USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 640 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 69 GLN : amide:sc= -0.651 K(o=-2.8,f=-5.9!) USER MOD Set 1.2: A 72 ASN : amide:sc= -2.17 K(o=-2.8,f=-7.1!) USER MOD Set 2.1: A 60 CYS SG : rot -169:sc= 0.667 USER MOD Set 2.2: A 63 CYS SG : rot -126:sc= 0.529 USER MOD Set 2.3: A 76 HIS : no HE2:sc= -5.45! C(o=-11!,f=-15!) USER MOD Set 2.4: A 80 HIS : no HE2:sc= -7.11! C(o=-11!,f=-14!) USER MOD Set 3.1: A 32 CYS SG : rot 142:sc= 0.264! USER MOD Set 3.2: A 35 CYS SG : rot -33:sc= -0.25 USER MOD Set 3.3: A 48 HIS : no HE2:sc= -3.98 K(o=-5.6,f=-7.4!) USER MOD Set 3.4: A 52 HIS : no HE2:sc= -1.59 K(o=-5.6,f=-6.8) USER MOD Set 4.1: A 15 SER OG : rot 180:sc= -0.427 USER MOD Set 4.2: A 16 THR OG1 : rot 180:sc=0.000589 USER MOD Set 5.1: A 4 CYS SG : rot -172:sc= -2.28! USER MOD Set 5.2: A 7 CYS SG : rot 59:sc= 0.853 USER MOD Set 5.3: A 20 HIS : no HD1:sc= -5.07! C(o=-6.8!,f=-9.3!) USER MOD Set 5.4: A 24 HIS : no HE2:sc= -0.333 K(o=-6.8,f=-9.3) USER MOD Single : A 5 LYS NZ :NH3+ 156:sc= -0.124 (180deg=-0.826) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 57:sc= 1.17 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -57:sc= 0.15 USER MOD Single : A 18 SER OG : rot 64:sc= 0.288 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= -0.0621 (180deg=-0.691) USER MOD Single : A 40 HIS : no HD1:sc= -0.0454! C(o=-0.045!,f=-7.8!) USER MOD Single : A 41 GLN : amide:sc= -0.278 K(o=-0.28,f=-1.3!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -124:sc= -0.0284 (180deg=-0.25) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -9:sc= -2.13! USER MOD Single : A 53 THR OG1 : rot -12:sc= -2.81! USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= -0.118 (180deg=-1.04) USER MOD Single : A 58 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.021) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -5.19! C(o=-5.2!,f=-4.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -1.74! USER MOD Single : A 70 SER OG : rot 180:sc= -0.189 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= -0.129 (180deg=-0.776) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N PHE A 2 -11.670 -6.384 37.363 1.00 1.78 N ATOM 15 CA PHE A 2 -12.675 -5.280 37.226 1.00 1.47 C ATOM 16 C PHE A 2 -13.405 -5.448 35.883 1.00 1.49 C ATOM 17 O PHE A 2 -12.787 -5.544 34.841 1.00 1.56 O ATOM 18 CB PHE A 2 -11.963 -3.919 37.283 1.00 1.27 C ATOM 19 CG PHE A 2 -10.827 -3.973 38.284 1.00 1.50 C ATOM 20 CD1 PHE A 2 -9.629 -4.607 37.942 1.00 1.73 C ATOM 21 CD2 PHE A 2 -10.970 -3.391 39.551 1.00 1.56 C ATOM 22 CE1 PHE A 2 -8.578 -4.663 38.857 1.00 2.00 C ATOM 23 CE2 PHE A 2 -9.913 -3.446 40.472 1.00 1.80 C ATOM 24 CZ PHE A 2 -8.716 -4.083 40.124 1.00 2.01 C ATOM 0 HA PHE A 2 -13.397 -5.324 38.042 1.00 1.47 H new ATOM 0 HB2 PHE A 2 -11.578 -3.658 36.297 1.00 1.27 H new ATOM 0 HB3 PHE A 2 -12.671 -3.140 37.565 1.00 1.27 H new ATOM 0 HD1 PHE A 2 -9.517 -5.055 36.966 1.00 1.73 H new ATOM 0 HD2 PHE A 2 -11.894 -2.900 39.818 1.00 1.56 H new ATOM 0 HE1 PHE A 2 -7.655 -5.155 38.588 1.00 2.00 H new ATOM 0 HE2 PHE A 2 -10.023 -2.997 41.448 1.00 1.80 H new ATOM 0 HZ PHE A 2 -7.901 -4.127 40.831 1.00 2.01 H new ATOM 34 N ASP A 3 -14.725 -5.515 35.910 1.00 1.51 N ATOM 35 CA ASP A 3 -15.497 -5.716 34.639 1.00 1.60 C ATOM 36 C ASP A 3 -16.232 -4.449 34.199 1.00 1.37 C ATOM 37 O ASP A 3 -16.876 -3.765 34.971 1.00 1.26 O ATOM 38 CB ASP A 3 -16.498 -6.855 34.817 1.00 1.93 C ATOM 39 CG ASP A 3 -15.747 -8.149 35.140 1.00 1.94 C ATOM 40 OD1 ASP A 3 -14.532 -8.100 35.228 1.00 2.22 O ATOM 41 OD2 ASP A 3 -16.402 -9.168 35.291 1.00 2.25 O ATOM 0 H ASP A 3 -15.293 -5.439 36.754 1.00 1.51 H new ATOM 0 HA ASP A 3 -14.779 -5.966 33.858 1.00 1.60 H new ATOM 0 HB2 ASP A 3 -17.196 -6.617 35.619 1.00 1.93 H new ATOM 0 HB3 ASP A 3 -17.087 -6.981 33.909 1.00 1.93 H new ATOM 46 N CYS A 4 -16.134 -4.179 32.934 1.00 1.36 N ATOM 47 CA CYS A 4 -16.799 -2.976 32.335 1.00 1.23 C ATOM 48 C CYS A 4 -18.311 -3.073 32.545 1.00 1.50 C ATOM 49 O CYS A 4 -18.949 -4.012 32.113 1.00 1.74 O ATOM 50 CB CYS A 4 -16.523 -2.902 30.826 1.00 1.14 C ATOM 51 SG CYS A 4 -17.677 -1.767 30.010 1.00 1.21 S ATOM 0 H CYS A 4 -15.612 -4.748 32.268 1.00 1.36 H new ATOM 0 HA CYS A 4 -16.401 -2.085 32.821 1.00 1.23 H new ATOM 0 HB2 CYS A 4 -15.499 -2.570 30.656 1.00 1.14 H new ATOM 0 HB3 CYS A 4 -16.613 -3.896 30.387 1.00 1.14 H new ATOM 0 HG CYS A 4 -17.525 -1.846 28.721 1.00 1.21 H new ATOM 56 N LYS A 5 -18.889 -2.111 33.202 1.00 1.54 N ATOM 57 CA LYS A 5 -20.367 -2.147 33.440 1.00 1.87 C ATOM 58 C LYS A 5 -21.066 -1.337 32.339 1.00 2.01 C ATOM 59 O LYS A 5 -22.119 -0.764 32.534 1.00 2.31 O ATOM 60 CB LYS A 5 -20.670 -1.536 34.817 1.00 1.92 C ATOM 61 CG LYS A 5 -19.588 -1.954 35.830 1.00 1.81 C ATOM 62 CD LYS A 5 -19.612 -1.001 37.032 1.00 1.92 C ATOM 63 CE LYS A 5 -18.435 -1.308 37.966 1.00 2.11 C ATOM 64 NZ LYS A 5 -17.151 -1.122 37.232 1.00 2.44 N ATOM 0 H LYS A 5 -18.407 -1.298 33.587 1.00 1.54 H new ATOM 0 HA LYS A 5 -20.729 -3.175 33.418 1.00 1.87 H new ATOM 0 HB2 LYS A 5 -20.708 -0.449 34.741 1.00 1.92 H new ATOM 0 HB3 LYS A 5 -21.650 -1.866 35.162 1.00 1.92 H new ATOM 0 HG2 LYS A 5 -19.762 -2.978 36.161 1.00 1.81 H new ATOM 0 HG3 LYS A 5 -18.606 -1.934 35.357 1.00 1.81 H new ATOM 0 HD2 LYS A 5 -19.555 0.032 36.689 1.00 1.92 H new ATOM 0 HD3 LYS A 5 -20.553 -1.107 37.572 1.00 1.92 H new ATOM 0 HE2 LYS A 5 -18.467 -0.651 38.835 1.00 2.11 H new ATOM 0 HE3 LYS A 5 -18.509 -2.331 38.336 1.00 2.11 H new ATOM 0 HZ1 LYS A 5 -16.388 -0.927 37.911 1.00 2.44 H new ATOM 0 HZ2 LYS A 5 -16.927 -1.987 36.699 1.00 2.44 H new ATOM 0 HZ3 LYS A 5 -17.241 -0.323 36.573 1.00 2.44 H new ATOM 78 N ILE A 6 -20.451 -1.283 31.184 1.00 1.83 N ATOM 79 CA ILE A 6 -21.001 -0.511 30.025 1.00 1.99 C ATOM 80 C ILE A 6 -21.019 -1.448 28.813 1.00 2.08 C ATOM 81 O ILE A 6 -22.055 -1.771 28.264 1.00 2.36 O ATOM 82 CB ILE A 6 -20.059 0.680 29.753 1.00 1.81 C ATOM 83 CG1 ILE A 6 -19.738 1.413 31.083 1.00 1.82 C ATOM 84 CG2 ILE A 6 -20.699 1.651 28.745 1.00 2.05 C ATOM 85 CD1 ILE A 6 -20.638 2.642 31.266 1.00 1.77 C ATOM 0 H ILE A 6 -19.567 -1.754 30.991 1.00 1.83 H new ATOM 0 HA ILE A 6 -22.006 -0.141 30.226 1.00 1.99 H new ATOM 0 HB ILE A 6 -19.130 0.305 29.324 1.00 1.81 H new ATOM 0 HG12 ILE A 6 -19.875 0.730 31.921 1.00 1.82 H new ATOM 0 HG13 ILE A 6 -18.692 1.720 31.090 1.00 1.82 H new ATOM 0 HG21 ILE A 6 -20.022 2.486 28.564 1.00 2.05 H new ATOM 0 HG22 ILE A 6 -20.890 1.129 27.808 1.00 2.05 H new ATOM 0 HG23 ILE A 6 -21.639 2.027 29.149 1.00 2.05 H new ATOM 0 HD11 ILE A 6 -20.392 3.137 32.206 1.00 1.77 H new ATOM 0 HD12 ILE A 6 -20.481 3.335 30.439 1.00 1.77 H new ATOM 0 HD13 ILE A 6 -21.682 2.329 31.283 1.00 1.77 H new ATOM 97 N CYS A 7 -19.849 -1.874 28.403 1.00 1.88 N ATOM 98 CA CYS A 7 -19.724 -2.804 27.243 1.00 2.02 C ATOM 99 C CYS A 7 -18.894 -4.060 27.653 1.00 2.21 C ATOM 100 O CYS A 7 -18.074 -4.600 26.932 1.00 2.54 O ATOM 101 CB CYS A 7 -19.108 -2.077 26.067 1.00 1.78 C ATOM 102 SG CYS A 7 -17.338 -2.255 26.197 1.00 1.53 S ATOM 0 H CYS A 7 -18.962 -1.610 28.832 1.00 1.88 H new ATOM 0 HA CYS A 7 -20.712 -3.149 26.939 1.00 2.02 H new ATOM 0 HB2 CYS A 7 -19.468 -2.495 25.127 1.00 1.78 H new ATOM 0 HB3 CYS A 7 -19.390 -1.024 26.077 1.00 1.78 H new ATOM 0 HG CYS A 7 -17.026 -3.517 26.181 1.00 1.53 H new ATOM 107 N GLY A 8 -19.263 -4.547 28.784 1.00 2.06 N ATOM 108 CA GLY A 8 -18.796 -5.830 29.415 1.00 2.29 C ATOM 109 C GLY A 8 -17.450 -6.512 28.987 1.00 2.20 C ATOM 110 O GLY A 8 -17.435 -7.687 28.647 1.00 2.38 O ATOM 0 H GLY A 8 -19.944 -4.063 29.369 1.00 2.06 H new ATOM 0 HA2 GLY A 8 -18.733 -5.650 30.488 1.00 2.29 H new ATOM 0 HA3 GLY A 8 -19.586 -6.565 29.261 1.00 2.29 H new ATOM 114 N LYS A 9 -16.330 -5.857 29.144 1.00 1.99 N ATOM 115 CA LYS A 9 -14.991 -6.537 28.935 1.00 1.98 C ATOM 116 C LYS A 9 -14.297 -6.538 30.331 1.00 1.93 C ATOM 117 O LYS A 9 -14.383 -5.587 31.089 1.00 1.81 O ATOM 118 CB LYS A 9 -14.138 -5.888 27.824 1.00 1.71 C ATOM 119 CG LYS A 9 -12.692 -6.436 27.884 1.00 1.85 C ATOM 120 CD LYS A 9 -11.822 -5.899 26.718 1.00 1.67 C ATOM 121 CE LYS A 9 -12.208 -6.549 25.371 1.00 1.97 C ATOM 122 NZ LYS A 9 -11.259 -7.660 25.042 1.00 2.27 N ATOM 0 H LYS A 9 -16.272 -4.874 29.410 1.00 1.99 H new ATOM 0 HA LYS A 9 -15.125 -7.554 28.568 1.00 1.98 H new ATOM 0 HB2 LYS A 9 -14.576 -6.098 26.848 1.00 1.71 H new ATOM 0 HB3 LYS A 9 -14.131 -4.805 27.944 1.00 1.71 H new ATOM 0 HG2 LYS A 9 -12.237 -6.157 28.835 1.00 1.85 H new ATOM 0 HG3 LYS A 9 -12.715 -7.525 27.849 1.00 1.85 H new ATOM 0 HD2 LYS A 9 -11.937 -4.817 26.646 1.00 1.67 H new ATOM 0 HD3 LYS A 9 -10.771 -6.095 26.928 1.00 1.67 H new ATOM 0 HE2 LYS A 9 -13.226 -6.934 25.423 1.00 1.97 H new ATOM 0 HE3 LYS A 9 -12.191 -5.800 24.579 1.00 1.97 H new ATOM 0 HZ1 LYS A 9 -11.529 -8.089 24.134 1.00 2.27 H new ATOM 0 HZ2 LYS A 9 -10.293 -7.282 24.973 1.00 2.27 H new ATOM 0 HZ3 LYS A 9 -11.296 -8.381 25.791 1.00 2.27 H new ATOM 136 N SER A 10 -13.639 -7.623 30.663 1.00 2.07 N ATOM 137 CA SER A 10 -12.988 -7.729 32.035 1.00 2.09 C ATOM 138 C SER A 10 -11.522 -7.290 32.029 1.00 2.02 C ATOM 139 O SER A 10 -10.785 -7.484 31.077 1.00 2.08 O ATOM 140 CB SER A 10 -13.076 -9.147 32.613 0.50 2.46 C ATOM 141 OG SER A 10 -12.605 -9.139 33.964 1.00 2.56 O ATOM 0 H SER A 10 -13.518 -8.437 30.061 1.00 2.07 H new ATOM 0 HA SER A 10 -13.555 -7.048 32.669 1.00 2.09 H new ATOM 0 HB2 SER A 10 -14.106 -9.503 32.577 0.50 2.46 H new ATOM 0 HB3 SER A 10 -12.480 -9.834 32.012 0.50 2.46 H new ATOM 0 HG SER A 10 -13.126 -8.496 34.488 1.00 2.56 H new ATOM 147 N PHE A 11 -11.111 -6.680 33.120 1.00 1.93 N ATOM 148 CA PHE A 11 -9.704 -6.193 33.257 1.00 1.96 C ATOM 149 C PHE A 11 -9.088 -6.725 34.536 1.00 2.14 C ATOM 150 O PHE A 11 -9.658 -6.644 35.605 1.00 2.08 O ATOM 151 CB PHE A 11 -9.718 -4.671 33.272 1.00 1.64 C ATOM 152 CG PHE A 11 -10.421 -4.241 32.021 1.00 1.43 C ATOM 153 CD1 PHE A 11 -9.718 -4.218 30.820 1.00 1.36 C ATOM 154 CD2 PHE A 11 -11.787 -3.933 32.046 1.00 1.38 C ATOM 155 CE1 PHE A 11 -10.374 -3.880 29.637 1.00 1.26 C ATOM 156 CE2 PHE A 11 -12.445 -3.614 30.862 1.00 1.20 C ATOM 157 CZ PHE A 11 -11.739 -3.588 29.658 1.00 1.16 C ATOM 0 H PHE A 11 -11.703 -6.498 33.931 1.00 1.93 H new ATOM 0 HA PHE A 11 -9.105 -6.549 32.418 1.00 1.96 H new ATOM 0 HB2 PHE A 11 -10.234 -4.296 34.156 1.00 1.64 H new ATOM 0 HB3 PHE A 11 -8.703 -4.274 33.303 1.00 1.64 H new ATOM 0 HD1 PHE A 11 -8.666 -4.462 30.804 1.00 1.36 H new ATOM 0 HD2 PHE A 11 -12.328 -3.943 32.981 1.00 1.38 H new ATOM 0 HE1 PHE A 11 -9.827 -3.844 28.706 1.00 1.26 H new ATOM 0 HE2 PHE A 11 -13.501 -3.387 30.875 1.00 1.20 H new ATOM 0 HZ PHE A 11 -12.251 -3.341 28.739 1.00 1.16 H new ATOM 167 N LYS A 12 -7.917 -7.286 34.418 1.00 2.41 N ATOM 168 CA LYS A 12 -7.223 -7.838 35.609 1.00 2.62 C ATOM 169 C LYS A 12 -6.799 -6.688 36.511 1.00 2.57 C ATOM 170 O LYS A 12 -6.665 -6.842 37.707 1.00 2.71 O ATOM 171 CB LYS A 12 -5.951 -8.579 35.181 1.00 2.95 C ATOM 172 CG LYS A 12 -6.244 -9.530 34.017 1.00 2.94 C ATOM 173 CD LYS A 12 -7.422 -10.433 34.376 1.00 3.29 C ATOM 174 CE LYS A 12 -7.551 -11.532 33.324 1.00 3.21 C ATOM 175 NZ LYS A 12 -8.887 -12.176 33.446 1.00 2.81 N ATOM 0 H LYS A 12 -7.409 -7.385 33.539 1.00 2.41 H new ATOM 0 HA LYS A 12 -7.900 -8.518 36.125 1.00 2.62 H new ATOM 0 HB2 LYS A 12 -5.187 -7.860 34.886 1.00 2.95 H new ATOM 0 HB3 LYS A 12 -5.551 -9.141 36.025 1.00 2.95 H new ATOM 0 HG2 LYS A 12 -6.472 -8.959 33.117 1.00 2.94 H new ATOM 0 HG3 LYS A 12 -5.364 -10.134 33.797 1.00 2.94 H new ATOM 0 HD2 LYS A 12 -7.271 -10.873 35.362 1.00 3.29 H new ATOM 0 HD3 LYS A 12 -8.341 -9.850 34.424 1.00 3.29 H new ATOM 0 HE2 LYS A 12 -7.427 -11.112 32.326 1.00 3.21 H new ATOM 0 HE3 LYS A 12 -6.764 -12.274 33.458 1.00 3.21 H new ATOM 0 HZ1 LYS A 12 -8.978 -12.925 32.730 1.00 2.81 H new ATOM 0 HZ2 LYS A 12 -8.988 -12.589 34.395 1.00 2.81 H new ATOM 0 HZ3 LYS A 12 -9.630 -11.464 33.298 1.00 2.81 H new ATOM 189 N ARG A 13 -6.569 -5.541 35.929 1.00 2.41 N ATOM 190 CA ARG A 13 -6.127 -4.366 36.726 1.00 2.42 C ATOM 191 C ARG A 13 -7.120 -3.222 36.546 1.00 2.07 C ATOM 192 O ARG A 13 -7.619 -2.968 35.456 1.00 1.87 O ATOM 193 CB ARG A 13 -4.748 -3.895 36.243 1.00 2.62 C ATOM 194 CG ARG A 13 -3.632 -4.718 36.916 1.00 2.94 C ATOM 195 CD ARG A 13 -2.908 -3.857 37.959 1.00 3.18 C ATOM 196 NE ARG A 13 -3.912 -3.164 38.823 1.00 3.14 N ATOM 197 CZ ARG A 13 -3.843 -1.870 39.030 1.00 3.31 C ATOM 198 NH1 ARG A 13 -2.906 -1.152 38.467 1.00 3.55 N ATOM 199 NH2 ARG A 13 -4.721 -1.293 39.803 1.00 3.35 N ATOM 0 H ARG A 13 -6.670 -5.369 34.929 1.00 2.41 H new ATOM 0 HA ARG A 13 -6.073 -4.655 37.776 1.00 2.42 H new ATOM 0 HB2 ARG A 13 -4.681 -3.997 35.160 1.00 2.62 H new ATOM 0 HB3 ARG A 13 -4.617 -2.837 36.472 1.00 2.62 H new ATOM 0 HG2 ARG A 13 -4.056 -5.602 37.392 1.00 2.94 H new ATOM 0 HG3 ARG A 13 -2.924 -5.069 36.166 1.00 2.94 H new ATOM 0 HD2 ARG A 13 -2.256 -4.481 38.571 1.00 3.18 H new ATOM 0 HD3 ARG A 13 -2.273 -3.123 37.462 1.00 3.18 H new ATOM 0 HE ARG A 13 -4.660 -3.704 39.257 1.00 3.14 H new ATOM 0 HH11 ARG A 13 -2.218 -1.597 37.859 1.00 3.55 H new ATOM 0 HH12 ARG A 13 -2.863 -0.147 38.636 1.00 3.55 H new ATOM 0 HH21 ARG A 13 -5.456 -1.847 40.243 1.00 3.35 H new ATOM 0 HH22 ARG A 13 -4.673 -0.288 39.968 1.00 3.35 H new ATOM 213 N SER A 14 -7.408 -2.511 37.586 1.00 2.01 N ATOM 214 CA SER A 14 -8.354 -1.390 37.420 1.00 1.72 C ATOM 215 C SER A 14 -7.762 -0.417 36.405 1.00 1.75 C ATOM 216 O SER A 14 -8.473 0.245 35.686 1.00 1.56 O ATOM 217 CB SER A 14 -8.586 -0.678 38.754 1.00 1.70 C ATOM 218 OG SER A 14 -8.141 -1.511 39.814 1.00 1.42 O ATOM 0 H SER A 14 -7.039 -2.652 38.526 1.00 2.01 H new ATOM 0 HA SER A 14 -9.315 -1.767 37.070 1.00 1.72 H new ATOM 0 HB2 SER A 14 -8.049 0.270 38.771 1.00 1.70 H new ATOM 0 HB3 SER A 14 -9.644 -0.447 38.877 1.00 1.70 H new ATOM 0 HG SER A 14 -8.608 -2.371 39.772 1.00 1.42 H new ATOM 224 N SER A 15 -6.454 -0.295 36.368 1.00 2.04 N ATOM 225 CA SER A 15 -5.833 0.671 35.424 1.00 2.13 C ATOM 226 C SER A 15 -6.307 0.358 34.006 1.00 1.98 C ATOM 227 O SER A 15 -6.935 1.169 33.358 1.00 1.92 O ATOM 228 CB SER A 15 -4.309 0.564 35.497 1.00 2.51 C ATOM 229 OG SER A 15 -3.909 -0.707 35.003 1.00 2.71 O ATOM 0 H SER A 15 -5.801 -0.821 36.948 1.00 2.04 H new ATOM 0 HA SER A 15 -6.127 1.685 35.693 1.00 2.13 H new ATOM 0 HB2 SER A 15 -3.848 1.358 34.910 1.00 2.51 H new ATOM 0 HB3 SER A 15 -3.972 0.691 36.526 1.00 2.51 H new ATOM 0 HG SER A 15 -2.933 -0.782 35.045 1.00 2.71 H new ATOM 235 N THR A 16 -6.016 -0.820 33.521 1.00 1.97 N ATOM 236 CA THR A 16 -6.456 -1.180 32.151 1.00 1.85 C ATOM 237 C THR A 16 -7.961 -0.943 32.047 1.00 1.48 C ATOM 238 O THR A 16 -8.464 -0.547 31.007 1.00 1.33 O ATOM 239 CB THR A 16 -6.129 -2.644 31.870 1.00 2.03 C ATOM 240 OG1 THR A 16 -4.769 -2.900 32.194 1.00 2.37 O ATOM 241 CG2 THR A 16 -6.368 -2.944 30.404 1.00 2.02 C ATOM 0 H THR A 16 -5.494 -1.543 34.016 1.00 1.97 H new ATOM 0 HA THR A 16 -5.936 -0.565 31.416 1.00 1.85 H new ATOM 0 HB THR A 16 -6.770 -3.281 32.479 1.00 2.03 H new ATOM 0 HG1 THR A 16 -4.561 -3.841 32.015 1.00 2.37 H new ATOM 0 HG21 THR A 16 -6.134 -3.990 30.204 1.00 2.02 H new ATOM 0 HG22 THR A 16 -7.413 -2.752 30.159 1.00 2.02 H new ATOM 0 HG23 THR A 16 -5.729 -2.306 29.793 1.00 2.02 H new ATOM 249 N LEU A 17 -8.696 -1.121 33.118 1.00 1.37 N ATOM 250 CA LEU A 17 -10.156 -0.837 33.022 1.00 1.04 C ATOM 251 C LEU A 17 -10.328 0.672 32.939 1.00 0.93 C ATOM 252 O LEU A 17 -11.160 1.162 32.216 1.00 0.78 O ATOM 253 CB LEU A 17 -10.915 -1.369 34.245 1.00 1.02 C ATOM 254 CG LEU A 17 -12.283 -0.670 34.383 1.00 0.75 C ATOM 255 CD1 LEU A 17 -13.205 -1.050 33.220 1.00 0.71 C ATOM 256 CD2 LEU A 17 -12.936 -1.100 35.695 1.00 0.80 C ATOM 0 H LEU A 17 -8.359 -1.441 34.026 1.00 1.37 H new ATOM 0 HA LEU A 17 -10.562 -1.334 32.141 1.00 1.04 H new ATOM 0 HB2 LEU A 17 -11.059 -2.445 34.150 1.00 1.02 H new ATOM 0 HB3 LEU A 17 -10.324 -1.204 35.146 1.00 1.02 H new ATOM 0 HG LEU A 17 -12.127 0.409 34.372 1.00 0.75 H new ATOM 0 HD11 LEU A 17 -14.165 -0.546 33.337 1.00 0.71 H new ATOM 0 HD12 LEU A 17 -12.748 -0.746 32.279 1.00 0.71 H new ATOM 0 HD13 LEU A 17 -13.360 -2.129 33.216 1.00 0.71 H new ATOM 0 HD21 LEU A 17 -13.904 -0.609 35.798 1.00 0.80 H new ATOM 0 HD22 LEU A 17 -13.076 -2.181 35.695 1.00 0.80 H new ATOM 0 HD23 LEU A 17 -12.295 -0.817 36.530 1.00 0.80 H new ATOM 268 N SER A 18 -9.561 1.420 33.683 1.00 1.12 N ATOM 269 CA SER A 18 -9.704 2.895 33.634 1.00 1.22 C ATOM 270 C SER A 18 -9.608 3.341 32.182 1.00 1.33 C ATOM 271 O SER A 18 -10.453 4.051 31.691 1.00 1.31 O ATOM 272 CB SER A 18 -8.581 3.549 34.445 0.50 1.50 C ATOM 273 OG SER A 18 -8.783 3.285 35.826 1.00 1.48 O ATOM 0 H SER A 18 -8.844 1.071 34.320 1.00 1.12 H new ATOM 0 HA SER A 18 -10.665 3.191 34.055 1.00 1.22 H new ATOM 0 HB2 SER A 18 -7.614 3.161 34.127 0.50 1.50 H new ATOM 0 HB3 SER A 18 -8.567 4.624 34.267 0.50 1.50 H new ATOM 0 HG SER A 18 -8.720 2.320 35.987 1.00 1.48 H new ATOM 279 N THR A 19 -8.586 2.907 31.490 1.00 1.48 N ATOM 280 CA THR A 19 -8.426 3.285 30.056 1.00 1.59 C ATOM 281 C THR A 19 -9.634 2.802 29.285 1.00 1.30 C ATOM 282 O THR A 19 -10.126 3.454 28.385 1.00 1.30 O ATOM 283 CB THR A 19 -7.195 2.598 29.482 1.00 1.81 C ATOM 284 OG1 THR A 19 -6.084 2.825 30.333 1.00 2.12 O ATOM 285 CG2 THR A 19 -6.912 3.158 28.088 1.00 1.95 C ATOM 0 H THR A 19 -7.852 2.303 31.860 1.00 1.48 H new ATOM 0 HA THR A 19 -8.323 4.367 29.977 1.00 1.59 H new ATOM 0 HB THR A 19 -7.371 1.525 29.410 1.00 1.81 H new ATOM 0 HG1 THR A 19 -5.293 2.381 29.963 1.00 2.12 H new ATOM 0 HG21 THR A 19 -6.031 2.670 27.672 1.00 1.95 H new ATOM 0 HG22 THR A 19 -7.769 2.973 27.441 1.00 1.95 H new ATOM 0 HG23 THR A 19 -6.734 4.231 28.156 1.00 1.95 H new ATOM 293 N HIS A 20 -10.126 1.675 29.653 1.00 1.10 N ATOM 294 CA HIS A 20 -11.311 1.148 28.970 1.00 0.87 C ATOM 295 C HIS A 20 -12.506 2.054 29.344 1.00 0.76 C ATOM 296 O HIS A 20 -13.349 2.406 28.519 1.00 0.79 O ATOM 297 CB HIS A 20 -11.492 -0.306 29.414 1.00 0.86 C ATOM 298 CG HIS A 20 -12.735 -0.830 28.812 1.00 0.74 C ATOM 299 ND1 HIS A 20 -12.737 -1.675 27.695 1.00 0.83 N ATOM 300 CD2 HIS A 20 -14.031 -0.543 29.083 1.00 0.69 C ATOM 301 CE1 HIS A 20 -14.016 -1.840 27.332 1.00 0.86 C ATOM 302 NE2 HIS A 20 -14.801 -1.164 28.148 1.00 0.83 N ATOM 0 H HIS A 20 -9.756 1.091 30.403 1.00 1.10 H new ATOM 0 HA HIS A 20 -11.221 1.152 27.884 1.00 0.87 H new ATOM 0 HB2 HIS A 20 -10.638 -0.906 29.101 1.00 0.86 H new ATOM 0 HB3 HIS A 20 -11.543 -0.366 30.501 1.00 0.86 H new ATOM 0 HD2 HIS A 20 -14.390 0.070 29.897 1.00 0.69 H new ATOM 0 HE1 HIS A 20 -14.353 -2.437 26.497 1.00 0.86 H new ATOM 0 HE2 HIS A 20 -15.818 -1.115 28.088 1.00 0.83 H new ATOM 310 N LEU A 21 -12.569 2.501 30.568 1.00 0.77 N ATOM 311 CA LEU A 21 -13.681 3.407 30.928 1.00 0.89 C ATOM 312 C LEU A 21 -13.448 4.700 30.159 1.00 1.12 C ATOM 313 O LEU A 21 -14.359 5.320 29.643 1.00 1.28 O ATOM 314 CB LEU A 21 -13.691 3.669 32.437 1.00 0.98 C ATOM 315 CG LEU A 21 -14.089 2.382 33.164 1.00 0.81 C ATOM 316 CD1 LEU A 21 -13.997 2.596 34.677 1.00 0.85 C ATOM 317 CD2 LEU A 21 -15.525 1.991 32.787 1.00 0.99 C ATOM 0 H LEU A 21 -11.911 2.281 31.316 1.00 0.77 H new ATOM 0 HA LEU A 21 -14.646 2.969 30.674 1.00 0.89 H new ATOM 0 HB2 LEU A 21 -12.706 3.999 32.768 1.00 0.98 H new ATOM 0 HB3 LEU A 21 -14.392 4.468 32.676 1.00 0.98 H new ATOM 0 HG LEU A 21 -13.411 1.582 32.869 1.00 0.81 H new ATOM 0 HD11 LEU A 21 -14.281 1.678 35.192 1.00 0.85 H new ATOM 0 HD12 LEU A 21 -12.974 2.861 34.945 1.00 0.85 H new ATOM 0 HD13 LEU A 21 -14.670 3.401 34.972 1.00 0.85 H new ATOM 0 HD21 LEU A 21 -15.801 1.074 33.308 1.00 0.99 H new ATOM 0 HD22 LEU A 21 -16.207 2.791 33.074 1.00 0.99 H new ATOM 0 HD23 LEU A 21 -15.587 1.829 31.711 1.00 0.99 H new ATOM 329 N LEU A 22 -12.195 5.088 30.058 1.00 1.23 N ATOM 330 CA LEU A 22 -11.858 6.310 29.294 1.00 1.48 C ATOM 331 C LEU A 22 -12.426 6.101 27.900 1.00 1.34 C ATOM 332 O LEU A 22 -12.916 7.023 27.289 1.00 1.50 O ATOM 333 CB LEU A 22 -10.329 6.526 29.231 1.00 1.69 C ATOM 334 CG LEU A 22 -9.729 6.617 30.642 1.00 1.84 C ATOM 335 CD1 LEU A 22 -8.277 7.099 30.559 1.00 2.14 C ATOM 336 CD2 LEU A 22 -10.534 7.592 31.501 1.00 2.07 C ATOM 0 H LEU A 22 -11.400 4.604 30.475 1.00 1.23 H new ATOM 0 HA LEU A 22 -12.276 7.197 29.770 1.00 1.48 H new ATOM 0 HB2 LEU A 22 -9.864 5.704 28.686 1.00 1.69 H new ATOM 0 HB3 LEU A 22 -10.109 7.440 28.679 1.00 1.69 H new ATOM 0 HG LEU A 22 -9.763 5.627 31.097 1.00 1.84 H new ATOM 0 HD11 LEU A 22 -7.857 7.162 31.563 1.00 2.14 H new ATOM 0 HD12 LEU A 22 -7.694 6.396 29.964 1.00 2.14 H new ATOM 0 HD13 LEU A 22 -8.246 8.083 30.091 1.00 2.14 H new ATOM 0 HD21 LEU A 22 -10.096 7.645 32.498 1.00 2.07 H new ATOM 0 HD22 LEU A 22 -10.516 8.581 31.043 1.00 2.07 H new ATOM 0 HD23 LEU A 22 -11.565 7.246 31.575 1.00 2.07 H new ATOM 348 N ILE A 23 -12.406 4.887 27.395 1.00 1.07 N ATOM 349 CA ILE A 23 -12.991 4.658 26.053 1.00 0.94 C ATOM 350 C ILE A 23 -14.474 5.032 26.134 1.00 1.10 C ATOM 351 O ILE A 23 -15.049 5.501 25.170 1.00 1.18 O ATOM 352 CB ILE A 23 -12.849 3.182 25.636 1.00 0.72 C ATOM 353 CG1 ILE A 23 -11.380 2.838 25.353 1.00 0.72 C ATOM 354 CG2 ILE A 23 -13.666 2.926 24.373 1.00 0.75 C ATOM 355 CD1 ILE A 23 -11.226 1.320 25.161 1.00 0.88 C ATOM 0 H ILE A 23 -12.014 4.064 27.853 1.00 1.07 H new ATOM 0 HA ILE A 23 -12.471 5.262 25.310 1.00 0.94 H new ATOM 0 HB ILE A 23 -13.212 2.558 26.453 1.00 0.72 H new ATOM 0 HG12 ILE A 23 -11.040 3.363 24.460 1.00 0.72 H new ATOM 0 HG13 ILE A 23 -10.753 3.174 26.179 1.00 0.72 H new ATOM 0 HG21 ILE A 23 -13.564 1.881 24.079 1.00 0.75 H new ATOM 0 HG22 ILE A 23 -14.715 3.148 24.567 1.00 0.75 H new ATOM 0 HG23 ILE A 23 -13.303 3.566 23.569 1.00 0.75 H new ATOM 0 HD11 ILE A 23 -10.181 1.083 24.961 1.00 0.88 H new ATOM 0 HD12 ILE A 23 -11.548 0.804 26.066 1.00 0.88 H new ATOM 0 HD13 ILE A 23 -11.839 0.995 24.320 1.00 0.88 H new ATOM 367 N HIS A 24 -15.109 4.853 27.279 1.00 1.21 N ATOM 368 CA HIS A 24 -16.570 5.243 27.363 1.00 1.50 C ATOM 369 C HIS A 24 -16.729 6.705 27.767 1.00 1.78 C ATOM 370 O HIS A 24 -17.762 7.306 27.546 1.00 2.07 O ATOM 371 CB HIS A 24 -17.311 4.428 28.411 1.00 1.54 C ATOM 372 CG HIS A 24 -17.384 3.020 27.976 1.00 1.36 C ATOM 373 ND1 HIS A 24 -17.976 2.648 26.770 1.00 1.44 N ATOM 374 CD2 HIS A 24 -16.909 1.877 28.546 1.00 1.17 C ATOM 375 CE1 HIS A 24 -17.834 1.318 26.652 1.00 1.33 C ATOM 376 NE2 HIS A 24 -17.197 0.834 27.709 1.00 1.18 N ATOM 0 H HIS A 24 -14.700 4.469 28.131 1.00 1.21 H new ATOM 0 HA HIS A 24 -16.982 5.061 26.370 1.00 1.50 H new ATOM 0 HB2 HIS A 24 -16.799 4.497 29.371 1.00 1.54 H new ATOM 0 HB3 HIS A 24 -18.315 4.828 28.556 1.00 1.54 H new ATOM 0 HD1 HIS A 24 -18.432 3.270 26.102 1.00 1.44 H new ATOM 0 HD2 HIS A 24 -16.395 1.807 29.493 1.00 1.17 H new ATOM 0 HE1 HIS A 24 -18.187 0.729 25.818 1.00 1.33 H new ATOM 384 N SER A 25 -15.725 7.288 28.343 1.00 1.78 N ATOM 385 CA SER A 25 -15.823 8.714 28.751 1.00 2.12 C ATOM 386 C SER A 25 -15.094 9.537 27.706 1.00 2.04 C ATOM 387 O SER A 25 -14.939 10.738 27.818 1.00 2.23 O ATOM 388 CB SER A 25 -15.155 8.880 30.113 1.00 2.34 C ATOM 389 OG SER A 25 -15.833 8.073 31.066 1.00 2.46 O ATOM 0 H SER A 25 -14.834 6.838 28.552 1.00 1.78 H new ATOM 0 HA SER A 25 -16.861 9.039 28.826 1.00 2.12 H new ATOM 0 HB2 SER A 25 -14.106 8.591 30.055 1.00 2.34 H new ATOM 0 HB3 SER A 25 -15.181 9.926 30.419 1.00 2.34 H new ATOM 0 HG SER A 25 -15.407 8.174 31.943 1.00 2.46 H new ATOM 395 N ASP A 26 -14.630 8.869 26.685 1.00 1.80 N ATOM 396 CA ASP A 26 -13.881 9.541 25.595 1.00 1.75 C ATOM 397 C ASP A 26 -12.936 10.573 26.208 1.00 1.73 C ATOM 398 O ASP A 26 -12.959 11.742 25.871 1.00 1.79 O ATOM 399 CB ASP A 26 -14.858 10.207 24.616 1.00 1.79 C ATOM 400 CG ASP A 26 -16.086 9.308 24.428 1.00 1.82 C ATOM 401 OD1 ASP A 26 -16.625 8.856 25.423 1.00 1.96 O ATOM 402 OD2 ASP A 26 -16.466 9.090 23.289 1.00 1.87 O ATOM 0 H ASP A 26 -14.744 7.863 26.562 1.00 1.80 H new ATOM 0 HA ASP A 26 -13.297 8.808 25.038 1.00 1.75 H new ATOM 0 HB2 ASP A 26 -15.163 11.182 24.996 1.00 1.79 H new ATOM 0 HB3 ASP A 26 -14.369 10.378 23.657 1.00 1.79 H new ATOM 407 N THR A 27 -12.117 10.144 27.132 1.00 1.76 N ATOM 408 CA THR A 27 -11.177 11.082 27.796 1.00 1.79 C ATOM 409 C THR A 27 -9.810 10.988 27.126 1.00 1.59 C ATOM 410 O THR A 27 -9.114 10.001 27.252 1.00 1.51 O ATOM 411 CB THR A 27 -11.039 10.699 29.274 1.00 1.85 C ATOM 412 OG1 THR A 27 -12.282 10.195 29.742 1.00 1.74 O ATOM 413 CG2 THR A 27 -10.632 11.919 30.117 1.00 2.40 C ATOM 0 H THR A 27 -12.062 9.178 27.454 1.00 1.76 H new ATOM 0 HA THR A 27 -11.558 12.100 27.712 1.00 1.79 H new ATOM 0 HB THR A 27 -10.265 9.938 29.370 1.00 1.85 H new ATOM 0 HG1 THR A 27 -12.200 9.947 30.686 1.00 1.74 H new ATOM 0 HG21 THR A 27 -10.540 11.624 31.162 1.00 2.40 H new ATOM 0 HG22 THR A 27 -9.676 12.303 29.763 1.00 2.40 H new ATOM 0 HG23 THR A 27 -11.392 12.695 30.024 1.00 2.40 H new ATOM 421 N ARG A 28 -9.422 12.016 26.429 1.00 1.59 N ATOM 422 CA ARG A 28 -8.097 12.021 25.748 1.00 1.44 C ATOM 423 C ARG A 28 -7.376 13.319 26.125 1.00 1.43 C ATOM 424 O ARG A 28 -7.137 14.163 25.285 1.00 1.64 O ATOM 425 CB ARG A 28 -8.313 11.992 24.229 1.00 1.62 C ATOM 426 CG ARG A 28 -9.448 11.024 23.863 1.00 1.94 C ATOM 427 CD ARG A 28 -9.017 9.583 24.139 1.00 2.12 C ATOM 428 NE ARG A 28 -9.967 8.640 23.479 1.00 2.43 N ATOM 429 CZ ARG A 28 -10.199 7.463 24.004 1.00 2.64 C ATOM 430 NH1 ARG A 28 -9.607 7.112 25.113 1.00 2.64 N ATOM 431 NH2 ARG A 28 -11.023 6.639 23.417 1.00 2.94 N ATOM 0 H ARG A 28 -9.973 12.865 26.300 1.00 1.59 H new ATOM 0 HA ARG A 28 -7.509 11.154 26.049 1.00 1.44 H new ATOM 0 HB2 ARG A 28 -8.552 12.993 23.871 1.00 1.62 H new ATOM 0 HB3 ARG A 28 -7.393 11.687 23.731 1.00 1.62 H new ATOM 0 HG2 ARG A 28 -10.341 11.262 24.441 1.00 1.94 H new ATOM 0 HG3 ARG A 28 -9.710 11.139 22.811 1.00 1.94 H new ATOM 0 HD2 ARG A 28 -8.006 9.417 23.766 1.00 2.12 H new ATOM 0 HD3 ARG A 28 -8.994 9.399 25.213 1.00 2.12 H new ATOM 0 HE ARG A 28 -10.437 8.913 22.616 1.00 2.43 H new ATOM 0 HH11 ARG A 28 -8.962 7.755 25.573 1.00 2.64 H new ATOM 0 HH12 ARG A 28 -9.789 6.195 25.520 1.00 2.64 H new ATOM 0 HH21 ARG A 28 -11.486 6.912 22.550 1.00 2.94 H new ATOM 0 HH22 ARG A 28 -11.204 5.722 23.825 1.00 2.94 H new ATOM 445 N PRO A 29 -7.073 13.504 27.388 1.00 1.24 N ATOM 446 CA PRO A 29 -6.422 14.757 27.864 1.00 1.33 C ATOM 447 C PRO A 29 -4.944 14.885 27.461 1.00 1.30 C ATOM 448 O PRO A 29 -4.214 15.676 28.028 1.00 1.45 O ATOM 449 CB PRO A 29 -6.572 14.693 29.387 1.00 1.22 C ATOM 450 CG PRO A 29 -6.695 13.239 29.713 1.00 1.01 C ATOM 451 CD PRO A 29 -7.317 12.557 28.489 1.00 1.02 C ATOM 0 HA PRO A 29 -6.889 15.632 27.412 1.00 1.33 H new ATOM 0 HB2 PRO A 29 -5.710 15.136 29.886 1.00 1.22 H new ATOM 0 HB3 PRO A 29 -7.451 15.246 29.719 1.00 1.22 H new ATOM 0 HG2 PRO A 29 -5.719 12.810 29.939 1.00 1.01 H new ATOM 0 HG3 PRO A 29 -7.319 13.093 30.595 1.00 1.01 H new ATOM 0 HD2 PRO A 29 -6.854 11.590 28.293 1.00 1.02 H new ATOM 0 HD3 PRO A 29 -8.383 12.377 28.631 1.00 1.02 H new ATOM 459 N TYR A 30 -4.492 14.129 26.491 1.00 1.14 N ATOM 460 CA TYR A 30 -3.058 14.241 26.070 1.00 1.14 C ATOM 461 C TYR A 30 -2.999 14.800 24.644 1.00 1.35 C ATOM 462 O TYR A 30 -2.870 14.057 23.692 1.00 1.33 O ATOM 463 CB TYR A 30 -2.413 12.853 26.095 1.00 0.88 C ATOM 464 CG TYR A 30 -2.134 12.449 27.522 1.00 0.66 C ATOM 465 CD1 TYR A 30 -1.010 12.954 28.185 1.00 0.47 C ATOM 466 CD2 TYR A 30 -2.998 11.565 28.180 1.00 0.73 C ATOM 467 CE1 TYR A 30 -0.748 12.576 29.507 1.00 0.42 C ATOM 468 CE2 TYR A 30 -2.737 11.188 29.504 1.00 0.57 C ATOM 469 CZ TYR A 30 -1.611 11.694 30.167 1.00 0.43 C ATOM 470 OH TYR A 30 -1.355 11.322 31.471 1.00 0.50 O ATOM 0 H TYR A 30 -5.046 13.445 25.976 1.00 1.14 H new ATOM 0 HA TYR A 30 -2.524 14.904 26.751 1.00 1.14 H new ATOM 0 HB2 TYR A 30 -3.074 12.126 25.623 1.00 0.88 H new ATOM 0 HB3 TYR A 30 -1.486 12.861 25.521 1.00 0.88 H new ATOM 0 HD1 TYR A 30 -0.344 13.636 27.676 1.00 0.47 H new ATOM 0 HD2 TYR A 30 -3.865 11.174 27.667 1.00 0.73 H new ATOM 0 HE1 TYR A 30 0.120 12.965 30.018 1.00 0.42 H new ATOM 0 HE2 TYR A 30 -3.403 10.508 30.013 1.00 0.57 H new ATOM 0 HH TYR A 30 -2.053 10.706 31.778 1.00 0.50 H new ATOM 480 N PRO A 31 -3.120 16.100 24.489 1.00 1.61 N ATOM 481 CA PRO A 31 -3.108 16.741 23.146 1.00 1.84 C ATOM 482 C PRO A 31 -1.706 16.934 22.564 1.00 1.81 C ATOM 483 O PRO A 31 -0.804 17.422 23.221 1.00 1.86 O ATOM 484 CB PRO A 31 -3.772 18.088 23.387 0.50 2.12 C ATOM 485 CG PRO A 31 -3.457 18.423 24.812 0.50 2.08 C ATOM 486 CD PRO A 31 -3.288 17.095 25.560 0.50 1.77 C ATOM 0 HA PRO A 31 -3.616 16.115 22.413 1.00 1.84 H new ATOM 0 HB2 PRO A 31 -3.384 18.847 22.708 0.50 2.12 H new ATOM 0 HB3 PRO A 31 -4.848 18.033 23.223 0.50 2.12 H new ATOM 0 HG2 PRO A 31 -2.547 19.019 24.875 0.50 2.08 H new ATOM 0 HG3 PRO A 31 -4.258 19.015 25.255 0.50 2.08 H new ATOM 0 HD2 PRO A 31 -2.423 17.118 26.223 0.50 1.77 H new ATOM 0 HD3 PRO A 31 -4.157 16.872 26.179 0.50 1.77 H new ATOM 494 N CYS A 32 -1.526 16.544 21.338 1.00 1.79 N ATOM 495 CA CYS A 32 -0.200 16.688 20.681 1.00 1.78 C ATOM 496 C CYS A 32 0.217 18.161 20.668 1.00 2.06 C ATOM 497 O CYS A 32 -0.604 19.057 20.636 1.00 2.29 O ATOM 498 CB CYS A 32 -0.313 16.131 19.266 1.00 1.77 C ATOM 499 SG CYS A 32 0.568 17.177 18.091 1.00 1.93 S ATOM 0 H CYS A 32 -2.250 16.126 20.754 1.00 1.79 H new ATOM 0 HA CYS A 32 0.565 16.136 21.227 1.00 1.78 H new ATOM 0 HB2 CYS A 32 0.094 15.120 19.235 1.00 1.77 H new ATOM 0 HB3 CYS A 32 -1.363 16.061 18.981 1.00 1.77 H new ATOM 0 HG CYS A 32 1.145 16.433 17.195 1.00 1.93 H new ATOM 504 N GLN A 33 1.501 18.405 20.722 1.00 2.09 N ATOM 505 CA GLN A 33 2.022 19.805 20.753 1.00 2.39 C ATOM 506 C GLN A 33 2.107 20.434 19.345 1.00 2.52 C ATOM 507 O GLN A 33 2.260 21.636 19.241 1.00 2.79 O ATOM 508 CB GLN A 33 3.422 19.793 21.399 1.00 2.43 C ATOM 509 CG GLN A 33 3.838 21.215 21.805 1.00 2.82 C ATOM 510 CD GLN A 33 5.039 21.153 22.760 1.00 3.35 C ATOM 511 OE1 GLN A 33 5.969 20.403 22.534 1.00 3.46 O ATOM 512 NE2 GLN A 33 5.057 21.916 23.819 1.00 3.89 N ATOM 0 H GLN A 33 2.221 17.683 20.746 1.00 2.09 H new ATOM 0 HA GLN A 33 1.328 20.413 21.333 1.00 2.39 H new ATOM 0 HB2 GLN A 33 3.420 19.144 22.275 1.00 2.43 H new ATOM 0 HB3 GLN A 33 4.149 19.381 20.699 1.00 2.43 H new ATOM 0 HG2 GLN A 33 4.096 21.795 20.919 1.00 2.82 H new ATOM 0 HG3 GLN A 33 3.004 21.724 22.288 1.00 2.82 H new ATOM 0 HE21 GLN A 33 4.276 22.545 24.008 1.00 3.89 H new ATOM 0 HE22 GLN A 33 5.852 21.883 24.458 1.00 3.89 H new ATOM 521 N TYR A 34 2.038 19.678 18.267 1.00 2.34 N ATOM 522 CA TYR A 34 2.155 20.346 16.918 1.00 2.46 C ATOM 523 C TYR A 34 0.862 20.268 16.083 1.00 2.63 C ATOM 524 O TYR A 34 0.414 21.269 15.559 1.00 2.88 O ATOM 525 CB TYR A 34 3.298 19.716 16.127 1.00 2.23 C ATOM 526 CG TYR A 34 4.487 19.515 17.034 1.00 2.04 C ATOM 527 CD1 TYR A 34 4.487 18.460 17.951 1.00 2.19 C ATOM 528 CD2 TYR A 34 5.587 20.379 16.959 1.00 1.77 C ATOM 529 CE1 TYR A 34 5.587 18.264 18.793 1.00 2.09 C ATOM 530 CE2 TYR A 34 6.690 20.183 17.800 1.00 1.65 C ATOM 531 CZ TYR A 34 6.690 19.124 18.716 1.00 1.83 C ATOM 532 OH TYR A 34 7.775 18.925 19.545 1.00 1.80 O ATOM 0 H TYR A 34 1.911 18.666 18.256 1.00 2.34 H new ATOM 0 HA TYR A 34 2.350 21.401 17.112 1.00 2.46 H new ATOM 0 HB2 TYR A 34 2.981 18.761 15.708 1.00 2.23 H new ATOM 0 HB3 TYR A 34 3.571 20.357 15.289 1.00 2.23 H new ATOM 0 HD1 TYR A 34 3.637 17.796 18.010 1.00 2.19 H new ATOM 0 HD2 TYR A 34 5.585 21.196 16.253 1.00 1.77 H new ATOM 0 HE1 TYR A 34 5.586 17.450 19.502 1.00 2.09 H new ATOM 0 HE2 TYR A 34 7.539 20.848 17.742 1.00 1.65 H new ATOM 0 HH TYR A 34 8.455 19.607 19.364 1.00 1.80 H new ATOM 542 N CYS A 35 0.270 19.104 15.915 1.00 2.53 N ATOM 543 CA CYS A 35 -0.969 19.020 15.061 1.00 2.75 C ATOM 544 C CYS A 35 -2.235 18.894 15.929 1.00 2.80 C ATOM 545 O CYS A 35 -3.336 18.751 15.427 1.00 3.03 O ATOM 546 CB CYS A 35 -0.855 17.856 14.056 1.00 2.69 C ATOM 547 SG CYS A 35 -1.035 16.251 14.848 1.00 2.42 S ATOM 0 H CYS A 35 0.582 18.223 16.323 1.00 2.53 H new ATOM 0 HA CYS A 35 -1.057 19.946 14.493 1.00 2.75 H new ATOM 0 HB2 CYS A 35 -1.619 17.967 13.287 1.00 2.69 H new ATOM 0 HB3 CYS A 35 0.112 17.905 13.555 1.00 2.69 H new ATOM 0 HG CYS A 35 -0.533 16.300 16.046 1.00 2.42 H new ATOM 552 N GLY A 36 -2.090 19.020 17.218 1.00 2.59 N ATOM 553 CA GLY A 36 -3.271 18.992 18.130 1.00 2.64 C ATOM 554 C GLY A 36 -3.886 17.596 18.327 1.00 2.52 C ATOM 555 O GLY A 36 -4.844 17.462 19.067 1.00 2.59 O ATOM 0 H GLY A 36 -1.192 19.143 17.686 1.00 2.59 H new ATOM 0 HA2 GLY A 36 -2.974 19.386 19.102 1.00 2.64 H new ATOM 0 HA3 GLY A 36 -4.036 19.661 17.735 1.00 2.64 H new ATOM 559 N LYS A 37 -3.397 16.554 17.697 1.00 2.36 N ATOM 560 CA LYS A 37 -4.039 15.214 17.925 1.00 2.29 C ATOM 561 C LYS A 37 -4.354 15.063 19.419 1.00 2.05 C ATOM 562 O LYS A 37 -3.869 15.809 20.243 1.00 1.86 O ATOM 563 CB LYS A 37 -3.102 14.061 17.502 1.00 2.23 C ATOM 564 CG LYS A 37 -3.359 13.628 16.042 1.00 2.29 C ATOM 565 CD LYS A 37 -3.161 12.108 15.918 1.00 2.35 C ATOM 566 CE LYS A 37 -3.652 11.623 14.549 1.00 2.68 C ATOM 567 NZ LYS A 37 -3.238 12.590 13.495 1.00 3.06 N ATOM 0 H LYS A 37 -2.606 16.566 17.053 1.00 2.36 H new ATOM 0 HA LYS A 37 -4.947 15.163 17.324 1.00 2.29 H new ATOM 0 HB2 LYS A 37 -2.064 14.376 17.612 1.00 2.23 H new ATOM 0 HB3 LYS A 37 -3.249 13.209 18.166 1.00 2.23 H new ATOM 0 HG2 LYS A 37 -4.371 13.900 15.743 1.00 2.29 H new ATOM 0 HG3 LYS A 37 -2.678 14.151 15.371 1.00 2.29 H new ATOM 0 HD2 LYS A 37 -2.107 11.859 16.044 1.00 2.35 H new ATOM 0 HD3 LYS A 37 -3.707 11.596 16.711 1.00 2.35 H new ATOM 0 HE2 LYS A 37 -3.241 10.637 14.333 1.00 2.68 H new ATOM 0 HE3 LYS A 37 -4.737 11.521 14.556 1.00 2.68 H new ATOM 0 HZ1 LYS A 37 -3.277 12.127 12.565 1.00 3.06 H new ATOM 0 HZ2 LYS A 37 -3.881 13.407 13.502 1.00 3.06 H new ATOM 0 HZ3 LYS A 37 -2.267 12.912 13.681 1.00 3.06 H new ATOM 581 N ARG A 38 -5.157 14.099 19.770 1.00 2.08 N ATOM 582 CA ARG A 38 -5.506 13.886 21.202 1.00 1.86 C ATOM 583 C ARG A 38 -5.261 12.422 21.544 1.00 1.68 C ATOM 584 O ARG A 38 -5.664 11.532 20.823 1.00 1.82 O ATOM 585 CB ARG A 38 -6.983 14.227 21.438 1.00 2.00 C ATOM 586 CG ARG A 38 -7.185 15.755 21.409 1.00 2.11 C ATOM 587 CD ARG A 38 -8.108 16.131 20.247 1.00 2.32 C ATOM 588 NE ARG A 38 -7.665 15.410 19.021 1.00 2.60 N ATOM 589 CZ ARG A 38 -7.972 15.870 17.842 1.00 3.02 C ATOM 590 NH1 ARG A 38 -8.701 16.947 17.729 1.00 3.21 N ATOM 591 NH2 ARG A 38 -7.556 15.248 16.775 1.00 3.40 N ATOM 0 H ARG A 38 -5.591 13.443 19.120 1.00 2.08 H new ATOM 0 HA ARG A 38 -4.893 14.530 21.832 1.00 1.86 H new ATOM 0 HB2 ARG A 38 -7.600 13.756 20.672 1.00 2.00 H new ATOM 0 HB3 ARG A 38 -7.307 13.828 22.399 1.00 2.00 H new ATOM 0 HG2 ARG A 38 -7.615 16.093 22.352 1.00 2.11 H new ATOM 0 HG3 ARG A 38 -6.224 16.257 21.300 1.00 2.11 H new ATOM 0 HD2 ARG A 38 -9.139 15.869 20.486 1.00 2.32 H new ATOM 0 HD3 ARG A 38 -8.083 17.208 20.080 1.00 2.32 H new ATOM 0 HE ARG A 38 -7.119 14.553 19.105 1.00 2.60 H new ATOM 0 HH11 ARG A 38 -9.031 17.429 18.565 1.00 3.21 H new ATOM 0 HH12 ARG A 38 -8.941 17.306 16.805 1.00 3.21 H new ATOM 0 HH21 ARG A 38 -6.992 14.403 16.865 1.00 3.40 H new ATOM 0 HH22 ARG A 38 -7.795 15.606 15.850 1.00 3.40 H new ATOM 605 N PHE A 39 -4.606 12.161 22.646 1.00 1.41 N ATOM 606 CA PHE A 39 -4.330 10.755 23.041 1.00 1.26 C ATOM 607 C PHE A 39 -4.826 10.526 24.465 1.00 1.12 C ATOM 608 O PHE A 39 -5.273 11.442 25.137 1.00 1.02 O ATOM 609 CB PHE A 39 -2.827 10.495 22.988 1.00 1.07 C ATOM 610 CG PHE A 39 -2.328 10.758 21.592 1.00 1.21 C ATOM 611 CD1 PHE A 39 -2.311 9.725 20.651 1.00 1.29 C ATOM 612 CD2 PHE A 39 -1.886 12.038 21.239 1.00 1.32 C ATOM 613 CE1 PHE A 39 -1.855 9.971 19.353 1.00 1.44 C ATOM 614 CE2 PHE A 39 -1.428 12.283 19.943 1.00 1.46 C ATOM 615 CZ PHE A 39 -1.414 11.251 19.000 1.00 1.49 C ATOM 0 H PHE A 39 -4.250 12.868 23.290 1.00 1.41 H new ATOM 0 HA PHE A 39 -4.842 10.079 22.357 1.00 1.26 H new ATOM 0 HB2 PHE A 39 -2.309 11.138 23.699 1.00 1.07 H new ATOM 0 HB3 PHE A 39 -2.614 9.465 23.275 1.00 1.07 H new ATOM 0 HD1 PHE A 39 -2.650 8.737 20.927 1.00 1.29 H new ATOM 0 HD2 PHE A 39 -1.899 12.835 21.968 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -1.843 9.174 18.624 1.00 1.44 H new ATOM 0 HE2 PHE A 39 -1.085 13.270 19.669 1.00 1.46 H new ATOM 0 HZ PHE A 39 -1.062 11.442 17.997 1.00 1.49 H new ATOM 625 N HIS A 40 -4.759 9.306 24.918 1.00 1.17 N ATOM 626 CA HIS A 40 -5.232 8.978 26.293 1.00 1.10 C ATOM 627 C HIS A 40 -4.063 8.509 27.165 1.00 0.88 C ATOM 628 O HIS A 40 -4.218 8.319 28.355 1.00 0.77 O ATOM 629 CB HIS A 40 -6.272 7.861 26.203 1.00 1.36 C ATOM 630 CG HIS A 40 -5.873 6.895 25.120 1.00 1.59 C ATOM 631 ND1 HIS A 40 -4.579 6.829 24.629 1.00 1.64 N ATOM 632 CD2 HIS A 40 -6.589 5.958 24.417 1.00 1.90 C ATOM 633 CE1 HIS A 40 -4.556 5.883 23.673 1.00 1.91 C ATOM 634 NE2 HIS A 40 -5.755 5.321 23.504 1.00 2.07 N ATOM 0 H HIS A 40 -4.393 8.514 24.390 1.00 1.17 H new ATOM 0 HA HIS A 40 -5.669 9.870 26.743 1.00 1.10 H new ATOM 0 HB2 HIS A 40 -6.349 7.342 27.159 1.00 1.36 H new ATOM 0 HB3 HIS A 40 -7.255 8.280 25.988 1.00 1.36 H new ATOM 0 HD2 HIS A 40 -7.640 5.748 24.552 1.00 1.90 H new ATOM 0 HE1 HIS A 40 -3.675 5.611 23.111 1.00 1.91 H new ATOM 0 HE2 HIS A 40 -6.006 4.583 22.846 1.00 2.07 H new ATOM 642 N GLN A 41 -2.894 8.316 26.603 1.00 0.88 N ATOM 643 CA GLN A 41 -1.743 7.859 27.443 1.00 0.78 C ATOM 644 C GLN A 41 -0.518 8.727 27.141 1.00 0.56 C ATOM 645 O GLN A 41 -0.120 8.874 26.003 1.00 0.58 O ATOM 646 CB GLN A 41 -1.441 6.388 27.134 1.00 1.02 C ATOM 647 CG GLN A 41 -2.673 5.538 27.466 1.00 1.27 C ATOM 648 CD GLN A 41 -2.424 4.083 27.057 1.00 1.52 C ATOM 649 OE1 GLN A 41 -1.383 3.766 26.517 1.00 1.77 O ATOM 650 NE2 GLN A 41 -3.341 3.182 27.296 1.00 2.11 N ATOM 0 H GLN A 41 -2.689 8.453 25.613 1.00 0.88 H new ATOM 0 HA GLN A 41 -1.994 7.955 28.499 1.00 0.78 H new ATOM 0 HB2 GLN A 41 -1.177 6.272 26.083 1.00 1.02 H new ATOM 0 HB3 GLN A 41 -0.584 6.050 27.717 1.00 1.02 H new ATOM 0 HG2 GLN A 41 -2.888 5.594 28.533 1.00 1.27 H new ATOM 0 HG3 GLN A 41 -3.547 5.928 26.944 1.00 1.27 H new ATOM 0 HE21 GLN A 41 -4.214 3.451 27.750 1.00 2.11 H new ATOM 0 HE22 GLN A 41 -3.183 2.210 27.029 1.00 2.11 H new ATOM 659 N LYS A 42 0.053 9.345 28.142 1.00 0.45 N ATOM 660 CA LYS A 42 1.227 10.242 27.902 1.00 0.40 C ATOM 661 C LYS A 42 2.183 9.604 26.897 1.00 0.47 C ATOM 662 O LYS A 42 2.400 10.117 25.816 1.00 0.48 O ATOM 663 CB LYS A 42 1.969 10.459 29.220 1.00 0.60 C ATOM 664 CG LYS A 42 3.162 11.396 29.010 1.00 0.83 C ATOM 665 CD LYS A 42 3.727 11.784 30.377 1.00 1.06 C ATOM 666 CE LYS A 42 4.955 12.675 30.203 1.00 1.46 C ATOM 667 NZ LYS A 42 5.507 13.014 31.544 1.00 1.95 N ATOM 0 H LYS A 42 -0.241 9.269 29.116 1.00 0.45 H new ATOM 0 HA LYS A 42 0.871 11.193 27.506 1.00 0.40 H new ATOM 0 HB2 LYS A 42 1.291 10.882 29.961 1.00 0.60 H new ATOM 0 HB3 LYS A 42 2.314 9.503 29.613 1.00 0.60 H new ATOM 0 HG2 LYS A 42 3.928 10.904 28.410 1.00 0.83 H new ATOM 0 HG3 LYS A 42 2.852 12.286 28.463 1.00 0.83 H new ATOM 0 HD2 LYS A 42 2.968 12.307 30.958 1.00 1.06 H new ATOM 0 HD3 LYS A 42 3.995 10.888 30.936 1.00 1.06 H new ATOM 0 HE2 LYS A 42 5.709 12.163 29.605 1.00 1.46 H new ATOM 0 HE3 LYS A 42 4.686 13.585 29.666 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 6.344 13.621 31.432 1.00 1.95 H new ATOM 0 HZ2 LYS A 42 4.786 13.518 32.099 1.00 1.95 H new ATOM 0 HZ3 LYS A 42 5.777 12.140 32.039 1.00 1.95 H new ATOM 681 N SER A 43 2.773 8.507 27.263 1.00 0.63 N ATOM 682 CA SER A 43 3.746 7.831 26.365 1.00 0.78 C ATOM 683 C SER A 43 3.173 7.668 24.954 1.00 0.69 C ATOM 684 O SER A 43 3.888 7.765 23.980 1.00 0.59 O ATOM 685 CB SER A 43 4.074 6.463 26.947 1.00 1.07 C ATOM 686 OG SER A 43 2.867 5.819 27.328 1.00 1.09 O ATOM 0 H SER A 43 2.622 8.042 28.158 1.00 0.63 H new ATOM 0 HA SER A 43 4.647 8.441 26.293 1.00 0.78 H new ATOM 0 HB2 SER A 43 4.607 5.859 26.212 1.00 1.07 H new ATOM 0 HB3 SER A 43 4.732 6.569 27.809 1.00 1.07 H new ATOM 0 HG SER A 43 3.071 4.937 27.702 1.00 1.09 H new ATOM 692 N ASP A 44 1.892 7.477 24.823 1.00 0.81 N ATOM 693 CA ASP A 44 1.321 7.368 23.454 1.00 0.90 C ATOM 694 C ASP A 44 1.483 8.720 22.775 1.00 0.72 C ATOM 695 O ASP A 44 1.996 8.802 21.674 1.00 0.81 O ATOM 696 CB ASP A 44 -0.154 6.948 23.499 1.00 1.13 C ATOM 697 CG ASP A 44 -0.243 5.422 23.608 1.00 1.47 C ATOM 698 OD1 ASP A 44 0.306 4.884 24.554 1.00 1.90 O ATOM 699 OD2 ASP A 44 -0.855 4.822 22.741 1.00 1.65 O ATOM 0 H ASP A 44 1.225 7.393 25.590 1.00 0.81 H new ATOM 0 HA ASP A 44 1.848 6.598 22.891 1.00 0.90 H new ATOM 0 HB2 ASP A 44 -0.651 7.414 24.350 1.00 1.13 H new ATOM 0 HB3 ASP A 44 -0.669 7.291 22.602 1.00 1.13 H new ATOM 704 N MET A 45 1.116 9.792 23.413 1.00 0.55 N ATOM 705 CA MET A 45 1.327 11.105 22.767 1.00 0.55 C ATOM 706 C MET A 45 2.826 11.315 22.568 1.00 0.45 C ATOM 707 O MET A 45 3.271 11.735 21.529 1.00 0.57 O ATOM 708 CB MET A 45 0.802 12.226 23.661 0.50 0.54 C ATOM 709 CG MET A 45 1.217 13.584 23.070 0.50 0.80 C ATOM 710 SD MET A 45 2.703 14.185 23.915 1.00 0.95 S ATOM 711 CE MET A 45 1.909 14.724 25.451 1.00 0.85 C ATOM 0 H MET A 45 0.687 9.814 24.338 1.00 0.55 H new ATOM 0 HA MET A 45 0.798 11.122 21.814 1.00 0.55 H new ATOM 0 HB2 MET A 45 -0.284 12.167 23.739 0.50 0.54 H new ATOM 0 HB3 MET A 45 1.200 12.119 24.670 0.50 0.54 H new ATOM 0 HG2 MET A 45 1.409 13.484 22.002 0.50 0.80 H new ATOM 0 HG3 MET A 45 0.406 14.304 23.182 0.50 0.80 H new ATOM 0 HE1 MET A 45 2.137 15.775 25.629 1.00 0.85 H new ATOM 0 HE2 MET A 45 0.830 14.596 25.367 1.00 0.85 H new ATOM 0 HE3 MET A 45 2.282 14.126 26.283 1.00 0.85 H new ATOM 721 N LYS A 46 3.614 11.058 23.581 1.00 0.35 N ATOM 722 CA LYS A 46 5.076 11.286 23.441 1.00 0.42 C ATOM 723 C LYS A 46 5.570 10.544 22.207 1.00 0.35 C ATOM 724 O LYS A 46 6.356 11.051 21.434 1.00 0.38 O ATOM 725 CB LYS A 46 5.813 10.782 24.681 1.00 0.62 C ATOM 726 CG LYS A 46 5.679 11.809 25.812 1.00 0.90 C ATOM 727 CD LYS A 46 6.764 12.882 25.658 1.00 1.48 C ATOM 728 CE LYS A 46 6.708 13.852 26.840 1.00 1.96 C ATOM 729 NZ LYS A 46 7.386 15.123 26.462 1.00 2.03 N ATOM 0 H LYS A 46 3.309 10.704 24.488 1.00 0.35 H new ATOM 0 HA LYS A 46 5.270 12.353 23.336 1.00 0.42 H new ATOM 0 HB2 LYS A 46 5.402 9.823 24.996 1.00 0.62 H new ATOM 0 HB3 LYS A 46 6.865 10.617 24.449 1.00 0.62 H new ATOM 0 HG2 LYS A 46 4.691 12.269 25.785 1.00 0.90 H new ATOM 0 HG3 LYS A 46 5.775 11.316 26.779 1.00 0.90 H new ATOM 0 HD2 LYS A 46 7.747 12.413 25.607 1.00 1.48 H new ATOM 0 HD3 LYS A 46 6.621 13.425 24.724 1.00 1.48 H new ATOM 0 HE2 LYS A 46 5.672 14.047 27.117 1.00 1.96 H new ATOM 0 HE3 LYS A 46 7.194 13.412 27.711 1.00 1.96 H new ATOM 0 HZ1 LYS A 46 7.351 15.786 27.262 1.00 2.03 H new ATOM 0 HZ2 LYS A 46 8.378 14.928 26.217 1.00 2.03 H new ATOM 0 HZ3 LYS A 46 6.903 15.543 25.642 1.00 2.03 H new ATOM 743 N LYS A 47 5.092 9.351 21.997 1.00 0.44 N ATOM 744 CA LYS A 47 5.524 8.602 20.788 1.00 0.57 C ATOM 745 C LYS A 47 5.042 9.390 19.574 1.00 0.62 C ATOM 746 O LYS A 47 5.702 9.483 18.550 1.00 0.67 O ATOM 747 CB LYS A 47 4.902 7.203 20.793 1.00 0.85 C ATOM 748 CG LYS A 47 5.693 6.301 21.750 1.00 0.99 C ATOM 749 CD LYS A 47 5.278 4.840 21.555 1.00 1.32 C ATOM 750 CE LYS A 47 3.893 4.601 22.161 1.00 1.56 C ATOM 751 NZ LYS A 47 3.652 3.133 22.269 1.00 1.65 N ATOM 0 H LYS A 47 4.429 8.867 22.602 1.00 0.44 H new ATOM 0 HA LYS A 47 6.608 8.488 20.766 1.00 0.57 H new ATOM 0 HB2 LYS A 47 3.859 7.257 21.104 1.00 0.85 H new ATOM 0 HB3 LYS A 47 4.913 6.784 19.787 1.00 0.85 H new ATOM 0 HG2 LYS A 47 6.762 6.412 21.567 1.00 0.99 H new ATOM 0 HG3 LYS A 47 5.513 6.604 22.781 1.00 0.99 H new ATOM 0 HD2 LYS A 47 5.266 4.596 20.493 1.00 1.32 H new ATOM 0 HD3 LYS A 47 6.008 4.181 22.025 1.00 1.32 H new ATOM 0 HE2 LYS A 47 3.828 5.066 23.145 1.00 1.56 H new ATOM 0 HE3 LYS A 47 3.126 5.063 21.539 1.00 1.56 H new ATOM 0 HZ1 LYS A 47 2.712 2.965 22.680 1.00 1.65 H new ATOM 0 HZ2 LYS A 47 3.698 2.703 21.323 1.00 1.65 H new ATOM 0 HZ3 LYS A 47 4.378 2.706 22.879 1.00 1.65 H new ATOM 765 N HIS A 48 3.922 10.034 19.726 1.00 0.72 N ATOM 766 CA HIS A 48 3.412 10.882 18.627 1.00 0.94 C ATOM 767 C HIS A 48 4.368 12.079 18.506 1.00 0.92 C ATOM 768 O HIS A 48 5.019 12.286 17.486 1.00 1.05 O ATOM 769 CB HIS A 48 1.990 11.320 18.983 1.00 1.08 C ATOM 770 CG HIS A 48 1.478 12.268 17.954 1.00 1.33 C ATOM 771 ND1 HIS A 48 0.711 11.863 16.853 1.00 1.59 N ATOM 772 CD2 HIS A 48 1.581 13.618 17.869 1.00 1.42 C ATOM 773 CE1 HIS A 48 0.385 12.978 16.163 1.00 1.78 C ATOM 774 NE2 HIS A 48 0.896 14.037 16.764 1.00 1.70 N ATOM 0 H HIS A 48 3.341 10.008 20.564 1.00 0.72 H new ATOM 0 HA HIS A 48 3.372 10.358 17.672 1.00 0.94 H new ATOM 0 HB2 HIS A 48 1.337 10.449 19.045 1.00 1.08 H new ATOM 0 HB3 HIS A 48 1.981 11.795 19.964 1.00 1.08 H new ATOM 0 HD1 HIS A 48 0.448 10.906 16.617 1.00 1.59 H new ATOM 0 HD2 HIS A 48 2.115 14.255 18.559 1.00 1.42 H new ATOM 0 HE1 HIS A 48 -0.204 13.000 15.258 1.00 1.78 H new ATOM 782 N THR A 49 4.489 12.874 19.541 1.00 0.80 N ATOM 783 CA THR A 49 5.425 14.027 19.489 1.00 0.91 C ATOM 784 C THR A 49 6.717 13.594 18.820 1.00 0.86 C ATOM 785 O THR A 49 7.343 14.351 18.111 1.00 1.03 O ATOM 786 CB THR A 49 5.770 14.466 20.913 1.00 0.87 C ATOM 787 OG1 THR A 49 6.164 13.330 21.668 1.00 0.65 O ATOM 788 CG2 THR A 49 4.568 15.134 21.583 1.00 1.07 C ATOM 0 H THR A 49 3.978 12.770 20.417 1.00 0.80 H new ATOM 0 HA THR A 49 4.955 14.841 18.937 1.00 0.91 H new ATOM 0 HB THR A 49 6.585 15.188 20.870 1.00 0.87 H new ATOM 0 HG1 THR A 49 5.981 12.516 21.154 1.00 0.65 H new ATOM 0 HG21 THR A 49 4.838 15.438 22.595 1.00 1.07 H new ATOM 0 HG22 THR A 49 4.272 16.011 21.008 1.00 1.07 H new ATOM 0 HG23 THR A 49 3.737 14.430 21.625 1.00 1.07 H new ATOM 796 N PHE A 50 7.131 12.376 19.025 1.00 0.64 N ATOM 797 CA PHE A 50 8.385 11.914 18.380 1.00 0.60 C ATOM 798 C PHE A 50 8.153 11.798 16.867 1.00 0.80 C ATOM 799 O PHE A 50 9.028 12.093 16.088 1.00 0.86 O ATOM 800 CB PHE A 50 8.809 10.577 18.993 1.00 0.45 C ATOM 801 CG PHE A 50 9.408 10.805 20.380 1.00 0.40 C ATOM 802 CD1 PHE A 50 9.148 11.993 21.097 1.00 0.56 C ATOM 803 CD2 PHE A 50 10.234 9.825 20.949 1.00 0.44 C ATOM 804 CE1 PHE A 50 9.707 12.187 22.364 1.00 0.76 C ATOM 805 CE2 PHE A 50 10.791 10.025 22.221 1.00 0.56 C ATOM 806 CZ PHE A 50 10.529 11.206 22.926 1.00 0.74 C ATOM 0 H PHE A 50 6.657 11.686 19.608 1.00 0.64 H new ATOM 0 HA PHE A 50 9.191 12.628 18.549 1.00 0.60 H new ATOM 0 HB2 PHE A 50 7.949 9.911 19.064 1.00 0.45 H new ATOM 0 HB3 PHE A 50 9.539 10.087 18.349 1.00 0.45 H new ATOM 0 HD1 PHE A 50 8.515 12.755 20.666 1.00 0.56 H new ATOM 0 HD2 PHE A 50 10.442 8.914 20.407 1.00 0.44 H new ATOM 0 HE1 PHE A 50 9.503 13.097 22.909 1.00 0.76 H new ATOM 0 HE2 PHE A 50 11.423 9.266 22.657 1.00 0.56 H new ATOM 0 HZ PHE A 50 10.962 11.359 23.904 1.00 0.74 H new ATOM 816 N ILE A 51 6.957 11.461 16.438 1.00 0.95 N ATOM 817 CA ILE A 51 6.711 11.444 14.962 1.00 1.21 C ATOM 818 C ILE A 51 6.922 12.876 14.435 1.00 1.34 C ATOM 819 O ILE A 51 7.447 13.057 13.354 1.00 1.48 O ATOM 820 CB ILE A 51 5.307 10.900 14.598 1.00 1.43 C ATOM 821 CG1 ILE A 51 4.210 11.954 14.825 1.00 1.69 C ATOM 822 CG2 ILE A 51 5.003 9.668 15.452 1.00 1.52 C ATOM 823 CD1 ILE A 51 2.896 11.444 14.228 1.00 1.93 C ATOM 0 H ILE A 51 6.164 11.205 17.026 1.00 0.95 H new ATOM 0 HA ILE A 51 7.413 10.759 14.487 1.00 1.21 H new ATOM 0 HB ILE A 51 5.313 10.640 13.539 1.00 1.43 H new ATOM 0 HG12 ILE A 51 4.089 12.148 15.891 1.00 1.69 H new ATOM 0 HG13 ILE A 51 4.493 12.898 14.360 1.00 1.69 H new ATOM 0 HG21 ILE A 51 4.015 9.284 15.197 1.00 1.52 H new ATOM 0 HG22 ILE A 51 5.752 8.899 15.261 1.00 1.52 H new ATOM 0 HG23 ILE A 51 5.025 9.942 16.507 1.00 1.52 H new ATOM 0 HD11 ILE A 51 2.113 12.186 14.385 1.00 1.93 H new ATOM 0 HD12 ILE A 51 3.024 11.272 13.159 1.00 1.93 H new ATOM 0 HD13 ILE A 51 2.614 10.510 14.714 1.00 1.93 H new ATOM 835 N HIS A 52 6.596 13.896 15.189 1.00 1.35 N ATOM 836 CA HIS A 52 6.893 15.281 14.666 1.00 1.57 C ATOM 837 C HIS A 52 8.401 15.556 14.783 1.00 1.48 C ATOM 838 O HIS A 52 8.953 16.358 14.054 1.00 1.69 O ATOM 839 CB HIS A 52 6.190 16.375 15.471 1.00 1.74 C ATOM 840 CG HIS A 52 4.720 16.375 15.211 1.00 1.86 C ATOM 841 ND1 HIS A 52 4.140 16.724 13.976 1.00 2.13 N ATOM 842 CD2 HIS A 52 3.692 16.089 16.039 1.00 1.77 C ATOM 843 CE1 HIS A 52 2.794 16.629 14.127 1.00 2.21 C ATOM 844 NE2 HIS A 52 2.515 16.255 15.366 1.00 1.99 N ATOM 0 H HIS A 52 6.155 13.845 16.107 1.00 1.35 H new ATOM 0 HA HIS A 52 6.540 15.306 13.635 1.00 1.57 H new ATOM 0 HB2 HIS A 52 6.374 16.223 16.535 1.00 1.74 H new ATOM 0 HB3 HIS A 52 6.608 17.347 15.211 1.00 1.74 H new ATOM 0 HD1 HIS A 52 4.637 16.997 13.128 1.00 2.13 H new ATOM 0 HD2 HIS A 52 3.786 15.779 17.069 1.00 1.77 H new ATOM 0 HE1 HIS A 52 2.064 16.828 13.356 1.00 2.21 H new ATOM 852 N THR A 53 9.063 14.931 15.732 1.00 1.22 N ATOM 853 CA THR A 53 10.528 15.192 15.927 1.00 1.22 C ATOM 854 C THR A 53 11.361 14.194 15.106 1.00 1.05 C ATOM 855 O THR A 53 12.575 14.219 15.126 1.00 0.95 O ATOM 856 CB THR A 53 10.880 14.985 17.404 1.00 1.17 C ATOM 857 OG1 THR A 53 10.673 13.622 17.744 1.00 1.04 O ATOM 858 CG2 THR A 53 10.007 15.878 18.289 1.00 1.31 C ATOM 0 H THR A 53 8.654 14.255 16.377 1.00 1.22 H new ATOM 0 HA THR A 53 10.746 16.211 15.608 1.00 1.22 H new ATOM 0 HB THR A 53 11.924 15.252 17.565 1.00 1.17 H new ATOM 0 HG1 THR A 53 10.172 13.179 17.028 1.00 1.04 H new ATOM 0 HG21 THR A 53 10.268 15.720 19.335 1.00 1.31 H new ATOM 0 HG22 THR A 53 10.173 16.923 18.027 1.00 1.31 H new ATOM 0 HG23 THR A 53 8.957 15.628 18.135 1.00 1.31 H new ATOM 866 N GLY A 54 10.703 13.284 14.428 1.00 1.07 N ATOM 867 CA GLY A 54 11.412 12.219 13.642 1.00 0.94 C ATOM 868 C GLY A 54 12.471 11.530 14.526 1.00 0.88 C ATOM 869 O GLY A 54 13.416 10.945 14.039 1.00 0.88 O ATOM 0 H GLY A 54 9.685 13.232 14.384 1.00 1.07 H new ATOM 0 HA2 GLY A 54 10.694 11.483 13.280 1.00 0.94 H new ATOM 0 HA3 GLY A 54 11.888 12.658 12.765 1.00 0.94 H new ATOM 873 N GLU A 55 12.361 11.677 15.820 1.00 0.88 N ATOM 874 CA GLU A 55 13.400 11.112 16.752 1.00 0.86 C ATOM 875 C GLU A 55 13.347 9.588 16.972 1.00 0.73 C ATOM 876 O GLU A 55 13.856 9.087 17.955 1.00 0.70 O ATOM 877 CB GLU A 55 13.199 11.798 18.097 1.00 0.92 C ATOM 878 CG GLU A 55 13.850 13.189 18.033 1.00 0.97 C ATOM 879 CD GLU A 55 13.614 13.938 19.343 1.00 1.11 C ATOM 880 OE1 GLU A 55 13.140 13.318 20.277 1.00 1.21 O ATOM 881 OE2 GLU A 55 13.919 15.120 19.390 1.00 1.27 O ATOM 0 H GLU A 55 11.594 12.166 16.281 1.00 0.88 H new ATOM 0 HA GLU A 55 14.370 11.297 16.291 1.00 0.86 H new ATOM 0 HB2 GLU A 55 12.136 11.886 18.323 1.00 0.92 H new ATOM 0 HB3 GLU A 55 13.646 11.206 18.895 1.00 0.92 H new ATOM 0 HG2 GLU A 55 14.920 13.091 17.849 1.00 0.97 H new ATOM 0 HG3 GLU A 55 13.434 13.756 17.200 1.00 0.97 H new ATOM 888 N LYS A 56 12.736 8.864 16.097 1.00 0.68 N ATOM 889 CA LYS A 56 12.634 7.370 16.276 1.00 0.56 C ATOM 890 C LYS A 56 13.783 6.842 17.168 1.00 0.53 C ATOM 891 O LYS A 56 14.873 6.600 16.691 1.00 0.54 O ATOM 892 CB LYS A 56 12.713 6.687 14.905 1.00 0.57 C ATOM 893 CG LYS A 56 11.421 6.954 14.110 1.00 0.60 C ATOM 894 CD LYS A 56 11.720 7.890 12.934 1.00 0.70 C ATOM 895 CE LYS A 56 10.429 8.181 12.163 1.00 0.91 C ATOM 896 NZ LYS A 56 9.443 8.839 13.067 1.00 1.14 N ATOM 0 H LYS A 56 12.293 9.227 15.253 1.00 0.68 H new ATOM 0 HA LYS A 56 11.683 7.145 16.758 1.00 0.56 H new ATOM 0 HB2 LYS A 56 13.574 7.061 14.352 1.00 0.57 H new ATOM 0 HB3 LYS A 56 12.857 5.614 15.031 1.00 0.57 H new ATOM 0 HG2 LYS A 56 11.008 6.014 13.743 1.00 0.60 H new ATOM 0 HG3 LYS A 56 10.669 7.401 14.760 1.00 0.60 H new ATOM 0 HD2 LYS A 56 12.154 8.821 13.299 1.00 0.70 H new ATOM 0 HD3 LYS A 56 12.455 7.433 12.271 1.00 0.70 H new ATOM 0 HE2 LYS A 56 10.641 8.825 11.309 1.00 0.91 H new ATOM 0 HE3 LYS A 56 10.013 7.254 11.768 1.00 0.91 H new ATOM 0 HZ1 LYS A 56 8.746 9.362 12.499 1.00 1.14 H new ATOM 0 HZ2 LYS A 56 8.956 8.116 13.634 1.00 1.14 H new ATOM 0 HZ3 LYS A 56 9.939 9.499 13.700 1.00 1.14 H new ATOM 910 N PRO A 57 13.544 6.657 18.453 1.00 0.56 N ATOM 911 CA PRO A 57 14.582 6.160 19.412 1.00 0.60 C ATOM 912 C PRO A 57 14.783 4.642 19.322 1.00 0.55 C ATOM 913 O PRO A 57 15.798 4.117 19.733 1.00 0.63 O ATOM 914 CB PRO A 57 14.040 6.538 20.805 1.00 0.73 C ATOM 915 CG PRO A 57 12.719 7.215 20.585 1.00 0.70 C ATOM 916 CD PRO A 57 12.281 6.913 19.147 1.00 0.61 C ATOM 0 HA PRO A 57 15.555 6.600 19.194 1.00 0.60 H new ATOM 0 HB2 PRO A 57 13.921 5.651 21.428 1.00 0.73 H new ATOM 0 HB3 PRO A 57 14.733 7.201 21.323 1.00 0.73 H new ATOM 0 HG2 PRO A 57 11.978 6.850 21.296 1.00 0.70 H new ATOM 0 HG3 PRO A 57 12.808 8.290 20.741 1.00 0.70 H new ATOM 0 HD2 PRO A 57 11.616 6.050 19.102 1.00 0.61 H new ATOM 0 HD3 PRO A 57 11.744 7.753 18.706 1.00 0.61 H new ATOM 924 N HIS A 58 13.835 3.939 18.783 1.00 0.47 N ATOM 925 CA HIS A 58 14.002 2.462 18.673 1.00 0.49 C ATOM 926 C HIS A 58 14.857 2.176 17.437 1.00 0.48 C ATOM 927 O HIS A 58 14.394 2.268 16.329 1.00 0.48 O ATOM 928 CB HIS A 58 12.627 1.807 18.549 1.00 0.53 C ATOM 929 CG HIS A 58 11.863 2.053 19.818 1.00 0.57 C ATOM 930 ND1 HIS A 58 12.189 1.422 21.008 1.00 0.66 N ATOM 931 CD2 HIS A 58 10.803 2.876 20.107 1.00 0.62 C ATOM 932 CE1 HIS A 58 11.341 1.873 21.951 1.00 0.74 C ATOM 933 NE2 HIS A 58 10.476 2.762 21.455 1.00 0.72 N ATOM 0 H HIS A 58 12.960 4.313 18.416 1.00 0.47 H new ATOM 0 HA HIS A 58 14.493 2.055 19.557 1.00 0.49 H new ATOM 0 HB2 HIS A 58 12.087 2.219 17.696 1.00 0.53 H new ATOM 0 HB3 HIS A 58 12.732 0.737 18.372 1.00 0.53 H new ATOM 0 HD2 HIS A 58 10.299 3.515 19.396 1.00 0.62 H new ATOM 0 HE1 HIS A 58 11.358 1.555 22.983 1.00 0.74 H new ATOM 0 HE2 HIS A 58 9.735 3.252 21.956 1.00 0.72 H new ATOM 941 N LYS A 59 16.117 1.871 17.616 1.00 0.56 N ATOM 942 CA LYS A 59 16.985 1.634 16.426 1.00 0.64 C ATOM 943 C LYS A 59 17.261 0.154 16.221 1.00 0.74 C ATOM 944 O LYS A 59 17.883 -0.498 17.029 1.00 0.80 O ATOM 945 CB LYS A 59 18.317 2.334 16.623 1.00 0.72 C ATOM 946 CG LYS A 59 18.091 3.803 16.953 1.00 0.70 C ATOM 947 CD LYS A 59 19.455 4.467 17.097 1.00 0.62 C ATOM 948 CE LYS A 59 19.298 5.870 17.673 1.00 0.63 C ATOM 949 NZ LYS A 59 20.646 6.487 17.780 1.00 0.94 N ATOM 0 H LYS A 59 16.576 1.777 18.522 1.00 0.56 H new ATOM 0 HA LYS A 59 16.460 2.023 15.554 1.00 0.64 H new ATOM 0 HB2 LYS A 59 18.874 1.854 17.428 1.00 0.72 H new ATOM 0 HB3 LYS A 59 18.921 2.245 15.720 1.00 0.72 H new ATOM 0 HG2 LYS A 59 17.513 4.286 16.165 1.00 0.70 H new ATOM 0 HG3 LYS A 59 17.519 3.903 17.875 1.00 0.70 H new ATOM 0 HD2 LYS A 59 20.093 3.868 17.747 1.00 0.62 H new ATOM 0 HD3 LYS A 59 19.948 4.517 16.126 1.00 0.62 H new ATOM 0 HE2 LYS A 59 18.655 6.473 17.032 1.00 0.63 H new ATOM 0 HE3 LYS A 59 18.822 5.827 18.653 1.00 0.63 H new ATOM 0 HZ1 LYS A 59 20.559 7.446 18.172 1.00 0.94 H new ATOM 0 HZ2 LYS A 59 21.243 5.910 18.406 1.00 0.94 H new ATOM 0 HZ3 LYS A 59 21.081 6.537 16.837 1.00 0.94 H new ATOM 963 N CYS A 60 16.840 -0.371 15.118 1.00 0.79 N ATOM 964 CA CYS A 60 17.113 -1.803 14.831 1.00 0.89 C ATOM 965 C CYS A 60 18.523 -1.926 14.226 1.00 1.05 C ATOM 966 O CYS A 60 18.857 -1.244 13.281 1.00 1.11 O ATOM 967 CB CYS A 60 16.087 -2.295 13.840 1.00 0.92 C ATOM 968 SG CYS A 60 16.536 -3.945 13.316 1.00 1.08 S ATOM 0 H CYS A 60 16.317 0.126 14.397 1.00 0.79 H new ATOM 0 HA CYS A 60 17.057 -2.397 15.743 1.00 0.89 H new ATOM 0 HB2 CYS A 60 15.096 -2.300 14.294 1.00 0.92 H new ATOM 0 HB3 CYS A 60 16.041 -1.626 12.981 1.00 0.92 H new ATOM 0 HG CYS A 60 15.809 -4.289 12.295 1.00 1.08 H new ATOM 973 N GLN A 61 19.367 -2.744 14.805 1.00 1.13 N ATOM 974 CA GLN A 61 20.776 -2.862 14.298 1.00 1.29 C ATOM 975 C GLN A 61 20.928 -4.056 13.357 1.00 1.41 C ATOM 976 O GLN A 61 22.024 -4.451 13.015 1.00 1.55 O ATOM 977 CB GLN A 61 21.747 -3.071 15.464 1.00 1.37 C ATOM 978 CG GLN A 61 21.080 -2.710 16.787 1.00 1.29 C ATOM 979 CD GLN A 61 20.934 -1.193 16.880 1.00 1.29 C ATOM 980 OE1 GLN A 61 21.634 -0.461 16.209 1.00 1.48 O ATOM 981 NE2 GLN A 61 20.046 -0.686 17.686 1.00 1.90 N ATOM 0 H GLN A 61 19.145 -3.336 15.606 1.00 1.13 H new ATOM 0 HA GLN A 61 21.001 -1.938 13.766 1.00 1.29 H new ATOM 0 HB2 GLN A 61 22.077 -4.110 15.488 1.00 1.37 H new ATOM 0 HB3 GLN A 61 22.636 -2.457 15.319 1.00 1.37 H new ATOM 0 HG2 GLN A 61 20.102 -3.186 16.856 1.00 1.29 H new ATOM 0 HG3 GLN A 61 21.675 -3.082 17.621 1.00 1.29 H new ATOM 0 HE21 GLN A 61 19.458 -1.301 18.249 1.00 1.90 H new ATOM 0 HE22 GLN A 61 19.938 0.326 17.754 1.00 1.90 H new ATOM 990 N VAL A 62 19.856 -4.612 12.909 1.00 1.37 N ATOM 991 CA VAL A 62 19.963 -5.746 11.964 1.00 1.49 C ATOM 992 C VAL A 62 20.051 -5.140 10.580 1.00 1.51 C ATOM 993 O VAL A 62 20.734 -5.623 9.693 1.00 1.65 O ATOM 994 CB VAL A 62 18.700 -6.601 12.060 1.00 1.46 C ATOM 995 CG1 VAL A 62 18.778 -7.763 11.061 1.00 1.60 C ATOM 996 CG2 VAL A 62 18.578 -7.154 13.483 1.00 1.46 C ATOM 0 H VAL A 62 18.906 -4.334 13.153 1.00 1.37 H new ATOM 0 HA VAL A 62 20.829 -6.371 12.183 1.00 1.49 H new ATOM 0 HB VAL A 62 17.828 -5.990 11.825 1.00 1.46 H new ATOM 0 HG11 VAL A 62 17.874 -8.368 11.135 1.00 1.60 H new ATOM 0 HG12 VAL A 62 18.868 -7.368 10.049 1.00 1.60 H new ATOM 0 HG13 VAL A 62 19.647 -8.380 11.288 1.00 1.60 H new ATOM 0 HG21 VAL A 62 17.679 -7.765 13.560 1.00 1.46 H new ATOM 0 HG22 VAL A 62 19.452 -7.763 13.713 1.00 1.46 H new ATOM 0 HG23 VAL A 62 18.516 -6.327 14.191 1.00 1.46 H new ATOM 1006 N CYS A 63 19.357 -4.060 10.414 1.00 1.41 N ATOM 1007 CA CYS A 63 19.340 -3.344 9.117 1.00 1.47 C ATOM 1008 C CYS A 63 19.784 -1.898 9.361 1.00 1.40 C ATOM 1009 O CYS A 63 20.391 -1.272 8.513 1.00 1.53 O ATOM 1010 CB CYS A 63 17.909 -3.378 8.597 1.00 1.45 C ATOM 1011 SG CYS A 63 16.843 -2.582 9.809 1.00 1.25 S ATOM 0 H CYS A 63 18.785 -3.631 11.142 1.00 1.41 H new ATOM 0 HA CYS A 63 20.010 -3.804 8.390 1.00 1.47 H new ATOM 0 HB2 CYS A 63 17.842 -2.864 7.638 1.00 1.45 H new ATOM 0 HB3 CYS A 63 17.591 -4.407 8.430 1.00 1.45 H new ATOM 0 HG CYS A 63 15.868 -3.383 10.122 1.00 1.25 H new ATOM 1016 N GLY A 64 19.507 -1.375 10.540 1.00 1.23 N ATOM 1017 CA GLY A 64 19.928 0.018 10.879 1.00 1.17 C ATOM 1018 C GLY A 64 18.748 0.995 10.773 1.00 1.05 C ATOM 1019 O GLY A 64 18.944 2.195 10.717 1.00 1.02 O ATOM 0 H GLY A 64 19.004 -1.862 11.282 1.00 1.23 H new ATOM 0 HA2 GLY A 64 20.334 0.042 11.890 1.00 1.17 H new ATOM 0 HA3 GLY A 64 20.726 0.333 10.207 1.00 1.17 H new ATOM 1023 N LYS A 65 17.526 0.518 10.685 1.00 1.01 N ATOM 1024 CA LYS A 65 16.378 1.464 10.530 1.00 0.95 C ATOM 1025 C LYS A 65 15.704 1.748 11.884 1.00 0.81 C ATOM 1026 O LYS A 65 15.447 0.861 12.679 1.00 0.77 O ATOM 1027 CB LYS A 65 15.388 0.867 9.535 1.00 0.94 C ATOM 1028 CG LYS A 65 14.245 1.845 9.274 1.00 1.15 C ATOM 1029 CD LYS A 65 13.189 1.176 8.384 1.00 1.21 C ATOM 1030 CE LYS A 65 13.508 1.434 6.908 1.00 1.76 C ATOM 1031 NZ LYS A 65 12.705 0.507 6.060 1.00 2.20 N ATOM 0 H LYS A 65 17.279 -0.471 10.714 1.00 1.01 H new ATOM 0 HA LYS A 65 16.742 2.420 10.153 1.00 0.95 H new ATOM 0 HB2 LYS A 65 15.897 0.634 8.600 1.00 0.94 H new ATOM 0 HB3 LYS A 65 14.992 -0.071 9.924 1.00 0.94 H new ATOM 0 HG2 LYS A 65 13.796 2.156 10.217 1.00 1.15 H new ATOM 0 HG3 LYS A 65 14.626 2.745 8.791 1.00 1.15 H new ATOM 0 HD2 LYS A 65 13.165 0.104 8.577 1.00 1.21 H new ATOM 0 HD3 LYS A 65 12.200 1.565 8.624 1.00 1.21 H new ATOM 0 HE2 LYS A 65 13.281 2.469 6.651 1.00 1.76 H new ATOM 0 HE3 LYS A 65 14.572 1.285 6.723 1.00 1.76 H new ATOM 0 HZ1 LYS A 65 12.920 0.680 5.057 1.00 2.20 H new ATOM 0 HZ2 LYS A 65 12.942 -0.477 6.300 1.00 2.20 H new ATOM 0 HZ3 LYS A 65 11.692 0.670 6.230 1.00 2.20 H new ATOM 1045 N ALA A 66 15.470 3.008 12.140 1.00 0.76 N ATOM 1046 CA ALA A 66 14.869 3.449 13.451 1.00 0.65 C ATOM 1047 C ALA A 66 13.326 3.506 13.438 1.00 0.60 C ATOM 1048 O ALA A 66 12.695 3.747 12.428 1.00 0.70 O ATOM 1049 CB ALA A 66 15.403 4.831 13.809 1.00 0.68 C ATOM 0 H ALA A 66 15.670 3.769 11.491 1.00 0.76 H new ATOM 0 HA ALA A 66 15.157 2.701 14.190 1.00 0.65 H new ATOM 0 HB1 ALA A 66 14.971 5.154 14.756 1.00 0.68 H new ATOM 0 HB2 ALA A 66 16.488 4.789 13.901 1.00 0.68 H new ATOM 0 HB3 ALA A 66 15.132 5.540 13.026 1.00 0.68 H new ATOM 1055 N PHE A 67 12.739 3.237 14.588 1.00 0.52 N ATOM 1056 CA PHE A 67 11.247 3.219 14.737 1.00 0.53 C ATOM 1057 C PHE A 67 10.788 4.084 15.921 1.00 0.53 C ATOM 1058 O PHE A 67 11.489 4.262 16.899 1.00 0.51 O ATOM 1059 CB PHE A 67 10.804 1.778 14.994 1.00 0.52 C ATOM 1060 CG PHE A 67 11.228 0.942 13.832 1.00 0.55 C ATOM 1061 CD1 PHE A 67 12.483 0.326 13.835 1.00 0.58 C ATOM 1062 CD2 PHE A 67 10.377 0.810 12.738 1.00 0.65 C ATOM 1063 CE1 PHE A 67 12.889 -0.423 12.729 1.00 0.69 C ATOM 1064 CE2 PHE A 67 10.777 0.055 11.637 1.00 0.74 C ATOM 1065 CZ PHE A 67 12.034 -0.557 11.631 1.00 0.75 C ATOM 0 H PHE A 67 13.247 3.025 15.447 1.00 0.52 H new ATOM 0 HA PHE A 67 10.805 3.618 13.824 1.00 0.53 H new ATOM 0 HB2 PHE A 67 11.250 1.402 15.915 1.00 0.52 H new ATOM 0 HB3 PHE A 67 9.723 1.730 15.121 1.00 0.52 H new ATOM 0 HD1 PHE A 67 13.136 0.429 14.689 1.00 0.58 H new ATOM 0 HD2 PHE A 67 9.410 1.291 12.743 1.00 0.65 H new ATOM 0 HE1 PHE A 67 13.859 -0.897 12.722 1.00 0.69 H new ATOM 0 HE2 PHE A 67 10.117 -0.057 10.790 1.00 0.74 H new ATOM 0 HZ PHE A 67 12.346 -1.136 10.774 1.00 0.75 H new ATOM 1075 N SER A 68 9.600 4.611 15.812 1.00 0.62 N ATOM 1076 CA SER A 68 9.041 5.460 16.896 1.00 0.69 C ATOM 1077 C SER A 68 8.344 4.580 17.935 1.00 0.69 C ATOM 1078 O SER A 68 7.950 5.050 18.986 1.00 0.79 O ATOM 1079 CB SER A 68 8.004 6.422 16.304 1.00 0.82 C ATOM 1080 OG SER A 68 6.765 5.748 16.148 1.00 1.19 O ATOM 0 H SER A 68 8.987 4.487 15.007 1.00 0.62 H new ATOM 0 HA SER A 68 9.852 6.017 17.364 1.00 0.69 H new ATOM 0 HB2 SER A 68 7.880 7.286 16.957 1.00 0.82 H new ATOM 0 HB3 SER A 68 8.349 6.797 15.341 1.00 0.82 H new ATOM 0 HG SER A 68 6.103 6.364 15.771 1.00 1.19 H new ATOM 1086 N GLN A 69 8.154 3.314 17.641 1.00 0.67 N ATOM 1087 CA GLN A 69 7.435 2.430 18.613 1.00 0.73 C ATOM 1088 C GLN A 69 8.189 1.120 18.828 1.00 0.66 C ATOM 1089 O GLN A 69 8.729 0.541 17.901 1.00 0.61 O ATOM 1090 CB GLN A 69 6.059 2.095 18.045 1.00 0.83 C ATOM 1091 CG GLN A 69 5.382 3.382 17.590 1.00 0.97 C ATOM 1092 CD GLN A 69 4.033 3.066 16.950 1.00 1.10 C ATOM 1093 OE1 GLN A 69 3.672 1.918 16.790 1.00 1.75 O ATOM 1094 NE2 GLN A 69 3.269 4.053 16.573 1.00 1.22 N ATOM 0 H GLN A 69 8.462 2.860 16.781 1.00 0.67 H new ATOM 0 HA GLN A 69 7.357 2.957 19.564 1.00 0.73 H new ATOM 0 HB2 GLN A 69 6.156 1.404 17.207 1.00 0.83 H new ATOM 0 HB3 GLN A 69 5.451 1.597 18.800 1.00 0.83 H new ATOM 0 HG2 GLN A 69 5.243 4.049 18.441 1.00 0.97 H new ATOM 0 HG3 GLN A 69 6.019 3.904 16.876 1.00 0.97 H new ATOM 0 HE21 GLN A 69 3.576 5.016 16.709 1.00 1.22 H new ATOM 0 HE22 GLN A 69 2.365 3.862 16.142 1.00 1.22 H new ATOM 1103 N SER A 70 8.192 0.610 20.030 1.00 0.73 N ATOM 1104 CA SER A 70 8.867 -0.684 20.242 1.00 0.73 C ATOM 1105 C SER A 70 8.074 -1.736 19.476 1.00 0.74 C ATOM 1106 O SER A 70 8.632 -2.567 18.818 1.00 0.73 O ATOM 1107 CB SER A 70 8.909 -1.042 21.729 1.00 0.86 C ATOM 1108 OG SER A 70 7.623 -1.475 22.146 1.00 1.12 O ATOM 0 H SER A 70 7.763 1.030 20.855 1.00 0.73 H new ATOM 0 HA SER A 70 9.897 -0.633 19.889 1.00 0.73 H new ATOM 0 HB2 SER A 70 9.644 -1.827 21.905 1.00 0.86 H new ATOM 0 HB3 SER A 70 9.221 -0.177 22.314 1.00 0.86 H new ATOM 0 HG SER A 70 7.648 -1.706 23.098 1.00 1.12 H new ATOM 1114 N SER A 71 6.764 -1.709 19.571 1.00 0.81 N ATOM 1115 CA SER A 71 5.940 -2.721 18.849 1.00 0.84 C ATOM 1116 C SER A 71 6.328 -2.752 17.381 1.00 0.71 C ATOM 1117 O SER A 71 6.448 -3.804 16.791 1.00 0.70 O ATOM 1118 CB SER A 71 4.458 -2.367 18.949 1.00 0.98 C ATOM 1119 OG SER A 71 3.689 -3.432 18.408 1.00 1.41 O ATOM 0 H SER A 71 6.235 -1.029 20.117 1.00 0.81 H new ATOM 0 HA SER A 71 6.118 -3.695 19.305 1.00 0.84 H new ATOM 0 HB2 SER A 71 4.182 -2.194 19.989 1.00 0.98 H new ATOM 0 HB3 SER A 71 4.255 -1.443 18.407 1.00 0.98 H new ATOM 0 HG SER A 71 2.736 -3.212 18.470 1.00 1.41 H new ATOM 1125 N ASN A 72 6.526 -1.623 16.773 1.00 0.66 N ATOM 1126 CA ASN A 72 6.905 -1.659 15.340 1.00 0.59 C ATOM 1127 C ASN A 72 8.327 -2.206 15.244 1.00 0.51 C ATOM 1128 O ASN A 72 8.675 -2.869 14.285 1.00 0.51 O ATOM 1129 CB ASN A 72 6.812 -0.264 14.711 1.00 0.63 C ATOM 1130 CG ASN A 72 5.413 0.317 14.948 1.00 0.80 C ATOM 1131 OD1 ASN A 72 4.656 -0.208 15.738 1.00 1.35 O ATOM 1132 ND2 ASN A 72 5.032 1.378 14.286 1.00 0.75 N ATOM 0 H ASN A 72 6.445 -0.697 17.193 1.00 0.66 H new ATOM 0 HA ASN A 72 6.218 -2.302 14.789 1.00 0.59 H new ATOM 0 HB2 ASN A 72 7.567 0.392 15.144 1.00 0.63 H new ATOM 0 HB3 ASN A 72 7.016 -0.322 13.642 1.00 0.63 H new ATOM 0 HD21 ASN A 72 4.099 1.764 14.434 1.00 0.75 H new ATOM 0 HD22 ASN A 72 5.667 1.820 13.622 1.00 0.75 H new ATOM 1139 N LEU A 73 9.137 -1.971 16.244 1.00 0.50 N ATOM 1140 CA LEU A 73 10.517 -2.526 16.218 1.00 0.52 C ATOM 1141 C LEU A 73 10.425 -4.029 16.480 1.00 0.60 C ATOM 1142 O LEU A 73 11.093 -4.809 15.841 1.00 0.66 O ATOM 1143 CB LEU A 73 11.390 -1.854 17.286 1.00 0.56 C ATOM 1144 CG LEU A 73 12.699 -2.634 17.456 1.00 0.65 C ATOM 1145 CD1 LEU A 73 13.449 -2.671 16.129 1.00 0.64 C ATOM 1146 CD2 LEU A 73 13.573 -1.947 18.508 1.00 0.74 C ATOM 0 H LEU A 73 8.902 -1.422 17.071 1.00 0.50 H new ATOM 0 HA LEU A 73 10.976 -2.337 15.248 1.00 0.52 H new ATOM 0 HB2 LEU A 73 11.604 -0.825 16.998 1.00 0.56 H new ATOM 0 HB3 LEU A 73 10.854 -1.815 18.234 1.00 0.56 H new ATOM 0 HG LEU A 73 12.471 -3.651 17.776 1.00 0.65 H new ATOM 0 HD11 LEU A 73 14.379 -3.226 16.252 1.00 0.64 H new ATOM 0 HD12 LEU A 73 12.832 -3.160 15.376 1.00 0.64 H new ATOM 0 HD13 LEU A 73 13.673 -1.653 15.809 1.00 0.64 H new ATOM 0 HD21 LEU A 73 14.503 -2.503 18.628 1.00 0.74 H new ATOM 0 HD22 LEU A 73 13.797 -0.930 18.187 1.00 0.74 H new ATOM 0 HD23 LEU A 73 13.042 -1.919 19.460 1.00 0.74 H new ATOM 1158 N ILE A 74 9.604 -4.452 17.408 1.00 0.66 N ATOM 1159 CA ILE A 74 9.467 -5.901 17.690 1.00 0.76 C ATOM 1160 C ILE A 74 8.999 -6.614 16.425 1.00 0.71 C ATOM 1161 O ILE A 74 9.614 -7.556 15.987 1.00 0.77 O ATOM 1162 CB ILE A 74 8.437 -6.070 18.825 1.00 0.86 C ATOM 1163 CG1 ILE A 74 9.028 -5.504 20.130 1.00 0.96 C ATOM 1164 CG2 ILE A 74 8.100 -7.550 19.022 1.00 0.95 C ATOM 1165 CD1 ILE A 74 7.961 -5.487 21.235 1.00 1.11 C ATOM 0 H ILE A 74 9.021 -3.845 17.984 1.00 0.66 H new ATOM 0 HA ILE A 74 10.420 -6.333 17.996 1.00 0.76 H new ATOM 0 HB ILE A 74 7.526 -5.533 18.562 1.00 0.86 H new ATOM 0 HG12 ILE A 74 9.878 -6.109 20.445 1.00 0.96 H new ATOM 0 HG13 ILE A 74 9.402 -4.494 19.960 1.00 0.96 H new ATOM 0 HG21 ILE A 74 7.372 -7.653 19.826 1.00 0.95 H new ATOM 0 HG22 ILE A 74 7.682 -7.954 18.100 1.00 0.95 H new ATOM 0 HG23 ILE A 74 9.006 -8.098 19.280 1.00 0.95 H new ATOM 0 HD11 ILE A 74 8.393 -5.085 22.151 1.00 1.11 H new ATOM 0 HD12 ILE A 74 7.124 -4.862 20.923 1.00 1.11 H new ATOM 0 HD13 ILE A 74 7.608 -6.502 21.416 1.00 1.11 H new ATOM 1177 N THR A 75 7.921 -6.177 15.828 1.00 0.63 N ATOM 1178 CA THR A 75 7.442 -6.858 14.590 1.00 0.61 C ATOM 1179 C THR A 75 8.495 -6.687 13.497 1.00 0.59 C ATOM 1180 O THR A 75 8.914 -7.623 12.845 1.00 0.65 O ATOM 1181 CB THR A 75 6.098 -6.241 14.160 1.00 0.61 C ATOM 1182 OG1 THR A 75 5.069 -6.786 14.972 1.00 0.80 O ATOM 1183 CG2 THR A 75 5.793 -6.571 12.697 1.00 0.82 C ATOM 0 H THR A 75 7.357 -5.386 16.140 1.00 0.63 H new ATOM 0 HA THR A 75 7.291 -7.922 14.771 1.00 0.61 H new ATOM 0 HB THR A 75 6.154 -5.158 14.273 1.00 0.61 H new ATOM 0 HG1 THR A 75 4.207 -6.400 14.710 1.00 0.80 H new ATOM 0 HG21 THR A 75 4.839 -6.125 12.415 1.00 0.82 H new ATOM 0 HG22 THR A 75 6.583 -6.171 12.061 1.00 0.82 H new ATOM 0 HG23 THR A 75 5.739 -7.652 12.571 1.00 0.82 H new ATOM 1191 N HIS A 76 8.949 -5.483 13.301 1.00 0.57 N ATOM 1192 CA HIS A 76 9.982 -5.248 12.277 1.00 0.63 C ATOM 1193 C HIS A 76 11.140 -6.247 12.532 1.00 0.73 C ATOM 1194 O HIS A 76 11.662 -6.924 11.631 1.00 0.82 O ATOM 1195 CB HIS A 76 10.447 -3.791 12.421 1.00 0.62 C ATOM 1196 CG HIS A 76 11.768 -3.634 11.773 1.00 0.73 C ATOM 1197 ND1 HIS A 76 11.909 -3.159 10.466 1.00 0.82 N ATOM 1198 CD2 HIS A 76 13.015 -3.985 12.192 1.00 0.81 C ATOM 1199 CE1 HIS A 76 13.209 -3.260 10.147 1.00 0.94 C ATOM 1200 NE2 HIS A 76 13.884 -3.747 11.166 1.00 0.93 N ATOM 0 H HIS A 76 8.644 -4.654 13.811 1.00 0.57 H new ATOM 0 HA HIS A 76 9.611 -5.402 11.264 1.00 0.63 H new ATOM 0 HB2 HIS A 76 9.722 -3.119 11.963 1.00 0.62 H new ATOM 0 HB3 HIS A 76 10.511 -3.520 13.475 1.00 0.62 H new ATOM 0 HD1 HIS A 76 11.164 -2.803 9.867 1.00 0.82 H new ATOM 0 HD2 HIS A 76 13.271 -4.381 13.163 1.00 0.81 H new ATOM 0 HE1 HIS A 76 13.637 -2.983 9.195 1.00 0.94 H new ATOM 1208 N SER A 77 11.535 -6.372 13.771 1.00 0.75 N ATOM 1209 CA SER A 77 12.616 -7.331 14.102 1.00 0.89 C ATOM 1210 C SER A 77 12.093 -8.743 13.862 1.00 0.96 C ATOM 1211 O SER A 77 12.808 -9.611 13.411 1.00 1.09 O ATOM 1212 CB SER A 77 13.007 -7.188 15.568 1.00 0.94 C ATOM 1213 OG SER A 77 14.018 -8.138 15.865 1.00 1.21 O ATOM 0 H SER A 77 11.155 -5.852 14.562 1.00 0.75 H new ATOM 0 HA SER A 77 13.489 -7.133 13.480 1.00 0.89 H new ATOM 0 HB2 SER A 77 13.367 -6.179 15.766 1.00 0.94 H new ATOM 0 HB3 SER A 77 12.139 -7.348 16.208 1.00 0.94 H new ATOM 0 HG SER A 77 14.279 -8.055 16.806 1.00 1.21 H new ATOM 1219 N ARG A 78 10.831 -8.970 14.137 1.00 0.88 N ATOM 1220 CA ARG A 78 10.265 -10.320 13.897 1.00 0.94 C ATOM 1221 C ARG A 78 10.520 -10.655 12.438 1.00 0.94 C ATOM 1222 O ARG A 78 10.792 -11.781 12.086 1.00 1.04 O ATOM 1223 CB ARG A 78 8.753 -10.351 14.174 1.00 0.88 C ATOM 1224 CG ARG A 78 8.483 -10.327 15.692 1.00 1.04 C ATOM 1225 CD ARG A 78 8.327 -11.758 16.234 1.00 1.08 C ATOM 1226 NE ARG A 78 6.875 -12.107 16.313 1.00 1.28 N ATOM 1227 CZ ARG A 78 6.483 -13.088 17.083 1.00 1.63 C ATOM 1228 NH1 ARG A 78 7.357 -13.753 17.786 1.00 2.05 N ATOM 1229 NH2 ARG A 78 5.217 -13.402 17.152 1.00 2.36 N ATOM 0 H ARG A 78 10.179 -8.281 14.514 1.00 0.88 H new ATOM 0 HA ARG A 78 10.734 -11.043 14.565 1.00 0.94 H new ATOM 0 HB2 ARG A 78 8.272 -9.495 13.699 1.00 0.88 H new ATOM 0 HB3 ARG A 78 8.315 -11.247 13.735 1.00 0.88 H new ATOM 0 HG2 ARG A 78 9.303 -9.825 16.205 1.00 1.04 H new ATOM 0 HG3 ARG A 78 7.579 -9.753 15.898 1.00 1.04 H new ATOM 0 HD2 ARG A 78 8.846 -12.463 15.584 1.00 1.08 H new ATOM 0 HD3 ARG A 78 8.785 -11.837 17.220 1.00 1.08 H new ATOM 0 HE ARG A 78 6.192 -11.581 15.768 1.00 1.28 H new ATOM 0 HH11 ARG A 78 8.346 -13.508 17.735 1.00 2.05 H new ATOM 0 HH12 ARG A 78 7.052 -14.519 18.387 1.00 2.05 H new ATOM 0 HH21 ARG A 78 4.532 -12.881 16.604 1.00 2.36 H new ATOM 0 HH22 ARG A 78 4.914 -14.168 17.753 1.00 2.36 H new ATOM 1243 N LYS A 79 10.464 -9.678 11.572 1.00 0.86 N ATOM 1244 CA LYS A 79 10.735 -9.987 10.152 1.00 0.93 C ATOM 1245 C LYS A 79 12.181 -10.456 10.038 1.00 1.08 C ATOM 1246 O LYS A 79 12.452 -11.449 9.389 1.00 1.19 O ATOM 1247 CB LYS A 79 10.473 -8.770 9.248 1.00 0.89 C ATOM 1248 CG LYS A 79 9.173 -8.984 8.449 1.00 0.85 C ATOM 1249 CD LYS A 79 7.973 -8.846 9.387 1.00 0.86 C ATOM 1250 CE LYS A 79 6.672 -9.042 8.600 1.00 0.90 C ATOM 1251 NZ LYS A 79 6.743 -10.311 7.823 1.00 1.09 N ATOM 0 H LYS A 79 10.247 -8.704 11.785 1.00 0.86 H new ATOM 0 HA LYS A 79 10.060 -10.773 9.814 1.00 0.93 H new ATOM 0 HB2 LYS A 79 10.395 -7.866 9.853 1.00 0.89 H new ATOM 0 HB3 LYS A 79 11.311 -8.625 8.566 1.00 0.89 H new ATOM 0 HG2 LYS A 79 9.104 -8.254 7.642 1.00 0.85 H new ATOM 0 HG3 LYS A 79 9.176 -9.971 7.986 1.00 0.85 H new ATOM 0 HD2 LYS A 79 8.039 -9.583 10.187 1.00 0.86 H new ATOM 0 HD3 LYS A 79 7.979 -7.863 9.858 1.00 0.86 H new ATOM 0 HE2 LYS A 79 5.823 -9.069 9.283 1.00 0.90 H new ATOM 0 HE3 LYS A 79 6.512 -8.200 7.926 1.00 0.90 H new ATOM 0 HZ1 LYS A 79 5.790 -10.573 7.499 1.00 1.09 H new ATOM 0 HZ2 LYS A 79 7.365 -10.180 7.000 1.00 1.09 H new ATOM 0 HZ3 LYS A 79 7.123 -11.067 8.427 1.00 1.09 H new ATOM 1265 N HIS A 80 13.122 -9.806 10.673 1.00 1.12 N ATOM 1266 CA HIS A 80 14.513 -10.361 10.544 1.00 1.29 C ATOM 1267 C HIS A 80 14.500 -11.808 11.036 1.00 1.37 C ATOM 1268 O HIS A 80 14.783 -12.731 10.299 1.00 1.50 O ATOM 1269 CB HIS A 80 15.539 -9.618 11.392 1.00 1.34 C ATOM 1270 CG HIS A 80 15.718 -8.221 10.900 1.00 1.30 C ATOM 1271 ND1 HIS A 80 15.969 -7.898 9.558 1.00 1.42 N ATOM 1272 CD2 HIS A 80 15.648 -7.041 11.561 1.00 1.19 C ATOM 1273 CE1 HIS A 80 16.024 -6.548 9.471 1.00 1.37 C ATOM 1274 NE2 HIS A 80 15.846 -6.020 10.667 1.00 1.23 N ATOM 0 H HIS A 80 13.008 -8.967 11.242 1.00 1.12 H new ATOM 0 HA HIS A 80 14.797 -10.263 9.496 1.00 1.29 H new ATOM 0 HB2 HIS A 80 15.216 -9.604 12.433 1.00 1.34 H new ATOM 0 HB3 HIS A 80 16.493 -10.144 11.362 1.00 1.34 H new ATOM 0 HD1 HIS A 80 16.088 -8.558 8.790 1.00 1.42 H new ATOM 0 HD2 HIS A 80 15.466 -6.923 12.619 1.00 1.19 H new ATOM 0 HE1 HIS A 80 16.188 -5.989 8.562 1.00 1.37 H new ATOM 1282 N THR A 81 14.187 -12.007 12.299 1.00 1.33 N ATOM 1283 CA THR A 81 14.174 -13.393 12.858 1.00 1.42 C ATOM 1284 C THR A 81 12.868 -14.088 12.470 1.00 1.43 C ATOM 1285 O THR A 81 12.450 -15.040 13.101 1.00 1.50 O ATOM 1286 CB THR A 81 14.284 -13.351 14.390 1.00 1.43 C ATOM 1287 OG1 THR A 81 13.072 -12.845 14.937 1.00 1.48 O ATOM 1288 CG2 THR A 81 15.449 -12.452 14.814 1.00 1.56 C ATOM 0 H THR A 81 13.942 -11.270 12.960 1.00 1.33 H new ATOM 0 HA THR A 81 15.024 -13.942 12.452 1.00 1.42 H new ATOM 0 HB THR A 81 14.463 -14.360 14.760 1.00 1.43 H new ATOM 0 HG1 THR A 81 13.140 -12.819 15.914 1.00 1.48 H new ATOM 0 HG21 THR A 81 15.515 -12.431 15.902 1.00 1.56 H new ATOM 0 HG22 THR A 81 16.379 -12.843 14.401 1.00 1.56 H new ATOM 0 HG23 THR A 81 15.283 -11.441 14.441 1.00 1.56 H new ATOM 1296 N GLY A 82 12.218 -13.622 11.439 1.00 1.42 N ATOM 1297 CA GLY A 82 10.935 -14.251 11.002 1.00 1.48 C ATOM 1298 C GLY A 82 10.100 -14.630 12.227 1.00 2.60 C ATOM 0 H GLY A 82 12.521 -12.827 10.876 1.00 1.42 H new ATOM 0 HA2 GLY A 82 10.377 -13.560 10.370 1.00 1.48 H new ATOM 0 HA3 GLY A 82 11.140 -15.137 10.402 1.00 1.48 H new