USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 807 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= -1.78 K(o=-1.8,f=-2.8!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.00517 USER MOD Set 1.3: A 98 SER OG : rot 120:sc= -0.0653 USER MOD Set 2.1: A 73 SER OG : rot -140:sc= -3.18! USER MOD Set 2.2: A 82 HIS : no HD1:sc= -2.98! C(o=-6.2!,f=-7.3!) USER MOD Set 3.1: A 19 GLN : amide:sc= 1.09 K(o=0.88,f=-1.7) USER MOD Set 3.2: A 36 ASN : amide:sc= -0.212 K(o=0.88,f=-3.3!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -3.46! C(o=-3.5!,f=-4.4!) USER MOD Single : A 29 SER OG : rot -100:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.819 USER MOD Single : A 33 TYR OH : rot 28:sc= 1.2 USER MOD Single : A 34 SER OG : rot -52:sc= 0.0872 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -2.79 K(o=-2.8,f=-0.95) 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 -89:sc= 0.621 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -51:sc= 0.932 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0916 USER MOD Single : A 57 MET CE :methyl -99:sc= -0.0862 (180deg=-2.15!) USER MOD Single : A 60 ASN : amide:sc= -0.616 K(o=-0.62,f=-0.06) USER MOD Single : A 68 SER OG : rot -51:sc= 0.498 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.038 X(o=-0.038,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= -1.24! C(o=-1.2!,f=-1.6!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 15:sc= -1.73! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 66:sc= 0.297 USER MOD Single : A 97 TYR OH : rot -109:sc= -1.83 USER MOD Single : A 100 ASN : amide:sc= -7.65! C(o=-7.7!,f=-19!) 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 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -4.72! C(o=-4.7!,f=-3.5!) USER MOD Single : A 109 SER OG : rot 180:sc= -0.531 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0.00256 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.0625 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 33.655 -3.772 1.517 1.00 0.00 N ATOM 2 CA ARG A 7 32.785 -3.409 2.628 1.00 0.00 C ATOM 3 C ARG A 7 31.322 -3.411 2.199 1.00 0.00 C ATOM 4 O ARG A 7 30.997 -3.752 1.062 1.00 0.00 O ATOM 5 CB ARG A 7 33.166 -2.030 3.172 1.00 0.00 C ATOM 6 CG ARG A 7 34.636 -1.906 3.538 1.00 0.00 C ATOM 7 CD ARG A 7 34.903 -0.657 4.362 1.00 0.00 C ATOM 8 NE ARG A 7 36.322 -0.496 4.668 1.00 0.00 N ATOM 9 CZ ARG A 7 36.810 0.502 5.397 1.00 0.00 C ATOM 10 NH1 ARG A 7 35.995 1.423 5.893 1.00 0.00 N ATOM 11 NH2 ARG A 7 38.114 0.580 5.631 1.00 0.00 N ATOM 0 HA ARG A 7 32.915 -4.152 3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 7 32.921 -1.274 2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 7 32.561 -1.816 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 7 34.947 -2.787 4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 7 35.237 -1.879 2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 7 34.548 0.219 3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 7 34.335 -0.707 5.291 1.00 0.00 H new ATOM 0 HE ARG A 7 36.975 -1.189 4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 7 34.992 1.366 5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 7 36.371 2.189 6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 7 38.744 -0.127 5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 7 38.487 1.347 6.191 1.00 0.00 H new ATOM 25 N ARG A 8 30.444 -3.030 3.120 1.00 0.00 N ATOM 26 CA ARG A 8 29.014 -2.989 2.843 1.00 0.00 C ATOM 27 C ARG A 8 28.627 -1.682 2.159 1.00 0.00 C ATOM 28 O ARG A 8 29.449 -0.778 2.010 1.00 0.00 O ATOM 29 CB ARG A 8 28.223 -3.154 4.142 1.00 0.00 C ATOM 30 CG ARG A 8 28.585 -2.135 5.207 1.00 0.00 C ATOM 31 CD ARG A 8 27.404 -1.240 5.541 1.00 0.00 C ATOM 32 NE ARG A 8 27.808 0.150 5.732 1.00 0.00 N ATOM 33 CZ ARG A 8 28.357 0.608 6.852 1.00 0.00 C ATOM 34 NH1 ARG A 8 28.697 1.886 6.951 1.00 0.00 N ATOM 35 NH2 ARG A 8 28.565 -0.210 7.874 1.00 0.00 N ATOM 0 H ARG A 8 30.698 -2.745 4.066 1.00 0.00 H new ATOM 0 HA ARG A 8 28.774 -3.811 2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 8 27.158 -3.075 3.922 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.393 -4.156 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 8 28.919 -2.650 6.107 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.419 -1.525 4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 8 26.668 -1.297 4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.918 -1.604 6.446 1.00 0.00 H new ATOM 0 HE ARG A 8 27.661 0.805 4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 8 28.537 2.518 6.167 1.00 0.00 H new ATOM 0 HH12 ARG A 8 29.118 2.236 7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 8 28.304 -1.193 7.802 1.00 0.00 H new ATOM 0 HH22 ARG A 8 28.987 0.144 8.733 1.00 0.00 H new ATOM 49 N CYS A 9 27.369 -1.593 1.742 1.00 0.00 N ATOM 50 CA CYS A 9 26.863 -0.406 1.067 1.00 0.00 C ATOM 51 C CYS A 9 26.535 0.698 2.067 1.00 0.00 C ATOM 52 O CYS A 9 26.366 0.439 3.258 1.00 0.00 O ATOM 53 CB CYS A 9 25.616 -0.759 0.259 1.00 0.00 C ATOM 54 SG CYS A 9 25.962 -1.593 -1.323 1.00 0.00 S ATOM 0 H CYS A 9 26.678 -2.334 1.861 1.00 0.00 H new ATOM 0 HA CYS A 9 27.640 -0.040 0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.975 -1.402 0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.055 0.154 0.060 1.00 0.00 H new ATOM 59 N PRO A 10 26.430 1.951 1.590 1.00 0.00 N ATOM 60 CA PRO A 10 26.115 3.097 2.447 1.00 0.00 C ATOM 61 C PRO A 10 24.671 3.071 2.935 1.00 0.00 C ATOM 62 O PRO A 10 23.875 2.235 2.506 1.00 0.00 O ATOM 63 CB PRO A 10 26.352 4.301 1.539 1.00 0.00 C ATOM 64 CG PRO A 10 26.157 3.779 0.160 1.00 0.00 C ATOM 65 CD PRO A 10 26.616 2.348 0.183 1.00 0.00 C ATOM 0 HA PRO A 10 26.722 3.108 3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.652 5.107 1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.356 4.705 1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.111 3.847 -0.137 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.732 4.360 -0.561 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.027 1.726 -0.491 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.657 2.255 -0.126 1.00 0.00 H new ATOM 73 N SER A 11 24.338 3.989 3.835 1.00 0.00 N ATOM 74 CA SER A 11 22.990 4.067 4.381 1.00 0.00 C ATOM 75 C SER A 11 21.955 4.169 3.262 1.00 0.00 C ATOM 76 O SER A 11 21.852 5.200 2.597 1.00 0.00 O ATOM 77 CB SER A 11 22.866 5.273 5.314 1.00 0.00 C ATOM 78 OG SER A 11 21.680 5.202 6.087 1.00 0.00 O ATOM 0 H SER A 11 24.983 4.689 4.201 1.00 0.00 H new ATOM 0 HA SER A 11 22.800 3.155 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 11 23.732 5.316 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 11 22.867 6.192 4.727 1.00 0.00 H new ATOM 0 HG SER A 11 21.626 5.984 6.676 1.00 0.00 H new ATOM 84 N PRO A 12 21.172 3.099 3.031 1.00 0.00 N ATOM 85 CA PRO A 12 20.148 3.090 1.986 1.00 0.00 C ATOM 86 C PRO A 12 19.235 4.305 2.063 1.00 0.00 C ATOM 87 O PRO A 12 18.905 4.779 3.151 1.00 0.00 O ATOM 88 CB PRO A 12 19.357 1.816 2.265 1.00 0.00 C ATOM 89 CG PRO A 12 20.310 0.923 2.980 1.00 0.00 C ATOM 90 CD PRO A 12 21.218 1.824 3.771 1.00 0.00 C ATOM 0 HA PRO A 12 20.588 3.122 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.477 2.023 2.874 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.005 1.359 1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.779 0.233 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.880 0.318 2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.870 1.943 4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.232 1.427 3.822 1.00 0.00 H new ATOM 98 N ARG A 13 18.828 4.805 0.903 1.00 0.00 N ATOM 99 CA ARG A 13 17.936 5.953 0.843 1.00 0.00 C ATOM 100 C ARG A 13 16.661 5.667 1.613 1.00 0.00 C ATOM 101 O ARG A 13 16.246 4.516 1.749 1.00 0.00 O ATOM 102 CB ARG A 13 17.609 6.306 -0.609 1.00 0.00 C ATOM 103 CG ARG A 13 17.591 7.803 -0.880 1.00 0.00 C ATOM 104 CD ARG A 13 18.142 8.130 -2.259 1.00 0.00 C ATOM 105 NE ARG A 13 18.170 9.568 -2.512 1.00 0.00 N ATOM 106 CZ ARG A 13 18.269 10.101 -3.727 1.00 0.00 C ATOM 107 NH1 ARG A 13 18.288 11.419 -3.876 1.00 0.00 N ATOM 108 NH2 ARG A 13 18.347 9.317 -4.793 1.00 0.00 N ATOM 0 H ARG A 13 19.101 4.433 -0.007 1.00 0.00 H new ATOM 0 HA ARG A 13 18.440 6.805 1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.343 5.835 -1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.637 5.886 -0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.570 8.176 -0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.180 8.318 -0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.150 7.726 -2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.532 7.640 -3.018 1.00 0.00 H new ATOM 0 HE ARG A 13 18.110 10.199 -1.713 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.227 12.026 -3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.364 11.826 -4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.331 8.303 -4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.423 9.728 -5.724 1.00 0.00 H new ATOM 122 N ASP A 14 16.061 6.719 2.140 1.00 0.00 N ATOM 123 CA ASP A 14 14.861 6.584 2.942 1.00 0.00 C ATOM 124 C ASP A 14 13.605 6.750 2.100 1.00 0.00 C ATOM 125 O ASP A 14 13.666 6.814 0.872 1.00 0.00 O ATOM 126 CB ASP A 14 14.881 7.616 4.065 1.00 0.00 C ATOM 127 CG ASP A 14 14.671 6.992 5.430 1.00 0.00 C ATOM 128 OD1 ASP A 14 15.561 6.243 5.884 1.00 0.00 O ATOM 129 OD2 ASP A 14 13.616 7.252 6.046 1.00 0.00 O ATOM 0 H ASP A 14 16.387 7.679 2.026 1.00 0.00 H new ATOM 0 HA ASP A 14 14.844 5.580 3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.835 8.143 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.104 8.359 3.885 1.00 0.00 H new ATOM 134 N ILE A 15 12.465 6.812 2.775 1.00 0.00 N ATOM 135 CA ILE A 15 11.182 6.958 2.103 1.00 0.00 C ATOM 136 C ILE A 15 10.207 7.754 2.960 1.00 0.00 C ATOM 137 O ILE A 15 10.227 7.662 4.187 1.00 0.00 O ATOM 138 CB ILE A 15 10.557 5.589 1.790 1.00 0.00 C ATOM 139 CG1 ILE A 15 9.248 5.765 1.021 1.00 0.00 C ATOM 140 CG2 ILE A 15 10.315 4.817 3.076 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.813 4.520 0.286 1.00 0.00 C ATOM 0 H ILE A 15 12.403 6.763 3.792 1.00 0.00 H new ATOM 0 HA ILE A 15 11.370 7.490 1.170 1.00 0.00 H new ATOM 0 HB ILE A 15 11.250 5.023 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.463 6.060 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.362 6.579 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.872 3.849 2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.262 4.667 3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.637 5.381 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.877 4.715 -0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.580 4.236 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.667 3.709 0.999 1.00 0.00 H new ATOM 153 N ASP A 16 9.348 8.528 2.308 1.00 0.00 N ATOM 154 CA ASP A 16 8.348 9.309 3.013 1.00 0.00 C ATOM 155 C ASP A 16 7.106 8.466 3.257 1.00 0.00 C ATOM 156 O ASP A 16 6.872 7.476 2.563 1.00 0.00 O ATOM 157 CB ASP A 16 7.982 10.552 2.208 1.00 0.00 C ATOM 158 CG ASP A 16 7.692 11.751 3.089 1.00 0.00 C ATOM 159 OD1 ASP A 16 7.863 12.893 2.613 1.00 0.00 O ATOM 160 OD2 ASP A 16 7.294 11.548 4.255 1.00 0.00 O ATOM 0 H ASP A 16 9.326 8.629 1.293 1.00 0.00 H new ATOM 0 HA ASP A 16 8.761 9.621 3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.799 10.794 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.108 10.338 1.593 1.00 0.00 H new ATOM 165 N ASN A 17 6.330 8.839 4.267 1.00 0.00 N ATOM 166 CA ASN A 17 5.113 8.100 4.619 1.00 0.00 C ATOM 167 C ASN A 17 5.359 6.592 4.582 1.00 0.00 C ATOM 168 O ASN A 17 4.451 5.811 4.296 1.00 0.00 O ATOM 169 CB ASN A 17 3.941 8.455 3.684 1.00 0.00 C ATOM 170 CG ASN A 17 4.332 9.355 2.523 1.00 0.00 C ATOM 171 OD1 ASN A 17 4.150 9.000 1.358 1.00 0.00 O ATOM 172 ND2 ASN A 17 4.871 10.528 2.838 1.00 0.00 N ATOM 0 H ASN A 17 6.517 9.648 4.860 1.00 0.00 H new ATOM 0 HA ASN A 17 4.845 8.394 5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.512 7.534 3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.161 8.946 4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.152 11.175 2.101 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.004 10.782 3.817 1.00 0.00 H new ATOM 179 N GLY A 18 6.601 6.193 4.850 1.00 0.00 N ATOM 180 CA GLY A 18 6.950 4.785 4.834 1.00 0.00 C ATOM 181 C GLY A 18 8.188 4.484 5.655 1.00 0.00 C ATOM 182 O GLY A 18 8.801 5.389 6.222 1.00 0.00 O ATOM 0 H GLY A 18 7.371 6.822 5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.113 4.202 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.114 4.467 3.805 1.00 0.00 H new ATOM 186 N GLN A 19 8.552 3.207 5.728 1.00 0.00 N ATOM 187 CA GLN A 19 9.725 2.786 6.490 1.00 0.00 C ATOM 188 C GLN A 19 10.543 1.774 5.699 1.00 0.00 C ATOM 189 O GLN A 19 10.010 1.058 4.852 1.00 0.00 O ATOM 190 CB GLN A 19 9.313 2.173 7.836 1.00 0.00 C ATOM 191 CG GLN A 19 7.960 2.644 8.352 1.00 0.00 C ATOM 192 CD GLN A 19 7.963 2.903 9.845 1.00 0.00 C ATOM 193 OE1 GLN A 19 8.681 2.246 10.599 1.00 0.00 O ATOM 194 NE2 GLN A 19 7.157 3.864 10.281 1.00 0.00 N ATOM 0 H GLN A 19 8.052 2.445 5.269 1.00 0.00 H new ATOM 0 HA GLN A 19 10.334 3.670 6.677 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.293 1.088 7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.075 2.411 8.579 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.674 3.557 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.205 1.893 8.119 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.579 4.384 9.620 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.116 4.083 11.276 1.00 0.00 H new ATOM 203 N LEU A 20 11.838 1.709 5.986 1.00 0.00 N ATOM 204 CA LEU A 20 12.720 0.778 5.301 1.00 0.00 C ATOM 205 C LEU A 20 12.815 -0.543 6.052 1.00 0.00 C ATOM 206 O LEU A 20 12.648 -0.593 7.271 1.00 0.00 O ATOM 207 CB LEU A 20 14.112 1.378 5.151 1.00 0.00 C ATOM 208 CG LEU A 20 14.139 2.878 4.879 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.553 3.321 4.574 1.00 0.00 C ATOM 210 CD2 LEU A 20 13.212 3.230 3.728 1.00 0.00 C ATOM 0 H LEU A 20 12.298 2.290 6.687 1.00 0.00 H new ATOM 0 HA LEU A 20 12.299 0.588 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.678 1.178 6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.626 0.867 4.337 1.00 0.00 H new ATOM 0 HG LEU A 20 13.789 3.401 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.565 4.394 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.196 3.099 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.919 2.790 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.245 4.305 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 20 13.532 2.703 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.193 2.935 3.978 1.00 0.00 H new ATOM 222 N ASP A 21 13.099 -1.606 5.314 1.00 0.00 N ATOM 223 CA ASP A 21 13.274 -2.927 5.901 1.00 0.00 C ATOM 224 C ASP A 21 14.639 -3.473 5.514 1.00 0.00 C ATOM 225 O ASP A 21 14.746 -4.402 4.713 1.00 0.00 O ATOM 226 CB ASP A 21 12.175 -3.878 5.429 1.00 0.00 C ATOM 227 CG ASP A 21 11.917 -5.000 6.416 1.00 0.00 C ATOM 228 OD1 ASP A 21 11.153 -5.927 6.074 1.00 0.00 O ATOM 229 OD2 ASP A 21 12.483 -4.953 7.528 1.00 0.00 O ATOM 0 H ASP A 21 13.214 -1.579 4.301 1.00 0.00 H new ATOM 0 HA ASP A 21 13.208 -2.844 6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.254 -3.316 5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.456 -4.303 4.465 1.00 0.00 H new ATOM 234 N ILE A 22 15.682 -2.836 6.033 1.00 0.00 N ATOM 235 CA ILE A 22 17.053 -3.201 5.695 1.00 0.00 C ATOM 236 C ILE A 22 17.520 -4.423 6.473 1.00 0.00 C ATOM 237 O ILE A 22 17.997 -4.311 7.602 1.00 0.00 O ATOM 238 CB ILE A 22 18.038 -2.040 5.951 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.343 -0.682 5.763 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.239 -2.165 5.027 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.293 0.493 5.657 1.00 0.00 C ATOM 0 H ILE A 22 15.604 -2.061 6.692 1.00 0.00 H new ATOM 0 HA ILE A 22 17.047 -3.435 4.630 1.00 0.00 H new ATOM 0 HB ILE A 22 18.384 -2.097 6.983 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.730 -0.722 4.862 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.667 -0.514 6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.929 -1.342 5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.745 -3.112 5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 22 18.905 -2.130 3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.722 1.412 5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.889 0.563 6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 22 18.953 0.351 4.801 1.00 0.00 H new ATOM 253 N GLY A 23 17.404 -5.588 5.847 1.00 0.00 N ATOM 254 CA GLY A 23 17.863 -6.813 6.470 1.00 0.00 C ATOM 255 C GLY A 23 19.290 -7.151 6.078 1.00 0.00 C ATOM 256 O GLY A 23 19.738 -8.283 6.260 1.00 0.00 O ATOM 0 H GLY A 23 17.000 -5.705 4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.798 -6.715 7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.205 -7.634 6.185 1.00 0.00 H new ATOM 260 N GLY A 24 20.002 -6.168 5.529 1.00 0.00 N ATOM 261 CA GLY A 24 21.374 -6.387 5.110 1.00 0.00 C ATOM 262 C GLY A 24 21.847 -5.328 4.134 1.00 0.00 C ATOM 263 O GLY A 24 21.184 -5.056 3.134 1.00 0.00 O ATOM 0 H GLY A 24 19.651 -5.224 5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 24 22.024 -6.389 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 24 21.459 -7.370 4.647 1.00 0.00 H new ATOM 267 N VAL A 25 22.991 -4.720 4.431 1.00 0.00 N ATOM 268 CA VAL A 25 23.541 -3.670 3.582 1.00 0.00 C ATOM 269 C VAL A 25 24.863 -4.090 2.945 1.00 0.00 C ATOM 270 O VAL A 25 25.600 -3.253 2.427 1.00 0.00 O ATOM 271 CB VAL A 25 23.759 -2.369 4.376 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.445 -1.623 4.553 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.396 -2.669 5.724 1.00 0.00 C ATOM 0 H VAL A 25 23.555 -4.936 5.253 1.00 0.00 H new ATOM 0 HA VAL A 25 22.810 -3.496 2.793 1.00 0.00 H new ATOM 0 HB VAL A 25 24.438 -1.730 3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.620 -0.707 5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 25 22.033 -1.375 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.739 -2.253 5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.543 -1.738 6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 25 23.743 -3.328 6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.359 -3.156 5.571 1.00 0.00 H new ATOM 283 N ASP A 26 25.154 -5.388 2.968 1.00 0.00 N ATOM 284 CA ASP A 26 26.395 -5.896 2.396 1.00 0.00 C ATOM 285 C ASP A 26 26.298 -6.015 0.877 1.00 0.00 C ATOM 286 O ASP A 26 25.205 -6.119 0.319 1.00 0.00 O ATOM 287 CB ASP A 26 26.740 -7.257 3.003 1.00 0.00 C ATOM 288 CG ASP A 26 26.831 -7.210 4.515 1.00 0.00 C ATOM 289 OD1 ASP A 26 27.297 -8.202 5.114 1.00 0.00 O ATOM 290 OD2 ASP A 26 26.435 -6.181 5.102 1.00 0.00 O ATOM 0 H ASP A 26 24.550 -6.103 3.374 1.00 0.00 H new ATOM 0 HA ASP A 26 27.187 -5.185 2.632 1.00 0.00 H new ATOM 0 HB2 ASP A 26 25.983 -7.985 2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 26 27.690 -7.603 2.595 1.00 0.00 H new ATOM 295 N PHE A 27 27.453 -6.005 0.219 1.00 0.00 N ATOM 296 CA PHE A 27 27.523 -6.117 -1.236 1.00 0.00 C ATOM 297 C PHE A 27 26.784 -7.357 -1.725 1.00 0.00 C ATOM 298 O PHE A 27 27.383 -8.417 -1.907 1.00 0.00 O ATOM 299 CB PHE A 27 28.989 -6.173 -1.672 1.00 0.00 C ATOM 300 CG PHE A 27 29.215 -6.072 -3.157 1.00 0.00 C ATOM 301 CD1 PHE A 27 30.416 -6.498 -3.702 1.00 0.00 C ATOM 302 CD2 PHE A 27 28.252 -5.534 -4.004 1.00 0.00 C ATOM 303 CE1 PHE A 27 30.652 -6.406 -5.059 1.00 0.00 C ATOM 304 CE2 PHE A 27 28.487 -5.441 -5.367 1.00 0.00 C ATOM 305 CZ PHE A 27 29.688 -5.878 -5.891 1.00 0.00 C ATOM 0 H PHE A 27 28.362 -5.920 0.674 1.00 0.00 H new ATOM 0 HA PHE A 27 27.043 -5.243 -1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 27 29.530 -5.364 -1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 27 29.423 -7.108 -1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 27 31.178 -6.908 -3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 27 27.314 -5.186 -3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 27 31.591 -6.747 -5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 27 27.732 -5.027 -6.019 1.00 0.00 H new ATOM 0 HZ PHE A 27 29.872 -5.806 -6.953 1.00 0.00 H new ATOM 315 N GLY A 28 25.481 -7.216 -1.939 1.00 0.00 N ATOM 316 CA GLY A 28 24.682 -8.333 -2.406 1.00 0.00 C ATOM 317 C GLY A 28 23.392 -8.510 -1.622 1.00 0.00 C ATOM 318 O GLY A 28 22.566 -9.356 -1.965 1.00 0.00 O ATOM 0 H GLY A 28 24.964 -6.348 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.443 -8.186 -3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 28 25.271 -9.248 -2.337 1.00 0.00 H new ATOM 322 N SER A 29 23.214 -7.717 -0.566 1.00 0.00 N ATOM 323 CA SER A 29 22.012 -7.803 0.256 1.00 0.00 C ATOM 324 C SER A 29 20.838 -7.111 -0.428 1.00 0.00 C ATOM 325 O SER A 29 20.968 -6.610 -1.545 1.00 0.00 O ATOM 326 CB SER A 29 22.260 -7.175 1.628 1.00 0.00 C ATOM 327 OG SER A 29 23.088 -8.003 2.426 1.00 0.00 O ATOM 0 H SER A 29 23.885 -7.011 -0.262 1.00 0.00 H new ATOM 0 HA SER A 29 21.765 -8.857 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.728 -6.198 1.505 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.308 -7.011 2.134 1.00 0.00 H new ATOM 0 HG SER A 29 22.534 -8.508 3.057 1.00 0.00 H new ATOM 333 N SER A 30 19.692 -7.087 0.245 1.00 0.00 N ATOM 334 CA SER A 30 18.503 -6.455 -0.310 1.00 0.00 C ATOM 335 C SER A 30 17.652 -5.812 0.782 1.00 0.00 C ATOM 336 O SER A 30 17.681 -6.236 1.937 1.00 0.00 O ATOM 337 CB SER A 30 17.668 -7.479 -1.082 1.00 0.00 C ATOM 338 OG SER A 30 17.574 -8.701 -0.370 1.00 0.00 O ATOM 0 H SER A 30 19.563 -7.496 1.170 1.00 0.00 H new ATOM 0 HA SER A 30 18.833 -5.671 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.669 -7.080 -1.259 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.117 -7.657 -2.059 1.00 0.00 H new ATOM 0 HG SER A 30 17.034 -9.338 -0.883 1.00 0.00 H new ATOM 344 N ILE A 31 16.882 -4.795 0.402 1.00 0.00 N ATOM 345 CA ILE A 31 16.012 -4.092 1.348 1.00 0.00 C ATOM 346 C ILE A 31 14.543 -4.273 0.982 1.00 0.00 C ATOM 347 O ILE A 31 14.219 -4.762 -0.100 1.00 0.00 O ATOM 348 CB ILE A 31 16.302 -2.573 1.412 1.00 0.00 C ATOM 349 CG1 ILE A 31 17.683 -2.232 0.860 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.183 -2.075 2.839 1.00 0.00 C ATOM 351 CD1 ILE A 31 17.966 -0.747 0.853 1.00 0.00 C ATOM 0 H ILE A 31 16.841 -4.438 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 31 16.222 -4.534 2.322 1.00 0.00 H new ATOM 0 HB ILE A 31 15.560 -2.075 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.442 -2.738 1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 31 17.767 -2.617 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.390 -1.005 2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.174 -2.260 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.900 -2.601 3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 31 18.963 -0.568 0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.227 -0.239 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.912 -0.362 1.871 1.00 0.00 H new ATOM 363 N THR A 32 13.661 -3.836 1.877 1.00 0.00 N ATOM 364 CA THR A 32 12.223 -3.915 1.641 1.00 0.00 C ATOM 365 C THR A 32 11.529 -2.631 2.094 1.00 0.00 C ATOM 366 O THR A 32 11.395 -2.374 3.291 1.00 0.00 O ATOM 367 CB THR A 32 11.626 -5.120 2.371 1.00 0.00 C ATOM 368 OG1 THR A 32 12.647 -5.895 2.975 1.00 0.00 O ATOM 369 CG2 THR A 32 10.828 -6.034 1.466 1.00 0.00 C ATOM 0 H THR A 32 13.918 -3.423 2.774 1.00 0.00 H new ATOM 0 HA THR A 32 12.061 -4.037 0.570 1.00 0.00 H new ATOM 0 HB THR A 32 10.953 -4.701 3.119 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.246 -6.660 3.438 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.433 -6.867 2.047 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.002 -5.477 1.023 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.473 -6.417 0.675 1.00 0.00 H new ATOM 377 N TYR A 33 11.103 -1.821 1.127 1.00 0.00 N ATOM 378 CA TYR A 33 10.428 -0.560 1.423 1.00 0.00 C ATOM 379 C TYR A 33 8.967 -0.799 1.789 1.00 0.00 C ATOM 380 O TYR A 33 8.339 -1.734 1.293 1.00 0.00 O ATOM 381 CB TYR A 33 10.518 0.384 0.220 1.00 0.00 C ATOM 382 CG TYR A 33 11.836 1.117 0.122 1.00 0.00 C ATOM 383 CD1 TYR A 33 11.945 2.442 0.524 1.00 0.00 C ATOM 384 CD2 TYR A 33 12.970 0.484 -0.370 1.00 0.00 C ATOM 385 CE1 TYR A 33 13.148 3.117 0.438 1.00 0.00 C ATOM 386 CE2 TYR A 33 14.176 1.152 -0.460 1.00 0.00 C ATOM 387 CZ TYR A 33 14.260 2.468 -0.055 1.00 0.00 C ATOM 388 OH TYR A 33 15.460 3.137 -0.143 1.00 0.00 O ATOM 0 H TYR A 33 11.213 -2.016 0.132 1.00 0.00 H new ATOM 0 HA TYR A 33 10.926 -0.100 2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.362 -0.190 -0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.710 1.113 0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 33 11.076 2.953 0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 33 12.908 -0.547 -0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 33 13.217 4.147 0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.049 0.646 -0.846 1.00 0.00 H new ATOM 0 HH TYR A 33 15.498 3.833 0.546 1.00 0.00 H new ATOM 398 N SER A 34 8.430 0.050 2.662 1.00 0.00 N ATOM 399 CA SER A 34 7.042 -0.081 3.094 1.00 0.00 C ATOM 400 C SER A 34 6.460 1.269 3.498 1.00 0.00 C ATOM 401 O SER A 34 7.194 2.199 3.832 1.00 0.00 O ATOM 402 CB SER A 34 6.944 -1.058 4.268 1.00 0.00 C ATOM 403 OG SER A 34 7.230 -0.412 5.496 1.00 0.00 O ATOM 0 H SER A 34 8.932 0.832 3.082 1.00 0.00 H new ATOM 0 HA SER A 34 6.465 -0.466 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.943 -1.488 4.304 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.640 -1.883 4.117 1.00 0.00 H new ATOM 0 HG SER A 34 8.083 0.065 5.424 1.00 0.00 H new ATOM 409 N CYS A 35 5.134 1.364 3.476 1.00 0.00 N ATOM 410 CA CYS A 35 4.449 2.594 3.843 1.00 0.00 C ATOM 411 C CYS A 35 4.250 2.678 5.353 1.00 0.00 C ATOM 412 O CYS A 35 4.380 1.681 6.063 1.00 0.00 O ATOM 413 CB CYS A 35 3.099 2.672 3.131 1.00 0.00 C ATOM 414 SG CYS A 35 3.184 3.362 1.448 1.00 0.00 S ATOM 0 H CYS A 35 4.513 0.601 3.207 1.00 0.00 H new ATOM 0 HA CYS A 35 5.068 3.436 3.533 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.669 1.672 3.081 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.420 3.281 3.728 1.00 0.00 H new ATOM 419 N ASN A 36 3.945 3.877 5.838 1.00 0.00 N ATOM 420 CA ASN A 36 3.746 4.099 7.266 1.00 0.00 C ATOM 421 C ASN A 36 2.534 3.329 7.783 1.00 0.00 C ATOM 422 O ASN A 36 2.669 2.224 8.308 1.00 0.00 O ATOM 423 CB ASN A 36 3.577 5.592 7.554 1.00 0.00 C ATOM 424 CG ASN A 36 4.847 6.225 8.090 1.00 0.00 C ATOM 425 OD1 ASN A 36 5.698 5.545 8.664 1.00 0.00 O ATOM 426 ND2 ASN A 36 4.980 7.533 7.907 1.00 0.00 N ATOM 0 H ASN A 36 3.830 4.711 5.262 1.00 0.00 H new ATOM 0 HA ASN A 36 4.631 3.732 7.786 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.277 6.104 6.640 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.772 5.731 8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.813 8.014 8.248 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.250 8.058 7.426 1.00 0.00 H new ATOM 433 N SER A 37 1.353 3.923 7.642 1.00 0.00 N ATOM 434 CA SER A 37 0.122 3.293 8.104 1.00 0.00 C ATOM 435 C SER A 37 -1.075 3.785 7.298 1.00 0.00 C ATOM 436 O SER A 37 -1.227 4.983 7.062 1.00 0.00 O ATOM 437 CB SER A 37 -0.096 3.583 9.590 1.00 0.00 C ATOM 438 OG SER A 37 -0.755 2.503 10.229 1.00 0.00 O ATOM 0 H SER A 37 1.223 4.839 7.212 1.00 0.00 H new ATOM 0 HA SER A 37 0.217 2.217 7.960 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.864 3.764 10.073 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.687 4.492 9.704 1.00 0.00 H new ATOM 0 HG SER A 37 -0.881 2.712 11.178 1.00 0.00 H new ATOM 444 N GLY A 38 -1.925 2.852 6.883 1.00 0.00 N ATOM 445 CA GLY A 38 -3.085 3.209 6.089 1.00 0.00 C ATOM 446 C GLY A 38 -2.695 3.768 4.737 1.00 0.00 C ATOM 447 O GLY A 38 -3.459 4.507 4.115 1.00 0.00 O ATOM 0 H GLY A 38 -1.831 1.856 7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.714 2.330 5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.681 3.946 6.628 1.00 0.00 H new ATOM 451 N TYR A 39 -1.495 3.417 4.287 1.00 0.00 N ATOM 452 CA TYR A 39 -0.983 3.892 3.010 1.00 0.00 C ATOM 453 C TYR A 39 -0.757 2.730 2.048 1.00 0.00 C ATOM 454 O TYR A 39 -0.920 1.566 2.414 1.00 0.00 O ATOM 455 CB TYR A 39 0.333 4.644 3.225 1.00 0.00 C ATOM 456 CG TYR A 39 0.164 6.137 3.397 1.00 0.00 C ATOM 457 CD1 TYR A 39 -0.934 6.660 4.069 1.00 0.00 C ATOM 458 CD2 TYR A 39 1.103 7.024 2.887 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.093 8.024 4.223 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.952 8.389 3.040 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.147 8.883 3.708 1.00 0.00 C ATOM 462 OH TYR A 39 -0.301 10.242 3.862 1.00 0.00 O ATOM 0 H TYR A 39 -0.857 2.802 4.792 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.722 4.564 2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.831 4.241 4.107 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.990 4.458 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.675 5.989 4.478 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.966 6.641 2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.954 8.415 4.744 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.692 9.065 2.638 1.00 0.00 H new ATOM 0 HH TYR A 39 0.453 10.706 3.442 1.00 0.00 H new ATOM 472 N HIS A 40 -0.379 3.055 0.817 1.00 0.00 N ATOM 473 CA HIS A 40 -0.079 2.039 -0.184 1.00 0.00 C ATOM 474 C HIS A 40 1.118 2.459 -1.025 1.00 0.00 C ATOM 475 O HIS A 40 1.080 3.472 -1.723 1.00 0.00 O ATOM 476 CB HIS A 40 -1.289 1.752 -1.083 1.00 0.00 C ATOM 477 CG HIS A 40 -1.802 2.935 -1.848 1.00 0.00 C ATOM 478 ND1 HIS A 40 -2.741 2.823 -2.853 1.00 0.00 N ATOM 479 CD2 HIS A 40 -1.513 4.255 -1.756 1.00 0.00 C ATOM 480 CE1 HIS A 40 -3.005 4.020 -3.345 1.00 0.00 C ATOM 481 NE2 HIS A 40 -2.272 4.905 -2.697 1.00 0.00 N ATOM 0 H HIS A 40 -0.273 4.015 0.488 1.00 0.00 H new ATOM 0 HA HIS A 40 0.165 1.118 0.345 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.019 0.969 -1.791 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.097 1.359 -0.466 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -3.166 1.951 -3.167 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.815 4.711 -1.070 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.702 4.237 -4.141 1.00 0.00 H new ATOM 490 N LEU A 41 2.193 1.688 -0.921 1.00 0.00 N ATOM 491 CA LEU A 41 3.415 1.970 -1.654 1.00 0.00 C ATOM 492 C LEU A 41 3.273 1.547 -3.110 1.00 0.00 C ATOM 493 O LEU A 41 2.826 0.438 -3.405 1.00 0.00 O ATOM 494 CB LEU A 41 4.596 1.246 -0.997 1.00 0.00 C ATOM 495 CG LEU A 41 5.856 1.127 -1.857 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.096 1.065 -0.979 1.00 0.00 C ATOM 497 CD2 LEU A 41 5.771 -0.097 -2.753 1.00 0.00 C ATOM 0 H LEU A 41 2.240 0.857 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 41 3.602 3.044 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.854 1.769 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.274 0.244 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 41 5.930 2.012 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.983 0.980 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.162 1.972 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.033 0.198 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.674 -0.168 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.675 -0.992 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.902 -0.010 -3.406 1.00 0.00 H new ATOM 509 N ILE A 42 3.647 2.438 -4.017 1.00 0.00 N ATOM 510 CA ILE A 42 3.543 2.157 -5.441 1.00 0.00 C ATOM 511 C ILE A 42 4.891 1.745 -6.020 1.00 0.00 C ATOM 512 O ILE A 42 5.938 1.980 -5.415 1.00 0.00 O ATOM 513 CB ILE A 42 3.002 3.366 -6.228 1.00 0.00 C ATOM 514 CG1 ILE A 42 1.974 4.138 -5.396 1.00 0.00 C ATOM 515 CG2 ILE A 42 2.384 2.898 -7.533 1.00 0.00 C ATOM 516 CD1 ILE A 42 0.917 3.255 -4.771 1.00 0.00 C ATOM 0 H ILE A 42 4.024 3.359 -3.793 1.00 0.00 H new ATOM 0 HA ILE A 42 2.838 1.332 -5.543 1.00 0.00 H new ATOM 0 HB ILE A 42 3.831 4.038 -6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.493 4.684 -4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.488 4.879 -6.030 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.004 3.758 -8.084 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.139 2.389 -8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.565 2.211 -7.322 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.223 3.869 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.372 2.729 -5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.393 2.530 -4.110 1.00 0.00 H new ATOM 528 N GLY A 43 4.854 1.121 -7.191 1.00 0.00 N ATOM 529 CA GLY A 43 6.076 0.671 -7.829 1.00 0.00 C ATOM 530 C GLY A 43 6.701 -0.506 -7.106 1.00 0.00 C ATOM 531 O GLY A 43 6.002 -1.428 -6.688 1.00 0.00 O ATOM 0 H GLY A 43 4.000 0.919 -7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.863 0.390 -8.860 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.790 1.494 -7.864 1.00 0.00 H new ATOM 535 N GLU A 44 8.020 -0.471 -6.951 1.00 0.00 N ATOM 536 CA GLU A 44 8.736 -1.537 -6.267 1.00 0.00 C ATOM 537 C GLU A 44 8.563 -1.424 -4.758 1.00 0.00 C ATOM 538 O GLU A 44 7.944 -0.482 -4.265 1.00 0.00 O ATOM 539 CB GLU A 44 10.221 -1.477 -6.620 1.00 0.00 C ATOM 540 CG GLU A 44 10.810 -0.081 -6.502 1.00 0.00 C ATOM 541 CD GLU A 44 11.343 0.444 -7.821 1.00 0.00 C ATOM 542 OE1 GLU A 44 11.907 -0.358 -8.594 1.00 0.00 O ATOM 543 OE2 GLU A 44 11.198 1.658 -8.080 1.00 0.00 O ATOM 0 H GLU A 44 8.614 0.286 -7.291 1.00 0.00 H new ATOM 0 HA GLU A 44 8.323 -2.491 -6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.771 -2.153 -5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.360 -1.838 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.046 0.600 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.616 -0.092 -5.768 1.00 0.00 H new ATOM 550 N SER A 45 9.132 -2.378 -4.031 1.00 0.00 N ATOM 551 CA SER A 45 9.048 -2.392 -2.581 1.00 0.00 C ATOM 552 C SER A 45 10.307 -2.987 -1.966 1.00 0.00 C ATOM 553 O SER A 45 10.287 -3.477 -0.836 1.00 0.00 O ATOM 554 CB SER A 45 7.842 -3.211 -2.148 1.00 0.00 C ATOM 555 OG SER A 45 7.724 -4.393 -2.921 1.00 0.00 O ATOM 0 H SER A 45 9.659 -3.156 -4.428 1.00 0.00 H new ATOM 0 HA SER A 45 8.945 -1.364 -2.235 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.934 -3.470 -1.093 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.936 -2.613 -2.251 1.00 0.00 H new ATOM 0 HG SER A 45 6.942 -4.903 -2.622 1.00 0.00 H new ATOM 561 N LYS A 46 11.397 -2.953 -2.717 1.00 0.00 N ATOM 562 CA LYS A 46 12.655 -3.516 -2.254 1.00 0.00 C ATOM 563 C LYS A 46 13.846 -2.719 -2.767 1.00 0.00 C ATOM 564 O LYS A 46 13.690 -1.709 -3.451 1.00 0.00 O ATOM 565 CB LYS A 46 12.774 -4.969 -2.716 1.00 0.00 C ATOM 566 CG LYS A 46 12.394 -5.984 -1.651 1.00 0.00 C ATOM 567 CD LYS A 46 13.471 -7.042 -1.477 1.00 0.00 C ATOM 568 CE LYS A 46 12.965 -8.421 -1.870 1.00 0.00 C ATOM 569 NZ LYS A 46 12.038 -8.984 -0.849 1.00 0.00 N ATOM 0 H LYS A 46 11.435 -2.541 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 46 12.661 -3.471 -1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.138 -5.116 -3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.800 -5.157 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.229 -5.473 -0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.453 -6.463 -1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.338 -6.784 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.803 -7.057 -0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.453 -8.360 -2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.812 -9.094 -2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.715 -9.924 -1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.533 -9.066 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.217 -8.355 -0.741 1.00 0.00 H new ATOM 583 N SER A 47 15.037 -3.191 -2.426 1.00 0.00 N ATOM 584 CA SER A 47 16.278 -2.565 -2.860 1.00 0.00 C ATOM 585 C SER A 47 17.394 -3.599 -2.863 1.00 0.00 C ATOM 586 O SER A 47 17.376 -4.531 -2.064 1.00 0.00 O ATOM 587 CB SER A 47 16.642 -1.394 -1.946 1.00 0.00 C ATOM 588 OG SER A 47 16.217 -0.162 -2.502 1.00 0.00 O ATOM 0 H SER A 47 15.170 -4.017 -1.842 1.00 0.00 H new ATOM 0 HA SER A 47 16.143 -2.177 -3.869 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.180 -1.534 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 47 17.720 -1.373 -1.789 1.00 0.00 H new ATOM 0 HG SER A 47 16.925 0.200 -3.074 1.00 0.00 H new ATOM 594 N TYR A 48 18.343 -3.455 -3.778 1.00 0.00 N ATOM 595 CA TYR A 48 19.427 -4.423 -3.894 1.00 0.00 C ATOM 596 C TYR A 48 20.795 -3.759 -3.803 1.00 0.00 C ATOM 597 O TYR A 48 21.151 -2.925 -4.635 1.00 0.00 O ATOM 598 CB TYR A 48 19.301 -5.189 -5.212 1.00 0.00 C ATOM 599 CG TYR A 48 17.869 -5.498 -5.583 1.00 0.00 C ATOM 600 CD1 TYR A 48 17.394 -5.264 -6.866 1.00 0.00 C ATOM 601 CD2 TYR A 48 16.985 -5.998 -4.636 1.00 0.00 C ATOM 602 CE1 TYR A 48 16.081 -5.534 -7.200 1.00 0.00 C ATOM 603 CE2 TYR A 48 15.671 -6.271 -4.961 1.00 0.00 C ATOM 604 CZ TYR A 48 15.224 -6.037 -6.244 1.00 0.00 C ATOM 605 OH TYR A 48 13.916 -6.309 -6.572 1.00 0.00 O ATOM 0 H TYR A 48 18.385 -2.685 -4.446 1.00 0.00 H new ATOM 0 HA TYR A 48 19.343 -5.117 -3.057 1.00 0.00 H new ATOM 0 HB2 TYR A 48 19.759 -4.605 -6.010 1.00 0.00 H new ATOM 0 HB3 TYR A 48 19.860 -6.122 -5.138 1.00 0.00 H new ATOM 0 HD1 TYR A 48 18.062 -4.864 -7.615 1.00 0.00 H new ATOM 0 HD2 TYR A 48 17.331 -6.176 -3.629 1.00 0.00 H new ATOM 0 HE1 TYR A 48 15.728 -5.352 -8.204 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.997 -6.665 -4.215 1.00 0.00 H new ATOM 0 HH TYR A 48 13.447 -6.658 -5.785 1.00 0.00 H new ATOM 615 N CYS A 49 21.564 -4.154 -2.793 1.00 0.00 N ATOM 616 CA CYS A 49 22.910 -3.628 -2.604 1.00 0.00 C ATOM 617 C CYS A 49 23.845 -4.163 -3.680 1.00 0.00 C ATOM 618 O CYS A 49 24.140 -5.358 -3.718 1.00 0.00 O ATOM 619 CB CYS A 49 23.446 -4.013 -1.224 1.00 0.00 C ATOM 620 SG CYS A 49 25.190 -3.566 -0.953 1.00 0.00 S ATOM 0 H CYS A 49 21.277 -4.837 -2.092 1.00 0.00 H new ATOM 0 HA CYS A 49 22.864 -2.542 -2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.835 -3.530 -0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.333 -5.089 -1.089 1.00 0.00 H new ATOM 625 N GLU A 50 24.309 -3.280 -4.555 1.00 0.00 N ATOM 626 CA GLU A 50 25.200 -3.686 -5.632 1.00 0.00 C ATOM 627 C GLU A 50 26.311 -2.669 -5.852 1.00 0.00 C ATOM 628 O GLU A 50 26.426 -1.684 -5.123 1.00 0.00 O ATOM 629 CB GLU A 50 24.411 -3.884 -6.925 1.00 0.00 C ATOM 630 CG GLU A 50 24.240 -5.345 -7.304 1.00 0.00 C ATOM 631 CD GLU A 50 22.784 -5.759 -7.383 1.00 0.00 C ATOM 632 OE1 GLU A 50 22.334 -6.137 -8.485 1.00 0.00 O ATOM 633 OE2 GLU A 50 22.093 -5.701 -6.344 1.00 0.00 O ATOM 0 H GLU A 50 24.085 -2.285 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 50 25.661 -4.630 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 50 23.428 -3.426 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 50 24.918 -3.362 -7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 50 24.718 -5.525 -8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 50 24.752 -5.969 -6.572 1.00 0.00 H new ATOM 640 N LEU A 51 27.133 -2.927 -6.862 1.00 0.00 N ATOM 641 CA LEU A 51 28.248 -2.051 -7.191 1.00 0.00 C ATOM 642 C LEU A 51 27.813 -0.961 -8.166 1.00 0.00 C ATOM 643 O LEU A 51 27.048 -1.217 -9.096 1.00 0.00 O ATOM 644 CB LEU A 51 29.389 -2.868 -7.793 1.00 0.00 C ATOM 645 CG LEU A 51 29.047 -3.549 -9.115 1.00 0.00 C ATOM 646 CD1 LEU A 51 28.679 -5.007 -8.893 1.00 0.00 C ATOM 647 CD2 LEU A 51 30.206 -3.432 -10.091 1.00 0.00 C ATOM 0 H LEU A 51 27.046 -3.741 -7.470 1.00 0.00 H new ATOM 0 HA LEU A 51 28.593 -1.572 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 51 30.247 -2.213 -7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 51 29.693 -3.629 -7.074 1.00 0.00 H new ATOM 0 HG LEU A 51 28.183 -3.043 -9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 51 28.439 -5.471 -9.849 1.00 0.00 H new ATOM 0 HD12 LEU A 51 29.520 -5.529 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 51 27.813 -5.067 -8.233 1.00 0.00 H new ATOM 0 HD21 LEU A 51 29.944 -3.923 -11.028 1.00 0.00 H new ATOM 0 HD22 LEU A 51 30.418 -2.380 -10.280 1.00 0.00 H new ATOM 0 HD23 LEU A 51 31.089 -3.909 -9.666 1.00 0.00 H new ATOM 659 N GLY A 52 28.301 0.255 -7.946 1.00 0.00 N ATOM 660 CA GLY A 52 27.942 1.365 -8.810 1.00 0.00 C ATOM 661 C GLY A 52 29.061 1.761 -9.754 1.00 0.00 C ATOM 662 O GLY A 52 28.902 1.706 -10.973 1.00 0.00 O ATOM 0 H GLY A 52 28.938 0.492 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 52 27.060 1.096 -9.392 1.00 0.00 H new ATOM 0 HA3 GLY A 52 27.670 2.224 -8.196 1.00 0.00 H new ATOM 666 N SER A 53 30.193 2.170 -9.190 1.00 0.00 N ATOM 667 CA SER A 53 31.338 2.590 -9.991 1.00 0.00 C ATOM 668 C SER A 53 32.215 1.400 -10.369 1.00 0.00 C ATOM 669 O SER A 53 33.432 1.433 -10.190 1.00 0.00 O ATOM 670 CB SER A 53 32.168 3.621 -9.224 1.00 0.00 C ATOM 671 OG SER A 53 32.548 4.698 -10.062 1.00 0.00 O ATOM 0 H SER A 53 30.342 2.220 -8.182 1.00 0.00 H new ATOM 0 HA SER A 53 30.958 3.040 -10.908 1.00 0.00 H new ATOM 0 HB2 SER A 53 31.592 4.000 -8.379 1.00 0.00 H new ATOM 0 HB3 SER A 53 33.058 3.143 -8.815 1.00 0.00 H new ATOM 0 HG SER A 53 33.076 5.343 -9.547 1.00 0.00 H new ATOM 677 N THR A 54 31.592 0.353 -10.902 1.00 0.00 N ATOM 678 CA THR A 54 32.323 -0.841 -11.311 1.00 0.00 C ATOM 679 C THR A 54 33.169 -1.379 -10.162 1.00 0.00 C ATOM 680 O THR A 54 34.232 -1.962 -10.379 1.00 0.00 O ATOM 681 CB THR A 54 33.215 -0.528 -12.513 1.00 0.00 C ATOM 682 OG1 THR A 54 34.407 0.115 -12.097 1.00 0.00 O ATOM 683 CG2 THR A 54 32.546 0.360 -13.538 1.00 0.00 C ATOM 0 H THR A 54 30.585 0.307 -11.060 1.00 0.00 H new ATOM 0 HA THR A 54 31.598 -1.604 -11.593 1.00 0.00 H new ATOM 0 HB THR A 54 33.427 -1.492 -12.976 1.00 0.00 H new ATOM 0 HG1 THR A 54 34.185 0.872 -11.516 1.00 0.00 H new ATOM 0 HG21 THR A 54 33.233 0.543 -14.364 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.648 -0.131 -13.914 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.274 1.309 -13.075 1.00 0.00 H new ATOM 691 N GLY A 55 32.692 -1.174 -8.940 1.00 0.00 N ATOM 692 CA GLY A 55 33.415 -1.636 -7.770 1.00 0.00 C ATOM 693 C GLY A 55 32.934 -0.966 -6.499 1.00 0.00 C ATOM 694 O GLY A 55 33.032 -1.535 -5.412 1.00 0.00 O ATOM 0 H GLY A 55 31.815 -0.695 -8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 55 33.299 -2.716 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 55 34.479 -1.440 -7.902 1.00 0.00 H new ATOM 698 N SER A 56 32.406 0.246 -6.639 1.00 0.00 N ATOM 699 CA SER A 56 31.897 0.996 -5.499 1.00 0.00 C ATOM 700 C SER A 56 30.675 0.310 -4.899 1.00 0.00 C ATOM 701 O SER A 56 30.438 -0.875 -5.132 1.00 0.00 O ATOM 702 CB SER A 56 31.539 2.421 -5.925 1.00 0.00 C ATOM 703 OG SER A 56 31.663 3.326 -4.842 1.00 0.00 O ATOM 0 H SER A 56 32.320 0.729 -7.533 1.00 0.00 H new ATOM 0 HA SER A 56 32.678 1.034 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 56 32.191 2.734 -6.740 1.00 0.00 H new ATOM 0 HB3 SER A 56 30.518 2.444 -6.306 1.00 0.00 H new ATOM 0 HG SER A 56 31.430 4.229 -5.142 1.00 0.00 H new ATOM 709 N MET A 57 29.904 1.064 -4.123 1.00 0.00 N ATOM 710 CA MET A 57 28.704 0.535 -3.490 1.00 0.00 C ATOM 711 C MET A 57 27.491 1.386 -3.846 1.00 0.00 C ATOM 712 O MET A 57 27.577 2.612 -3.903 1.00 0.00 O ATOM 713 CB MET A 57 28.884 0.488 -1.972 1.00 0.00 C ATOM 714 CG MET A 57 30.252 -0.015 -1.540 1.00 0.00 C ATOM 715 SD MET A 57 30.175 -1.619 -0.721 1.00 0.00 S ATOM 716 CE MET A 57 30.176 -2.721 -2.133 1.00 0.00 C ATOM 0 H MET A 57 30.090 2.046 -3.918 1.00 0.00 H new ATOM 0 HA MET A 57 28.538 -0.477 -3.858 1.00 0.00 H new ATOM 0 HB2 MET A 57 28.727 1.487 -1.564 1.00 0.00 H new ATOM 0 HB3 MET A 57 28.116 -0.156 -1.543 1.00 0.00 H new ATOM 0 HG2 MET A 57 30.900 -0.088 -2.413 1.00 0.00 H new ATOM 0 HG3 MET A 57 30.706 0.711 -0.866 1.00 0.00 H new ATOM 0 HE1 MET A 57 29.155 -3.037 -2.349 1.00 0.00 H new ATOM 0 HE2 MET A 57 30.586 -2.202 -2.999 1.00 0.00 H new ATOM 0 HE3 MET A 57 30.787 -3.596 -1.911 1.00 0.00 H new ATOM 726 N VAL A 58 26.364 0.729 -4.098 1.00 0.00 N ATOM 727 CA VAL A 58 25.141 1.430 -4.464 1.00 0.00 C ATOM 728 C VAL A 58 23.905 0.618 -4.089 1.00 0.00 C ATOM 729 O VAL A 58 24.013 -0.495 -3.575 1.00 0.00 O ATOM 730 CB VAL A 58 25.104 1.734 -5.970 1.00 0.00 C ATOM 731 CG1 VAL A 58 25.985 2.931 -6.298 1.00 0.00 C ATOM 732 CG2 VAL A 58 25.536 0.513 -6.761 1.00 0.00 C ATOM 0 H VAL A 58 26.273 -0.286 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 58 25.135 2.368 -3.909 1.00 0.00 H new ATOM 0 HB VAL A 58 24.081 1.983 -6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 58 25.945 3.130 -7.369 1.00 0.00 H new ATOM 0 HG12 VAL A 58 25.629 3.805 -5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.013 2.717 -6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 58 25.506 0.740 -7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 58 26.552 0.236 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.861 -0.316 -6.548 1.00 0.00 H new ATOM 742 N TRP A 59 22.732 1.182 -4.357 1.00 0.00 N ATOM 743 CA TRP A 59 21.475 0.521 -4.039 1.00 0.00 C ATOM 744 C TRP A 59 20.492 0.625 -5.202 1.00 0.00 C ATOM 745 O TRP A 59 20.195 1.722 -5.676 1.00 0.00 O ATOM 746 CB TRP A 59 20.863 1.147 -2.788 1.00 0.00 C ATOM 747 CG TRP A 59 21.538 0.726 -1.520 1.00 0.00 C ATOM 748 CD1 TRP A 59 22.511 1.402 -0.842 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.282 -0.467 -0.773 1.00 0.00 C ATOM 750 NE1 TRP A 59 22.877 0.701 0.284 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.137 -0.452 0.344 1.00 0.00 C ATOM 752 CE3 TRP A 59 20.414 -1.548 -0.943 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.145 -1.479 1.286 1.00 0.00 C ATOM 754 CZ3 TRP A 59 20.429 -2.565 -0.012 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.279 -2.521 1.091 1.00 0.00 C ATOM 0 H TRP A 59 22.627 2.097 -4.795 1.00 0.00 H new ATOM 0 HA TRP A 59 21.680 -0.534 -3.857 1.00 0.00 H new ATOM 0 HB2 TRP A 59 20.912 2.233 -2.873 1.00 0.00 H new ATOM 0 HB3 TRP A 59 19.808 0.878 -2.736 1.00 0.00 H new ATOM 0 HD1 TRP A 59 22.932 2.349 -1.145 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.582 0.991 0.962 1.00 0.00 H new ATOM 0 HE3 TRP A 59 19.743 -1.587 -1.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 22.809 -1.454 2.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 19.770 -3.411 -0.140 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.254 -3.328 1.809 1.00 0.00 H new ATOM 766 N ASN A 60 19.979 -0.518 -5.650 1.00 0.00 N ATOM 767 CA ASN A 60 19.037 -0.544 -6.760 1.00 0.00 C ATOM 768 C ASN A 60 18.011 -1.668 -6.590 1.00 0.00 C ATOM 769 O ASN A 60 18.388 -2.826 -6.409 1.00 0.00 O ATOM 770 CB ASN A 60 19.793 -0.741 -8.073 1.00 0.00 C ATOM 771 CG ASN A 60 20.439 0.536 -8.568 1.00 0.00 C ATOM 772 OD1 ASN A 60 19.899 1.225 -9.434 1.00 0.00 O ATOM 773 ND2 ASN A 60 21.604 0.858 -8.019 1.00 0.00 N ATOM 0 H ASN A 60 20.200 -1.435 -5.261 1.00 0.00 H new ATOM 0 HA ASN A 60 18.506 0.408 -6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.560 -1.503 -7.936 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.105 -1.114 -8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 60 22.089 1.706 -8.312 1.00 0.00 H new ATOM 0 HD22 ASN A 60 22.014 0.257 -7.304 1.00 0.00 H new ATOM 780 N PRO A 61 16.696 -1.361 -6.665 1.00 0.00 N ATOM 781 CA PRO A 61 16.184 -0.001 -6.888 1.00 0.00 C ATOM 782 C PRO A 61 16.288 0.872 -5.639 1.00 0.00 C ATOM 783 O PRO A 61 16.997 0.535 -4.692 1.00 0.00 O ATOM 784 CB PRO A 61 14.722 -0.235 -7.260 1.00 0.00 C ATOM 785 CG PRO A 61 14.356 -1.498 -6.564 1.00 0.00 C ATOM 786 CD PRO A 61 15.602 -2.343 -6.543 1.00 0.00 C ATOM 0 HA PRO A 61 16.753 0.531 -7.650 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.093 0.594 -6.935 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.597 -0.326 -8.339 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.005 -1.297 -5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.547 -2.010 -7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 61 15.681 -2.917 -5.619 1.00 0.00 H new ATOM 0 HD3 PRO A 61 15.614 -3.059 -7.365 1.00 0.00 H new ATOM 794 N GLU A 62 15.588 2.004 -5.652 1.00 0.00 N ATOM 795 CA GLU A 62 15.616 2.938 -4.542 1.00 0.00 C ATOM 796 C GLU A 62 14.271 2.967 -3.806 1.00 0.00 C ATOM 797 O GLU A 62 13.546 1.972 -3.784 1.00 0.00 O ATOM 798 CB GLU A 62 15.979 4.325 -5.066 1.00 0.00 C ATOM 799 CG GLU A 62 17.173 4.329 -6.001 1.00 0.00 C ATOM 800 CD GLU A 62 16.861 4.951 -7.348 1.00 0.00 C ATOM 801 OE1 GLU A 62 17.696 5.735 -7.847 1.00 0.00 O ATOM 802 OE2 GLU A 62 15.784 4.653 -7.904 1.00 0.00 O ATOM 0 H GLU A 62 14.992 2.293 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 62 16.369 2.614 -3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.118 4.743 -5.588 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.188 4.980 -4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.993 4.876 -5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.516 3.305 -6.149 1.00 0.00 H new ATOM 809 N ALA A 63 13.951 4.108 -3.195 1.00 0.00 N ATOM 810 CA ALA A 63 12.707 4.271 -2.453 1.00 0.00 C ATOM 811 C ALA A 63 11.533 4.522 -3.398 1.00 0.00 C ATOM 812 O ALA A 63 11.497 5.536 -4.094 1.00 0.00 O ATOM 813 CB ALA A 63 12.839 5.419 -1.465 1.00 0.00 C ATOM 0 H ALA A 63 14.544 4.938 -3.202 1.00 0.00 H new ATOM 0 HA ALA A 63 12.511 3.348 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.905 5.534 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.648 5.207 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.058 6.340 -2.005 1.00 0.00 H new ATOM 819 N PRO A 64 10.543 3.611 -3.427 1.00 0.00 N ATOM 820 CA PRO A 64 9.375 3.739 -4.306 1.00 0.00 C ATOM 821 C PRO A 64 8.416 4.837 -3.848 1.00 0.00 C ATOM 822 O PRO A 64 8.831 5.821 -3.236 1.00 0.00 O ATOM 823 CB PRO A 64 8.700 2.363 -4.217 1.00 0.00 C ATOM 824 CG PRO A 64 9.690 1.477 -3.539 1.00 0.00 C ATOM 825 CD PRO A 64 10.493 2.367 -2.650 1.00 0.00 C ATOM 0 HA PRO A 64 9.662 4.020 -5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.770 2.418 -3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.448 1.984 -5.208 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.188 0.699 -2.963 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.327 0.974 -4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.017 2.511 -1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.488 1.964 -2.461 1.00 0.00 H new ATOM 833 N ILE A 65 7.132 4.664 -4.157 1.00 0.00 N ATOM 834 CA ILE A 65 6.116 5.648 -3.801 1.00 0.00 C ATOM 835 C ILE A 65 5.349 5.229 -2.549 1.00 0.00 C ATOM 836 O ILE A 65 5.433 4.083 -2.113 1.00 0.00 O ATOM 837 CB ILE A 65 5.114 5.851 -4.951 1.00 0.00 C ATOM 838 CG1 ILE A 65 5.832 5.823 -6.303 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.360 7.156 -4.778 1.00 0.00 C ATOM 840 CD1 ILE A 65 6.942 6.845 -6.420 1.00 0.00 C ATOM 0 H ILE A 65 6.772 3.849 -4.654 1.00 0.00 H new ATOM 0 HA ILE A 65 6.639 6.584 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 65 4.395 5.032 -4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.247 4.828 -6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.104 5.997 -7.095 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.656 7.282 -5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.815 7.139 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.066 7.986 -4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.406 6.767 -7.403 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.530 7.846 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.691 6.659 -5.650 1.00 0.00 H new ATOM 852 N CYS A 66 4.588 6.164 -1.986 1.00 0.00 N ATOM 853 CA CYS A 66 3.790 5.895 -0.797 1.00 0.00 C ATOM 854 C CYS A 66 2.691 6.940 -0.636 1.00 0.00 C ATOM 855 O CYS A 66 2.955 8.142 -0.671 1.00 0.00 O ATOM 856 CB CYS A 66 4.677 5.878 0.447 1.00 0.00 C ATOM 857 SG CYS A 66 5.152 4.207 0.997 1.00 0.00 S ATOM 0 H CYS A 66 4.508 7.118 -2.337 1.00 0.00 H new ATOM 0 HA CYS A 66 3.325 4.916 -0.915 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.581 6.453 0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.154 6.382 1.260 1.00 0.00 H new ATOM 862 N GLU A 67 1.457 6.475 -0.463 1.00 0.00 N ATOM 863 CA GLU A 67 0.318 7.373 -0.303 1.00 0.00 C ATOM 864 C GLU A 67 -0.786 6.713 0.516 1.00 0.00 C ATOM 865 O GLU A 67 -0.662 5.560 0.923 1.00 0.00 O ATOM 866 CB GLU A 67 -0.226 7.785 -1.671 1.00 0.00 C ATOM 867 CG GLU A 67 -0.338 9.289 -1.854 1.00 0.00 C ATOM 868 CD GLU A 67 -1.774 9.757 -1.979 1.00 0.00 C ATOM 869 OE1 GLU A 67 -2.144 10.254 -3.063 1.00 0.00 O ATOM 870 OE2 GLU A 67 -2.530 9.625 -0.993 1.00 0.00 O ATOM 0 H GLU A 67 1.221 5.483 -0.430 1.00 0.00 H new ATOM 0 HA GLU A 67 0.659 8.261 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.423 7.380 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.209 7.336 -1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.131 9.790 -1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.215 9.585 -2.745 1.00 0.00 H new ATOM 877 N SER A 68 -1.867 7.449 0.753 1.00 0.00 N ATOM 878 CA SER A 68 -2.987 6.926 1.527 1.00 0.00 C ATOM 879 C SER A 68 -3.880 6.041 0.669 1.00 0.00 C ATOM 880 O SER A 68 -4.448 6.485 -0.328 1.00 0.00 O ATOM 881 CB SER A 68 -3.804 8.071 2.129 1.00 0.00 C ATOM 882 OG SER A 68 -4.466 8.814 1.120 1.00 0.00 O ATOM 0 H SER A 68 -1.991 8.406 0.422 1.00 0.00 H new ATOM 0 HA SER A 68 -2.580 6.319 2.336 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.537 7.670 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.148 8.730 2.698 1.00 0.00 H new ATOM 0 HG SER A 68 -3.821 9.077 0.431 1.00 0.00 H new ATOM 888 N VAL A 69 -3.999 4.782 1.076 1.00 0.00 N ATOM 889 CA VAL A 69 -4.820 3.811 0.366 1.00 0.00 C ATOM 890 C VAL A 69 -6.182 4.392 -0.002 1.00 0.00 C ATOM 891 O VAL A 69 -7.109 4.386 0.809 1.00 0.00 O ATOM 892 CB VAL A 69 -5.038 2.547 1.214 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.442 2.925 2.628 1.00 0.00 C ATOM 894 CG2 VAL A 69 -3.791 1.681 1.225 1.00 0.00 C ATOM 0 H VAL A 69 -3.532 4.408 1.902 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.282 3.553 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.845 1.967 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.593 2.021 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.655 3.527 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.368 3.499 2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.970 0.793 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.547 1.381 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.959 2.246 1.646 1.00 0.00 H new ATOM 904 N LYS A 70 -6.299 4.882 -1.230 1.00 0.00 N ATOM 905 CA LYS A 70 -7.549 5.463 -1.705 1.00 0.00 C ATOM 906 C LYS A 70 -8.507 4.380 -2.192 1.00 0.00 C ATOM 907 O LYS A 70 -8.211 3.659 -3.145 1.00 0.00 O ATOM 908 CB LYS A 70 -7.273 6.455 -2.836 1.00 0.00 C ATOM 909 CG LYS A 70 -7.265 7.906 -2.384 1.00 0.00 C ATOM 910 CD LYS A 70 -8.651 8.524 -2.472 1.00 0.00 C ATOM 911 CE LYS A 70 -8.708 9.864 -1.758 1.00 0.00 C ATOM 912 NZ LYS A 70 -9.027 10.978 -2.692 1.00 0.00 N ATOM 0 H LYS A 70 -5.544 4.889 -1.915 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.016 5.986 -0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.310 6.219 -3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.029 6.329 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.903 7.967 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.571 8.477 -3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.926 8.656 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.382 7.845 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.461 9.824 -0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.751 10.059 -1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.057 11.875 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.296 11.033 -3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.952 10.806 -3.135 1.00 0.00 H new ATOM 926 N CYS A 71 -9.661 4.276 -1.538 1.00 0.00 N ATOM 927 CA CYS A 71 -10.671 3.294 -1.919 1.00 0.00 C ATOM 928 C CYS A 71 -11.770 3.962 -2.735 1.00 0.00 C ATOM 929 O CYS A 71 -12.466 4.851 -2.244 1.00 0.00 O ATOM 930 CB CYS A 71 -11.292 2.602 -0.693 1.00 0.00 C ATOM 931 SG CYS A 71 -10.565 3.050 0.923 1.00 0.00 S ATOM 0 H CYS A 71 -9.919 4.859 -0.742 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.173 2.533 -2.520 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.357 2.834 -0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.204 1.524 -0.824 1.00 0.00 H new ATOM 936 N GLN A 72 -11.916 3.536 -3.981 1.00 0.00 N ATOM 937 CA GLN A 72 -12.926 4.103 -4.862 1.00 0.00 C ATOM 938 C GLN A 72 -14.329 3.682 -4.423 1.00 0.00 C ATOM 939 O GLN A 72 -14.546 3.334 -3.262 1.00 0.00 O ATOM 940 CB GLN A 72 -12.650 3.694 -6.314 1.00 0.00 C ATOM 941 CG GLN A 72 -13.191 2.325 -6.686 1.00 0.00 C ATOM 942 CD GLN A 72 -12.226 1.524 -7.537 1.00 0.00 C ATOM 943 OE1 GLN A 72 -12.513 1.205 -8.691 1.00 0.00 O ATOM 944 NE2 GLN A 72 -11.074 1.189 -6.967 1.00 0.00 N ATOM 0 H GLN A 72 -11.349 2.801 -4.404 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.875 5.190 -4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -13.087 4.439 -6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -11.574 3.706 -6.485 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -13.414 1.768 -5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -14.131 2.445 -7.225 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.878 1.475 -6.008 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.386 0.646 -7.489 1.00 0.00 H new ATOM 953 N SER A 73 -15.277 3.715 -5.355 1.00 0.00 N ATOM 954 CA SER A 73 -16.654 3.344 -5.057 1.00 0.00 C ATOM 955 C SER A 73 -16.715 2.008 -4.316 1.00 0.00 C ATOM 956 O SER A 73 -15.989 1.072 -4.652 1.00 0.00 O ATOM 957 CB SER A 73 -17.466 3.260 -6.350 1.00 0.00 C ATOM 958 OG SER A 73 -18.573 2.388 -6.204 1.00 0.00 O ATOM 0 H SER A 73 -15.116 3.995 -6.322 1.00 0.00 H new ATOM 0 HA SER A 73 -17.081 4.112 -4.412 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.817 4.254 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.828 2.909 -7.161 1.00 0.00 H new ATOM 0 HG SER A 73 -18.683 1.859 -7.022 1.00 0.00 H new ATOM 964 N PRO A 74 -17.584 1.899 -3.295 1.00 0.00 N ATOM 965 CA PRO A 74 -17.730 0.664 -2.517 1.00 0.00 C ATOM 966 C PRO A 74 -18.163 -0.513 -3.389 1.00 0.00 C ATOM 967 O PRO A 74 -18.656 -0.322 -4.501 1.00 0.00 O ATOM 968 CB PRO A 74 -18.815 1.001 -1.484 1.00 0.00 C ATOM 969 CG PRO A 74 -18.880 2.491 -1.452 1.00 0.00 C ATOM 970 CD PRO A 74 -18.491 2.958 -2.825 1.00 0.00 C ATOM 0 HA PRO A 74 -16.788 0.356 -2.064 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -19.776 0.572 -1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.563 0.597 -0.503 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -19.883 2.831 -1.195 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.204 2.894 -0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.359 3.063 -3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -17.996 3.929 -2.795 1.00 0.00 H new ATOM 978 N PRO A 75 -17.965 -1.750 -2.903 1.00 0.00 N ATOM 979 CA PRO A 75 -18.333 -2.958 -3.643 1.00 0.00 C ATOM 980 C PRO A 75 -19.690 -2.840 -4.326 1.00 0.00 C ATOM 981 O PRO A 75 -20.540 -2.050 -3.915 1.00 0.00 O ATOM 982 CB PRO A 75 -18.374 -4.028 -2.556 1.00 0.00 C ATOM 983 CG PRO A 75 -17.373 -3.576 -1.549 1.00 0.00 C ATOM 984 CD PRO A 75 -17.382 -2.068 -1.585 1.00 0.00 C ATOM 0 HA PRO A 75 -17.633 -3.170 -4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -19.369 -4.110 -2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -18.119 -5.010 -2.956 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -17.630 -3.942 -0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -16.382 -3.964 -1.785 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -17.979 -1.652 -0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -16.377 -1.660 -1.483 1.00 0.00 H new ATOM 992 N SER A 76 -19.883 -3.634 -5.373 1.00 0.00 N ATOM 993 CA SER A 76 -21.139 -3.635 -6.112 1.00 0.00 C ATOM 994 C SER A 76 -21.918 -4.916 -5.841 1.00 0.00 C ATOM 995 O SER A 76 -21.754 -5.915 -6.541 1.00 0.00 O ATOM 996 CB SER A 76 -20.874 -3.493 -7.612 1.00 0.00 C ATOM 997 OG SER A 76 -21.953 -2.842 -8.261 1.00 0.00 O ATOM 0 H SER A 76 -19.184 -4.286 -5.729 1.00 0.00 H new ATOM 0 HA SER A 76 -21.734 -2.786 -5.776 1.00 0.00 H new ATOM 0 HB2 SER A 76 -19.956 -2.928 -7.770 1.00 0.00 H new ATOM 0 HB3 SER A 76 -20.722 -4.478 -8.052 1.00 0.00 H new ATOM 0 HG SER A 76 -21.759 -2.762 -9.218 1.00 0.00 H new ATOM 1003 N ILE A 77 -22.774 -4.876 -4.826 1.00 0.00 N ATOM 1004 CA ILE A 77 -23.567 -6.041 -4.452 1.00 0.00 C ATOM 1005 C ILE A 77 -24.617 -6.359 -5.510 1.00 0.00 C ATOM 1006 O ILE A 77 -24.739 -5.653 -6.511 1.00 0.00 O ATOM 1007 CB ILE A 77 -24.270 -5.837 -3.094 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -25.326 -4.732 -3.188 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -23.252 -5.508 -2.017 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -26.309 -4.739 -2.038 1.00 0.00 C ATOM 0 H ILE A 77 -22.936 -4.051 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 77 -22.872 -6.877 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 77 -24.773 -6.766 -2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -24.826 -3.764 -3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -25.873 -4.842 -4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -23.763 -5.367 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -22.539 -6.327 -1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -22.723 -4.593 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.028 -3.930 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -26.836 -5.693 -2.015 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -25.772 -4.599 -1.100 1.00 0.00 H new ATOM 1022 N SER A 78 -25.371 -7.427 -5.279 1.00 0.00 N ATOM 1023 CA SER A 78 -26.417 -7.838 -6.205 1.00 0.00 C ATOM 1024 C SER A 78 -27.781 -7.364 -5.723 1.00 0.00 C ATOM 1025 O SER A 78 -28.076 -7.400 -4.528 1.00 0.00 O ATOM 1026 CB SER A 78 -26.423 -9.360 -6.364 1.00 0.00 C ATOM 1027 OG SER A 78 -25.119 -9.893 -6.219 1.00 0.00 O ATOM 0 H SER A 78 -25.277 -8.024 -4.457 1.00 0.00 H new ATOM 0 HA SER A 78 -26.210 -7.381 -7.173 1.00 0.00 H new ATOM 0 HB2 SER A 78 -27.085 -9.804 -5.621 1.00 0.00 H new ATOM 0 HB3 SER A 78 -26.821 -9.625 -7.344 1.00 0.00 H new ATOM 0 HG SER A 78 -25.150 -10.867 -6.323 1.00 0.00 H new ATOM 1033 N ASN A 79 -28.609 -6.916 -6.658 1.00 0.00 N ATOM 1034 CA ASN A 79 -29.945 -6.433 -6.328 1.00 0.00 C ATOM 1035 C ASN A 79 -29.863 -5.194 -5.447 1.00 0.00 C ATOM 1036 O ASN A 79 -30.759 -4.928 -4.646 1.00 0.00 O ATOM 1037 CB ASN A 79 -30.773 -7.518 -5.619 1.00 0.00 C ATOM 1038 CG ASN A 79 -30.254 -8.920 -5.839 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -29.740 -9.559 -4.921 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -30.388 -9.405 -7.057 1.00 0.00 N ATOM 0 H ASN A 79 -28.380 -6.877 -7.651 1.00 0.00 H new ATOM 0 HA ASN A 79 -30.442 -6.177 -7.264 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -30.788 -7.310 -4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -31.804 -7.463 -5.969 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -30.059 -10.347 -7.270 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -30.821 -8.839 -7.787 1.00 0.00 H new ATOM 1047 N GLY A 80 -28.788 -4.431 -5.608 1.00 0.00 N ATOM 1048 CA GLY A 80 -28.618 -3.225 -4.824 1.00 0.00 C ATOM 1049 C GLY A 80 -27.476 -2.361 -5.316 1.00 0.00 C ATOM 1050 O GLY A 80 -26.977 -2.547 -6.426 1.00 0.00 O ATOM 0 H GLY A 80 -28.034 -4.626 -6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -29.542 -2.647 -4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -28.440 -3.496 -3.783 1.00 0.00 H new ATOM 1054 N ARG A 81 -27.069 -1.409 -4.487 1.00 0.00 N ATOM 1055 CA ARG A 81 -25.988 -0.499 -4.831 1.00 0.00 C ATOM 1056 C ARG A 81 -25.548 0.295 -3.611 1.00 0.00 C ATOM 1057 O ARG A 81 -26.036 0.072 -2.503 1.00 0.00 O ATOM 1058 CB ARG A 81 -26.424 0.454 -5.944 1.00 0.00 C ATOM 1059 CG ARG A 81 -27.889 0.853 -5.879 1.00 0.00 C ATOM 1060 CD ARG A 81 -28.381 1.365 -7.222 1.00 0.00 C ATOM 1061 NE ARG A 81 -29.797 1.717 -7.190 1.00 0.00 N ATOM 1062 CZ ARG A 81 -30.562 1.792 -8.275 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -31.843 2.119 -8.163 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -30.050 1.541 -9.472 1.00 0.00 N ATOM 0 H ARG A 81 -27.475 -1.248 -3.566 1.00 0.00 H new ATOM 0 HA ARG A 81 -25.145 -1.092 -5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -25.811 1.354 -5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -26.229 -0.016 -6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -28.488 -0.004 -5.572 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.025 1.625 -5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -27.797 2.238 -7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -28.214 0.603 -7.983 1.00 0.00 H new ATOM 0 HE ARG A 81 -30.223 1.917 -6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -32.241 2.313 -7.244 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -32.429 2.176 -8.996 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -29.066 1.289 -9.563 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -30.640 1.600 -10.302 1.00 0.00 H new ATOM 1078 N HIS A 82 -24.627 1.224 -3.820 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.118 2.046 -2.730 1.00 0.00 C ATOM 1080 C HIS A 82 -24.559 3.497 -2.879 1.00 0.00 C ATOM 1081 O HIS A 82 -25.067 3.899 -3.926 1.00 0.00 O ATOM 1082 CB HIS A 82 -22.594 1.967 -2.679 1.00 0.00 C ATOM 1083 CG HIS A 82 -21.950 2.082 -4.023 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -21.699 3.291 -4.637 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -21.516 1.129 -4.883 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -21.133 3.078 -5.811 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -21.013 1.775 -5.984 1.00 0.00 N ATOM 0 H HIS A 82 -24.217 1.428 -4.732 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.530 1.660 -1.798 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.217 2.761 -2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.301 1.021 -2.223 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.558 0.061 -4.730 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -20.821 3.840 -6.510 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -20.611 1.321 -6.804 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.364 4.277 -1.820 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.738 5.687 -1.828 1.00 0.00 C ATOM 1098 C ASN A 83 -23.527 6.565 -2.122 1.00 0.00 C ATOM 1099 O ASN A 83 -23.294 6.958 -3.265 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.353 6.080 -0.484 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.722 5.467 -0.272 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -27.407 5.102 -1.227 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -27.129 5.354 0.986 1.00 0.00 N ATOM 0 H ASN A 83 -23.949 3.956 -0.945 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.476 5.839 -2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.689 5.766 0.322 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -25.432 7.166 -0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -28.043 4.951 1.192 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -26.528 5.670 1.747 1.00 0.00 H new ATOM 1110 N GLY A 84 -22.757 6.868 -1.082 1.00 0.00 N ATOM 1111 CA GLY A 84 -21.573 7.685 -1.251 1.00 0.00 C ATOM 1112 C GLY A 84 -21.885 9.069 -1.782 1.00 0.00 C ATOM 1113 O GLY A 84 -22.795 9.240 -2.594 1.00 0.00 O ATOM 0 H GLY A 84 -22.933 6.561 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.060 7.775 -0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -20.887 7.185 -1.934 1.00 0.00 H new ATOM 1117 N TYR A 85 -21.118 10.057 -1.333 1.00 0.00 N ATOM 1118 CA TYR A 85 -21.307 11.433 -1.770 1.00 0.00 C ATOM 1119 C TYR A 85 -20.126 11.899 -2.612 1.00 0.00 C ATOM 1120 O TYR A 85 -20.274 12.727 -3.510 1.00 0.00 O ATOM 1121 CB TYR A 85 -21.481 12.353 -0.559 1.00 0.00 C ATOM 1122 CG TYR A 85 -22.230 11.714 0.589 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -23.607 11.853 0.708 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -21.560 10.967 1.550 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -24.295 11.269 1.755 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -22.241 10.380 2.599 1.00 0.00 C ATOM 1127 CZ TYR A 85 -23.608 10.534 2.697 1.00 0.00 C ATOM 1128 OH TYR A 85 -24.290 9.950 3.740 1.00 0.00 O ATOM 0 H TYR A 85 -20.358 9.928 -0.665 1.00 0.00 H new ATOM 0 HA TYR A 85 -22.207 11.476 -2.383 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -20.498 12.668 -0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -22.011 13.253 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -24.149 12.427 -0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -20.490 10.843 1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -25.365 11.388 1.834 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -21.705 9.803 3.339 1.00 0.00 H new ATOM 0 HH TYR A 85 -23.659 9.467 4.314 1.00 0.00 H new ATOM 1138 N GLU A 86 -18.955 11.349 -2.316 1.00 0.00 N ATOM 1139 CA GLU A 86 -17.736 11.698 -3.030 1.00 0.00 C ATOM 1140 C GLU A 86 -17.448 10.694 -4.143 1.00 0.00 C ATOM 1141 O GLU A 86 -18.272 9.829 -4.441 1.00 0.00 O ATOM 1142 CB GLU A 86 -16.561 11.748 -2.053 1.00 0.00 C ATOM 1143 CG GLU A 86 -16.245 13.148 -1.558 1.00 0.00 C ATOM 1144 CD GLU A 86 -14.833 13.582 -1.896 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -14.584 14.805 -1.949 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -13.974 12.700 -2.104 1.00 0.00 O ATOM 0 H GLU A 86 -18.825 10.654 -1.580 1.00 0.00 H new ATOM 0 HA GLU A 86 -17.872 12.679 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -16.783 11.110 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.677 11.335 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.952 13.852 -1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.384 13.187 -0.478 1.00 0.00 H new ATOM 1153 N ASP A 87 -16.271 10.814 -4.750 1.00 0.00 N ATOM 1154 CA ASP A 87 -15.873 9.917 -5.829 1.00 0.00 C ATOM 1155 C ASP A 87 -14.863 8.884 -5.339 1.00 0.00 C ATOM 1156 O ASP A 87 -14.754 7.793 -5.897 1.00 0.00 O ATOM 1157 CB ASP A 87 -15.278 10.715 -6.990 1.00 0.00 C ATOM 1158 CG ASP A 87 -15.876 10.324 -8.327 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -15.799 9.130 -8.686 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -16.421 11.212 -9.017 1.00 0.00 O ATOM 0 H ASP A 87 -15.577 11.523 -4.513 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.763 9.391 -6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -15.443 11.779 -6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -14.199 10.560 -7.018 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.129 9.238 -4.292 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.124 8.348 -3.723 1.00 0.00 C ATOM 1167 C PHE A 88 -13.267 8.265 -2.206 1.00 0.00 C ATOM 1168 O PHE A 88 -14.074 8.979 -1.610 1.00 0.00 O ATOM 1169 CB PHE A 88 -11.721 8.836 -4.085 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.190 8.254 -5.359 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -10.295 7.200 -5.328 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -11.575 8.768 -6.585 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -9.797 6.664 -6.497 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -11.082 8.236 -7.759 1.00 0.00 C ATOM 1175 CZ PHE A 88 -10.190 7.181 -7.716 1.00 0.00 C ATOM 0 H PHE A 88 -14.211 10.138 -3.818 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.277 7.353 -4.140 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.735 9.923 -4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.039 8.589 -3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.983 6.792 -4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.269 9.595 -6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.100 5.840 -6.459 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.393 8.643 -8.710 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.802 6.762 -8.633 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.476 7.394 -1.586 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.518 7.224 -0.138 1.00 0.00 C ATOM 1187 C TYR A 89 -11.145 6.849 0.411 1.00 0.00 C ATOM 1188 O TYR A 89 -10.263 6.421 -0.333 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.543 6.154 0.240 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.935 6.444 -0.271 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.272 6.209 -1.598 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.909 6.961 0.573 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.543 6.472 -2.067 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -17.183 7.230 0.109 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.494 6.982 -1.210 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.760 7.251 -1.675 1.00 0.00 O ATOM 0 H TYR A 89 -11.800 6.797 -2.062 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.815 8.175 0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.214 5.192 -0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.575 6.061 1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.527 5.814 -2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.668 7.156 1.607 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -16.791 6.279 -3.100 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -17.930 7.632 0.777 1.00 0.00 H new ATOM 0 HH TYR A 89 -18.890 6.813 -2.542 1.00 0.00 H new ATOM 1206 N THR A 90 -10.974 7.015 1.718 1.00 0.00 N ATOM 1207 CA THR A 90 -9.708 6.703 2.369 1.00 0.00 C ATOM 1208 C THR A 90 -9.935 5.951 3.678 1.00 0.00 C ATOM 1209 O THR A 90 -11.064 5.594 4.012 1.00 0.00 O ATOM 1210 CB THR A 90 -8.920 7.989 2.631 1.00 0.00 C ATOM 1211 OG1 THR A 90 -9.757 8.981 3.201 1.00 0.00 O ATOM 1212 CG2 THR A 90 -8.299 8.572 1.382 1.00 0.00 C ATOM 0 H THR A 90 -11.697 7.364 2.347 1.00 0.00 H new ATOM 0 HA THR A 90 -9.133 6.060 1.703 1.00 0.00 H new ATOM 0 HB THR A 90 -8.121 7.707 3.316 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.236 9.795 3.363 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.755 9.482 1.637 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.611 7.848 0.946 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.083 8.807 0.662 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.854 5.706 4.410 1.00 0.00 N ATOM 1221 CA ASP A 91 -8.934 4.991 5.676 1.00 0.00 C ATOM 1222 C ASP A 91 -9.778 5.749 6.683 1.00 0.00 C ATOM 1223 O ASP A 91 -9.283 6.610 7.410 1.00 0.00 O ATOM 1224 CB ASP A 91 -7.539 4.761 6.252 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.542 4.317 5.202 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -6.196 3.117 5.184 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -6.103 5.170 4.403 1.00 0.00 O ATOM 0 H ASP A 91 -7.911 5.993 4.147 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.406 4.029 5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.186 5.681 6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.594 4.007 7.038 1.00 0.00 H new ATOM 1232 N GLY A 92 -11.052 5.406 6.730 1.00 0.00 N ATOM 1233 CA GLY A 92 -11.951 6.029 7.677 1.00 0.00 C ATOM 1234 C GLY A 92 -13.188 6.618 7.026 1.00 0.00 C ATOM 1235 O GLY A 92 -13.744 7.600 7.519 1.00 0.00 O ATOM 0 H GLY A 92 -11.483 4.705 6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.255 5.291 8.419 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.418 6.817 8.210 1.00 0.00 H new ATOM 1239 N SER A 93 -13.629 6.019 5.925 1.00 0.00 N ATOM 1240 CA SER A 93 -14.822 6.493 5.230 1.00 0.00 C ATOM 1241 C SER A 93 -15.968 5.501 5.393 1.00 0.00 C ATOM 1242 O SER A 93 -15.744 4.316 5.633 1.00 0.00 O ATOM 1243 CB SER A 93 -14.528 6.716 3.745 1.00 0.00 C ATOM 1244 OG SER A 93 -13.133 6.746 3.500 1.00 0.00 O ATOM 0 H SER A 93 -13.182 5.209 5.496 1.00 0.00 H new ATOM 0 HA SER A 93 -15.117 7.444 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.987 5.921 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.978 7.654 3.419 1.00 0.00 H new ATOM 0 HG SER A 93 -12.748 5.865 3.690 1.00 0.00 H new ATOM 1250 N VAL A 94 -17.197 5.991 5.272 1.00 0.00 N ATOM 1251 CA VAL A 94 -18.368 5.139 5.414 1.00 0.00 C ATOM 1252 C VAL A 94 -19.373 5.388 4.294 1.00 0.00 C ATOM 1253 O VAL A 94 -19.467 6.491 3.756 1.00 0.00 O ATOM 1254 CB VAL A 94 -19.053 5.345 6.784 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -18.112 4.934 7.904 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -20.359 4.564 6.873 1.00 0.00 C ATOM 0 H VAL A 94 -17.406 6.970 5.077 1.00 0.00 H new ATOM 0 HA VAL A 94 -18.020 4.108 5.350 1.00 0.00 H new ATOM 0 HB VAL A 94 -19.291 6.404 6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.604 5.083 8.865 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.848 3.883 7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -17.208 5.541 7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -20.816 4.730 7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -21.039 4.902 6.091 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -20.157 3.501 6.743 1.00 0.00 H new ATOM 1266 N VAL A 95 -20.122 4.347 3.958 1.00 0.00 N ATOM 1267 CA VAL A 95 -21.133 4.427 2.913 1.00 0.00 C ATOM 1268 C VAL A 95 -22.307 3.513 3.236 1.00 0.00 C ATOM 1269 O VAL A 95 -22.138 2.475 3.875 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.558 4.037 1.540 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.568 4.301 0.435 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -19.263 4.784 1.272 1.00 0.00 C ATOM 0 H VAL A 95 -20.047 3.430 4.398 1.00 0.00 H new ATOM 0 HA VAL A 95 -21.471 5.462 2.870 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.342 2.969 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.138 4.017 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.468 3.714 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.822 5.361 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.871 4.495 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -19.453 5.857 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.534 4.536 2.043 1.00 0.00 H new ATOM 1282 N THR A 96 -23.495 3.903 2.797 1.00 0.00 N ATOM 1283 CA THR A 96 -24.690 3.110 3.046 1.00 0.00 C ATOM 1284 C THR A 96 -25.227 2.508 1.756 1.00 0.00 C ATOM 1285 O THR A 96 -25.525 3.219 0.797 1.00 0.00 O ATOM 1286 CB THR A 96 -25.767 3.961 3.717 1.00 0.00 C ATOM 1287 OG1 THR A 96 -25.369 5.319 3.776 1.00 0.00 O ATOM 1288 CG2 THR A 96 -26.087 3.511 5.125 1.00 0.00 C ATOM 0 H THR A 96 -23.657 4.760 2.269 1.00 0.00 H new ATOM 0 HA THR A 96 -24.416 2.295 3.716 1.00 0.00 H new ATOM 0 HB THR A 96 -26.659 3.841 3.102 1.00 0.00 H new ATOM 0 HG1 THR A 96 -26.073 5.848 4.207 1.00 0.00 H new ATOM 0 HG21 THR A 96 -26.859 4.155 5.546 1.00 0.00 H new ATOM 0 HG22 THR A 96 -26.445 2.482 5.106 1.00 0.00 H new ATOM 0 HG23 THR A 96 -25.189 3.571 5.739 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.345 1.187 1.747 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.829 0.466 0.579 1.00 0.00 C ATOM 1298 C TYR A 97 -27.346 0.534 0.471 1.00 0.00 C ATOM 1299 O TYR A 97 -28.038 0.837 1.443 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.377 -0.988 0.648 1.00 0.00 C ATOM 1301 CG TYR A 97 -23.997 -1.220 0.089 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -22.928 -0.430 0.485 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -23.760 -2.239 -0.823 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -21.662 -0.640 -0.019 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -22.496 -2.457 -1.332 1.00 0.00 C ATOM 1306 CZ TYR A 97 -21.450 -1.657 -0.924 1.00 0.00 C ATOM 1307 OH TYR A 97 -20.191 -1.868 -1.433 1.00 0.00 O ATOM 0 H TYR A 97 -25.110 0.591 2.541 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.409 0.939 -0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.399 -1.317 1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.089 -1.607 0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -23.090 0.363 1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -24.577 -2.871 -1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -20.842 -0.011 0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -22.327 -3.250 -2.046 1.00 0.00 H new ATOM 0 HH TYR A 97 -20.168 -1.592 -2.373 1.00 0.00 H new ATOM 1317 N SER A 98 -27.857 0.247 -0.720 1.00 0.00 N ATOM 1318 CA SER A 98 -29.296 0.278 -0.958 1.00 0.00 C ATOM 1319 C SER A 98 -29.697 -0.679 -2.076 1.00 0.00 C ATOM 1320 O SER A 98 -29.084 -0.694 -3.143 1.00 0.00 O ATOM 1321 CB SER A 98 -29.743 1.698 -1.308 1.00 0.00 C ATOM 1322 OG SER A 98 -29.411 2.608 -0.273 1.00 0.00 O ATOM 0 H SER A 98 -27.299 -0.009 -1.534 1.00 0.00 H new ATOM 0 HA SER A 98 -29.791 -0.043 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A 98 -29.270 2.012 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 98 -30.820 1.712 -1.477 1.00 0.00 H new ATOM 0 HG SER A 98 -28.810 3.297 -0.624 1.00 0.00 H new ATOM 1328 N CYS A 99 -30.748 -1.458 -1.832 1.00 0.00 N ATOM 1329 CA CYS A 99 -31.244 -2.409 -2.821 1.00 0.00 C ATOM 1330 C CYS A 99 -31.883 -1.680 -4.000 1.00 0.00 C ATOM 1331 O CYS A 99 -32.192 -0.492 -3.911 1.00 0.00 O ATOM 1332 CB CYS A 99 -32.262 -3.353 -2.181 1.00 0.00 C ATOM 1333 SG CYS A 99 -31.581 -4.369 -0.830 1.00 0.00 S ATOM 0 H CYS A 99 -31.272 -1.449 -0.957 1.00 0.00 H new ATOM 0 HA CYS A 99 -30.399 -2.990 -3.189 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.095 -2.765 -1.796 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -32.665 -4.012 -2.950 1.00 0.00 H new ATOM 1338 N ASN A 100 -32.074 -2.395 -5.107 1.00 0.00 N ATOM 1339 CA ASN A 100 -32.687 -1.806 -6.295 1.00 0.00 C ATOM 1340 C ASN A 100 -34.165 -2.173 -6.384 1.00 0.00 C ATOM 1341 O ASN A 100 -35.030 -1.417 -5.941 1.00 0.00 O ATOM 1342 CB ASN A 100 -31.963 -2.245 -7.577 1.00 0.00 C ATOM 1343 CG ASN A 100 -31.309 -3.611 -7.467 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -31.929 -4.575 -7.017 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -30.055 -3.700 -7.896 1.00 0.00 N ATOM 0 H ASN A 100 -31.815 -3.377 -5.206 1.00 0.00 H new ATOM 0 HA ASN A 100 -32.596 -0.724 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -32.676 -2.258 -8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -31.202 -1.506 -7.826 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -29.566 -4.594 -7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -29.581 -2.874 -8.261 1.00 0.00 H new ATOM 1352 N SER A 101 -34.446 -3.340 -6.954 1.00 0.00 N ATOM 1353 CA SER A 101 -35.821 -3.812 -7.110 1.00 0.00 C ATOM 1354 C SER A 101 -36.635 -3.592 -5.836 1.00 0.00 C ATOM 1355 O SER A 101 -37.853 -3.418 -5.889 1.00 0.00 O ATOM 1356 CB SER A 101 -35.832 -5.296 -7.480 1.00 0.00 C ATOM 1357 OG SER A 101 -37.050 -5.657 -8.109 1.00 0.00 O ATOM 0 H SER A 101 -33.739 -3.979 -7.317 1.00 0.00 H new ATOM 0 HA SER A 101 -36.281 -3.234 -7.912 1.00 0.00 H new ATOM 0 HB2 SER A 101 -34.997 -5.514 -8.146 1.00 0.00 H new ATOM 0 HB3 SER A 101 -35.690 -5.899 -6.583 1.00 0.00 H new ATOM 0 HG SER A 101 -37.031 -6.610 -8.337 1.00 0.00 H new ATOM 1363 N GLY A 102 -35.956 -3.602 -4.693 1.00 0.00 N ATOM 1364 CA GLY A 102 -36.634 -3.394 -3.428 1.00 0.00 C ATOM 1365 C GLY A 102 -36.349 -4.492 -2.422 1.00 0.00 C ATOM 1366 O GLY A 102 -37.221 -4.865 -1.637 1.00 0.00 O ATOM 0 H GLY A 102 -34.949 -3.750 -4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.327 -2.435 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -37.709 -3.337 -3.602 1.00 0.00 H new ATOM 1370 N TYR A 103 -35.124 -5.007 -2.439 1.00 0.00 N ATOM 1371 CA TYR A 103 -34.725 -6.055 -1.515 1.00 0.00 C ATOM 1372 C TYR A 103 -34.467 -5.474 -0.129 1.00 0.00 C ATOM 1373 O TYR A 103 -34.720 -4.295 0.117 1.00 0.00 O ATOM 1374 CB TYR A 103 -33.473 -6.763 -2.040 1.00 0.00 C ATOM 1375 CG TYR A 103 -33.760 -7.761 -3.139 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -34.036 -9.092 -2.844 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -33.759 -7.372 -4.474 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -34.296 -10.005 -3.849 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -34.024 -8.280 -5.482 1.00 0.00 C ATOM 1380 CZ TYR A 103 -34.292 -9.594 -5.165 1.00 0.00 C ATOM 1381 OH TYR A 103 -34.553 -10.501 -6.166 1.00 0.00 O ATOM 0 H TYR A 103 -34.391 -4.713 -3.085 1.00 0.00 H new ATOM 0 HA TYR A 103 -35.534 -6.781 -1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -32.772 -6.016 -2.413 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -32.982 -7.276 -1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -34.047 -9.417 -1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -33.548 -6.344 -4.727 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -34.502 -11.037 -3.604 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -34.021 -7.961 -6.514 1.00 0.00 H new ATOM 0 HH TYR A 103 -34.513 -10.050 -7.035 1.00 0.00 H new ATOM 1391 N SER A 104 -33.974 -6.308 0.776 1.00 0.00 N ATOM 1392 CA SER A 104 -33.691 -5.877 2.135 1.00 0.00 C ATOM 1393 C SER A 104 -32.193 -5.863 2.403 1.00 0.00 C ATOM 1394 O SER A 104 -31.542 -6.907 2.426 1.00 0.00 O ATOM 1395 CB SER A 104 -34.387 -6.790 3.143 1.00 0.00 C ATOM 1396 OG SER A 104 -35.262 -6.055 3.980 1.00 0.00 O ATOM 0 H SER A 104 -33.762 -7.289 0.592 1.00 0.00 H new ATOM 0 HA SER A 104 -34.074 -4.863 2.249 1.00 0.00 H new ATOM 0 HB2 SER A 104 -34.948 -7.560 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 104 -33.640 -7.300 3.752 1.00 0.00 H new ATOM 0 HG SER A 104 -35.696 -6.663 4.614 1.00 0.00 H new ATOM 1402 N LEU A 105 -31.663 -4.669 2.611 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.245 -4.487 2.901 1.00 0.00 C ATOM 1404 C LEU A 105 -29.802 -5.410 4.033 1.00 0.00 C ATOM 1405 O LEU A 105 -30.211 -5.241 5.182 1.00 0.00 O ATOM 1406 CB LEU A 105 -29.975 -3.027 3.279 1.00 0.00 C ATOM 1407 CG LEU A 105 -29.051 -2.245 2.335 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.285 -2.623 0.880 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.594 -2.453 2.714 1.00 0.00 C ATOM 0 H LEU A 105 -32.198 -3.801 2.584 1.00 0.00 H new ATOM 0 HA LEU A 105 -29.673 -4.740 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.930 -2.505 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.541 -3.006 4.279 1.00 0.00 H new ATOM 0 HG LEU A 105 -29.291 -1.187 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.613 -2.049 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.092 -3.687 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -30.318 -2.404 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.957 -1.890 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.430 -2.106 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.349 -3.513 2.648 1.00 0.00 H new ATOM 1421 N ILE A 106 -28.964 -6.383 3.699 1.00 0.00 N ATOM 1422 CA ILE A 106 -28.468 -7.340 4.674 1.00 0.00 C ATOM 1423 C ILE A 106 -27.087 -6.937 5.181 1.00 0.00 C ATOM 1424 O ILE A 106 -26.375 -6.187 4.523 1.00 0.00 O ATOM 1425 CB ILE A 106 -28.392 -8.746 4.052 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -29.772 -9.180 3.562 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -27.839 -9.744 5.052 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -30.814 -9.227 4.658 1.00 0.00 C ATOM 0 H ILE A 106 -28.613 -6.529 2.753 1.00 0.00 H new ATOM 0 HA ILE A 106 -29.162 -7.350 5.514 1.00 0.00 H new ATOM 0 HB ILE A 106 -27.715 -8.713 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -30.105 -8.493 2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -29.693 -10.166 3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -27.793 -10.732 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -26.838 -9.438 5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -28.488 -9.780 5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -31.769 -9.543 4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -30.503 -9.935 5.426 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -30.922 -8.237 5.100 1.00 0.00 H new ATOM 1440 N GLY A 107 -26.709 -7.440 6.350 1.00 0.00 N ATOM 1441 CA GLY A 107 -25.404 -7.122 6.902 1.00 0.00 C ATOM 1442 C GLY A 107 -25.149 -5.636 6.971 1.00 0.00 C ATOM 1443 O GLY A 107 -24.025 -5.180 6.770 1.00 0.00 O ATOM 0 H GLY A 107 -27.280 -8.060 6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -25.323 -7.547 7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -24.632 -7.591 6.293 1.00 0.00 H new ATOM 1447 N ASN A 108 -26.217 -4.907 7.233 1.00 0.00 N ATOM 1448 CA ASN A 108 -26.206 -3.446 7.359 1.00 0.00 C ATOM 1449 C ASN A 108 -25.571 -2.749 6.158 1.00 0.00 C ATOM 1450 O ASN A 108 -24.538 -3.165 5.638 1.00 0.00 O ATOM 1451 CB ASN A 108 -25.521 -3.015 8.654 1.00 0.00 C ATOM 1452 CG ASN A 108 -24.058 -3.404 8.715 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -23.182 -2.638 8.314 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -23.788 -4.602 9.218 1.00 0.00 N ATOM 0 H ASN A 108 -27.142 -5.315 7.369 1.00 0.00 H new ATOM 0 HA ASN A 108 -27.249 -3.132 7.389 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -25.607 -1.934 8.760 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -26.044 -3.461 9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -22.822 -4.921 9.284 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -24.547 -5.204 9.538 1.00 0.00 H new ATOM 1461 N SER A 109 -26.202 -1.660 5.743 1.00 0.00 N ATOM 1462 CA SER A 109 -25.740 -0.882 4.605 1.00 0.00 C ATOM 1463 C SER A 109 -24.405 -0.206 4.890 1.00 0.00 C ATOM 1464 O SER A 109 -23.654 0.120 3.970 1.00 0.00 O ATOM 1465 CB SER A 109 -26.788 0.167 4.242 1.00 0.00 C ATOM 1466 OG SER A 109 -28.061 -0.183 4.755 1.00 0.00 O ATOM 0 H SER A 109 -27.045 -1.293 6.184 1.00 0.00 H new ATOM 0 HA SER A 109 -25.594 -1.564 3.767 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.488 1.137 4.638 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.845 0.268 3.158 1.00 0.00 H new ATOM 0 HG SER A 109 -28.713 0.506 4.510 1.00 0.00 H new ATOM 1472 N GLY A 110 -24.119 0.005 6.165 1.00 0.00 N ATOM 1473 CA GLY A 110 -22.878 0.651 6.549 1.00 0.00 C ATOM 1474 C GLY A 110 -21.652 -0.106 6.073 1.00 0.00 C ATOM 1475 O GLY A 110 -21.498 -1.295 6.355 1.00 0.00 O ATOM 0 H GLY A 110 -24.723 -0.259 6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.857 1.661 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.843 0.745 7.634 1.00 0.00 H new ATOM 1479 N VAL A 111 -20.779 0.588 5.348 1.00 0.00 N ATOM 1480 CA VAL A 111 -19.550 -0.013 4.834 1.00 0.00 C ATOM 1481 C VAL A 111 -18.348 0.853 5.187 1.00 0.00 C ATOM 1482 O VAL A 111 -18.296 2.027 4.825 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.597 -0.206 3.307 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.622 -1.291 2.873 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -21.008 -0.531 2.839 1.00 0.00 C ATOM 0 H VAL A 111 -20.900 1.571 5.102 1.00 0.00 H new ATOM 0 HA VAL A 111 -19.456 -0.993 5.302 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.297 0.732 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.670 -1.412 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.610 -1.007 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.886 -2.232 3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -21.011 -0.662 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.347 -1.450 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.678 0.286 3.108 1.00 0.00 H new ATOM 1495 N LEU A 112 -17.389 0.278 5.905 1.00 0.00 N ATOM 1496 CA LEU A 112 -16.205 1.021 6.322 1.00 0.00 C ATOM 1497 C LEU A 112 -15.117 0.982 5.257 1.00 0.00 C ATOM 1498 O LEU A 112 -14.651 -0.090 4.870 1.00 0.00 O ATOM 1499 CB LEU A 112 -15.654 0.457 7.637 1.00 0.00 C ATOM 1500 CG LEU A 112 -14.261 0.967 8.031 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -13.718 0.181 9.215 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -14.309 2.453 8.350 1.00 0.00 C ATOM 0 H LEU A 112 -17.408 -0.695 6.209 1.00 0.00 H new ATOM 0 HA LEU A 112 -16.506 2.058 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.352 0.698 8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.618 -0.630 7.562 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.588 0.819 7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.730 0.557 9.479 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -14.389 0.295 10.066 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -13.645 -0.874 8.949 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -13.313 2.798 8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.652 3.002 7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.996 2.625 9.178 1.00 0.00 H new ATOM 1514 N CYS A 113 -14.683 2.159 4.822 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.598 2.260 3.863 1.00 0.00 C ATOM 1516 C CYS A 113 -12.269 2.315 4.601 1.00 0.00 C ATOM 1517 O CYS A 113 -11.919 3.341 5.189 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.758 3.508 2.998 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.325 3.867 1.931 1.00 0.00 S ATOM 0 H CYS A 113 -15.068 3.055 5.120 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.622 1.384 3.215 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.643 3.391 2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.937 4.365 3.647 1.00 0.00 H new ATOM 1524 N SER A 114 -11.552 1.201 4.602 1.00 0.00 N ATOM 1525 CA SER A 114 -10.275 1.122 5.297 1.00 0.00 C ATOM 1526 C SER A 114 -9.272 0.284 4.516 1.00 0.00 C ATOM 1527 O SER A 114 -9.646 -0.531 3.672 1.00 0.00 O ATOM 1528 CB SER A 114 -10.469 0.530 6.695 1.00 0.00 C ATOM 1529 OG SER A 114 -9.640 1.179 7.643 1.00 0.00 O ATOM 0 H SER A 114 -11.832 0.341 4.131 1.00 0.00 H new ATOM 0 HA SER A 114 -9.880 2.134 5.385 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.513 0.628 6.993 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.241 -0.536 6.677 1.00 0.00 H new ATOM 0 HG SER A 114 -9.784 0.784 8.528 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.994 0.494 4.806 1.00 0.00 N ATOM 1536 CA GLY A 115 -6.942 -0.247 4.131 1.00 0.00 C ATOM 1537 C GLY A 115 -7.128 -0.289 2.627 1.00 0.00 C ATOM 1538 O GLY A 115 -6.745 -1.259 1.974 1.00 0.00 O ATOM 0 H GLY A 115 -7.665 1.166 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.978 0.207 4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.915 -1.266 4.518 1.00 0.00 H new ATOM 1542 N GLY A 116 -7.719 0.766 2.075 1.00 0.00 N ATOM 1543 CA GLY A 116 -7.956 0.818 0.646 1.00 0.00 C ATOM 1544 C GLY A 116 -9.028 -0.156 0.196 1.00 0.00 C ATOM 1545 O GLY A 116 -9.195 -0.395 -1.000 1.00 0.00 O ATOM 0 H GLY A 116 -8.038 1.585 2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.250 1.830 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.027 0.599 0.119 1.00 0.00 H new ATOM 1549 N GLU A 117 -9.759 -0.720 1.153 1.00 0.00 N ATOM 1550 CA GLU A 117 -10.823 -1.662 0.845 1.00 0.00 C ATOM 1551 C GLU A 117 -12.061 -1.365 1.678 1.00 0.00 C ATOM 1552 O GLU A 117 -12.044 -0.498 2.551 1.00 0.00 O ATOM 1553 CB GLU A 117 -10.358 -3.096 1.099 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.019 -3.378 2.553 1.00 0.00 C ATOM 1555 CD GLU A 117 -9.368 -4.734 2.747 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -9.928 -5.558 3.501 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -8.300 -4.972 2.145 1.00 0.00 O ATOM 0 H GLU A 117 -9.631 -0.539 2.149 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.076 -1.554 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.139 -3.785 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.481 -3.299 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.350 -2.601 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.929 -3.327 3.151 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.131 -2.096 1.405 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.381 -1.913 2.120 1.00 0.00 C ATOM 1566 C TRP A 118 -14.702 -3.137 2.966 1.00 0.00 C ATOM 1567 O TRP A 118 -14.661 -4.268 2.481 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.505 -1.645 1.127 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.345 -0.347 0.397 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -14.659 -0.139 -0.765 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -15.868 0.926 0.788 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -14.732 1.184 -1.124 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.468 1.858 -0.187 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.639 1.369 1.866 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.813 3.203 -0.117 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.981 2.706 1.935 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.570 3.610 0.946 1.00 0.00 C ATOM 0 H TRP A 118 -13.157 -2.824 0.691 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.282 -1.057 2.788 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -15.545 -2.460 0.404 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.457 -1.642 1.657 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -14.136 -0.903 -1.320 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -14.307 1.598 -1.954 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.962 0.679 2.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.494 3.902 -0.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.575 3.060 2.765 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.857 4.648 1.025 1.00 0.00 H new ATOM 1588 N SER A 119 -15.006 -2.907 4.238 1.00 0.00 N ATOM 1589 CA SER A 119 -15.307 -3.996 5.155 1.00 0.00 C ATOM 1590 C SER A 119 -16.770 -3.978 5.580 1.00 0.00 C ATOM 1591 O SER A 119 -17.376 -2.917 5.727 1.00 0.00 O ATOM 1592 CB SER A 119 -14.409 -3.911 6.390 1.00 0.00 C ATOM 1593 OG SER A 119 -13.707 -2.680 6.426 1.00 0.00 O ATOM 0 H SER A 119 -15.050 -1.978 4.656 1.00 0.00 H new ATOM 0 HA SER A 119 -15.116 -4.933 4.631 1.00 0.00 H new ATOM 0 HB2 SER A 119 -15.014 -4.015 7.291 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.699 -4.738 6.385 1.00 0.00 H new ATOM 0 HG SER A 119 -13.141 -2.649 7.226 1.00 0.00 H new ATOM 1599 N ASP A 120 -17.325 -5.166 5.782 1.00 0.00 N ATOM 1600 CA ASP A 120 -18.708 -5.309 6.219 1.00 0.00 C ATOM 1601 C ASP A 120 -19.704 -4.906 5.132 1.00 0.00 C ATOM 1602 O ASP A 120 -20.693 -4.230 5.416 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.947 -4.468 7.472 1.00 0.00 C ATOM 1604 CG ASP A 120 -19.657 -5.244 8.564 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -19.079 -5.389 9.661 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -20.792 -5.708 8.322 1.00 0.00 O ATOM 0 H ASP A 120 -16.835 -6.050 5.649 1.00 0.00 H new ATOM 0 HA ASP A 120 -18.871 -6.364 6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -17.991 -4.106 7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -19.539 -3.591 7.210 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.487 -5.341 3.877 1.00 0.00 N ATOM 1612 CA PRO A 121 -20.410 -5.045 2.778 1.00 0.00 C ATOM 1613 C PRO A 121 -21.724 -5.802 2.940 1.00 0.00 C ATOM 1614 O PRO A 121 -21.738 -6.936 3.419 1.00 0.00 O ATOM 1615 CB PRO A 121 -19.660 -5.524 1.536 1.00 0.00 C ATOM 1616 CG PRO A 121 -18.733 -6.578 2.038 1.00 0.00 C ATOM 1617 CD PRO A 121 -18.352 -6.171 3.438 1.00 0.00 C ATOM 0 HA PRO A 121 -20.680 -3.990 2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -20.346 -5.923 0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.113 -4.708 1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.216 -7.555 2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -17.851 -6.656 1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.215 -7.038 4.085 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.417 -5.612 3.453 1.00 0.00 H new ATOM 1625 N PRO A 122 -22.852 -5.184 2.560 1.00 0.00 N ATOM 1626 CA PRO A 122 -24.165 -5.790 2.713 1.00 0.00 C ATOM 1627 C PRO A 122 -24.611 -6.594 1.505 1.00 0.00 C ATOM 1628 O PRO A 122 -23.858 -6.798 0.554 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.075 -4.581 2.888 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.395 -3.460 2.170 1.00 0.00 C ATOM 1631 CD PRO A 122 -22.945 -3.825 2.006 1.00 0.00 C ATOM 0 HA PRO A 122 -24.177 -6.504 3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.064 -4.771 2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.214 -4.344 3.943 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -24.858 -3.294 1.198 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.493 -2.532 2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -22.644 -3.800 0.959 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.296 -3.131 2.541 1.00 0.00 H new ATOM 1639 N THR A 123 -25.857 -7.036 1.565 1.00 0.00 N ATOM 1640 CA THR A 123 -26.468 -7.800 0.488 1.00 0.00 C ATOM 1641 C THR A 123 -27.865 -7.266 0.206 1.00 0.00 C ATOM 1642 O THR A 123 -28.184 -6.131 0.559 1.00 0.00 O ATOM 1643 CB THR A 123 -26.535 -9.284 0.859 1.00 0.00 C ATOM 1644 OG1 THR A 123 -25.717 -9.555 1.983 1.00 0.00 O ATOM 1645 CG2 THR A 123 -26.101 -10.204 -0.261 1.00 0.00 C ATOM 0 H THR A 123 -26.474 -6.875 2.361 1.00 0.00 H new ATOM 0 HA THR A 123 -25.858 -7.695 -0.409 1.00 0.00 H new ATOM 0 HB THR A 123 -27.585 -9.480 1.077 1.00 0.00 H new ATOM 0 HG1 THR A 123 -25.774 -10.507 2.207 1.00 0.00 H new ATOM 0 HG21 THR A 123 -26.173 -11.240 0.070 1.00 0.00 H new ATOM 0 HG22 THR A 123 -26.747 -10.054 -1.126 1.00 0.00 H new ATOM 0 HG23 THR A 123 -25.070 -9.982 -0.535 1.00 0.00 H new ATOM 1653 N CYS A 124 -28.699 -8.083 -0.418 1.00 0.00 N ATOM 1654 CA CYS A 124 -30.060 -7.674 -0.721 1.00 0.00 C ATOM 1655 C CYS A 124 -30.976 -8.881 -0.848 1.00 0.00 C ATOM 1656 O CYS A 124 -31.153 -9.430 -1.936 1.00 0.00 O ATOM 1657 CB CYS A 124 -30.093 -6.849 -2.009 1.00 0.00 C ATOM 1658 SG CYS A 124 -29.732 -5.080 -1.764 1.00 0.00 S ATOM 0 H CYS A 124 -28.459 -9.027 -0.722 1.00 0.00 H new ATOM 0 HA CYS A 124 -30.419 -7.058 0.103 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -29.370 -7.263 -2.712 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -31.077 -6.949 -2.467 1.00 0.00 H new ATOM 1663 N GLN A 125 -31.551 -9.294 0.274 1.00 0.00 N ATOM 1664 CA GLN A 125 -32.451 -10.434 0.294 1.00 0.00 C ATOM 1665 C GLN A 125 -33.872 -9.993 0.612 1.00 0.00 C ATOM 1666 O GLN A 125 -34.096 -8.906 1.144 1.00 0.00 O ATOM 1667 CB GLN A 125 -31.982 -11.463 1.322 1.00 0.00 C ATOM 1668 CG GLN A 125 -31.085 -12.540 0.735 1.00 0.00 C ATOM 1669 CD GLN A 125 -30.310 -13.297 1.796 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -30.853 -14.168 2.475 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -29.031 -12.969 1.940 1.00 0.00 N ATOM 0 H GLN A 125 -31.408 -8.854 1.183 1.00 0.00 H new ATOM 0 HA GLN A 125 -32.442 -10.891 -0.695 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -31.446 -10.949 2.120 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -32.853 -11.935 1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -31.693 -13.242 0.164 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -30.385 -12.083 0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -28.622 -12.240 1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -28.457 -13.446 2.636 1.00 0.00 H new ATOM 1680 N ILE A 126 -34.826 -10.847 0.280 1.00 0.00 N ATOM 1681 CA ILE A 126 -36.233 -10.558 0.516 1.00 0.00 C ATOM 1682 C ILE A 126 -36.673 -11.039 1.893 1.00 0.00 C ATOM 1683 O ILE A 126 -37.093 -12.183 2.058 1.00 0.00 O ATOM 1684 CB ILE A 126 -37.119 -11.217 -0.554 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -36.680 -10.766 -1.944 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -38.584 -10.888 -0.314 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -37.077 -9.344 -2.279 1.00 0.00 C ATOM 0 H ILE A 126 -34.651 -11.752 -0.157 1.00 0.00 H new ATOM 0 HA ILE A 126 -36.350 -9.476 0.463 1.00 0.00 H new ATOM 0 HB ILE A 126 -37.004 -12.299 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -35.597 -10.858 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -37.110 -11.438 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -39.194 -11.364 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -38.884 -11.256 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -38.726 -9.808 -0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -36.730 -9.096 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -38.162 -9.250 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -36.625 -8.661 -1.560 1.00 0.00 H new TER 1699 ILE A 126