -13.436 -2.544 -2.186 1.00 0.36 H new ATOM 0 HB3 SER A 31 -12.122 -3.549 -1.606 1.00 0.36 H new ATOM 0 HG SER A 31 -13.133 -3.696 0.422 1.00 1.23 H new ATOM 402 N ILE A 32 -10.131 -0.649 -1.873 1.00 0.21 N ATOM 403 CA ILE A 32 -9.387 0.136 -2.835 1.00 0.20 C ATOM 404 C ILE A 32 -9.239 -0.607 -4.182 1.00 0.21 C ATOM 405 O ILE A 32 -8.468 -1.555 -4.299 1.00 0.24 O ATOM 406 CB ILE A 32 -7.996 0.523 -2.288 1.00 0.24 C ATOM 407 CG1 ILE A 32 -7.164 1.238 -3.354 1.00 1.11 C ATOM 408 CG2 ILE A 32 -7.267 -0.699 -1.766 1.00 1.23 C ATOM 409 CD1 ILE A 32 -5.778 1.625 -2.876 1.00 1.72 C ATOM 0 H ILE A 32 -9.562 -1.061 -1.133 1.00 0.21 H new ATOM 0 HA ILE A 32 -9.957 1.049 -3.009 1.00 0.20 H new ATOM 0 HB ILE A 32 -8.142 1.215 -1.458 1.00 0.24 H new ATOM 0 HG12 ILE A 32 -7.072 0.591 -4.227 1.00 1.11 H new ATOM 0 HG13 ILE A 32 -7.693 2.135 -3.676 1.00 1.11 H new ATOM 0 HG21 ILE A 32 -6.289 -0.404 -1.385 1.00 1.23 H new ATOM 0 HG22 ILE A 32 -7.847 -1.153 -0.963 1.00 1.23 H new ATOM 0 HG23 ILE A 32 -7.140 -1.419 -2.574 1.00 1.23 H new ATOM 0 HD11 ILE A 32 -5.243 2.128 -3.681 1.00 1.72 H new ATOM 0 HD12 ILE A 32 -5.862 2.297 -2.022 1.00 1.72 H new ATOM 0 HD13 ILE A 32 -5.232 0.729 -2.581 1.00 1.72 H new ATOM 421 N ILE A 33 -10.014 -0.209 -5.182 1.00 0.21 N ATOM 422 CA ILE A 33 -10.012 -0.894 -6.481 1.00 0.24 C ATOM 423 C ILE A 33 -9.157 -0.131 -7.499 1.00 0.24 C ATOM 424 O ILE A 33 -8.911 1.067 -7.349 1.00 0.24 O ATOM 425 CB ILE A 33 -11.436 -1.008 -7.072 1.00 0.28 C ATOM 426 CG1 ILE A 33 -12.485 -1.132 -5.964 1.00 0.80 C ATOM 427 CG2 ILE A 33 -11.518 -2.204 -8.013 1.00 0.77 C ATOM 428 CD1 ILE A 33 -13.910 -1.159 -6.474 1.00 0.91 C ATOM 0 H ILE A 33 -10.654 0.583 -5.125 1.00 0.21 H new ATOM 0 HA ILE A 33 -9.605 -1.889 -6.300 1.00 0.24 H new ATOM 0 HB ILE A 33 -11.645 -0.098 -7.634 1.00 0.28 H new ATOM 0 HG12 ILE A 33 -12.295 -2.043 -5.396 1.00 0.80 H new ATOM 0 HG13 ILE A 33 -12.372 -0.296 -5.274 1.00 0.80 H new ATOM 0 HG21 ILE A 33 -12.525 -2.275 -8.424 1.00 0.77 H new ATOM 0 HG22 ILE A 33 -10.803 -2.077 -8.826 1.00 0.77 H new ATOM 0 HG23 ILE A 33 -11.285 -3.116 -7.463 1.00 0.77 H new ATOM 0 HD11 ILE A 33 -14.596 -1.248 -5.632 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.120 -0.237 -7.017 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -14.042 -2.011 -7.141 1.00 0.91 H new ATOM 440 N ARG A 34 -8.695 -0.835 -8.523 1.00 0.31 N ATOM 441 CA ARG A 34 -8.066 -0.195 -9.671 1.00 0.35 C ATOM 442 C ARG A 34 -9.155 0.406 -10.549 1.00 0.36 C ATOM 443 O ARG A 34 -9.952 -0.317 -11.148 1.00 0.42 O ATOM 444 CB ARG A 34 -7.246 -1.224 -10.459 1.00 0.48 C ATOM 445 CG ARG A 34 -6.708 -0.720 -11.792 1.00 1.04 C ATOM 446 CD ARG A 34 -6.008 -1.837 -12.549 1.00 1.16 C ATOM 447 NE ARG A 34 -5.699 -1.478 -13.935 1.00 1.48 N ATOM 448 CZ ARG A 34 -6.332 -1.994 -14.991 1.00 1.79 C ATOM 449 NH1 ARG A 34 -7.337 -2.847 -14.812 1.00 2.09 N ATOM 450 NH2 ARG A 34 -5.952 -1.666 -16.223 1.00 2.47 N ATOM 0 H ARG A 34 -8.744 -1.852 -8.583 1.00 0.31 H new ATOM 0 HA ARG A 34 -7.391 0.593 -9.338 1.00 0.35 H new ATOM 0 HB2 ARG A 34 -6.407 -1.549 -9.843 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -7.867 -2.101 -10.641 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -7.527 -0.324 -12.393 1.00 1.04 H new ATOM 0 HG3 ARG A 34 -6.012 0.101 -11.621 1.00 1.04 H new ATOM 0 HD2 ARG A 34 -5.085 -2.097 -12.032 1.00 1.16 H new ATOM 0 HD3 ARG A 34 -6.639 -2.726 -12.541 1.00 1.16 H new ATOM 0 HE ARG A 34 -4.959 -0.796 -14.103 1.00 1.48 H new ATOM 0 HH11 ARG A 34 -7.624 -3.107 -13.868 1.00 2.09 H new ATOM 0 HH12 ARG A 34 -7.821 -3.241 -15.619 1.00 2.09 H new ATOM 0 HH21 ARG A 34 -5.176 -1.019 -16.362 1.00 2.47 H new ATOM 0 HH22 ARG A 34 -6.437 -2.061 -17.029 1.00 2.47 H new ATOM 464 N ALA A 35 -9.194 1.727 -10.604 1.00 0.37 N ATOM 465 CA ALA A 35 -10.248 2.428 -11.325 1.00 0.46 C ATOM 466 C ALA A 35 -9.787 2.740 -12.728 1.00 0.53 C ATOM 467 O ALA A 35 -10.538 2.636 -13.698 1.00 0.63 O ATOM 468 CB ALA A 35 -10.638 3.700 -10.592 1.00 0.54 C ATOM 0 H ALA A 35 -8.509 2.337 -10.159 1.00 0.37 H new ATOM 0 HA ALA A 35 -11.128 1.787 -11.380 1.00 0.46 H new ATOM 0 HB1 ALA A 35 -11.426 4.211 -11.144 1.00 0.54 H new ATOM 0 HB2 ALA A 35 -10.998 3.449 -9.594 1.00 0.54 H new ATOM 0 HB3 ALA A 35 -9.770 4.354 -10.511 1.00 0.54 H new ATOM 474 N ASN A 36 -8.523 3.102 -12.816 1.00 0.53 N ATOM 475 CA ASN A 36 -7.894 3.439 -14.075 1.00 0.66 C ATOM 476 C ASN A 36 -6.480 2.904 -14.060 1.00 0.65 C ATOM 477 O ASN A 36 -5.957 2.541 -13.009 1.00 0.55 O ATOM 478 CB ASN A 36 -7.881 4.959 -14.301 1.00 0.76 C ATOM 479 CG ASN A 36 -9.251 5.520 -14.643 1.00 1.43 C ATOM 480 OD1 ASN A 36 -9.648 5.545 -15.808 1.00 2.25 O ATOM 481 ND2 ASN A 36 -9.972 5.995 -13.638 1.00 1.93 N ATOM 0 H ASN A 36 -7.901 3.171 -12.011 1.00 0.53 H new ATOM 0 HA ASN A 36 -8.461 2.991 -14.891 1.00 0.66 H new ATOM 0 HB2 ASN A 36 -7.507 5.451 -13.403 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -7.186 5.195 -15.107 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -10.891 6.400 -13.816 1.00 1.93 H new ATOM 0 HD22 ASN A 36 -9.608 5.956 -12.686 1.00 1.93 H new ATOM 488 N ASP A 37 -5.869 2.841 -15.223 1.00 0.81 N ATOM 489 CA ASP A 37 -4.541 2.263 -15.350 1.00 0.88 C ATOM 490 C ASP A 37 -3.475 3.222 -14.821 1.00 0.79 C ATOM 491 O ASP A 37 -2.288 2.921 -14.836 1.00 0.88 O ATOM 492 CB ASP A 37 -4.264 1.913 -16.814 1.00 1.10 C ATOM 493 CG ASP A 37 -3.240 0.811 -16.970 1.00 1.76 C ATOM 494 OD1 ASP A 37 -3.602 -0.380 -16.846 1.00 2.10 O ATOM 495 OD2 ASP A 37 -2.055 1.141 -17.190 1.00 2.51 O ATOM 0 H ASP A 37 -6.268 3.182 -16.098 1.00 0.81 H new ATOM 0 HA ASP A 37 -4.501 1.353 -14.752 1.00 0.88 H new ATOM 0 HB2 ASP A 37 -5.195 1.608 -17.292 1.00 1.10 H new ATOM 0 HB3 ASP A 37 -3.915 2.804 -17.336 1.00 1.10 H new ATOM 500 N GLN A 38 -3.913 4.398 -14.397 1.00 0.68 N ATOM 501 CA GLN A 38 -3.025 5.419 -13.868 1.00 0.60 C ATOM 502 C GLN A 38 -3.451 5.812 -12.459 1.00 0.44 C ATOM 503 O GLN A 38 -2.640 6.269 -11.655 1.00 0.39 O ATOM 504 CB GLN A 38 -3.060 6.648 -14.775 1.00 0.71 C ATOM 505 CG GLN A 38 -2.621 6.364 -16.201 1.00 1.53 C ATOM 506 CD GLN A 38 -3.091 7.429 -17.170 1.00 2.01 C ATOM 507 OE1 GLN A 38 -4.149 8.033 -16.983 1.00 2.57 O ATOM 508 NE2 GLN A 38 -2.313 7.669 -18.209 1.00 2.58 N ATOM 0 H GLN A 38 -4.896 4.670 -14.411 1.00 0.68 H new ATOM 0 HA GLN A 38 -2.011 5.020 -13.831 1.00 0.60 H new ATOM 0 HB2 GLN A 38 -4.073 7.050 -14.789 1.00 0.71 H new ATOM 0 HB3 GLN A 38 -2.416 7.420 -14.352 1.00 0.71 H new ATOM 0 HG2 GLN A 38 -1.534 6.297 -16.238 1.00 1.53 H new ATOM 0 HG3 GLN A 38 -3.011 5.395 -16.513 1.00 1.53 H new ATOM 0 HE21 GLN A 38 -1.445 7.147 -18.327 1.00 2.58 H new ATOM 0 HE22 GLN A 38 -2.580 8.377 -18.893 1.00 2.58 H new ATOM 517 N TYR A 39 -4.736 5.622 -12.169 1.00 0.43 N ATOM 518 CA TYR A 39 -5.323 6.100 -10.928 1.00 0.41 C ATOM 519 C TYR A 39 -6.009 4.970 -10.184 1.00 0.34 C ATOM 520 O TYR A 39 -6.549 4.043 -10.790 1.00 0.36 O ATOM 521 CB TYR A 39 -6.336 7.218 -11.199 1.00 0.64 C ATOM 522 CG TYR A 39 -5.719 8.541 -11.595 1.00 0.92 C ATOM 523 CD1 TYR A 39 -5.246 9.428 -10.636 1.00 1.50 C ATOM 524 CD2 TYR A 39 -5.603 8.894 -12.932 1.00 1.31 C ATOM 525 CE1 TYR A 39 -4.672 10.630 -11.001 1.00 2.23 C ATOM 526 CE2 TYR A 39 -5.034 10.095 -13.305 1.00 1.97 C ATOM 527 CZ TYR A 39 -4.604 10.983 -12.306 1.00 2.39 C ATOM 528 OH TYR A 39 -3.997 12.153 -12.707 1.00 3.17 O ATOM 0 H TYR A 39 -5.391 5.137 -12.783 1.00 0.43 H new ATOM 0 HA TYR A 39 -4.514 6.493 -10.312 1.00 0.41 H new ATOM 0 HB2 TYR A 39 -7.011 6.895 -11.991 1.00 0.64 H new ATOM 0 HB3 TYR A 39 -6.941 7.367 -10.305 1.00 0.64 H new ATOM 0 HD1 TYR A 39 -5.328 9.174 -9.590 1.00 1.50 H new ATOM 0 HD2 TYR A 39 -5.964 8.218 -13.693 1.00 1.31 H new ATOM 0 HE1 TYR A 39 -4.276 11.290 -10.243 1.00 2.23 H new ATOM 0 HE2 TYR A 39 -4.921 10.348 -14.349 1.00 1.97 H new ATOM 0 HH TYR A 39 -4.048 12.230 -13.683 1.00 3.17 H new ATOM 538 N LEU A 40 -6.006 5.064 -8.873 1.00 0.31 N ATOM 539 CA LEU A 40 -6.687 4.094 -8.042 1.00 0.28 C ATOM 540 C LEU A 40 -7.727 4.779 -7.178 1.00 0.25 C ATOM 541 O LEU A 40 -7.471 5.837 -6.602 1.00 0.29 O ATOM 542 CB LEU A 40 -5.686 3.343 -7.165 1.00 0.30 C ATOM 543 CG LEU A 40 -5.735 1.828 -7.310 1.00 0.51 C ATOM 544 CD1 LEU A 40 -5.302 1.415 -8.707 1.00 1.21 C ATOM 545 CD2 LEU A 40 -4.860 1.155 -6.265 1.00 1.31 C ATOM 0 H LEU A 40 -5.536 5.807 -8.356 1.00 0.31 H new ATOM 0 HA LEU A 40 -7.188 3.376 -8.691 1.00 0.28 H new ATOM 0 HB2 LEU A 40 -4.680 3.687 -7.407 1.00 0.30 H new ATOM 0 HB3 LEU A 40 -5.869 3.602 -6.122 1.00 0.30 H new ATOM 0 HG LEU A 40 -6.764 1.505 -7.153 1.00 0.51 H new ATOM 0 HD11 LEU A 40 -5.343 0.329 -8.794 1.00 1.21 H new ATOM 0 HD12 LEU A 40 -5.970 1.863 -9.442 1.00 1.21 H new ATOM 0 HD13 LEU A 40 -4.282 1.756 -8.888 1.00 1.21 H new ATOM 0 HD21 LEU A 40 -4.912 0.073 -6.389 1.00 1.31 H new ATOM 0 HD22 LEU A 40 -3.828 1.485 -6.387 1.00 1.31 H new ATOM 0 HD23 LEU A 40 -5.212 1.423 -5.269 1.00 1.31 H new ATOM 557 N THR A 41 -8.896 4.167 -7.091 1.00 0.24 N ATOM 558 CA THR A 41 -9.991 4.727 -6.330 1.00 0.22 C ATOM 559 C THR A 41 -10.549 3.660 -5.405 1.00 0.19 C ATOM 560 O THR A 41 -10.784 2.521 -5.811 1.00 0.21 O ATOM 561 CB THR A 41 -11.103 5.233 -7.272 1.00 0.27 C ATOM 562 OG1 THR A 41 -10.523 6.014 -8.326 1.00 1.36 O ATOM 563 CG2 THR A 41 -12.119 6.078 -6.519 1.00 1.28 C ATOM 0 H THR A 41 -9.108 3.277 -7.542 1.00 0.24 H new ATOM 0 HA THR A 41 -9.624 5.571 -5.746 1.00 0.22 H new ATOM 0 HB THR A 41 -11.616 4.366 -7.688 1.00 0.27 H new ATOM 0 HG1 THR A 41 -11.231 6.333 -8.924 1.00 1.36 H new ATOM 0 HG21 THR A 41 -12.890 6.420 -7.209 1.00 1.28 H new ATOM 0 HG22 THR A 41 -12.577 5.480 -5.731 1.00 1.28 H new ATOM 0 HG23 THR A 41 -11.619 6.940 -6.077 1.00 1.28 H new ATOM 571 N ALA A 42 -10.746 4.033 -4.168 1.00 0.19 N ATOM 572 CA ALA A 42 -11.279 3.132 -3.174 1.00 0.20 C ATOM 573 C ALA A 42 -12.793 3.252 -3.113 1.00 0.20 C ATOM 574 O ALA A 42 -13.334 4.353 -3.206 1.00 0.27 O ATOM 575 CB ALA A 42 -10.638 3.409 -1.827 1.00 0.26 C ATOM 0 H ALA A 42 -10.542 4.969 -3.819 1.00 0.19 H new ATOM 0 HA ALA A 42 -11.042 2.105 -3.452 1.00 0.20 H new ATOM 0 HB1 ALA A 42 -11.046 2.725 -1.083 1.00 0.26 H new ATOM 0 HB2 ALA A 42 -9.560 3.265 -1.901 1.00 0.26 H new ATOM 0 HB3 ALA A 42 -10.847 4.436 -1.529 1.00 0.26 H new ATOM 581 N ALA A 43 -13.474 2.127 -2.969 1.00 0.20 N ATOM 582 CA ALA A 43 -14.938 2.134 -2.914 1.00 0.29 C ATOM 583 C ALA A 43 -15.449 1.007 -2.031 1.00 0.35 C ATOM 584 O ALA A 43 -14.987 -0.127 -2.146 1.00 0.40 O ATOM 585 CB ALA A 43 -15.513 2.007 -4.317 1.00 0.38 C ATOM 0 H ALA A 43 -13.048 1.204 -2.888 1.00 0.20 H new ATOM 0 HA ALA A 43 -15.263 3.080 -2.482 1.00 0.29 H new ATOM 0 HB1 ALA A 43 -16.602 2.013 -4.266 1.00 0.38 H new ATOM 0 HB2 ALA A 43 -15.174 2.845 -4.926 1.00 0.38 H new ATOM 0 HB3 ALA A 43 -15.176 1.072 -4.765 1.00 0.38 H new ATOM 591 N ALA A 44 -16.398 1.313 -1.141 1.00 0.63 N ATOM 592 CA ALA A 44 -16.885 0.320 -0.205 1.00 0.65 C ATOM 593 C ALA A 44 -17.566 -0.830 -0.922 1.00 0.46 C ATOM 594 O ALA A 44 -18.596 -0.665 -1.578 1.00 0.79 O ATOM 595 CB ALA A 44 -17.851 0.959 0.779 1.00 1.13 C ATOM 0 H ALA A 44 -16.834 2.231 -1.056 1.00 0.63 H new ATOM 0 HA ALA A 44 -16.027 -0.079 0.336 1.00 0.65 H new ATOM 0 HB1 ALA A 44 -18.211 0.204 1.478 1.00 1.13 H new ATOM 0 HB2 ALA A 44 -17.340 1.749 1.330 1.00 1.13 H new ATOM 0 HB3 ALA A 44 -18.696 1.383 0.236 1.00 1.13 H new ATOM 601 N LEU A 45 -16.960 -1.987 -0.778 1.00 0.47 N ATOM 602 CA LEU A 45 -17.521 -3.244 -1.186 1.00 0.66 C ATOM 603 C LEU A 45 -18.485 -3.775 -0.150 1.00 0.62 C ATOM 604 O LEU A 45 -18.458 -3.372 1.012 1.00 0.88 O ATOM 605 CB LEU A 45 -16.435 -4.262 -1.499 1.00 1.23 C ATOM 606 CG LEU A 45 -16.141 -4.425 -2.991 1.00 2.25 C ATOM 607 CD1 LEU A 45 -17.434 -4.678 -3.747 1.00 2.87 C ATOM 608 CD2 LEU A 45 -15.435 -3.198 -3.546 1.00 2.93 C ATOM 0 H LEU A 45 -16.034 -2.076 -0.360 1.00 0.47 H new ATOM 0 HA LEU A 45 -18.082 -3.070 -2.104 1.00 0.66 H new ATOM 0 HB2 LEU A 45 -15.518 -3.967 -0.989 1.00 1.23 H new ATOM 0 HB3 LEU A 45 -16.730 -5.229 -1.090 1.00 1.23 H new ATOM 0 HG LEU A 45 -15.478 -5.280 -3.120 1.00 2.25 H new ATOM 0 HD11 LEU A 45 -17.218 -4.793 -4.809 1.00 2.87 H new ATOM 0 HD12 LEU A 45 -17.903 -5.587 -3.371 1.00 2.87 H new ATOM 0 HD13 LEU A 45 -18.110 -3.835 -3.604 1.00 2.87 H new ATOM 0 HD21 LEU A 45 -15.238 -3.341 -4.608 1.00 2.93 H new ATOM 0 HD22 LEU A 45 -16.068 -2.321 -3.409 1.00 2.93 H new ATOM 0 HD23 LEU A 45 -14.492 -3.051 -3.019 1.00 2.93 H new ATOM 620 N HIS A 46 -19.324 -4.688 -0.583 1.00 0.61 N ATOM 621 CA HIS A 46 -20.285 -5.333 0.293 1.00 0.80 C ATOM 622 C HIS A 46 -20.195 -6.841 0.071 1.00 0.76 C ATOM 623 O HIS A 46 -20.729 -7.628 0.853 1.00 0.94 O ATOM 624 CB HIS A 46 -21.725 -4.820 0.068 1.00 1.06 C ATOM 625 CG HIS A 46 -21.945 -4.047 -1.204 1.00 1.87 C ATOM 626 ND1 HIS A 46 -22.628 -4.548 -2.289 1.00 2.69 N ATOM 627 CD2 HIS A 46 -21.571 -2.790 -1.551 1.00 2.79 C ATOM 628 CE1 HIS A 46 -22.660 -3.640 -3.246 1.00 3.63 C ATOM 629 NE2 HIS A 46 -22.026 -2.563 -2.825 1.00 3.71 N ATOM 0 H HIS A 46 -19.362 -5.007 -1.551 1.00 0.61 H new ATOM 0 HA HIS A 46 -20.041 -5.089 1.327 1.00 0.80 H new ATOM 0 HB2 HIS A 46 -22.402 -5.674 0.075 1.00 1.06 H new ATOM 0 HB3 HIS A 46 -22.002 -4.186 0.910 1.00 1.06 H new ATOM 0 HD2 HIS A 46 -21.017 -2.096 -0.937 1.00 2.79 H new ATOM 0 HE1 HIS A 46 -23.127 -3.759 -4.212 1.00 3.63 H new ATOM 0 HE2 HIS A 46 -21.896 -1.703 -3.358 1.00 3.71 H new ATOM 638 N ASN A 47 -19.514 -7.238 -1.008 1.00 0.66 N ATOM 639 CA ASN A 47 -18.989 -8.604 -1.126 1.00 0.71 C ATOM 640 C ASN A 47 -17.525 -8.637 -0.686 1.00 0.76 C ATOM 641 O ASN A 47 -16.925 -9.701 -0.551 1.00 0.88 O ATOM 642 CB ASN A 47 -19.018 -9.058 -2.579 1.00 0.74 C ATOM 643 CG ASN A 47 -18.825 -10.557 -2.745 1.00 1.42 C ATOM 644 OD1 ASN A 47 -18.195 -11.004 -3.704 1.00 2.21 O ATOM 645 ND2 ASN A 47 -19.388 -11.346 -1.840 1.00 1.94 N ATOM 0 H ASN A 47 -19.314 -6.638 -1.808 1.00 0.66 H new ATOM 0 HA ASN A 47 -19.606 -9.252 -0.504 1.00 0.71 H new ATOM 0 HB2 ASN A 47 -19.971 -8.770 -3.023 1.00 0.74 H new ATOM 0 HB3 ASN A 47 -18.237 -8.535 -3.131 1.00 0.74 H new ATOM 0 HD21 ASN A 47 -19.307 -12.359 -1.925 1.00 1.94 H new ATOM 0 HD22 ASN A 47 -19.902 -10.940 -1.059 1.00 1.94 H new ATOM 652 N LEU A 48 -16.988 -7.451 -0.418 1.00 0.77 N ATOM 653 CA LEU A 48 -15.578 -7.244 -0.109 1.00 0.89 C ATOM 654 C LEU A 48 -14.668 -7.572 -1.304 1.00 0.81 C ATOM 655 O LEU A 48 -14.018 -6.676 -1.844 1.00 0.78 O ATOM 656 CB LEU A 48 -15.184 -7.975 1.174 1.00 1.15 C ATOM 657 CG LEU A 48 -15.974 -7.502 2.404 1.00 1.37 C ATOM 658 CD1 LEU A 48 -15.393 -8.064 3.687 1.00 1.71 C ATOM 659 CD2 LEU A 48 -16.012 -5.982 2.461 1.00 1.66 C ATOM 0 H LEU A 48 -17.533 -6.589 -0.409 1.00 0.77 H new ATOM 0 HA LEU A 48 -15.429 -6.181 0.082 1.00 0.89 H new ATOM 0 HB2 LEU A 48 -15.341 -9.045 1.038 1.00 1.15 H new ATOM 0 HB3 LEU A 48 -14.119 -7.830 1.356 1.00 1.15 H new ATOM 0 HG LEU A 48 -16.993 -7.876 2.307 1.00 1.37 H new ATOM 0 HD11 LEU A 48 -15.976 -7.709 4.537 1.00 1.71 H new ATOM 0 HD12 LEU A 48 -15.425 -9.153 3.654 1.00 1.71 H new ATOM 0 HD13 LEU A 48 -14.359 -7.734 3.793 1.00 1.71 H new ATOM 0 HD21 LEU A 48 -16.576 -5.665 3.338 1.00 1.66 H new ATOM 0 HD22 LEU A 48 -14.995 -5.595 2.523 1.00 1.66 H new ATOM 0 HD23 LEU A 48 -16.493 -5.596 1.562 1.00 1.66 H new ATOM 671 N ASP A 49 -14.645 -8.820 -1.748 1.00 0.83 N ATOM 672 CA ASP A 49 -13.756 -9.219 -2.847 1.00 0.83 C ATOM 673 C ASP A 49 -14.319 -8.774 -4.200 1.00 0.75 C ATOM 674 O ASP A 49 -15.075 -9.487 -4.864 1.00 0.83 O ATOM 675 CB ASP A 49 -13.515 -10.735 -2.839 1.00 1.00 C ATOM 676 CG ASP A 49 -12.810 -11.245 -4.088 1.00 1.20 C ATOM 677 OD1 ASP A 49 -11.590 -11.032 -4.226 1.00 1.87 O ATOM 678 OD2 ASP A 49 -13.475 -11.883 -4.934 1.00 1.53 O ATOM 0 H ASP A 49 -15.223 -9.573 -1.374 1.00 0.83 H new ATOM 0 HA ASP A 49 -12.799 -8.720 -2.695 1.00 0.83 H new ATOM 0 HB2 ASP A 49 -12.920 -10.996 -1.964 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -14.472 -11.246 -2.737 1.00 1.00 H new ATOM 683 N GLU A 50 -13.996 -7.543 -4.542 1.00 0.66 N ATOM 684 CA GLU A 50 -14.276 -6.973 -5.854 1.00 0.72 C ATOM 685 C GLU A 50 -13.202 -5.942 -6.153 1.00 0.62 C ATOM 686 O GLU A 50 -12.835 -5.696 -7.300 1.00 0.68 O ATOM 687 CB GLU A 50 -15.666 -6.336 -5.906 1.00 0.94 C ATOM 688 CG GLU A 50 -16.006 -5.708 -7.248 1.00 1.25 C ATOM 689 CD GLU A 50 -15.965 -6.710 -8.382 1.00 1.93 C ATOM 690 OE1 GLU A 50 -16.909 -7.517 -8.498 1.00 2.66 O ATOM 691 OE2 GLU A 50 -14.995 -6.694 -9.164 1.00 2.35 O ATOM 0 H GLU A 50 -13.524 -6.897 -3.910 1.00 0.66 H new ATOM 0 HA GLU A 50 -14.266 -7.763 -6.605 1.00 0.72 H new ATOM 0 HB2 GLU A 50 -16.412 -7.096 -5.672 1.00 0.94 H new ATOM 0 HB3 GLU A 50 -15.734 -5.573 -5.131 1.00 0.94 H new ATOM 0 HG2 GLU A 50 -17.000 -5.263 -7.196 1.00 1.25 H new ATOM 0 HG3 GLU A 50 -15.305 -4.900 -7.456 1.00 1.25 H new ATOM 698 N ALA A 51 -12.683 -5.370 -5.083 1.00 0.52 N ATOM 699 CA ALA A 51 -11.563 -4.457 -5.168 1.00 0.43 C ATOM 700 C ALA A 51 -10.288 -5.250 -5.331 1.00 0.32 C ATOM 701 O ALA A 51 -10.256 -6.449 -5.050 1.00 0.33 O ATOM 702 CB ALA A 51 -11.463 -3.627 -3.917 1.00 0.50 C ATOM 0 H ALA A 51 -13.025 -5.525 -4.135 1.00 0.52 H new ATOM 0 HA ALA A 51 -11.713 -3.797 -6.022 1.00 0.43 H new ATOM 0 HB1 ALA A 51 -10.615 -2.946 -3.999 1.00 0.50 H new ATOM 0 HB2 ALA A 51 -12.380 -3.051 -3.788 1.00 0.50 H new ATOM 0 HB3 ALA A 51 -11.321 -4.281 -3.057 1.00 0.50 H new ATOM 708 N VAL A 52 -9.241 -4.590 -5.782 1.00 0.28 N ATOM 709 CA VAL A 52 -7.996 -5.275 -6.037 1.00 0.26 C ATOM 710 C VAL A 52 -7.347 -5.675 -4.722 1.00 0.22 C ATOM 711 O VAL A 52 -7.227 -4.882 -3.790 1.00 0.23 O ATOM 712 CB VAL A 52 -7.015 -4.451 -6.907 1.00 0.29 C ATOM 713 CG1 VAL A 52 -7.591 -4.240 -8.297 1.00 0.38 C ATOM 714 CG2 VAL A 52 -6.678 -3.117 -6.265 1.00 0.31 C ATOM 0 H VAL A 52 -9.229 -3.589 -5.977 1.00 0.28 H new ATOM 0 HA VAL A 52 -8.234 -6.169 -6.614 1.00 0.26 H new ATOM 0 HB VAL A 52 -6.089 -5.020 -6.989 1.00 0.29 H new ATOM 0 HG11 VAL A 52 -6.890 -3.659 -8.897 1.00 0.38 H new ATOM 0 HG12 VAL A 52 -7.760 -5.207 -8.771 1.00 0.38 H new ATOM 0 HG13 VAL A 52 -8.536 -3.702 -8.221 1.00 0.38 H new ATOM 0 HG21 VAL A 52 -5.987 -2.569 -6.906 1.00 0.31 H new ATOM 0 HG22 VAL A 52 -7.591 -2.536 -6.134 1.00 0.31 H new ATOM 0 HG23 VAL A 52 -6.214 -3.288 -5.294 1.00 0.31 H new ATOM 724 N LYS A 53 -6.960 -6.926 -4.672 1.00 0.22 N ATOM 725 CA LYS A 53 -6.468 -7.552 -3.450 1.00 0.22 C ATOM 726 C LYS A 53 -4.975 -7.482 -3.392 1.00 0.18 C ATOM 727 O LYS A 53 -4.272 -7.893 -4.314 1.00 0.24 O ATOM 728 CB LYS A 53 -6.912 -9.011 -3.376 1.00 0.35 C ATOM 729 CG LYS A 53 -8.414 -9.180 -3.307 1.00 0.78 C ATOM 730 CD LYS A 53 -8.818 -10.627 -3.092 1.00 1.12 C ATOM 731 CE LYS A 53 -8.538 -11.485 -4.313 1.00 1.37 C ATOM 732 NZ LYS A 53 -9.383 -12.708 -4.317 1.00 1.59 N ATOM 0 H LYS A 53 -6.974 -7.550 -5.479 1.00 0.22 H new ATOM 0 HA LYS A 53 -6.886 -7.010 -2.602 1.00 0.22 H new ATOM 0 HB2 LYS A 53 -6.534 -9.543 -4.249 1.00 0.35 H new ATOM 0 HB3 LYS A 53 -6.461 -9.476 -2.499 1.00 0.35 H new ATOM 0 HG2 LYS A 53 -8.810 -8.569 -2.495 1.00 0.78 H new ATOM 0 HG3 LYS A 53 -8.862 -8.813 -4.230 1.00 0.78 H new ATOM 0 HD2 LYS A 53 -8.279 -11.030 -2.235 1.00 1.12 H new ATOM 0 HD3 LYS A 53 -9.880 -10.675 -2.852 1.00 1.12 H new ATOM 0 HE2 LYS A 53 -8.726 -10.907 -5.218 1.00 1.37 H new ATOM 0 HE3 LYS A 53 -7.485 -11.767 -4.329 1.00 1.37 H new ATOM 0 HZ1 LYS A 53 -9.194 -13.258 -5.180 1.00 1.59 H new ATOM 0 HZ2 LYS A 53 -9.160 -13.287 -3.482 1.00 1.59 H new ATOM 0 HZ3 LYS A 53 -10.387 -12.437 -4.292 1.00 1.59 H new ATOM 746 N PHE A 54 -4.500 -6.984 -2.278 1.00 0.18 N ATOM 747 CA PHE A 54 -3.129 -6.662 -2.134 1.00 0.19 C ATOM 748 C PHE A 54 -2.402 -7.741 -1.382 1.00 0.20 C ATOM 749 O PHE A 54 -3.000 -8.649 -0.800 1.00 0.23 O ATOM 750 CB PHE A 54 -2.969 -5.313 -1.425 1.00 0.25 C ATOM 751 CG PHE A 54 -3.347 -4.136 -2.280 1.00 1.22 C ATOM 752 CD1 PHE A 54 -4.657 -3.685 -2.318 1.00 1.57 C ATOM 753 CD2 PHE A 54 -2.397 -3.476 -3.040 1.00 1.95 C ATOM 754 CE1 PHE A 54 -5.012 -2.602 -3.096 1.00 2.60 C ATOM 755 CE2 PHE A 54 -2.747 -2.392 -3.820 1.00 2.98 C ATOM 756 CZ PHE A 54 -4.035 -1.966 -3.874 1.00 3.31 C ATOM 0 H PHE A 54 -5.067 -6.795 -1.451 1.00 0.18 H new ATOM 0 HA PHE A 54 -2.690 -6.587 -3.129 1.00 0.19 H new ATOM 0 HB2 PHE A 54 -3.584 -5.310 -0.525 1.00 0.25 H new ATOM 0 HB3 PHE A 54 -1.933 -5.201 -1.104 1.00 0.25 H new ATOM 0 HD1 PHE A 54 -5.411 -4.188 -1.730 1.00 1.57 H new ATOM 0 HD2 PHE A 54 -1.371 -3.813 -3.023 1.00 1.95 H new ATOM 0 HE1 PHE A 54 -6.032 -2.248 -3.105 1.00 2.60 H new ATOM 0 HE2 PHE A 54 -1.989 -1.878 -4.393 1.00 2.98 H new ATOM 0 HZ PHE A 54 -4.306 -1.140 -4.514 1.00 3.31 H new ATOM 766 N ASP A 55 -1.109 -7.627 -1.445 1.00 0.21 N ATOM 767 CA ASP A 55 -0.209 -8.494 -0.733 1.00 0.22 C ATOM 768 C ASP A 55 0.914 -7.654 -0.194 1.00 0.23 C ATOM 769 O ASP A 55 1.483 -6.830 -0.908 1.00 0.27 O ATOM 770 CB ASP A 55 0.349 -9.566 -1.673 1.00 0.24 C ATOM 771 CG ASP A 55 1.637 -10.198 -1.165 1.00 1.33 C ATOM 772 OD1 ASP A 55 1.565 -11.001 -0.214 1.00 1.89 O ATOM 773 OD2 ASP A 55 2.712 -9.880 -1.695 1.00 1.93 O ATOM 0 H ASP A 55 -0.638 -6.915 -2.003 1.00 0.21 H new ATOM 0 HA ASP A 55 -0.736 -8.994 0.080 1.00 0.22 H new ATOM 0 HB2 ASP A 55 -0.401 -10.345 -1.811 1.00 0.24 H new ATOM 0 HB3 ASP A 55 0.531 -9.122 -2.652 1.00 0.24 H new ATOM 778 N MET A 56 1.161 -7.816 1.085 1.00 0.24 N ATOM 779 CA MET A 56 2.223 -7.117 1.753 1.00 0.25 C ATOM 780 C MET A 56 3.307 -8.088 2.134 1.00 0.25 C ATOM 781 O MET A 56 3.046 -9.187 2.611 1.00 0.30 O ATOM 782 CB MET A 56 1.711 -6.405 3.007 1.00 0.33 C ATOM 783 CG MET A 56 0.591 -5.415 2.743 1.00 0.97 C ATOM 784 SD MET A 56 -0.061 -4.692 4.264 1.00 1.19 S ATOM 785 CE MET A 56 -0.586 -6.164 5.142 1.00 1.85 C ATOM 0 H MET A 56 0.626 -8.440 1.690 1.00 0.24 H new ATOM 0 HA MET A 56 2.621 -6.367 1.069 1.00 0.25 H new ATOM 0 HB2 MET A 56 1.361 -7.152 3.719 1.00 0.33 H new ATOM 0 HB3 MET A 56 2.542 -5.880 3.479 1.00 0.33 H new ATOM 0 HG2 MET A 56 0.958 -4.620 2.094 1.00 0.97 H new ATOM 0 HG3 MET A 56 -0.215 -5.917 2.208 1.00 0.97 H new ATOM 0 HE1 MET A 56 -1.184 -5.878 6.007 1.00 1.85 H new ATOM 0 HE2 MET A 56 -1.184 -6.789 4.479 1.00 1.85 H new ATOM 0 HE3 MET A 56 0.290 -6.721 5.474 1.00 1.85 H new ATOM 795 N GLY A 57 4.510 -7.670 1.906 1.00 0.26 N ATOM 796 CA GLY A 57 5.656 -8.378 2.357 1.00 0.32 C ATOM 797 C GLY A 57 6.627 -7.384 2.908 1.00 0.31 C ATOM 798 O GLY A 57 6.942 -6.401 2.242 1.00 0.35 O ATOM 0 H GLY A 57 4.723 -6.814 1.393 1.00 0.26 H new ATOM 0 HA2 GLY A 57 5.379 -9.104 3.121 1.00 0.32 H new ATOM 0 HA3 GLY A 57 6.107 -8.936 1.536 1.00 0.32 H new ATOM 802 N ALA A 58 7.088 -7.580 4.107 1.00 0.37 N ATOM 803 CA ALA A 58 7.955 -6.597 4.693 1.00 0.38 C ATOM 804 C ALA A 58 9.364 -6.885 4.254 1.00 0.42 C ATOM 805 O ALA A 58 9.747 -8.044 4.101 1.00 0.61 O ATOM 806 CB ALA A 58 7.845 -6.612 6.206 1.00 0.51 C ATOM 0 H ALA A 58 6.886 -8.392 4.690 1.00 0.37 H new ATOM 0 HA ALA A 58 7.662 -5.602 4.359 1.00 0.38 H new ATOM 0 HB1 ALA A 58 8.511 -5.859 6.627 1.00 0.51 H new ATOM 0 HB2 ALA A 58 6.818 -6.392 6.498 1.00 0.51 H new ATOM 0 HB3 ALA A 58 8.127 -7.596 6.582 1.00 0.51 H new ATOM 812 N TYR A 59 10.122 -5.848 3.996 1.00 0.45 N ATOM 813 CA TYR A 59 11.511 -6.034 3.615 1.00 0.61 C ATOM 814 C TYR A 59 12.415 -5.142 4.449 1.00 0.72 C ATOM 815 O TYR A 59 12.003 -4.068 4.878 1.00 0.81 O ATOM 816 CB TYR A 59 11.662 -5.794 2.117 1.00 0.93 C ATOM 817 CG TYR A 59 10.918 -6.834 1.305 1.00 1.64 C ATOM 818 CD1 TYR A 59 11.235 -8.182 1.427 1.00 2.54 C ATOM 819 CD2 TYR A 59 9.883 -6.479 0.450 1.00 2.01 C ATOM 820 CE1 TYR A 59 10.552 -9.145 0.715 1.00 3.70 C ATOM 821 CE2 TYR A 59 9.189 -7.439 -0.263 1.00 3.08 C ATOM 822 CZ TYR A 59 9.530 -8.770 -0.127 1.00 3.92 C ATOM 823 OH TYR A 59 8.848 -9.729 -0.836 1.00 5.11 O ATOM 0 H TYR A 59 9.812 -4.877 4.040 1.00 0.45 H new ATOM 0 HA TYR A 59 11.819 -7.060 3.816 1.00 0.61 H new ATOM 0 HB2 TYR A 59 11.287 -4.801 1.868 1.00 0.93 H new ATOM 0 HB3 TYR A 59 12.719 -5.812 1.850 1.00 0.93 H new ATOM 0 HD1 TYR A 59 12.032 -8.481 2.092 1.00 2.54 H new ATOM 0 HD2 TYR A 59 9.616 -5.438 0.340 1.00 2.01 H new ATOM 0 HE1 TYR A 59 10.817 -10.187 0.817 1.00 3.70 H new ATOM 0 HE2 TYR A 59 8.385 -7.149 -0.923 1.00 3.08 H new ATOM 0 HH TYR A 59 8.843 -10.568 -0.330 1.00 5.11 H new ATOM 833 N LYS A 60 13.640 -5.596 4.710 1.00 0.92 N ATOM 834 CA LYS A 60 14.456 -4.933 5.721 1.00 1.13 C ATOM 835 C LYS A 60 15.942 -4.878 5.385 1.00 1.50 C ATOM 836 O LYS A 60 16.560 -5.889 5.045 1.00 1.77 O ATOM 837 CB LYS A 60 14.267 -5.612 7.075 1.00 1.30 C ATOM 838 CG LYS A 60 14.739 -4.765 8.247 1.00 1.66 C ATOM 839 CD LYS A 60 14.609 -5.514 9.562 1.00 2.14 C ATOM 840 CE LYS A 60 14.999 -4.636 10.738 1.00 2.79 C ATOM 841 NZ LYS A 60 16.355 -4.052 10.566 1.00 3.47 N ATOM 0 H LYS A 60 14.077 -6.395 4.251 1.00 0.92 H new ATOM 0 HA LYS A 60 14.107 -3.901 5.753 1.00 1.13 H new ATOM 0 HB2 LYS A 60 13.212 -5.850 7.210 1.00 1.30 H new ATOM 0 HB3 LYS A 60 14.809 -6.557 7.078 1.00 1.30 H new ATOM 0 HG2 LYS A 60 15.779 -4.476 8.093 1.00 1.66 H new ATOM 0 HG3 LYS A 60 14.155 -3.846 8.291 1.00 1.66 H new ATOM 0 HD2 LYS A 60 13.582 -5.858 9.687 1.00 2.14 H new ATOM 0 HD3 LYS A 60 15.242 -6.401 9.542 1.00 2.14 H new ATOM 0 HE2 LYS A 60 14.270 -3.834 10.850 1.00 2.79 H new ATOM 0 HE3 LYS A 60 14.970 -5.224 11.656 1.00 2.79 H new ATOM 0 HZ1 LYS A 60 16.668 -3.631 11.464 1.00 3.47 H new ATOM 0 HZ2 LYS A 60 17.021 -4.799 10.283 1.00 3.47 H new ATOM 0 HZ3 LYS A 60 16.326 -3.317 9.831 1.00 3.47 H new ATOM 855 N SER A 61 16.481 -3.678 5.448 1.00 1.67 N ATOM 856 CA SER A 61 17.902 -3.448 5.626 1.00 2.15 C ATOM 857 C SER A 61 17.997 -2.266 6.573 1.00 2.02 C ATOM 858 O SER A 61 17.042 -1.505 6.672 1.00 1.72 O ATOM 859 CB SER A 61 18.607 -3.148 4.295 1.00 2.67 C ATOM 860 OG SER A 61 20.020 -3.091 4.456 1.00 3.06 O ATOM 0 H SER A 61 15.935 -2.819 5.376 1.00 1.67 H new ATOM 0 HA SER A 61 18.399 -4.333 6.023 1.00 2.15 H new ATOM 0 HB2 SER A 61 18.353 -3.917 3.566 1.00 2.67 H new ATOM 0 HB3 SER A 61 18.246 -2.200 3.896 1.00 2.67 H new ATOM 0 HG SER A 61 20.440 -2.900 3.592 1.00 3.06 H new ATOM 866 N SER A 62 19.109 -2.084 7.261 1.00 2.37 N ATOM 867 CA SER A 62 19.174 -1.023 8.253 1.00 2.25 C ATOM 868 C SER A 62 19.582 0.304 7.615 1.00 2.37 C ATOM 869 O SER A 62 20.459 1.016 8.111 1.00 2.59 O ATOM 870 CB SER A 62 20.158 -1.414 9.354 1.00 2.65 C ATOM 871 OG SER A 62 19.783 -2.644 9.954 1.00 2.99 O ATOM 0 H SER A 62 19.959 -2.639 7.158 1.00 2.37 H new ATOM 0 HA SER A 62 18.183 -0.889 8.687 1.00 2.25 H new ATOM 0 HB2 SER A 62 21.162 -1.499 8.937 1.00 2.65 H new ATOM 0 HB3 SER A 62 20.193 -0.631 10.111 1.00 2.65 H new ATOM 0 HG SER A 62 20.428 -2.876 10.655 1.00 2.99 H new ATOM 877 N LYS A 63 18.934 0.617 6.501 1.00 2.37 N ATOM 878 CA LYS A 63 19.028 1.926 5.882 1.00 2.64 C ATOM 879 C LYS A 63 17.637 2.526 5.713 1.00 2.48 C ATOM 880 O LYS A 63 17.377 3.225 4.732 1.00 2.87 O ATOM 881 CB LYS A 63 19.755 1.846 4.536 1.00 3.20 C ATOM 882 CG LYS A 63 21.266 1.775 4.677 1.00 3.62 C ATOM 883 CD LYS A 63 21.960 1.644 3.330 1.00 4.18 C ATOM 884 CE LYS A 63 23.473 1.740 3.465 1.00 4.77 C ATOM 885 NZ LYS A 63 24.018 0.737 4.419 1.00 5.27 N ATOM 0 H LYS A 63 18.327 -0.034 6.002 1.00 2.37 H new ATOM 0 HA LYS A 63 19.611 2.576 6.535 1.00 2.64 H new ATOM 0 HB2 LYS A 63 19.405 0.968 3.993 1.00 3.20 H new ATOM 0 HB3 LYS A 63 19.493 2.717 3.936 1.00 3.20 H new ATOM 0 HG2 LYS A 63 21.625 2.671 5.184 1.00 3.62 H new ATOM 0 HG3 LYS A 63 21.532 0.925 5.306 1.00 3.62 H new ATOM 0 HD2 LYS A 63 21.695 0.689 2.875 1.00 4.18 H new ATOM 0 HD3 LYS A 63 21.604 2.426 2.660 1.00 4.18 H new ATOM 0 HE2 LYS A 63 23.933 1.596 2.487 1.00 4.77 H new ATOM 0 HE3 LYS A 63 23.743 2.741 3.800 1.00 4.77 H new ATOM 0 HZ1 LYS A 63 25.057 0.759 4.390 1.00 5.27 H new ATOM 0 HZ2 LYS A 63 23.693 0.961 5.381 1.00 5.27 H new ATOM 0 HZ3 LYS A 63 23.685 -0.212 4.153 1.00 5.27 H new ATOM 899 N ASP A 64 16.743 2.241 6.660 1.00 2.02 N ATOM 900 CA ASP A 64 15.355 2.688 6.553 1.00 2.02 C ATOM 901 C ASP A 64 15.268 4.188 6.866 1.00 2.36 C ATOM 902 O ASP A 64 15.991 4.996 6.282 1.00 2.81 O ATOM 903 CB ASP A 64 14.492 1.919 7.570 1.00 1.53 C ATOM 904 CG ASP A 64 15.095 0.607 8.047 1.00 1.63 C ATOM 905 OD1 ASP A 64 16.157 0.649 8.712 1.00 1.89 O ATOM 906 OD2 ASP A 64 14.485 -0.457 7.816 1.00 1.88 O ATOM 0 H ASP A 64 16.953 1.707 7.503 1.00 2.02 H new ATOM 0 HA ASP A 64 14.996 2.502 5.541 1.00 2.02 H new ATOM 0 HB2 ASP A 64 14.316 2.559 8.435 1.00 1.53 H new ATOM 0 HB3 ASP A 64 13.520 1.715 7.121 1.00 1.53 H new ATOM 911 N ASP A 65 14.399 4.567 7.795 1.00 2.27 N ATOM 912 CA ASP A 65 14.520 5.855 8.461 1.00 2.65 C ATOM 913 C ASP A 65 14.539 5.639 9.970 1.00 2.35 C ATOM 914 O ASP A 65 15.594 5.525 10.595 1.00 2.28 O ATOM 915 CB ASP A 65 13.347 6.758 8.040 1.00 3.22 C ATOM 916 CG ASP A 65 13.193 7.999 8.900 1.00 3.59 C ATOM 917 OD1 ASP A 65 14.015 8.930 8.752 1.00 4.06 O ATOM 918 OD2 ASP A 65 12.260 8.047 9.724 1.00 3.75 O ATOM 0 H ASP A 65 13.607 4.003 8.102 1.00 2.27 H new ATOM 0 HA ASP A 65 15.449 6.346 8.172 1.00 2.65 H new ATOM 0 HB2 ASP A 65 13.488 7.061 7.002 1.00 3.22 H new ATOM 0 HB3 ASP A 65 12.423 6.181 8.081 1.00 3.22 H new ATOM 923 N ALA A 66 13.345 5.544 10.528 1.00 2.40 N ATOM 924 CA ALA A 66 13.103 5.011 11.853 1.00 2.34 C ATOM 925 C ALA A 66 11.965 4.016 11.732 1.00 2.24 C ATOM 926 O ALA A 66 11.285 3.686 12.701 1.00 2.63 O ATOM 927 CB ALA A 66 12.760 6.121 12.833 1.00 2.98 C ATOM 0 H ALA A 66 12.493 5.845 10.056 1.00 2.40 H new ATOM 0 HA ALA A 66 13.997 4.522 12.240 1.00 2.34 H new ATOM 0 HB1 ALA A 66 12.583 5.693 13.820 1.00 2.98 H new ATOM 0 HB2 ALA A 66 13.588 6.828 12.887 1.00 2.98 H new ATOM 0 HB3 ALA A 66 11.862 6.639 12.496 1.00 2.98 H new ATOM 933 N LYS A 67 11.767 3.567 10.499 1.00 1.96 N ATOM 934 CA LYS A 67 10.505 2.986 10.065 1.00 1.89 C ATOM 935 C LYS A 67 10.768 1.862 9.074 1.00 1.44 C ATOM 936 O LYS A 67 11.670 1.962 8.254 1.00 1.95 O ATOM 937 CB LYS A 67 9.656 4.064 9.381 1.00 2.82 C ATOM 938 CG LYS A 67 9.413 5.307 10.225 1.00 3.45 C ATOM 939 CD LYS A 67 8.838 6.434 9.382 1.00 4.32 C ATOM 940 CE LYS A 67 8.586 7.695 10.199 1.00 5.01 C ATOM 941 NZ LYS A 67 9.819 8.210 10.855 1.00 5.31 N ATOM 0 H LYS A 67 12.480 3.596 9.770 1.00 1.96 H new ATOM 0 HA LYS A 67 9.977 2.591 10.933 1.00 1.89 H new ATOM 0 HB2 LYS A 67 10.146 4.360 8.454 1.00 2.82 H new ATOM 0 HB3 LYS A 67 8.693 3.632 9.109 1.00 2.82 H new ATOM 0 HG2 LYS A 67 8.727 5.070 11.038 1.00 3.45 H new ATOM 0 HG3 LYS A 67 10.349 5.630 10.681 1.00 3.45 H new ATOM 0 HD2 LYS A 67 9.525 6.663 8.567 1.00 4.32 H new ATOM 0 HD3 LYS A 67 7.903 6.105 8.928 1.00 4.32 H new ATOM 0 HE2 LYS A 67 8.175 8.468 9.549 1.00 5.01 H new ATOM 0 HE3 LYS A 67 7.835 7.486 10.960 1.00 5.01 H new ATOM 0 HZ1 LYS A 67 9.664 9.191 11.165 1.00 5.31 H new ATOM 0 HZ2 LYS A 67 10.046 7.618 11.680 1.00 5.31 H new ATOM 0 HZ3 LYS A 67 10.609 8.181 10.180 1.00 5.31 H new ATOM 955 N ILE A 68 9.957 0.821 9.144 1.00 0.88 N ATOM 956 CA ILE A 68 10.182 -0.399 8.389 1.00 0.76 C ATOM 957 C ILE A 68 9.235 -0.458 7.221 1.00 0.43 C ATOM 958 O ILE A 68 8.110 0.041 7.299 1.00 0.37 O ATOM 959 CB ILE A 68 9.996 -1.664 9.255 1.00 0.97 C ATOM 960 CG1 ILE A 68 8.626 -1.652 9.947 1.00 1.07 C ATOM 961 CG2 ILE A 68 11.117 -1.780 10.276 1.00 1.51 C ATOM 962 CD1 ILE A 68 8.324 -2.917 10.727 1.00 1.66 C ATOM 0 H ILE A 68 9.121 0.798 9.728 1.00 0.88 H new ATOM 0 HA ILE A 68 11.215 -0.378 8.041 1.00 0.76 H new ATOM 0 HB ILE A 68 10.037 -2.536 8.603 1.00 0.97 H new ATOM 0 HG12 ILE A 68 8.578 -0.799 10.624 1.00 1.07 H new ATOM 0 HG13 ILE A 68 7.851 -1.506 9.195 1.00 1.07 H new ATOM 0 HG21 ILE A 68 10.970 -2.677 10.878 1.00 1.51 H new ATOM 0 HG22 ILE A 68 12.075 -1.843 9.759 1.00 1.51 H new ATOM 0 HG23 ILE A 68 11.111 -0.904 10.924 1.00 1.51 H new ATOM 0 HD11 ILE A 68 7.340 -2.834 11.188 1.00 1.66 H new ATOM 0 HD12 ILE A 68 8.338 -3.773 10.052 1.00 1.66 H new ATOM 0 HD13 ILE A 68 9.077 -3.055 11.503 1.00 1.66 H new ATOM 974 N THR A 69 9.681 -1.076 6.148 1.00 0.47 N ATOM 975 CA THR A 69 8.949 -1.021 4.915 1.00 0.38 C ATOM 976 C THR A 69 8.314 -2.361 4.573 1.00 0.34 C ATOM 977 O THR A 69 8.908 -3.427 4.749 1.00 0.46 O ATOM 978 CB THR A 69 9.840 -0.554 3.747 1.00 0.55 C ATOM 979 OG1 THR A 69 9.102 -0.622 2.525 1.00 1.50 O ATOM 980 CG2 THR A 69 11.103 -1.393 3.628 1.00 1.23 C ATOM 0 H THR A 69 10.544 -1.618 6.111 1.00 0.47 H new ATOM 0 HA THR A 69 8.153 -0.290 5.061 1.00 0.38 H new ATOM 0 HB THR A 69 10.141 0.474 3.947 1.00 0.55 H new ATOM 0 HG1 THR A 69 9.716 -0.799 1.782 1.00 1.50 H new ATOM 0 HG21 THR A 69 11.703 -1.031 2.793 1.00 1.23 H new ATOM 0 HG22 THR A 69 11.680 -1.315 4.550 1.00 1.23 H new ATOM 0 HG23 THR A 69 10.833 -2.435 3.456 1.00 1.23 H new ATOM 988 N VAL A 70 7.088 -2.275 4.108 1.00 0.27 N ATOM 989 CA VAL A 70 6.344 -3.411 3.615 1.00 0.28 C ATOM 990 C VAL A 70 5.925 -3.074 2.193 1.00 0.26 C ATOM 991 O VAL A 70 5.994 -1.906 1.806 1.00 0.29 O ATOM 992 CB VAL A 70 5.091 -3.713 4.478 1.00 0.33 C ATOM 993 CG1 VAL A 70 5.479 -3.963 5.928 1.00 0.98 C ATOM 994 CG2 VAL A 70 4.069 -2.590 4.384 1.00 1.06 C ATOM 0 H VAL A 70 6.571 -1.397 4.061 1.00 0.27 H new ATOM 0 HA VAL A 70 6.968 -4.304 3.656 1.00 0.28 H new ATOM 0 HB VAL A 70 4.630 -4.619 4.084 1.00 0.33 H new ATOM 0 HG11 VAL A 70 4.584 -4.172 6.513 1.00 0.98 H new ATOM 0 HG12 VAL A 70 6.155 -4.816 5.982 1.00 0.98 H new ATOM 0 HG13 VAL A 70 5.976 -3.080 6.329 1.00 0.98 H new ATOM 0 HG21 VAL A 70 3.203 -2.833 5.000 1.00 1.06 H new ATOM 0 HG22 VAL A 70 4.516 -1.661 4.737 1.00 1.06 H new ATOM 0 HG23 VAL A 70 3.754 -2.470 3.347 1.00 1.06 H new ATOM 1004 N ILE A 71 5.535 -4.067 1.414 1.00 0.25 N ATOM 1005 CA ILE A 71 5.133 -3.829 0.034 1.00 0.28 C ATOM 1006 C ILE A 71 3.626 -3.916 -0.143 1.00 0.28 C ATOM 1007 O ILE A 71 2.996 -4.811 0.393 1.00 0.33 O ATOM 1008 CB ILE A 71 5.810 -4.816 -0.940 1.00 0.39 C ATOM 1009 CG1 ILE A 71 5.663 -6.265 -0.493 1.00 1.29 C ATOM 1010 CG2 ILE A 71 7.282 -4.472 -1.121 1.00 1.34 C ATOM 1011 CD1 ILE A 71 4.550 -7.007 -1.198 1.00 2.12 C ATOM 0 H ILE A 71 5.487 -5.042 1.709 1.00 0.25 H new ATOM 0 HA ILE A 71 5.459 -2.816 -0.201 1.00 0.28 H new ATOM 0 HB ILE A 71 5.298 -4.714 -1.897 1.00 0.39 H new ATOM 0 HG12 ILE A 71 6.604 -6.787 -0.667 1.00 1.29 H new ATOM 0 HG13 ILE A 71 5.480 -6.288 0.581 1.00 1.29 H new ATOM 0 HG21 ILE A 71 7.739 -5.181 -1.812 1.00 1.34 H new ATOM 0 HG22 ILE A 71 7.373 -3.463 -1.523 1.00 1.34 H new ATOM 0 HG23 ILE A 71 7.789 -4.525 -0.158 1.00 1.34 H new ATOM 0 HD11 ILE A 71 4.505 -8.032 -0.829 1.00 2.12 H new ATOM 0 HD12 ILE A 71 3.600 -6.509 -1.003 1.00 2.12 H new ATOM 0 HD13 ILE A 71 4.741 -7.016 -2.271 1.00 2.12 H new ATOM 1023 N LEU A 72 3.036 -2.954 -0.839 1.00 0.28 N ATOM 1024 CA LEU A 72 1.623 -3.070 -1.206 1.00 0.29 C ATOM 1025 C LEU A 72 1.479 -3.352 -2.709 1.00 0.27 C ATOM 1026 O LEU A 72 1.805 -2.506 -3.540 1.00 0.30 O ATOM 1027 CB LEU A 72 0.872 -1.791 -0.825 1.00 0.33 C ATOM 1028 CG LEU A 72 -0.639 -1.947 -0.650 1.00 0.37 C ATOM 1029 CD1 LEU A 72 -0.946 -2.886 0.507 1.00 0.79 C ATOM 1030 CD2 LEU A 72 -1.287 -0.590 -0.425 1.00 0.88 C ATOM 0 H LEU A 72 3.497 -2.101 -1.157 1.00 0.28 H new ATOM 0 HA LEU A 72 1.188 -3.906 -0.658 1.00 0.29 H new ATOM 0 HB2 LEU A 72 1.291 -1.407 0.105 1.00 0.33 H new ATOM 0 HB3 LEU A 72 1.056 -1.039 -1.592 1.00 0.33 H new ATOM 0 HG LEU A 72 -1.052 -2.380 -1.561 1.00 0.37 H new ATOM 0 HD11 LEU A 72 -2.026 -2.986 0.618 1.00 0.79 H new ATOM 0 HD12 LEU A 72 -0.510 -3.865 0.307 1.00 0.79 H new ATOM 0 HD13 LEU A 72 -0.523 -2.481 1.426 1.00 0.79 H new ATOM 0 HD21 LEU A 72 -2.363 -0.716 -0.302 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -0.871 -0.132 0.472 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -1.093 0.053 -1.284 1.00 0.88 H new ATOM 1042 N ARG A 73 0.978 -4.532 -3.057 1.00 0.24 N ATOM 1043 CA ARG A 73 0.803 -4.914 -4.465 1.00 0.24 C ATOM 1044 C ARG A 73 -0.526 -5.614 -4.682 1.00 0.21 C ATOM 1045 O ARG A 73 -1.031 -6.234 -3.769 1.00 0.24 O ATOM 1046 CB ARG A 73 1.901 -5.872 -4.887 1.00 0.28 C ATOM 1047 CG ARG A 73 1.822 -7.214 -4.179 1.00 0.43 C ATOM 1048 CD ARG A 73 2.453 -8.306 -5.024 1.00 0.58 C ATOM 1049 NE ARG A 73 2.685 -9.522 -4.260 1.00 0.91 N ATOM 1050 CZ ARG A 73 3.085 -10.676 -4.780 1.00 1.04 C ATOM 1051 NH1 ARG A 73 3.283 -10.790 -6.089 1.00 1.27 N ATOM 1052 NH2 ARG A 73 3.294 -11.713 -3.981 1.00 1.67 N ATOM 0 H ARG A 73 0.684 -5.244 -2.389 1.00 0.24 H new ATOM 0 HA ARG A 73 0.839 -3.998 -5.055 1.00 0.24 H new ATOM 0 HB2 ARG A 73 1.843 -6.031 -5.964 1.00 0.28 H new ATOM 0 HB3 ARG A 73 2.870 -5.417 -4.684 1.00 0.28 H new ATOM 0 HG2 ARG A 73 2.330 -7.153 -3.217 1.00 0.43 H new ATOM 0 HG3 ARG A 73 0.780 -7.462 -3.975 1.00 0.43 H new ATOM 0 HD2 ARG A 73 1.805 -8.529 -5.871 1.00 0.58 H new ATOM 0 HD3 ARG A 73 3.399 -7.948 -5.431 1.00 0.58 H new ATOM 0 HE ARG A 73 2.529 -9.485 -3.253 1.00 0.91 H new ATOM 0 HH11 ARG A 73 3.128 -9.988 -6.700 1.00 1.27 H new ATOM 0 HH12 ARG A 73 3.590 -11.679 -6.483 1.00 1.27 H new ATOM 0 HH21 ARG A 73 3.147 -11.620 -2.976 1.00 1.67 H new ATOM 0 HH22 ARG A 73 3.601 -12.604 -4.371 1.00 1.67 H new ATOM 1066 N ILE A 74 -1.069 -5.556 -5.888 1.00 0.22 N ATOM 1067 CA ILE A 74 -2.219 -6.362 -6.229 1.00 0.24 C ATOM 1068 C ILE A 74 -1.741 -7.761 -6.613 1.00 0.27 C ATOM 1069 O ILE A 74 -0.863 -7.917 -7.442 1.00 0.30 O ATOM 1070 CB ILE A 74 -3.037 -5.706 -7.375 1.00 0.31 C ATOM 1071 CG1 ILE A 74 -3.935 -6.715 -8.097 1.00 1.14 C ATOM 1072 CG2 ILE A 74 -2.125 -5.004 -8.370 1.00 1.30 C ATOM 1073 CD1 ILE A 74 -5.079 -7.234 -7.258 1.00 1.81 C ATOM 0 H ILE A 74 -0.729 -4.959 -6.642 1.00 0.22 H new ATOM 0 HA ILE A 74 -2.884 -6.435 -5.368 1.00 0.24 H new ATOM 0 HB ILE A 74 -3.684 -4.963 -6.910 1.00 0.31 H new ATOM 0 HG12 ILE A 74 -4.340 -6.248 -8.995 1.00 1.14 H new ATOM 0 HG13 ILE A 74 -3.326 -7.558 -8.424 1.00 1.14 H new ATOM 0 HG21 ILE A 74 -2.726 -4.555 -9.160 1.00 1.30 H new ATOM 0 HG22 ILE A 74 -1.558 -4.226 -7.858 1.00 1.30 H new ATOM 0 HG23 ILE A 74 -1.436 -5.728 -8.805 1.00 1.30 H new ATOM 0 HD11 ILE A 74 -5.666 -7.943 -7.842 1.00 1.81 H new ATOM 0 HD12 ILE A 74 -4.684 -7.733 -6.373 1.00 1.81 H new ATOM 0 HD13 ILE A 74 -5.713 -6.402 -6.953 1.00 1.81 H new ATOM 1085 N SER A 75 -2.271 -8.762 -5.927 1.00 0.30 N ATOM 1086 CA SER A 75 -1.920 -10.160 -6.171 1.00 0.38 C ATOM 1087 C SER A 75 -2.042 -10.545 -7.654 1.00 0.44 C ATOM 1088 O SER A 75 -1.369 -11.462 -8.122 1.00 0.50 O ATOM 1089 CB SER A 75 -2.802 -11.072 -5.313 1.00 0.47 C ATOM 1090 OG SER A 75 -2.398 -12.428 -5.413 1.00 1.16 O ATOM 0 H SER A 75 -2.958 -8.632 -5.184 1.00 0.30 H new ATOM 0 HA SER A 75 -0.874 -10.289 -5.893 1.00 0.38 H new ATOM 0 HB2 SER A 75 -2.754 -10.752 -4.272 1.00 0.47 H new ATOM 0 HB3 SER A 75 -3.841 -10.976 -5.628 1.00 0.47 H new ATOM 0 HG SER A 75 -3.176 -13.011 -5.288 1.00 1.16 H new ATOM 1096 N LYS A 76 -2.903 -9.838 -8.383 1.00 0.45 N ATOM 1097 CA LYS A 76 -3.268 -10.230 -9.743 1.00 0.54 C ATOM 1098 C LYS A 76 -2.257 -9.763 -10.793 1.00 0.55 C ATOM 1099 O LYS A 76 -1.696 -10.568 -11.538 1.00 0.61 O ATOM 1100 CB LYS A 76 -4.624 -9.609 -10.050 1.00 0.60 C ATOM 1101 CG LYS A 76 -5.775 -10.235 -9.275 1.00 1.21 C ATOM 1102 CD LYS A 76 -5.917 -11.716 -9.583 1.00 1.70 C ATOM 1103 CE LYS A 76 -7.034 -12.355 -8.773 1.00 2.16 C ATOM 1104 NZ LYS A 76 -8.373 -11.811 -9.123 1.00 2.51 N ATOM 0 H LYS A 76 -3.362 -8.989 -8.054 1.00 0.45 H new ATOM 0 HA LYS A 76 -3.290 -11.319 -9.791 1.00 0.54 H new ATOM 0 HB2 LYS A 76 -4.584 -8.543 -9.826 1.00 0.60 H new ATOM 0 HB3 LYS A 76 -4.823 -9.703 -11.118 1.00 0.60 H new ATOM 0 HG2 LYS A 76 -5.611 -10.099 -8.206 1.00 1.21 H new ATOM 0 HG3 LYS A 76 -6.704 -9.721 -9.523 1.00 1.21 H new ATOM 0 HD2 LYS A 76 -6.117 -11.849 -10.646 1.00 1.70 H new ATOM 0 HD3 LYS A 76 -4.976 -12.224 -9.369 1.00 1.70 H new ATOM 0 HE2 LYS A 76 -7.028 -13.432 -8.939 1.00 2.16 H new ATOM 0 HE3 LYS A 76 -6.846 -12.195 -7.711 1.00 2.16 H new ATOM 0 HZ1 LYS A 76 -9.110 -12.369 -8.646 1.00 2.51 H new ATOM 0 HZ2 LYS A 76 -8.436 -10.819 -8.816 1.00 2.51 H new ATOM 0 HZ3 LYS A 76 -8.511 -11.864 -10.152 1.00 2.51 H new ATOM 1118 N THR A 77 -2.041 -8.464 -10.854 1.00 0.51 N ATOM 1119 CA THR A 77 -1.043 -7.883 -11.737 1.00 0.53 C ATOM 1120 C THR A 77 0.061 -7.279 -10.896 1.00 0.47 C ATOM 1121 O THR A 77 -0.103 -7.143 -9.698 1.00 0.46 O ATOM 1122 CB THR A 77 -1.675 -6.806 -12.634 1.00 0.62 C ATOM 1123 OG1 THR A 77 -2.633 -6.048 -11.881 1.00 1.45 O ATOM 1124 CG2 THR A 77 -2.352 -7.436 -13.842 1.00 1.29 C ATOM 0 H THR A 77 -2.551 -7.780 -10.294 1.00 0.51 H new ATOM 0 HA THR A 77 -0.634 -8.661 -12.381 1.00 0.53 H new ATOM 0 HB THR A 77 -0.884 -6.145 -12.988 1.00 0.62 H new ATOM 0 HG1 THR A 77 -3.044 -5.372 -12.460 1.00 1.45 H new ATOM 0 HG21 THR A 77 -2.792 -6.654 -14.461 1.00 1.29 H new ATOM 0 HG22 THR A 77 -1.615 -7.989 -14.425 1.00 1.29 H new ATOM 0 HG23 THR A 77 -3.135 -8.116 -13.507 1.00 1.29 H new ATOM 1132 N GLN A 78 1.168 -6.872 -11.481 1.00 0.50 N ATOM 1133 CA GLN A 78 2.196 -6.279 -10.656 1.00 0.49 C ATOM 1134 C GLN A 78 2.144 -4.769 -10.792 1.00 0.46 C ATOM 1135 O GLN A 78 3.023 -4.128 -11.372 1.00 0.48 O ATOM 1136 CB GLN A 78 3.585 -6.827 -11.017 1.00 0.59 C ATOM 1137 CG GLN A 78 3.792 -8.286 -10.606 1.00 1.49 C ATOM 1138 CD GLN A 78 3.373 -9.292 -11.670 1.00 2.14 C ATOM 1139 OE1 GLN A 78 2.508 -9.025 -12.502 1.00 2.69 O ATOM 1140 NE2 GLN A 78 3.963 -10.477 -11.629 1.00 2.90 N ATOM 0 H GLN A 78 1.374 -6.936 -12.478 1.00 0.50 H new ATOM 0 HA GLN A 78 2.012 -6.544 -9.615 1.00 0.49 H new ATOM 0 HB2 GLN A 78 3.734 -6.736 -12.093 1.00 0.59 H new ATOM 0 HB3 GLN A 78 4.346 -6.211 -10.537 1.00 0.59 H new ATOM 0 HG2 GLN A 78 4.844 -8.440 -10.368 1.00 1.49 H new ATOM 0 HG3 GLN A 78 3.227 -8.480 -9.694 1.00 1.49 H new ATOM 0 HE21 GLN A 78 4.677 -10.667 -10.926 1.00 2.90 H new ATOM 0 HE22 GLN A 78 3.703 -11.200 -12.300 1.00 2.90 H new ATOM 1149 N LEU A 79 1.090 -4.223 -10.200 1.00 0.46 N ATOM 1150 CA LEU A 79 0.922 -2.795 -10.029 1.00 0.45 C ATOM 1151 C LEU A 79 1.317 -2.437 -8.616 1.00 0.42 C ATOM 1152 O LEU A 79 0.672 -2.866 -7.657 1.00 0.54 O ATOM 1153 CB LEU A 79 -0.529 -2.370 -10.298 1.00 0.59 C ATOM 1154 CG LEU A 79 -0.908 -2.149 -11.768 1.00 0.95 C ATOM 1155 CD1 LEU A 79 -0.687 -3.404 -12.597 1.00 1.95 C ATOM 1156 CD2 LEU A 79 -2.358 -1.701 -11.867 1.00 1.61 C ATOM 0 H LEU A 79 0.319 -4.772 -9.821 1.00 0.46 H new ATOM 0 HA LEU A 79 1.554 -2.269 -10.745 1.00 0.45 H new ATOM 0 HB2 LEU A 79 -1.191 -3.130 -9.884 1.00 0.59 H new ATOM 0 HB3 LEU A 79 -0.723 -1.447 -9.752 1.00 0.59 H new ATOM 0 HG LEU A 79 -0.260 -1.370 -12.170 1.00 0.95 H new ATOM 0 HD11 LEU A 79 -0.966 -3.210 -13.633 1.00 1.95 H new ATOM 0 HD12 LEU A 79 0.364 -3.689 -12.552 1.00 1.95 H new ATOM 0 HD13 LEU A 79 -1.300 -4.214 -12.202 1.00 1.95 H new ATOM 0 HD21 LEU A 79 -2.620 -1.546 -12.914 1.00 1.61 H new ATOM 0 HD22 LEU A 79 -3.005 -2.467 -11.440 1.00 1.61 H new ATOM 0 HD23 LEU A 79 -2.489 -0.768 -11.318 1.00 1.61 H new ATOM 1168 N TYR A 80 2.382 -1.685 -8.477 1.00 0.34 N ATOM 1169 CA TYR A 80 2.906 -1.376 -7.168 1.00 0.38 C ATOM 1170 C TYR A 80 2.569 0.052 -6.803 1.00 0.34 C ATOM 1171 O TYR A 80 2.330 0.885 -7.666 1.00 0.45 O ATOM 1172 CB TYR A 80 4.417 -1.633 -7.121 1.00 0.60 C ATOM 1173 CG TYR A 80 4.771 -3.109 -7.136 1.00 1.27 C ATOM 1174 CD1 TYR A 80 3.790 -4.069 -7.342 1.00 2.27 C ATOM 1175 CD2 TYR A 80 6.076 -3.544 -6.938 1.00 1.56 C ATOM 1176 CE1 TYR A 80 4.090 -5.410 -7.350 1.00 3.30 C ATOM 1177 CE2 TYR A 80 6.384 -4.892 -6.946 1.00 2.49 C ATOM 1178 CZ TYR A 80 5.384 -5.819 -7.152 1.00 3.33 C ATOM 1179 OH TYR A 80 5.677 -7.159 -7.160 1.00 4.39 O ATOM 0 H TYR A 80 2.903 -1.276 -9.253 1.00 0.34 H new ATOM 0 HA TYR A 80 2.442 -2.030 -6.430 1.00 0.38 H new ATOM 0 HB2 TYR A 80 4.889 -1.144 -7.973 1.00 0.60 H new ATOM 0 HB3 TYR A 80 4.829 -1.176 -6.222 1.00 0.60 H new ATOM 0 HD1 TYR A 80 2.769 -3.755 -7.499 1.00 2.27 H new ATOM 0 HD2 TYR A 80 6.860 -2.819 -6.776 1.00 1.56 H new ATOM 0 HE1 TYR A 80 3.310 -6.139 -7.512 1.00 3.30 H new ATOM 0 HE2 TYR A 80 7.402 -5.217 -6.792 1.00 2.49 H new ATOM 0 HH TYR A 80 5.432 -7.542 -8.028 1.00 4.39 H new ATOM 1189 N VAL A 81 2.513 0.317 -5.524 1.00 0.32 N ATOM 1190 CA VAL A 81 2.119 1.624 -5.030 1.00 0.32 C ATOM 1191 C VAL A 81 3.323 2.540 -4.942 1.00 0.32 C ATOM 1192 O VAL A 81 4.274 2.241 -4.229 1.00 0.36 O ATOM 1193 CB VAL A 81 1.455 1.545 -3.646 1.00 0.36 C ATOM 1194 CG1 VAL A 81 0.892 2.902 -3.245 1.00 0.46 C ATOM 1195 CG2 VAL A 81 0.365 0.484 -3.633 1.00 0.38 C ATOM 0 H VAL A 81 2.737 -0.359 -4.793 1.00 0.32 H new ATOM 0 HA VAL A 81 1.393 2.022 -5.738 1.00 0.32 H new ATOM 0 HB VAL A 81 2.214 1.261 -2.917 1.00 0.36 H new ATOM 0 HG11 VAL A 81 0.426 2.827 -2.263 1.00 0.46 H new ATOM 0 HG12 VAL A 81 1.699 3.634 -3.209 1.00 0.46 H new ATOM 0 HG13 VAL A 81 0.148 3.218 -3.976 1.00 0.46 H new ATOM 0 HG21 VAL A 81 -0.092 0.444 -2.644 1.00 0.38 H new ATOM 0 HG22 VAL A 81 -0.394 0.733 -4.374 1.00 0.38 H new ATOM 0 HG23 VAL A 81 0.799 -0.487 -3.871 1.00 0.38 H new ATOM 1205 N THR A 82 3.295 3.639 -5.676 1.00 0.32 N ATOM 1206 CA THR A 82 4.376 4.599 -5.612 1.00 0.32 C ATOM 1207 C THR A 82 3.979 5.738 -4.704 1.00 0.31 C ATOM 1208 O THR A 82 2.809 6.126 -4.629 1.00 0.32 O ATOM 1209 CB THR A 82 4.757 5.180 -6.997 1.00 0.32 C ATOM 1210 OG1 THR A 82 6.105 5.651 -6.982 1.00 1.22 O ATOM 1211 CG2 THR A 82 3.881 6.350 -7.384 1.00 1.37 C ATOM 0 H THR A 82 2.541 3.885 -6.317 1.00 0.32 H new ATOM 0 HA THR A 82 5.247 4.068 -5.228 1.00 0.32 H new ATOM 0 HB THR A 82 4.625 4.372 -7.716 1.00 0.32 H new ATOM 0 HG1 THR A 82 6.334 6.014 -7.863 1.00 1.22 H new ATOM 0 HG21 THR A 82 4.185 6.724 -8.362 1.00 1.37 H new ATOM 0 HG22 THR A 82 2.841 6.027 -7.426 1.00 1.37 H new ATOM 0 HG23 THR A 82 3.985 7.143 -6.643 1.00 1.37 H new ATOM 1219 N ALA A 83 4.948 6.235 -3.990 1.00 0.33 N ATOM 1220 CA ALA A 83 4.742 7.400 -3.163 1.00 0.32 C ATOM 1221 C ALA A 83 5.337 8.631 -3.835 1.00 0.27 C ATOM 1222 O ALA A 83 6.538 8.679 -4.112 1.00 0.31 O ATOM 1223 CB ALA A 83 5.342 7.180 -1.783 1.00 0.41 C ATOM 0 H ALA A 83 5.894 5.854 -3.961 1.00 0.33 H new ATOM 0 HA ALA A 83 3.672 7.566 -3.040 1.00 0.32 H new ATOM 0 HB1 ALA A 83 5.179 8.066 -1.170 1.00 0.41 H new ATOM 0 HB2 ALA A 83 4.865 6.320 -1.312 1.00 0.41 H new ATOM 0 HB3 ALA A 83 6.412 6.995 -1.877 1.00 0.41 H new ATOM 1229 N GLN A 84 4.492 9.616 -4.113 1.00 0.25 N ATOM 1230 CA GLN A 84 4.940 10.838 -4.764 1.00 0.26 C ATOM 1231 C GLN A 84 5.251 11.906 -3.726 1.00 0.25 C ATOM 1232 O GLN A 84 6.241 11.791 -3.018 1.00 0.28 O ATOM 1233 CB GLN A 84 3.966 11.358 -5.822 1.00 0.33 C ATOM 1234 CG GLN A 84 4.657 12.295 -6.803 1.00 0.77 C ATOM 1235 CD GLN A 84 3.731 12.909 -7.828 1.00 1.32 C ATOM 1236 OE1 GLN A 84 2.726 12.320 -8.222 1.00 2.05 O ATOM 1237 NE2 GLN A 84 4.079 14.104 -8.276 1.00 2.02 N ATOM 0 H GLN A 84 3.495 9.592 -3.898 1.00 0.25 H new ATOM 0 HA GLN A 84 5.853 10.588 -5.304 1.00 0.26 H new ATOM 0 HB2 GLN A 84 3.533 10.517 -6.364 1.00 0.33 H new ATOM 0 HB3 GLN A 84 3.143 11.882 -5.335 1.00 0.33 H new ATOM 0 HG2 GLN A 84 5.143 13.094 -6.244 1.00 0.77 H new ATOM 0 HG3 GLN A 84 5.442 11.745 -7.322 1.00 0.77 H new ATOM 0 HE21 GLN A 84 4.922 14.556 -7.921 1.00 2.02 H new ATOM 0 HE22 GLN A 84 3.505 14.573 -8.976 1.00 2.02 H new ATOM 1246 N ASP A 85 4.459 12.971 -3.658 1.00 0.24 N ATOM 1247 CA ASP A 85 4.743 14.023 -2.677 1.00 0.28 C ATOM 1248 C ASP A 85 3.475 14.598 -2.050 1.00 0.26 C ATOM 1249 O ASP A 85 2.739 15.353 -2.687 1.00 0.27 O ATOM 1250 CB ASP A 85 5.556 15.145 -3.325 1.00 0.34 C ATOM 1251 CG ASP A 85 5.963 16.215 -2.333 1.00 0.44 C ATOM 1252 OD1 ASP A 85 6.787 15.923 -1.444 1.00 0.53 O ATOM 1253 OD2 ASP A 85 5.484 17.361 -2.449 1.00 0.56 O ATOM 0 H ASP A 85 3.641 13.131 -4.247 1.00 0.24 H new ATOM 0 HA ASP A 85 5.321 13.562 -1.876 1.00 0.28 H new ATOM 0 HB2 ASP A 85 6.449 14.723 -3.785 1.00 0.34 H new ATOM 0 HB3 ASP A 85 4.970 15.599 -4.124 1.00 0.34 H new ATOM 1258 N GLU A 86 3.250 14.220 -0.786 1.00 0.27 N ATOM 1259 CA GLU A 86 2.158 14.739 0.045 1.00 0.29 C ATOM 1260 C GLU A 86 0.827 14.683 -0.714 1.00 0.22 C ATOM 1261 O GLU A 86 0.579 13.684 -1.345 1.00 0.19 O ATOM 1262 CB GLU A 86 2.535 16.121 0.582 1.00 0.40 C ATOM 1263 CG GLU A 86 1.501 16.753 1.507 1.00 0.51 C ATOM 1264 CD GLU A 86 1.902 18.127 1.997 1.00 0.78 C ATOM 1265 OE1 GLU A 86 2.700 18.794 1.306 1.00 1.62 O ATOM 1266 OE2 GLU A 86 1.420 18.551 3.067 1.00 1.04 O ATOM 0 H GLU A 86 3.831 13.534 -0.304 1.00 0.27 H new ATOM 0 HA GLU A 86 2.007 14.107 0.920 1.00 0.29 H new ATOM 0 HB2 GLU A 86 3.481 16.041 1.118 1.00 0.40 H new ATOM 0 HB3 GLU A 86 2.703 16.790 -0.262 1.00 0.40 H new ATOM 0 HG2 GLU A 86 0.549 16.825 0.982 1.00 0.51 H new ATOM 0 HG3 GLU A 86 1.343 16.100 2.365 1.00 0.51 H new ATOM 1273 N ASP A 87 -0.006 15.728 -0.705 1.00 0.22 N ATOM 1274 CA ASP A 87 -1.304 15.656 -1.366 1.00 0.20 C ATOM 1275 C ASP A 87 -1.124 15.612 -2.878 1.00 0.23 C ATOM 1276 O ASP A 87 -1.280 16.605 -3.588 1.00 0.30 O ATOM 1277 CB ASP A 87 -2.193 16.836 -0.976 1.00 0.28 C ATOM 1278 CG ASP A 87 -3.625 16.643 -1.439 1.00 0.33 C ATOM 1279 OD1 ASP A 87 -4.362 15.874 -0.788 1.00 0.56 O ATOM 1280 OD2 ASP A 87 -4.026 17.260 -2.446 1.00 0.61 O ATOM 0 H ASP A 87 0.195 16.620 -0.253 1.00 0.22 H new ATOM 0 HA ASP A 87 -1.796 14.741 -1.038 1.00 0.20 H new ATOM 0 HB2 ASP A 87 -2.175 16.962 0.107 1.00 0.28 H new ATOM 0 HB3 ASP A 87 -1.792 17.752 -1.410 1.00 0.28 H new ATOM 1285 N GLN A 88 -0.754 14.437 -3.327 1.00 0.19 N ATOM 1286 CA GLN A 88 -0.648 14.090 -4.720 1.00 0.24 C ATOM 1287 C GLN A 88 -0.825 12.590 -4.762 1.00 0.21 C ATOM 1288 O GLN A 88 -0.076 11.872 -4.101 1.00 0.19 O ATOM 1289 CB GLN A 88 0.724 14.494 -5.266 1.00 0.32 C ATOM 1290 CG GLN A 88 0.820 14.459 -6.780 1.00 1.03 C ATOM 1291 CD GLN A 88 -0.014 15.536 -7.441 1.00 1.28 C ATOM 1292 OE1 GLN A 88 -1.183 15.327 -7.763 1.00 1.89 O ATOM 1293 NE2 GLN A 88 0.579 16.700 -7.648 1.00 1.93 N ATOM 0 H GLN A 88 -0.509 13.667 -2.705 1.00 0.19 H new ATOM 0 HA GLN A 88 -1.389 14.603 -5.333 1.00 0.24 H new ATOM 0 HB2 GLN A 88 0.959 15.501 -4.920 1.00 0.32 H new ATOM 0 HB3 GLN A 88 1.480 13.829 -4.849 1.00 0.32 H new ATOM 0 HG2 GLN A 88 1.862 14.578 -7.077 1.00 1.03 H new ATOM 0 HG3 GLN A 88 0.496 13.482 -7.139 1.00 1.03 H new ATOM 0 HE21 GLN A 88 1.550 16.835 -7.367 1.00 1.93 H new ATOM 0 HE22 GLN A 88 0.065 17.463 -8.089 1.00 1.93 H new ATOM 1302 N PRO A 89 -1.813 12.085 -5.500 1.00 0.24 N ATOM 1303 CA PRO A 89 -2.249 10.704 -5.339 1.00 0.24 C ATOM 1304 C PRO A 89 -1.145 9.706 -5.626 1.00 0.21 C ATOM 1305 O PRO A 89 -0.260 9.948 -6.448 1.00 0.22 O ATOM 1306 CB PRO A 89 -3.377 10.553 -6.366 1.00 0.33 C ATOM 1307 CG PRO A 89 -3.188 11.678 -7.325 1.00 0.58 C ATOM 1308 CD PRO A 89 -2.575 12.797 -6.534 1.00 0.33 C ATOM 0 HA PRO A 89 -2.558 10.502 -4.313 1.00 0.24 H new ATOM 0 HB2 PRO A 89 -3.321 9.590 -6.873 1.00 0.33 H new ATOM 0 HB3 PRO A 89 -4.355 10.604 -5.887 1.00 0.33 H new ATOM 0 HG2 PRO A 89 -2.540 11.383 -8.150 1.00 0.58 H new ATOM 0 HG3 PRO A 89 -4.139 11.984 -7.761 1.00 0.58 H new ATOM 0 HD2 PRO A 89 -1.931 13.423 -7.151 1.00 0.33 H new ATOM 0 HD3 PRO A 89 -3.334 13.449 -6.101 1.00 0.33 H new ATOM 1316 N VAL A 90 -1.207 8.589 -4.919 1.00 0.23 N ATOM 1317 CA VAL A 90 -0.284 7.497 -5.135 1.00 0.24 C ATOM 1318 C VAL A 90 -0.451 6.961 -6.556 1.00 0.24 C ATOM 1319 O VAL A 90 -1.564 6.688 -7.014 1.00 0.28 O ATOM 1320 CB VAL A 90 -0.492 6.378 -4.078 1.00 0.36 C ATOM 1321 CG1 VAL A 90 -0.483 6.971 -2.677 1.00 1.31 C ATOM 1322 CG2 VAL A 90 -1.778 5.602 -4.321 1.00 1.10 C ATOM 0 H VAL A 90 -1.895 8.419 -4.185 1.00 0.23 H new ATOM 0 HA VAL A 90 0.736 7.863 -5.019 1.00 0.24 H new ATOM 0 HB VAL A 90 0.335 5.674 -4.173 1.00 0.36 H new ATOM 0 HG11 VAL A 90 -0.630 6.177 -1.945 1.00 1.31 H new ATOM 0 HG12 VAL A 90 0.474 7.460 -2.495 1.00 1.31 H new ATOM 0 HG13 VAL A 90 -1.287 7.701 -2.586 1.00 1.31 H new ATOM 0 HG21 VAL A 90 -1.886 4.829 -3.560 1.00 1.10 H new ATOM 0 HG22 VAL A 90 -2.628 6.282 -4.270 1.00 1.10 H new ATOM 0 HG23 VAL A 90 -1.742 5.138 -5.307 1.00 1.10 H new ATOM 1332 N LEU A 91 0.659 6.852 -7.263 1.00 0.22 N ATOM 1333 CA LEU A 91 0.640 6.531 -8.676 1.00 0.24 C ATOM 1334 C LEU A 91 0.927 5.054 -8.817 1.00 0.26 C ATOM 1335 O LEU A 91 1.680 4.506 -8.020 1.00 0.33 O ATOM 1336 CB LEU A 91 1.672 7.370 -9.442 1.00 0.30 C ATOM 1337 CG LEU A 91 1.620 8.883 -9.188 1.00 0.31 C ATOM 1338 CD1 LEU A 91 2.725 9.578 -9.969 1.00 0.42 C ATOM 1339 CD2 LEU A 91 0.259 9.440 -9.585 1.00 0.34 C ATOM 0 H LEU A 91 1.593 6.983 -6.876 1.00 0.22 H new ATOM 0 HA LEU A 91 -0.336 6.764 -9.102 1.00 0.24 H new ATOM 0 HB2 LEU A 91 2.668 7.011 -9.184 1.00 0.30 H new ATOM 0 HB3 LEU A 91 1.536 7.194 -10.509 1.00 0.30 H new ATOM 0 HG LEU A 91 1.771 9.068 -8.124 1.00 0.31 H new ATOM 0 HD11 LEU A 91 2.682 10.651 -9.784 1.00 0.42 H new ATOM 0 HD12 LEU A 91 3.694 9.193 -9.650 1.00 0.42 H new ATOM 0 HD13 LEU A 91 2.593 9.388 -11.034 1.00 0.42 H new ATOM 0 HD21 LEU A 91 0.237 10.514 -9.399 1.00 0.34 H new ATOM 0 HD22 LEU A 91 0.083 9.251 -10.644 1.00 0.34 H new ATOM 0 HD23 LEU A 91 -0.519 8.954 -8.996 1.00 0.34 H new ATOM 1351 N LEU A 92 0.343 4.372 -9.778 1.00 0.27 N ATOM 1352 CA LEU A 92 0.526 2.943 -9.799 1.00 0.28 C ATOM 1353 C LEU A 92 1.712 2.607 -10.688 1.00 0.29 C ATOM 1354 O LEU A 92 1.692 2.699 -11.911 1.00 0.31 O ATOM 1355 CB LEU A 92 -0.763 2.187 -10.178 1.00 0.32 C ATOM 1356 CG LEU A 92 -1.393 2.499 -11.534 1.00 0.76 C ATOM 1357 CD1 LEU A 92 -0.881 1.535 -12.597 1.00 1.15 C ATOM 1358 CD2 LEU A 92 -2.908 2.428 -11.431 1.00 1.30 C ATOM 0 H LEU A 92 -0.236 4.763 -10.521 1.00 0.27 H new ATOM 0 HA LEU A 92 0.752 2.597 -8.790 1.00 0.28 H new ATOM 0 HB2 LEU A 92 -0.548 1.119 -10.145 1.00 0.32 H new ATOM 0 HB3 LEU A 92 -1.508 2.386 -9.408 1.00 0.32 H new ATOM 0 HG LEU A 92 -1.109 3.509 -11.829 1.00 0.76 H new ATOM 0 HD11 LEU A 92 -1.341 1.773 -13.556 1.00 1.15 H new ATOM 0 HD12 LEU A 92 0.202 1.628 -12.681 1.00 1.15 H new ATOM 0 HD13 LEU A 92 -1.137 0.514 -12.315 1.00 1.15 H new ATOM 0 HD21 LEU A 92 -3.350 2.652 -12.402 1.00 1.30 H new ATOM 0 HD22 LEU A 92 -3.205 1.427 -11.119 1.00 1.30 H new ATOM 0 HD23 LEU A 92 -3.257 3.155 -10.698 1.00 1.30 H new ATOM 1370 N LYS A 93 2.787 2.313 -9.976 1.00 0.31 N ATOM 1371 CA LYS A 93 4.105 2.078 -10.517 1.00 0.37 C ATOM 1372 C LYS A 93 4.233 0.594 -10.791 1.00 0.38 C ATOM 1373 O LYS A 93 4.146 -0.213 -9.876 1.00 0.39 O ATOM 1374 CB LYS A 93 5.149 2.495 -9.455 1.00 0.46 C ATOM 1375 CG LYS A 93 6.593 2.453 -9.904 1.00 1.29 C ATOM 1376 CD LYS A 93 6.851 3.324 -11.126 1.00 2.11 C ATOM 1377 CE LYS A 93 6.920 2.498 -12.401 1.00 2.85 C ATOM 1378 NZ LYS A 93 7.300 3.321 -13.577 1.00 3.26 N ATOM 0 H LYS A 93 2.758 2.229 -8.960 1.00 0.31 H new ATOM 0 HA LYS A 93 4.264 2.647 -11.433 1.00 0.37 H new ATOM 0 HB2 LYS A 93 4.920 3.508 -9.125 1.00 0.46 H new ATOM 0 HB3 LYS A 93 5.038 1.844 -8.588 1.00 0.46 H new ATOM 0 HG2 LYS A 93 7.234 2.782 -9.086 1.00 1.29 H new ATOM 0 HG3 LYS A 93 6.869 1.423 -10.131 1.00 1.29 H new ATOM 0 HD2 LYS A 93 6.059 4.068 -11.217 1.00 2.11 H new ATOM 0 HD3 LYS A 93 7.786 3.868 -10.994 1.00 2.11 H new ATOM 0 HE2 LYS A 93 7.644 1.693 -12.273 1.00 2.85 H new ATOM 0 HE3 LYS A 93 5.952 2.031 -12.583 1.00 2.85 H new ATOM 0 HZ1 LYS A 93 7.335 2.720 -14.425 1.00 3.26 H new ATOM 0 HZ2 LYS A 93 6.596 4.074 -13.716 1.00 3.26 H new ATOM 0 HZ3 LYS A 93 8.235 3.747 -13.415 1.00 3.26 H new ATOM 1392 N GLU A 94 4.442 0.219 -12.038 1.00 0.43 N ATOM 1393 CA GLU A 94 4.397 -1.186 -12.381 1.00 0.47 C ATOM 1394 C GLU A 94 5.794 -1.768 -12.331 1.00 0.52 C ATOM 1395 O GLU A 94 6.587 -1.670 -13.269 1.00 0.62 O ATOM 1396 CB GLU A 94 3.777 -1.387 -13.768 1.00 0.56 C ATOM 1397 CG GLU A 94 3.774 -2.836 -14.229 1.00 1.38 C ATOM 1398 CD GLU A 94 3.091 -3.027 -15.566 1.00 1.76 C ATOM 1399 OE1 GLU A 94 3.550 -2.434 -16.567 1.00 2.05 O ATOM 1400 OE2 GLU A 94 2.105 -3.789 -15.629 1.00 2.33 O ATOM 0 H GLU A 94 4.640 0.852 -12.813 1.00 0.43 H new ATOM 0 HA GLU A 94 3.770 -1.706 -11.656 1.00 0.47 H new ATOM 0 HB2 GLU A 94 2.752 -1.016 -13.756 1.00 0.56 H new ATOM 0 HB3 GLU A 94 4.325 -0.785 -14.493 1.00 0.56 H new ATOM 0 HG2 GLU A 94 4.802 -3.192 -14.298 1.00 1.38 H new ATOM 0 HG3 GLU A 94 3.273 -3.449 -13.480 1.00 1.38 H new ATOM 1407 N MET A 95 6.072 -2.345 -11.181 1.00 0.50 N ATOM 1408 CA MET A 95 7.334 -2.994 -10.898 1.00 0.59 C ATOM 1409 C MET A 95 7.085 -4.488 -10.734 1.00 0.66 C ATOM 1410 O MET A 95 6.285 -4.894 -9.898 1.00 0.65 O ATOM 1411 CB MET A 95 7.945 -2.387 -9.631 1.00 0.60 C ATOM 1412 CG MET A 95 9.340 -2.896 -9.312 1.00 1.21 C ATOM 1413 SD MET A 95 10.559 -2.418 -10.554 1.00 1.67 S ATOM 1414 CE MET A 95 12.066 -2.996 -9.778 1.00 2.39 C ATOM 0 H MET A 95 5.414 -2.376 -10.402 1.00 0.50 H new ATOM 0 HA MET A 95 8.039 -2.844 -11.716 1.00 0.59 H new ATOM 0 HB2 MET A 95 7.981 -1.303 -9.741 1.00 0.60 H new ATOM 0 HB3 MET A 95 7.290 -2.600 -8.786 1.00 0.60 H new ATOM 0 HG2 MET A 95 9.649 -2.512 -8.340 1.00 1.21 H new ATOM 0 HG3 MET A 95 9.316 -3.983 -9.232 1.00 1.21 H new ATOM 0 HE1 MET A 95 12.916 -2.774 -10.424 1.00 2.39 H new ATOM 0 HE2 MET A 95 12.197 -2.494 -8.820 1.00 2.39 H new ATOM 0 HE3 MET A 95 12.003 -4.072 -9.618 1.00 2.39 H new ATOM 1424 N PRO A 96 7.718 -5.330 -11.559 1.00 0.82 N ATOM 1425 CA PRO A 96 7.422 -6.762 -11.581 1.00 0.95 C ATOM 1426 C PRO A 96 8.073 -7.556 -10.444 1.00 0.93 C ATOM 1427 O PRO A 96 9.292 -7.525 -10.263 1.00 0.98 O ATOM 1428 CB PRO A 96 7.973 -7.196 -12.936 1.00 1.19 C ATOM 1429 CG PRO A 96 9.109 -6.265 -13.204 1.00 1.26 C ATOM 1430 CD PRO A 96 8.756 -4.957 -12.540 1.00 0.99 C ATOM 0 HA PRO A 96 6.358 -6.952 -11.440 1.00 0.95 H new ATOM 0 HB2 PRO A 96 8.309 -8.233 -12.912 1.00 1.19 H new ATOM 0 HB3 PRO A 96 7.212 -7.125 -13.713 1.00 1.19 H new ATOM 0 HG2 PRO A 96 10.041 -6.664 -12.804 1.00 1.26 H new ATOM 0 HG3 PRO A 96 9.255 -6.129 -14.276 1.00 1.26 H new ATOM 0 HD2 PRO A 96 9.623 -4.508 -12.055 1.00 0.99 H new ATOM 0 HD3 PRO A 96 8.382 -4.230 -13.261 1.00 0.99 H new ATOM 1438 N GLU A 97 7.225 -8.280 -9.706 1.00 0.98 N ATOM 1439 CA GLU A 97 7.624 -9.206 -8.645 1.00 1.06 C ATOM 1440 C GLU A 97 8.318 -8.523 -7.462 1.00 0.90 C ATOM 1441 O GLU A 97 9.208 -7.693 -7.620 1.00 0.88 O ATOM 1442 CB GLU A 97 8.496 -10.323 -9.210 1.00 1.32 C ATOM 1443 CG GLU A 97 7.728 -11.303 -10.084 1.00 1.84 C ATOM 1444 CD GLU A 97 6.573 -11.949 -9.342 1.00 2.42 C ATOM 1445 OE1 GLU A 97 6.816 -12.852 -8.517 1.00 3.15 O ATOM 1446 OE2 GLU A 97 5.412 -11.569 -9.599 1.00 2.74 O ATOM 0 H GLU A 97 6.214 -8.236 -9.835 1.00 0.98 H new ATOM 0 HA GLU A 97 6.702 -9.631 -8.249 1.00 1.06 H new ATOM 0 HB2 GLU A 97 9.305 -9.883 -9.794 1.00 1.32 H new ATOM 0 HB3 GLU A 97 8.957 -10.867 -8.385 1.00 1.32 H new ATOM 0 HG2 GLU A 97 7.347 -10.782 -10.963 1.00 1.84 H new ATOM 0 HG3 GLU A 97 8.407 -12.077 -10.441 1.00 1.84 H new ATOM 1453 N ILE A 98 7.890 -8.910 -6.262 1.00 1.08 N ATOM 1454 CA ILE A 98 8.420 -8.363 -5.022 1.00 1.17 C ATOM 1455 C ILE A 98 9.805 -8.922 -4.709 1.00 1.10 C ATOM 1456 O ILE A 98 10.011 -10.139 -4.703 1.00 1.29 O ATOM 1457 CB ILE A 98 7.463 -8.619 -3.841 1.00 1.61 C ATOM 1458 CG1 ILE A 98 7.095 -10.104 -3.742 1.00 2.25 C ATOM 1459 CG2 ILE A 98 6.215 -7.768 -4.001 1.00 2.35 C ATOM 1460 CD1 ILE A 98 6.191 -10.435 -2.572 1.00 3.20 C ATOM 0 H ILE A 98 7.164 -9.614 -6.126 1.00 1.08 H new ATOM 0 HA ILE A 98 8.512 -7.286 -5.163 1.00 1.17 H new ATOM 0 HB ILE A 98 7.968 -8.341 -2.916 1.00 1.61 H new ATOM 0 HG12 ILE A 98 6.604 -10.409 -4.666 1.00 2.25 H new ATOM 0 HG13 ILE A 98 8.010 -10.690 -3.659 1.00 2.25 H new ATOM 0 HG21 ILE A 98 5.540 -7.951 -3.165 1.00 2.35 H new ATOM 0 HG22 ILE A 98 6.493 -6.714 -4.019 1.00 2.35 H new ATOM 0 HG23 ILE A 98 5.715 -8.027 -4.934 1.00 2.35 H new ATOM 0 HD11 ILE A 98 5.975 -11.503 -2.570 1.00 3.20 H new ATOM 0 HD12 ILE A 98 6.687 -10.163 -1.640 1.00 3.20 H new ATOM 0 HD13 ILE A 98 5.259 -9.877 -2.663 1.00 3.20 H new ATOM 1472 N PRO A 99 10.774 -8.033 -4.468 1.00 1.08 N ATOM 1473 CA PRO A 99 12.160 -8.410 -4.242 1.00 1.14 C ATOM 1474 C PRO A 99 12.507 -8.683 -2.772 1.00 1.08 C ATOM 1475 O PRO A 99 11.905 -8.137 -1.856 1.00 1.15 O ATOM 1476 CB PRO A 99 12.912 -7.184 -4.749 1.00 1.38 C ATOM 1477 CG PRO A 99 12.007 -6.030 -4.469 1.00 1.61 C ATOM 1478 CD PRO A 99 10.597 -6.571 -4.420 1.00 1.28 C ATOM 0 HA PRO A 99 12.408 -9.348 -4.740 1.00 1.14 H new ATOM 0 HB2 PRO A 99 13.868 -7.069 -4.238 1.00 1.38 H new ATOM 0 HB3 PRO A 99 13.128 -7.266 -5.814 1.00 1.38 H new ATOM 0 HG2 PRO A 99 12.270 -5.555 -3.524 1.00 1.61 H new ATOM 0 HG3 PRO A 99 12.101 -5.270 -5.245 1.00 1.61 H new ATOM 0 HD2 PRO A 99 10.082 -6.261 -3.511 1.00 1.28 H new ATOM 0 HD3 PRO A 99 10.003 -6.213 -5.261 1.00 1.28 H new ATOM 1486 N LYS A 100 13.528 -9.507 -2.597 1.00 1.10 N ATOM 1487 CA LYS A 100 14.104 -9.859 -1.296 1.00 1.07 C ATOM 1488 C LYS A 100 15.285 -8.930 -1.059 1.00 1.03 C ATOM 1489 O LYS A 100 15.918 -8.899 -0.007 1.00 0.99 O ATOM 1490 CB LYS A 100 14.556 -11.320 -1.305 1.00 1.15 C ATOM 1491 CG LYS A 100 13.422 -12.303 -1.548 1.00 1.99 C ATOM 1492 CD LYS A 100 13.887 -13.545 -2.305 1.00 2.34 C ATOM 1493 CE LYS A 100 14.745 -14.480 -1.460 1.00 3.09 C ATOM 1494 NZ LYS A 100 16.089 -13.917 -1.153 1.00 3.70 N ATOM 0 H LYS A 100 13.998 -9.967 -3.377 1.00 1.10 H new ATOM 0 HA LYS A 100 13.370 -9.746 -0.498 1.00 1.07 H new ATOM 0 HB2 LYS A 100 15.314 -11.453 -2.077 1.00 1.15 H new ATOM 0 HB3 LYS A 100 15.029 -11.552 -0.351 1.00 1.15 H new ATOM 0 HG2 LYS A 100 12.992 -12.602 -0.592 1.00 1.99 H new ATOM 0 HG3 LYS A 100 12.631 -11.810 -2.113 1.00 1.99 H new ATOM 0 HD2 LYS A 100 13.015 -14.090 -2.666 1.00 2.34 H new ATOM 0 HD3 LYS A 100 14.455 -13.236 -3.183 1.00 2.34 H new ATOM 0 HE2 LYS A 100 14.226 -14.696 -0.526 1.00 3.09 H new ATOM 0 HE3 LYS A 100 14.865 -15.428 -1.985 1.00 3.09 H new ATOM 0 HZ1 LYS A 100 16.782 -14.690 -1.086 1.00 3.70 H new ATOM 0 HZ2 LYS A 100 16.372 -13.262 -1.910 1.00 3.70 H new ATOM 0 HZ3 LYS A 100 16.053 -13.405 -0.248 1.00 3.70 H new ATOM 1508 N THR A 101 15.629 -8.294 -2.149 1.00 1.10 N ATOM 1509 CA THR A 101 16.667 -7.309 -2.250 1.00 1.11 C ATOM 1510 C THR A 101 16.089 -6.076 -2.973 1.00 1.16 C ATOM 1511 O THR A 101 15.800 -6.132 -4.167 1.00 1.30 O ATOM 1512 CB THR A 101 17.822 -7.930 -3.058 1.00 1.30 C ATOM 1513 OG1 THR A 101 18.459 -8.952 -2.281 1.00 1.73 O ATOM 1514 CG2 THR A 101 18.840 -6.901 -3.516 1.00 1.92 C ATOM 0 H THR A 101 15.163 -8.462 -3.040 1.00 1.10 H new ATOM 0 HA THR A 101 17.036 -7.002 -1.272 1.00 1.11 H new ATOM 0 HB THR A 101 17.391 -8.364 -3.960 1.00 1.30 H new ATOM 0 HG1 THR A 101 17.933 -9.124 -1.473 1.00 1.73 H new ATOM 0 HG21 THR A 101 19.630 -7.397 -4.080 1.00 1.92 H new ATOM 0 HG22 THR A 101 18.350 -6.162 -4.150 1.00 1.92 H new ATOM 0 HG23 THR A 101 19.272 -6.404 -2.647 1.00 1.92 H new ATOM 1522 N ILE A 102 15.914 -4.975 -2.239 1.00 1.14 N ATOM 1523 CA ILE A 102 15.265 -3.784 -2.774 1.00 1.18 C ATOM 1524 C ILE A 102 16.314 -2.743 -3.066 1.00 1.22 C ATOM 1525 O ILE A 102 16.940 -2.221 -2.152 1.00 1.37 O ATOM 1526 CB ILE A 102 14.224 -3.191 -1.797 1.00 1.31 C ATOM 1527 CG1 ILE A 102 13.087 -4.185 -1.554 1.00 2.08 C ATOM 1528 CG2 ILE A 102 13.683 -1.869 -2.316 1.00 1.98 C ATOM 1529 CD1 ILE A 102 11.996 -3.652 -0.651 1.00 2.69 C ATOM 0 H ILE A 102 16.215 -4.887 -1.269 1.00 1.14 H new ATOM 0 HA ILE A 102 14.737 -4.075 -3.682 1.00 1.18 H new ATOM 0 HB ILE A 102 14.721 -3.000 -0.846 1.00 1.31 H new ATOM 0 HG12 ILE A 102 12.649 -4.464 -2.512 1.00 2.08 H new ATOM 0 HG13 ILE A 102 13.498 -5.094 -1.115 1.00 2.08 H new ATOM 0 HG21 ILE A 102 12.953 -1.473 -1.611 1.00 1.98 H new ATOM 0 HG22 ILE A 102 14.503 -1.159 -2.427 1.00 1.98 H new ATOM 0 HG23 ILE A 102 13.205 -2.026 -3.283 1.00 1.98 H new ATOM 0 HD11 ILE A 102 11.225 -4.412 -0.525 1.00 2.69 H new ATOM 0 HD12 ILE A 102 12.419 -3.400 0.321 1.00 2.69 H new ATOM 0 HD13 ILE A 102 11.557 -2.760 -1.098 1.00 2.69 H new ATOM 1541 N THR A 103 16.471 -2.407 -4.315 1.00 1.15 N ATOM 1542 CA THR A 103 17.581 -1.591 -4.714 1.00 1.20 C ATOM 1543 C THR A 103 17.078 -0.397 -5.501 1.00 1.08 C ATOM 1544 O THR A 103 16.286 -0.545 -6.426 1.00 1.05 O ATOM 1545 CB THR A 103 18.630 -2.409 -5.512 1.00 1.39 C ATOM 1546 OG1 THR A 103 19.851 -1.667 -5.639 1.00 1.58 O ATOM 1547 CG2 THR A 103 18.118 -2.799 -6.893 1.00 1.57 C ATOM 0 H THR A 103 15.846 -2.685 -5.072 1.00 1.15 H new ATOM 0 HA THR A 103 18.089 -1.226 -3.821 1.00 1.20 H new ATOM 0 HB THR A 103 18.817 -3.326 -4.953 1.00 1.39 H new ATOM 0 HG1 THR A 103 20.376 -2.027 -6.384 1.00 1.58 H new ATOM 0 HG21 THR A 103 18.884 -3.370 -7.417 1.00 1.57 H new ATOM 0 HG22 THR A 103 17.219 -3.407 -6.790 1.00 1.57 H new ATOM 0 HG23 THR A 103 17.884 -1.899 -7.462 1.00 1.57 H new ATOM 1555 N GLY A 104 17.581 0.769 -5.106 1.00 1.08 N ATOM 1556 CA GLY A 104 17.082 2.074 -5.544 1.00 1.03 C ATOM 1557 C GLY A 104 15.614 2.143 -5.962 1.00 0.92 C ATOM 1558 O GLY A 104 14.790 2.594 -5.178 1.00 0.84 O ATOM 0 H GLY A 104 18.365 0.837 -4.457 1.00 1.08 H new ATOM 0 HA2 GLY A 104 17.239 2.787 -4.735 1.00 1.03 H new ATOM 0 HA3 GLY A 104 17.691 2.406 -6.385 1.00 1.03 H new ATOM 1562 N SER A 105 15.290 1.704 -7.170 1.00 0.96 N ATOM 1563 CA SER A 105 14.024 2.041 -7.830 1.00 0.92 C ATOM 1564 C SER A 105 12.767 1.500 -7.127 1.00 0.81 C ATOM 1565 O SER A 105 11.676 2.026 -7.348 1.00 0.77 O ATOM 1566 CB SER A 105 14.060 1.526 -9.267 1.00 1.05 C ATOM 1567 OG SER A 105 15.330 1.754 -9.854 1.00 1.47 O ATOM 0 H SER A 105 15.896 1.101 -7.727 1.00 0.96 H new ATOM 0 HA SER A 105 13.942 3.127 -7.790 1.00 0.92 H new ATOM 0 HB2 SER A 105 13.834 0.460 -9.281 1.00 1.05 H new ATOM 0 HB3 SER A 105 13.288 2.023 -9.855 1.00 1.05 H new ATOM 0 HG SER A 105 15.331 1.415 -10.773 1.00 1.47 H new ATOM 1573 N GLU A 106 12.900 0.488 -6.271 1.00 0.79 N ATOM 1574 CA GLU A 106 11.736 -0.147 -5.653 1.00 0.72 C ATOM 1575 C GLU A 106 11.229 0.710 -4.483 1.00 0.56 C ATOM 1576 O GLU A 106 10.302 0.348 -3.765 1.00 0.51 O ATOM 1577 CB GLU A 106 12.116 -1.551 -5.173 1.00 0.82 C ATOM 1578 CG GLU A 106 10.939 -2.407 -4.738 1.00 1.28 C ATOM 1579 CD GLU A 106 10.049 -2.797 -5.896 1.00 1.74 C ATOM 1580 OE1 GLU A 106 9.138 -2.010 -6.233 1.00 2.11 O ATOM 1581 OE2 GLU A 106 10.254 -3.887 -6.462 1.00 2.39 O ATOM 0 H GLU A 106 13.797 0.092 -5.990 1.00 0.79 H new ATOM 0 HA GLU A 106 10.934 -0.232 -6.386 1.00 0.72 H new ATOM 0 HB2 GLU A 106 12.646 -2.065 -5.975 1.00 0.82 H new ATOM 0 HB3 GLU A 106 12.811 -1.460 -4.339 1.00 0.82 H new ATOM 0 HG2 GLU A 106 11.310 -3.308 -4.249 1.00 1.28 H new ATOM 0 HG3 GLU A 106 10.351 -1.863 -3.999 1.00 1.28 H new ATOM 1588 N THR A 107 11.853 1.867 -4.323 1.00 0.55 N ATOM 1589 CA THR A 107 11.617 2.750 -3.208 1.00 0.49 C ATOM 1590 C THR A 107 10.246 3.408 -3.295 1.00 0.37 C ATOM 1591 O THR A 107 9.832 4.100 -2.366 1.00 0.38 O ATOM 1592 CB THR A 107 12.702 3.847 -3.121 1.00 0.62 C ATOM 1593 OG1 THR A 107 12.534 4.607 -1.918 1.00 1.41 O ATOM 1594 CG2 THR A 107 12.637 4.783 -4.324 1.00 1.27 C ATOM 0 H THR A 107 12.549 2.218 -4.981 1.00 0.55 H new ATOM 0 HA THR A 107 11.657 2.135 -2.309 1.00 0.49 H new ATOM 0 HB THR A 107 13.676 3.357 -3.115 1.00 0.62 H new ATOM 0 HG1 THR A 107 11.578 4.739 -1.745 1.00 1.41 H new ATOM 0 HG21 THR A 107 13.412 5.544 -4.235 1.00 1.27 H new ATOM 0 HG22 THR A 107 12.793 4.211 -5.239 1.00 1.27 H new ATOM 0 HG23 THR A 107 11.659 5.263 -4.359 1.00 1.27 H new ATOM 1602 N ASN A 108 9.554 3.248 -4.417 1.00 0.34 N ATOM 1603 CA ASN A 108 8.230 3.770 -4.537 1.00 0.29 C ATOM 1604 C ASN A 108 7.308 2.982 -3.626 1.00 0.25 C ATOM 1605 O ASN A 108 6.415 3.535 -2.989 1.00 0.27 O ATOM 1606 CB ASN A 108 7.797 3.612 -5.991 1.00 0.40 C ATOM 1607 CG ASN A 108 8.740 4.303 -6.967 1.00 0.58 C ATOM 1608 OD1 ASN A 108 8.966 3.815 -8.074 1.00 1.39 O ATOM 1609 ND2 ASN A 108 9.281 5.450 -6.577 1.00 1.22 N ATOM 0 H ASN A 108 9.900 2.761 -5.244 1.00 0.34 H new ATOM 0 HA ASN A 108 8.192 4.821 -4.251 1.00 0.29 H new ATOM 0 HB2 ASN A 108 7.742 2.551 -6.236 1.00 0.40 H new ATOM 0 HB3 ASN A 108 6.793 4.020 -6.113 1.00 0.40 H new ATOM 0 HD21 ASN A 108 9.907 5.957 -7.202 1.00 1.22 H new ATOM 0 HD22 ASN A 108 9.071 5.824 -5.652 1.00 1.22 H new ATOM 1616 N LEU A 109 7.597 1.692 -3.538 1.00 0.25 N ATOM 1617 CA LEU A 109 6.778 0.749 -2.806 1.00 0.26 C ATOM 1618 C LEU A 109 7.213 0.550 -1.347 1.00 0.21 C ATOM 1619 O LEU A 109 7.115 -0.565 -0.828 1.00 0.23 O ATOM 1620 CB LEU A 109 6.813 -0.594 -3.534 1.00 0.41 C ATOM 1621 CG LEU A 109 5.774 -1.609 -3.068 1.00 0.54 C ATOM 1622 CD1 LEU A 109 4.383 -1.098 -3.366 1.00 0.83 C ATOM 1623 CD2 LEU A 109 5.999 -2.946 -3.744 1.00 0.95 C ATOM 0 H LEU A 109 8.415 1.271 -3.978 1.00 0.25 H new ATOM 0 HA LEU A 109 5.770 1.162 -2.769 1.00 0.26 H new ATOM 0 HB2 LEU A 109 6.672 -0.416 -4.600 1.00 0.41 H new ATOM 0 HB3 LEU A 109 7.805 -1.030 -3.412 1.00 0.41 H new ATOM 0 HG LEU A 109 5.877 -1.746 -1.992 1.00 0.54 H new ATOM 0 HD11 LEU A 109 3.647 -1.829 -3.030 1.00 0.83 H new ATOM 0 HD12 LEU A 109 4.222 -0.155 -2.844 1.00 0.83 H new ATOM 0 HD13 LEU A 109 4.275 -0.941 -4.439 1.00 0.83 H new ATOM 0 HD21 LEU A 109 5.249 -3.658 -3.400 1.00 0.95 H new ATOM 0 HD22 LEU A 109 5.917 -2.826 -4.824 1.00 0.95 H new ATOM 0 HD23 LEU A 109 6.993 -3.317 -3.495 1.00 0.95 H new ATOM 1635 N LEU A 110 7.653 1.589 -0.652 1.00 0.20 N ATOM 1636 CA LEU A 110 7.957 1.405 0.754 1.00 0.21 C ATOM 1637 C LEU A 110 6.821 1.920 1.622 1.00 0.23 C ATOM 1638 O LEU A 110 6.221 2.957 1.339 1.00 0.31 O ATOM 1639 CB LEU A 110 9.304 2.046 1.148 1.00 0.28 C ATOM 1640 CG LEU A 110 9.726 3.317 0.402 1.00 0.81 C ATOM 1641 CD1 LEU A 110 8.769 4.470 0.670 1.00 1.71 C ATOM 1642 CD2 LEU A 110 11.139 3.699 0.808 1.00 1.64 C ATOM 0 H LEU A 110 7.802 2.528 -1.020 1.00 0.20 H new ATOM 0 HA LEU A 110 8.059 0.334 0.928 1.00 0.21 H new ATOM 0 HB2 LEU A 110 9.268 2.277 2.213 1.00 0.28 H new ATOM 0 HB3 LEU A 110 10.086 1.299 1.010 1.00 0.28 H new ATOM 0 HG LEU A 110 9.696 3.110 -0.668 1.00 0.81 H new ATOM 0 HD11 LEU A 110 9.101 5.353 0.124 1.00 1.71 H new ATOM 0 HD12 LEU A 110 7.767 4.195 0.340 1.00 1.71 H new ATOM 0 HD13 LEU A 110 8.752 4.688 1.738 1.00 1.71 H new ATOM 0 HD21 LEU A 110 11.438 4.603 0.277 1.00 1.64 H new ATOM 0 HD22 LEU A 110 11.172 3.881 1.882 1.00 1.64 H new ATOM 0 HD23 LEU A 110 11.822 2.887 0.556 1.00 1.64 H new ATOM 1654 N PHE A 111 6.531 1.187 2.689 1.00 0.22 N ATOM 1655 CA PHE A 111 5.394 1.501 3.543 1.00 0.25 C ATOM 1656 C PHE A 111 5.707 1.269 5.010 1.00 0.23 C ATOM 1657 O PHE A 111 6.087 0.170 5.401 1.00 0.27 O ATOM 1658 CB PHE A 111 4.172 0.659 3.171 1.00 0.42 C ATOM 1659 CG PHE A 111 3.679 0.871 1.774 1.00 0.91 C ATOM 1660 CD1 PHE A 111 4.175 0.114 0.731 1.00 1.18 C ATOM 1661 CD2 PHE A 111 2.722 1.828 1.503 1.00 1.64 C ATOM 1662 CE1 PHE A 111 3.722 0.308 -0.554 1.00 1.90 C ATOM 1663 CE2 PHE A 111 2.266 2.022 0.223 1.00 2.38 C ATOM 1664 CZ PHE A 111 2.770 1.265 -0.808 1.00 2.46 C ATOM 0 H PHE A 111 7.068 0.371 2.983 1.00 0.22 H new ATOM 0 HA PHE A 111 5.178 2.558 3.386 1.00 0.25 H new ATOM 0 HB2 PHE A 111 4.419 -0.395 3.301 1.00 0.42 H new ATOM 0 HB3 PHE A 111 3.364 0.885 3.867 1.00 0.42 H new ATOM 0 HD1 PHE A 111 4.926 -0.638 0.926 1.00 1.18 H new ATOM 0 HD2 PHE A 111 2.327 2.431 2.307 1.00 1.64 H new ATOM 0 HE1 PHE A 111 4.115 -0.292 -1.362 1.00 1.90 H new ATOM 0 HE2 PHE A 111 1.511 2.769 0.026 1.00 2.38 H new ATOM 0 HZ PHE A 111 2.418 1.423 -1.817 1.00 2.46 H new ATOM 1674 N PHE A 112 5.538 2.310 5.805 1.00 0.21 N ATOM 1675 CA PHE A 112 5.680 2.210 7.253 1.00 0.25 C ATOM 1676 C PHE A 112 4.372 1.733 7.839 1.00 0.25 C ATOM 1677 O PHE A 112 3.380 2.464 7.857 1.00 0.26 O ATOM 1678 CB PHE A 112 6.099 3.536 7.900 1.00 0.30 C ATOM 1679 CG PHE A 112 6.029 3.520 9.405 1.00 0.57 C ATOM 1680 CD1 PHE A 112 6.718 2.560 10.129 1.00 0.79 C ATOM 1681 CD2 PHE A 112 5.276 4.460 10.092 1.00 0.95 C ATOM 1682 CE1 PHE A 112 6.658 2.536 11.508 1.00 1.21 C ATOM 1683 CE2 PHE A 112 5.212 4.441 11.471 1.00 1.43 C ATOM 1684 CZ PHE A 112 5.900 3.503 12.181 1.00 1.50 C ATOM 0 H PHE A 112 5.300 3.244 5.472 1.00 0.21 H new ATOM 0 HA PHE A 112 6.477 1.497 7.464 1.00 0.25 H new ATOM 0 HB2 PHE A 112 7.118 3.774 7.594 1.00 0.30 H new ATOM 0 HB3 PHE A 112 5.458 4.333 7.523 1.00 0.30 H new ATOM 0 HD1 PHE A 112 7.309 1.821 9.608 1.00 0.79 H new ATOM 0 HD2 PHE A 112 4.734 5.215 9.542 1.00 0.95 H new ATOM 0 HE1 PHE A 112 7.191 1.778 12.063 1.00 1.21 H new ATOM 0 HE2 PHE A 112 4.613 5.174 11.990 1.00 1.43 H new ATOM 0 HZ PHE A 112 5.861 3.505 13.260 1.00 1.50 H new ATOM 1694 N TRP A 113 4.381 0.510 8.314 1.00 0.31 N ATOM 1695 CA TRP A 113 3.159 -0.186 8.655 1.00 0.35 C ATOM 1696 C TRP A 113 2.815 0.093 10.121 1.00 0.33 C ATOM 1697 O TRP A 113 3.430 -0.445 11.046 1.00 0.37 O ATOM 1698 CB TRP A 113 3.438 -1.685 8.427 1.00 0.48 C ATOM 1699 CG TRP A 113 2.246 -2.589 8.349 1.00 1.08 C ATOM 1700 CD1 TRP A 113 1.274 -2.583 7.396 1.00 2.30 C ATOM 1701 CD2 TRP A 113 1.942 -3.682 9.226 1.00 1.17 C ATOM 1702 NE1 TRP A 113 0.361 -3.579 7.645 1.00 3.02 N ATOM 1703 CE2 TRP A 113 0.752 -4.271 8.761 1.00 2.29 C ATOM 1704 CE3 TRP A 113 2.555 -4.213 10.367 1.00 1.12 C ATOM 1705 CZ2 TRP A 113 0.162 -5.364 9.394 1.00 2.67 C ATOM 1706 CZ3 TRP A 113 1.971 -5.299 10.993 1.00 1.47 C ATOM 1707 CH2 TRP A 113 0.784 -5.865 10.506 1.00 2.02 C ATOM 0 H TRP A 113 5.231 -0.030 8.475 1.00 0.31 H new ATOM 0 HA TRP A 113 2.314 0.140 8.049 1.00 0.35 H new ATOM 0 HB2 TRP A 113 4.004 -1.788 7.501 1.00 0.48 H new ATOM 0 HB3 TRP A 113 4.080 -2.038 9.234 1.00 0.48 H new ATOM 0 HD1 TRP A 113 1.227 -1.895 6.565 1.00 2.30 H new ATOM 0 HE1 TRP A 113 -0.472 -3.772 7.089 1.00 3.02 H new ATOM 0 HE3 TRP A 113 3.468 -3.782 10.752 1.00 1.12 H new ATOM 0 HZ2 TRP A 113 -0.753 -5.800 9.021 1.00 2.67 H new ATOM 0 HZ3 TRP A 113 2.437 -5.719 11.872 1.00 1.47 H new ATOM 0 HH2 TRP A 113 0.352 -6.712 11.018 1.00 2.02 H new ATOM 1718 N GLU A 114 1.830 0.970 10.306 1.00 0.32 N ATOM 1719 CA GLU A 114 1.367 1.377 11.628 1.00 0.37 C ATOM 1720 C GLU A 114 0.022 0.725 11.927 1.00 0.39 C ATOM 1721 O GLU A 114 -1.006 1.159 11.409 1.00 0.42 O ATOM 1722 CB GLU A 114 1.242 2.902 11.694 1.00 0.43 C ATOM 1723 CG GLU A 114 1.699 3.507 13.013 1.00 0.96 C ATOM 1724 CD GLU A 114 1.037 2.873 14.219 1.00 1.50 C ATOM 1725 OE1 GLU A 114 -0.058 3.325 14.614 1.00 1.90 O ATOM 1726 OE2 GLU A 114 1.616 1.919 14.783 1.00 2.32 O ATOM 0 H GLU A 114 1.330 1.419 9.539 1.00 0.32 H new ATOM 0 HA GLU A 114 2.091 1.053 12.375 1.00 0.37 H new ATOM 0 HB2 GLU A 114 1.827 3.339 10.884 1.00 0.43 H new ATOM 0 HB3 GLU A 114 0.202 3.178 11.521 1.00 0.43 H new ATOM 0 HG2 GLU A 114 2.780 3.398 13.100 1.00 0.96 H new ATOM 0 HG3 GLU A 114 1.485 4.576 13.009 1.00 0.96 H new ATOM 1733 N THR A 115 0.019 -0.284 12.773 1.00 0.47 N ATOM 1734 CA THR A 115 -1.164 -1.109 12.956 1.00 0.49 C ATOM 1735 C THR A 115 -1.951 -0.702 14.196 1.00 0.52 C ATOM 1736 O THR A 115 -1.394 -0.588 15.290 1.00 0.64 O ATOM 1737 CB THR A 115 -0.769 -2.588 13.074 1.00 0.67 C ATOM 1738 OG1 THR A 115 0.234 -2.886 12.095 1.00 1.38 O ATOM 1739 CG2 THR A 115 -1.972 -3.493 12.860 1.00 1.39 C ATOM 0 H THR A 115 0.819 -0.555 13.345 1.00 0.47 H new ATOM 0 HA THR A 115 -1.798 -0.962 12.082 1.00 0.49 H new ATOM 0 HB THR A 115 -0.381 -2.766 14.077 1.00 0.67 H new ATOM 0 HG1 THR A 115 0.074 -2.352 11.289 1.00 1.38 H new ATOM 0 HG21 THR A 115 -1.664 -4.535 12.949 1.00 1.39 H new ATOM 0 HG22 THR A 115 -2.731 -3.273 13.611 1.00 1.39 H new ATOM 0 HG23 THR A 115 -2.385 -3.320 11.866 1.00 1.39 H new ATOM 1747 N HIS A 116 -3.240 -0.447 14.018 1.00 0.47 N ATOM 1748 CA HIS A 116 -4.115 -0.175 15.144 1.00 0.56 C ATOM 1749 C HIS A 116 -5.369 -1.036 15.034 1.00 0.56 C ATOM 1750 O HIS A 116 -6.337 -0.673 14.362 1.00 0.55 O ATOM 1751 CB HIS A 116 -4.486 1.312 15.165 1.00 0.66 C ATOM 1752 CG HIS A 116 -5.118 1.763 16.446 1.00 1.29 C ATOM 1753 ND1 HIS A 116 -4.410 2.388 17.453 1.00 1.88 N ATOM 1754 CD2 HIS A 116 -6.398 1.691 16.880 1.00 2.27 C ATOM 1755 CE1 HIS A 116 -5.229 2.675 18.447 1.00 2.63 C ATOM 1756 NE2 HIS A 116 -6.439 2.263 18.125 1.00 2.89 N ATOM 0 H HIS A 116 -3.699 -0.423 13.107 1.00 0.47 H new ATOM 0 HA HIS A 116 -3.601 -0.418 16.074 1.00 0.56 H new ATOM 0 HB2 HIS A 116 -3.587 1.903 14.987 1.00 0.66 H new ATOM 0 HB3 HIS A 116 -5.171 1.517 14.342 1.00 0.66 H new ATOM 0 HD2 HIS A 116 -7.232 1.262 16.345 1.00 2.27 H new ATOM 0 HE1 HIS A 116 -4.954 3.165 19.369 1.00 2.63 H new ATOM 0 HE2 HIS A 116 -7.271 2.355 18.708 1.00 2.89 H new ATOM 1765 N GLY A 117 -5.351 -2.162 15.728 1.00 0.64 N ATOM 1766 CA GLY A 117 -6.467 -3.083 15.699 1.00 0.71 C ATOM 1767 C GLY A 117 -6.564 -3.832 14.382 1.00 0.69 C ATOM 1768 O GLY A 117 -5.765 -4.730 14.102 1.00 0.74 O ATOM 0 H GLY A 117 -4.573 -2.457 16.318 1.00 0.64 H new ATOM 0 HA2 GLY A 117 -6.365 -3.799 16.515 1.00 0.71 H new ATOM 0 HA3 GLY A 117 -7.393 -2.534 15.871 1.00 0.71 H new ATOM 1772 N THR A 118 -7.538 -3.444 13.577 1.00 0.66 N ATOM 1773 CA THR A 118 -7.744 -4.032 12.265 1.00 0.69 C ATOM 1774 C THR A 118 -7.248 -3.078 11.181 1.00 0.56 C ATOM 1775 O THR A 118 -6.642 -3.497 10.197 1.00 0.57 O ATOM 1776 CB THR A 118 -9.229 -4.365 12.036 1.00 0.81 C ATOM 1777 OG1 THR A 118 -9.744 -5.074 13.174 1.00 1.60 O ATOM 1778 CG2 THR A 118 -9.413 -5.214 10.784 1.00 1.39 C ATOM 0 H THR A 118 -8.208 -2.713 13.815 1.00 0.66 H new ATOM 0 HA THR A 118 -7.175 -4.960 12.214 1.00 0.69 H new ATOM 0 HB THR A 118 -9.773 -3.430 11.902 1.00 0.81 H new ATOM 0 HG1 THR A 118 -10.690 -5.284 13.028 1.00 1.60 H new ATOM 0 HG21 THR A 118 -10.472 -5.435 10.646 1.00 1.39 H new ATOM 0 HG22 THR A 118 -9.040 -4.669 9.917 1.00 1.39 H new ATOM 0 HG23 THR A 118 -8.859 -6.147 10.892 1.00 1.39 H new ATOM 1786 N LYS A 119 -7.498 -1.789 11.381 1.00 0.50 N ATOM 1787 CA LYS A 119 -7.030 -0.762 10.464 1.00 0.41 C ATOM 1788 C LYS A 119 -5.526 -0.543 10.706 1.00 0.35 C ATOM 1789 O LYS A 119 -4.993 -0.884 11.765 1.00 0.40 O ATOM 1790 CB LYS A 119 -7.776 0.555 10.701 1.00 0.46 C ATOM 1791 CG LYS A 119 -9.290 0.467 10.552 1.00 0.98 C ATOM 1792 CD LYS A 119 -9.965 0.007 11.837 1.00 1.36 C ATOM 1793 CE LYS A 119 -9.694 0.972 12.979 1.00 1.79 C ATOM 1794 NZ LYS A 119 -10.384 0.567 14.233 1.00 2.49 N ATOM 0 H LYS A 119 -8.026 -1.431 12.177 1.00 0.50 H new ATOM 0 HA LYS A 119 -7.213 -1.084 9.439 1.00 0.41 H new ATOM 0 HB2 LYS A 119 -7.544 0.912 11.704 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -7.399 1.301 10.002 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -9.683 1.442 10.265 1.00 0.98 H new ATOM 0 HG3 LYS A 119 -9.535 -0.225 9.746 1.00 0.98 H new ATOM 0 HD2 LYS A 119 -11.040 -0.077 11.676 1.00 1.36 H new ATOM 0 HD3 LYS A 119 -9.605 -0.986 12.104 1.00 1.36 H new ATOM 0 HE2 LYS A 119 -8.620 1.027 13.159 1.00 1.79 H new ATOM 0 HE3 LYS A 119 -10.021 1.972 12.693 1.00 1.79 H new ATOM 0 HZ1 LYS A 119 -10.171 1.254 14.984 1.00 2.49 H new ATOM 0 HZ2 LYS A 119 -11.411 0.539 14.071 1.00 2.49 H new ATOM 0 HZ3 LYS A 119 -10.054 -0.376 14.522 1.00 2.49 H new ATOM 1808 N ASN A 120 -4.865 0.022 9.725 1.00 0.30 N ATOM 1809 CA ASN A 120 -3.429 0.224 9.729 1.00 0.28 C ATOM 1810 C ASN A 120 -3.091 1.362 8.763 1.00 0.28 C ATOM 1811 O ASN A 120 -3.776 1.539 7.758 1.00 0.32 O ATOM 1812 CB ASN A 120 -2.751 -1.082 9.288 1.00 0.36 C ATOM 1813 CG ASN A 120 -1.270 -0.946 9.010 1.00 1.26 C ATOM 1814 OD1 ASN A 120 -0.436 -1.226 9.865 1.00 2.08 O ATOM 1815 ND2 ASN A 120 -0.932 -0.521 7.803 1.00 2.07 N ATOM 0 H ASN A 120 -5.319 0.364 8.878 1.00 0.30 H new ATOM 0 HA ASN A 120 -3.074 0.490 10.725 1.00 0.28 H new ATOM 0 HB2 ASN A 120 -2.897 -1.834 10.063 1.00 0.36 H new ATOM 0 HB3 ASN A 120 -3.246 -1.450 8.390 1.00 0.36 H new ATOM 0 HD21 ASN A 120 0.052 -0.416 7.556 1.00 2.07 H new ATOM 0 HD22 ASN A 120 -1.656 -0.298 7.120 1.00 2.07 H new ATOM 1822 N TYR A 121 -2.033 2.109 9.057 1.00 0.31 N ATOM 1823 CA TYR A 121 -1.625 3.247 8.233 1.00 0.37 C ATOM 1824 C TYR A 121 -0.315 2.926 7.510 1.00 0.30 C ATOM 1825 O TYR A 121 0.414 2.029 7.940 1.00 0.34 O ATOM 1826 CB TYR A 121 -1.428 4.481 9.123 1.00 0.66 C ATOM 1827 CG TYR A 121 -2.591 4.775 10.049 1.00 1.06 C ATOM 1828 CD1 TYR A 121 -2.677 4.174 11.297 1.00 1.46 C ATOM 1829 CD2 TYR A 121 -3.606 5.647 9.671 1.00 1.41 C ATOM 1830 CE1 TYR A 121 -3.738 4.433 12.142 1.00 1.98 C ATOM 1831 CE2 TYR A 121 -4.669 5.912 10.512 1.00 2.01 C ATOM 1832 CZ TYR A 121 -4.720 5.327 11.750 1.00 2.23 C ATOM 1833 OH TYR A 121 -5.789 5.563 12.587 1.00 2.84 O ATOM 0 H TYR A 121 -1.435 1.947 9.867 1.00 0.31 H new ATOM 0 HA TYR A 121 -2.401 3.449 7.495 1.00 0.37 H new ATOM 0 HB2 TYR A 121 -0.528 4.342 9.722 1.00 0.66 H new ATOM 0 HB3 TYR A 121 -1.257 5.349 8.487 1.00 0.66 H new ATOM 0 HD1 TYR A 121 -1.901 3.492 11.613 1.00 1.46 H new ATOM 0 HD2 TYR A 121 -3.562 6.125 8.704 1.00 1.41 H new ATOM 0 HE1 TYR A 121 -3.801 3.942 13.102 1.00 1.98 H new ATOM 0 HE2 TYR A 121 -5.458 6.578 10.195 1.00 2.01 H new ATOM 0 HH TYR A 121 -6.392 6.215 12.172 1.00 2.84 H new ATOM 1843 N PHE A 122 0.007 3.645 6.425 1.00 0.30 N ATOM 1844 CA PHE A 122 1.271 3.437 5.749 1.00 0.29 C ATOM 1845 C PHE A 122 1.987 4.764 5.562 1.00 0.26 C ATOM 1846 O PHE A 122 1.678 5.513 4.648 1.00 0.32 O ATOM 1847 CB PHE A 122 1.076 2.785 4.379 1.00 0.34 C ATOM 1848 CG PHE A 122 0.322 1.485 4.389 1.00 1.05 C ATOM 1849 CD1 PHE A 122 0.974 0.294 4.659 1.00 1.45 C ATOM 1850 CD2 PHE A 122 -1.043 1.459 4.158 1.00 1.56 C ATOM 1851 CE1 PHE A 122 0.280 -0.900 4.693 1.00 2.18 C ATOM 1852 CE2 PHE A 122 -1.743 0.269 4.196 1.00 2.27 C ATOM 1853 CZ PHE A 122 -1.064 -0.922 4.355 1.00 2.54 C ATOM 0 H PHE A 122 -0.588 4.362 6.011 1.00 0.30 H new ATOM 0 HA PHE A 122 1.868 2.770 6.372 1.00 0.29 H new ATOM 0 HB2 PHE A 122 0.549 3.487 3.732 1.00 0.34 H new ATOM 0 HB3 PHE A 122 2.056 2.615 3.933 1.00 0.34 H new ATOM 0 HD1 PHE A 122 2.038 0.298 4.845 1.00 1.45 H new ATOM 0 HD2 PHE A 122 -1.566 2.380 3.946 1.00 1.56 H new ATOM 0 HE1 PHE A 122 0.782 -1.812 4.981 1.00 2.18 H new ATOM 0 HE2 PHE A 122 -2.819 0.270 4.102 1.00 2.27 H new ATOM 0 HZ PHE A 122 -1.576 -1.863 4.217 1.00 2.54 H new ATOM 1863 N THR A 123 2.950 5.052 6.404 1.00 0.22 N ATOM 1864 CA THR A 123 3.727 6.258 6.257 1.00 0.22 C ATOM 1865 C THR A 123 4.893 5.928 5.357 1.00 0.20 C ATOM 1866 O THR A 123 5.462 4.857 5.467 1.00 0.19 O ATOM 1867 CB THR A 123 4.248 6.723 7.627 1.00 0.24 C ATOM 1868 OG1 THR A 123 3.187 6.672 8.589 1.00 0.32 O ATOM 1869 CG2 THR A 123 4.803 8.137 7.555 1.00 0.33 C ATOM 0 H THR A 123 3.214 4.468 7.197 1.00 0.22 H new ATOM 0 HA THR A 123 3.118 7.058 5.835 1.00 0.22 H new ATOM 0 HB THR A 123 5.055 6.055 7.929 1.00 0.24 H new ATOM 0 HG1 THR A 123 2.451 7.248 8.295 1.00 0.32 H new ATOM 0 HG21 THR A 123 5.163 8.437 8.539 1.00 0.33 H new ATOM 0 HG22 THR A 123 5.627 8.169 6.842 1.00 0.33 H new ATOM 0 HG23 THR A 123 4.017 8.820 7.233 1.00 0.33 H new ATOM 1877 N SER A 124 5.234 6.790 4.433 1.00 0.21 N ATOM 1878 CA SER A 124 6.272 6.427 3.504 1.00 0.23 C ATOM 1879 C SER A 124 7.598 6.423 4.228 1.00 0.29 C ATOM 1880 O SER A 124 7.979 7.398 4.874 1.00 0.34 O ATOM 1881 CB SER A 124 6.286 7.369 2.312 1.00 0.26 C ATOM 1882 OG SER A 124 5.055 7.296 1.613 1.00 1.17 O ATOM 0 H SER A 124 4.825 7.716 4.305 1.00 0.21 H new ATOM 0 HA SER A 124 6.081 5.428 3.113 1.00 0.23 H new ATOM 0 HB2 SER A 124 6.460 8.391 2.649 1.00 0.26 H new ATOM 0 HB3 SER A 124 7.107 7.109 1.644 1.00 0.26 H new ATOM 0 HG SER A 124 5.112 6.605 0.921 1.00 1.17 H new ATOM 1888 N VAL A 125 8.286 5.299 4.129 1.00 0.33 N ATOM 1889 CA VAL A 125 9.476 5.059 4.914 1.00 0.43 C ATOM 1890 C VAL A 125 10.629 5.910 4.402 1.00 0.53 C ATOM 1891 O VAL A 125 11.564 6.220 5.142 1.00 0.65 O ATOM 1892 CB VAL A 125 9.825 3.544 4.900 1.00 0.48 C ATOM 1893 CG1 VAL A 125 11.293 3.283 5.214 1.00 0.81 C ATOM 1894 CG2 VAL A 125 8.950 2.814 5.897 1.00 0.47 C ATOM 0 H VAL A 125 8.034 4.533 3.504 1.00 0.33 H new ATOM 0 HA VAL A 125 9.291 5.349 5.948 1.00 0.43 H new ATOM 0 HB VAL A 125 9.639 3.174 3.892 1.00 0.48 H new ATOM 0 HG11 VAL A 125 11.485 2.210 5.192 1.00 0.81 H new ATOM 0 HG12 VAL A 125 11.918 3.779 4.471 1.00 0.81 H new ATOM 0 HG13 VAL A 125 11.528 3.673 6.204 1.00 0.81 H new ATOM 0 HG21 VAL A 125 9.195 1.752 5.887 1.00 0.47 H new ATOM 0 HG22 VAL A 125 9.122 3.217 6.895 1.00 0.47 H new ATOM 0 HG23 VAL A 125 7.902 2.947 5.628 1.00 0.47 H new ATOM 1904 N ALA A 126 10.537 6.334 3.151 1.00 0.53 N ATOM 1905 CA ALA A 126 11.514 7.271 2.617 1.00 0.63 C ATOM 1906 C ALA A 126 11.297 8.672 3.194 1.00 0.63 C ATOM 1907 O ALA A 126 12.238 9.316 3.664 1.00 0.72 O ATOM 1908 CB ALA A 126 11.431 7.310 1.101 1.00 0.68 C ATOM 0 H ALA A 126 9.809 6.050 2.496 1.00 0.53 H new ATOM 0 HA ALA A 126 12.508 6.931 2.908 1.00 0.63 H new ATOM 0 HB1 ALA A 126 12.167 8.015 0.714 1.00 0.68 H new ATOM 0 HB2 ALA A 126 11.634 6.317 0.700 1.00 0.68 H new ATOM 0 HB3 ALA A 126 10.432 7.626 0.799 1.00 0.68 H new ATOM 1914 N HIS A 127 10.048 9.139 3.159 1.00 0.56 N ATOM 1915 CA HIS A 127 9.669 10.420 3.723 1.00 0.58 C ATOM 1916 C HIS A 127 8.225 10.358 4.205 1.00 0.47 C ATOM 1917 O HIS A 127 7.314 10.186 3.401 1.00 0.44 O ATOM 1918 CB HIS A 127 9.826 11.551 2.701 1.00 0.72 C ATOM 1919 CG HIS A 127 11.116 12.309 2.820 1.00 1.15 C ATOM 1920 ND1 HIS A 127 11.333 13.268 3.786 1.00 1.70 N ATOM 1921 CD2 HIS A 127 12.258 12.246 2.098 1.00 1.99 C ATOM 1922 CE1 HIS A 127 12.547 13.764 3.650 1.00 2.29 C ATOM 1923 NE2 HIS A 127 13.131 13.159 2.635 1.00 2.47 N ATOM 0 H HIS A 127 9.272 8.631 2.735 1.00 0.56 H new ATOM 0 HA HIS A 127 10.332 10.631 4.562 1.00 0.58 H new ATOM 0 HB2 HIS A 127 9.754 11.132 1.697 1.00 0.72 H new ATOM 0 HB3 HIS A 127 8.996 12.248 2.816 1.00 0.72 H new ATOM 0 HD2 HIS A 127 12.448 11.598 1.255 1.00 1.99 H new ATOM 0 HE1 HIS A 127 12.988 14.534 4.265 1.00 2.29 H new ATOM 0 HE2 HIS A 127 14.078 13.340 2.302 1.00 2.47 H new ATOM 1932 N PRO A 128 8.016 10.462 5.519 1.00 0.47 N ATOM 1933 CA PRO A 128 6.699 10.644 6.150 1.00 0.43 C ATOM 1934 C PRO A 128 5.726 11.550 5.400 1.00 0.40 C ATOM 1935 O PRO A 128 4.524 11.311 5.423 1.00 0.39 O ATOM 1936 CB PRO A 128 7.085 11.312 7.432 1.00 0.53 C ATOM 1937 CG PRO A 128 8.313 10.592 7.842 1.00 0.79 C ATOM 1938 CD PRO A 128 9.074 10.374 6.555 1.00 0.60 C ATOM 0 HA PRO A 128 6.166 9.696 6.215 1.00 0.43 H new ATOM 0 HB2 PRO A 128 7.273 12.376 7.289 1.00 0.53 H new ATOM 0 HB3 PRO A 128 6.299 11.225 8.182 1.00 0.53 H new ATOM 0 HG2 PRO A 128 8.896 11.176 8.553 1.00 0.79 H new ATOM 0 HG3 PRO A 128 8.074 9.645 8.327 1.00 0.79 H new ATOM 0 HD2 PRO A 128 9.845 11.131 6.409 1.00 0.60 H new ATOM 0 HD3 PRO A 128 9.572 9.405 6.541 1.00 0.60 H new ATOM 1946 N ASN A 129 6.231 12.642 4.817 1.00 0.44 N ATOM 1947 CA ASN A 129 5.366 13.644 4.195 1.00 0.47 C ATOM 1948 C ASN A 129 4.662 13.074 2.977 1.00 0.39 C ATOM 1949 O ASN A 129 3.823 13.713 2.352 1.00 0.44 O ATOM 1950 CB ASN A 129 6.154 14.885 3.809 1.00 0.57 C ATOM 1951 CG ASN A 129 6.567 15.709 5.012 1.00 1.07 C ATOM 1952 OD1 ASN A 129 7.679 15.578 5.527 1.00 1.84 O ATOM 1953 ND2 ASN A 129 5.663 16.549 5.486 1.00 1.44 N ATOM 0 H ASN A 129 7.228 12.852 4.764 1.00 0.44 H new ATOM 0 HA ASN A 129 4.613 13.928 4.930 1.00 0.47 H new ATOM 0 HB2 ASN A 129 7.044 14.588 3.254 1.00 0.57 H new ATOM 0 HB3 ASN A 129 5.552 15.500 3.141 1.00 0.57 H new ATOM 0 HD21 ASN A 129 5.875 17.117 6.306 1.00 1.44 H new ATOM 0 HD22 ASN A 129 4.753 16.629 5.032 1.00 1.44 H new ATOM 1960 N LEU A 130 5.067 11.891 2.625 1.00 0.32 N ATOM 1961 CA LEU A 130 4.296 11.022 1.784 1.00 0.26 C ATOM 1962 C LEU A 130 3.560 10.073 2.729 1.00 0.24 C ATOM 1963 O LEU A 130 4.182 9.444 3.587 1.00 0.26 O ATOM 1964 CB LEU A 130 5.230 10.205 0.870 1.00 0.30 C ATOM 1965 CG LEU A 130 6.083 10.960 -0.172 1.00 0.58 C ATOM 1966 CD1 LEU A 130 6.866 12.124 0.429 1.00 1.38 C ATOM 1967 CD2 LEU A 130 7.054 9.986 -0.821 1.00 1.28 C ATOM 0 H LEU A 130 5.959 11.494 2.919 1.00 0.32 H new ATOM 0 HA LEU A 130 3.611 11.586 1.151 1.00 0.26 H new ATOM 0 HB2 LEU A 130 5.909 9.641 1.509 1.00 0.30 H new ATOM 0 HB3 LEU A 130 4.618 9.479 0.335 1.00 0.30 H new ATOM 0 HG LEU A 130 5.397 11.380 -0.907 1.00 0.58 H new ATOM 0 HD11 LEU A 130 7.446 12.615 -0.353 1.00 1.38 H new ATOM 0 HD12 LEU A 130 6.172 12.840 0.870 1.00 1.38 H new ATOM 0 HD13 LEU A 130 7.540 11.750 1.200 1.00 1.38 H new ATOM 0 HD21 LEU A 130 7.660 10.513 -1.558 1.00 1.28 H new ATOM 0 HD22 LEU A 130 7.703 9.557 -0.058 1.00 1.28 H new ATOM 0 HD23 LEU A 130 6.496 9.189 -1.313 1.00 1.28 H new ATOM 1979 N PHE A 131 2.279 9.895 2.544 1.00 0.23 N ATOM 1980 CA PHE A 131 1.516 9.015 3.419 1.00 0.27 C ATOM 1981 C PHE A 131 0.361 8.423 2.625 1.00 0.26 C ATOM 1982 O PHE A 131 -0.319 9.131 1.885 1.00 0.26 O ATOM 1983 CB PHE A 131 1.022 9.805 4.647 1.00 0.42 C ATOM 1984 CG PHE A 131 0.713 8.997 5.880 1.00 0.36 C ATOM 1985 CD1 PHE A 131 0.055 7.784 5.810 1.00 0.63 C ATOM 1986 CD2 PHE A 131 1.074 9.485 7.126 1.00 0.65 C ATOM 1987 CE1 PHE A 131 -0.233 7.068 6.957 1.00 0.97 C ATOM 1988 CE2 PHE A 131 0.789 8.775 8.275 1.00 0.96 C ATOM 1989 CZ PHE A 131 0.134 7.565 8.190 1.00 1.05 C ATOM 0 H PHE A 131 1.736 10.339 1.804 1.00 0.23 H new ATOM 0 HA PHE A 131 2.139 8.199 3.784 1.00 0.27 H new ATOM 0 HB2 PHE A 131 1.779 10.546 4.904 1.00 0.42 H new ATOM 0 HB3 PHE A 131 0.123 10.353 4.363 1.00 0.42 H new ATOM 0 HD1 PHE A 131 -0.238 7.391 4.848 1.00 0.63 H new ATOM 0 HD2 PHE A 131 1.585 10.434 7.199 1.00 0.65 H new ATOM 0 HE1 PHE A 131 -0.745 6.120 6.888 1.00 0.97 H new ATOM 0 HE2 PHE A 131 1.079 9.167 9.239 1.00 0.96 H new ATOM 0 HZ PHE A 131 -0.091 7.007 9.087 1.00 1.05 H new ATOM 1999 N ILE A 132 0.116 7.149 2.829 1.00 0.28 N ATOM 2000 CA ILE A 132 -0.739 6.375 1.968 1.00 0.27 C ATOM 2001 C ILE A 132 -2.177 6.479 2.432 1.00 0.25 C ATOM 2002 O ILE A 132 -2.600 5.830 3.384 1.00 0.32 O ATOM 2003 CB ILE A 132 -0.258 4.909 1.952 1.00 0.34 C ATOM 2004 CG1 ILE A 132 1.150 4.844 1.355 1.00 0.87 C ATOM 2005 CG2 ILE A 132 -1.220 4.018 1.175 1.00 0.80 C ATOM 2006 CD1 ILE A 132 1.251 5.384 -0.055 1.00 1.39 C ATOM 0 H ILE A 132 0.510 6.618 3.606 1.00 0.28 H new ATOM 0 HA ILE A 132 -0.689 6.766 0.952 1.00 0.27 H new ATOM 0 HB ILE A 132 -0.231 4.537 2.976 1.00 0.34 H new ATOM 0 HG12 ILE A 132 1.831 5.404 1.996 1.00 0.87 H new ATOM 0 HG13 ILE A 132 1.487 3.808 1.360 1.00 0.87 H new ATOM 0 HG21 ILE A 132 -0.852 2.992 1.183 1.00 0.80 H new ATOM 0 HG22 ILE A 132 -2.205 4.054 1.640 1.00 0.80 H new ATOM 0 HG23 ILE A 132 -1.291 4.370 0.146 1.00 0.80 H new ATOM 0 HD11 ILE A 132 2.281 5.301 -0.403 1.00 1.39 H new ATOM 0 HD12 ILE A 132 0.598 4.809 -0.712 1.00 1.39 H new ATOM 0 HD13 ILE A 132 0.947 6.431 -0.066 1.00 1.39 H new ATOM 2018 N ALA A 133 -2.895 7.325 1.728 1.00 0.22 N ATOM 2019 CA ALA A 133 -4.261 7.693 2.060 1.00 0.23 C ATOM 2020 C ALA A 133 -5.289 6.864 1.326 1.00 0.23 C ATOM 2021 O ALA A 133 -5.025 6.362 0.247 1.00 0.26 O ATOM 2022 CB ALA A 133 -4.468 9.149 1.727 1.00 0.25 C ATOM 0 H ALA A 133 -2.542 7.788 0.891 1.00 0.22 H new ATOM 0 HA ALA A 133 -4.400 7.507 3.125 1.00 0.23 H new ATOM 0 HB1 ALA A 133 -5.490 9.437 1.972 1.00 0.25 H new ATOM 0 HB2 ALA A 133 -3.772 9.757 2.305 1.00 0.25 H new ATOM 0 HB3 ALA A 133 -4.292 9.308 0.663 1.00 0.25 H new ATOM 2028 N THR A 134 -6.468 6.750 1.907 1.00 0.23 N ATOM 2029 CA THR A 134 -7.591 6.142 1.241 1.00 0.25 C ATOM 2030 C THR A 134 -8.795 7.063 1.319 1.00 0.26 C ATOM 2031 O THR A 134 -9.096 7.674 2.349 1.00 0.31 O ATOM 2032 CB THR A 134 -7.916 4.751 1.767 1.00 0.31 C ATOM 2033 OG1 THR A 134 -7.785 4.768 3.158 1.00 0.96 O ATOM 2034 CG2 THR A 134 -6.989 3.704 1.162 1.00 1.01 C ATOM 0 H THR A 134 -6.668 7.077 2.852 1.00 0.23 H new ATOM 0 HA THR A 134 -7.315 6.002 0.196 1.00 0.25 H new ATOM 0 HB THR A 134 -8.935 4.485 1.486 1.00 0.31 H new ATOM 0 HG1 THR A 134 -7.943 5.676 3.490 1.00 0.96 H new ATOM 0 HG21 THR A 134 -7.245 2.720 1.556 1.00 1.01 H new ATOM 0 HG22 THR A 134 -7.102 3.701 0.078 1.00 1.01 H new ATOM 0 HG23 THR A 134 -5.956 3.940 1.419 1.00 1.01 H new ATOM 2042 N LYS A 135 -9.383 7.219 0.185 1.00 0.28 N ATOM 2043 CA LYS A 135 -10.510 8.116 -0.026 1.00 0.31 C ATOM 2044 C LYS A 135 -11.760 7.281 -0.305 1.00 0.40 C ATOM 2045 O LYS A 135 -11.670 6.246 -0.961 1.00 0.47 O ATOM 2046 CB LYS A 135 -10.215 9.048 -1.214 1.00 0.35 C ATOM 2047 CG LYS A 135 -9.977 10.522 -0.861 1.00 0.69 C ATOM 2048 CD LYS A 135 -8.571 10.809 -0.330 1.00 0.76 C ATOM 2049 CE LYS A 135 -8.253 12.309 -0.408 1.00 0.89 C ATOM 2050 NZ LYS A 135 -6.946 12.672 0.230 1.00 0.63 N ATOM 0 H LYS A 135 -9.099 6.720 -0.658 1.00 0.28 H new ATOM 0 HA LYS A 135 -10.673 8.726 0.862 1.00 0.31 H new ATOM 0 HB2 LYS A 135 -9.336 8.672 -1.737 1.00 0.35 H new ATOM 0 HB3 LYS A 135 -11.050 8.991 -1.913 1.00 0.35 H new ATOM 0 HG2 LYS A 135 -10.152 11.131 -1.748 1.00 0.69 H new ATOM 0 HG3 LYS A 135 -10.708 10.830 -0.113 1.00 0.69 H new ATOM 0 HD2 LYS A 135 -8.491 10.469 0.703 1.00 0.76 H new ATOM 0 HD3 LYS A 135 -7.838 10.247 -0.908 1.00 0.76 H new ATOM 0 HE2 LYS A 135 -8.237 12.616 -1.454 1.00 0.89 H new ATOM 0 HE3 LYS A 135 -9.053 12.869 0.076 1.00 0.89 H new ATOM 0 HZ1 LYS A 135 -7.070 13.521 0.818 1.00 0.63 H new ATOM 0 HZ2 LYS A 135 -6.619 11.884 0.825 1.00 0.63 H new ATOM 0 HZ3 LYS A 135 -6.240 12.863 -0.509 1.00 0.63 H new ATOM 2064 N GLN A 136 -12.917 7.746 0.154 1.00 0.49 N ATOM 2065 CA GLN A 136 -14.176 7.013 -0.032 1.00 0.63 C ATOM 2066 C GLN A 136 -14.785 7.260 -1.396 1.00 0.58 C ATOM 2067 O GLN A 136 -15.514 6.427 -1.939 1.00 0.69 O ATOM 2068 CB GLN A 136 -15.175 7.385 1.069 1.00 0.82 C ATOM 2069 CG GLN A 136 -16.494 6.635 0.978 1.00 1.05 C ATOM 2070 CD GLN A 136 -17.221 6.569 2.306 1.00 1.14 C ATOM 2071 OE1 GLN A 136 -18.450 6.561 2.355 1.00 1.75 O ATOM 2072 NE2 GLN A 136 -16.463 6.492 3.391 1.00 1.20 N ATOM 0 H GLN A 136 -13.015 8.627 0.659 1.00 0.49 H new ATOM 0 HA GLN A 136 -13.945 5.950 0.034 1.00 0.63 H new ATOM 0 HB2 GLN A 136 -14.721 7.188 2.040 1.00 0.82 H new ATOM 0 HB3 GLN A 136 -15.372 8.456 1.021 1.00 0.82 H new ATOM 0 HG2 GLN A 136 -17.134 7.121 0.242 1.00 1.05 H new ATOM 0 HG3 GLN A 136 -16.308 5.623 0.619 1.00 1.05 H new ATOM 0 HE21 GLN A 136 -15.447 6.502 3.305 1.00 1.20 H new ATOM 0 HE22 GLN A 136 -16.896 6.423 4.312 1.00 1.20 H new ATOM 2081 N ASP A 137 -14.504 8.416 -1.932 1.00 0.48 N ATOM 2082 CA ASP A 137 -15.108 8.812 -3.199 1.00 0.52 C ATOM 2083 C ASP A 137 -14.069 9.274 -4.206 1.00 0.47 C ATOM 2084 O ASP A 137 -14.251 9.117 -5.416 1.00 0.56 O ATOM 2085 CB ASP A 137 -16.146 9.908 -2.977 1.00 0.63 C ATOM 2086 CG ASP A 137 -16.949 10.198 -4.227 1.00 1.34 C ATOM 2087 OD1 ASP A 137 -17.641 9.287 -4.724 1.00 1.43 O ATOM 2088 OD2 ASP A 137 -16.881 11.338 -4.731 1.00 2.21 O ATOM 0 H ASP A 137 -13.869 9.102 -1.525 1.00 0.48 H new ATOM 0 HA ASP A 137 -15.599 7.930 -3.611 1.00 0.52 H new ATOM 0 HB2 ASP A 137 -16.821 9.609 -2.175 1.00 0.63 H new ATOM 0 HB3 ASP A 137 -15.645 10.819 -2.650 1.00 0.63 H new ATOM 2093 N TYR A 138 -12.986 9.842 -3.711 1.00 0.39 N ATOM 2094 CA TYR A 138 -11.958 10.388 -4.576 1.00 0.38 C ATOM 2095 C TYR A 138 -10.860 9.359 -4.780 1.00 0.32 C ATOM 2096 O TYR A 138 -10.935 8.254 -4.239 1.00 0.31 O ATOM 2097 CB TYR A 138 -11.394 11.682 -3.982 1.00 0.44 C ATOM 2098 CG TYR A 138 -11.362 12.828 -4.967 1.00 0.82 C ATOM 2099 CD1 TYR A 138 -12.532 13.387 -5.462 1.00 0.99 C ATOM 2100 CD2 TYR A 138 -10.151 13.362 -5.388 1.00 1.41 C ATOM 2101 CE1 TYR A 138 -12.494 14.447 -6.349 1.00 1.45 C ATOM 2102 CE2 TYR A 138 -10.106 14.417 -6.275 1.00 1.98 C ATOM 2103 CZ TYR A 138 -11.323 14.915 -6.801 1.00 1.94 C ATOM 2104 OH TYR A 138 -11.236 16.019 -7.627 1.00 2.50 O ATOM 0 H TYR A 138 -12.795 9.937 -2.714 1.00 0.39 H new ATOM 0 HA TYR A 138 -12.394 10.627 -5.546 1.00 0.38 H new ATOM 0 HB2 TYR A 138 -11.995 11.970 -3.120 1.00 0.44 H new ATOM 0 HB3 TYR A 138 -10.383 11.496 -3.618 1.00 0.44 H new ATOM 0 HD1 TYR A 138 -13.486 12.988 -5.150 1.00 0.99 H new ATOM 0 HD2 TYR A 138 -9.228 12.944 -5.014 1.00 1.41 H new ATOM 0 HE1 TYR A 138 -13.416 14.901 -6.680 1.00 1.45 H new ATOM 0 HE2 TYR A 138 -9.162 14.855 -6.563 1.00 1.98 H new ATOM 0 HH TYR A 138 -10.296 16.195 -7.840 1.00 2.50 H new ATOM 2114 N TRP A 139 -9.844 9.710 -5.549 1.00 0.34 N ATOM 2115 CA TRP A 139 -8.735 8.803 -5.769 1.00 0.33 C ATOM 2116 C TRP A 139 -7.862 8.690 -4.522 1.00 0.30 C ATOM 2117 O TRP A 139 -7.874 9.557 -3.645 1.00 0.32 O ATOM 2118 CB TRP A 139 -7.899 9.225 -6.988 1.00 0.40 C ATOM 2119 CG TRP A 139 -7.543 10.683 -7.045 1.00 1.19 C ATOM 2120 CD1 TRP A 139 -6.798 11.395 -6.148 1.00 2.40 C ATOM 2121 CD2 TRP A 139 -7.900 11.598 -8.087 1.00 1.47 C ATOM 2122 NE1 TRP A 139 -6.677 12.699 -6.567 1.00 3.09 N ATOM 2123 CE2 TRP A 139 -7.347 12.849 -7.755 1.00 2.48 C ATOM 2124 CE3 TRP A 139 -8.639 11.480 -9.267 1.00 1.75 C ATOM 2125 CZ2 TRP A 139 -7.506 13.971 -8.562 1.00 2.99 C ATOM 2126 CZ3 TRP A 139 -8.799 12.595 -10.068 1.00 2.37 C ATOM 2127 CH2 TRP A 139 -8.234 13.826 -9.712 1.00 2.74 C ATOM 0 H TRP A 139 -9.765 10.608 -6.027 1.00 0.34 H new ATOM 0 HA TRP A 139 -9.153 7.818 -5.978 1.00 0.33 H new ATOM 0 HB2 TRP A 139 -6.978 8.642 -6.996 1.00 0.40 H new ATOM 0 HB3 TRP A 139 -8.449 8.966 -7.893 1.00 0.40 H new ATOM 0 HD1 TRP A 139 -6.367 10.993 -5.243 1.00 2.40 H new ATOM 0 HE1 TRP A 139 -6.171 13.435 -6.075 1.00 3.09 H new ATOM 0 HE3 TRP A 139 -9.078 10.534 -9.548 1.00 1.75 H new ATOM 0 HZ2 TRP A 139 -7.071 14.922 -8.291 1.00 2.99 H new ATOM 0 HZ3 TRP A 139 -9.368 12.516 -10.982 1.00 2.37 H new ATOM 0 HH2 TRP A 139 -8.376 14.679 -10.359 1.00 2.74 H new ATOM 2138 N VAL A 140 -7.120 7.600 -4.461 1.00 0.30 N ATOM 2139 CA VAL A 140 -6.231 7.301 -3.350 1.00 0.33 C ATOM 2140 C VAL A 140 -5.044 8.254 -3.362 1.00 0.30 C ATOM 2141 O VAL A 140 -4.148 8.136 -4.196 1.00 0.32 O ATOM 2142 CB VAL A 140 -5.751 5.837 -3.468 1.00 0.44 C ATOM 2143 CG1 VAL A 140 -4.672 5.506 -2.453 1.00 1.58 C ATOM 2144 CG2 VAL A 140 -6.932 4.893 -3.319 1.00 1.28 C ATOM 0 H VAL A 140 -7.117 6.887 -5.190 1.00 0.30 H new ATOM 0 HA VAL A 140 -6.763 7.430 -2.407 1.00 0.33 H new ATOM 0 HB VAL A 140 -5.309 5.710 -4.456 1.00 0.44 H new ATOM 0 HG11 VAL A 140 -4.366 4.467 -2.573 1.00 1.58 H new ATOM 0 HG12 VAL A 140 -3.813 6.158 -2.610 1.00 1.58 H new ATOM 0 HG13 VAL A 140 -5.062 5.655 -1.446 1.00 1.58 H new ATOM 0 HG21 VAL A 140 -6.587 3.862 -3.403 1.00 1.28 H new ATOM 0 HG22 VAL A 140 -7.396 5.042 -2.344 1.00 1.28 H new ATOM 0 HG23 VAL A 140 -7.662 5.096 -4.103 1.00 1.28 H new ATOM 2154 N CYS A 141 -5.048 9.218 -2.447 1.00 0.30 N ATOM 2155 CA CYS A 141 -4.048 10.268 -2.483 1.00 0.26 C ATOM 2156 C CYS A 141 -2.967 10.056 -1.416 1.00 0.25 C ATOM 2157 O CYS A 141 -2.799 8.961 -0.880 1.00 0.29 O ATOM 2158 CB CYS A 141 -4.752 11.624 -2.287 1.00 0.33 C ATOM 2159 SG CYS A 141 -3.775 13.075 -2.754 1.00 1.21 S ATOM 0 H CYS A 141 -5.722 9.291 -1.685 1.00 0.30 H new ATOM 0 HA CYS A 141 -3.545 10.247 -3.450 1.00 0.26 H new ATOM 0 HB2 CYS A 141 -5.674 11.624 -2.869 1.00 0.33 H new ATOM 0 HB3 CYS A 141 -5.036 11.719 -1.239 1.00 0.33 H new ATOM 0 HG CYS A 141 -4.081 14.072 -1.978 1.00 1.21 H new ATOM 2165 N LEU A 142 -2.252 11.128 -1.128 1.00 0.21 N ATOM 2166 CA LEU A 142 -1.108 11.132 -0.252 1.00 0.23 C ATOM 2167 C LEU A 142 -1.161 12.406 0.586 1.00 0.24 C ATOM 2168 O LEU A 142 -1.879 13.341 0.234 1.00 0.23 O ATOM 2169 CB LEU A 142 0.113 11.042 -1.183 1.00 0.21 C ATOM 2170 CG LEU A 142 1.445 10.626 -0.590 1.00 0.22 C ATOM 2171 CD1 LEU A 142 1.512 9.117 -0.423 1.00 0.23 C ATOM 2172 CD2 LEU A 142 2.580 11.097 -1.481 1.00 0.25 C ATOM 0 H LEU A 142 -2.464 12.048 -1.514 1.00 0.21 H new ATOM 0 HA LEU A 142 -1.071 10.305 0.458 1.00 0.23 H new ATOM 0 HB2 LEU A 142 -0.129 10.339 -1.980 1.00 0.21 H new ATOM 0 HB3 LEU A 142 0.248 12.018 -1.649 1.00 0.21 H new ATOM 0 HG LEU A 142 1.543 11.088 0.392 1.00 0.22 H new ATOM 0 HD11 LEU A 142 2.476 8.841 0.004 1.00 0.23 H new ATOM 0 HD12 LEU A 142 0.713 8.789 0.242 1.00 0.23 H new ATOM 0 HD13 LEU A 142 1.395 8.638 -1.395 1.00 0.23 H new ATOM 0 HD21 LEU A 142 3.533 10.794 -1.047 1.00 0.25 H new ATOM 0 HD22 LEU A 142 2.474 10.653 -2.471 1.00 0.25 H new ATOM 0 HD23 LEU A 142 2.549 12.183 -1.566 1.00 0.25 H new ATOM 2184 N ALA A 143 -0.471 12.423 1.708 1.00 0.34 N ATOM 2185 CA ALA A 143 -0.258 13.656 2.459 1.00 0.33 C ATOM 2186 C ALA A 143 0.915 13.468 3.403 1.00 0.60 C ATOM 2187 O ALA A 143 1.365 12.359 3.599 1.00 0.91 O ATOM 2188 CB ALA A 143 -1.510 14.030 3.239 1.00 0.38 C ATOM 0 H ALA A 143 -0.044 11.596 2.126 1.00 0.34 H new ATOM 0 HA ALA A 143 -0.039 14.466 1.764 1.00 0.33 H new ATOM 0 HB1 ALA A 143 -1.332 14.952 3.793 1.00 0.38 H new ATOM 0 HB2 ALA A 143 -2.339 14.177 2.547 1.00 0.38 H new ATOM 0 HB3 ALA A 143 -1.757 13.230 3.937 1.00 0.38 H new ATOM 2194 N GLY A 144 1.444 14.546 3.959 1.00 0.63 N ATOM 2195 CA GLY A 144 2.537 14.392 4.911 1.00 0.93 C ATOM 2196 C GLY A 144 2.025 14.313 6.317 1.00 0.93 C ATOM 2197 O GLY A 144 2.679 14.705 7.281 1.00 1.13 O ATOM 0 H GLY A 144 1.149 15.506 3.778 1.00 0.63 H new ATOM 0 HA2 GLY A 144 3.103 13.490 4.676 1.00 0.93 H new ATOM 0 HA3 GLY A 144 3.224 15.233 4.818 1.00 0.93 H new ATOM 2201 N GLY A 145 0.840 13.788 6.389 1.00 0.94 N ATOM 2202 CA GLY A 145 0.180 13.464 7.615 1.00 1.38 C ATOM 2203 C GLY A 145 -1.074 12.786 7.201 1.00 1.61 C ATOM 2204 O GLY A 145 -1.171 12.395 6.036 1.00 1.48 O ATOM 0 H GLY A 145 0.285 13.565 5.562 1.00 0.94 H new ATOM 0 HA2 GLY A 145 0.796 12.813 8.236 1.00 1.38 H new ATOM 0 HA3 GLY A 145 -0.029 14.359 8.201 1.00 1.38 H new ATOM 2208 N PRO A 146 -2.068 12.606 8.041 1.00 2.13 N ATOM 2209 CA PRO A 146 -3.374 12.465 7.499 1.00 2.27 C ATOM 2210 C PRO A 146 -4.327 13.596 7.877 1.00 1.59 C ATOM 2211 O PRO A 146 -4.483 13.950 9.043 1.00 2.15 O ATOM 2212 CB PRO A 146 -3.798 11.174 8.207 1.00 3.57 C ATOM 2213 CG PRO A 146 -3.075 11.195 9.539 1.00 3.98 C ATOM 2214 CD PRO A 146 -2.027 12.290 9.460 1.00 2.93 C ATOM 0 HA PRO A 146 -3.392 12.467 6.409 1.00 2.27 H new ATOM 0 HB2 PRO A 146 -4.878 11.138 8.346 1.00 3.57 H new ATOM 0 HB3 PRO A 146 -3.522 10.296 7.623 1.00 3.57 H new ATOM 0 HG2 PRO A 146 -3.773 11.388 10.353 1.00 3.98 H new ATOM 0 HG3 PRO A 146 -2.610 10.230 9.740 1.00 3.98 H new ATOM 0 HD2 PRO A 146 -2.279 13.149 10.082 1.00 2.93 H new ATOM 0 HD3 PRO A 146 -1.043 11.944 9.778 1.00 2.93 H new ATOM 2222 N PRO A 147 -4.984 14.175 6.873 1.00 1.33 N ATOM 2223 CA PRO A 147 -6.385 14.481 6.941 1.00 1.05 C ATOM 2224 C PRO A 147 -7.104 13.565 5.961 1.00 0.70 C ATOM 2225 O PRO A 147 -8.329 13.543 5.863 1.00 0.86 O ATOM 2226 CB PRO A 147 -6.405 15.925 6.447 1.00 1.57 C ATOM 2227 CG PRO A 147 -5.264 16.014 5.466 1.00 2.12 C ATOM 2228 CD PRO A 147 -4.369 14.810 5.697 1.00 2.10 C ATOM 0 HA PRO A 147 -6.856 14.355 7.916 1.00 1.05 H new ATOM 0 HB2 PRO A 147 -7.355 16.167 5.971 1.00 1.57 H new ATOM 0 HB3 PRO A 147 -6.274 16.626 7.271 1.00 1.57 H new ATOM 0 HG2 PRO A 147 -5.638 16.023 4.442 1.00 2.12 H new ATOM 0 HG3 PRO A 147 -4.706 16.939 5.609 1.00 2.12 H new ATOM 0 HD2 PRO A 147 -4.357 14.142 4.835 1.00 2.10 H new ATOM 0 HD3 PRO A 147 -3.337 15.103 5.888 1.00 2.10 H new ATOM 2236 N SER A 148 -6.283 12.801 5.238 1.00 0.49 N ATOM 2237 CA SER A 148 -6.711 11.679 4.470 1.00 0.43 C ATOM 2238 C SER A 148 -6.863 10.482 5.379 1.00 0.37 C ATOM 2239 O SER A 148 -6.110 10.338 6.342 1.00 0.37 O ATOM 2240 CB SER A 148 -5.701 11.405 3.378 1.00 0.57 C ATOM 2241 OG SER A 148 -5.560 12.521 2.521 1.00 0.64 O ATOM 0 H SER A 148 -5.278 12.968 5.183 1.00 0.49 H new ATOM 0 HA SER A 148 -7.675 11.886 4.005 1.00 0.43 H new ATOM 0 HB2 SER A 148 -4.737 11.161 3.824 1.00 0.57 H new ATOM 0 HB3 SER A 148 -6.014 10.536 2.799 1.00 0.57 H new ATOM 0 HG SER A 148 -6.332 13.116 2.629 1.00 0.64 H new ATOM 2247 N ILE A 149 -7.822 9.639 5.102 1.00 0.37 N ATOM 2248 CA ILE A 149 -7.980 8.434 5.872 1.00 0.32 C ATOM 2249 C ILE A 149 -7.017 7.418 5.345 1.00 0.26 C ATOM 2250 O ILE A 149 -7.275 6.789 4.361 1.00 0.29 O ATOM 2251 CB ILE A 149 -9.410 7.911 5.814 1.00 0.35 C ATOM 2252 CG1 ILE A 149 -10.363 9.006 6.300 1.00 0.57 C ATOM 2253 CG2 ILE A 149 -9.555 6.649 6.660 1.00 0.56 C ATOM 2254 CD1 ILE A 149 -10.119 9.447 7.731 1.00 1.21 C ATOM 0 H ILE A 149 -8.503 9.763 4.353 1.00 0.37 H new ATOM 0 HA ILE A 149 -7.771 8.644 6.921 1.00 0.32 H new ATOM 0 HB ILE A 149 -9.660 7.649 4.786 1.00 0.35 H new ATOM 0 HG12 ILE A 149 -10.271 9.871 5.643 1.00 0.57 H new ATOM 0 HG13 ILE A 149 -11.388 8.647 6.211 1.00 0.57 H new ATOM 0 HG21 ILE A 149 -10.583 6.291 6.606 1.00 0.56 H new ATOM 0 HG22 ILE A 149 -8.882 5.879 6.283 1.00 0.56 H new ATOM 0 HG23 ILE A 149 -9.304 6.875 7.696 1.00 0.56 H new ATOM 0 HD11 ILE A 149 -10.835 10.224 7.999 1.00 1.21 H new ATOM 0 HD12 ILE A 149 -10.241 8.595 8.400 1.00 1.21 H new ATOM 0 HD13 ILE A 149 -9.106 9.839 7.823 1.00 1.21 H new ATOM 2266 N THR A 150 -5.879 7.330 5.976 1.00 0.24 N ATOM 2267 CA THR A 150 -4.780 6.537 5.489 1.00 0.25 C ATOM 2268 C THR A 150 -4.908 5.159 6.079 1.00 0.26 C ATOM 2269 O THR A 150 -3.945 4.528 6.473 1.00 0.34 O ATOM 2270 CB THR A 150 -3.434 7.186 5.905 1.00 0.28 C ATOM 2271 OG1 THR A 150 -3.470 7.547 7.293 1.00 0.53 O ATOM 2272 CG2 THR A 150 -3.159 8.441 5.088 1.00 0.69 C ATOM 0 H THR A 150 -5.684 7.812 6.854 1.00 0.24 H new ATOM 0 HA THR A 150 -4.801 6.479 4.401 1.00 0.25 H new ATOM 0 HB THR A 150 -2.644 6.457 5.725 1.00 0.28 H new ATOM 0 HG1 THR A 150 -2.560 7.535 7.658 1.00 0.53 H new ATOM 0 HG21 THR A 150 -2.210 8.877 5.399 1.00 0.69 H new ATOM 0 HG22 THR A 150 -3.111 8.183 4.030 1.00 0.69 H new ATOM 0 HG23 THR A 150 -3.960 9.163 5.249 1.00 0.69 H new ATOM 2280 N ASP A 151 -6.130 4.712 6.157 1.00 0.25 N ATOM 2281 CA ASP A 151 -6.423 3.462 6.766 1.00 0.25 C ATOM 2282 C ASP A 151 -6.512 2.339 5.760 1.00 0.26 C ATOM 2283 O ASP A 151 -6.785 2.521 4.587 1.00 0.27 O ATOM 2284 CB ASP A 151 -7.665 3.572 7.615 1.00 0.29 C ATOM 2285 CG ASP A 151 -7.376 4.104 9.008 1.00 0.79 C ATOM 2286 OD1 ASP A 151 -6.887 3.330 9.855 1.00 1.25 O ATOM 2287 OD2 ASP A 151 -7.661 5.292 9.269 1.00 1.07 O ATOM 0 H ASP A 151 -6.945 5.210 5.798 1.00 0.25 H new ATOM 0 HA ASP A 151 -5.591 3.205 7.421 1.00 0.25 H new ATOM 0 HB2 ASP A 151 -8.381 4.229 7.121 1.00 0.29 H new ATOM 0 HB3 ASP A 151 -8.134 2.591 7.695 1.00 0.29 H new ATOM 2292 N PHE A 152 -6.165 1.200 6.227 1.00 0.27 N ATOM 2293 CA PHE A 152 -6.519 -0.041 5.609 1.00 0.27 C ATOM 2294 C PHE A 152 -6.895 -1.021 6.703 1.00 0.28 C ATOM 2295 O PHE A 152 -6.642 -0.769 7.855 1.00 0.30 O ATOM 2296 CB PHE A 152 -5.373 -0.559 4.736 1.00 0.30 C ATOM 2297 CG PHE A 152 -4.726 -1.841 5.189 1.00 1.46 C ATOM 2298 CD1 PHE A 152 -3.784 -1.840 6.202 1.00 2.11 C ATOM 2299 CD2 PHE A 152 -5.052 -3.046 4.585 1.00 2.12 C ATOM 2300 CE1 PHE A 152 -3.180 -3.014 6.607 1.00 3.33 C ATOM 2301 CE2 PHE A 152 -4.453 -4.222 4.987 1.00 3.35 C ATOM 2302 CZ PHE A 152 -3.516 -4.207 5.999 1.00 3.93 C ATOM 0 H PHE A 152 -5.610 1.091 7.076 1.00 0.27 H new ATOM 0 HA PHE A 152 -7.372 0.093 4.944 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -5.750 -0.704 3.724 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -4.605 0.213 4.683 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -3.518 -0.910 6.682 1.00 2.11 H new ATOM 0 HD2 PHE A 152 -5.783 -3.064 3.791 1.00 2.12 H new ATOM 0 HE1 PHE A 152 -2.445 -2.999 7.399 1.00 3.33 H new ATOM 0 HE2 PHE A 152 -4.718 -5.154 4.510 1.00 3.35 H new ATOM 0 HZ PHE A 152 -3.046 -5.127 6.315 1.00 3.93 H new ATOM 2312 N GLN A 153 -7.470 -2.121 6.315 1.00 0.30 N ATOM 2313 CA GLN A 153 -7.952 -3.150 7.216 1.00 0.33 C ATOM 2314 C GLN A 153 -8.134 -4.410 6.403 1.00 0.38 C ATOM 2315 O GLN A 153 -8.494 -4.330 5.228 1.00 0.44 O ATOM 2316 CB GLN A 153 -9.258 -2.749 7.931 1.00 0.44 C ATOM 2317 CG GLN A 153 -10.393 -2.321 7.010 1.00 0.70 C ATOM 2318 CD GLN A 153 -11.698 -2.087 7.753 1.00 0.63 C ATOM 2319 OE1 GLN A 153 -12.785 -2.253 7.197 1.00 1.27 O ATOM 2320 NE2 GLN A 153 -11.604 -1.707 9.017 1.00 1.20 N ATOM 0 H GLN A 153 -7.626 -2.343 5.332 1.00 0.30 H new ATOM 0 HA GLN A 153 -7.225 -3.305 8.013 1.00 0.33 H new ATOM 0 HB2 GLN A 153 -9.598 -3.591 8.533 1.00 0.44 H new ATOM 0 HB3 GLN A 153 -9.041 -1.932 8.619 1.00 0.44 H new ATOM 0 HG2 GLN A 153 -10.107 -1.407 6.490 1.00 0.70 H new ATOM 0 HG3 GLN A 153 -10.546 -3.086 6.249 1.00 0.70 H new ATOM 0 HE21 GLN A 153 -10.687 -1.580 9.444 1.00 1.20 H new ATOM 0 HE22 GLN A 153 -12.449 -1.542 9.564 1.00 1.20 H new ATOM 2329 N ILE A 154 -7.864 -5.566 6.984 1.00 0.43 N ATOM 2330 CA ILE A 154 -7.825 -6.777 6.199 1.00 0.45 C ATOM 2331 C ILE A 154 -9.187 -7.436 6.240 1.00 0.44 C ATOM 2332 O ILE A 154 -9.649 -7.919 7.277 1.00 0.49 O ATOM 2333 CB ILE A 154 -6.764 -7.758 6.749 1.00 0.56 C ATOM 2334 CG1 ILE A 154 -5.379 -7.111 6.714 1.00 1.14 C ATOM 2335 CG2 ILE A 154 -6.767 -9.059 5.959 1.00 1.53 C ATOM 2336 CD1 ILE A 154 -4.291 -7.955 7.340 1.00 1.63 C ATOM 0 H ILE A 154 -7.672 -5.687 7.979 1.00 0.43 H new ATOM 0 HA ILE A 154 -7.559 -6.521 5.173 1.00 0.45 H new ATOM 0 HB ILE A 154 -7.015 -7.992 7.784 1.00 0.56 H new ATOM 0 HG12 ILE A 154 -5.112 -6.903 5.678 1.00 1.14 H new ATOM 0 HG13 ILE A 154 -5.424 -6.152 7.231 1.00 1.14 H new ATOM 0 HG21 ILE A 154 -6.012 -9.733 6.365 1.00 1.53 H new ATOM 0 HG22 ILE A 154 -7.749 -9.527 6.033 1.00 1.53 H new ATOM 0 HG23 ILE A 154 -6.542 -8.850 4.913 1.00 1.53 H new ATOM 0 HD11 ILE A 154 -3.339 -7.428 7.276 1.00 1.63 H new ATOM 0 HD12 ILE A 154 -4.532 -8.142 8.386 1.00 1.63 H new ATOM 0 HD13 ILE A 154 -4.216 -8.904 6.809 1.00 1.63 H new ATOM 2348 N LEU A 155 -9.811 -7.444 5.077 1.00 0.43 N ATOM 2349 CA LEU A 155 -11.182 -7.877 4.922 1.00 0.44 C ATOM 2350 C LEU A 155 -11.242 -9.192 4.158 1.00 0.57 C ATOM 2351 O LEU A 155 -10.722 -9.303 3.055 1.00 0.67 O ATOM 2352 CB LEU A 155 -12.029 -6.803 4.210 1.00 0.53 C ATOM 2353 CG LEU A 155 -12.177 -5.439 4.924 1.00 0.46 C ATOM 2354 CD1 LEU A 155 -13.575 -4.892 4.708 1.00 0.82 C ATOM 2355 CD2 LEU A 155 -11.903 -5.554 6.416 1.00 0.73 C ATOM 0 H LEU A 155 -9.373 -7.146 4.205 1.00 0.43 H new ATOM 0 HA LEU A 155 -11.600 -8.030 5.917 1.00 0.44 H new ATOM 0 HB2 LEU A 155 -11.594 -6.625 3.227 1.00 0.53 H new ATOM 0 HB3 LEU A 155 -13.027 -7.211 4.048 1.00 0.53 H new ATOM 0 HG LEU A 155 -11.441 -4.759 4.495 1.00 0.46 H new ATOM 0 HD11 LEU A 155 -13.672 -3.931 5.214 1.00 0.82 H new ATOM 0 HD12 LEU A 155 -13.753 -4.760 3.641 1.00 0.82 H new ATOM 0 HD13 LEU A 155 -14.306 -5.591 5.114 1.00 0.82 H new ATOM 0 HD21 LEU A 155 -12.017 -4.576 6.883 1.00 0.73 H new ATOM 0 HD22 LEU A 155 -12.609 -6.254 6.863 1.00 0.73 H new ATOM 0 HD23 LEU A 155 -10.886 -5.915 6.572 1.00 0.73 H new ATOM 2367 N GLU A 156 -11.818 -10.196 4.775 1.00 0.67 N ATOM 2368 CA GLU A 156 -12.003 -11.487 4.136 1.00 0.89 C ATOM 2369 C GLU A 156 -13.321 -11.466 3.355 1.00 0.99 C ATOM 2370 O GLU A 156 -14.226 -10.715 3.695 1.00 0.90 O ATOM 2371 CB GLU A 156 -12.011 -12.573 5.219 1.00 1.04 C ATOM 2372 CG GLU A 156 -12.084 -13.995 4.698 1.00 1.58 C ATOM 2373 CD GLU A 156 -11.917 -15.012 5.809 1.00 2.05 C ATOM 2374 OE1 GLU A 156 -12.810 -15.104 6.681 1.00 2.57 O ATOM 2375 OE2 GLU A 156 -10.884 -15.714 5.827 1.00 2.53 O ATOM 0 H GLU A 156 -12.172 -10.147 5.730 1.00 0.67 H new ATOM 0 HA GLU A 156 -11.193 -11.700 3.438 1.00 0.89 H new ATOM 0 HB2 GLU A 156 -11.110 -12.469 5.824 1.00 1.04 H new ATOM 0 HB3 GLU A 156 -12.860 -12.400 5.880 1.00 1.04 H new ATOM 0 HG2 GLU A 156 -13.042 -14.152 4.203 1.00 1.58 H new ATOM 0 HG3 GLU A 156 -11.309 -14.147 3.947 1.00 1.58 H new ATOM 2382 N ASN A 157 -13.447 -12.310 2.339 1.00 1.23 N ATOM 2383 CA ASN A 157 -14.588 -12.226 1.422 1.00 1.41 C ATOM 2384 C ASN A 157 -15.777 -12.987 1.998 1.00 1.66 C ATOM 2385 O ASN A 157 -15.619 -13.916 2.789 1.00 1.82 O ATOM 2386 CB ASN A 157 -14.170 -12.807 0.062 1.00 1.68 C ATOM 2387 CG ASN A 157 -15.332 -13.019 -0.893 1.00 2.14 C ATOM 2388 OD1 ASN A 157 -15.780 -12.089 -1.559 1.00 2.67 O ATOM 2389 ND2 ASN A 157 -15.807 -14.250 -0.984 1.00 2.44 N ATOM 0 H ASN A 157 -12.784 -13.055 2.126 1.00 1.23 H new ATOM 0 HA ASN A 157 -14.889 -11.187 1.290 1.00 1.41 H new ATOM 0 HB2 ASN A 157 -13.447 -12.137 -0.403 1.00 1.68 H new ATOM 0 HB3 ASN A 157 -13.665 -13.759 0.223 1.00 1.68 H new ATOM 0 HD21 ASN A 157 -16.573 -14.455 -1.625 1.00 2.44 H new ATOM 0 HD22 ASN A 157 -15.407 -14.995 -0.413 1.00 2.44 H new ATOM 2396 N GLN A 158 -16.967 -12.581 1.563 1.00 1.77 N ATOM 2397 CA GLN A 158 -18.213 -12.969 2.209 1.00 2.06 C ATOM 2398 C GLN A 158 -18.594 -14.415 1.901 1.00 2.49 C ATOM 2399 O GLN A 158 -18.889 -15.185 2.809 1.00 2.73 O ATOM 2400 CB GLN A 158 -19.325 -12.001 1.794 1.00 2.08 C ATOM 2401 CG GLN A 158 -20.482 -11.925 2.782 1.00 2.54 C ATOM 2402 CD GLN A 158 -21.508 -13.025 2.592 1.00 2.68 C ATOM 2403 OE1 GLN A 158 -22.108 -13.499 3.554 1.00 3.15 O ATOM 2404 NE2 GLN A 158 -21.741 -13.412 1.348 1.00 2.98 N ATOM 0 H GLN A 158 -17.092 -11.974 0.753 1.00 1.77 H new ATOM 0 HA GLN A 158 -18.072 -12.912 3.288 1.00 2.06 H new ATOM 0 HB2 GLN A 158 -18.899 -11.005 1.672 1.00 2.08 H new ATOM 0 HB3 GLN A 158 -19.711 -12.304 0.821 1.00 2.08 H new ATOM 0 HG2 GLN A 158 -20.088 -11.977 3.797 1.00 2.54 H new ATOM 0 HG3 GLN A 158 -20.974 -10.958 2.681 1.00 2.54 H new ATOM 0 HE21 GLN A 158 -21.220 -12.993 0.577 1.00 2.98 H new ATOM 0 HE22 GLN A 158 -22.441 -14.129 1.160 1.00 2.98 H new ATOM 2413 N ALA A 159 -18.605 -14.773 0.629 1.00 2.67 N ATOM 2414 CA ALA A 159 -18.894 -16.138 0.227 1.00 3.14 C ATOM 2415 C ALA A 159 -17.822 -16.632 -0.734 1.00 3.38 C ATOM 2416 O ALA A 159 -16.818 -17.202 -0.261 1.00 3.55 O ATOM 2417 CB ALA A 159 -20.276 -16.225 -0.404 1.00 3.37 C ATOM 2418 OXT ALA A 159 -17.963 -16.402 -1.953 1.00 3.78 O ATOM 0 H ALA A 159 -18.417 -14.136 -0.145 1.00 2.67 H new ATOM 0 HA ALA A 159 -18.888 -16.778 1.109 1.00 3.14 H new ATOM 0 HB1 ALA A 159 -20.477 -17.255 -0.700 1.00 3.37 H new ATOM 0 HB2 ALA A 159 -21.026 -15.902 0.317 1.00 3.37 H new ATOM 0 HB3 ALA A 159 -20.316 -15.581 -1.282 1.00 3.37 H new TER 2424 ALA A 159