USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 755 hydrogens (62 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 2 GLN : amide:sc= -0.616 K(o=1.9,f=-4) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 144:sc= 2.5 (180deg=-0.673) USER MOD Set 2.1: A 33 GLN : amide:sc= -6.21! C(o=-5.2!,f=-6.2!) USER MOD Set 2.2: A 64 THR OG1 : rot 77:sc= 1.06 USER MOD Set 3.1: A 32 LYS NZ :NH3+ -123:sc= -2.45! (180deg=-4.34!) USER MOD Set 3.2: A 87 COA O2B : rot -131:sc= 1.23 USER MOD Set 4.1: A 29 SER OG : rot -56:sc= 1.06 USER MOD Set 4.2: A 30 HIS : no HE2:sc= -1.62 K(o=-0.55,f=-11!) USER MOD Single : A 1 SER N :NH3+ 156:sc= -0.655 (180deg=-1.68!) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0782 USER MOD Single : A 7 LYS NZ :NH3+ -130:sc= 0.487 (180deg=-3.11!) USER MOD Single : A 13 LYS NZ :NH3+ -116:sc= -0.359 (180deg=-2.26!) USER MOD Single : A 14 HIS : no HE2:sc= -1.08! C(o=-1.1!,f=-5.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 153:sc= 1.14 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -120:sc= -0.449 (180deg=-1.36) USER MOD Single : A 28 TYR OH : rot -4:sc= 1.09 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -81:sc= 0.885 USER MOD Single : A 40 ASN : amide:sc= 0.503 K(o=0.5,f=-5.2!) USER MOD Single : A 41 THR OG1 : rot 153:sc= 0.882 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= -0.0277 (180deg=-0.385) USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= 2.27 (180deg=1.43) USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.301) USER MOD Single : A 59 ASN : amide:sc= -0.428 K(o=-0.43,f=-4.9!) USER MOD Single : A 62 LYS NZ :NH3+ -120:sc= 1.21 (180deg=-0.385) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -144:sc=-0.00342 (180deg=-0.124) USER MOD Single : A 70 MET CE :methyl 144:sc= -0.969 (180deg=-2.55!) USER MOD Single : A 73 TYR OH : rot 24:sc= -0.29! USER MOD Single : A 76 LYS NZ :NH3+ -125:sc= 0.488 (180deg=-1.7!) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 1.08 (180deg=0.808) USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= -1.11 (180deg=-1.41) USER MOD Single : A 83 LYS NZ :NH3+ -122:sc= 1.19 (180deg=-1.69!) USER MOD Single : A 84 TYR OH : rot -4:sc= 0.823 USER MOD Single : A 87 COA OAP : rot 91:sc= -5.18! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.867 6.437 -6.381 1.00 5.26 N ATOM 2 CA SER A 1 3.367 6.475 -6.215 1.00 2.90 C ATOM 3 C SER A 1 2.766 5.311 -5.417 1.00 2.15 C ATOM 4 O SER A 1 1.893 5.557 -4.608 1.00 1.84 O ATOM 5 CB SER A 1 2.693 6.513 -7.596 1.00 2.86 C ATOM 6 OG SER A 1 3.334 7.647 -8.172 1.00 4.06 O ATOM 0 H1 SER A 1 5.137 6.982 -7.225 1.00 5.26 H new ATOM 0 H2 SER A 1 5.320 6.852 -5.542 1.00 5.26 H new ATOM 0 H3 SER A 1 5.179 5.451 -6.491 1.00 5.26 H new ATOM 0 HA SER A 1 3.173 7.377 -5.635 1.00 2.90 H new ATOM 0 HB2 SER A 1 2.871 5.602 -8.168 1.00 2.86 H new ATOM 0 HB3 SER A 1 1.613 6.640 -7.526 1.00 2.86 H new ATOM 0 HG SER A 1 2.992 7.791 -9.079 1.00 4.06 H new ATOM 14 N GLN A 2 3.208 4.092 -5.641 1.00 1.91 N ATOM 15 CA GLN A 2 2.660 2.914 -4.867 1.00 1.31 C ATOM 16 C GLN A 2 3.640 2.956 -3.695 1.00 0.97 C ATOM 17 O GLN A 2 4.434 2.053 -3.518 1.00 0.76 O ATOM 18 CB GLN A 2 2.837 1.575 -5.648 1.00 1.31 C ATOM 19 CG GLN A 2 2.294 0.365 -4.763 1.00 1.08 C ATOM 20 CD GLN A 2 3.219 -0.862 -4.786 1.00 0.79 C ATOM 21 OE1 GLN A 2 2.961 -1.922 -5.316 1.00 0.65 O ATOM 22 NE2 GLN A 2 4.363 -0.785 -4.199 1.00 0.88 N ATOM 0 H GLN A 2 3.926 3.857 -6.327 1.00 1.91 H new ATOM 0 HA GLN A 2 1.597 2.963 -4.633 1.00 1.31 H new ATOM 0 HB2 GLN A 2 2.296 1.619 -6.593 1.00 1.31 H new ATOM 0 HB3 GLN A 2 3.888 1.419 -5.890 1.00 1.31 H new ATOM 0 HG2 GLN A 2 2.173 0.702 -3.733 1.00 1.08 H new ATOM 0 HG3 GLN A 2 1.307 0.075 -5.122 1.00 1.08 H new ATOM 0 HE21 GLN A 2 4.641 0.079 -3.734 1.00 0.88 H new ATOM 0 HE22 GLN A 2 4.991 -1.588 -4.199 1.00 0.88 H new ATOM 31 N ALA A 3 3.492 4.031 -2.961 1.00 0.94 N ATOM 32 CA ALA A 3 4.302 4.392 -1.758 1.00 0.75 C ATOM 33 C ALA A 3 5.138 3.235 -1.172 1.00 0.47 C ATOM 34 O ALA A 3 6.302 3.404 -0.875 1.00 0.46 O ATOM 35 CB ALA A 3 3.296 4.957 -0.747 1.00 0.54 C ATOM 0 H ALA A 3 2.779 4.729 -3.171 1.00 0.94 H new ATOM 0 HA ALA A 3 5.067 5.119 -2.031 1.00 0.75 H new ATOM 0 HB1 ALA A 3 3.819 5.245 0.165 1.00 0.54 H new ATOM 0 HB2 ALA A 3 2.803 5.831 -1.174 1.00 0.54 H new ATOM 0 HB3 ALA A 3 2.550 4.198 -0.513 1.00 0.54 H new ATOM 41 N GLU A 4 4.514 2.099 -1.074 1.00 0.39 N ATOM 42 CA GLU A 4 5.147 0.874 -0.525 1.00 0.28 C ATOM 43 C GLU A 4 6.593 0.670 -1.000 1.00 0.26 C ATOM 44 O GLU A 4 7.504 0.349 -0.257 1.00 0.50 O ATOM 45 CB GLU A 4 4.226 -0.282 -0.917 1.00 0.57 C ATOM 46 CG GLU A 4 3.625 -0.900 0.385 1.00 0.22 C ATOM 47 CD GLU A 4 4.754 -1.324 1.336 1.00 2.33 C ATOM 48 OE1 GLU A 4 5.636 -2.036 0.904 1.00 3.26 O ATOM 49 OE2 GLU A 4 4.743 -0.926 2.485 1.00 3.16 O ATOM 0 H GLU A 4 3.546 1.966 -1.366 1.00 0.39 H new ATOM 0 HA GLU A 4 5.248 0.947 0.558 1.00 0.28 H new ATOM 0 HB2 GLU A 4 3.429 0.073 -1.570 1.00 0.57 H new ATOM 0 HB3 GLU A 4 4.782 -1.037 -1.473 1.00 0.57 H new ATOM 0 HG2 GLU A 4 2.978 -0.174 0.877 1.00 0.22 H new ATOM 0 HG3 GLU A 4 3.006 -1.762 0.136 1.00 0.22 H new ATOM 56 N PHE A 5 6.643 0.929 -2.263 1.00 0.33 N ATOM 57 CA PHE A 5 7.817 0.864 -3.168 1.00 0.38 C ATOM 58 C PHE A 5 8.738 2.079 -3.135 1.00 0.34 C ATOM 59 O PHE A 5 9.940 1.948 -3.216 1.00 0.28 O ATOM 60 CB PHE A 5 7.199 0.652 -4.494 1.00 0.36 C ATOM 61 CG PHE A 5 8.187 1.021 -5.616 1.00 0.32 C ATOM 62 CD1 PHE A 5 9.142 0.135 -6.074 1.00 2.57 C ATOM 63 CD2 PHE A 5 8.122 2.284 -6.165 1.00 2.20 C ATOM 64 CE1 PHE A 5 10.026 0.501 -7.075 1.00 2.63 C ATOM 65 CE2 PHE A 5 9.001 2.659 -7.161 1.00 2.14 C ATOM 66 CZ PHE A 5 9.952 1.770 -7.617 1.00 0.28 C ATOM 0 H PHE A 5 5.805 1.221 -2.765 1.00 0.33 H new ATOM 0 HA PHE A 5 8.504 0.073 -2.867 1.00 0.38 H new ATOM 0 HB2 PHE A 5 6.895 -0.390 -4.597 1.00 0.36 H new ATOM 0 HB3 PHE A 5 6.297 1.258 -4.582 1.00 0.36 H new ATOM 0 HD1 PHE A 5 9.200 -0.855 -5.646 1.00 2.57 H new ATOM 0 HD2 PHE A 5 7.379 2.984 -5.814 1.00 2.20 H new ATOM 0 HE1 PHE A 5 10.767 -0.200 -7.429 1.00 2.63 H new ATOM 0 HE2 PHE A 5 8.944 3.651 -7.584 1.00 2.14 H new ATOM 0 HZ PHE A 5 10.638 2.065 -8.397 1.00 0.28 H new ATOM 76 N ASP A 6 8.148 3.229 -3.027 1.00 0.64 N ATOM 77 CA ASP A 6 8.927 4.494 -2.979 1.00 0.73 C ATOM 78 C ASP A 6 9.792 4.386 -1.679 1.00 0.78 C ATOM 79 O ASP A 6 10.991 4.595 -1.570 1.00 0.95 O ATOM 80 CB ASP A 6 7.800 5.526 -2.999 1.00 0.85 C ATOM 81 CG ASP A 6 6.924 5.433 -4.263 1.00 0.94 C ATOM 82 OD1 ASP A 6 7.242 6.039 -5.260 1.00 2.79 O ATOM 83 OD2 ASP A 6 5.921 4.742 -4.228 1.00 1.77 O ATOM 0 H ASP A 6 7.137 3.351 -2.969 1.00 0.64 H new ATOM 0 HA ASP A 6 9.639 4.740 -3.767 1.00 0.73 H new ATOM 0 HB2 ASP A 6 7.173 5.389 -2.118 1.00 0.85 H new ATOM 0 HB3 ASP A 6 8.229 6.526 -2.933 1.00 0.85 H new ATOM 88 N LYS A 7 9.012 3.998 -0.716 1.00 0.61 N ATOM 89 CA LYS A 7 9.440 3.762 0.684 1.00 0.78 C ATOM 90 C LYS A 7 10.630 2.806 0.614 1.00 0.69 C ATOM 91 O LYS A 7 11.656 3.024 1.214 1.00 0.83 O ATOM 92 CB LYS A 7 8.222 3.143 1.407 1.00 0.93 C ATOM 93 CG LYS A 7 8.600 2.122 2.523 1.00 2.14 C ATOM 94 CD LYS A 7 7.275 1.563 3.138 1.00 3.03 C ATOM 95 CE LYS A 7 7.432 0.095 3.581 1.00 4.66 C ATOM 96 NZ LYS A 7 7.573 -0.736 2.337 1.00 6.74 N ATOM 0 H LYS A 7 8.018 3.823 -0.860 1.00 0.61 H new ATOM 0 HA LYS A 7 9.748 4.658 1.224 1.00 0.78 H new ATOM 0 HB2 LYS A 7 7.628 3.944 1.847 1.00 0.93 H new ATOM 0 HB3 LYS A 7 7.590 2.645 0.672 1.00 0.93 H new ATOM 0 HG2 LYS A 7 9.200 1.311 2.110 1.00 2.14 H new ATOM 0 HG3 LYS A 7 9.203 2.605 3.292 1.00 2.14 H new ATOM 0 HD2 LYS A 7 6.984 2.173 3.993 1.00 3.03 H new ATOM 0 HD3 LYS A 7 6.472 1.639 2.405 1.00 3.03 H new ATOM 0 HE2 LYS A 7 8.306 -0.021 4.222 1.00 4.66 H new ATOM 0 HE3 LYS A 7 6.567 -0.226 4.161 1.00 4.66 H new ATOM 0 HZ1 LYS A 7 6.909 -1.535 2.376 1.00 6.74 H new ATOM 0 HZ2 LYS A 7 7.362 -0.151 1.503 1.00 6.74 H new ATOM 0 HZ3 LYS A 7 8.546 -1.097 2.269 1.00 6.74 H new ATOM 110 N ALA A 8 10.449 1.781 -0.176 1.00 0.42 N ATOM 111 CA ALA A 8 11.523 0.758 -0.327 1.00 0.36 C ATOM 112 C ALA A 8 12.684 1.465 -1.041 1.00 0.33 C ATOM 113 O ALA A 8 13.797 1.418 -0.569 1.00 0.21 O ATOM 114 CB ALA A 8 10.920 -0.432 -1.127 1.00 0.33 C ATOM 0 H ALA A 8 9.605 1.609 -0.722 1.00 0.42 H new ATOM 0 HA ALA A 8 11.899 0.350 0.611 1.00 0.36 H new ATOM 0 HB1 ALA A 8 11.679 -1.204 -1.258 1.00 0.33 H new ATOM 0 HB2 ALA A 8 10.072 -0.846 -0.580 1.00 0.33 H new ATOM 0 HB3 ALA A 8 10.586 -0.082 -2.104 1.00 0.33 H new ATOM 120 N ALA A 9 12.452 2.111 -2.151 1.00 0.51 N ATOM 121 CA ALA A 9 13.567 2.807 -2.844 1.00 0.54 C ATOM 122 C ALA A 9 14.420 3.615 -1.853 1.00 0.59 C ATOM 123 O ALA A 9 15.615 3.387 -1.762 1.00 0.72 O ATOM 124 CB ALA A 9 12.915 3.681 -3.918 1.00 0.54 C ATOM 0 H ALA A 9 11.541 2.186 -2.605 1.00 0.51 H new ATOM 0 HA ALA A 9 14.262 2.104 -3.302 1.00 0.54 H new ATOM 0 HB1 ALA A 9 13.687 4.221 -4.465 1.00 0.54 H new ATOM 0 HB2 ALA A 9 12.354 3.051 -4.609 1.00 0.54 H new ATOM 0 HB3 ALA A 9 12.239 4.394 -3.446 1.00 0.54 H new ATOM 130 N GLU A 10 13.807 4.514 -1.123 1.00 0.54 N ATOM 131 CA GLU A 10 14.612 5.322 -0.149 1.00 0.64 C ATOM 132 C GLU A 10 15.297 4.313 0.768 1.00 0.55 C ATOM 133 O GLU A 10 16.492 4.401 0.983 1.00 0.60 O ATOM 134 CB GLU A 10 13.662 6.263 0.610 1.00 0.70 C ATOM 135 CG GLU A 10 13.237 7.366 -0.432 1.00 1.28 C ATOM 136 CD GLU A 10 12.454 8.556 0.128 1.00 1.84 C ATOM 137 OE1 GLU A 10 12.525 8.791 1.321 1.00 2.41 O ATOM 138 OE2 GLU A 10 11.829 9.172 -0.724 1.00 2.14 O ATOM 0 H GLU A 10 12.809 4.722 -1.155 1.00 0.54 H new ATOM 0 HA GLU A 10 15.366 5.950 -0.624 1.00 0.64 H new ATOM 0 HB2 GLU A 10 12.793 5.723 0.986 1.00 0.70 H new ATOM 0 HB3 GLU A 10 14.158 6.709 1.472 1.00 0.70 H new ATOM 0 HG2 GLU A 10 14.137 7.745 -0.917 1.00 1.28 H new ATOM 0 HG3 GLU A 10 12.634 6.892 -1.206 1.00 1.28 H new ATOM 145 N GLU A 11 14.565 3.371 1.288 1.00 0.50 N ATOM 146 CA GLU A 11 15.243 2.372 2.181 1.00 0.46 C ATOM 147 C GLU A 11 16.484 1.731 1.505 1.00 0.49 C ATOM 148 O GLU A 11 17.529 1.653 2.117 1.00 0.67 O ATOM 149 CB GLU A 11 14.243 1.291 2.556 1.00 0.52 C ATOM 150 CG GLU A 11 13.227 1.964 3.521 1.00 0.62 C ATOM 151 CD GLU A 11 13.164 1.287 4.900 1.00 0.85 C ATOM 152 OE1 GLU A 11 12.759 0.126 4.921 1.00 2.79 O ATOM 153 OE2 GLU A 11 13.523 1.973 5.844 1.00 0.97 O ATOM 0 H GLU A 11 13.563 3.243 1.146 1.00 0.50 H new ATOM 0 HA GLU A 11 15.595 2.894 3.071 1.00 0.46 H new ATOM 0 HB2 GLU A 11 13.741 0.900 1.671 1.00 0.52 H new ATOM 0 HB3 GLU A 11 14.740 0.449 3.038 1.00 0.52 H new ATOM 0 HG2 GLU A 11 13.497 3.012 3.650 1.00 0.62 H new ATOM 0 HG3 GLU A 11 12.236 1.943 3.067 1.00 0.62 H new ATOM 160 N VAL A 12 16.377 1.317 0.260 1.00 0.34 N ATOM 161 CA VAL A 12 17.544 0.670 -0.459 1.00 0.40 C ATOM 162 C VAL A 12 18.666 1.707 -0.511 1.00 0.42 C ATOM 163 O VAL A 12 19.827 1.451 -0.256 1.00 0.40 O ATOM 164 CB VAL A 12 17.089 0.231 -1.895 1.00 0.39 C ATOM 165 CG1 VAL A 12 17.483 1.180 -3.047 1.00 0.53 C ATOM 166 CG2 VAL A 12 17.733 -1.119 -2.192 1.00 0.39 C ATOM 0 H VAL A 12 15.527 1.397 -0.298 1.00 0.34 H new ATOM 0 HA VAL A 12 17.897 -0.224 0.055 1.00 0.40 H new ATOM 0 HB VAL A 12 15.999 0.221 -1.866 1.00 0.39 H new ATOM 0 HG11 VAL A 12 17.117 0.777 -3.991 1.00 0.53 H new ATOM 0 HG12 VAL A 12 17.042 2.162 -2.876 1.00 0.53 H new ATOM 0 HG13 VAL A 12 18.568 1.272 -3.088 1.00 0.53 H new ATOM 0 HG21 VAL A 12 17.436 -1.453 -3.186 1.00 0.39 H new ATOM 0 HG22 VAL A 12 18.818 -1.021 -2.151 1.00 0.39 H new ATOM 0 HG23 VAL A 12 17.406 -1.849 -1.451 1.00 0.39 H new ATOM 176 N LYS A 13 18.265 2.897 -0.863 1.00 0.43 N ATOM 177 CA LYS A 13 19.193 4.037 -0.953 1.00 0.40 C ATOM 178 C LYS A 13 19.849 4.202 0.428 1.00 0.57 C ATOM 179 O LYS A 13 20.961 4.663 0.544 1.00 0.81 O ATOM 180 CB LYS A 13 18.354 5.241 -1.350 1.00 0.44 C ATOM 181 CG LYS A 13 17.794 5.107 -2.784 1.00 0.48 C ATOM 182 CD LYS A 13 18.184 6.324 -3.646 1.00 0.91 C ATOM 183 CE LYS A 13 17.673 7.626 -3.047 1.00 1.30 C ATOM 184 NZ LYS A 13 18.852 8.323 -2.469 1.00 2.03 N ATOM 0 H LYS A 13 17.299 3.124 -1.098 1.00 0.43 H new ATOM 0 HA LYS A 13 19.988 3.905 -1.687 1.00 0.40 H new ATOM 0 HB2 LYS A 13 17.529 5.356 -0.647 1.00 0.44 H new ATOM 0 HB3 LYS A 13 18.960 6.144 -1.280 1.00 0.44 H new ATOM 0 HG2 LYS A 13 18.175 4.195 -3.243 1.00 0.48 H new ATOM 0 HG3 LYS A 13 16.708 5.016 -2.747 1.00 0.48 H new ATOM 0 HD2 LYS A 13 19.269 6.369 -3.742 1.00 0.91 H new ATOM 0 HD3 LYS A 13 17.780 6.203 -4.651 1.00 0.91 H new ATOM 0 HE2 LYS A 13 17.195 8.241 -3.809 1.00 1.30 H new ATOM 0 HE3 LYS A 13 16.924 7.431 -2.279 1.00 1.30 H new ATOM 0 HZ1 LYS A 13 18.738 8.402 -1.438 1.00 2.03 H new ATOM 0 HZ2 LYS A 13 19.714 7.781 -2.682 1.00 2.03 H new ATOM 0 HZ3 LYS A 13 18.930 9.274 -2.882 1.00 2.03 H new ATOM 198 N HIS A 14 19.118 3.825 1.435 1.00 0.65 N ATOM 199 CA HIS A 14 19.647 3.923 2.832 1.00 0.88 C ATOM 200 C HIS A 14 20.262 2.592 3.305 1.00 1.16 C ATOM 201 O HIS A 14 20.807 2.559 4.392 1.00 1.27 O ATOM 202 CB HIS A 14 18.511 4.327 3.796 1.00 0.88 C ATOM 203 CG HIS A 14 18.008 5.747 3.515 1.00 0.85 C ATOM 204 ND1 HIS A 14 16.920 6.025 2.882 1.00 0.86 N ATOM 205 CD2 HIS A 14 18.532 6.987 3.838 1.00 0.90 C ATOM 206 CE1 HIS A 14 16.762 7.312 2.810 1.00 0.93 C ATOM 207 NE2 HIS A 14 17.746 7.948 3.392 1.00 0.96 N ATOM 0 H HIS A 14 18.172 3.451 1.357 1.00 0.65 H new ATOM 0 HA HIS A 14 20.430 4.681 2.834 1.00 0.88 H new ATOM 0 HB2 HIS A 14 17.685 3.623 3.700 1.00 0.88 H new ATOM 0 HB3 HIS A 14 18.867 4.264 4.824 1.00 0.88 H new ATOM 0 HD1 HIS A 14 16.277 5.335 2.494 1.00 0.86 H new ATOM 0 HD2 HIS A 14 19.454 7.145 4.378 1.00 0.90 H new ATOM 0 HE1 HIS A 14 15.924 7.796 2.330 1.00 0.93 H new ATOM 215 N LEU A 15 20.167 1.539 2.523 1.00 1.27 N ATOM 216 CA LEU A 15 20.761 0.205 2.911 1.00 1.54 C ATOM 217 C LEU A 15 22.289 0.258 2.679 1.00 1.53 C ATOM 218 O LEU A 15 22.826 -0.586 2.003 1.00 2.29 O ATOM 219 CB LEU A 15 20.225 -0.944 2.020 1.00 1.84 C ATOM 220 CG LEU A 15 18.779 -1.371 2.128 1.00 1.78 C ATOM 221 CD1 LEU A 15 18.570 -2.471 1.085 1.00 1.74 C ATOM 222 CD2 LEU A 15 18.499 -1.987 3.456 1.00 2.29 C ATOM 0 H LEU A 15 19.697 1.543 1.618 1.00 1.27 H new ATOM 0 HA LEU A 15 20.497 0.019 3.952 1.00 1.54 H new ATOM 0 HB2 LEU A 15 20.403 -0.660 0.983 1.00 1.84 H new ATOM 0 HB3 LEU A 15 20.838 -1.823 2.220 1.00 1.84 H new ATOM 0 HG LEU A 15 18.134 -0.504 1.987 1.00 1.78 H new ATOM 0 HD11 LEU A 15 17.537 -2.816 1.122 1.00 1.74 H new ATOM 0 HD12 LEU A 15 18.786 -2.077 0.092 1.00 1.74 H new ATOM 0 HD13 LEU A 15 19.239 -3.305 1.297 1.00 1.74 H new ATOM 0 HD21 LEU A 15 17.452 -2.285 3.505 1.00 2.29 H new ATOM 0 HD22 LEU A 15 19.132 -2.864 3.591 1.00 2.29 H new ATOM 0 HD23 LEU A 15 18.708 -1.264 4.244 1.00 2.29 H new ATOM 234 N LYS A 16 22.873 1.259 3.276 1.00 1.25 N ATOM 235 CA LYS A 16 24.294 1.776 3.374 1.00 1.34 C ATOM 236 C LYS A 16 25.561 0.973 2.945 1.00 1.19 C ATOM 237 O LYS A 16 26.682 1.223 3.343 1.00 1.28 O ATOM 238 CB LYS A 16 24.297 2.218 4.861 1.00 1.66 C ATOM 239 CG LYS A 16 25.632 2.776 5.376 1.00 0.65 C ATOM 240 CD LYS A 16 25.445 3.125 6.856 1.00 0.76 C ATOM 241 CE LYS A 16 26.757 3.706 7.372 1.00 3.56 C ATOM 242 NZ LYS A 16 26.540 4.126 8.791 1.00 3.77 N ATOM 0 H LYS A 16 22.277 1.878 3.825 1.00 1.25 H new ATOM 0 HA LYS A 16 24.452 2.507 2.581 1.00 1.34 H new ATOM 0 HB2 LYS A 16 23.527 2.977 4.999 1.00 1.66 H new ATOM 0 HB3 LYS A 16 24.017 1.364 5.478 1.00 1.66 H new ATOM 0 HG2 LYS A 16 26.428 2.041 5.253 1.00 0.65 H new ATOM 0 HG3 LYS A 16 25.923 3.659 4.808 1.00 0.65 H new ATOM 0 HD2 LYS A 16 24.635 3.844 6.979 1.00 0.76 H new ATOM 0 HD3 LYS A 16 25.171 2.237 7.425 1.00 0.76 H new ATOM 0 HE2 LYS A 16 27.554 2.965 7.310 1.00 3.56 H new ATOM 0 HE3 LYS A 16 27.064 4.557 6.764 1.00 3.56 H new ATOM 0 HZ1 LYS A 16 27.420 4.528 9.173 1.00 3.77 H new ATOM 0 HZ2 LYS A 16 25.787 4.842 8.830 1.00 3.77 H new ATOM 0 HZ3 LYS A 16 26.262 3.300 9.359 1.00 3.77 H new ATOM 256 N THR A 17 25.323 0.040 2.104 1.00 1.11 N ATOM 257 CA THR A 17 26.368 -0.860 1.544 1.00 1.08 C ATOM 258 C THR A 17 26.028 -0.945 0.051 1.00 1.34 C ATOM 259 O THR A 17 24.863 -1.058 -0.269 1.00 2.55 O ATOM 260 CB THR A 17 26.231 -2.241 2.183 1.00 1.16 C ATOM 261 OG1 THR A 17 26.208 -2.076 3.593 1.00 1.50 O ATOM 262 CG2 THR A 17 27.451 -3.119 2.069 1.00 1.04 C ATOM 0 H THR A 17 24.387 -0.159 1.750 1.00 1.11 H new ATOM 0 HA THR A 17 27.383 -0.505 1.723 1.00 1.08 H new ATOM 0 HB THR A 17 25.360 -2.673 1.690 1.00 1.16 H new ATOM 0 HG1 THR A 17 25.706 -2.812 4.000 1.00 1.50 H new ATOM 0 HG21 THR A 17 27.256 -4.077 2.552 1.00 1.04 H new ATOM 0 HG22 THR A 17 27.684 -3.284 1.017 1.00 1.04 H new ATOM 0 HG23 THR A 17 28.296 -2.632 2.556 1.00 1.04 H new ATOM 270 N LYS A 18 26.985 -0.891 -0.834 1.00 0.29 N ATOM 271 CA LYS A 18 26.660 -0.992 -2.294 1.00 0.46 C ATOM 272 C LYS A 18 26.542 -2.525 -2.487 1.00 0.44 C ATOM 273 O LYS A 18 27.527 -3.242 -2.392 1.00 0.77 O ATOM 274 CB LYS A 18 27.839 -0.361 -3.181 1.00 0.52 C ATOM 275 CG LYS A 18 29.136 -1.239 -3.293 1.00 1.05 C ATOM 276 CD LYS A 18 30.232 -0.510 -4.159 1.00 0.96 C ATOM 277 CE LYS A 18 31.477 -1.439 -4.306 1.00 1.42 C ATOM 278 NZ LYS A 18 32.511 -0.761 -5.163 1.00 3.03 N ATOM 0 H LYS A 18 27.975 -0.782 -0.615 1.00 0.29 H new ATOM 0 HA LYS A 18 25.764 -0.451 -2.598 1.00 0.46 H new ATOM 0 HB2 LYS A 18 27.457 -0.176 -4.185 1.00 0.52 H new ATOM 0 HB3 LYS A 18 28.110 0.607 -2.760 1.00 0.52 H new ATOM 0 HG2 LYS A 18 29.529 -1.443 -2.297 1.00 1.05 H new ATOM 0 HG3 LYS A 18 28.891 -2.201 -3.743 1.00 1.05 H new ATOM 0 HD2 LYS A 18 29.830 -0.263 -5.142 1.00 0.96 H new ATOM 0 HD3 LYS A 18 30.519 0.430 -3.687 1.00 0.96 H new ATOM 0 HE2 LYS A 18 31.894 -1.664 -3.324 1.00 1.42 H new ATOM 0 HE3 LYS A 18 31.184 -2.389 -4.754 1.00 1.42 H new ATOM 0 HZ1 LYS A 18 33.341 -1.380 -5.261 1.00 3.03 H new ATOM 0 HZ2 LYS A 18 32.110 -0.568 -6.103 1.00 3.03 H new ATOM 0 HZ3 LYS A 18 32.798 0.134 -4.718 1.00 3.03 H new ATOM 292 N PRO A 19 25.351 -3.039 -2.720 1.00 0.50 N ATOM 293 CA PRO A 19 25.223 -4.508 -2.911 1.00 0.35 C ATOM 294 C PRO A 19 26.059 -4.994 -4.107 1.00 0.35 C ATOM 295 O PRO A 19 26.699 -4.217 -4.795 1.00 0.61 O ATOM 296 CB PRO A 19 23.693 -4.714 -3.049 1.00 0.40 C ATOM 297 CG PRO A 19 23.133 -3.493 -2.257 1.00 0.93 C ATOM 298 CD PRO A 19 24.020 -2.365 -2.796 1.00 0.96 C ATOM 0 HA PRO A 19 25.620 -5.107 -2.091 1.00 0.35 H new ATOM 0 HB2 PRO A 19 23.372 -4.707 -4.091 1.00 0.40 H new ATOM 0 HB3 PRO A 19 23.368 -5.662 -2.621 1.00 0.40 H new ATOM 0 HG2 PRO A 19 22.076 -3.319 -2.459 1.00 0.93 H new ATOM 0 HG3 PRO A 19 23.235 -3.619 -1.179 1.00 0.93 H new ATOM 0 HD2 PRO A 19 23.756 -2.074 -3.813 1.00 0.96 H new ATOM 0 HD3 PRO A 19 23.971 -1.465 -2.184 1.00 0.96 H new ATOM 306 N ALA A 20 26.047 -6.273 -4.367 1.00 0.38 N ATOM 307 CA ALA A 20 26.858 -6.757 -5.524 1.00 0.72 C ATOM 308 C ALA A 20 26.121 -6.423 -6.837 1.00 0.46 C ATOM 309 O ALA A 20 24.916 -6.259 -6.886 1.00 0.38 O ATOM 310 CB ALA A 20 27.045 -8.267 -5.361 1.00 1.11 C ATOM 0 H ALA A 20 25.530 -6.984 -3.850 1.00 0.38 H new ATOM 0 HA ALA A 20 27.834 -6.273 -5.556 1.00 0.72 H new ATOM 0 HB1 ALA A 20 27.635 -8.652 -6.193 1.00 1.11 H new ATOM 0 HB2 ALA A 20 27.563 -8.470 -4.424 1.00 1.11 H new ATOM 0 HB3 ALA A 20 26.071 -8.755 -5.351 1.00 1.11 H new ATOM 316 N ASP A 21 26.881 -6.343 -7.883 1.00 0.37 N ATOM 317 CA ASP A 21 26.318 -6.019 -9.218 1.00 0.31 C ATOM 318 C ASP A 21 25.027 -6.754 -9.562 1.00 0.36 C ATOM 319 O ASP A 21 24.054 -6.086 -9.810 1.00 0.41 O ATOM 320 CB ASP A 21 27.457 -6.298 -10.230 1.00 0.31 C ATOM 321 CG ASP A 21 28.740 -5.669 -9.679 1.00 0.35 C ATOM 322 OD1 ASP A 21 29.401 -6.375 -8.931 1.00 2.48 O ATOM 323 OD2 ASP A 21 28.990 -4.528 -10.015 1.00 1.84 O ATOM 0 H ASP A 21 27.890 -6.491 -7.871 1.00 0.37 H new ATOM 0 HA ASP A 21 26.001 -4.976 -9.242 1.00 0.31 H new ATOM 0 HB2 ASP A 21 27.588 -7.371 -10.371 1.00 0.31 H new ATOM 0 HB3 ASP A 21 27.213 -5.876 -11.205 1.00 0.31 H new ATOM 328 N GLU A 22 24.976 -8.058 -9.575 1.00 0.32 N ATOM 329 CA GLU A 22 23.687 -8.735 -9.921 1.00 0.41 C ATOM 330 C GLU A 22 22.496 -8.216 -9.070 1.00 0.32 C ATOM 331 O GLU A 22 21.494 -7.733 -9.581 1.00 0.86 O ATOM 332 CB GLU A 22 23.794 -10.281 -9.687 1.00 0.63 C ATOM 333 CG GLU A 22 25.073 -10.960 -10.283 1.00 0.54 C ATOM 334 CD GLU A 22 25.058 -12.519 -10.145 1.00 0.97 C ATOM 335 OE1 GLU A 22 24.114 -13.057 -9.583 1.00 2.21 O ATOM 336 OE2 GLU A 22 26.021 -13.106 -10.624 1.00 2.66 O ATOM 0 H GLU A 22 25.757 -8.679 -9.365 1.00 0.32 H new ATOM 0 HA GLU A 22 23.503 -8.509 -10.971 1.00 0.41 H new ATOM 0 HB2 GLU A 22 23.767 -10.472 -8.614 1.00 0.63 H new ATOM 0 HB3 GLU A 22 22.914 -10.759 -10.118 1.00 0.63 H new ATOM 0 HG2 GLU A 22 25.161 -10.695 -11.337 1.00 0.54 H new ATOM 0 HG3 GLU A 22 25.955 -10.565 -9.780 1.00 0.54 H new ATOM 343 N GLU A 23 22.626 -8.313 -7.766 1.00 0.59 N ATOM 344 CA GLU A 23 21.502 -7.831 -6.907 1.00 0.69 C ATOM 345 C GLU A 23 21.260 -6.343 -7.210 1.00 0.66 C ATOM 346 O GLU A 23 20.114 -5.916 -7.209 1.00 0.75 O ATOM 347 CB GLU A 23 21.857 -8.114 -5.375 1.00 0.90 C ATOM 348 CG GLU A 23 21.736 -9.661 -5.078 1.00 0.98 C ATOM 349 CD GLU A 23 21.377 -9.934 -3.604 1.00 1.19 C ATOM 350 OE1 GLU A 23 22.281 -9.835 -2.785 1.00 1.67 O ATOM 351 OE2 GLU A 23 20.194 -10.207 -3.402 1.00 3.13 O ATOM 0 H GLU A 23 23.435 -8.693 -7.274 1.00 0.59 H new ATOM 0 HA GLU A 23 20.574 -8.363 -7.119 1.00 0.69 H new ATOM 0 HB2 GLU A 23 22.868 -7.770 -5.156 1.00 0.90 H new ATOM 0 HB3 GLU A 23 21.183 -7.555 -4.726 1.00 0.90 H new ATOM 0 HG2 GLU A 23 20.974 -10.097 -5.724 1.00 0.98 H new ATOM 0 HG3 GLU A 23 22.678 -10.152 -5.320 1.00 0.98 H new ATOM 358 N MET A 24 22.316 -5.604 -7.459 1.00 0.64 N ATOM 359 CA MET A 24 22.196 -4.139 -7.789 1.00 0.62 C ATOM 360 C MET A 24 21.334 -4.032 -9.066 1.00 0.51 C ATOM 361 O MET A 24 20.326 -3.367 -9.088 1.00 0.68 O ATOM 362 CB MET A 24 23.618 -3.600 -8.025 1.00 0.42 C ATOM 363 CG MET A 24 24.310 -3.241 -6.717 1.00 0.08 C ATOM 364 SD MET A 24 23.850 -1.626 -6.043 1.00 0.46 S ATOM 365 CE MET A 24 25.242 -0.710 -6.743 1.00 0.91 C ATOM 0 H MET A 24 23.273 -5.956 -7.448 1.00 0.64 H new ATOM 0 HA MET A 24 21.729 -3.560 -6.992 1.00 0.62 H new ATOM 0 HB2 MET A 24 24.207 -4.348 -8.555 1.00 0.42 H new ATOM 0 HB3 MET A 24 23.571 -2.719 -8.665 1.00 0.42 H new ATOM 0 HG2 MET A 24 24.081 -4.008 -5.977 1.00 0.08 H new ATOM 0 HG3 MET A 24 25.388 -3.261 -6.874 1.00 0.08 H new ATOM 0 HE1 MET A 24 25.825 -0.262 -5.938 1.00 0.91 H new ATOM 0 HE2 MET A 24 25.874 -1.390 -7.314 1.00 0.91 H new ATOM 0 HE3 MET A 24 24.867 0.075 -7.400 1.00 0.91 H new ATOM 375 N LEU A 25 21.806 -4.683 -10.095 1.00 0.24 N ATOM 376 CA LEU A 25 21.194 -4.782 -11.442 1.00 0.17 C ATOM 377 C LEU A 25 19.676 -4.981 -11.289 1.00 0.26 C ATOM 378 O LEU A 25 18.880 -4.260 -11.876 1.00 0.44 O ATOM 379 CB LEU A 25 21.975 -5.949 -12.096 1.00 0.27 C ATOM 380 CG LEU A 25 23.338 -5.492 -12.669 1.00 0.53 C ATOM 381 CD1 LEU A 25 24.024 -6.656 -13.350 1.00 0.75 C ATOM 382 CD2 LEU A 25 23.153 -4.413 -13.756 1.00 0.64 C ATOM 0 H LEU A 25 22.683 -5.200 -10.037 1.00 0.24 H new ATOM 0 HA LEU A 25 21.269 -3.899 -12.076 1.00 0.17 H new ATOM 0 HB2 LEU A 25 22.138 -6.734 -11.357 1.00 0.27 H new ATOM 0 HB3 LEU A 25 21.374 -6.383 -12.895 1.00 0.27 H new ATOM 0 HG LEU A 25 23.921 -5.103 -11.834 1.00 0.53 H new ATOM 0 HD11 LEU A 25 24.983 -6.329 -13.752 1.00 0.75 H new ATOM 0 HD12 LEU A 25 24.187 -7.456 -12.627 1.00 0.75 H new ATOM 0 HD13 LEU A 25 23.397 -7.023 -14.162 1.00 0.75 H new ATOM 0 HD21 LEU A 25 24.128 -4.112 -14.139 1.00 0.64 H new ATOM 0 HD22 LEU A 25 22.551 -4.816 -14.571 1.00 0.64 H new ATOM 0 HD23 LEU A 25 22.649 -3.547 -13.327 1.00 0.64 H new ATOM 394 N PHE A 26 19.329 -5.959 -10.482 1.00 0.39 N ATOM 395 CA PHE A 26 17.876 -6.227 -10.261 1.00 0.44 C ATOM 396 C PHE A 26 17.258 -4.937 -9.690 1.00 0.40 C ATOM 397 O PHE A 26 16.424 -4.333 -10.338 1.00 0.37 O ATOM 398 CB PHE A 26 17.723 -7.387 -9.263 1.00 0.41 C ATOM 399 CG PHE A 26 16.230 -7.722 -9.080 1.00 0.40 C ATOM 400 CD1 PHE A 26 15.374 -6.846 -8.434 1.00 0.32 C ATOM 401 CD2 PHE A 26 15.721 -8.911 -9.565 1.00 0.67 C ATOM 402 CE1 PHE A 26 14.049 -7.148 -8.278 1.00 0.29 C ATOM 403 CE2 PHE A 26 14.383 -9.216 -9.406 1.00 0.70 C ATOM 404 CZ PHE A 26 13.551 -8.325 -8.759 1.00 0.45 C ATOM 0 H PHE A 26 19.974 -6.568 -9.979 1.00 0.39 H new ATOM 0 HA PHE A 26 17.374 -6.506 -11.188 1.00 0.44 H new ATOM 0 HB2 PHE A 26 18.261 -8.264 -9.625 1.00 0.41 H new ATOM 0 HB3 PHE A 26 18.165 -7.115 -8.304 1.00 0.41 H new ATOM 0 HD1 PHE A 26 15.757 -5.913 -8.049 1.00 0.32 H new ATOM 0 HD2 PHE A 26 16.373 -9.607 -10.072 1.00 0.67 H new ATOM 0 HE1 PHE A 26 13.395 -6.453 -7.773 1.00 0.29 H new ATOM 0 HE2 PHE A 26 13.990 -10.147 -9.786 1.00 0.70 H new ATOM 0 HZ PHE A 26 12.504 -8.559 -8.633 1.00 0.45 H new ATOM 414 N ILE A 27 17.689 -4.545 -8.507 1.00 0.45 N ATOM 415 CA ILE A 27 17.118 -3.283 -7.898 1.00 0.41 C ATOM 416 C ILE A 27 17.041 -2.144 -8.917 1.00 0.41 C ATOM 417 O ILE A 27 15.985 -1.580 -9.094 1.00 0.70 O ATOM 418 CB ILE A 27 17.987 -2.869 -6.687 1.00 0.38 C ATOM 419 CG1 ILE A 27 17.526 -3.633 -5.430 1.00 0.36 C ATOM 420 CG2 ILE A 27 17.913 -1.366 -6.368 1.00 0.38 C ATOM 421 CD1 ILE A 27 16.050 -3.321 -5.007 1.00 0.35 C ATOM 0 H ILE A 27 18.392 -5.027 -7.947 1.00 0.45 H new ATOM 0 HA ILE A 27 16.099 -3.487 -7.570 1.00 0.41 H new ATOM 0 HB ILE A 27 19.015 -3.111 -6.958 1.00 0.38 H new ATOM 0 HG12 ILE A 27 17.624 -4.703 -5.610 1.00 0.36 H new ATOM 0 HG13 ILE A 27 18.191 -3.387 -4.602 1.00 0.36 H new ATOM 0 HG21 ILE A 27 18.546 -1.145 -5.508 1.00 0.38 H new ATOM 0 HG22 ILE A 27 18.258 -0.794 -7.229 1.00 0.38 H new ATOM 0 HG23 ILE A 27 16.883 -1.093 -6.140 1.00 0.38 H new ATOM 0 HD11 ILE A 27 15.798 -3.895 -4.115 1.00 0.35 H new ATOM 0 HD12 ILE A 27 15.950 -2.257 -4.794 1.00 0.35 H new ATOM 0 HD13 ILE A 27 15.374 -3.594 -5.817 1.00 0.35 H new ATOM 433 N TYR A 28 18.131 -1.816 -9.561 1.00 0.16 N ATOM 434 CA TYR A 28 18.111 -0.715 -10.579 1.00 0.16 C ATOM 435 C TYR A 28 17.021 -1.008 -11.632 1.00 0.15 C ATOM 436 O TYR A 28 16.040 -0.295 -11.669 1.00 0.32 O ATOM 437 CB TYR A 28 19.492 -0.647 -11.240 1.00 0.23 C ATOM 438 CG TYR A 28 19.513 0.385 -12.387 1.00 0.36 C ATOM 439 CD1 TYR A 28 19.630 1.749 -12.160 1.00 0.94 C ATOM 440 CD2 TYR A 28 19.420 -0.062 -13.687 1.00 0.20 C ATOM 441 CE1 TYR A 28 19.657 2.630 -13.229 1.00 1.21 C ATOM 442 CE2 TYR A 28 19.445 0.813 -14.746 1.00 0.52 C ATOM 443 CZ TYR A 28 19.566 2.161 -14.526 1.00 0.96 C ATOM 444 OH TYR A 28 19.599 3.021 -15.600 1.00 1.28 O ATOM 0 H TYR A 28 19.038 -2.263 -9.428 1.00 0.16 H new ATOM 0 HA TYR A 28 17.885 0.241 -10.107 1.00 0.16 H new ATOM 0 HB2 TYR A 28 20.242 -0.381 -10.495 1.00 0.23 H new ATOM 0 HB3 TYR A 28 19.761 -1.630 -11.627 1.00 0.23 H new ATOM 0 HD1 TYR A 28 19.700 2.124 -11.150 1.00 0.94 H new ATOM 0 HD2 TYR A 28 19.326 -1.121 -13.877 1.00 0.20 H new ATOM 0 HE1 TYR A 28 19.750 3.691 -13.048 1.00 1.21 H new ATOM 0 HE2 TYR A 28 19.369 0.438 -15.756 1.00 0.52 H new ATOM 0 HH TYR A 28 19.632 3.946 -15.278 1.00 1.28 H new ATOM 454 N SER A 29 17.198 -2.030 -12.445 1.00 0.08 N ATOM 455 CA SER A 29 16.161 -2.354 -13.497 1.00 0.09 C ATOM 456 C SER A 29 14.754 -2.176 -12.960 1.00 0.13 C ATOM 457 O SER A 29 13.971 -1.422 -13.494 1.00 0.21 O ATOM 458 CB SER A 29 16.292 -3.805 -13.986 1.00 0.09 C ATOM 459 OG SER A 29 16.212 -4.578 -12.794 1.00 0.30 O ATOM 0 H SER A 29 18.007 -2.651 -12.429 1.00 0.08 H new ATOM 0 HA SER A 29 16.338 -1.663 -14.322 1.00 0.09 H new ATOM 0 HB2 SER A 29 15.496 -4.064 -14.684 1.00 0.09 H new ATOM 0 HB3 SER A 29 17.237 -3.968 -14.505 1.00 0.09 H new ATOM 0 HG SER A 29 16.898 -4.277 -12.162 1.00 0.30 H new ATOM 465 N HIS A 30 14.494 -2.881 -11.896 1.00 0.14 N ATOM 466 CA HIS A 30 13.168 -2.815 -11.248 1.00 0.20 C ATOM 467 C HIS A 30 12.819 -1.373 -10.871 1.00 0.26 C ATOM 468 O HIS A 30 11.789 -0.931 -11.319 1.00 0.50 O ATOM 469 CB HIS A 30 13.248 -3.788 -10.076 1.00 0.20 C ATOM 470 CG HIS A 30 13.176 -5.169 -10.739 1.00 0.35 C ATOM 471 ND1 HIS A 30 14.074 -5.689 -11.510 1.00 2.57 N ATOM 472 CD2 HIS A 30 12.182 -6.126 -10.684 1.00 1.61 C ATOM 473 CE1 HIS A 30 13.687 -6.860 -11.908 1.00 2.09 C ATOM 474 NE2 HIS A 30 12.513 -7.169 -11.416 1.00 0.52 N ATOM 0 H HIS A 30 15.159 -3.509 -11.445 1.00 0.14 H new ATOM 0 HA HIS A 30 12.348 -3.110 -11.902 1.00 0.20 H new ATOM 0 HB2 HIS A 30 14.174 -3.662 -9.514 1.00 0.20 H new ATOM 0 HB3 HIS A 30 12.427 -3.638 -9.375 1.00 0.20 H new ATOM 0 HD1 HIS A 30 14.955 -5.244 -11.767 1.00 2.57 H new ATOM 0 HD2 HIS A 30 11.265 -6.032 -10.121 1.00 1.61 H new ATOM 0 HE1 HIS A 30 14.260 -7.500 -12.563 1.00 2.09 H new ATOM 482 N TYR A 31 13.596 -0.660 -10.108 1.00 0.13 N ATOM 483 CA TYR A 31 13.225 0.749 -9.774 1.00 0.20 C ATOM 484 C TYR A 31 13.031 1.598 -11.067 1.00 0.19 C ATOM 485 O TYR A 31 12.111 2.389 -11.191 1.00 0.31 O ATOM 486 CB TYR A 31 14.340 1.286 -8.916 1.00 0.19 C ATOM 487 CG TYR A 31 14.017 2.717 -8.522 1.00 0.22 C ATOM 488 CD1 TYR A 31 13.119 3.043 -7.521 1.00 2.41 C ATOM 489 CD2 TYR A 31 14.640 3.713 -9.217 1.00 2.35 C ATOM 490 CE1 TYR A 31 12.856 4.374 -7.235 1.00 2.33 C ATOM 491 CE2 TYR A 31 14.377 5.027 -8.932 1.00 2.45 C ATOM 492 CZ TYR A 31 13.487 5.369 -7.947 1.00 0.48 C ATOM 493 OH TYR A 31 13.243 6.706 -7.708 1.00 0.69 O ATOM 0 H TYR A 31 14.471 -0.987 -9.700 1.00 0.13 H new ATOM 0 HA TYR A 31 12.274 0.795 -9.243 1.00 0.20 H new ATOM 0 HB2 TYR A 31 14.460 0.669 -8.026 1.00 0.19 H new ATOM 0 HB3 TYR A 31 15.284 1.249 -9.459 1.00 0.19 H new ATOM 0 HD1 TYR A 31 12.624 2.262 -6.963 1.00 2.41 H new ATOM 0 HD2 TYR A 31 15.345 3.464 -9.996 1.00 2.35 H new ATOM 0 HE1 TYR A 31 12.156 4.630 -6.454 1.00 2.33 H new ATOM 0 HE2 TYR A 31 14.878 5.804 -9.491 1.00 2.45 H new ATOM 0 HH TYR A 31 13.787 7.251 -8.314 1.00 0.69 H new ATOM 503 N LYS A 32 13.915 1.422 -12.014 1.00 0.19 N ATOM 504 CA LYS A 32 13.781 2.204 -13.290 1.00 0.24 C ATOM 505 C LYS A 32 12.443 1.817 -13.977 1.00 0.40 C ATOM 506 O LYS A 32 11.666 2.701 -14.277 1.00 0.60 O ATOM 507 CB LYS A 32 14.980 1.884 -14.207 1.00 0.27 C ATOM 508 CG LYS A 32 16.347 2.359 -13.597 1.00 1.36 C ATOM 509 CD LYS A 32 16.510 3.920 -13.357 1.00 0.46 C ATOM 510 CE LYS A 32 16.676 4.723 -14.647 1.00 2.69 C ATOM 511 NZ LYS A 32 16.998 6.155 -14.317 1.00 3.62 N ATOM 0 H LYS A 32 14.711 0.785 -11.967 1.00 0.19 H new ATOM 0 HA LYS A 32 13.776 3.274 -13.085 1.00 0.24 H new ATOM 0 HB2 LYS A 32 15.020 0.810 -14.386 1.00 0.27 H new ATOM 0 HB3 LYS A 32 14.831 2.363 -15.175 1.00 0.27 H new ATOM 0 HG2 LYS A 32 16.491 1.850 -12.644 1.00 1.36 H new ATOM 0 HG3 LYS A 32 17.149 2.030 -14.258 1.00 1.36 H new ATOM 0 HD2 LYS A 32 15.637 4.289 -12.819 1.00 0.46 H new ATOM 0 HD3 LYS A 32 17.376 4.092 -12.717 1.00 0.46 H new ATOM 0 HE2 LYS A 32 17.472 4.292 -15.255 1.00 2.69 H new ATOM 0 HE3 LYS A 32 15.761 4.673 -15.238 1.00 2.69 H new ATOM 0 HZ1 LYS A 32 16.290 6.779 -14.754 1.00 3.62 H new ATOM 0 HZ2 LYS A 32 16.985 6.285 -13.285 1.00 3.62 H new ATOM 0 HZ3 LYS A 32 17.942 6.392 -14.684 1.00 3.62 H new ATOM 525 N GLN A 33 12.176 0.550 -14.217 1.00 0.35 N ATOM 526 CA GLN A 33 10.861 0.191 -14.879 1.00 0.56 C ATOM 527 C GLN A 33 9.701 0.645 -13.967 1.00 0.49 C ATOM 528 O GLN A 33 8.749 1.255 -14.413 1.00 0.45 O ATOM 529 CB GLN A 33 10.701 -1.364 -15.130 1.00 0.90 C ATOM 530 CG GLN A 33 10.886 -2.172 -13.820 1.00 1.80 C ATOM 531 CD GLN A 33 10.569 -3.663 -13.919 1.00 3.22 C ATOM 532 OE1 GLN A 33 10.520 -4.389 -12.944 1.00 4.39 O ATOM 533 NE2 GLN A 33 10.330 -4.178 -15.076 1.00 3.64 N ATOM 0 H GLN A 33 12.788 -0.235 -13.993 1.00 0.35 H new ATOM 0 HA GLN A 33 10.844 0.693 -15.846 1.00 0.56 H new ATOM 0 HB2 GLN A 33 9.715 -1.567 -15.548 1.00 0.90 H new ATOM 0 HB3 GLN A 33 11.433 -1.692 -15.868 1.00 0.90 H new ATOM 0 HG2 GLN A 33 11.917 -2.059 -13.486 1.00 1.80 H new ATOM 0 HG3 GLN A 33 10.251 -1.733 -13.050 1.00 1.80 H new ATOM 0 HE21 GLN A 33 10.364 -3.594 -15.911 1.00 3.64 H new ATOM 0 HE22 GLN A 33 10.107 -5.170 -15.156 1.00 3.64 H new ATOM 542 N ALA A 34 9.835 0.342 -12.704 1.00 0.53 N ATOM 543 CA ALA A 34 8.835 0.685 -11.659 1.00 0.45 C ATOM 544 C ALA A 34 8.451 2.153 -11.674 1.00 0.38 C ATOM 545 O ALA A 34 7.313 2.461 -11.402 1.00 0.48 O ATOM 546 CB ALA A 34 9.405 0.349 -10.295 1.00 0.53 C ATOM 0 H ALA A 34 10.646 -0.158 -12.339 1.00 0.53 H new ATOM 0 HA ALA A 34 7.937 0.104 -11.870 1.00 0.45 H new ATOM 0 HB1 ALA A 34 8.676 0.599 -9.524 1.00 0.53 H new ATOM 0 HB2 ALA A 34 9.633 -0.716 -10.248 1.00 0.53 H new ATOM 0 HB3 ALA A 34 10.317 0.922 -10.131 1.00 0.53 H new ATOM 552 N THR A 35 9.373 3.022 -11.993 1.00 0.27 N ATOM 553 CA THR A 35 9.064 4.503 -12.016 1.00 0.16 C ATOM 554 C THR A 35 8.923 5.070 -13.430 1.00 0.15 C ATOM 555 O THR A 35 8.028 5.854 -13.668 1.00 0.16 O ATOM 556 CB THR A 35 10.180 5.292 -11.303 1.00 0.13 C ATOM 557 OG1 THR A 35 11.346 4.957 -12.030 1.00 0.23 O ATOM 558 CG2 THR A 35 10.500 4.761 -9.911 1.00 0.12 C ATOM 0 H THR A 35 10.332 2.780 -12.241 1.00 0.27 H new ATOM 0 HA THR A 35 8.107 4.613 -11.505 1.00 0.16 H new ATOM 0 HB THR A 35 9.884 6.339 -11.243 1.00 0.13 H new ATOM 0 HG1 THR A 35 11.678 4.084 -11.732 1.00 0.23 H new ATOM 0 HG21 THR A 35 11.293 5.361 -9.466 1.00 0.12 H new ATOM 0 HG22 THR A 35 9.609 4.817 -9.286 1.00 0.12 H new ATOM 0 HG23 THR A 35 10.827 3.724 -9.984 1.00 0.12 H new ATOM 566 N VAL A 36 9.775 4.675 -14.337 1.00 0.21 N ATOM 567 CA VAL A 36 9.708 5.182 -15.750 1.00 0.30 C ATOM 568 C VAL A 36 8.851 4.244 -16.617 1.00 0.41 C ATOM 569 O VAL A 36 7.875 4.651 -17.223 1.00 0.45 O ATOM 570 CB VAL A 36 11.177 5.276 -16.375 1.00 0.49 C ATOM 571 CG1 VAL A 36 11.064 5.766 -17.859 1.00 0.66 C ATOM 572 CG2 VAL A 36 12.003 6.290 -15.583 1.00 0.40 C ATOM 0 H VAL A 36 10.529 4.011 -14.161 1.00 0.21 H new ATOM 0 HA VAL A 36 9.255 6.173 -15.734 1.00 0.30 H new ATOM 0 HB VAL A 36 11.657 4.298 -16.334 1.00 0.49 H new ATOM 0 HG11 VAL A 36 12.060 5.834 -18.296 1.00 0.66 H new ATOM 0 HG12 VAL A 36 10.464 5.058 -18.431 1.00 0.66 H new ATOM 0 HG13 VAL A 36 10.589 6.747 -17.883 1.00 0.66 H new ATOM 0 HG21 VAL A 36 13.005 6.355 -16.008 1.00 0.40 H new ATOM 0 HG22 VAL A 36 11.524 7.268 -15.633 1.00 0.40 H new ATOM 0 HG23 VAL A 36 12.070 5.971 -14.543 1.00 0.40 H new ATOM 582 N GLY A 37 9.250 3.004 -16.614 1.00 0.53 N ATOM 583 CA GLY A 37 8.579 1.905 -17.404 1.00 0.59 C ATOM 584 C GLY A 37 9.567 1.396 -18.456 1.00 0.50 C ATOM 585 O GLY A 37 10.509 0.719 -18.096 1.00 0.45 O ATOM 0 H GLY A 37 10.052 2.682 -16.073 1.00 0.53 H new ATOM 0 HA2 GLY A 37 8.277 1.093 -16.743 1.00 0.59 H new ATOM 0 HA3 GLY A 37 7.674 2.280 -17.883 1.00 0.59 H new ATOM 589 N ASP A 38 9.340 1.711 -19.705 1.00 0.55 N ATOM 590 CA ASP A 38 10.266 1.260 -20.800 1.00 0.52 C ATOM 591 C ASP A 38 11.626 1.968 -20.726 1.00 0.64 C ATOM 592 O ASP A 38 11.830 2.849 -19.919 1.00 0.94 O ATOM 593 CB ASP A 38 9.642 1.587 -22.199 1.00 0.75 C ATOM 594 CG ASP A 38 8.327 0.866 -22.484 1.00 0.92 C ATOM 595 OD1 ASP A 38 7.772 0.270 -21.579 1.00 0.91 O ATOM 596 OD2 ASP A 38 7.959 0.967 -23.643 1.00 1.09 O ATOM 0 H ASP A 38 8.546 2.267 -20.021 1.00 0.55 H new ATOM 0 HA ASP A 38 10.408 0.187 -20.671 1.00 0.52 H new ATOM 0 HB2 ASP A 38 9.476 2.662 -22.267 1.00 0.75 H new ATOM 0 HB3 ASP A 38 10.362 1.326 -22.975 1.00 0.75 H new ATOM 601 N ILE A 39 12.515 1.554 -21.584 1.00 0.66 N ATOM 602 CA ILE A 39 13.857 2.189 -21.602 1.00 0.83 C ATOM 603 C ILE A 39 13.674 3.122 -22.815 1.00 1.23 C ATOM 604 O ILE A 39 13.520 2.704 -23.947 1.00 1.59 O ATOM 605 CB ILE A 39 14.910 1.036 -21.759 1.00 0.71 C ATOM 606 CG1 ILE A 39 16.310 1.619 -21.460 1.00 0.68 C ATOM 607 CG2 ILE A 39 14.959 0.440 -23.187 1.00 0.81 C ATOM 608 CD1 ILE A 39 17.198 0.486 -20.871 1.00 0.32 C ATOM 0 H ILE A 39 12.371 0.810 -22.267 1.00 0.66 H new ATOM 0 HA ILE A 39 14.207 2.743 -20.731 1.00 0.83 H new ATOM 0 HB ILE A 39 14.619 0.242 -21.072 1.00 0.71 H new ATOM 0 HG12 ILE A 39 16.758 2.017 -22.371 1.00 0.68 H new ATOM 0 HG13 ILE A 39 16.234 2.446 -20.755 1.00 0.68 H new ATOM 0 HG21 ILE A 39 15.707 -0.352 -23.225 1.00 0.81 H new ATOM 0 HG22 ILE A 39 13.983 0.029 -23.443 1.00 0.81 H new ATOM 0 HG23 ILE A 39 15.222 1.222 -23.899 1.00 0.81 H new ATOM 0 HD11 ILE A 39 18.191 0.878 -20.653 1.00 0.32 H new ATOM 0 HD12 ILE A 39 16.747 0.110 -19.953 1.00 0.32 H new ATOM 0 HD13 ILE A 39 17.279 -0.326 -21.594 1.00 0.32 H new ATOM 620 N ASN A 40 13.690 4.403 -22.570 1.00 1.55 N ATOM 621 CA ASN A 40 13.503 5.385 -23.686 1.00 2.26 C ATOM 622 C ASN A 40 14.846 5.994 -24.117 1.00 2.79 C ATOM 623 O ASN A 40 14.919 7.088 -24.644 1.00 3.54 O ATOM 624 CB ASN A 40 12.509 6.432 -23.133 1.00 2.29 C ATOM 625 CG ASN A 40 13.139 7.160 -21.943 1.00 2.33 C ATOM 626 OD1 ASN A 40 13.705 6.576 -21.040 1.00 2.14 O ATOM 627 ND2 ASN A 40 13.081 8.445 -21.875 1.00 3.08 N ATOM 0 H ASN A 40 13.824 4.816 -21.647 1.00 1.55 H new ATOM 0 HA ASN A 40 13.110 4.924 -24.592 1.00 2.26 H new ATOM 0 HB2 ASN A 40 12.247 7.147 -23.913 1.00 2.29 H new ATOM 0 HB3 ASN A 40 11.584 5.944 -22.825 1.00 2.29 H new ATOM 0 HD21 ASN A 40 13.501 8.933 -21.084 1.00 3.08 H new ATOM 0 HD22 ASN A 40 12.615 8.974 -22.612 1.00 3.08 H new ATOM 634 N THR A 41 15.868 5.229 -23.849 1.00 2.38 N ATOM 635 CA THR A 41 17.286 5.604 -24.182 1.00 2.80 C ATOM 636 C THR A 41 17.901 4.538 -25.097 1.00 2.85 C ATOM 637 O THR A 41 17.271 3.544 -25.409 1.00 2.61 O ATOM 638 CB THR A 41 18.165 5.703 -22.856 1.00 2.73 C ATOM 639 OG1 THR A 41 18.973 4.531 -22.754 1.00 2.41 O ATOM 640 CG2 THR A 41 17.333 5.470 -21.581 1.00 2.45 C ATOM 0 H THR A 41 15.781 4.320 -23.394 1.00 2.38 H new ATOM 0 HA THR A 41 17.275 6.572 -24.683 1.00 2.80 H new ATOM 0 HB THR A 41 18.658 6.673 -22.919 1.00 2.73 H new ATOM 0 HG1 THR A 41 19.784 4.736 -22.244 1.00 2.41 H new ATOM 0 HG21 THR A 41 17.978 5.548 -20.706 1.00 2.45 H new ATOM 0 HG22 THR A 41 16.545 6.220 -21.519 1.00 2.45 H new ATOM 0 HG23 THR A 41 16.886 4.476 -21.615 1.00 2.45 H new ATOM 648 N GLU A 42 19.121 4.794 -25.493 1.00 3.26 N ATOM 649 CA GLU A 42 19.865 3.850 -26.371 1.00 3.36 C ATOM 650 C GLU A 42 20.890 3.179 -25.423 1.00 2.81 C ATOM 651 O GLU A 42 21.134 3.652 -24.324 1.00 2.69 O ATOM 652 CB GLU A 42 20.577 4.641 -27.504 1.00 4.18 C ATOM 653 CG GLU A 42 21.734 5.538 -26.961 1.00 4.51 C ATOM 654 CD GLU A 42 22.579 6.133 -28.105 1.00 5.27 C ATOM 655 OE1 GLU A 42 23.270 5.336 -28.718 1.00 5.57 O ATOM 656 OE2 GLU A 42 22.488 7.335 -28.297 1.00 6.30 O ATOM 0 H GLU A 42 19.640 5.634 -25.238 1.00 3.26 H new ATOM 0 HA GLU A 42 19.224 3.116 -26.860 1.00 3.36 H new ATOM 0 HB2 GLU A 42 20.976 3.941 -28.238 1.00 4.18 H new ATOM 0 HB3 GLU A 42 19.849 5.265 -28.022 1.00 4.18 H new ATOM 0 HG2 GLU A 42 21.317 6.345 -26.359 1.00 4.51 H new ATOM 0 HG3 GLU A 42 22.374 4.949 -26.304 1.00 4.51 H new ATOM 663 N ARG A 43 21.430 2.093 -25.876 1.00 2.67 N ATOM 664 CA ARG A 43 22.437 1.304 -25.108 1.00 2.11 C ATOM 665 C ARG A 43 23.898 1.819 -24.854 1.00 2.00 C ATOM 666 O ARG A 43 24.665 1.968 -25.784 1.00 1.85 O ATOM 667 CB ARG A 43 22.450 -0.038 -25.810 1.00 1.75 C ATOM 668 CG ARG A 43 23.351 -1.031 -25.069 1.00 1.17 C ATOM 669 CD ARG A 43 23.050 -2.414 -25.627 1.00 1.24 C ATOM 670 NE ARG A 43 23.919 -3.358 -24.846 1.00 0.92 N ATOM 671 CZ ARG A 43 23.510 -4.335 -24.117 1.00 1.31 C ATOM 672 NH1 ARG A 43 22.293 -4.615 -23.908 1.00 1.02 N ATOM 673 NH2 ARG A 43 24.430 -5.033 -23.602 1.00 2.67 N ATOM 0 H ARG A 43 21.208 1.697 -26.789 1.00 2.67 H new ATOM 0 HA ARG A 43 22.101 1.341 -24.072 1.00 2.11 H new ATOM 0 HB2 ARG A 43 21.436 -0.433 -25.867 1.00 1.75 H new ATOM 0 HB3 ARG A 43 22.802 0.086 -26.834 1.00 1.75 H new ATOM 0 HG2 ARG A 43 24.402 -0.778 -25.213 1.00 1.17 H new ATOM 0 HG3 ARG A 43 23.159 -0.999 -23.997 1.00 1.17 H new ATOM 0 HD2 ARG A 43 21.995 -2.664 -25.510 1.00 1.24 H new ATOM 0 HD3 ARG A 43 23.274 -2.465 -26.693 1.00 1.24 H new ATOM 0 HE ARG A 43 24.927 -3.210 -24.899 1.00 0.92 H new ATOM 0 HH11 ARG A 43 21.559 -4.047 -24.332 1.00 1.02 H new ATOM 0 HH12 ARG A 43 22.047 -5.408 -23.316 1.00 1.02 H new ATOM 0 HH21 ARG A 43 25.407 -4.800 -23.780 1.00 2.67 H new ATOM 0 HH22 ARG A 43 24.195 -5.829 -23.009 1.00 2.67 H new ATOM 687 N PRO A 44 24.257 2.044 -23.597 1.00 2.08 N ATOM 688 CA PRO A 44 25.591 2.542 -23.109 1.00 1.99 C ATOM 689 C PRO A 44 26.935 2.461 -23.865 1.00 1.98 C ATOM 690 O PRO A 44 27.846 3.153 -23.460 1.00 2.56 O ATOM 691 CB PRO A 44 25.741 1.891 -21.710 1.00 2.22 C ATOM 692 CG PRO A 44 24.370 1.275 -21.370 1.00 3.03 C ATOM 693 CD PRO A 44 23.393 1.813 -22.402 1.00 2.34 C ATOM 0 HA PRO A 44 25.482 3.620 -23.228 1.00 1.99 H new ATOM 0 HB2 PRO A 44 26.519 1.128 -21.718 1.00 2.22 H new ATOM 0 HB3 PRO A 44 26.030 2.633 -20.965 1.00 2.22 H new ATOM 0 HG2 PRO A 44 24.413 0.186 -21.406 1.00 3.03 H new ATOM 0 HG3 PRO A 44 24.060 1.549 -20.361 1.00 3.03 H new ATOM 0 HD2 PRO A 44 22.596 1.100 -22.613 1.00 2.34 H new ATOM 0 HD3 PRO A 44 22.917 2.734 -22.065 1.00 2.34 H new ATOM 701 N GLY A 45 27.049 1.662 -24.896 1.00 3.26 N ATOM 702 CA GLY A 45 28.326 1.496 -25.719 1.00 3.26 C ATOM 703 C GLY A 45 29.658 1.814 -25.002 1.00 3.31 C ATOM 704 O GLY A 45 30.412 0.892 -24.780 1.00 2.98 O ATOM 0 H GLY A 45 26.279 1.082 -25.230 1.00 3.26 H new ATOM 0 HA2 GLY A 45 28.369 0.467 -26.077 1.00 3.26 H new ATOM 0 HA3 GLY A 45 28.251 2.137 -26.598 1.00 3.26 H new ATOM 708 N MET A 46 29.909 3.054 -24.677 1.00 3.84 N ATOM 709 CA MET A 46 31.172 3.481 -23.966 1.00 4.03 C ATOM 710 C MET A 46 31.579 2.458 -22.860 1.00 3.78 C ATOM 711 O MET A 46 32.543 1.734 -22.989 1.00 3.87 O ATOM 712 CB MET A 46 30.912 4.884 -23.345 1.00 4.56 C ATOM 713 CG MET A 46 30.706 5.973 -24.410 1.00 4.87 C ATOM 714 SD MET A 46 29.994 7.527 -23.809 1.00 3.91 S ATOM 715 CE MET A 46 31.482 8.249 -23.074 1.00 2.62 C ATOM 0 H MET A 46 29.272 3.824 -24.879 1.00 3.84 H new ATOM 0 HA MET A 46 31.998 3.522 -24.676 1.00 4.03 H new ATOM 0 HB2 MET A 46 30.031 4.836 -22.705 1.00 4.56 H new ATOM 0 HB3 MET A 46 31.754 5.158 -22.709 1.00 4.56 H new ATOM 0 HG2 MET A 46 31.668 6.190 -24.874 1.00 4.87 H new ATOM 0 HG3 MET A 46 30.058 5.575 -25.191 1.00 4.87 H new ATOM 0 HE1 MET A 46 31.241 9.222 -22.646 1.00 2.62 H new ATOM 0 HE2 MET A 46 31.857 7.591 -22.290 1.00 2.62 H new ATOM 0 HE3 MET A 46 32.246 8.369 -23.842 1.00 2.62 H new ATOM 725 N LEU A 47 30.832 2.434 -21.788 1.00 3.50 N ATOM 726 CA LEU A 47 31.141 1.477 -20.673 1.00 3.30 C ATOM 727 C LEU A 47 30.384 0.154 -20.886 1.00 2.91 C ATOM 728 O LEU A 47 29.517 0.046 -21.740 1.00 4.66 O ATOM 729 CB LEU A 47 30.728 2.130 -19.313 1.00 3.17 C ATOM 730 CG LEU A 47 31.757 3.190 -18.857 1.00 3.78 C ATOM 731 CD1 LEU A 47 31.660 4.451 -19.738 1.00 6.60 C ATOM 732 CD2 LEU A 47 31.467 3.568 -17.394 1.00 2.97 C ATOM 0 H LEU A 47 30.021 3.033 -21.632 1.00 3.50 H new ATOM 0 HA LEU A 47 32.209 1.260 -20.660 1.00 3.30 H new ATOM 0 HB2 LEU A 47 29.747 2.594 -19.414 1.00 3.17 H new ATOM 0 HB3 LEU A 47 30.638 1.357 -18.550 1.00 3.17 H new ATOM 0 HG LEU A 47 32.761 2.776 -18.949 1.00 3.78 H new ATOM 0 HD11 LEU A 47 32.391 5.186 -19.403 1.00 6.60 H new ATOM 0 HD12 LEU A 47 31.861 4.186 -20.776 1.00 6.60 H new ATOM 0 HD13 LEU A 47 30.658 4.874 -19.659 1.00 6.60 H new ATOM 0 HD21 LEU A 47 32.187 4.316 -17.062 1.00 2.97 H new ATOM 0 HD22 LEU A 47 30.459 3.976 -17.316 1.00 2.97 H new ATOM 0 HD23 LEU A 47 31.549 2.681 -16.766 1.00 2.97 H new ATOM 744 N ASP A 48 30.734 -0.830 -20.102 1.00 0.99 N ATOM 745 CA ASP A 48 30.067 -2.159 -20.227 1.00 0.57 C ATOM 746 C ASP A 48 29.350 -2.632 -18.952 1.00 0.36 C ATOM 747 O ASP A 48 28.132 -2.626 -18.891 1.00 0.48 O ATOM 748 CB ASP A 48 31.170 -3.147 -20.674 1.00 0.68 C ATOM 749 CG ASP A 48 31.914 -2.612 -21.896 1.00 1.28 C ATOM 750 OD1 ASP A 48 31.222 -2.454 -22.887 1.00 0.30 O ATOM 751 OD2 ASP A 48 33.103 -2.402 -21.748 1.00 3.01 O ATOM 0 H ASP A 48 31.453 -0.771 -19.381 1.00 0.99 H new ATOM 0 HA ASP A 48 29.258 -2.094 -20.955 1.00 0.57 H new ATOM 0 HB2 ASP A 48 31.873 -3.309 -19.857 1.00 0.68 H new ATOM 0 HB3 ASP A 48 30.725 -4.114 -20.908 1.00 0.68 H new ATOM 756 N PHE A 49 30.130 -3.024 -17.973 1.00 0.41 N ATOM 757 CA PHE A 49 29.574 -3.514 -16.662 1.00 0.77 C ATOM 758 C PHE A 49 28.697 -2.468 -15.952 1.00 0.82 C ATOM 759 O PHE A 49 27.701 -2.767 -15.331 1.00 0.80 O ATOM 760 CB PHE A 49 30.745 -3.910 -15.707 1.00 1.19 C ATOM 761 CG PHE A 49 31.348 -2.635 -15.085 1.00 1.71 C ATOM 762 CD1 PHE A 49 32.155 -1.780 -15.814 1.00 3.53 C ATOM 763 CD2 PHE A 49 31.046 -2.323 -13.770 1.00 2.47 C ATOM 764 CE1 PHE A 49 32.652 -0.627 -15.242 1.00 4.13 C ATOM 765 CE2 PHE A 49 31.537 -1.175 -13.189 1.00 2.78 C ATOM 766 CZ PHE A 49 32.344 -0.321 -13.926 1.00 3.01 C ATOM 0 H PHE A 49 31.149 -3.027 -18.024 1.00 0.41 H new ATOM 0 HA PHE A 49 28.946 -4.374 -16.893 1.00 0.77 H new ATOM 0 HB2 PHE A 49 30.381 -4.574 -14.923 1.00 1.19 H new ATOM 0 HB3 PHE A 49 31.510 -4.457 -16.258 1.00 1.19 H new ATOM 0 HD1 PHE A 49 32.398 -2.017 -16.839 1.00 3.53 H new ATOM 0 HD2 PHE A 49 30.419 -2.987 -13.194 1.00 2.47 H new ATOM 0 HE1 PHE A 49 33.280 0.036 -15.819 1.00 4.13 H new ATOM 0 HE2 PHE A 49 31.295 -0.940 -12.163 1.00 2.78 H new ATOM 0 HZ PHE A 49 32.732 0.581 -13.475 1.00 3.01 H new ATOM 776 N LYS A 50 29.123 -1.247 -16.084 1.00 0.99 N ATOM 777 CA LYS A 50 28.390 -0.110 -15.451 1.00 1.21 C ATOM 778 C LYS A 50 27.307 0.474 -16.351 1.00 0.97 C ATOM 779 O LYS A 50 26.448 1.182 -15.863 1.00 1.06 O ATOM 780 CB LYS A 50 29.428 0.981 -15.073 1.00 1.80 C ATOM 781 CG LYS A 50 28.868 2.011 -14.049 1.00 2.21 C ATOM 782 CD LYS A 50 28.544 1.267 -12.714 1.00 1.37 C ATOM 783 CE LYS A 50 28.315 2.218 -11.533 1.00 3.03 C ATOM 784 NZ LYS A 50 29.636 2.843 -11.217 1.00 3.28 N ATOM 0 H LYS A 50 29.956 -0.981 -16.608 1.00 0.99 H new ATOM 0 HA LYS A 50 27.874 -0.483 -14.566 1.00 1.21 H new ATOM 0 HB2 LYS A 50 30.315 0.504 -14.655 1.00 1.80 H new ATOM 0 HB3 LYS A 50 29.743 1.506 -15.975 1.00 1.80 H new ATOM 0 HG2 LYS A 50 29.596 2.803 -13.873 1.00 2.21 H new ATOM 0 HG3 LYS A 50 27.970 2.486 -14.444 1.00 2.21 H new ATOM 0 HD2 LYS A 50 27.655 0.652 -12.855 1.00 1.37 H new ATOM 0 HD3 LYS A 50 29.365 0.591 -12.474 1.00 1.37 H new ATOM 0 HE2 LYS A 50 27.578 2.980 -11.788 1.00 3.03 H new ATOM 0 HE3 LYS A 50 27.928 1.676 -10.670 1.00 3.03 H new ATOM 0 HZ1 LYS A 50 29.619 3.219 -10.247 1.00 3.28 H new ATOM 0 HZ2 LYS A 50 30.387 2.128 -11.298 1.00 3.28 H new ATOM 0 HZ3 LYS A 50 29.822 3.618 -11.885 1.00 3.28 H new ATOM 798 N GLY A 51 27.397 0.182 -17.618 1.00 0.97 N ATOM 799 CA GLY A 51 26.384 0.691 -18.606 1.00 0.95 C ATOM 800 C GLY A 51 25.540 -0.434 -19.214 1.00 0.63 C ATOM 801 O GLY A 51 24.370 -0.571 -18.896 1.00 0.77 O ATOM 0 H GLY A 51 28.135 -0.394 -18.023 1.00 0.97 H new ATOM 0 HA2 GLY A 51 25.727 1.407 -18.112 1.00 0.95 H new ATOM 0 HA3 GLY A 51 26.897 1.227 -19.404 1.00 0.95 H new ATOM 805 N LYS A 52 26.112 -1.246 -20.070 1.00 0.54 N ATOM 806 CA LYS A 52 25.264 -2.323 -20.651 1.00 0.46 C ATOM 807 C LYS A 52 24.594 -3.229 -19.661 1.00 0.38 C ATOM 808 O LYS A 52 23.466 -3.540 -19.917 1.00 0.78 O ATOM 809 CB LYS A 52 26.091 -3.141 -21.538 1.00 0.41 C ATOM 810 CG LYS A 52 26.567 -2.198 -22.670 1.00 0.41 C ATOM 811 CD LYS A 52 27.753 -2.908 -23.240 1.00 0.41 C ATOM 812 CE LYS A 52 28.344 -2.171 -24.429 1.00 0.48 C ATOM 813 NZ LYS A 52 29.395 -1.247 -23.945 1.00 0.39 N ATOM 0 H LYS A 52 27.084 -1.213 -20.378 1.00 0.54 H new ATOM 0 HA LYS A 52 24.457 -1.807 -21.171 1.00 0.46 H new ATOM 0 HB2 LYS A 52 26.940 -3.564 -21.000 1.00 0.41 H new ATOM 0 HB3 LYS A 52 25.521 -3.978 -21.941 1.00 0.41 H new ATOM 0 HG2 LYS A 52 25.791 -2.047 -23.420 1.00 0.41 H new ATOM 0 HG3 LYS A 52 26.835 -1.214 -22.286 1.00 0.41 H new ATOM 0 HD2 LYS A 52 28.514 -3.018 -22.468 1.00 0.41 H new ATOM 0 HD3 LYS A 52 27.461 -3.913 -23.546 1.00 0.41 H new ATOM 0 HE2 LYS A 52 28.765 -2.881 -25.141 1.00 0.48 H new ATOM 0 HE3 LYS A 52 27.566 -1.616 -24.953 1.00 0.48 H new ATOM 0 HZ1 LYS A 52 29.664 -0.596 -24.710 1.00 0.39 H new ATOM 0 HZ2 LYS A 52 29.032 -0.701 -23.137 1.00 0.39 H new ATOM 0 HZ3 LYS A 52 30.228 -1.794 -23.647 1.00 0.39 H new ATOM 827 N ALA A 53 25.256 -3.593 -18.606 1.00 0.31 N ATOM 828 CA ALA A 53 24.640 -4.496 -17.602 1.00 0.44 C ATOM 829 C ALA A 53 23.322 -3.939 -17.045 1.00 0.27 C ATOM 830 O ALA A 53 22.283 -4.552 -17.191 1.00 0.19 O ATOM 831 CB ALA A 53 25.658 -4.702 -16.466 1.00 0.78 C ATOM 0 H ALA A 53 26.210 -3.300 -18.393 1.00 0.31 H new ATOM 0 HA ALA A 53 24.393 -5.443 -18.082 1.00 0.44 H new ATOM 0 HB1 ALA A 53 25.232 -5.363 -15.711 1.00 0.78 H new ATOM 0 HB2 ALA A 53 26.567 -5.149 -16.869 1.00 0.78 H new ATOM 0 HB3 ALA A 53 25.897 -3.740 -16.013 1.00 0.78 H new ATOM 837 N LYS A 54 23.365 -2.783 -16.423 1.00 0.46 N ATOM 838 CA LYS A 54 22.093 -2.239 -15.873 1.00 0.49 C ATOM 839 C LYS A 54 21.161 -1.796 -17.004 1.00 0.56 C ATOM 840 O LYS A 54 19.964 -1.733 -16.793 1.00 0.84 O ATOM 841 CB LYS A 54 22.446 -1.071 -14.940 1.00 0.66 C ATOM 842 CG LYS A 54 22.608 0.230 -15.740 1.00 1.19 C ATOM 843 CD LYS A 54 23.311 1.240 -14.851 1.00 1.40 C ATOM 844 CE LYS A 54 22.978 2.692 -15.278 1.00 1.99 C ATOM 845 NZ LYS A 54 23.109 2.811 -16.769 1.00 2.13 N ATOM 0 H LYS A 54 24.198 -2.213 -16.278 1.00 0.46 H new ATOM 0 HA LYS A 54 21.560 -3.006 -15.312 1.00 0.49 H new ATOM 0 HB2 LYS A 54 21.664 -0.948 -14.190 1.00 0.66 H new ATOM 0 HB3 LYS A 54 23.369 -1.292 -14.405 1.00 0.66 H new ATOM 0 HG2 LYS A 54 23.187 0.051 -16.646 1.00 1.19 H new ATOM 0 HG3 LYS A 54 21.635 0.609 -16.053 1.00 1.19 H new ATOM 0 HD2 LYS A 54 23.012 1.086 -13.814 1.00 1.40 H new ATOM 0 HD3 LYS A 54 24.388 1.082 -14.899 1.00 1.40 H new ATOM 0 HE2 LYS A 54 21.966 2.952 -14.968 1.00 1.99 H new ATOM 0 HE3 LYS A 54 23.652 3.392 -14.785 1.00 1.99 H new ATOM 0 HZ1 LYS A 54 23.156 3.815 -17.034 1.00 2.13 H new ATOM 0 HZ2 LYS A 54 23.976 2.329 -17.081 1.00 2.13 H new ATOM 0 HZ3 LYS A 54 22.285 2.371 -17.226 1.00 2.13 H new ATOM 859 N TRP A 55 21.670 -1.492 -18.181 1.00 0.58 N ATOM 860 CA TRP A 55 20.746 -1.064 -19.277 1.00 0.54 C ATOM 861 C TRP A 55 20.097 -2.412 -19.556 1.00 0.35 C ATOM 862 O TRP A 55 18.912 -2.528 -19.386 1.00 0.46 O ATOM 863 CB TRP A 55 21.584 -0.572 -20.432 1.00 0.66 C ATOM 864 CG TRP A 55 20.754 0.371 -21.301 1.00 0.67 C ATOM 865 CD1 TRP A 55 20.432 1.662 -20.990 1.00 0.75 C ATOM 866 CD2 TRP A 55 20.231 0.051 -22.500 1.00 0.66 C ATOM 867 NE1 TRP A 55 19.728 2.043 -22.037 1.00 0.79 N ATOM 868 CE2 TRP A 55 19.552 1.151 -22.996 1.00 0.75 C ATOM 869 CE3 TRP A 55 20.276 -1.132 -23.239 1.00 0.60 C ATOM 870 CZ2 TRP A 55 18.921 1.076 -24.224 1.00 0.80 C ATOM 871 CZ3 TRP A 55 19.639 -1.204 -24.476 1.00 0.65 C ATOM 872 CH2 TRP A 55 18.962 -0.094 -24.971 1.00 0.76 C ATOM 0 H TRP A 55 22.661 -1.522 -18.422 1.00 0.58 H new ATOM 0 HA TRP A 55 20.038 -0.261 -19.072 1.00 0.54 H new ATOM 0 HB2 TRP A 55 22.468 -0.055 -20.059 1.00 0.66 H new ATOM 0 HB3 TRP A 55 21.935 -1.416 -21.026 1.00 0.66 H new ATOM 0 HD1 TRP A 55 20.690 2.228 -20.107 1.00 0.75 H new ATOM 0 HE1 TRP A 55 19.337 2.983 -22.104 1.00 0.79 H new ATOM 0 HE3 TRP A 55 20.804 -1.991 -22.852 1.00 0.60 H new ATOM 0 HZ2 TRP A 55 18.391 1.936 -24.606 1.00 0.80 H new ATOM 0 HZ3 TRP A 55 19.671 -2.119 -25.049 1.00 0.65 H new ATOM 0 HH2 TRP A 55 18.471 -0.142 -25.932 1.00 0.76 H new ATOM 883 N ASP A 56 20.846 -3.392 -20.007 1.00 0.44 N ATOM 884 CA ASP A 56 20.353 -4.780 -20.285 1.00 0.34 C ATOM 885 C ASP A 56 19.236 -5.095 -19.306 1.00 0.17 C ATOM 886 O ASP A 56 18.087 -5.211 -19.669 1.00 0.20 O ATOM 887 CB ASP A 56 21.564 -5.733 -20.082 1.00 0.60 C ATOM 888 CG ASP A 56 22.162 -6.222 -21.365 1.00 1.40 C ATOM 889 OD1 ASP A 56 21.453 -6.718 -22.214 1.00 1.72 O ATOM 890 OD2 ASP A 56 23.357 -6.068 -21.451 1.00 1.74 O ATOM 0 H ASP A 56 21.840 -3.275 -20.205 1.00 0.44 H new ATOM 0 HA ASP A 56 19.961 -4.891 -21.296 1.00 0.34 H new ATOM 0 HB2 ASP A 56 22.331 -5.215 -19.507 1.00 0.60 H new ATOM 0 HB3 ASP A 56 21.246 -6.590 -19.489 1.00 0.60 H new ATOM 895 N ALA A 57 19.682 -5.190 -18.080 1.00 0.14 N ATOM 896 CA ALA A 57 18.826 -5.486 -16.900 1.00 0.10 C ATOM 897 C ALA A 57 17.437 -4.825 -16.991 1.00 0.13 C ATOM 898 O ALA A 57 16.463 -5.412 -16.578 1.00 0.24 O ATOM 899 CB ALA A 57 19.615 -5.003 -15.678 1.00 0.20 C ATOM 0 H ALA A 57 20.666 -5.066 -17.841 1.00 0.14 H new ATOM 0 HA ALA A 57 18.612 -6.553 -16.838 1.00 0.10 H new ATOM 0 HB1 ALA A 57 19.037 -5.193 -14.773 1.00 0.20 H new ATOM 0 HB2 ALA A 57 20.563 -5.538 -15.622 1.00 0.20 H new ATOM 0 HB3 ALA A 57 19.807 -3.934 -15.768 1.00 0.20 H new ATOM 905 N TRP A 58 17.385 -3.620 -17.510 1.00 0.12 N ATOM 906 CA TRP A 58 16.101 -2.845 -17.674 1.00 0.15 C ATOM 907 C TRP A 58 15.513 -2.933 -19.117 1.00 0.30 C ATOM 908 O TRP A 58 14.314 -2.990 -19.301 1.00 0.34 O ATOM 909 CB TRP A 58 16.381 -1.367 -17.282 1.00 0.05 C ATOM 910 CG TRP A 58 15.110 -0.494 -17.411 1.00 0.13 C ATOM 911 CD1 TRP A 58 13.813 -0.940 -17.388 1.00 0.13 C ATOM 912 CD2 TRP A 58 15.105 0.850 -17.561 1.00 0.26 C ATOM 913 NE1 TRP A 58 13.115 0.175 -17.531 1.00 0.26 N ATOM 914 CE2 TRP A 58 13.797 1.295 -17.639 1.00 0.34 C ATOM 915 CE3 TRP A 58 16.144 1.772 -17.655 1.00 0.35 C ATOM 916 CZ2 TRP A 58 13.508 2.641 -17.798 1.00 0.49 C ATOM 917 CZ3 TRP A 58 15.855 3.135 -17.822 1.00 0.50 C ATOM 918 CH2 TRP A 58 14.537 3.569 -17.891 1.00 0.58 C ATOM 0 H TRP A 58 18.210 -3.119 -17.841 1.00 0.12 H new ATOM 0 HA TRP A 58 15.345 -3.285 -17.023 1.00 0.15 H new ATOM 0 HB2 TRP A 58 16.750 -1.325 -16.257 1.00 0.05 H new ATOM 0 HB3 TRP A 58 17.167 -0.963 -17.920 1.00 0.05 H new ATOM 0 HD1 TRP A 58 13.451 -1.952 -17.280 1.00 0.13 H new ATOM 0 HE1 TRP A 58 12.095 0.167 -17.556 1.00 0.26 H new ATOM 0 HE3 TRP A 58 17.170 1.439 -17.600 1.00 0.35 H new ATOM 0 HZ2 TRP A 58 12.480 2.969 -17.850 1.00 0.49 H new ATOM 0 HZ3 TRP A 58 16.661 3.850 -17.897 1.00 0.50 H new ATOM 0 HH2 TRP A 58 14.315 4.618 -18.016 1.00 0.58 H new ATOM 929 N ASN A 59 16.356 -2.964 -20.111 1.00 0.34 N ATOM 930 CA ASN A 59 15.926 -3.042 -21.543 1.00 0.46 C ATOM 931 C ASN A 59 15.095 -4.328 -21.590 1.00 0.56 C ATOM 932 O ASN A 59 13.969 -4.340 -22.044 1.00 0.60 O ATOM 933 CB ASN A 59 17.169 -3.161 -22.454 1.00 0.47 C ATOM 934 CG ASN A 59 16.740 -3.045 -23.920 1.00 0.71 C ATOM 935 OD1 ASN A 59 16.499 -1.984 -24.449 1.00 1.45 O ATOM 936 ND2 ASN A 59 16.617 -4.106 -24.640 1.00 0.97 N ATOM 0 H ASN A 59 17.368 -2.937 -19.987 1.00 0.34 H new ATOM 0 HA ASN A 59 15.371 -2.168 -21.883 1.00 0.46 H new ATOM 0 HB2 ASN A 59 17.888 -2.378 -22.211 1.00 0.47 H new ATOM 0 HB3 ASN A 59 17.668 -4.115 -22.284 1.00 0.47 H new ATOM 0 HD21 ASN A 59 16.327 -4.030 -25.615 1.00 0.97 H new ATOM 0 HD22 ASN A 59 16.810 -5.022 -24.235 1.00 0.97 H new ATOM 943 N GLU A 60 15.684 -5.367 -21.068 1.00 0.64 N ATOM 944 CA GLU A 60 15.019 -6.690 -21.036 1.00 0.89 C ATOM 945 C GLU A 60 13.691 -6.704 -20.262 1.00 0.77 C ATOM 946 O GLU A 60 13.020 -7.715 -20.261 1.00 0.89 O ATOM 947 CB GLU A 60 16.063 -7.688 -20.444 1.00 1.26 C ATOM 948 CG GLU A 60 17.356 -7.667 -21.352 1.00 3.40 C ATOM 949 CD GLU A 60 17.023 -7.699 -22.847 1.00 5.68 C ATOM 950 OE1 GLU A 60 16.497 -8.712 -23.282 1.00 5.97 O ATOM 951 OE2 GLU A 60 17.324 -6.670 -23.443 1.00 7.72 O ATOM 0 H GLU A 60 16.617 -5.350 -20.655 1.00 0.64 H new ATOM 0 HA GLU A 60 14.722 -6.977 -22.045 1.00 0.89 H new ATOM 0 HB2 GLU A 60 16.315 -7.408 -19.421 1.00 1.26 H new ATOM 0 HB3 GLU A 60 15.645 -8.694 -20.406 1.00 1.26 H new ATOM 0 HG2 GLU A 60 17.937 -6.771 -21.131 1.00 3.40 H new ATOM 0 HG3 GLU A 60 17.984 -8.523 -21.104 1.00 3.40 H new ATOM 958 N LEU A 61 13.340 -5.616 -19.623 1.00 0.57 N ATOM 959 CA LEU A 61 12.050 -5.521 -18.845 1.00 0.59 C ATOM 960 C LEU A 61 11.147 -4.439 -19.462 1.00 0.52 C ATOM 961 O LEU A 61 10.008 -4.269 -19.056 1.00 0.98 O ATOM 962 CB LEU A 61 12.268 -5.093 -17.371 1.00 0.58 C ATOM 963 CG LEU A 61 13.402 -5.834 -16.685 1.00 0.62 C ATOM 964 CD1 LEU A 61 13.403 -5.411 -15.213 1.00 0.64 C ATOM 965 CD2 LEU A 61 13.196 -7.334 -16.789 1.00 0.81 C ATOM 0 H LEU A 61 13.903 -4.765 -19.603 1.00 0.57 H new ATOM 0 HA LEU A 61 11.607 -6.516 -18.882 1.00 0.59 H new ATOM 0 HB2 LEU A 61 12.472 -4.023 -17.338 1.00 0.58 H new ATOM 0 HB3 LEU A 61 11.346 -5.259 -16.813 1.00 0.58 H new ATOM 0 HG LEU A 61 14.353 -5.592 -17.160 1.00 0.62 H new ATOM 0 HD11 LEU A 61 14.207 -5.925 -14.687 1.00 0.64 H new ATOM 0 HD12 LEU A 61 13.555 -4.334 -15.144 1.00 0.64 H new ATOM 0 HD13 LEU A 61 12.447 -5.672 -14.759 1.00 0.64 H new ATOM 0 HD21 LEU A 61 14.018 -7.849 -16.292 1.00 0.81 H new ATOM 0 HD22 LEU A 61 12.255 -7.606 -16.311 1.00 0.81 H new ATOM 0 HD23 LEU A 61 13.167 -7.625 -17.839 1.00 0.81 H new ATOM 977 N LYS A 62 11.676 -3.736 -20.427 1.00 0.11 N ATOM 978 CA LYS A 62 10.931 -2.644 -21.125 1.00 0.20 C ATOM 979 C LYS A 62 9.466 -3.070 -21.414 1.00 0.64 C ATOM 980 O LYS A 62 9.252 -4.042 -22.107 1.00 2.65 O ATOM 981 CB LYS A 62 11.823 -2.354 -22.382 1.00 0.24 C ATOM 982 CG LYS A 62 11.069 -1.443 -23.377 1.00 0.38 C ATOM 983 CD LYS A 62 10.348 -2.381 -24.404 1.00 0.50 C ATOM 984 CE LYS A 62 8.951 -1.885 -24.764 1.00 1.44 C ATOM 985 NZ LYS A 62 9.103 -0.642 -25.567 1.00 1.61 N ATOM 0 H LYS A 62 12.625 -3.878 -20.772 1.00 0.11 H new ATOM 0 HA LYS A 62 10.793 -1.731 -20.545 1.00 0.20 H new ATOM 0 HB2 LYS A 62 12.753 -1.876 -22.074 1.00 0.24 H new ATOM 0 HB3 LYS A 62 12.092 -3.291 -22.869 1.00 0.24 H new ATOM 0 HG2 LYS A 62 10.346 -0.816 -22.854 1.00 0.38 H new ATOM 0 HG3 LYS A 62 11.761 -0.773 -23.887 1.00 0.38 H new ATOM 0 HD2 LYS A 62 10.949 -2.453 -25.310 1.00 0.50 H new ATOM 0 HD3 LYS A 62 10.278 -3.386 -23.987 1.00 0.50 H new ATOM 0 HE2 LYS A 62 8.411 -2.643 -25.332 1.00 1.44 H new ATOM 0 HE3 LYS A 62 8.371 -1.689 -23.862 1.00 1.44 H new ATOM 0 HZ1 LYS A 62 8.632 0.146 -25.079 1.00 1.61 H new ATOM 0 HZ2 LYS A 62 10.113 -0.424 -25.681 1.00 1.61 H new ATOM 0 HZ3 LYS A 62 8.670 -0.778 -26.503 1.00 1.61 H new ATOM 999 N GLY A 63 8.487 -2.358 -20.905 1.00 1.25 N ATOM 1000 CA GLY A 63 7.039 -2.745 -21.147 1.00 0.87 C ATOM 1001 C GLY A 63 6.333 -3.144 -19.837 1.00 1.18 C ATOM 1002 O GLY A 63 5.132 -2.996 -19.697 1.00 2.06 O ATOM 0 H GLY A 63 8.618 -1.525 -20.332 1.00 1.25 H new ATOM 0 HA2 GLY A 63 6.510 -1.910 -21.606 1.00 0.87 H new ATOM 0 HA3 GLY A 63 6.996 -3.575 -21.852 1.00 0.87 H new ATOM 1006 N THR A 64 7.111 -3.660 -18.912 1.00 0.48 N ATOM 1007 CA THR A 64 6.549 -4.093 -17.573 1.00 0.66 C ATOM 1008 C THR A 64 5.617 -3.056 -16.936 1.00 0.69 C ATOM 1009 O THR A 64 5.758 -1.859 -17.127 1.00 0.64 O ATOM 1010 CB THR A 64 7.633 -4.330 -16.485 1.00 0.92 C ATOM 1011 OG1 THR A 64 8.579 -5.254 -16.982 1.00 1.02 O ATOM 1012 CG2 THR A 64 7.103 -5.190 -15.345 1.00 0.98 C ATOM 0 H THR A 64 8.115 -3.803 -19.020 1.00 0.48 H new ATOM 0 HA THR A 64 6.026 -5.012 -17.836 1.00 0.66 H new ATOM 0 HB THR A 64 7.983 -3.337 -16.202 1.00 0.92 H new ATOM 0 HG1 THR A 64 9.173 -4.804 -17.618 1.00 1.02 H new ATOM 0 HG21 THR A 64 7.888 -5.335 -14.603 1.00 0.98 H new ATOM 0 HG22 THR A 64 6.251 -4.693 -14.880 1.00 0.98 H new ATOM 0 HG23 THR A 64 6.789 -6.158 -15.735 1.00 0.98 H new ATOM 1020 N SER A 65 4.693 -3.556 -16.163 1.00 0.86 N ATOM 1021 CA SER A 65 3.749 -2.621 -15.492 1.00 0.94 C ATOM 1022 C SER A 65 4.484 -2.224 -14.199 1.00 0.77 C ATOM 1023 O SER A 65 4.936 -3.041 -13.423 1.00 0.75 O ATOM 1024 CB SER A 65 2.409 -3.350 -15.197 1.00 1.13 C ATOM 1025 OG SER A 65 1.868 -3.658 -16.485 1.00 3.44 O ATOM 0 H SER A 65 4.552 -4.548 -15.970 1.00 0.86 H new ATOM 0 HA SER A 65 3.490 -1.749 -16.093 1.00 0.94 H new ATOM 0 HB2 SER A 65 2.572 -4.254 -14.610 1.00 1.13 H new ATOM 0 HB3 SER A 65 1.732 -2.716 -14.625 1.00 1.13 H new ATOM 0 HG SER A 65 1.014 -4.126 -16.378 1.00 3.44 H new ATOM 1031 N LYS A 66 4.601 -0.942 -13.981 1.00 0.66 N ATOM 1032 CA LYS A 66 5.300 -0.396 -12.767 1.00 0.45 C ATOM 1033 C LYS A 66 5.138 -1.247 -11.492 1.00 0.28 C ATOM 1034 O LYS A 66 6.075 -1.701 -10.870 1.00 0.05 O ATOM 1035 CB LYS A 66 4.768 1.077 -12.627 1.00 0.57 C ATOM 1036 CG LYS A 66 5.387 1.895 -13.808 1.00 0.65 C ATOM 1037 CD LYS A 66 4.868 3.344 -13.822 1.00 0.64 C ATOM 1038 CE LYS A 66 3.581 3.526 -14.639 1.00 2.26 C ATOM 1039 NZ LYS A 66 3.956 3.441 -16.095 1.00 1.88 N ATOM 0 H LYS A 66 4.233 -0.226 -14.608 1.00 0.66 H new ATOM 0 HA LYS A 66 6.382 -0.422 -12.897 1.00 0.45 H new ATOM 0 HB2 LYS A 66 3.679 1.100 -12.669 1.00 0.57 H new ATOM 0 HB3 LYS A 66 5.059 1.504 -11.667 1.00 0.57 H new ATOM 0 HG2 LYS A 66 6.473 1.897 -13.721 1.00 0.65 H new ATOM 0 HG3 LYS A 66 5.144 1.411 -14.754 1.00 0.65 H new ATOM 0 HD2 LYS A 66 4.687 3.666 -12.797 1.00 0.64 H new ATOM 0 HD3 LYS A 66 5.642 3.995 -14.229 1.00 0.64 H new ATOM 0 HE2 LYS A 66 2.853 2.756 -14.385 1.00 2.26 H new ATOM 0 HE3 LYS A 66 3.118 4.488 -14.417 1.00 2.26 H new ATOM 0 HZ1 LYS A 66 3.371 4.104 -16.643 1.00 1.88 H new ATOM 0 HZ2 LYS A 66 4.960 3.688 -16.210 1.00 1.88 H new ATOM 0 HZ3 LYS A 66 3.797 2.472 -16.439 1.00 1.88 H new ATOM 1053 N GLU A 67 3.901 -1.426 -11.168 1.00 0.53 N ATOM 1054 CA GLU A 67 3.412 -2.209 -9.993 1.00 0.50 C ATOM 1055 C GLU A 67 4.085 -3.567 -9.707 1.00 0.43 C ATOM 1056 O GLU A 67 4.287 -3.974 -8.578 1.00 0.53 O ATOM 1057 CB GLU A 67 1.918 -2.384 -10.239 1.00 0.62 C ATOM 1058 CG GLU A 67 1.072 -1.122 -9.785 1.00 0.60 C ATOM 1059 CD GLU A 67 1.131 -0.855 -8.268 1.00 2.15 C ATOM 1060 OE1 GLU A 67 1.159 -1.832 -7.531 1.00 3.01 O ATOM 1061 OE2 GLU A 67 1.136 0.319 -7.946 1.00 3.91 O ATOM 0 H GLU A 67 3.138 -1.028 -11.716 1.00 0.53 H new ATOM 0 HA GLU A 67 3.668 -1.652 -9.092 1.00 0.50 H new ATOM 0 HB2 GLU A 67 1.748 -2.568 -11.300 1.00 0.62 H new ATOM 0 HB3 GLU A 67 1.566 -3.265 -9.702 1.00 0.62 H new ATOM 0 HG2 GLU A 67 1.435 -0.241 -10.315 1.00 0.60 H new ATOM 0 HG3 GLU A 67 0.033 -1.266 -10.080 1.00 0.60 H new ATOM 1068 N ASP A 68 4.402 -4.246 -10.754 1.00 0.50 N ATOM 1069 CA ASP A 68 5.050 -5.581 -10.736 1.00 0.39 C ATOM 1070 C ASP A 68 6.461 -5.492 -10.212 1.00 0.14 C ATOM 1071 O ASP A 68 6.928 -6.214 -9.345 1.00 0.20 O ATOM 1072 CB ASP A 68 5.083 -6.056 -12.158 1.00 0.88 C ATOM 1073 CG ASP A 68 3.907 -5.692 -13.056 1.00 2.34 C ATOM 1074 OD1 ASP A 68 2.856 -5.305 -12.560 1.00 1.91 O ATOM 1075 OD2 ASP A 68 4.171 -5.834 -14.240 1.00 4.34 O ATOM 0 H ASP A 68 4.225 -3.904 -11.699 1.00 0.50 H new ATOM 0 HA ASP A 68 4.498 -6.261 -10.087 1.00 0.39 H new ATOM 0 HB2 ASP A 68 5.990 -5.667 -12.620 1.00 0.88 H new ATOM 0 HB3 ASP A 68 5.172 -7.142 -12.146 1.00 0.88 H new ATOM 1080 N ALA A 69 7.031 -4.501 -10.829 1.00 0.26 N ATOM 1081 CA ALA A 69 8.442 -4.132 -10.572 1.00 0.23 C ATOM 1082 C ALA A 69 8.425 -3.799 -9.092 1.00 0.24 C ATOM 1083 O ALA A 69 9.262 -4.274 -8.358 1.00 0.43 O ATOM 1084 CB ALA A 69 8.797 -2.928 -11.381 1.00 0.42 C ATOM 0 H ALA A 69 6.562 -3.916 -11.520 1.00 0.26 H new ATOM 0 HA ALA A 69 9.165 -4.905 -10.831 1.00 0.23 H new ATOM 0 HB1 ALA A 69 9.835 -2.656 -11.192 1.00 0.42 H new ATOM 0 HB2 ALA A 69 8.667 -3.150 -12.440 1.00 0.42 H new ATOM 0 HB3 ALA A 69 8.148 -2.098 -11.102 1.00 0.42 H new ATOM 1090 N MET A 70 7.478 -2.984 -8.705 1.00 0.21 N ATOM 1091 CA MET A 70 7.378 -2.615 -7.276 1.00 0.17 C ATOM 1092 C MET A 70 7.328 -3.867 -6.417 1.00 0.21 C ATOM 1093 O MET A 70 8.195 -3.999 -5.589 1.00 0.31 O ATOM 1094 CB MET A 70 6.101 -1.733 -7.107 1.00 0.18 C ATOM 1095 CG MET A 70 6.189 -0.435 -7.957 1.00 0.22 C ATOM 1096 SD MET A 70 4.691 0.573 -8.053 1.00 0.37 S ATOM 1097 CE MET A 70 5.356 1.971 -8.992 1.00 0.59 C ATOM 0 H MET A 70 6.778 -2.565 -9.317 1.00 0.21 H new ATOM 0 HA MET A 70 8.250 -2.048 -6.950 1.00 0.17 H new ATOM 0 HB2 MET A 70 5.221 -2.304 -7.403 1.00 0.18 H new ATOM 0 HB3 MET A 70 5.973 -1.473 -6.056 1.00 0.18 H new ATOM 0 HG2 MET A 70 6.990 0.183 -7.553 1.00 0.22 H new ATOM 0 HG3 MET A 70 6.480 -0.711 -8.971 1.00 0.22 H new ATOM 0 HE1 MET A 70 4.594 2.347 -9.674 1.00 0.59 H new ATOM 0 HE2 MET A 70 5.650 2.764 -8.305 1.00 0.59 H new ATOM 0 HE3 MET A 70 6.225 1.645 -9.563 1.00 0.59 H new ATOM 1107 N LYS A 71 6.379 -4.749 -6.593 1.00 0.18 N ATOM 1108 CA LYS A 71 6.375 -5.965 -5.722 1.00 0.25 C ATOM 1109 C LYS A 71 7.763 -6.643 -5.607 1.00 0.28 C ATOM 1110 O LYS A 71 8.358 -6.686 -4.543 1.00 0.30 O ATOM 1111 CB LYS A 71 5.266 -6.859 -6.329 1.00 0.45 C ATOM 1112 CG LYS A 71 3.976 -6.198 -5.798 1.00 0.75 C ATOM 1113 CD LYS A 71 2.757 -6.484 -6.684 1.00 1.31 C ATOM 1114 CE LYS A 71 1.698 -5.437 -6.297 1.00 0.84 C ATOM 1115 NZ LYS A 71 2.120 -4.124 -6.874 1.00 0.93 N ATOM 0 H LYS A 71 5.627 -4.687 -7.280 1.00 0.18 H new ATOM 0 HA LYS A 71 6.163 -5.731 -4.679 1.00 0.25 H new ATOM 0 HB2 LYS A 71 5.300 -6.865 -7.418 1.00 0.45 H new ATOM 0 HB3 LYS A 71 5.355 -7.895 -6.002 1.00 0.45 H new ATOM 0 HG2 LYS A 71 3.778 -6.557 -4.788 1.00 0.75 H new ATOM 0 HG3 LYS A 71 4.126 -5.121 -5.730 1.00 0.75 H new ATOM 0 HD2 LYS A 71 3.015 -6.406 -7.740 1.00 1.31 H new ATOM 0 HD3 LYS A 71 2.384 -7.495 -6.521 1.00 1.31 H new ATOM 0 HE2 LYS A 71 0.719 -5.725 -6.679 1.00 0.84 H new ATOM 0 HE3 LYS A 71 1.609 -5.367 -5.213 1.00 0.84 H new ATOM 0 HZ1 LYS A 71 1.280 -3.594 -7.182 1.00 0.93 H new ATOM 0 HZ2 LYS A 71 2.630 -3.575 -6.152 1.00 0.93 H new ATOM 0 HZ3 LYS A 71 2.744 -4.288 -7.690 1.00 0.93 H new ATOM 1129 N ALA A 72 8.266 -7.151 -6.699 1.00 0.36 N ATOM 1130 CA ALA A 72 9.600 -7.809 -6.620 1.00 0.45 C ATOM 1131 C ALA A 72 10.671 -6.827 -6.097 1.00 0.54 C ATOM 1132 O ALA A 72 11.534 -7.238 -5.350 1.00 0.73 O ATOM 1133 CB ALA A 72 9.902 -8.320 -8.028 1.00 0.37 C ATOM 0 H ALA A 72 7.825 -7.141 -7.619 1.00 0.36 H new ATOM 0 HA ALA A 72 9.605 -8.637 -5.911 1.00 0.45 H new ATOM 0 HB1 ALA A 72 10.873 -8.815 -8.035 1.00 0.37 H new ATOM 0 HB2 ALA A 72 9.131 -9.029 -8.331 1.00 0.37 H new ATOM 0 HB3 ALA A 72 9.918 -7.481 -8.724 1.00 0.37 H new ATOM 1139 N TYR A 73 10.592 -5.575 -6.477 1.00 0.44 N ATOM 1140 CA TYR A 73 11.588 -4.564 -6.024 1.00 0.47 C ATOM 1141 C TYR A 73 11.586 -4.522 -4.514 1.00 0.45 C ATOM 1142 O TYR A 73 12.613 -4.733 -3.917 1.00 0.46 O ATOM 1143 CB TYR A 73 11.201 -3.202 -6.626 1.00 0.36 C ATOM 1144 CG TYR A 73 12.162 -2.121 -6.140 1.00 0.36 C ATOM 1145 CD1 TYR A 73 13.339 -1.905 -6.814 1.00 0.37 C ATOM 1146 CD2 TYR A 73 11.873 -1.354 -5.032 1.00 0.44 C ATOM 1147 CE1 TYR A 73 14.212 -0.943 -6.393 1.00 0.42 C ATOM 1148 CE2 TYR A 73 12.759 -0.386 -4.618 1.00 0.50 C ATOM 1149 CZ TYR A 73 13.926 -0.179 -5.296 1.00 0.48 C ATOM 1150 OH TYR A 73 14.791 0.795 -4.860 1.00 0.55 O ATOM 0 H TYR A 73 9.866 -5.209 -7.092 1.00 0.44 H new ATOM 0 HA TYR A 73 12.594 -4.820 -6.356 1.00 0.47 H new ATOM 0 HB2 TYR A 73 11.224 -3.257 -7.714 1.00 0.36 H new ATOM 0 HB3 TYR A 73 10.180 -2.947 -6.341 1.00 0.36 H new ATOM 0 HD1 TYR A 73 13.576 -2.500 -7.683 1.00 0.37 H new ATOM 0 HD2 TYR A 73 10.953 -1.512 -4.490 1.00 0.44 H new ATOM 0 HE1 TYR A 73 15.135 -0.785 -6.931 1.00 0.42 H new ATOM 0 HE2 TYR A 73 12.530 0.215 -3.750 1.00 0.50 H new ATOM 0 HH TYR A 73 15.352 1.092 -5.607 1.00 0.55 H new ATOM 1160 N ILE A 74 10.426 -4.254 -3.975 1.00 0.40 N ATOM 1161 CA ILE A 74 10.233 -4.170 -2.496 1.00 0.37 C ATOM 1162 C ILE A 74 10.759 -5.439 -1.839 1.00 0.42 C ATOM 1163 O ILE A 74 11.392 -5.365 -0.804 1.00 0.69 O ATOM 1164 CB ILE A 74 8.743 -3.987 -2.197 1.00 0.34 C ATOM 1165 CG1 ILE A 74 8.254 -2.647 -2.772 1.00 0.23 C ATOM 1166 CG2 ILE A 74 8.596 -3.902 -0.645 1.00 0.37 C ATOM 1167 CD1 ILE A 74 6.723 -2.614 -2.667 1.00 0.22 C ATOM 0 H ILE A 74 9.578 -4.085 -4.516 1.00 0.40 H new ATOM 0 HA ILE A 74 10.784 -3.319 -2.095 1.00 0.37 H new ATOM 0 HB ILE A 74 8.171 -4.808 -2.630 1.00 0.34 H new ATOM 0 HG12 ILE A 74 8.691 -1.814 -2.221 1.00 0.23 H new ATOM 0 HG13 ILE A 74 8.567 -2.542 -3.811 1.00 0.23 H new ATOM 0 HG21 ILE A 74 7.545 -3.771 -0.386 1.00 0.37 H new ATOM 0 HG22 ILE A 74 8.969 -4.821 -0.193 1.00 0.37 H new ATOM 0 HG23 ILE A 74 9.171 -3.055 -0.271 1.00 0.37 H new ATOM 0 HD11 ILE A 74 6.351 -1.672 -3.069 1.00 0.22 H new ATOM 0 HD12 ILE A 74 6.301 -3.443 -3.236 1.00 0.22 H new ATOM 0 HD13 ILE A 74 6.428 -2.704 -1.622 1.00 0.22 H new ATOM 1179 N ASP A 75 10.521 -6.566 -2.463 1.00 0.22 N ATOM 1180 CA ASP A 75 11.016 -7.844 -1.863 1.00 0.28 C ATOM 1181 C ASP A 75 12.544 -7.709 -1.988 1.00 0.30 C ATOM 1182 O ASP A 75 13.197 -7.561 -0.979 1.00 0.98 O ATOM 1183 CB ASP A 75 10.440 -9.002 -2.673 1.00 0.38 C ATOM 1184 CG ASP A 75 9.590 -9.919 -1.778 1.00 1.20 C ATOM 1185 OD1 ASP A 75 10.014 -10.203 -0.666 1.00 3.14 O ATOM 1186 OD2 ASP A 75 8.552 -10.293 -2.277 1.00 0.18 O ATOM 0 H ASP A 75 10.016 -6.657 -3.344 1.00 0.22 H new ATOM 0 HA ASP A 75 10.726 -8.031 -0.829 1.00 0.28 H new ATOM 0 HB2 ASP A 75 9.830 -8.614 -3.489 1.00 0.38 H new ATOM 0 HB3 ASP A 75 11.250 -9.575 -3.125 1.00 0.38 H new ATOM 1191 N LYS A 76 13.062 -7.814 -3.194 1.00 0.57 N ATOM 1192 CA LYS A 76 14.549 -7.655 -3.413 1.00 0.36 C ATOM 1193 C LYS A 76 15.096 -6.697 -2.298 1.00 0.32 C ATOM 1194 O LYS A 76 16.001 -7.020 -1.564 1.00 0.22 O ATOM 1195 CB LYS A 76 14.763 -7.084 -4.819 1.00 0.32 C ATOM 1196 CG LYS A 76 16.093 -7.618 -5.398 1.00 0.83 C ATOM 1197 CD LYS A 76 17.293 -7.533 -4.411 1.00 1.25 C ATOM 1198 CE LYS A 76 18.478 -8.202 -5.071 1.00 2.88 C ATOM 1199 NZ LYS A 76 18.135 -9.658 -5.217 1.00 2.12 N ATOM 0 H LYS A 76 12.522 -8.003 -4.039 1.00 0.57 H new ATOM 0 HA LYS A 76 15.084 -8.603 -3.346 1.00 0.36 H new ATOM 0 HB2 LYS A 76 13.933 -7.366 -5.467 1.00 0.32 H new ATOM 0 HB3 LYS A 76 14.782 -5.995 -4.781 1.00 0.32 H new ATOM 0 HG2 LYS A 76 15.956 -8.657 -5.698 1.00 0.83 H new ATOM 0 HG3 LYS A 76 16.337 -7.056 -6.299 1.00 0.83 H new ATOM 0 HD2 LYS A 76 17.522 -6.494 -4.176 1.00 1.25 H new ATOM 0 HD3 LYS A 76 17.050 -8.026 -3.470 1.00 1.25 H new ATOM 0 HE2 LYS A 76 18.681 -7.754 -6.044 1.00 2.88 H new ATOM 0 HE3 LYS A 76 19.377 -8.076 -4.468 1.00 2.88 H new ATOM 0 HZ1 LYS A 76 18.874 -10.236 -4.768 1.00 2.12 H new ATOM 0 HZ2 LYS A 76 17.221 -9.847 -4.757 1.00 2.12 H new ATOM 0 HZ3 LYS A 76 18.071 -9.900 -6.226 1.00 2.12 H new ATOM 1213 N VAL A 77 14.535 -5.526 -2.185 1.00 0.35 N ATOM 1214 CA VAL A 77 14.957 -4.527 -1.132 1.00 0.30 C ATOM 1215 C VAL A 77 14.970 -5.279 0.221 1.00 0.15 C ATOM 1216 O VAL A 77 15.998 -5.357 0.859 1.00 0.14 O ATOM 1217 CB VAL A 77 13.943 -3.349 -1.072 1.00 0.36 C ATOM 1218 CG1 VAL A 77 14.347 -2.429 0.089 1.00 0.40 C ATOM 1219 CG2 VAL A 77 14.040 -2.504 -2.356 1.00 0.29 C ATOM 0 H VAL A 77 13.781 -5.201 -2.789 1.00 0.35 H new ATOM 0 HA VAL A 77 15.939 -4.113 -1.362 1.00 0.30 H new ATOM 0 HB VAL A 77 12.937 -3.751 -0.953 1.00 0.36 H new ATOM 0 HG11 VAL A 77 13.649 -1.594 0.151 1.00 0.40 H new ATOM 0 HG12 VAL A 77 14.325 -2.991 1.023 1.00 0.40 H new ATOM 0 HG13 VAL A 77 15.354 -2.048 -0.082 1.00 0.40 H new ATOM 0 HG21 VAL A 77 13.326 -1.682 -2.305 1.00 0.29 H new ATOM 0 HG22 VAL A 77 15.049 -2.103 -2.453 1.00 0.29 H new ATOM 0 HG23 VAL A 77 13.813 -3.128 -3.220 1.00 0.29 H new ATOM 1229 N GLU A 78 13.852 -5.815 0.633 1.00 0.10 N ATOM 1230 CA GLU A 78 13.812 -6.565 1.920 1.00 0.20 C ATOM 1231 C GLU A 78 14.974 -7.579 1.945 1.00 0.29 C ATOM 1232 O GLU A 78 15.678 -7.712 2.926 1.00 0.32 O ATOM 1233 CB GLU A 78 12.382 -7.177 1.997 1.00 0.40 C ATOM 1234 CG GLU A 78 11.646 -6.673 3.305 1.00 1.12 C ATOM 1235 CD GLU A 78 11.748 -5.180 3.639 1.00 1.56 C ATOM 1236 OE1 GLU A 78 12.334 -4.369 2.947 1.00 0.37 O ATOM 1237 OE2 GLU A 78 11.210 -4.851 4.675 1.00 3.64 O ATOM 0 H GLU A 78 12.965 -5.765 0.133 1.00 0.10 H new ATOM 0 HA GLU A 78 13.966 -5.955 2.810 1.00 0.20 H new ATOM 0 HB2 GLU A 78 11.808 -6.893 1.115 1.00 0.40 H new ATOM 0 HB3 GLU A 78 12.443 -8.265 2.001 1.00 0.40 H new ATOM 0 HG2 GLU A 78 10.590 -6.927 3.217 1.00 1.12 H new ATOM 0 HG3 GLU A 78 12.040 -7.236 4.151 1.00 1.12 H new ATOM 1244 N GLU A 79 15.146 -8.277 0.861 1.00 0.29 N ATOM 1245 CA GLU A 79 16.251 -9.278 0.761 1.00 0.23 C ATOM 1246 C GLU A 79 17.613 -8.628 1.038 1.00 0.16 C ATOM 1247 O GLU A 79 18.454 -9.129 1.756 1.00 0.15 O ATOM 1248 CB GLU A 79 16.240 -9.877 -0.657 1.00 0.26 C ATOM 1249 CG GLU A 79 15.433 -11.165 -0.670 1.00 0.56 C ATOM 1250 CD GLU A 79 16.030 -12.095 0.360 1.00 1.14 C ATOM 1251 OE1 GLU A 79 17.097 -12.570 -0.001 1.00 1.29 O ATOM 1252 OE2 GLU A 79 15.384 -12.209 1.391 1.00 2.14 O ATOM 0 H GLU A 79 14.563 -8.199 0.028 1.00 0.29 H new ATOM 0 HA GLU A 79 16.095 -10.058 1.507 1.00 0.23 H new ATOM 0 HB2 GLU A 79 15.811 -9.162 -1.359 1.00 0.26 H new ATOM 0 HB3 GLU A 79 17.260 -10.074 -0.986 1.00 0.26 H new ATOM 0 HG2 GLU A 79 14.387 -10.962 -0.441 1.00 0.56 H new ATOM 0 HG3 GLU A 79 15.460 -11.623 -1.659 1.00 0.56 H new ATOM 1259 N LEU A 80 17.777 -7.492 0.438 1.00 0.23 N ATOM 1260 CA LEU A 80 19.028 -6.705 0.576 1.00 0.18 C ATOM 1261 C LEU A 80 19.162 -6.267 2.022 1.00 0.35 C ATOM 1262 O LEU A 80 20.211 -6.368 2.604 1.00 0.48 O ATOM 1263 CB LEU A 80 18.945 -5.497 -0.358 1.00 0.12 C ATOM 1264 CG LEU A 80 19.087 -5.927 -1.814 1.00 0.13 C ATOM 1265 CD1 LEU A 80 18.750 -4.740 -2.697 1.00 0.19 C ATOM 1266 CD2 LEU A 80 20.539 -6.288 -2.074 1.00 0.25 C ATOM 0 H LEU A 80 17.074 -7.061 -0.162 1.00 0.23 H new ATOM 0 HA LEU A 80 19.902 -7.298 0.306 1.00 0.18 H new ATOM 0 HB2 LEU A 80 17.992 -4.987 -0.216 1.00 0.12 H new ATOM 0 HB3 LEU A 80 19.729 -4.783 -0.107 1.00 0.12 H new ATOM 0 HG LEU A 80 18.431 -6.773 -2.020 1.00 0.13 H new ATOM 0 HD11 LEU A 80 18.846 -5.027 -3.744 1.00 0.19 H new ATOM 0 HD12 LEU A 80 17.727 -4.419 -2.501 1.00 0.19 H new ATOM 0 HD13 LEU A 80 19.435 -3.920 -2.481 1.00 0.19 H new ATOM 0 HD21 LEU A 80 20.657 -6.598 -3.112 1.00 0.25 H new ATOM 0 HD22 LEU A 80 21.170 -5.420 -1.881 1.00 0.25 H new ATOM 0 HD23 LEU A 80 20.834 -7.105 -1.416 1.00 0.25 H new ATOM 1278 N LYS A 81 18.099 -5.774 2.562 1.00 0.37 N ATOM 1279 CA LYS A 81 18.040 -5.296 3.986 1.00 0.64 C ATOM 1280 C LYS A 81 18.642 -6.371 4.885 1.00 0.85 C ATOM 1281 O LYS A 81 19.533 -6.128 5.674 1.00 1.07 O ATOM 1282 CB LYS A 81 16.556 -5.024 4.157 1.00 0.79 C ATOM 1283 CG LYS A 81 16.085 -4.326 5.425 1.00 1.55 C ATOM 1284 CD LYS A 81 14.593 -4.018 5.091 1.00 2.36 C ATOM 1285 CE LYS A 81 13.982 -2.919 5.915 1.00 3.19 C ATOM 1286 NZ LYS A 81 12.614 -2.733 5.350 1.00 5.97 N ATOM 0 H LYS A 81 17.217 -5.672 2.061 1.00 0.37 H new ATOM 0 HA LYS A 81 18.613 -4.406 4.245 1.00 0.64 H new ATOM 0 HB2 LYS A 81 16.229 -4.424 3.308 1.00 0.79 H new ATOM 0 HB3 LYS A 81 16.035 -5.979 4.092 1.00 0.79 H new ATOM 0 HG2 LYS A 81 16.183 -4.965 6.303 1.00 1.55 H new ATOM 0 HG3 LYS A 81 16.654 -3.418 5.626 1.00 1.55 H new ATOM 0 HD2 LYS A 81 14.518 -3.749 4.037 1.00 2.36 H new ATOM 0 HD3 LYS A 81 14.008 -4.927 5.230 1.00 2.36 H new ATOM 0 HE2 LYS A 81 13.940 -3.192 6.969 1.00 3.19 H new ATOM 0 HE3 LYS A 81 14.566 -2.001 5.846 1.00 3.19 H new ATOM 0 HZ1 LYS A 81 12.172 -1.895 5.779 1.00 5.97 H new ATOM 0 HZ2 LYS A 81 12.679 -2.602 4.320 1.00 5.97 H new ATOM 0 HZ3 LYS A 81 12.036 -3.573 5.556 1.00 5.97 H new ATOM 1300 N LYS A 82 18.096 -7.539 4.672 1.00 0.79 N ATOM 1301 CA LYS A 82 18.477 -8.780 5.393 1.00 0.88 C ATOM 1302 C LYS A 82 19.962 -9.156 5.217 1.00 0.73 C ATOM 1303 O LYS A 82 20.556 -9.776 6.075 1.00 0.50 O ATOM 1304 CB LYS A 82 17.619 -9.945 4.886 1.00 0.99 C ATOM 1305 CG LYS A 82 16.105 -9.797 5.211 1.00 1.16 C ATOM 1306 CD LYS A 82 15.429 -11.108 4.712 1.00 1.34 C ATOM 1307 CE LYS A 82 13.919 -11.000 4.422 1.00 1.29 C ATOM 1308 NZ LYS A 82 13.732 -10.120 3.228 1.00 2.80 N ATOM 0 H LYS A 82 17.357 -7.684 3.984 1.00 0.79 H new ATOM 0 HA LYS A 82 18.310 -8.589 6.453 1.00 0.88 H new ATOM 0 HB2 LYS A 82 17.743 -10.032 3.807 1.00 0.99 H new ATOM 0 HB3 LYS A 82 17.986 -10.873 5.325 1.00 0.99 H new ATOM 0 HG2 LYS A 82 15.947 -9.659 6.281 1.00 1.16 H new ATOM 0 HG3 LYS A 82 15.682 -8.925 4.712 1.00 1.16 H new ATOM 0 HD2 LYS A 82 15.934 -11.435 3.803 1.00 1.34 H new ATOM 0 HD3 LYS A 82 15.584 -11.885 5.460 1.00 1.34 H new ATOM 0 HE2 LYS A 82 13.497 -11.987 4.236 1.00 1.29 H new ATOM 0 HE3 LYS A 82 13.395 -10.587 5.284 1.00 1.29 H new ATOM 0 HZ1 LYS A 82 12.885 -10.421 2.704 1.00 2.80 H new ATOM 0 HZ2 LYS A 82 13.615 -9.134 3.538 1.00 2.80 H new ATOM 0 HZ3 LYS A 82 14.565 -10.192 2.610 1.00 2.80 H new ATOM 1322 N LYS A 83 20.484 -8.769 4.090 1.00 0.96 N ATOM 1323 CA LYS A 83 21.909 -9.030 3.696 1.00 0.90 C ATOM 1324 C LYS A 83 23.000 -7.977 3.886 1.00 0.94 C ATOM 1325 O LYS A 83 24.049 -8.274 4.414 1.00 1.12 O ATOM 1326 CB LYS A 83 21.968 -9.373 2.204 1.00 0.54 C ATOM 1327 CG LYS A 83 21.147 -10.572 1.835 1.00 0.87 C ATOM 1328 CD LYS A 83 20.790 -10.475 0.311 1.00 0.81 C ATOM 1329 CE LYS A 83 20.044 -11.747 0.030 1.00 1.41 C ATOM 1330 NZ LYS A 83 19.353 -11.622 -1.282 1.00 2.12 N ATOM 0 H LYS A 83 19.957 -8.254 3.384 1.00 0.96 H new ATOM 0 HA LYS A 83 22.150 -9.813 4.415 1.00 0.90 H new ATOM 0 HB2 LYS A 83 21.623 -8.515 1.628 1.00 0.54 H new ATOM 0 HB3 LYS A 83 23.005 -9.551 1.921 1.00 0.54 H new ATOM 0 HG2 LYS A 83 21.701 -11.488 2.037 1.00 0.87 H new ATOM 0 HG3 LYS A 83 20.238 -10.610 2.436 1.00 0.87 H new ATOM 0 HD2 LYS A 83 20.178 -9.598 0.100 1.00 0.81 H new ATOM 0 HD3 LYS A 83 21.686 -10.394 -0.304 1.00 0.81 H new ATOM 0 HE2 LYS A 83 20.732 -12.592 0.014 1.00 1.41 H new ATOM 0 HE3 LYS A 83 19.319 -11.941 0.821 1.00 1.41 H new ATOM 0 HZ1 LYS A 83 18.331 -11.764 -1.151 1.00 2.12 H new ATOM 0 HZ2 LYS A 83 19.523 -10.674 -1.675 1.00 2.12 H new ATOM 0 HZ3 LYS A 83 19.721 -12.340 -1.938 1.00 2.12 H new ATOM 1344 N TYR A 84 22.726 -6.787 3.446 1.00 0.96 N ATOM 1345 CA TYR A 84 23.701 -5.682 3.529 1.00 1.41 C ATOM 1346 C TYR A 84 23.764 -4.709 4.689 1.00 2.41 C ATOM 1347 O TYR A 84 24.838 -4.159 4.838 1.00 3.98 O ATOM 1348 CB TYR A 84 23.536 -4.933 2.186 1.00 1.44 C ATOM 1349 CG TYR A 84 23.866 -5.866 0.994 1.00 1.15 C ATOM 1350 CD1 TYR A 84 22.904 -6.679 0.429 1.00 2.76 C ATOM 1351 CD2 TYR A 84 25.140 -5.907 0.469 1.00 2.30 C ATOM 1352 CE1 TYR A 84 23.208 -7.512 -0.636 1.00 2.84 C ATOM 1353 CE2 TYR A 84 25.436 -6.749 -0.602 1.00 2.12 C ATOM 1354 CZ TYR A 84 24.471 -7.554 -1.163 1.00 1.04 C ATOM 1355 OH TYR A 84 24.728 -8.375 -2.247 1.00 1.14 O ATOM 0 H TYR A 84 21.836 -6.530 3.019 1.00 0.96 H new ATOM 0 HA TYR A 84 24.650 -6.176 3.737 1.00 1.41 H new ATOM 0 HB2 TYR A 84 22.515 -4.564 2.093 1.00 1.44 H new ATOM 0 HB3 TYR A 84 24.193 -4.063 2.166 1.00 1.44 H new ATOM 0 HD1 TYR A 84 21.899 -6.666 0.823 1.00 2.76 H new ATOM 0 HD2 TYR A 84 25.914 -5.283 0.890 1.00 2.30 H new ATOM 0 HE1 TYR A 84 22.436 -8.139 -1.057 1.00 2.84 H new ATOM 0 HE2 TYR A 84 26.440 -6.770 -0.998 1.00 2.12 H new ATOM 0 HH TYR A 84 23.924 -8.891 -2.464 1.00 1.14 H new ATOM 1365 N GLY A 85 22.717 -4.460 5.443 1.00 1.64 N ATOM 1366 CA GLY A 85 22.939 -3.488 6.566 1.00 2.84 C ATOM 1367 C GLY A 85 22.351 -2.110 6.391 1.00 2.73 C ATOM 1368 O GLY A 85 22.765 -1.326 5.561 1.00 3.71 O ATOM 0 H GLY A 85 21.781 -4.854 5.345 1.00 1.64 H new ATOM 0 HA2 GLY A 85 22.528 -3.921 7.478 1.00 2.84 H new ATOM 0 HA3 GLY A 85 24.013 -3.383 6.719 1.00 2.84 H new ATOM 1372 N ILE A 86 21.388 -1.890 7.221 1.00 2.10 N ATOM 1373 CA ILE A 86 20.607 -0.619 7.313 1.00 1.70 C ATOM 1374 C ILE A 86 20.206 -0.447 8.798 1.00 1.98 C ATOM 1375 O ILE A 86 20.106 -1.483 9.441 1.00 2.38 O ATOM 1376 CB ILE A 86 19.372 -0.732 6.420 1.00 0.66 C ATOM 1377 CG1 ILE A 86 18.565 0.598 6.496 1.00 0.66 C ATOM 1378 CG2 ILE A 86 18.464 -1.913 6.851 1.00 1.16 C ATOM 1379 CD1 ILE A 86 17.356 0.666 5.509 1.00 1.23 C ATOM 1380 OXT ILE A 86 20.014 0.686 9.208 1.00 1.92 O ATOM 0 H ILE A 86 21.082 -2.591 7.895 1.00 2.10 H new ATOM 0 HA ILE A 86 21.185 0.243 6.980 1.00 1.70 H new ATOM 0 HB ILE A 86 19.703 -0.918 5.398 1.00 0.66 H new ATOM 0 HG12 ILE A 86 18.198 0.730 7.514 1.00 0.66 H new ATOM 0 HG13 ILE A 86 19.237 1.431 6.289 1.00 0.66 H new ATOM 0 HG21 ILE A 86 17.596 -1.963 6.194 1.00 1.16 H new ATOM 0 HG22 ILE A 86 19.024 -2.846 6.784 1.00 1.16 H new ATOM 0 HG23 ILE A 86 18.133 -1.761 7.878 1.00 1.16 H new ATOM 0 HD11 ILE A 86 16.846 1.623 5.624 1.00 1.23 H new ATOM 0 HD12 ILE A 86 17.716 0.567 4.485 1.00 1.23 H new ATOM 0 HD13 ILE A 86 16.661 -0.144 5.729 1.00 1.23 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 16.451 2.298 -6.619 1.00 0.21 N HETATM 1394 C2A COA A 87 17.090 2.157 -7.783 1.00 0.36 C HETATM 1395 N3A COA A 87 17.614 3.112 -8.547 1.00 0.75 N HETATM 1396 C4A COA A 87 17.433 4.350 -8.015 1.00 0.90 C HETATM 1397 C5A COA A 87 16.802 4.657 -6.840 1.00 0.70 C HETATM 1398 C6A COA A 87 16.292 3.542 -6.121 1.00 0.35 C HETATM 1399 N6A COA A 87 15.669 3.615 -4.957 1.00 0.36 N HETATM 1400 N7A COA A 87 16.822 6.031 -6.630 1.00 0.94 N HETATM 1401 C8A COA A 87 17.467 6.489 -7.676 1.00 1.27 C HETATM 1402 N9A COA A 87 17.863 5.525 -8.550 1.00 1.27 N HETATM 1403 C1B COA A 87 18.631 5.645 -9.789 1.00 1.61 C HETATM 1404 C2B COA A 87 18.829 7.052 -10.343 1.00 1.37 C HETATM 1405 O2B COA A 87 17.806 7.355 -11.301 1.00 1.80 O HETATM 1406 C3B COA A 87 20.171 6.875 -11.033 1.00 1.49 C HETATM 1407 O3B COA A 87 20.060 6.066 -12.258 1.00 2.06 O HETATM 1408 P3B COA A 87 19.953 6.645 -13.768 1.00 2.12 P HETATM 1409 O7A COA A 87 18.837 7.608 -13.665 1.00 2.85 O HETATM 1410 O8A COA A 87 21.287 7.194 -14.046 1.00 2.81 O HETATM 1411 O9A COA A 87 19.545 5.469 -14.574 1.00 3.19 O HETATM 1412 C4B COA A 87 20.893 6.043 -9.958 1.00 1.54 C HETATM 1413 O4B COA A 87 19.917 5.178 -9.398 1.00 1.69 O HETATM 1414 C5B COA A 87 21.522 6.856 -8.755 1.00 1.19 C HETATM 1415 O5B COA A 87 20.638 7.631 -7.902 1.00 0.77 O HETATM 1416 P1A COA A 87 20.880 9.212 -7.636 1.00 0.87 P HETATM 1417 O1A COA A 87 20.556 9.904 -8.898 1.00 2.53 O HETATM 1418 O2A COA A 87 22.228 9.383 -7.062 1.00 1.29 O HETATM 1419 O3A COA A 87 19.753 9.565 -6.608 1.00 2.60 O HETATM 1420 P2A COA A 87 20.179 9.826 -5.134 1.00 1.91 P HETATM 1421 O4A COA A 87 21.235 10.855 -5.061 1.00 1.51 O HETATM 1422 O5A COA A 87 18.910 10.089 -4.421 1.00 1.67 O HETATM 1423 O6A COA A 87 20.644 8.429 -4.407 1.00 2.51 O HETATM 1424 CBP COA A 87 22.760 7.005 -4.276 1.00 1.14 C HETATM 1425 CCP COA A 87 21.927 8.236 -3.752 1.00 0.99 C HETATM 1426 CDP COA A 87 23.247 7.263 -5.689 1.00 1.09 C HETATM 1427 CEP COA A 87 21.845 5.779 -4.303 1.00 1.39 C HETATM 1428 CAP COA A 87 24.023 6.778 -3.410 1.00 1.11 C HETATM 1429 OAP COA A 87 24.724 5.719 -4.064 1.00 2.78 O HETATM 1430 C9P COA A 87 23.654 6.331 -1.988 1.00 1.28 C HETATM 1431 O9P COA A 87 23.142 7.039 -1.144 1.00 1.61 O HETATM 1432 N8P COA A 87 23.946 5.071 -1.842 1.00 1.22 N HETATM 1433 C7P COA A 87 23.738 4.284 -0.610 1.00 1.39 C HETATM 1434 C6P COA A 87 25.161 3.883 -0.174 1.00 1.71 C HETATM 1435 C5P COA A 87 26.291 4.401 -1.086 1.00 2.09 C HETATM 1436 O5P COA A 87 26.740 5.519 -0.950 1.00 3.67 O HETATM 1437 N4P COA A 87 26.697 3.561 -2.003 1.00 1.56 N HETATM 1438 C3P COA A 87 27.790 3.915 -2.965 1.00 2.32 C HETATM 1439 C2P COA A 87 27.203 4.044 -4.380 1.00 2.13 C HETATM 1440 S1P COA A 87 26.303 2.652 -5.130 1.00 1.25 S HETATM 0 HO2A COA A 87 18.217 7.712 -12.116 1.00 1.80 H new HETATM 0 H62A COA A 87 15.512 4.522 -4.518 1.00 0.36 H new HETATM 0 H61A COA A 87 15.345 2.764 -4.498 1.00 0.36 H new HETATM 0 H52A COA A 87 22.057 6.149 -8.121 1.00 1.19 H new HETATM 0 H51A COA A 87 22.265 7.538 -9.169 1.00 1.19 H new HETATM 0 H143 COA A 87 21.476 5.578 -3.297 1.00 1.39 H new HETATM 0 H142 COA A 87 21.002 5.969 -4.968 1.00 1.39 H new HETATM 0 H141 COA A 87 22.404 4.916 -4.663 1.00 1.39 H new HETATM 0 H133 COA A 87 22.391 7.419 -6.346 1.00 1.09 H new HETATM 0 H132 COA A 87 23.879 8.151 -5.700 1.00 1.09 H new HETATM 0 H131 COA A 87 23.821 6.405 -6.038 1.00 1.09 H new HETATM 0 H122 COA A 87 22.523 9.140 -3.879 1.00 0.99 H new HETATM 0 H121 COA A 87 21.758 8.113 -2.682 1.00 0.99 H new HETATM 0 HO1 COA A 87 25.355 6.096 -4.712 1.00 2.78 H new HETATM 0 HN8 COA A 87 24.351 4.588 -2.644 1.00 1.22 H new HETATM 0 HN4 COA A 87 26.259 2.642 -2.065 1.00 1.56 H new HETATM 0 H8A COA A 87 17.668 7.549 -7.831 1.00 1.27 H new HETATM 0 H72 COA A 87 23.237 4.872 0.159 1.00 1.39 H new HETATM 0 H71 COA A 87 23.117 3.408 -0.797 1.00 1.39 H new HETATM 0 H62 COA A 87 25.333 4.252 0.837 1.00 1.71 H new HETATM 0 H61 COA A 87 25.219 2.795 -0.131 1.00 1.71 H new HETATM 0 H4B COA A 87 21.728 5.554 -10.460 1.00 1.54 H new HETATM 0 H3B COA A 87 20.641 7.809 -11.341 1.00 1.49 H new HETATM 0 H32 COA A 87 28.261 4.852 -2.668 1.00 2.32 H new HETATM 0 H31 COA A 87 28.565 3.149 -2.949 1.00 2.32 H new HETATM 0 H2B COA A 87 18.790 7.855 -9.607 1.00 1.37 H new HETATM 0 H2A COA A 87 17.195 1.137 -8.152 1.00 0.36 H new HETATM 0 H22 COA A 87 26.527 4.899 -4.372 1.00 2.13 H new HETATM 0 H21 COA A 87 28.026 4.294 -5.049 1.00 2.13 H new HETATM 0 H1B COA A 87 18.102 5.112 -10.579 1.00 1.61 H new HETATM 0 H10 COA A 87 24.607 7.693 -3.316 1.00 1.11 H new HETATM 1472 C1 PLM A 88 24.576 3.195 -5.006 1.00 1.59 C HETATM 1473 O2 PLM A 88 24.050 3.983 -5.774 1.00 3.15 O HETATM 1474 C2 PLM A 88 23.839 2.542 -3.808 1.00 0.67 C HETATM 1475 C3 PLM A 88 23.362 1.057 -4.000 1.00 1.17 C HETATM 1476 C4 PLM A 88 22.043 0.865 -4.833 1.00 0.63 C HETATM 1477 C5 PLM A 88 22.124 1.415 -6.239 1.00 0.59 C HETATM 1478 C6 PLM A 88 20.768 1.234 -6.950 1.00 1.11 C HETATM 1479 C7 PLM A 88 21.054 1.203 -8.456 1.00 0.93 C HETATM 1480 C8 PLM A 88 21.754 2.522 -8.917 1.00 1.94 C HETATM 1481 C9 PLM A 88 22.524 2.257 -10.236 1.00 1.45 C HETATM 1482 CA PLM A 88 23.811 1.485 -9.898 1.00 0.52 C HETATM 1483 CB PLM A 88 24.481 0.993 -11.196 1.00 1.79 C HETATM 1484 CC PLM A 88 25.626 0.030 -10.780 1.00 0.45 C HETATM 1485 CD PLM A 88 25.062 -1.330 -10.323 1.00 1.40 C HETATM 1486 CE PLM A 88 24.664 -2.223 -11.511 1.00 0.28 C HETATM 1487 CF PLM A 88 25.821 -2.536 -12.553 1.00 0.81 C HETATM 1488 CG PLM A 88 27.146 -2.909 -11.926 1.00 1.34 C HETATM 0 HG3 PLM A 88 27.497 -2.088 -11.301 1.00 1.34 H new HETATM 0 HG2 PLM A 88 27.020 -3.803 -11.315 1.00 1.34 H new HETATM 0 HG1 PLM A 88 27.877 -3.106 -12.710 1.00 1.34 H new HETATM 0 HF2 PLM A 88 25.498 -3.351 -13.201 1.00 0.81 H new HETATM 0 HF1 PLM A 88 25.967 -1.662 -13.188 1.00 0.81 H new HETATM 0 HE2 PLM A 88 24.285 -3.168 -11.121 1.00 0.28 H new HETATM 0 HE1 PLM A 88 23.841 -1.745 -12.042 1.00 0.28 H new HETATM 0 HD2 PLM A 88 25.807 -1.845 -9.717 1.00 1.40 H new HETATM 0 HD1 PLM A 88 24.192 -1.165 -9.687 1.00 1.40 H new HETATM 0 HC2 PLM A 88 26.306 -0.117 -11.619 1.00 0.45 H new HETATM 0 HC1 PLM A 88 26.207 0.477 -9.973 1.00 0.45 H new HETATM 0 HB2 PLM A 88 23.759 0.481 -11.832 1.00 1.79 H new HETATM 0 HB1 PLM A 88 24.873 1.833 -11.770 1.00 1.79 H new HETATM 0 HA2 PLM A 88 24.496 2.127 -9.345 1.00 0.52 H new HETATM 0 HA1 PLM A 88 23.579 0.637 -9.254 1.00 0.52 H new HETATM 0 H92 PLM A 88 21.907 1.682 -10.927 1.00 1.45 H new HETATM 0 H91 PLM A 88 22.765 3.198 -10.731 1.00 1.45 H new HETATM 0 H82 PLM A 88 21.013 3.308 -9.066 1.00 1.94 H new HETATM 0 H81 PLM A 88 22.440 2.872 -8.146 1.00 1.94 H new HETATM 0 H72 PLM A 88 21.688 0.348 -8.693 1.00 0.93 H new HETATM 0 H71 PLM A 88 20.122 1.070 -9.005 1.00 0.93 H new HETATM 0 H62 PLM A 88 20.285 0.311 -6.630 1.00 1.11 H new HETATM 0 H61 PLM A 88 20.090 2.051 -6.703 1.00 1.11 H new HETATM 0 H52 PLM A 88 22.392 2.471 -6.211 1.00 0.59 H new HETATM 0 H51 PLM A 88 22.908 0.902 -6.795 1.00 0.59 H new HETATM 0 H42 PLM A 88 21.807 -0.198 -4.882 1.00 0.63 H new HETATM 0 H41 PLM A 88 21.220 1.351 -4.310 1.00 0.63 H new HETATM 0 H32 PLM A 88 24.161 0.498 -4.487 1.00 1.17 H new HETATM 0 H31 PLM A 88 23.216 0.612 -3.016 1.00 1.17 H new HETATM 0 H22 PLM A 88 24.499 2.578 -2.941 1.00 0.67 H new HETATM 0 H21 PLM A 88 22.967 3.152 -3.571 1.00 0.67 H new