USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 749 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 83 ASN : amide:sc= -0.866 K(o=-0.98,f=-1.9!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.126 USER MOD Set 1.3: A 98 SER OG : rot 180:sc= -0.242 USER MOD Set 2.1: A 73 SER OG : rot -130:sc= -3.26! USER MOD Set 2.2: A 82 HIS : no HD1:sc= -3.09! C(o=-6.3!,f=-6.9!) USER MOD Set 3.1: A 17 ASN : amide:sc= -4.59! K(o=-4.6!,f=-1) USER MOD Set 3.2: A 39 TYR OH : rot 141:sc= 0.0155 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.766 K(o=-0.77,f=-0.045) USER MOD Single : A 29 SER OG : rot 80:sc= 0.0208 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 33 TYR OH : rot -149:sc= -2.11! USER MOD Single : A 34 SER OG : rot -31:sc= 0.715 USER MOD Single : A 36 ASN : amide:sc= -2.81! C(o=-2.8!,f=-5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -9.26! C(o=-9.3!,f=-8.6!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -47:sc= -4.59! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -125:sc= -5.95! (180deg=-8.28!) USER MOD Single : A 60 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.9!) USER MOD Single : A 68 SER OG : rot 14:sc= 0.584! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.12) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 75:sc= 0.951 USER MOD Single : A 97 TYR OH : rot -109:sc= -3.5 USER MOD Single : A 100 ASN : amide:sc= -3.6! C(o=-3.6!,f=-2.5!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 75:sc= -0.179 USER MOD Single : A 108 ASN : amide:sc= -5.03! C(o=-5!,f=-4.7!) USER MOD Single : A 109 SER OG : rot -141:sc= -6.2! USER MOD Single : A 114 SER OG : rot 44:sc= 0.00411 USER MOD Single : A 119 SER OG : rot 180:sc= 0.00546 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 30.746 3.398 -2.978 1.00 0.00 N ATOM 26 CA ARG A 8 29.309 3.193 -2.860 1.00 0.00 C ATOM 27 C ARG A 8 28.984 1.719 -2.638 1.00 0.00 C ATOM 28 O ARG A 8 29.867 0.862 -2.691 1.00 0.00 O ATOM 29 CB ARG A 8 28.599 3.694 -4.120 1.00 0.00 C ATOM 30 CG ARG A 8 29.139 5.016 -4.640 1.00 0.00 C ATOM 31 CD ARG A 8 28.023 5.909 -5.157 1.00 0.00 C ATOM 32 NE ARG A 8 27.607 5.538 -6.507 1.00 0.00 N ATOM 33 CZ ARG A 8 26.604 6.122 -7.155 1.00 0.00 C ATOM 34 NH1 ARG A 8 26.285 5.729 -8.380 1.00 0.00 N ATOM 35 NH2 ARG A 8 25.920 7.100 -6.578 1.00 0.00 N ATOM 0 HA ARG A 8 28.957 3.759 -1.998 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.692 2.941 -4.902 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.536 3.804 -3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 8 29.677 5.529 -3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.856 4.828 -5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 8 27.168 5.847 -4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 8 28.357 6.946 -5.153 1.00 0.00 H new ATOM 0 HE ARG A 8 28.114 4.789 -6.979 1.00 0.00 H new ATOM 0 HH11 ARG A 8 26.809 4.977 -8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 8 25.515 6.178 -8.875 1.00 0.00 H new ATOM 0 HH21 ARG A 8 26.163 7.405 -5.636 1.00 0.00 H new ATOM 0 HH22 ARG A 8 25.151 7.547 -7.076 1.00 0.00 H new ATOM 49 N CYS A 9 27.710 1.433 -2.395 1.00 0.00 N ATOM 50 CA CYS A 9 27.257 0.067 -2.169 1.00 0.00 C ATOM 51 C CYS A 9 26.782 -0.570 -3.471 1.00 0.00 C ATOM 52 O CYS A 9 26.501 0.128 -4.446 1.00 0.00 O ATOM 53 CB CYS A 9 26.124 0.056 -1.144 1.00 0.00 C ATOM 54 SG CYS A 9 26.684 0.153 0.587 1.00 0.00 S ATOM 0 H CYS A 9 26.970 2.133 -2.349 1.00 0.00 H new ATOM 0 HA CYS A 9 28.097 -0.513 -1.787 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.458 0.895 -1.346 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.539 -0.855 -1.275 1.00 0.00 H new ATOM 59 N PRO A 10 26.681 -1.909 -3.505 1.00 0.00 N ATOM 60 CA PRO A 10 26.233 -2.632 -4.696 1.00 0.00 C ATOM 61 C PRO A 10 24.770 -2.352 -5.017 1.00 0.00 C ATOM 62 O PRO A 10 24.066 -1.711 -4.238 1.00 0.00 O ATOM 63 CB PRO A 10 26.429 -4.103 -4.330 1.00 0.00 C ATOM 64 CG PRO A 10 26.426 -4.134 -2.844 1.00 0.00 C ATOM 65 CD PRO A 10 26.993 -2.818 -2.390 1.00 0.00 C ATOM 0 HA PRO A 10 26.788 -2.332 -5.585 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.630 -4.721 -4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.367 -4.488 -4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.415 -4.274 -2.461 1.00 0.00 H new ATOM 0 HG3 PRO A 10 27.026 -4.964 -2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.536 -2.483 -1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 10 28.067 -2.883 -2.213 1.00 0.00 H new ATOM 73 N SER A 11 24.320 -2.831 -6.170 1.00 0.00 N ATOM 74 CA SER A 11 22.937 -2.634 -6.584 1.00 0.00 C ATOM 75 C SER A 11 21.982 -3.150 -5.510 1.00 0.00 C ATOM 76 O SER A 11 21.926 -4.352 -5.252 1.00 0.00 O ATOM 77 CB SER A 11 22.672 -3.354 -7.907 1.00 0.00 C ATOM 78 OG SER A 11 22.269 -2.442 -8.914 1.00 0.00 O ATOM 0 H SER A 11 24.890 -3.357 -6.833 1.00 0.00 H new ATOM 0 HA SER A 11 22.767 -1.566 -6.722 1.00 0.00 H new ATOM 0 HB2 SER A 11 23.573 -3.878 -8.226 1.00 0.00 H new ATOM 0 HB3 SER A 11 21.898 -4.109 -7.765 1.00 0.00 H new ATOM 0 HG SER A 11 22.108 -2.928 -9.750 1.00 0.00 H new ATOM 84 N PRO A 12 21.228 -2.253 -4.848 1.00 0.00 N ATOM 85 CA PRO A 12 20.291 -2.649 -3.795 1.00 0.00 C ATOM 86 C PRO A 12 19.299 -3.696 -4.281 1.00 0.00 C ATOM 87 O PRO A 12 18.978 -3.761 -5.468 1.00 0.00 O ATOM 88 CB PRO A 12 19.568 -1.349 -3.421 1.00 0.00 C ATOM 89 CG PRO A 12 19.885 -0.384 -4.514 1.00 0.00 C ATOM 90 CD PRO A 12 21.216 -0.799 -5.071 1.00 0.00 C ATOM 0 HA PRO A 12 20.805 -3.107 -2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.493 -1.508 -3.339 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.910 -0.974 -2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.116 -0.406 -5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.924 0.636 -4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.306 -0.552 -6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.041 -0.305 -4.557 1.00 0.00 H new ATOM 98 N ARG A 13 18.834 -4.529 -3.360 1.00 0.00 N ATOM 99 CA ARG A 13 17.881 -5.577 -3.693 1.00 0.00 C ATOM 100 C ARG A 13 16.566 -4.978 -4.145 1.00 0.00 C ATOM 101 O ARG A 13 16.213 -3.864 -3.767 1.00 0.00 O ATOM 102 CB ARG A 13 17.657 -6.498 -2.494 1.00 0.00 C ATOM 103 CG ARG A 13 18.467 -7.783 -2.556 1.00 0.00 C ATOM 104 CD ARG A 13 17.753 -8.922 -1.848 1.00 0.00 C ATOM 105 NE ARG A 13 18.544 -10.149 -1.848 1.00 0.00 N ATOM 106 CZ ARG A 13 18.066 -11.333 -1.482 1.00 0.00 C ATOM 107 NH1 ARG A 13 16.805 -11.449 -1.088 1.00 0.00 N ATOM 108 NH2 ARG A 13 18.847 -12.404 -1.508 1.00 0.00 N ATOM 0 H ARG A 13 19.102 -4.499 -2.376 1.00 0.00 H new ATOM 0 HA ARG A 13 18.294 -6.165 -4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.912 -5.961 -1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.598 -6.748 -2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.644 -8.054 -3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.443 -7.622 -2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.536 -8.631 -0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.796 -9.108 -2.335 1.00 0.00 H new ATOM 0 HE ARG A 13 19.518 -10.094 -2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.200 -10.628 -1.066 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.440 -12.359 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.818 -12.320 -1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.477 -13.312 -1.226 1.00 0.00 H new ATOM 122 N ASP A 14 15.852 -5.722 -4.969 1.00 0.00 N ATOM 123 CA ASP A 14 14.615 -5.253 -5.535 1.00 0.00 C ATOM 124 C ASP A 14 13.405 -5.798 -4.789 1.00 0.00 C ATOM 125 O ASP A 14 13.537 -6.522 -3.802 1.00 0.00 O ATOM 126 CB ASP A 14 14.579 -5.662 -7.002 1.00 0.00 C ATOM 127 CG ASP A 14 14.259 -7.133 -7.206 1.00 0.00 C ATOM 128 OD1 ASP A 14 14.632 -7.948 -6.337 1.00 0.00 O ATOM 129 OD2 ASP A 14 13.636 -7.467 -8.236 1.00 0.00 O ATOM 0 H ASP A 14 16.117 -6.663 -5.260 1.00 0.00 H new ATOM 0 HA ASP A 14 14.568 -4.168 -5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.834 -5.059 -7.522 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.544 -5.440 -7.458 1.00 0.00 H new ATOM 134 N ILE A 15 12.227 -5.441 -5.278 1.00 0.00 N ATOM 135 CA ILE A 15 10.977 -5.884 -4.675 1.00 0.00 C ATOM 136 C ILE A 15 9.861 -5.943 -5.707 1.00 0.00 C ATOM 137 O ILE A 15 9.748 -5.068 -6.565 1.00 0.00 O ATOM 138 CB ILE A 15 10.535 -4.955 -3.539 1.00 0.00 C ATOM 139 CG1 ILE A 15 9.288 -5.521 -2.865 1.00 0.00 C ATOM 140 CG2 ILE A 15 10.262 -3.559 -4.073 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.821 -4.703 -1.690 1.00 0.00 C ATOM 0 H ILE A 15 12.109 -4.842 -6.095 1.00 0.00 H new ATOM 0 HA ILE A 15 11.164 -6.880 -4.274 1.00 0.00 H new ATOM 0 HB ILE A 15 11.336 -4.889 -2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.484 -5.583 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.494 -6.538 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.949 -2.911 -3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.169 -3.159 -4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.472 -3.604 -4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.931 -5.161 -1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.610 -4.662 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.584 -3.692 -2.022 1.00 0.00 H new ATOM 153 N ASP A 16 9.017 -6.959 -5.596 1.00 0.00 N ATOM 154 CA ASP A 16 7.889 -7.104 -6.499 1.00 0.00 C ATOM 155 C ASP A 16 6.745 -6.208 -6.075 1.00 0.00 C ATOM 156 O ASP A 16 6.807 -5.549 -5.037 1.00 0.00 O ATOM 157 CB ASP A 16 7.408 -8.549 -6.542 1.00 0.00 C ATOM 158 CG ASP A 16 7.336 -9.187 -5.168 1.00 0.00 C ATOM 159 OD1 ASP A 16 7.137 -10.417 -5.094 1.00 0.00 O ATOM 160 OD2 ASP A 16 7.479 -8.454 -4.167 1.00 0.00 O ATOM 0 H ASP A 16 9.093 -7.692 -4.891 1.00 0.00 H new ATOM 0 HA ASP A 16 8.225 -6.812 -7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.422 -8.585 -7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.079 -9.132 -7.173 1.00 0.00 H new ATOM 165 N ASN A 17 5.705 -6.184 -6.901 1.00 0.00 N ATOM 166 CA ASN A 17 4.508 -5.375 -6.641 1.00 0.00 C ATOM 167 C ASN A 17 4.859 -4.029 -6.005 1.00 0.00 C ATOM 168 O ASN A 17 4.093 -3.489 -5.208 1.00 0.00 O ATOM 169 CB ASN A 17 3.542 -6.140 -5.737 1.00 0.00 C ATOM 170 CG ASN A 17 3.470 -7.610 -6.096 1.00 0.00 C ATOM 171 OD1 ASN A 17 2.503 -8.067 -6.704 1.00 0.00 O ATOM 172 ND2 ASN A 17 4.510 -8.352 -5.740 1.00 0.00 N ATOM 0 H ASN A 17 5.662 -6.720 -7.768 1.00 0.00 H new ATOM 0 HA ASN A 17 4.031 -5.177 -7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.858 -6.036 -4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.548 -5.699 -5.814 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.530 -9.346 -5.970 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.290 -7.929 -5.237 1.00 0.00 H new ATOM 179 N GLY A 18 6.034 -3.512 -6.348 1.00 0.00 N ATOM 180 CA GLY A 18 6.479 -2.243 -5.802 1.00 0.00 C ATOM 181 C GLY A 18 7.681 -1.681 -6.537 1.00 0.00 C ATOM 182 O GLY A 18 8.026 -2.145 -7.624 1.00 0.00 O ATOM 0 H GLY A 18 6.688 -3.951 -6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.661 -1.525 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.730 -2.373 -4.749 1.00 0.00 H new ATOM 186 N GLN A 19 8.315 -0.673 -5.945 1.00 0.00 N ATOM 187 CA GLN A 19 9.481 -0.039 -6.551 1.00 0.00 C ATOM 188 C GLN A 19 10.350 0.630 -5.491 1.00 0.00 C ATOM 189 O GLN A 19 9.841 1.146 -4.496 1.00 0.00 O ATOM 190 CB GLN A 19 9.051 0.984 -7.593 1.00 0.00 C ATOM 191 CG GLN A 19 7.902 1.818 -7.105 1.00 0.00 C ATOM 192 CD GLN A 19 8.212 3.302 -7.090 1.00 0.00 C ATOM 193 OE1 GLN A 19 7.420 4.117 -7.563 1.00 0.00 O ATOM 194 NE2 GLN A 19 9.371 3.660 -6.551 1.00 0.00 N ATOM 0 H GLN A 19 8.041 -0.278 -5.046 1.00 0.00 H new ATOM 0 HA GLN A 19 10.069 -0.816 -7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.893 1.631 -7.838 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.765 0.471 -8.511 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.035 1.640 -7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.630 1.499 -6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.997 2.951 -6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.635 4.645 -6.517 1.00 0.00 H new ATOM 203 N LEU A 20 11.660 0.626 -5.712 1.00 0.00 N ATOM 204 CA LEU A 20 12.593 1.222 -4.769 1.00 0.00 C ATOM 205 C LEU A 20 12.744 2.721 -5.002 1.00 0.00 C ATOM 206 O LEU A 20 12.495 3.220 -6.099 1.00 0.00 O ATOM 207 CB LEU A 20 13.955 0.552 -4.894 1.00 0.00 C ATOM 208 CG LEU A 20 14.140 -0.702 -4.044 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.413 -1.414 -4.446 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.947 -1.632 -4.185 1.00 0.00 C ATOM 0 H LEU A 20 12.098 0.216 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 20 12.194 1.070 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.120 0.291 -5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.724 1.274 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 20 14.214 -0.404 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.538 -2.308 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.355 -1.698 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.264 -0.750 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.102 -2.519 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.044 -1.117 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.838 -1.929 -5.228 1.00 0.00 H new ATOM 222 N ASP A 21 13.184 3.425 -3.966 1.00 0.00 N ATOM 223 CA ASP A 21 13.424 4.862 -4.053 1.00 0.00 C ATOM 224 C ASP A 21 14.849 5.173 -3.611 1.00 0.00 C ATOM 225 O ASP A 21 15.080 5.612 -2.484 1.00 0.00 O ATOM 226 CB ASP A 21 12.425 5.628 -3.184 1.00 0.00 C ATOM 227 CG ASP A 21 12.061 6.976 -3.773 1.00 0.00 C ATOM 228 OD1 ASP A 21 12.417 8.006 -3.163 1.00 0.00 O ATOM 229 OD2 ASP A 21 11.418 7.002 -4.844 1.00 0.00 O ATOM 0 H ASP A 21 13.383 3.022 -3.050 1.00 0.00 H new ATOM 0 HA ASP A 21 13.292 5.177 -5.088 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.521 5.031 -3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.848 5.771 -2.190 1.00 0.00 H new ATOM 234 N ILE A 22 15.806 4.891 -4.489 1.00 0.00 N ATOM 235 CA ILE A 22 17.219 5.077 -4.170 1.00 0.00 C ATOM 236 C ILE A 22 17.621 6.544 -4.184 1.00 0.00 C ATOM 237 O ILE A 22 17.875 7.122 -5.240 1.00 0.00 O ATOM 238 CB ILE A 22 18.145 4.303 -5.134 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.457 3.036 -5.659 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.450 3.955 -4.434 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.392 2.065 -6.351 1.00 0.00 C ATOM 0 H ILE A 22 15.630 4.533 -5.428 1.00 0.00 H new ATOM 0 HA ILE A 22 17.342 4.680 -3.162 1.00 0.00 H new ATOM 0 HB ILE A 22 18.364 4.941 -5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.973 2.526 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.670 3.325 -6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 22 20.097 3.409 -5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.948 4.871 -4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.241 3.335 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.828 1.197 -6.692 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.857 2.555 -7.207 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.165 1.744 -5.653 1.00 0.00 H new ATOM 253 N GLY A 23 17.720 7.126 -2.995 1.00 0.00 N ATOM 254 CA GLY A 23 18.168 8.498 -2.876 1.00 0.00 C ATOM 255 C GLY A 23 19.615 8.577 -2.423 1.00 0.00 C ATOM 256 O GLY A 23 20.066 9.613 -1.935 1.00 0.00 O ATOM 0 H GLY A 23 17.497 6.670 -2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 23 18.059 9.001 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.534 9.028 -2.165 1.00 0.00 H new ATOM 260 N GLY A 24 20.340 7.468 -2.578 1.00 0.00 N ATOM 261 CA GLY A 24 21.732 7.421 -2.168 1.00 0.00 C ATOM 262 C GLY A 24 22.218 5.997 -1.985 1.00 0.00 C ATOM 263 O GLY A 24 21.524 5.170 -1.394 1.00 0.00 O ATOM 0 H GLY A 24 19.985 6.601 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 24 22.348 7.922 -2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 24 21.854 7.970 -1.234 1.00 0.00 H new ATOM 267 N VAL A 25 23.405 5.701 -2.505 1.00 0.00 N ATOM 268 CA VAL A 25 23.957 4.355 -2.413 1.00 0.00 C ATOM 269 C VAL A 25 25.375 4.363 -1.853 1.00 0.00 C ATOM 270 O VAL A 25 26.198 3.524 -2.217 1.00 0.00 O ATOM 271 CB VAL A 25 23.968 3.662 -3.787 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.554 3.544 -4.335 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.863 4.417 -4.758 1.00 0.00 C ATOM 0 H VAL A 25 24.000 6.371 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 25 23.311 3.802 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 25 24.371 2.657 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.580 3.052 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 25 21.945 2.957 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 25 22.122 4.539 -4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.859 3.913 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.492 5.435 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.881 4.445 -4.368 1.00 0.00 H new ATOM 283 N ASP A 26 25.654 5.301 -0.954 1.00 0.00 N ATOM 284 CA ASP A 26 26.976 5.398 -0.349 1.00 0.00 C ATOM 285 C ASP A 26 26.965 4.888 1.085 1.00 0.00 C ATOM 286 O ASP A 26 25.910 4.748 1.703 1.00 0.00 O ATOM 287 CB ASP A 26 27.480 6.840 -0.382 1.00 0.00 C ATOM 288 CG ASP A 26 28.943 6.953 -0.002 1.00 0.00 C ATOM 289 OD1 ASP A 26 29.796 6.947 -0.915 1.00 0.00 O ATOM 290 OD2 ASP A 26 29.237 7.049 1.208 1.00 0.00 O ATOM 0 H ASP A 26 24.986 6.001 -0.630 1.00 0.00 H new ATOM 0 HA ASP A 26 27.651 4.772 -0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 26 27.335 7.249 -1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 26 26.883 7.446 0.300 1.00 0.00 H new ATOM 295 N PHE A 27 28.155 4.621 1.605 1.00 0.00 N ATOM 296 CA PHE A 27 28.314 4.118 2.965 1.00 0.00 C ATOM 297 C PHE A 27 27.498 4.935 3.957 1.00 0.00 C ATOM 298 O PHE A 27 27.953 5.968 4.448 1.00 0.00 O ATOM 299 CB PHE A 27 29.790 4.156 3.367 1.00 0.00 C ATOM 300 CG PHE A 27 30.315 2.863 3.926 1.00 0.00 C ATOM 301 CD1 PHE A 27 31.664 2.561 3.830 1.00 0.00 C ATOM 302 CD2 PHE A 27 29.471 1.958 4.559 1.00 0.00 C ATOM 303 CE1 PHE A 27 32.164 1.381 4.343 1.00 0.00 C ATOM 304 CE2 PHE A 27 29.970 0.773 5.075 1.00 0.00 C ATOM 305 CZ PHE A 27 31.319 0.488 4.966 1.00 0.00 C ATOM 0 H PHE A 27 29.033 4.745 1.101 1.00 0.00 H new ATOM 0 HA PHE A 27 27.952 3.090 2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 27 30.385 4.429 2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 27 29.932 4.942 4.108 1.00 0.00 H new ATOM 0 HD1 PHE A 27 32.333 3.258 3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 27 28.418 2.180 4.649 1.00 0.00 H new ATOM 0 HE1 PHE A 27 33.217 1.158 4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 27 29.307 0.073 5.561 1.00 0.00 H new ATOM 0 HZ PHE A 27 31.710 -0.434 5.369 1.00 0.00 H new ATOM 315 N GLY A 28 26.301 4.456 4.264 1.00 0.00 N ATOM 316 CA GLY A 28 25.456 5.143 5.220 1.00 0.00 C ATOM 317 C GLY A 28 24.182 5.696 4.604 1.00 0.00 C ATOM 318 O GLY A 28 23.334 6.239 5.313 1.00 0.00 O ATOM 0 H GLY A 28 25.900 3.605 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 28 25.194 4.455 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 28 26.019 5.961 5.671 1.00 0.00 H new ATOM 322 N SER A 29 24.046 5.575 3.285 1.00 0.00 N ATOM 323 CA SER A 29 22.858 6.065 2.600 1.00 0.00 C ATOM 324 C SER A 29 21.655 5.198 2.944 1.00 0.00 C ATOM 325 O SER A 29 21.790 4.179 3.621 1.00 0.00 O ATOM 326 CB SER A 29 23.081 6.075 1.086 1.00 0.00 C ATOM 327 OG SER A 29 23.572 7.331 0.650 1.00 0.00 O ATOM 0 H SER A 29 24.741 5.144 2.675 1.00 0.00 H new ATOM 0 HA SER A 29 22.664 7.085 2.932 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.788 5.291 0.814 1.00 0.00 H new ATOM 0 HB3 SER A 29 22.144 5.851 0.576 1.00 0.00 H new ATOM 0 HG SER A 29 24.535 7.385 0.826 1.00 0.00 H new ATOM 333 N SER A 30 20.477 5.606 2.486 1.00 0.00 N ATOM 334 CA SER A 30 19.267 4.843 2.752 1.00 0.00 C ATOM 335 C SER A 30 18.302 4.912 1.577 1.00 0.00 C ATOM 336 O SER A 30 18.191 5.939 0.907 1.00 0.00 O ATOM 337 CB SER A 30 18.580 5.344 4.026 1.00 0.00 C ATOM 338 OG SER A 30 18.782 6.735 4.203 1.00 0.00 O ATOM 0 H SER A 30 20.336 6.452 1.934 1.00 0.00 H new ATOM 0 HA SER A 30 19.558 3.802 2.895 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.512 5.133 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.970 4.804 4.889 1.00 0.00 H new ATOM 0 HG SER A 30 18.332 7.029 5.022 1.00 0.00 H new ATOM 344 N ILE A 31 17.608 3.807 1.336 1.00 0.00 N ATOM 345 CA ILE A 31 16.651 3.724 0.238 1.00 0.00 C ATOM 346 C ILE A 31 15.222 3.766 0.770 1.00 0.00 C ATOM 347 O ILE A 31 15.001 3.709 1.979 1.00 0.00 O ATOM 348 CB ILE A 31 16.837 2.435 -0.600 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.255 1.877 -0.460 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.541 2.710 -2.060 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.441 0.529 -1.120 1.00 0.00 C ATOM 0 H ILE A 31 17.690 2.953 1.888 1.00 0.00 H new ATOM 0 HA ILE A 31 16.836 4.584 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 31 16.137 1.691 -0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.960 2.586 -0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.500 1.791 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.676 1.795 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.513 3.056 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.221 3.477 -2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.469 0.195 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.760 -0.194 -0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.228 0.613 -2.186 1.00 0.00 H new ATOM 363 N THR A 32 14.256 3.867 -0.136 1.00 0.00 N ATOM 364 CA THR A 32 12.852 3.908 0.252 1.00 0.00 C ATOM 365 C THR A 32 12.024 2.959 -0.601 1.00 0.00 C ATOM 366 O THR A 32 11.897 3.145 -1.811 1.00 0.00 O ATOM 367 CB THR A 32 12.305 5.330 0.135 1.00 0.00 C ATOM 368 OG1 THR A 32 13.360 6.261 -0.035 1.00 0.00 O ATOM 369 CG2 THR A 32 11.499 5.759 1.340 1.00 0.00 C ATOM 0 H THR A 32 14.419 3.922 -1.141 1.00 0.00 H new ATOM 0 HA THR A 32 12.782 3.588 1.291 1.00 0.00 H new ATOM 0 HB THR A 32 11.648 5.318 -0.735 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.990 7.165 -0.110 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.140 6.778 1.193 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.649 5.089 1.466 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.127 5.720 2.230 1.00 0.00 H new ATOM 377 N TYR A 33 11.463 1.940 0.038 1.00 0.00 N ATOM 378 CA TYR A 33 10.655 0.954 -0.666 1.00 0.00 C ATOM 379 C TYR A 33 9.194 1.380 -0.726 1.00 0.00 C ATOM 380 O TYR A 33 8.695 2.053 0.175 1.00 0.00 O ATOM 381 CB TYR A 33 10.773 -0.408 0.014 1.00 0.00 C ATOM 382 CG TYR A 33 11.999 -1.181 -0.406 1.00 0.00 C ATOM 383 CD1 TYR A 33 13.270 -0.744 -0.058 1.00 0.00 C ATOM 384 CD2 TYR A 33 11.885 -2.337 -1.165 1.00 0.00 C ATOM 385 CE1 TYR A 33 14.394 -1.451 -0.439 1.00 0.00 C ATOM 386 CE2 TYR A 33 13.005 -3.045 -1.557 1.00 0.00 C ATOM 387 CZ TYR A 33 14.256 -2.598 -1.190 1.00 0.00 C ATOM 388 OH TYR A 33 15.373 -3.300 -1.576 1.00 0.00 O ATOM 0 H TYR A 33 11.553 1.775 1.041 1.00 0.00 H new ATOM 0 HA TYR A 33 11.030 0.880 -1.687 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.794 -0.266 1.095 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.885 -0.998 -0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 33 13.382 0.162 0.519 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.906 -2.689 -1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 33 15.376 -1.106 -0.150 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.901 -3.943 -2.147 1.00 0.00 H new ATOM 0 HH TYR A 33 15.204 -3.737 -2.437 1.00 0.00 H new ATOM 398 N SER A 34 8.514 0.980 -1.795 1.00 0.00 N ATOM 399 CA SER A 34 7.108 1.324 -1.975 1.00 0.00 C ATOM 400 C SER A 34 6.402 0.309 -2.867 1.00 0.00 C ATOM 401 O SER A 34 7.006 -0.259 -3.777 1.00 0.00 O ATOM 402 CB SER A 34 6.980 2.724 -2.578 1.00 0.00 C ATOM 403 OG SER A 34 7.604 2.790 -3.849 1.00 0.00 O ATOM 0 H SER A 34 8.912 0.419 -2.548 1.00 0.00 H new ATOM 0 HA SER A 34 6.630 1.308 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.927 2.988 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.433 3.455 -1.908 1.00 0.00 H new ATOM 0 HG SER A 34 8.360 2.167 -3.875 1.00 0.00 H new ATOM 409 N CYS A 35 5.117 0.089 -2.604 1.00 0.00 N ATOM 410 CA CYS A 35 4.327 -0.851 -3.387 1.00 0.00 C ATOM 411 C CYS A 35 3.955 -0.252 -4.738 1.00 0.00 C ATOM 412 O CYS A 35 4.144 0.941 -4.973 1.00 0.00 O ATOM 413 CB CYS A 35 3.065 -1.246 -2.620 1.00 0.00 C ATOM 414 SG CYS A 35 3.315 -2.601 -1.427 1.00 0.00 S ATOM 0 H CYS A 35 4.602 0.550 -1.854 1.00 0.00 H new ATOM 0 HA CYS A 35 4.929 -1.742 -3.562 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.687 -0.373 -2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.296 -1.542 -3.334 1.00 0.00 H new ATOM 419 N ASN A 36 3.443 -1.092 -5.630 1.00 0.00 N ATOM 420 CA ASN A 36 3.078 -0.652 -6.972 1.00 0.00 C ATOM 421 C ASN A 36 1.837 0.234 -6.948 1.00 0.00 C ATOM 422 O ASN A 36 1.941 1.461 -6.932 1.00 0.00 O ATOM 423 CB ASN A 36 2.842 -1.861 -7.881 1.00 0.00 C ATOM 424 CG ASN A 36 4.121 -2.347 -8.535 1.00 0.00 C ATOM 425 OD1 ASN A 36 5.161 -1.694 -8.452 1.00 0.00 O ATOM 426 ND2 ASN A 36 4.051 -3.500 -9.189 1.00 0.00 N ATOM 0 H ASN A 36 3.271 -2.081 -5.449 1.00 0.00 H new ATOM 0 HA ASN A 36 3.906 -0.063 -7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.404 -2.671 -7.298 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.119 -1.597 -8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.880 -3.877 -9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.168 -4.009 -9.233 1.00 0.00 H new ATOM 433 N SER A 37 0.664 -0.390 -6.960 1.00 0.00 N ATOM 434 CA SER A 37 -0.591 0.348 -6.945 1.00 0.00 C ATOM 435 C SER A 37 -1.691 -0.466 -6.278 1.00 0.00 C ATOM 436 O SER A 37 -1.845 -1.658 -6.544 1.00 0.00 O ATOM 437 CB SER A 37 -1.006 0.719 -8.370 1.00 0.00 C ATOM 438 OG SER A 37 -2.406 0.922 -8.458 1.00 0.00 O ATOM 0 H SER A 37 0.557 -1.404 -6.980 1.00 0.00 H new ATOM 0 HA SER A 37 -0.440 1.261 -6.369 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.484 1.624 -8.680 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.706 -0.073 -9.057 1.00 0.00 H new ATOM 0 HG SER A 37 -2.645 1.159 -9.378 1.00 0.00 H new ATOM 444 N GLY A 38 -2.454 0.187 -5.411 1.00 0.00 N ATOM 445 CA GLY A 38 -3.523 -0.493 -4.706 1.00 0.00 C ATOM 446 C GLY A 38 -2.997 -1.551 -3.759 1.00 0.00 C ATOM 447 O GLY A 38 -3.693 -2.515 -3.442 1.00 0.00 O ATOM 0 H GLY A 38 -2.352 1.176 -5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.108 0.236 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.196 -0.955 -5.428 1.00 0.00 H new ATOM 451 N TYR A 39 -1.758 -1.370 -3.313 1.00 0.00 N ATOM 452 CA TYR A 39 -1.122 -2.318 -2.408 1.00 0.00 C ATOM 453 C TYR A 39 -0.768 -1.656 -1.080 1.00 0.00 C ATOM 454 O TYR A 39 -0.839 -0.434 -0.946 1.00 0.00 O ATOM 455 CB TYR A 39 0.147 -2.882 -3.049 1.00 0.00 C ATOM 456 CG TYR A 39 -0.058 -4.195 -3.770 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.211 -4.435 -4.507 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.907 -5.191 -3.718 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.399 -5.636 -5.165 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.728 -6.394 -4.374 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.426 -6.611 -5.096 1.00 0.00 C ATOM 462 OH TYR A 39 -0.608 -7.807 -5.752 1.00 0.00 O ATOM 0 H TYR A 39 -1.174 -0.573 -3.565 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.828 -3.126 -2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.541 -2.150 -3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.902 -3.019 -2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.972 -3.671 -4.567 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.813 -5.023 -3.155 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.303 -5.810 -5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.488 -7.160 -4.321 1.00 0.00 H new ATOM 0 HH TYR A 39 0.242 -8.098 -6.143 1.00 0.00 H new ATOM 472 N HIS A 40 -0.370 -2.468 -0.105 1.00 0.00 N ATOM 473 CA HIS A 40 0.039 -1.953 1.196 1.00 0.00 C ATOM 474 C HIS A 40 1.307 -2.652 1.674 1.00 0.00 C ATOM 475 O HIS A 40 1.306 -3.851 1.949 1.00 0.00 O ATOM 476 CB HIS A 40 -1.086 -2.104 2.228 1.00 0.00 C ATOM 477 CG HIS A 40 -1.259 -3.494 2.760 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.443 -3.769 4.100 1.00 0.00 N ATOM 479 CD2 HIS A 40 -1.294 -4.689 2.126 1.00 0.00 C ATOM 480 CE1 HIS A 40 -1.576 -5.073 4.266 1.00 0.00 C ATOM 481 NE2 HIS A 40 -1.488 -5.653 3.085 1.00 0.00 N ATOM 0 H HIS A 40 -0.322 -3.483 -0.192 1.00 0.00 H new ATOM 0 HA HIS A 40 0.252 -0.890 1.086 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.889 -1.431 3.063 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.024 -1.783 1.774 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.189 -4.854 1.064 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.730 -5.578 5.208 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.553 -6.656 2.912 1.00 0.00 H new ATOM 490 N LEU A 41 2.395 -1.894 1.735 1.00 0.00 N ATOM 491 CA LEU A 41 3.683 -2.425 2.153 1.00 0.00 C ATOM 492 C LEU A 41 3.766 -2.510 3.672 1.00 0.00 C ATOM 493 O LEU A 41 3.651 -1.501 4.367 1.00 0.00 O ATOM 494 CB LEU A 41 4.807 -1.541 1.612 1.00 0.00 C ATOM 495 CG LEU A 41 6.195 -1.826 2.183 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.269 -1.366 1.210 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.365 -1.147 3.532 1.00 0.00 C ATOM 0 H LEU A 41 2.408 -0.902 1.498 1.00 0.00 H new ATOM 0 HA LEU A 41 3.792 -3.432 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.847 -1.656 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.556 -0.499 1.813 1.00 0.00 H new ATOM 0 HG LEU A 41 6.299 -2.901 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.253 -1.575 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.156 -1.898 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.168 -0.295 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.359 -1.361 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.245 -0.070 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.613 -1.523 4.226 1.00 0.00 H new ATOM 509 N ILE A 42 3.955 -3.721 4.181 1.00 0.00 N ATOM 510 CA ILE A 42 4.031 -3.937 5.621 1.00 0.00 C ATOM 511 C ILE A 42 5.475 -3.918 6.105 1.00 0.00 C ATOM 512 O ILE A 42 6.409 -4.062 5.316 1.00 0.00 O ATOM 513 CB ILE A 42 3.375 -5.269 6.041 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.199 -5.610 5.121 1.00 0.00 C ATOM 515 CG2 ILE A 42 2.908 -5.186 7.484 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.188 -4.491 5.000 1.00 0.00 C ATOM 0 H ILE A 42 4.058 -4.567 3.620 1.00 0.00 H new ATOM 0 HA ILE A 42 3.482 -3.118 6.085 1.00 0.00 H new ATOM 0 HB ILE A 42 4.117 -6.063 5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.581 -5.853 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.699 -6.502 5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.446 -6.130 7.772 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.762 -4.987 8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.180 -4.381 7.585 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.382 -4.799 4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.778 -4.263 5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.674 -3.604 4.595 1.00 0.00 H new ATOM 528 N GLY A 43 5.649 -3.732 7.407 1.00 0.00 N ATOM 529 CA GLY A 43 6.982 -3.684 7.980 1.00 0.00 C ATOM 530 C GLY A 43 7.683 -2.370 7.695 1.00 0.00 C ATOM 531 O GLY A 43 7.072 -1.304 7.774 1.00 0.00 O ATOM 0 H GLY A 43 4.890 -3.613 8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.917 -3.833 9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.577 -4.505 7.580 1.00 0.00 H new ATOM 535 N GLU A 44 8.968 -2.441 7.357 1.00 0.00 N ATOM 536 CA GLU A 44 9.739 -1.245 7.051 1.00 0.00 C ATOM 537 C GLU A 44 9.517 -0.812 5.609 1.00 0.00 C ATOM 538 O GLU A 44 8.718 -1.407 4.888 1.00 0.00 O ATOM 539 CB GLU A 44 11.227 -1.497 7.282 1.00 0.00 C ATOM 540 CG GLU A 44 11.746 -2.724 6.557 1.00 0.00 C ATOM 541 CD GLU A 44 12.496 -3.668 7.475 1.00 0.00 C ATOM 542 OE1 GLU A 44 12.286 -4.894 7.367 1.00 0.00 O ATOM 543 OE2 GLU A 44 13.298 -3.180 8.299 1.00 0.00 O ATOM 0 H GLU A 44 9.494 -3.312 7.289 1.00 0.00 H new ATOM 0 HA GLU A 44 9.400 -0.450 7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.792 -0.624 6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.408 -1.611 8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.909 -3.254 6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.404 -2.411 5.746 1.00 0.00 H new ATOM 550 N SER A 45 10.257 0.205 5.189 1.00 0.00 N ATOM 551 CA SER A 45 10.140 0.734 3.846 1.00 0.00 C ATOM 552 C SER A 45 11.415 1.445 3.421 1.00 0.00 C ATOM 553 O SER A 45 11.390 2.304 2.540 1.00 0.00 O ATOM 554 CB SER A 45 8.987 1.721 3.794 1.00 0.00 C ATOM 555 OG SER A 45 8.980 2.560 4.936 1.00 0.00 O ATOM 0 H SER A 45 10.949 0.680 5.768 1.00 0.00 H new ATOM 0 HA SER A 45 9.963 -0.099 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.066 2.329 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.043 1.179 3.732 1.00 0.00 H new ATOM 0 HG SER A 45 8.229 3.187 4.877 1.00 0.00 H new ATOM 561 N LYS A 46 12.525 1.107 4.061 1.00 0.00 N ATOM 562 CA LYS A 46 13.785 1.775 3.769 1.00 0.00 C ATOM 563 C LYS A 46 14.992 0.870 4.006 1.00 0.00 C ATOM 564 O LYS A 46 15.133 0.264 5.068 1.00 0.00 O ATOM 565 CB LYS A 46 13.906 3.025 4.639 1.00 0.00 C ATOM 566 CG LYS A 46 13.337 4.280 3.998 1.00 0.00 C ATOM 567 CD LYS A 46 12.473 5.061 4.976 1.00 0.00 C ATOM 568 CE LYS A 46 13.316 5.911 5.913 1.00 0.00 C ATOM 569 NZ LYS A 46 12.682 6.053 7.253 1.00 0.00 N ATOM 0 H LYS A 46 12.580 0.383 4.777 1.00 0.00 H new ATOM 0 HA LYS A 46 13.780 2.042 2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.394 2.848 5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.957 3.193 4.872 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.152 4.912 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.745 4.008 3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.785 5.701 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.866 4.369 5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.302 5.461 6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.464 6.898 5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.287 6.639 7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.751 6.506 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.564 5.113 7.683 1.00 0.00 H new ATOM 583 N SER A 47 15.881 0.826 3.017 1.00 0.00 N ATOM 584 CA SER A 47 17.126 0.072 3.123 1.00 0.00 C ATOM 585 C SER A 47 18.228 0.991 3.616 1.00 0.00 C ATOM 586 O SER A 47 18.227 2.174 3.289 1.00 0.00 O ATOM 587 CB SER A 47 17.520 -0.496 1.757 1.00 0.00 C ATOM 588 OG SER A 47 17.841 -1.867 1.839 1.00 0.00 O ATOM 0 H SER A 47 15.760 1.308 2.126 1.00 0.00 H new ATOM 0 HA SER A 47 16.983 -0.751 3.824 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.700 -0.355 1.053 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.375 0.056 1.365 1.00 0.00 H new ATOM 0 HG SER A 47 18.449 -2.016 2.593 1.00 0.00 H new ATOM 594 N TYR A 48 19.177 0.470 4.391 1.00 0.00 N ATOM 595 CA TYR A 48 20.268 1.335 4.861 1.00 0.00 C ATOM 596 C TYR A 48 21.626 0.824 4.409 1.00 0.00 C ATOM 597 O TYR A 48 22.051 -0.276 4.762 1.00 0.00 O ATOM 598 CB TYR A 48 20.229 1.535 6.380 1.00 0.00 C ATOM 599 CG TYR A 48 18.831 1.507 6.937 1.00 0.00 C ATOM 600 CD1 TYR A 48 18.458 0.585 7.905 1.00 0.00 C ATOM 601 CD2 TYR A 48 17.877 2.395 6.469 1.00 0.00 C ATOM 602 CE1 TYR A 48 17.170 0.560 8.403 1.00 0.00 C ATOM 603 CE2 TYR A 48 16.587 2.380 6.959 1.00 0.00 C ATOM 604 CZ TYR A 48 16.237 1.460 7.927 1.00 0.00 C ATOM 605 OH TYR A 48 14.952 1.439 8.420 1.00 0.00 O ATOM 0 H TYR A 48 19.220 -0.502 4.699 1.00 0.00 H new ATOM 0 HA TYR A 48 20.114 2.311 4.402 1.00 0.00 H new ATOM 0 HB2 TYR A 48 20.822 0.756 6.860 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.695 2.489 6.628 1.00 0.00 H new ATOM 0 HD1 TYR A 48 19.185 -0.123 8.274 1.00 0.00 H new ATOM 0 HD2 TYR A 48 18.147 3.112 5.707 1.00 0.00 H new ATOM 0 HE1 TYR A 48 16.894 -0.159 9.160 1.00 0.00 H new ATOM 0 HE2 TYR A 48 15.856 3.083 6.588 1.00 0.00 H new ATOM 0 HH TYR A 48 14.422 2.137 7.981 1.00 0.00 H new ATOM 615 N CYS A 49 22.291 1.640 3.603 1.00 0.00 N ATOM 616 CA CYS A 49 23.600 1.298 3.068 1.00 0.00 C ATOM 617 C CYS A 49 24.620 1.145 4.182 1.00 0.00 C ATOM 618 O CYS A 49 24.953 2.108 4.873 1.00 0.00 O ATOM 619 CB CYS A 49 24.076 2.369 2.089 1.00 0.00 C ATOM 620 SG CYS A 49 25.631 1.953 1.238 1.00 0.00 S ATOM 0 H CYS A 49 21.941 2.550 3.304 1.00 0.00 H new ATOM 0 HA CYS A 49 23.505 0.347 2.544 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.299 2.537 1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.208 3.307 2.628 1.00 0.00 H new ATOM 625 N GLU A 50 25.123 -0.067 4.340 1.00 0.00 N ATOM 626 CA GLU A 50 26.126 -0.347 5.349 1.00 0.00 C ATOM 627 C GLU A 50 27.129 -1.360 4.825 1.00 0.00 C ATOM 628 O GLU A 50 27.126 -1.690 3.639 1.00 0.00 O ATOM 629 CB GLU A 50 25.468 -0.857 6.629 1.00 0.00 C ATOM 630 CG GLU A 50 25.583 0.117 7.790 1.00 0.00 C ATOM 631 CD GLU A 50 24.332 0.157 8.645 1.00 0.00 C ATOM 632 OE1 GLU A 50 24.364 -0.388 9.769 1.00 0.00 O ATOM 633 OE2 GLU A 50 23.321 0.733 8.193 1.00 0.00 O ATOM 0 H GLU A 50 24.851 -0.875 3.780 1.00 0.00 H new ATOM 0 HA GLU A 50 26.655 0.577 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.414 -1.057 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 50 25.925 -1.805 6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 50 26.434 -0.163 8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.786 1.116 7.403 1.00 0.00 H new ATOM 640 N LEU A 51 27.990 -1.848 5.702 1.00 0.00 N ATOM 641 CA LEU A 51 29.005 -2.800 5.300 1.00 0.00 C ATOM 642 C LEU A 51 28.616 -4.222 5.718 1.00 0.00 C ATOM 643 O LEU A 51 28.069 -4.436 6.799 1.00 0.00 O ATOM 644 CB LEU A 51 30.366 -2.369 5.879 1.00 0.00 C ATOM 645 CG LEU A 51 31.027 -3.332 6.862 1.00 0.00 C ATOM 646 CD1 LEU A 51 32.149 -2.643 7.623 1.00 0.00 C ATOM 647 CD2 LEU A 51 31.544 -4.540 6.107 1.00 0.00 C ATOM 0 H LEU A 51 28.005 -1.601 6.691 1.00 0.00 H new ATOM 0 HA LEU A 51 29.088 -2.811 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 51 31.053 -2.205 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 51 30.235 -1.409 6.378 1.00 0.00 H new ATOM 0 HG LEU A 51 30.289 -3.659 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.605 -3.349 8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 51 32.902 -2.289 6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.745 -1.797 8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.017 -5.230 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 51 30.714 -5.040 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 51 32.274 -4.219 5.363 1.00 0.00 H new ATOM 709 N MET A 57 30.434 -4.408 1.326 1.00 0.00 N ATOM 710 CA MET A 57 29.417 -3.371 1.392 1.00 0.00 C ATOM 711 C MET A 57 28.035 -3.988 1.242 1.00 0.00 C ATOM 712 O MET A 57 27.720 -4.583 0.212 1.00 0.00 O ATOM 713 CB MET A 57 29.642 -2.317 0.305 1.00 0.00 C ATOM 714 CG MET A 57 31.107 -2.054 0.000 1.00 0.00 C ATOM 715 SD MET A 57 31.546 -0.314 0.161 1.00 0.00 S ATOM 716 CE MET A 57 31.410 -0.096 1.933 1.00 0.00 C ATOM 0 HA MET A 57 29.488 -2.882 2.363 1.00 0.00 H new ATOM 0 HB2 MET A 57 29.142 -2.639 -0.609 1.00 0.00 H new ATOM 0 HB3 MET A 57 29.172 -1.384 0.614 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.727 -2.645 0.674 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.329 -2.389 -1.013 1.00 0.00 H new ATOM 0 HE1 MET A 57 30.727 0.726 2.147 1.00 0.00 H new ATOM 0 HE2 MET A 57 31.028 -1.012 2.384 1.00 0.00 H new ATOM 0 HE3 MET A 57 32.392 0.130 2.348 1.00 0.00 H new ATOM 726 N VAL A 58 27.219 -3.866 2.281 1.00 0.00 N ATOM 727 CA VAL A 58 25.901 -4.474 2.277 1.00 0.00 C ATOM 728 C VAL A 58 24.799 -3.426 2.398 1.00 0.00 C ATOM 729 O VAL A 58 25.051 -2.221 2.391 1.00 0.00 O ATOM 730 CB VAL A 58 25.818 -5.566 3.391 1.00 0.00 C ATOM 731 CG1 VAL A 58 25.641 -6.937 2.764 1.00 0.00 C ATOM 732 CG2 VAL A 58 24.770 -5.315 4.479 1.00 0.00 C ATOM 0 H VAL A 58 27.448 -3.353 3.132 1.00 0.00 H new ATOM 0 HA VAL A 58 25.741 -4.965 1.317 1.00 0.00 H new ATOM 0 HB VAL A 58 26.770 -5.515 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 58 25.584 -7.691 3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 58 24.722 -6.953 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 58 26.489 -7.152 2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 58 24.794 -6.130 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 58 24.989 -4.375 4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 58 23.780 -5.261 4.025 1.00 0.00 H new ATOM 742 N TRP A 59 23.579 -3.918 2.473 1.00 0.00 N ATOM 743 CA TRP A 59 22.401 -3.065 2.592 1.00 0.00 C ATOM 744 C TRP A 59 21.487 -3.530 3.723 1.00 0.00 C ATOM 745 O TRP A 59 21.168 -4.715 3.831 1.00 0.00 O ATOM 746 CB TRP A 59 21.619 -3.060 1.278 1.00 0.00 C ATOM 747 CG TRP A 59 22.188 -2.141 0.242 1.00 0.00 C ATOM 748 CD1 TRP A 59 23.076 -2.469 -0.741 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.895 -0.747 0.073 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.357 -1.365 -1.509 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.647 -0.296 -1.028 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.074 0.165 0.746 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.601 1.025 -1.469 1.00 0.00 C ATOM 754 CZ3 TRP A 59 21.034 1.475 0.307 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.788 1.891 -0.790 1.00 0.00 C ATOM 0 H TRP A 59 23.370 -4.916 2.454 1.00 0.00 H new ATOM 0 HA TRP A 59 22.746 -2.056 2.820 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.593 -4.073 0.877 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.588 -2.771 1.480 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.496 -3.452 -0.893 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.991 -1.344 -2.308 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.482 -0.149 1.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.186 1.353 -2.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.408 2.189 0.822 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.729 2.921 -1.111 1.00 0.00 H new ATOM 766 N ASN A 60 21.046 -2.583 4.545 1.00 0.00 N ATOM 767 CA ASN A 60 20.130 -2.881 5.641 1.00 0.00 C ATOM 768 C ASN A 60 18.725 -3.102 5.098 1.00 0.00 C ATOM 769 O ASN A 60 18.467 -2.778 3.946 1.00 0.00 O ATOM 770 CB ASN A 60 20.127 -1.737 6.642 1.00 0.00 C ATOM 771 CG ASN A 60 20.989 -2.015 7.851 1.00 0.00 C ATOM 772 OD1 ASN A 60 20.663 -1.608 8.966 1.00 0.00 O ATOM 773 ND2 ASN A 60 22.088 -2.721 7.644 1.00 0.00 N ATOM 0 H ASN A 60 21.309 -1.600 4.473 1.00 0.00 H new ATOM 0 HA ASN A 60 20.462 -3.789 6.144 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.479 -0.830 6.151 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.104 -1.547 6.967 1.00 0.00 H new ATOM 0 HD21 ASN A 60 22.703 -2.948 8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.320 -3.039 6.703 1.00 0.00 H new ATOM 780 N PRO A 61 17.813 -3.659 5.929 1.00 0.00 N ATOM 781 CA PRO A 61 16.428 -3.967 5.577 1.00 0.00 C ATOM 782 C PRO A 61 15.915 -3.243 4.338 1.00 0.00 C ATOM 783 O PRO A 61 15.446 -2.108 4.413 1.00 0.00 O ATOM 784 CB PRO A 61 15.698 -3.516 6.835 1.00 0.00 C ATOM 785 CG PRO A 61 16.682 -3.731 7.957 1.00 0.00 C ATOM 786 CD PRO A 61 18.036 -4.002 7.332 1.00 0.00 C ATOM 0 HA PRO A 61 16.288 -5.014 5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.402 -2.469 6.765 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.788 -4.095 6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.726 -2.853 8.601 1.00 0.00 H new ATOM 0 HG3 PRO A 61 16.374 -4.569 8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.819 -3.390 7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.337 -5.043 7.452 1.00 0.00 H new ATOM 794 N GLU A 62 15.979 -3.935 3.202 1.00 0.00 N ATOM 795 CA GLU A 62 15.579 -3.360 1.922 1.00 0.00 C ATOM 796 C GLU A 62 14.117 -3.650 1.583 1.00 0.00 C ATOM 797 O GLU A 62 13.272 -2.763 1.671 1.00 0.00 O ATOM 798 CB GLU A 62 16.481 -3.871 0.783 1.00 0.00 C ATOM 799 CG GLU A 62 17.781 -4.518 1.245 1.00 0.00 C ATOM 800 CD GLU A 62 18.914 -4.323 0.258 1.00 0.00 C ATOM 801 OE1 GLU A 62 18.944 -3.268 -0.410 1.00 0.00 O ATOM 802 OE2 GLU A 62 19.772 -5.224 0.152 1.00 0.00 O ATOM 0 H GLU A 62 16.306 -4.899 3.144 1.00 0.00 H new ATOM 0 HA GLU A 62 15.693 -2.281 2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.921 -4.594 0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.720 -3.036 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.068 -4.099 2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.617 -5.585 1.398 1.00 0.00 H new ATOM 809 N ALA A 63 13.835 -4.875 1.145 1.00 0.00 N ATOM 810 CA ALA A 63 12.494 -5.239 0.692 1.00 0.00 C ATOM 811 C ALA A 63 11.597 -5.741 1.823 1.00 0.00 C ATOM 812 O ALA A 63 11.753 -6.868 2.291 1.00 0.00 O ATOM 813 CB ALA A 63 12.590 -6.299 -0.395 1.00 0.00 C ATOM 0 H ALA A 63 14.517 -5.632 1.094 1.00 0.00 H new ATOM 0 HA ALA A 63 12.034 -4.332 0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.588 -6.568 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.161 -5.907 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.089 -7.183 0.002 1.00 0.00 H new ATOM 819 N PRO A 64 10.584 -4.945 2.220 1.00 0.00 N ATOM 820 CA PRO A 64 9.616 -5.336 3.240 1.00 0.00 C ATOM 821 C PRO A 64 8.489 -6.172 2.636 1.00 0.00 C ATOM 822 O PRO A 64 8.666 -6.794 1.588 1.00 0.00 O ATOM 823 CB PRO A 64 9.073 -3.990 3.758 1.00 0.00 C ATOM 824 CG PRO A 64 9.750 -2.927 2.946 1.00 0.00 C ATOM 825 CD PRO A 64 10.282 -3.604 1.717 1.00 0.00 C ATOM 0 HA PRO A 64 10.058 -5.951 4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.990 -3.937 3.644 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.288 -3.866 4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.049 -2.136 2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.556 -2.461 3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.548 -3.625 0.912 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.169 -3.105 1.327 1.00 0.00 H new ATOM 833 N ILE A 65 7.325 -6.165 3.277 1.00 0.00 N ATOM 834 CA ILE A 65 6.176 -6.907 2.771 1.00 0.00 C ATOM 835 C ILE A 65 5.337 -6.041 1.841 1.00 0.00 C ATOM 836 O ILE A 65 5.482 -4.821 1.813 1.00 0.00 O ATOM 837 CB ILE A 65 5.280 -7.417 3.908 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.126 -7.875 5.097 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.390 -8.545 3.417 1.00 0.00 C ATOM 840 CD1 ILE A 65 6.844 -9.186 4.863 1.00 0.00 C ATOM 0 H ILE A 65 7.153 -5.656 4.144 1.00 0.00 H new ATOM 0 HA ILE A 65 6.574 -7.762 2.224 1.00 0.00 H new ATOM 0 HB ILE A 65 4.644 -6.596 4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.861 -7.104 5.327 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.484 -7.974 5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.761 -8.895 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.760 -8.184 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.009 -9.367 3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.423 -9.447 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.114 -9.970 4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.513 -9.087 4.008 1.00 0.00 H new ATOM 852 N CYS A 66 4.446 -6.678 1.095 1.00 0.00 N ATOM 853 CA CYS A 66 3.577 -5.964 0.170 1.00 0.00 C ATOM 854 C CYS A 66 2.397 -6.831 -0.253 1.00 0.00 C ATOM 855 O CYS A 66 2.551 -8.024 -0.513 1.00 0.00 O ATOM 856 CB CYS A 66 4.363 -5.528 -1.065 1.00 0.00 C ATOM 857 SG CYS A 66 4.927 -3.796 -1.018 1.00 0.00 S ATOM 0 H CYS A 66 4.306 -7.688 1.112 1.00 0.00 H new ATOM 0 HA CYS A 66 3.193 -5.083 0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.231 -6.178 -1.178 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.740 -5.672 -1.948 1.00 0.00 H new ATOM 862 N GLU A 67 1.222 -6.218 -0.335 1.00 0.00 N ATOM 863 CA GLU A 67 0.016 -6.931 -0.733 1.00 0.00 C ATOM 864 C GLU A 67 -1.052 -5.959 -1.221 1.00 0.00 C ATOM 865 O GLU A 67 -0.906 -4.744 -1.089 1.00 0.00 O ATOM 866 CB GLU A 67 -0.523 -7.751 0.439 1.00 0.00 C ATOM 867 CG GLU A 67 -0.842 -9.192 0.077 1.00 0.00 C ATOM 868 CD GLU A 67 0.231 -10.160 0.536 1.00 0.00 C ATOM 869 OE1 GLU A 67 0.064 -10.762 1.617 1.00 0.00 O ATOM 870 OE2 GLU A 67 1.238 -10.314 -0.186 1.00 0.00 O ATOM 0 H GLU A 67 1.080 -5.229 -0.131 1.00 0.00 H new ATOM 0 HA GLU A 67 0.272 -7.603 -1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.210 -7.741 1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.425 -7.273 0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.795 -9.473 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.961 -9.273 -1.003 1.00 0.00 H new ATOM 877 N SER A 68 -2.125 -6.502 -1.786 1.00 0.00 N ATOM 878 CA SER A 68 -3.221 -5.684 -2.289 1.00 0.00 C ATOM 879 C SER A 68 -4.167 -5.289 -1.163 1.00 0.00 C ATOM 880 O SER A 68 -4.797 -6.140 -0.536 1.00 0.00 O ATOM 881 CB SER A 68 -3.990 -6.436 -3.378 1.00 0.00 C ATOM 882 OG SER A 68 -4.933 -7.331 -2.814 1.00 0.00 O ATOM 0 H SER A 68 -2.259 -7.506 -1.907 1.00 0.00 H new ATOM 0 HA SER A 68 -2.796 -4.776 -2.716 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.503 -5.723 -4.024 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.290 -6.988 -4.005 1.00 0.00 H new ATOM 0 HG SER A 68 -5.050 -7.127 -1.863 1.00 0.00 H new ATOM 888 N VAL A 69 -4.260 -3.987 -0.915 1.00 0.00 N ATOM 889 CA VAL A 69 -5.132 -3.460 0.130 1.00 0.00 C ATOM 890 C VAL A 69 -6.519 -4.092 0.065 1.00 0.00 C ATOM 891 O VAL A 69 -7.390 -3.626 -0.670 1.00 0.00 O ATOM 892 CB VAL A 69 -5.278 -1.930 0.024 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.348 -1.499 -1.432 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.136 -1.229 0.741 1.00 0.00 C ATOM 0 H VAL A 69 -3.740 -3.274 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.664 -3.711 1.082 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.210 -1.641 0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.451 -0.415 -1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.436 -1.803 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.207 -1.969 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.259 -0.150 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.140 -1.510 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.188 -1.524 0.291 1.00 0.00 H new ATOM 904 N LYS A 70 -6.717 -5.154 0.837 1.00 0.00 N ATOM 905 CA LYS A 70 -7.996 -5.853 0.864 1.00 0.00 C ATOM 906 C LYS A 70 -9.054 -5.032 1.594 1.00 0.00 C ATOM 907 O LYS A 70 -8.912 -4.734 2.780 1.00 0.00 O ATOM 908 CB LYS A 70 -7.837 -7.215 1.541 1.00 0.00 C ATOM 909 CG LYS A 70 -7.438 -8.326 0.585 1.00 0.00 C ATOM 910 CD LYS A 70 -8.629 -9.194 0.212 1.00 0.00 C ATOM 911 CE LYS A 70 -8.586 -9.604 -1.250 1.00 0.00 C ATOM 912 NZ LYS A 70 -8.787 -11.069 -1.423 1.00 0.00 N ATOM 0 H LYS A 70 -6.007 -5.550 1.453 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.324 -5.998 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.085 -7.136 2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.776 -7.483 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.005 -7.893 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.666 -8.943 1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.642 -10.085 0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.553 -8.650 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.356 -9.065 -1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.626 -9.316 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.751 -11.307 -2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.037 -11.584 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.714 -11.340 -1.037 1.00 0.00 H new ATOM 926 N CYS A 71 -10.115 -4.668 0.879 1.00 0.00 N ATOM 927 CA CYS A 71 -11.205 -3.896 1.469 1.00 0.00 C ATOM 928 C CYS A 71 -12.356 -4.816 1.853 1.00 0.00 C ATOM 929 O CYS A 71 -12.959 -5.463 0.997 1.00 0.00 O ATOM 930 CB CYS A 71 -11.717 -2.798 0.518 1.00 0.00 C ATOM 931 SG CYS A 71 -10.803 -2.619 -1.054 1.00 0.00 S ATOM 0 H CYS A 71 -10.243 -4.894 -0.107 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.809 -3.409 2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.763 -3.002 0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.687 -1.844 1.045 1.00 0.00 H new ATOM 936 N GLN A 72 -12.652 -4.872 3.144 1.00 0.00 N ATOM 937 CA GLN A 72 -13.726 -5.718 3.641 1.00 0.00 C ATOM 938 C GLN A 72 -15.085 -5.174 3.210 1.00 0.00 C ATOM 939 O GLN A 72 -15.181 -4.409 2.250 1.00 0.00 O ATOM 940 CB GLN A 72 -13.646 -5.823 5.167 1.00 0.00 C ATOM 941 CG GLN A 72 -14.157 -4.592 5.900 1.00 0.00 C ATOM 942 CD GLN A 72 -13.099 -3.952 6.778 1.00 0.00 C ATOM 943 OE1 GLN A 72 -13.062 -4.174 7.988 1.00 0.00 O ATOM 944 NE2 GLN A 72 -12.232 -3.150 6.170 1.00 0.00 N ATOM 0 H GLN A 72 -12.163 -4.342 3.865 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.611 -6.714 3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.220 -6.691 5.492 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -12.610 -6.000 5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.510 -3.861 5.172 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.014 -4.869 6.514 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.300 -2.994 5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.498 -2.690 6.709 1.00 0.00 H new ATOM 953 N SER A 73 -16.133 -5.571 3.923 1.00 0.00 N ATOM 954 CA SER A 73 -17.483 -5.122 3.609 1.00 0.00 C ATOM 955 C SER A 73 -17.531 -3.602 3.456 1.00 0.00 C ATOM 956 O SER A 73 -16.887 -2.876 4.213 1.00 0.00 O ATOM 957 CB SER A 73 -18.450 -5.567 4.707 1.00 0.00 C ATOM 958 OG SER A 73 -19.580 -4.716 4.766 1.00 0.00 O ATOM 0 H SER A 73 -16.073 -6.202 4.722 1.00 0.00 H new ATOM 0 HA SER A 73 -17.782 -5.571 2.662 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.772 -6.591 4.519 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.938 -5.565 5.669 1.00 0.00 H new ATOM 0 HG SER A 73 -19.725 -4.429 5.692 1.00 0.00 H new ATOM 964 N PRO A 74 -18.293 -3.097 2.469 1.00 0.00 N ATOM 965 CA PRO A 74 -18.413 -1.655 2.227 1.00 0.00 C ATOM 966 C PRO A 74 -18.991 -0.917 3.433 1.00 0.00 C ATOM 967 O PRO A 74 -19.607 -1.525 4.308 1.00 0.00 O ATOM 968 CB PRO A 74 -19.361 -1.556 1.024 1.00 0.00 C ATOM 969 CG PRO A 74 -19.355 -2.913 0.404 1.00 0.00 C ATOM 970 CD PRO A 74 -19.095 -3.885 1.518 1.00 0.00 C ATOM 0 HA PRO A 74 -17.443 -1.193 2.046 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.365 -1.271 1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -19.021 -0.799 0.317 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.309 -3.123 -0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.584 -2.986 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.022 -4.239 1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.555 -4.765 1.168 1.00 0.00 H new ATOM 978 N PRO A 75 -18.785 0.410 3.502 1.00 0.00 N ATOM 979 CA PRO A 75 -19.268 1.231 4.613 1.00 0.00 C ATOM 980 C PRO A 75 -20.682 0.867 5.046 1.00 0.00 C ATOM 981 O PRO A 75 -21.460 0.312 4.270 1.00 0.00 O ATOM 982 CB PRO A 75 -19.235 2.643 4.037 1.00 0.00 C ATOM 983 CG PRO A 75 -18.124 2.621 3.044 1.00 0.00 C ATOM 984 CD PRO A 75 -18.052 1.214 2.506 1.00 0.00 C ATOM 0 HA PRO A 75 -18.662 1.099 5.509 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -20.183 2.900 3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.055 3.384 4.816 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.309 3.334 2.240 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.181 2.905 3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.510 1.141 1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.020 0.878 2.404 1.00 0.00 H new ATOM 992 N SER A 76 -21.006 1.191 6.293 1.00 0.00 N ATOM 993 CA SER A 76 -22.329 0.922 6.837 1.00 0.00 C ATOM 994 C SER A 76 -23.101 2.222 7.026 1.00 0.00 C ATOM 995 O SER A 76 -23.024 2.855 8.079 1.00 0.00 O ATOM 996 CB SER A 76 -22.216 0.182 8.171 1.00 0.00 C ATOM 997 OG SER A 76 -22.134 -1.219 7.974 1.00 0.00 O ATOM 0 H SER A 76 -20.367 1.642 6.947 1.00 0.00 H new ATOM 0 HA SER A 76 -22.870 0.293 6.130 1.00 0.00 H new ATOM 0 HB2 SER A 76 -21.333 0.529 8.709 1.00 0.00 H new ATOM 0 HB3 SER A 76 -23.080 0.415 8.793 1.00 0.00 H new ATOM 0 HG SER A 76 -22.061 -1.668 8.842 1.00 0.00 H new ATOM 1003 N ILE A 77 -23.843 2.616 5.998 1.00 0.00 N ATOM 1004 CA ILE A 77 -24.609 3.857 6.040 1.00 0.00 C ATOM 1005 C ILE A 77 -25.773 3.759 7.016 1.00 0.00 C ATOM 1006 O ILE A 77 -26.078 2.684 7.534 1.00 0.00 O ATOM 1007 CB ILE A 77 -25.155 4.231 4.649 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -26.152 3.176 4.162 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -24.011 4.390 3.662 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.067 3.671 3.064 1.00 0.00 C ATOM 0 H ILE A 77 -23.931 2.095 5.125 1.00 0.00 H new ATOM 0 HA ILE A 77 -23.922 4.634 6.376 1.00 0.00 H new ATOM 0 HB ILE A 77 -25.680 5.183 4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.602 2.307 3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -26.757 2.843 5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -24.410 4.654 2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -23.341 5.178 4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.461 3.452 3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.746 2.871 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -27.644 4.521 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.471 3.977 2.204 1.00 0.00 H new ATOM 1022 N SER A 78 -26.417 4.893 7.264 1.00 0.00 N ATOM 1023 CA SER A 78 -27.554 4.942 8.172 1.00 0.00 C ATOM 1024 C SER A 78 -28.853 4.696 7.418 1.00 0.00 C ATOM 1025 O SER A 78 -29.034 5.175 6.299 1.00 0.00 O ATOM 1026 CB SER A 78 -27.612 6.298 8.879 1.00 0.00 C ATOM 1027 OG SER A 78 -26.313 6.758 9.208 1.00 0.00 O ATOM 0 H SER A 78 -26.170 5.791 6.848 1.00 0.00 H new ATOM 0 HA SER A 78 -27.429 4.157 8.918 1.00 0.00 H new ATOM 0 HB2 SER A 78 -28.107 7.026 8.236 1.00 0.00 H new ATOM 0 HB3 SER A 78 -28.212 6.214 9.785 1.00 0.00 H new ATOM 0 HG SER A 78 -26.378 7.627 9.657 1.00 0.00 H new ATOM 1033 N ASN A 79 -29.750 3.938 8.034 1.00 0.00 N ATOM 1034 CA ASN A 79 -31.031 3.629 7.420 1.00 0.00 C ATOM 1035 C ASN A 79 -30.836 2.885 6.105 1.00 0.00 C ATOM 1036 O ASN A 79 -31.664 2.977 5.199 1.00 0.00 O ATOM 1037 CB ASN A 79 -31.828 4.912 7.182 1.00 0.00 C ATOM 1038 CG ASN A 79 -31.661 5.918 8.301 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -32.208 5.749 9.390 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -30.908 6.976 8.036 1.00 0.00 N ATOM 0 H ASN A 79 -29.613 3.527 8.957 1.00 0.00 H new ATOM 0 HA ASN A 79 -31.588 2.986 8.101 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -31.510 5.364 6.242 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -32.884 4.665 7.076 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -30.763 7.691 8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -30.473 7.076 7.119 1.00 0.00 H new ATOM 1047 N GLY A 80 -29.744 2.134 6.013 1.00 0.00 N ATOM 1048 CA GLY A 80 -29.472 1.375 4.808 1.00 0.00 C ATOM 1049 C GLY A 80 -28.399 0.323 5.001 1.00 0.00 C ATOM 1050 O GLY A 80 -28.044 -0.014 6.131 1.00 0.00 O ATOM 0 H GLY A 80 -29.045 2.038 6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.390 0.892 4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.165 2.058 4.016 1.00 0.00 H new ATOM 1054 N ARG A 81 -27.894 -0.206 3.892 1.00 0.00 N ATOM 1055 CA ARG A 81 -26.864 -1.234 3.931 1.00 0.00 C ATOM 1056 C ARG A 81 -26.263 -1.450 2.549 1.00 0.00 C ATOM 1057 O ARG A 81 -26.601 -0.748 1.596 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.439 -2.551 4.458 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.876 -2.814 4.031 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.566 -3.781 4.979 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.199 -4.889 4.269 1.00 0.00 N ATOM 1062 CZ ARG A 81 -31.074 -5.718 4.830 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -31.416 -5.564 6.102 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -31.607 -6.703 4.120 1.00 0.00 N ATOM 0 H ARG A 81 -28.184 0.063 2.952 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.077 -0.896 4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.812 -3.373 4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.389 -2.547 5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.427 -1.874 4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.888 -3.221 3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -28.838 -4.174 5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -30.318 -3.245 5.558 1.00 0.00 H new ATOM 0 HE ARG A 81 -29.957 -5.035 3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -31.008 -4.808 6.652 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -32.088 -6.201 6.530 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -31.346 -6.826 3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -32.278 -7.338 4.552 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.371 -2.426 2.449 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.712 -2.730 1.186 1.00 0.00 C ATOM 1080 C HIS A 82 -25.093 -4.120 0.688 1.00 0.00 C ATOM 1081 O HIS A 82 -25.689 -4.911 1.418 1.00 0.00 O ATOM 1082 CB HIS A 82 -23.198 -2.638 1.349 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.693 -3.332 2.574 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.519 -4.699 2.646 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.343 -2.846 3.788 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.075 -5.021 3.847 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -21.962 -3.915 4.559 1.00 0.00 N ATOM 0 H HIS A 82 -25.087 -3.021 3.227 1.00 0.00 H new ATOM 0 HA HIS A 82 -25.042 -1.998 0.449 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.718 -3.070 0.471 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.907 -1.588 1.388 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.360 -1.810 4.093 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.844 -6.019 4.189 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -21.643 -3.864 5.526 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.737 -4.412 -0.560 1.00 0.00 N ATOM 1097 CA ASN A 83 -25.033 -5.711 -1.153 1.00 0.00 C ATOM 1098 C ASN A 83 -23.853 -6.664 -0.983 1.00 0.00 C ATOM 1099 O ASN A 83 -23.805 -7.441 -0.030 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.374 -5.551 -2.636 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.755 -4.964 -2.852 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -27.540 -4.832 -1.913 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -27.058 -4.606 -4.095 1.00 0.00 N ATOM 0 H ASN A 83 -24.244 -3.768 -1.178 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.894 -6.135 -0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.631 -4.909 -3.109 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -25.314 -6.523 -3.126 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -27.972 -4.204 -4.301 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -26.376 -4.733 -4.843 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.588 -10.110 0.971 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.541 -9.106 0.834 1.00 0.00 C ATOM 1167 C PHE A 88 -13.565 -8.471 -0.553 1.00 0.00 C ATOM 1168 O PHE A 88 -14.260 -8.945 -1.452 1.00 0.00 O ATOM 1169 CB PHE A 88 -12.172 -9.736 1.090 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.732 -9.656 2.519 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -10.969 -8.589 2.956 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -12.072 -10.650 3.422 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -10.556 -8.509 4.269 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -11.662 -10.575 4.738 1.00 0.00 C ATOM 1175 CZ PHE A 88 -10.902 -9.503 5.163 1.00 0.00 C ATOM 0 HA PHE A 88 -13.725 -8.325 1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.200 -10.782 0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.431 -9.241 0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.693 -7.810 2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.664 -11.492 3.093 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.962 -7.669 4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.935 -11.354 5.435 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.579 -9.442 6.192 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.796 -7.399 -0.719 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.718 -6.700 -1.996 1.00 0.00 C ATOM 1187 C TYR A 89 -11.322 -6.119 -2.206 1.00 0.00 C ATOM 1188 O TYR A 89 -10.511 -6.084 -1.280 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.767 -5.588 -2.059 1.00 0.00 C ATOM 1190 CG TYR A 89 -15.183 -6.077 -1.849 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -16.052 -6.223 -2.923 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.650 -6.393 -0.579 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -17.347 -6.668 -2.737 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -16.944 -6.834 -0.385 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.787 -6.971 -1.466 1.00 0.00 C ATOM 1196 OH TYR A 89 -19.074 -7.415 -1.276 1.00 0.00 O ATOM 0 H TYR A 89 -12.217 -6.995 0.017 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.918 -7.417 -2.792 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.535 -4.838 -1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.702 -5.094 -3.028 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -15.710 -5.985 -3.919 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -14.990 -6.292 0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -18.010 -6.778 -3.582 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -17.294 -7.070 0.609 1.00 0.00 H new ATOM 0 HH TYR A 89 -19.224 -7.585 -0.323 1.00 0.00 H new ATOM 1206 N THR A 90 -11.042 -5.671 -3.427 1.00 0.00 N ATOM 1207 CA THR A 90 -9.732 -5.114 -3.750 1.00 0.00 C ATOM 1208 C THR A 90 -9.854 -3.866 -4.620 1.00 0.00 C ATOM 1209 O THR A 90 -10.955 -3.392 -4.897 1.00 0.00 O ATOM 1210 CB THR A 90 -8.880 -6.165 -4.463 1.00 0.00 C ATOM 1211 OG1 THR A 90 -9.619 -6.793 -5.495 1.00 0.00 O ATOM 1212 CG2 THR A 90 -8.371 -7.246 -3.537 1.00 0.00 C ATOM 0 H THR A 90 -11.701 -5.683 -4.205 1.00 0.00 H new ATOM 0 HA THR A 90 -9.250 -4.826 -2.816 1.00 0.00 H new ATOM 0 HB THR A 90 -8.025 -5.622 -4.866 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.057 -7.461 -5.940 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.774 -7.960 -4.105 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.756 -6.797 -2.757 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.216 -7.762 -3.081 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.710 -3.336 -5.044 1.00 0.00 N ATOM 1221 CA ASP A 91 -8.678 -2.144 -5.878 1.00 0.00 C ATOM 1222 C ASP A 91 -9.340 -2.399 -7.218 1.00 0.00 C ATOM 1223 O ASP A 91 -8.719 -2.907 -8.152 1.00 0.00 O ATOM 1224 CB ASP A 91 -7.241 -1.674 -6.093 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.625 -1.096 -4.835 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -5.945 -1.849 -4.107 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -6.822 0.111 -4.577 1.00 0.00 O ATOM 0 H ASP A 91 -7.791 -3.717 -4.821 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.233 -1.362 -5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.636 -2.512 -6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.222 -0.922 -6.882 1.00 0.00 H new ATOM 1232 N GLY A 92 -10.604 -2.029 -7.301 1.00 0.00 N ATOM 1233 CA GLY A 92 -11.345 -2.189 -8.534 1.00 0.00 C ATOM 1234 C GLY A 92 -12.623 -2.985 -8.360 1.00 0.00 C ATOM 1235 O GLY A 92 -13.100 -3.613 -9.306 1.00 0.00 O ATOM 0 H GLY A 92 -11.135 -1.618 -6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.588 -1.205 -8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.712 -2.685 -9.270 1.00 0.00 H new ATOM 1239 N SER A 93 -13.187 -2.961 -7.156 1.00 0.00 N ATOM 1240 CA SER A 93 -14.430 -3.677 -6.890 1.00 0.00 C ATOM 1241 C SER A 93 -15.585 -2.697 -6.723 1.00 0.00 C ATOM 1242 O SER A 93 -15.374 -1.525 -6.418 1.00 0.00 O ATOM 1243 CB SER A 93 -14.295 -4.550 -5.641 1.00 0.00 C ATOM 1244 OG SER A 93 -12.936 -4.728 -5.285 1.00 0.00 O ATOM 0 H SER A 93 -12.806 -2.458 -6.355 1.00 0.00 H new ATOM 0 HA SER A 93 -14.639 -4.323 -7.743 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.833 -4.090 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.757 -5.521 -5.821 1.00 0.00 H new ATOM 0 HG SER A 93 -12.593 -3.904 -4.880 1.00 0.00 H new ATOM 1250 N VAL A 94 -16.804 -3.176 -6.940 1.00 0.00 N ATOM 1251 CA VAL A 94 -17.979 -2.327 -6.827 1.00 0.00 C ATOM 1252 C VAL A 94 -19.099 -3.025 -6.061 1.00 0.00 C ATOM 1253 O VAL A 94 -19.208 -4.251 -6.069 1.00 0.00 O ATOM 1254 CB VAL A 94 -18.491 -1.896 -8.218 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -17.433 -1.076 -8.938 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -19.790 -1.109 -8.105 1.00 0.00 C ATOM 0 H VAL A 94 -17.002 -4.144 -7.194 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.679 -1.439 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.693 -2.796 -8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.807 -0.779 -9.918 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.202 -0.186 -8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.530 -1.674 -9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -20.127 -0.819 -9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -20.551 -1.729 -7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -19.623 -0.216 -7.503 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.929 -2.223 -5.406 1.00 0.00 N ATOM 1267 CA VAL A 95 -21.058 -2.736 -4.640 1.00 0.00 C ATOM 1268 C VAL A 95 -22.214 -1.747 -4.672 1.00 0.00 C ATOM 1269 O VAL A 95 -22.005 -0.536 -4.744 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.675 -3.007 -3.175 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.787 -3.752 -2.455 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -19.374 -3.786 -3.100 1.00 0.00 C ATOM 0 H VAL A 95 -19.840 -1.207 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 95 -21.358 -3.676 -5.102 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.532 -2.048 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.494 -3.933 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.698 -3.154 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.968 -4.705 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -19.119 -3.968 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -19.490 -4.739 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.578 -3.211 -3.573 1.00 0.00 H new ATOM 1282 N THR A 96 -23.432 -2.266 -4.628 1.00 0.00 N ATOM 1283 CA THR A 96 -24.614 -1.422 -4.653 1.00 0.00 C ATOM 1284 C THR A 96 -25.283 -1.387 -3.288 1.00 0.00 C ATOM 1285 O THR A 96 -25.587 -2.426 -2.703 1.00 0.00 O ATOM 1286 CB THR A 96 -25.595 -1.912 -5.715 1.00 0.00 C ATOM 1287 OG1 THR A 96 -25.303 -3.247 -6.091 1.00 0.00 O ATOM 1288 CG2 THR A 96 -25.579 -1.067 -6.968 1.00 0.00 C ATOM 0 H THR A 96 -23.626 -3.266 -4.575 1.00 0.00 H new ATOM 0 HA THR A 96 -24.304 -0.408 -4.906 1.00 0.00 H new ATOM 0 HB THR A 96 -26.582 -1.841 -5.257 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.944 -3.543 -6.771 1.00 0.00 H new ATOM 0 HG21 THR A 96 -26.297 -1.466 -7.685 1.00 0.00 H new ATOM 0 HG22 THR A 96 -25.847 -0.041 -6.718 1.00 0.00 H new ATOM 0 HG23 THR A 96 -24.581 -1.085 -7.406 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.487 -0.180 -2.778 1.00 0.00 N ATOM 1297 CA TYR A 97 -26.095 0.005 -1.468 1.00 0.00 C ATOM 1298 C TYR A 97 -27.614 -0.030 -1.555 1.00 0.00 C ATOM 1299 O TYR A 97 -28.189 0.098 -2.636 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.642 1.332 -0.863 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.326 1.253 -0.128 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -23.230 0.618 -0.696 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.172 1.840 1.121 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -22.022 0.556 -0.035 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -22.964 1.781 1.789 1.00 0.00 C ATOM 1306 CZ TYR A 97 -21.893 1.138 1.207 1.00 0.00 C ATOM 1307 OH TYR A 97 -20.689 1.080 1.869 1.00 0.00 O ATOM 0 H TYR A 97 -25.239 0.688 -3.253 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.771 -0.816 -0.828 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.559 2.073 -1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.410 1.687 -0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -23.325 0.165 -1.672 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.008 2.350 1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -21.181 0.053 -0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -22.860 2.237 2.763 1.00 0.00 H new ATOM 0 HH TYR A 97 -20.767 0.476 2.637 1.00 0.00 H new ATOM 1317 N SER A 98 -28.260 -0.190 -0.406 1.00 0.00 N ATOM 1318 CA SER A 98 -29.719 -0.239 -0.354 1.00 0.00 C ATOM 1319 C SER A 98 -30.243 0.142 1.029 1.00 0.00 C ATOM 1320 O SER A 98 -29.643 -0.201 2.047 1.00 0.00 O ATOM 1321 CB SER A 98 -30.212 -1.638 -0.727 1.00 0.00 C ATOM 1322 OG SER A 98 -29.799 -1.994 -2.035 1.00 0.00 O ATOM 0 H SER A 98 -27.800 -0.288 0.499 1.00 0.00 H new ATOM 0 HA SER A 98 -30.102 0.486 -1.073 1.00 0.00 H new ATOM 0 HB2 SER A 98 -29.828 -2.365 -0.011 1.00 0.00 H new ATOM 0 HB3 SER A 98 -31.300 -1.672 -0.664 1.00 0.00 H new ATOM 0 HG SER A 98 -30.126 -2.893 -2.248 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.374 0.844 1.054 1.00 0.00 N ATOM 1329 CA CYS A 99 -31.993 1.257 2.309 1.00 0.00 C ATOM 1330 C CYS A 99 -32.652 0.068 3.001 1.00 0.00 C ATOM 1331 O CYS A 99 -32.988 -0.926 2.356 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.026 2.353 2.056 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.351 3.827 1.223 1.00 0.00 S ATOM 0 H CYS A 99 -31.880 1.138 0.218 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.213 1.650 2.961 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.834 1.944 1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.462 2.654 3.008 1.00 0.00 H new ATOM 1338 N ASN A 100 -32.840 0.174 4.313 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.428 -0.906 5.084 1.00 0.00 C ATOM 1340 C ASN A 100 -34.930 -0.711 5.256 1.00 0.00 C ATOM 1341 O ASN A 100 -35.733 -1.573 4.899 1.00 0.00 O ATOM 1342 CB ASN A 100 -32.707 -1.008 6.439 1.00 0.00 C ATOM 1343 CG ASN A 100 -33.338 -0.233 7.584 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -34.344 -0.654 8.155 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -32.753 0.911 7.914 1.00 0.00 N ATOM 0 H ASN A 100 -32.592 0.998 4.860 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.298 -1.845 4.545 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -32.654 -2.059 6.723 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -31.682 -0.660 6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -33.136 1.481 8.669 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -31.920 1.221 7.413 1.00 0.00 H new ATOM 1352 N SER A 101 -35.287 0.438 5.792 1.00 0.00 N ATOM 1353 CA SER A 101 -36.684 0.774 6.046 1.00 0.00 C ATOM 1354 C SER A 101 -37.412 1.140 4.756 1.00 0.00 C ATOM 1355 O SER A 101 -38.640 1.091 4.693 1.00 0.00 O ATOM 1356 CB SER A 101 -36.776 1.933 7.041 1.00 0.00 C ATOM 1357 OG SER A 101 -38.073 2.019 7.605 1.00 0.00 O ATOM 0 H SER A 101 -34.626 1.165 6.065 1.00 0.00 H new ATOM 0 HA SER A 101 -37.166 -0.107 6.470 1.00 0.00 H new ATOM 0 HB2 SER A 101 -36.040 1.796 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 101 -36.532 2.869 6.538 1.00 0.00 H new ATOM 0 HG SER A 101 -38.105 2.766 8.238 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.652 1.513 3.732 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.251 1.889 2.466 1.00 0.00 C ATOM 1365 C GLY A 102 -36.958 3.328 2.092 1.00 0.00 C ATOM 1366 O GLY A 102 -37.739 3.966 1.386 1.00 0.00 O ATOM 0 H GLY A 102 -35.633 1.561 3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.879 1.230 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.330 1.743 2.520 1.00 0.00 H new ATOM 1370 N TYR A 103 -35.826 3.840 2.565 1.00 0.00 N ATOM 1371 CA TYR A 103 -35.424 5.204 2.283 1.00 0.00 C ATOM 1372 C TYR A 103 -35.041 5.364 0.820 1.00 0.00 C ATOM 1373 O TYR A 103 -35.088 4.411 0.042 1.00 0.00 O ATOM 1374 CB TYR A 103 -34.235 5.587 3.167 1.00 0.00 C ATOM 1375 CG TYR A 103 -34.631 6.126 4.522 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -34.698 5.287 5.626 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -34.931 7.471 4.698 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -35.057 5.773 6.869 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -35.291 7.965 5.938 1.00 0.00 C ATOM 1380 CZ TYR A 103 -35.353 7.112 7.020 1.00 0.00 C ATOM 1381 OH TYR A 103 -35.710 7.599 8.256 1.00 0.00 O ATOM 0 H TYR A 103 -35.170 3.322 3.149 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.267 5.861 2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -33.601 4.712 3.306 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -33.636 6.336 2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -34.466 4.238 5.512 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -34.882 8.141 3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -35.106 5.108 7.718 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -35.522 9.013 6.059 1.00 0.00 H new ATOM 0 HH TYR A 103 -35.885 8.561 8.191 1.00 0.00 H new ATOM 1391 N SER A 104 -34.654 6.576 0.458 1.00 0.00 N ATOM 1392 CA SER A 104 -34.217 6.869 -0.900 1.00 0.00 C ATOM 1393 C SER A 104 -32.707 7.040 -0.933 1.00 0.00 C ATOM 1394 O SER A 104 -32.185 8.110 -0.619 1.00 0.00 O ATOM 1395 CB SER A 104 -34.898 8.131 -1.427 1.00 0.00 C ATOM 1396 OG SER A 104 -36.144 8.347 -0.786 1.00 0.00 O ATOM 0 H SER A 104 -34.633 7.378 1.088 1.00 0.00 H new ATOM 0 HA SER A 104 -34.498 6.033 -1.541 1.00 0.00 H new ATOM 0 HB2 SER A 104 -34.249 8.992 -1.266 1.00 0.00 H new ATOM 0 HB3 SER A 104 -35.050 8.043 -2.503 1.00 0.00 H new ATOM 0 HG SER A 104 -35.991 8.678 0.124 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.008 5.970 -1.288 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.557 5.979 -1.310 1.00 0.00 C ATOM 1404 C LEU A 105 -30.008 7.201 -2.021 1.00 0.00 C ATOM 1405 O LEU A 105 -30.383 7.512 -3.152 1.00 0.00 O ATOM 1406 CB LEU A 105 -30.011 4.715 -1.951 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.741 4.193 -1.287 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.043 2.966 -0.447 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.679 3.897 -2.324 1.00 0.00 C ATOM 0 H LEU A 105 -32.428 5.083 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.227 6.018 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.776 3.939 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.807 4.911 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.355 4.967 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.124 2.609 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.766 3.224 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -29.456 2.183 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.781 3.526 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -28.049 3.143 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.441 4.809 -2.872 1.00 0.00 H new ATOM 1421 N ILE A 106 -29.098 7.872 -1.341 1.00 0.00 N ATOM 1422 CA ILE A 106 -28.463 9.065 -1.860 1.00 0.00 C ATOM 1423 C ILE A 106 -26.985 8.809 -2.133 1.00 0.00 C ATOM 1424 O ILE A 106 -26.398 7.882 -1.579 1.00 0.00 O ATOM 1425 CB ILE A 106 -28.598 10.219 -0.855 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -30.072 10.497 -0.564 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -27.908 11.467 -1.376 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -30.836 11.034 -1.753 1.00 0.00 C ATOM 0 H ILE A 106 -28.778 7.603 -0.410 1.00 0.00 H new ATOM 0 HA ILE A 106 -28.959 9.334 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 106 -28.111 9.928 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -30.546 9.576 -0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -30.143 11.212 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -28.015 12.272 -0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -26.850 11.259 -1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -28.363 11.767 -2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -31.874 11.207 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -30.388 11.972 -2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -30.797 10.310 -2.567 1.00 0.00 H new ATOM 1440 N GLY A 107 -26.387 9.633 -2.987 1.00 0.00 N ATOM 1441 CA GLY A 107 -24.976 9.479 -3.293 1.00 0.00 C ATOM 1442 C GLY A 107 -24.669 8.199 -4.034 1.00 0.00 C ATOM 1443 O GLY A 107 -23.602 7.614 -3.860 1.00 0.00 O ATOM 0 H GLY A 107 -26.851 10.402 -3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -24.645 10.327 -3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -24.404 9.501 -2.365 1.00 0.00 H new ATOM 1447 N ASN A 108 -25.630 7.778 -4.836 1.00 0.00 N ATOM 1448 CA ASN A 108 -25.536 6.571 -5.666 1.00 0.00 C ATOM 1449 C ASN A 108 -25.127 5.328 -4.872 1.00 0.00 C ATOM 1450 O ASN A 108 -24.143 5.327 -4.137 1.00 0.00 O ATOM 1451 CB ASN A 108 -24.578 6.796 -6.836 1.00 0.00 C ATOM 1452 CG ASN A 108 -23.149 7.036 -6.397 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -22.359 6.100 -6.271 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -22.810 8.298 -6.159 1.00 0.00 N ATOM 0 H ASN A 108 -26.518 8.269 -4.937 1.00 0.00 H new ATOM 0 HA ASN A 108 -26.538 6.381 -6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -24.608 5.928 -7.495 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -24.921 7.651 -7.419 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -21.862 8.523 -5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -23.498 9.042 -6.277 1.00 0.00 H new ATOM 1461 N SER A 109 -25.884 4.253 -5.067 1.00 0.00 N ATOM 1462 CA SER A 109 -25.624 2.991 -4.393 1.00 0.00 C ATOM 1463 C SER A 109 -24.270 2.418 -4.790 1.00 0.00 C ATOM 1464 O SER A 109 -23.661 1.655 -4.040 1.00 0.00 O ATOM 1465 CB SER A 109 -26.736 2.000 -4.729 1.00 0.00 C ATOM 1466 OG SER A 109 -26.393 1.201 -5.844 1.00 0.00 O ATOM 0 H SER A 109 -26.689 4.234 -5.693 1.00 0.00 H new ATOM 0 HA SER A 109 -25.604 3.170 -3.318 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.929 1.361 -3.867 1.00 0.00 H new ATOM 0 HB3 SER A 109 -27.658 2.542 -4.937 1.00 0.00 H new ATOM 0 HG SER A 109 -27.185 1.065 -6.405 1.00 0.00 H new ATOM 1472 N GLY A 110 -23.805 2.792 -5.973 1.00 0.00 N ATOM 1473 CA GLY A 110 -22.525 2.306 -6.452 1.00 0.00 C ATOM 1474 C GLY A 110 -21.368 2.775 -5.591 1.00 0.00 C ATOM 1475 O GLY A 110 -21.226 3.969 -5.325 1.00 0.00 O ATOM 0 H GLY A 110 -24.290 3.423 -6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.539 1.216 -6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.372 2.644 -7.477 1.00 0.00 H new ATOM 1479 N VAL A 111 -20.542 1.831 -5.150 1.00 0.00 N ATOM 1480 CA VAL A 111 -19.388 2.148 -4.313 1.00 0.00 C ATOM 1481 C VAL A 111 -18.132 1.470 -4.847 1.00 0.00 C ATOM 1482 O VAL A 111 -18.094 0.250 -4.994 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.606 1.712 -2.855 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.664 2.460 -1.924 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -21.054 1.919 -2.437 1.00 0.00 C ATOM 0 H VAL A 111 -20.650 0.838 -5.358 1.00 0.00 H new ATOM 0 HA VAL A 111 -19.265 3.231 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.383 0.647 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.835 2.137 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.632 2.249 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.849 3.531 -2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -21.183 1.603 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.312 2.974 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.706 1.328 -3.080 1.00 0.00 H new ATOM 1495 N LEU A 112 -17.106 2.264 -5.135 1.00 0.00 N ATOM 1496 CA LEU A 112 -15.859 1.727 -5.669 1.00 0.00 C ATOM 1497 C LEU A 112 -14.919 1.283 -4.557 1.00 0.00 C ATOM 1498 O LEU A 112 -14.540 2.075 -3.695 1.00 0.00 O ATOM 1499 CB LEU A 112 -15.155 2.772 -6.544 1.00 0.00 C ATOM 1500 CG LEU A 112 -13.709 2.432 -6.930 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.990 3.668 -7.449 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -13.682 1.320 -7.968 1.00 0.00 C ATOM 0 H LEU A 112 -17.112 3.276 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 112 -16.114 0.856 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -15.735 2.909 -7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.159 3.726 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.188 2.082 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.966 3.407 -7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -13.510 4.049 -8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.978 4.434 -6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -12.649 1.092 -8.230 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.158 0.429 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.220 1.642 -8.860 1.00 0.00 H new ATOM 1514 N CYS A 113 -14.509 0.022 -4.613 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.550 -0.508 -3.659 1.00 0.00 C ATOM 1516 C CYS A 113 -12.138 -0.242 -4.162 1.00 0.00 C ATOM 1517 O CYS A 113 -11.704 -0.837 -5.151 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.754 -2.009 -3.465 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.445 -2.820 -2.490 1.00 0.00 S ATOM 0 H CYS A 113 -14.827 -0.651 -5.310 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.699 -0.013 -2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.713 -2.174 -2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.811 -2.486 -4.443 1.00 0.00 H new ATOM 1524 N SER A 114 -11.443 0.676 -3.503 1.00 0.00 N ATOM 1525 CA SER A 114 -10.093 1.038 -3.908 1.00 0.00 C ATOM 1526 C SER A 114 -9.297 1.615 -2.745 1.00 0.00 C ATOM 1527 O SER A 114 -9.856 1.983 -1.713 1.00 0.00 O ATOM 1528 CB SER A 114 -10.139 2.047 -5.057 1.00 0.00 C ATOM 1529 OG SER A 114 -9.789 1.438 -6.287 1.00 0.00 O ATOM 0 H SER A 114 -11.791 1.182 -2.688 1.00 0.00 H new ATOM 0 HA SER A 114 -9.592 0.129 -4.243 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.140 2.473 -5.131 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.456 2.871 -4.849 1.00 0.00 H new ATOM 0 HG SER A 114 -10.234 0.568 -6.360 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.985 1.687 -2.928 1.00 0.00 N ATOM 1536 CA GLY A 115 -7.113 2.226 -1.901 1.00 0.00 C ATOM 1537 C GLY A 115 -7.396 1.652 -0.526 1.00 0.00 C ATOM 1538 O GLY A 115 -7.199 2.326 0.485 1.00 0.00 O ATOM 0 H GLY A 115 -7.506 1.380 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.076 2.022 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.226 3.310 -1.867 1.00 0.00 H new ATOM 1542 N GLY A 116 -7.848 0.403 -0.483 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.153 -0.228 0.787 1.00 0.00 C ATOM 1544 C GLY A 116 -9.362 0.383 1.469 1.00 0.00 C ATOM 1545 O GLY A 116 -9.615 0.124 2.645 1.00 0.00 O ATOM 0 H GLY A 116 -8.008 -0.182 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.330 -1.291 0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.289 -0.145 1.446 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.111 1.197 0.731 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.301 1.837 1.269 1.00 0.00 C ATOM 1551 C GLU A 117 -12.390 1.917 0.208 1.00 0.00 C ATOM 1552 O GLU A 117 -12.177 1.536 -0.943 1.00 0.00 O ATOM 1553 CB GLU A 117 -10.967 3.240 1.782 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.067 3.242 3.007 1.00 0.00 C ATOM 1555 CD GLU A 117 -10.677 3.986 4.178 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -10.896 3.355 5.234 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -10.937 5.199 4.040 1.00 0.00 O ATOM 0 H GLU A 117 -9.912 1.428 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.666 1.235 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.482 3.803 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.894 3.760 2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.860 2.213 3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.111 3.698 2.750 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.554 2.415 0.599 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.677 2.536 -0.315 1.00 0.00 C ATOM 1566 C TRP A 118 -14.967 3.999 -0.626 1.00 0.00 C ATOM 1567 O TRP A 118 -15.115 4.819 0.280 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.906 1.869 0.291 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.777 0.380 0.388 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.214 -0.329 1.410 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -16.204 -0.582 -0.580 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.278 -1.673 1.142 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.879 -1.854 -0.075 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.834 -0.493 -1.824 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -16.162 -3.025 -0.769 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -17.115 -1.657 -2.513 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.781 -2.910 -1.983 1.00 0.00 C ATOM 0 H TRP A 118 -13.744 2.742 1.546 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.423 2.037 -1.250 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.081 2.278 1.286 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.780 2.114 -0.313 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -14.781 0.105 2.299 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -14.934 -2.416 1.750 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -17.097 0.469 -2.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.902 -3.992 -0.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.600 -1.600 -3.476 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -17.017 -3.802 -2.544 1.00 0.00 H new ATOM 1588 N SER A 119 -15.033 4.323 -1.912 1.00 0.00 N ATOM 1589 CA SER A 119 -15.280 5.693 -2.340 1.00 0.00 C ATOM 1590 C SER A 119 -16.692 5.860 -2.890 1.00 0.00 C ATOM 1591 O SER A 119 -17.264 4.933 -3.463 1.00 0.00 O ATOM 1592 CB SER A 119 -14.258 6.108 -3.401 1.00 0.00 C ATOM 1593 OG SER A 119 -13.416 5.023 -3.751 1.00 0.00 O ATOM 0 H SER A 119 -14.919 3.656 -2.675 1.00 0.00 H new ATOM 0 HA SER A 119 -15.178 6.337 -1.466 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.777 6.470 -4.288 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.654 6.934 -3.025 1.00 0.00 H new ATOM 0 HG SER A 119 -12.773 5.314 -4.431 1.00 0.00 H new ATOM 1599 N ASP A 120 -17.242 7.055 -2.711 1.00 0.00 N ATOM 1600 CA ASP A 120 -18.577 7.375 -3.202 1.00 0.00 C ATOM 1601 C ASP A 120 -19.666 6.604 -2.454 1.00 0.00 C ATOM 1602 O ASP A 120 -20.603 6.097 -3.070 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.671 7.075 -4.699 1.00 0.00 C ATOM 1604 CG ASP A 120 -19.297 8.213 -5.483 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -19.477 8.059 -6.710 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -19.607 9.257 -4.872 1.00 0.00 O ATOM 0 H ASP A 120 -16.780 7.824 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 120 -18.741 8.438 -3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -17.673 6.875 -5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -19.259 6.169 -4.848 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.587 6.533 -1.112 1.00 0.00 N ATOM 1612 CA PRO A 121 -20.602 5.851 -0.306 1.00 0.00 C ATOM 1613 C PRO A 121 -21.924 6.616 -0.310 1.00 0.00 C ATOM 1614 O PRO A 121 -21.935 7.845 -0.241 1.00 0.00 O ATOM 1615 CB PRO A 121 -19.996 5.828 1.096 1.00 0.00 C ATOM 1616 CG PRO A 121 -19.060 6.987 1.121 1.00 0.00 C ATOM 1617 CD PRO A 121 -18.523 7.120 -0.279 1.00 0.00 C ATOM 0 HA PRO A 121 -20.836 4.857 -0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -20.766 5.924 1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.472 4.891 1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.575 7.897 1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.253 6.821 1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.337 8.162 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.579 6.588 -0.399 1.00 0.00 H new ATOM 1625 N PRO A 122 -23.059 5.906 -0.405 1.00 0.00 N ATOM 1626 CA PRO A 122 -24.372 6.531 -0.455 1.00 0.00 C ATOM 1627 C PRO A 122 -24.978 6.770 0.918 1.00 0.00 C ATOM 1628 O PRO A 122 -24.345 6.541 1.947 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.210 5.517 -1.227 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.551 4.192 -1.005 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.149 4.443 -0.514 1.00 0.00 C ATOM 0 HA PRO A 122 -24.324 7.520 -0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.240 5.507 -0.869 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.244 5.764 -2.288 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.110 3.606 -0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.533 3.616 -1.930 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -22.972 3.961 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.408 4.050 -1.209 1.00 0.00 H new ATOM 1639 N THR A 123 -26.217 7.238 0.909 1.00 0.00 N ATOM 1640 CA THR A 123 -26.958 7.504 2.135 1.00 0.00 C ATOM 1641 C THR A 123 -28.374 6.961 2.012 1.00 0.00 C ATOM 1642 O THR A 123 -28.632 6.072 1.205 1.00 0.00 O ATOM 1643 CB THR A 123 -26.990 9.008 2.420 1.00 0.00 C ATOM 1644 OG1 THR A 123 -26.014 9.685 1.648 1.00 0.00 O ATOM 1645 CG2 THR A 123 -26.745 9.348 3.874 1.00 0.00 C ATOM 0 H THR A 123 -26.736 7.444 0.056 1.00 0.00 H new ATOM 0 HA THR A 123 -26.458 7.005 2.965 1.00 0.00 H new ATOM 0 HB THR A 123 -27.997 9.331 2.155 1.00 0.00 H new ATOM 0 HG1 THR A 123 -26.051 10.645 1.843 1.00 0.00 H new ATOM 0 HG21 THR A 123 -26.781 10.429 4.006 1.00 0.00 H new ATOM 0 HG22 THR A 123 -27.513 8.881 4.491 1.00 0.00 H new ATOM 0 HG23 THR A 123 -25.764 8.979 4.174 1.00 0.00 H new ATOM 1653 N CYS A 124 -29.294 7.496 2.803 1.00 0.00 N ATOM 1654 CA CYS A 124 -30.679 7.060 2.735 1.00 0.00 C ATOM 1655 C CYS A 124 -31.619 8.137 3.254 1.00 0.00 C ATOM 1656 O CYS A 124 -31.931 8.190 4.444 1.00 0.00 O ATOM 1657 CB CYS A 124 -30.877 5.759 3.515 1.00 0.00 C ATOM 1658 SG CYS A 124 -30.632 4.255 2.517 1.00 0.00 S ATOM 0 H CYS A 124 -29.108 8.225 3.492 1.00 0.00 H new ATOM 0 HA CYS A 124 -30.918 6.876 1.688 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -30.184 5.742 4.356 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -31.884 5.747 3.932 1.00 0.00 H new ATOM 1663 N GLN A 125 -32.065 8.994 2.345 1.00 0.00 N ATOM 1664 CA GLN A 125 -32.975 10.072 2.687 1.00 0.00 C ATOM 1665 C GLN A 125 -34.319 9.876 2.001 1.00 0.00 C ATOM 1666 O GLN A 125 -34.423 9.162 1.003 1.00 0.00 O ATOM 1667 CB GLN A 125 -32.373 11.417 2.282 1.00 0.00 C ATOM 1668 CG GLN A 125 -31.460 12.017 3.338 1.00 0.00 C ATOM 1669 CD GLN A 125 -30.358 12.870 2.741 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -30.620 13.910 2.136 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -29.115 12.433 2.909 1.00 0.00 N ATOM 0 H GLN A 125 -31.807 8.960 1.359 1.00 0.00 H new ATOM 0 HA GLN A 125 -33.131 10.062 3.766 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -31.811 11.290 1.357 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -33.180 12.118 2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -32.053 12.623 4.023 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -31.015 11.215 3.926 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -28.944 11.565 3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -28.332 12.965 2.530 1.00 0.00 H new ATOM 1680 N ILE A 126 -35.343 10.513 2.545 1.00 0.00 N ATOM 1681 CA ILE A 126 -36.689 10.413 1.995 1.00 0.00 C ATOM 1682 C ILE A 126 -36.922 11.475 0.923 1.00 0.00 C ATOM 1683 O ILE A 126 -37.738 12.380 1.096 1.00 0.00 O ATOM 1684 CB ILE A 126 -37.755 10.555 3.100 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -37.574 9.456 4.146 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -39.157 10.501 2.510 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -37.911 8.072 3.636 1.00 0.00 C ATOM 0 H ILE A 126 -35.269 11.108 3.370 1.00 0.00 H new ATOM 0 HA ILE A 126 -36.781 9.425 1.543 1.00 0.00 H new ATOM 0 HB ILE A 126 -37.627 11.525 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -36.541 9.464 4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -38.203 9.679 5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -39.892 10.603 3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -39.282 11.314 1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -39.302 9.547 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -37.759 7.344 4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -38.952 8.046 3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -37.265 7.828 2.793 1.00 0.00 H new