USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 765 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 96 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 181 GLN : amide:sc= -2.08 X(o=-2.1,f=-1.7) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 105 CYS SG : rot 180:sc= -3.62! USER MOD Single : A 107 ASN : amide:sc= -6.21! C(o=-6.2!,f=-5.8!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 21:sc= 0.0217 USER MOD Single : A 125 LYS NZ :NH3+ -173:sc=-0.000231 (180deg=-0.0276) USER MOD Single : A 126 MET CE :methyl -142:sc= -0.213 (180deg=-3.16!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot -119:sc= -2.92! USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.172) USER MOD Single : A 150 ASN : amide:sc= -1.73 K(o=-1.7,f=-0.43) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 SER OG : rot -88:sc= 0.916 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 THR OG1 : rot 123:sc= 1.11 USER MOD Single : A 168 CYS SG : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc=-0.00326 X(o=-0.0033,f=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 89 10.664 10.122 12.154 1.00 1.92 N ATOM 2 CA ALA A 89 10.454 10.946 10.926 1.00 1.43 C ATOM 3 C ALA A 89 9.207 10.459 10.189 1.00 1.08 C ATOM 4 O ALA A 89 8.223 11.164 10.074 1.00 1.13 O ATOM 5 CB ALA A 89 11.705 10.723 10.074 1.00 1.90 C ATOM 0 HA ALA A 89 10.306 12.002 11.152 1.00 1.43 H new ATOM 0 HB1 ALA A 89 11.624 11.298 9.152 1.00 1.90 H new ATOM 0 HB2 ALA A 89 12.585 11.048 10.628 1.00 1.90 H new ATOM 0 HB3 ALA A 89 11.798 9.664 9.834 1.00 1.90 H new ATOM 11 N ALA A 90 9.246 9.248 9.709 1.00 0.96 N ATOM 12 CA ALA A 90 8.066 8.676 8.992 1.00 0.72 C ATOM 13 C ALA A 90 6.940 8.444 10.003 1.00 0.58 C ATOM 14 O ALA A 90 7.095 8.790 11.159 1.00 1.23 O ATOM 15 CB ALA A 90 8.574 7.360 8.394 1.00 1.03 C ATOM 0 H ALA A 90 10.049 8.623 9.782 1.00 0.96 H new ATOM 0 HA ALA A 90 7.666 9.327 8.214 1.00 0.72 H new ATOM 0 HB1 ALA A 90 7.766 6.873 7.848 1.00 1.03 H new ATOM 0 HB2 ALA A 90 9.401 7.565 7.713 1.00 1.03 H new ATOM 0 HB3 ALA A 90 8.917 6.705 9.195 1.00 1.03 H new ATOM 21 N PRO A 91 5.831 7.878 9.566 1.00 0.79 N ATOM 22 CA PRO A 91 4.713 7.644 10.509 1.00 1.10 C ATOM 23 C PRO A 91 5.165 6.688 11.623 1.00 0.60 C ATOM 24 O PRO A 91 5.442 5.536 11.366 1.00 0.91 O ATOM 25 CB PRO A 91 3.617 7.040 9.634 1.00 1.98 C ATOM 26 CG PRO A 91 4.343 6.468 8.466 1.00 2.18 C ATOM 27 CD PRO A 91 5.501 7.395 8.214 1.00 1.62 C ATOM 0 HA PRO A 91 4.366 8.544 11.016 1.00 1.10 H new ATOM 0 HB2 PRO A 91 3.060 6.271 10.170 1.00 1.98 H new ATOM 0 HB3 PRO A 91 2.897 7.796 9.322 1.00 1.98 H new ATOM 0 HG2 PRO A 91 4.690 5.456 8.677 1.00 2.18 H new ATOM 0 HG3 PRO A 91 3.693 6.406 7.593 1.00 2.18 H new ATOM 0 HD2 PRO A 91 6.342 6.876 7.753 1.00 1.62 H new ATOM 0 HD3 PRO A 91 5.227 8.213 7.548 1.00 1.62 H new ATOM 35 N PRO A 92 5.247 7.200 12.833 1.00 0.59 N ATOM 36 CA PRO A 92 5.694 6.362 13.971 1.00 0.84 C ATOM 37 C PRO A 92 4.738 5.180 14.198 1.00 0.71 C ATOM 38 O PRO A 92 5.131 4.158 14.727 1.00 0.83 O ATOM 39 CB PRO A 92 5.720 7.339 15.152 1.00 1.49 C ATOM 40 CG PRO A 92 4.786 8.433 14.756 1.00 1.64 C ATOM 41 CD PRO A 92 4.933 8.572 13.266 1.00 1.21 C ATOM 0 HA PRO A 92 6.666 5.897 13.810 1.00 0.84 H new ATOM 0 HB2 PRO A 92 5.396 6.856 16.074 1.00 1.49 H new ATOM 0 HB3 PRO A 92 6.726 7.721 15.329 1.00 1.49 H new ATOM 0 HG2 PRO A 92 3.759 8.189 15.027 1.00 1.64 H new ATOM 0 HG3 PRO A 92 5.037 9.365 15.263 1.00 1.64 H new ATOM 0 HD2 PRO A 92 4.018 8.941 12.803 1.00 1.21 H new ATOM 0 HD3 PRO A 92 5.728 9.270 13.003 1.00 1.21 H new ATOM 49 N GLY A 93 3.494 5.298 13.791 1.00 0.65 N ATOM 50 CA GLY A 93 2.531 4.161 13.979 1.00 0.71 C ATOM 51 C GLY A 93 2.563 3.185 12.792 1.00 0.58 C ATOM 52 O GLY A 93 1.533 2.695 12.368 1.00 0.58 O ATOM 0 H GLY A 93 3.105 6.126 13.340 1.00 0.65 H new ATOM 0 HA2 GLY A 93 2.775 3.626 14.897 1.00 0.71 H new ATOM 0 HA3 GLY A 93 1.522 4.555 14.099 1.00 0.71 H new ATOM 56 N GLU A 94 3.721 2.894 12.260 1.00 0.56 N ATOM 57 CA GLU A 94 3.806 1.945 11.102 1.00 0.55 C ATOM 58 C GLU A 94 3.467 0.513 11.504 1.00 0.49 C ATOM 59 O GLU A 94 3.143 -0.301 10.659 1.00 0.53 O ATOM 60 CB GLU A 94 5.249 2.028 10.614 1.00 0.66 C ATOM 61 CG GLU A 94 5.357 3.190 9.633 1.00 1.09 C ATOM 62 CD GLU A 94 6.806 3.682 9.526 1.00 1.10 C ATOM 63 OE1 GLU A 94 7.672 3.094 10.157 1.00 1.44 O ATOM 64 OE2 GLU A 94 7.024 4.646 8.813 1.00 1.62 O ATOM 0 H GLU A 94 4.615 3.271 12.575 1.00 0.56 H new ATOM 0 HA GLU A 94 3.086 2.216 10.330 1.00 0.55 H new ATOM 0 HB2 GLU A 94 5.926 2.177 11.455 1.00 0.66 H new ATOM 0 HB3 GLU A 94 5.541 1.095 10.131 1.00 0.66 H new ATOM 0 HG2 GLU A 94 5.001 2.877 8.651 1.00 1.09 H new ATOM 0 HG3 GLU A 94 4.714 4.008 9.959 1.00 1.09 H new ATOM 71 N ALA A 95 3.543 0.186 12.767 1.00 0.49 N ATOM 72 CA ALA A 95 3.229 -1.215 13.185 1.00 0.50 C ATOM 73 C ALA A 95 1.796 -1.582 12.797 1.00 0.38 C ATOM 74 O ALA A 95 1.564 -2.593 12.159 1.00 0.36 O ATOM 75 CB ALA A 95 3.399 -1.237 14.703 1.00 0.61 C ATOM 0 H ALA A 95 3.806 0.820 13.522 1.00 0.49 H new ATOM 0 HA ALA A 95 3.882 -1.939 12.697 1.00 0.50 H new ATOM 0 HB1 ALA A 95 3.184 -2.237 15.079 1.00 0.61 H new ATOM 0 HB2 ALA A 95 4.423 -0.966 14.958 1.00 0.61 H new ATOM 0 HB3 ALA A 95 2.711 -0.523 15.157 1.00 0.61 H new ATOM 81 N TYR A 96 0.835 -0.767 13.154 1.00 0.38 N ATOM 82 CA TYR A 96 -0.578 -1.080 12.772 1.00 0.35 C ATOM 83 C TYR A 96 -0.711 -1.037 11.248 1.00 0.28 C ATOM 84 O TYR A 96 -1.262 -1.929 10.632 1.00 0.29 O ATOM 85 CB TYR A 96 -1.435 -0.005 13.440 1.00 0.42 C ATOM 86 CG TYR A 96 -2.896 -0.351 13.273 1.00 0.73 C ATOM 87 CD1 TYR A 96 -3.381 -1.581 13.735 1.00 1.47 C ATOM 88 CD2 TYR A 96 -3.765 0.559 12.661 1.00 1.54 C ATOM 89 CE1 TYR A 96 -4.734 -1.900 13.581 1.00 1.85 C ATOM 90 CE2 TYR A 96 -5.119 0.240 12.508 1.00 1.93 C ATOM 91 CZ TYR A 96 -5.603 -0.991 12.968 1.00 1.77 C ATOM 92 OH TYR A 96 -6.936 -1.308 12.816 1.00 2.32 O ATOM 0 H TYR A 96 0.964 0.093 13.688 1.00 0.38 H new ATOM 0 HA TYR A 96 -0.891 -2.074 13.093 1.00 0.35 H new ATOM 0 HB2 TYR A 96 -1.186 0.068 14.499 1.00 0.42 H new ATOM 0 HB3 TYR A 96 -1.228 0.969 12.996 1.00 0.42 H new ATOM 0 HD1 TYR A 96 -2.711 -2.282 14.210 1.00 1.47 H new ATOM 0 HD2 TYR A 96 -3.391 1.508 12.307 1.00 1.54 H new ATOM 0 HE1 TYR A 96 -5.108 -2.849 13.936 1.00 1.85 H new ATOM 0 HE2 TYR A 96 -5.790 0.942 12.036 1.00 1.93 H new ATOM 0 HH TYR A 96 -7.400 -0.567 12.372 1.00 2.32 H new ATOM 102 N LEU A 97 -0.197 0.002 10.642 1.00 0.42 N ATOM 103 CA LEU A 97 -0.274 0.133 9.155 1.00 0.55 C ATOM 104 C LEU A 97 0.426 -1.045 8.471 1.00 0.43 C ATOM 105 O LEU A 97 -0.040 -1.550 7.465 1.00 0.35 O ATOM 106 CB LEU A 97 0.450 1.449 8.832 1.00 0.90 C ATOM 107 CG LEU A 97 0.443 1.693 7.320 1.00 0.94 C ATOM 108 CD1 LEU A 97 -0.998 1.841 6.826 1.00 1.33 C ATOM 109 CD2 LEU A 97 1.233 2.965 6.998 1.00 1.75 C ATOM 0 H LEU A 97 0.276 0.771 11.116 1.00 0.42 H new ATOM 0 HA LEU A 97 -1.304 0.133 8.800 1.00 0.55 H new ATOM 0 HB2 LEU A 97 -0.038 2.278 9.345 1.00 0.90 H new ATOM 0 HB3 LEU A 97 1.476 1.408 9.197 1.00 0.90 H new ATOM 0 HG LEU A 97 0.908 0.845 6.818 1.00 0.94 H new ATOM 0 HD11 LEU A 97 -0.998 2.014 5.750 1.00 1.33 H new ATOM 0 HD12 LEU A 97 -1.554 0.930 7.047 1.00 1.33 H new ATOM 0 HD13 LEU A 97 -1.470 2.685 7.329 1.00 1.33 H new ATOM 0 HD21 LEU A 97 1.226 3.135 5.921 1.00 1.75 H new ATOM 0 HD22 LEU A 97 0.775 3.815 7.503 1.00 1.75 H new ATOM 0 HD23 LEU A 97 2.262 2.851 7.340 1.00 1.75 H new ATOM 121 N GLN A 98 1.550 -1.470 8.993 1.00 0.47 N ATOM 122 CA GLN A 98 2.287 -2.602 8.357 1.00 0.49 C ATOM 123 C GLN A 98 1.424 -3.865 8.376 1.00 0.38 C ATOM 124 O GLN A 98 1.394 -4.615 7.418 1.00 0.39 O ATOM 125 CB GLN A 98 3.546 -2.798 9.205 1.00 0.63 C ATOM 126 CG GLN A 98 4.447 -3.835 8.539 1.00 0.57 C ATOM 127 CD GLN A 98 5.705 -4.039 9.384 1.00 1.24 C ATOM 128 OE1 GLN A 98 5.648 -4.003 10.597 1.00 2.00 O ATOM 129 NE2 GLN A 98 6.845 -4.260 8.791 1.00 2.04 N ATOM 0 H GLN A 98 1.987 -1.083 9.829 1.00 0.47 H new ATOM 0 HA GLN A 98 2.534 -2.397 7.315 1.00 0.49 H new ATOM 0 HB2 GLN A 98 4.078 -1.852 9.311 1.00 0.63 H new ATOM 0 HB3 GLN A 98 3.275 -3.126 10.209 1.00 0.63 H new ATOM 0 HG2 GLN A 98 3.913 -4.779 8.430 1.00 0.57 H new ATOM 0 HG3 GLN A 98 4.719 -3.505 7.537 1.00 0.57 H new ATOM 0 HE21 GLN A 98 6.893 -4.290 7.773 1.00 2.04 H new ATOM 0 HE22 GLN A 98 7.689 -4.403 9.346 1.00 2.04 H new ATOM 138 N VAL A 99 0.717 -4.103 9.456 1.00 0.33 N ATOM 139 CA VAL A 99 -0.150 -5.321 9.528 1.00 0.31 C ATOM 140 C VAL A 99 -1.205 -5.265 8.416 1.00 0.24 C ATOM 141 O VAL A 99 -1.386 -6.217 7.676 1.00 0.30 O ATOM 142 CB VAL A 99 -0.799 -5.277 10.918 1.00 0.32 C ATOM 143 CG1 VAL A 99 -1.793 -6.432 11.068 1.00 0.43 C ATOM 144 CG2 VAL A 99 0.290 -5.405 11.986 1.00 0.43 C ATOM 0 H VAL A 99 0.703 -3.510 10.286 1.00 0.33 H new ATOM 0 HA VAL A 99 0.409 -6.246 9.388 1.00 0.31 H new ATOM 0 HB VAL A 99 -1.328 -4.332 11.038 1.00 0.32 H new ATOM 0 HG11 VAL A 99 -2.249 -6.393 12.057 1.00 0.43 H new ATOM 0 HG12 VAL A 99 -2.569 -6.346 10.307 1.00 0.43 H new ATOM 0 HG13 VAL A 99 -1.270 -7.380 10.946 1.00 0.43 H new ATOM 0 HG21 VAL A 99 -0.166 -5.374 12.976 1.00 0.43 H new ATOM 0 HG22 VAL A 99 0.816 -6.351 11.858 1.00 0.43 H new ATOM 0 HG23 VAL A 99 0.996 -4.581 11.886 1.00 0.43 H new ATOM 154 N ALA A 100 -1.884 -4.149 8.277 1.00 0.18 N ATOM 155 CA ALA A 100 -2.905 -4.034 7.192 1.00 0.18 C ATOM 156 C ALA A 100 -2.202 -4.124 5.838 1.00 0.14 C ATOM 157 O ALA A 100 -2.621 -4.850 4.966 1.00 0.14 O ATOM 158 CB ALA A 100 -3.558 -2.663 7.383 1.00 0.24 C ATOM 0 H ALA A 100 -1.775 -3.322 8.863 1.00 0.18 H new ATOM 0 HA ALA A 100 -3.652 -4.827 7.229 1.00 0.18 H new ATOM 0 HB1 ALA A 100 -4.319 -2.513 6.618 1.00 0.24 H new ATOM 0 HB2 ALA A 100 -4.020 -2.614 8.369 1.00 0.24 H new ATOM 0 HB3 ALA A 100 -2.800 -1.884 7.299 1.00 0.24 H new ATOM 164 N PHE A 101 -1.112 -3.413 5.682 1.00 0.15 N ATOM 165 CA PHE A 101 -0.336 -3.463 4.399 1.00 0.16 C ATOM 166 C PHE A 101 0.071 -4.898 4.071 1.00 0.17 C ATOM 167 O PHE A 101 0.380 -5.197 2.947 1.00 0.20 O ATOM 168 CB PHE A 101 0.934 -2.633 4.657 1.00 0.19 C ATOM 169 CG PHE A 101 0.723 -1.126 4.488 1.00 0.25 C ATOM 170 CD1 PHE A 101 -0.537 -0.563 4.191 1.00 1.10 C ATOM 171 CD2 PHE A 101 1.832 -0.280 4.636 1.00 1.21 C ATOM 172 CE1 PHE A 101 -0.668 0.821 4.048 1.00 1.10 C ATOM 173 CE2 PHE A 101 1.694 1.103 4.491 1.00 1.26 C ATOM 174 CZ PHE A 101 0.447 1.654 4.198 1.00 0.43 C ATOM 0 H PHE A 101 -0.722 -2.795 6.393 1.00 0.15 H new ATOM 0 HA PHE A 101 -0.928 -3.085 3.566 1.00 0.16 H new ATOM 0 HB2 PHE A 101 1.289 -2.831 5.668 1.00 0.19 H new ATOM 0 HB3 PHE A 101 1.718 -2.961 3.974 1.00 0.19 H new ATOM 0 HD1 PHE A 101 -1.400 -1.202 4.074 1.00 1.10 H new ATOM 0 HD2 PHE A 101 2.800 -0.701 4.864 1.00 1.21 H new ATOM 0 HE1 PHE A 101 -1.633 1.249 3.821 1.00 1.10 H new ATOM 0 HE2 PHE A 101 2.554 1.746 4.606 1.00 1.26 H new ATOM 0 HZ PHE A 101 0.341 2.723 4.087 1.00 0.43 H new ATOM 184 N ASP A 102 0.093 -5.781 5.034 1.00 0.18 N ATOM 185 CA ASP A 102 0.506 -7.186 4.742 1.00 0.21 C ATOM 186 C ASP A 102 -0.663 -8.000 4.204 1.00 0.20 C ATOM 187 O ASP A 102 -0.559 -8.624 3.163 1.00 0.22 O ATOM 188 CB ASP A 102 0.973 -7.743 6.076 1.00 0.25 C ATOM 189 CG ASP A 102 1.653 -9.103 5.871 1.00 0.32 C ATOM 190 OD1 ASP A 102 1.359 -9.755 4.880 1.00 1.01 O ATOM 191 OD2 ASP A 102 2.459 -9.470 6.711 1.00 1.13 O ATOM 0 H ASP A 102 -0.156 -5.592 6.005 1.00 0.18 H new ATOM 0 HA ASP A 102 1.285 -7.228 3.981 1.00 0.21 H new ATOM 0 HB2 ASP A 102 1.668 -7.047 6.546 1.00 0.25 H new ATOM 0 HB3 ASP A 102 0.124 -7.850 6.751 1.00 0.25 H new ATOM 196 N ILE A 103 -1.777 -8.009 4.900 1.00 0.18 N ATOM 197 CA ILE A 103 -2.942 -8.801 4.405 1.00 0.18 C ATOM 198 C ILE A 103 -3.387 -8.269 3.049 1.00 0.17 C ATOM 199 O ILE A 103 -3.691 -9.019 2.136 1.00 0.18 O ATOM 200 CB ILE A 103 -4.066 -8.635 5.448 1.00 0.18 C ATOM 201 CG1 ILE A 103 -4.420 -7.149 5.665 1.00 0.94 C ATOM 202 CG2 ILE A 103 -3.628 -9.254 6.771 1.00 0.94 C ATOM 203 CD1 ILE A 103 -5.550 -7.022 6.697 1.00 0.87 C ATOM 0 H ILE A 103 -1.926 -7.509 5.776 1.00 0.18 H new ATOM 0 HA ILE A 103 -2.686 -9.853 4.280 1.00 0.18 H new ATOM 0 HB ILE A 103 -4.955 -9.143 5.073 1.00 0.18 H new ATOM 0 HG12 ILE A 103 -3.541 -6.604 6.008 1.00 0.94 H new ATOM 0 HG13 ILE A 103 -4.726 -6.698 4.721 1.00 0.94 H new ATOM 0 HG21 ILE A 103 -4.422 -9.137 7.508 1.00 0.94 H new ATOM 0 HG22 ILE A 103 -3.421 -10.314 6.626 1.00 0.94 H new ATOM 0 HG23 ILE A 103 -2.727 -8.754 7.126 1.00 0.94 H new ATOM 0 HD11 ILE A 103 -5.793 -5.969 6.843 1.00 0.87 H new ATOM 0 HD12 ILE A 103 -6.432 -7.551 6.337 1.00 0.87 H new ATOM 0 HD13 ILE A 103 -5.228 -7.455 7.644 1.00 0.87 H new ATOM 215 N VAL A 104 -3.422 -6.976 2.916 1.00 0.16 N ATOM 216 CA VAL A 104 -3.858 -6.370 1.628 1.00 0.16 C ATOM 217 C VAL A 104 -2.815 -6.620 0.530 1.00 0.17 C ATOM 218 O VAL A 104 -3.150 -6.893 -0.608 1.00 0.18 O ATOM 219 CB VAL A 104 -4.025 -4.874 1.921 1.00 0.16 C ATOM 220 CG1 VAL A 104 -5.032 -4.661 3.064 1.00 0.18 C ATOM 221 CG2 VAL A 104 -2.678 -4.251 2.294 1.00 0.14 C ATOM 0 H VAL A 104 -3.167 -6.309 3.645 1.00 0.16 H new ATOM 0 HA VAL A 104 -4.787 -6.806 1.261 1.00 0.16 H new ATOM 0 HB VAL A 104 -4.403 -4.388 1.022 1.00 0.16 H new ATOM 0 HG11 VAL A 104 -5.140 -3.594 3.260 1.00 0.18 H new ATOM 0 HG12 VAL A 104 -5.999 -5.077 2.780 1.00 0.18 H new ATOM 0 HG13 VAL A 104 -4.672 -5.161 3.963 1.00 0.18 H new ATOM 0 HG21 VAL A 104 -2.813 -3.189 2.499 1.00 0.14 H new ATOM 0 HG22 VAL A 104 -2.282 -4.745 3.182 1.00 0.14 H new ATOM 0 HG23 VAL A 104 -1.978 -4.375 1.467 1.00 0.14 H new ATOM 231 N CYS A 105 -1.555 -6.522 0.869 1.00 0.18 N ATOM 232 CA CYS A 105 -0.478 -6.748 -0.147 1.00 0.19 C ATOM 233 C CYS A 105 -0.551 -8.158 -0.699 1.00 0.20 C ATOM 234 O CYS A 105 -0.556 -8.359 -1.895 1.00 0.21 O ATOM 235 CB CYS A 105 0.827 -6.512 0.613 1.00 0.22 C ATOM 236 SG CYS A 105 2.252 -6.789 -0.467 1.00 0.29 S ATOM 0 H CYS A 105 -1.223 -6.295 1.806 1.00 0.18 H new ATOM 0 HA CYS A 105 -0.570 -6.085 -1.008 1.00 0.19 H new ATOM 0 HB2 CYS A 105 0.850 -5.493 1.000 1.00 0.22 H new ATOM 0 HB3 CYS A 105 0.880 -7.181 1.472 1.00 0.22 H new ATOM 0 HG CYS A 105 3.349 -6.581 0.199 1.00 0.29 H new ATOM 242 N ASP A 106 -0.620 -9.131 0.156 1.00 0.21 N ATOM 243 CA ASP A 106 -0.704 -10.529 -0.344 1.00 0.24 C ATOM 244 C ASP A 106 -2.051 -10.735 -1.060 1.00 0.25 C ATOM 245 O ASP A 106 -2.243 -11.713 -1.756 1.00 0.28 O ATOM 246 CB ASP A 106 -0.591 -11.414 0.892 1.00 0.25 C ATOM 247 CG ASP A 106 0.815 -11.291 1.488 1.00 0.27 C ATOM 248 OD1 ASP A 106 1.738 -11.013 0.738 1.00 1.05 O ATOM 249 OD2 ASP A 106 0.946 -11.475 2.687 1.00 1.05 O ATOM 0 H ASP A 106 -0.622 -9.024 1.170 1.00 0.21 H new ATOM 0 HA ASP A 106 0.080 -10.767 -1.063 1.00 0.24 H new ATOM 0 HB2 ASP A 106 -1.337 -11.120 1.631 1.00 0.25 H new ATOM 0 HB3 ASP A 106 -0.795 -12.452 0.628 1.00 0.25 H new ATOM 254 N ASN A 107 -2.983 -9.813 -0.901 1.00 0.24 N ATOM 255 CA ASN A 107 -4.306 -9.950 -1.576 1.00 0.26 C ATOM 256 C ASN A 107 -4.276 -9.301 -2.959 1.00 0.26 C ATOM 257 O ASN A 107 -4.823 -9.822 -3.914 1.00 0.29 O ATOM 258 CB ASN A 107 -5.266 -9.164 -0.687 1.00 0.25 C ATOM 259 CG ASN A 107 -6.668 -9.758 -0.810 1.00 0.29 C ATOM 260 OD1 ASN A 107 -6.913 -10.862 -0.365 1.00 1.02 O ATOM 261 ND2 ASN A 107 -7.603 -9.070 -1.402 1.00 1.23 N ATOM 0 H ASN A 107 -2.876 -8.974 -0.331 1.00 0.24 H new ATOM 0 HA ASN A 107 -4.587 -10.995 -1.708 1.00 0.26 H new ATOM 0 HB2 ASN A 107 -4.932 -9.201 0.350 1.00 0.25 H new ATOM 0 HB3 ASN A 107 -5.276 -8.115 -0.981 1.00 0.25 H new ATOM 0 HD21 ASN A 107 -8.542 -9.458 -1.492 1.00 1.23 H new ATOM 0 HD22 ASN A 107 -7.396 -8.144 -1.775 1.00 1.23 H new ATOM 268 N VAL A 108 -3.653 -8.158 -3.065 1.00 0.23 N ATOM 269 CA VAL A 108 -3.600 -7.453 -4.375 1.00 0.24 C ATOM 270 C VAL A 108 -2.454 -6.435 -4.386 1.00 0.25 C ATOM 271 O VAL A 108 -2.565 -5.371 -4.952 1.00 0.42 O ATOM 272 CB VAL A 108 -4.974 -6.781 -4.480 1.00 0.23 C ATOM 273 CG1 VAL A 108 -5.089 -5.590 -3.520 1.00 0.27 C ATOM 274 CG2 VAL A 108 -5.203 -6.309 -5.918 1.00 0.27 C ATOM 0 H VAL A 108 -3.178 -7.682 -2.298 1.00 0.23 H new ATOM 0 HA VAL A 108 -3.406 -8.114 -5.220 1.00 0.24 H new ATOM 0 HB VAL A 108 -5.734 -7.512 -4.203 1.00 0.23 H new ATOM 0 HG11 VAL A 108 -6.075 -5.136 -3.620 1.00 0.27 H new ATOM 0 HG12 VAL A 108 -4.950 -5.934 -2.495 1.00 0.27 H new ATOM 0 HG13 VAL A 108 -4.324 -4.852 -3.762 1.00 0.27 H new ATOM 0 HG21 VAL A 108 -6.180 -5.831 -5.993 1.00 0.27 H new ATOM 0 HG22 VAL A 108 -4.427 -5.595 -6.194 1.00 0.27 H new ATOM 0 HG23 VAL A 108 -5.165 -7.165 -6.592 1.00 0.27 H new ATOM 284 N GLY A 109 -1.382 -6.760 -3.708 1.00 0.24 N ATOM 285 CA GLY A 109 -0.192 -5.850 -3.576 1.00 0.22 C ATOM 286 C GLY A 109 0.048 -4.991 -4.841 1.00 0.23 C ATOM 287 O GLY A 109 0.343 -3.815 -4.751 1.00 0.21 O ATOM 0 H GLY A 109 -1.276 -7.650 -3.222 1.00 0.24 H new ATOM 0 HA2 GLY A 109 -0.336 -5.193 -2.718 1.00 0.22 H new ATOM 0 HA3 GLY A 109 0.697 -6.448 -3.374 1.00 0.22 H new ATOM 291 N ARG A 110 -0.076 -5.574 -6.010 1.00 0.27 N ATOM 292 CA ARG A 110 0.158 -4.803 -7.278 1.00 0.28 C ATOM 293 C ARG A 110 -0.764 -3.576 -7.370 1.00 0.27 C ATOM 294 O ARG A 110 -0.497 -2.636 -8.116 1.00 0.27 O ATOM 295 CB ARG A 110 -0.137 -5.790 -8.411 1.00 0.36 C ATOM 296 CG ARG A 110 1.180 -6.386 -8.935 1.00 0.55 C ATOM 297 CD ARG A 110 1.316 -7.840 -8.470 1.00 0.72 C ATOM 298 NE ARG A 110 0.702 -8.648 -9.560 1.00 1.08 N ATOM 299 CZ ARG A 110 1.230 -9.792 -9.902 1.00 1.39 C ATOM 300 NH1 ARG A 110 2.460 -9.839 -10.332 1.00 1.68 N ATOM 301 NH2 ARG A 110 0.526 -10.888 -9.816 1.00 2.06 N ATOM 0 H ARG A 110 -0.330 -6.553 -6.143 1.00 0.27 H new ATOM 0 HA ARG A 110 1.176 -4.417 -7.326 1.00 0.28 H new ATOM 0 HB2 ARG A 110 -0.790 -6.586 -8.052 1.00 0.36 H new ATOM 0 HB3 ARG A 110 -0.665 -5.284 -9.219 1.00 0.36 H new ATOM 0 HG2 ARG A 110 1.202 -6.340 -10.024 1.00 0.55 H new ATOM 0 HG3 ARG A 110 2.024 -5.799 -8.573 1.00 0.55 H new ATOM 0 HD2 ARG A 110 2.361 -8.110 -8.318 1.00 0.72 H new ATOM 0 HD3 ARG A 110 0.804 -8.001 -7.522 1.00 0.72 H new ATOM 0 HE ARG A 110 -0.131 -8.307 -10.040 1.00 1.08 H new ATOM 0 HH11 ARG A 110 3.009 -8.982 -10.401 1.00 1.68 H new ATOM 0 HH12 ARG A 110 2.873 -10.733 -10.599 1.00 1.68 H new ATOM 0 HH21 ARG A 110 -0.437 -10.851 -9.482 1.00 2.06 H new ATOM 0 HH22 ARG A 110 0.939 -11.782 -10.083 1.00 2.06 H new ATOM 315 N ASP A 111 -1.832 -3.556 -6.614 1.00 0.27 N ATOM 316 CA ASP A 111 -2.742 -2.380 -6.665 1.00 0.30 C ATOM 317 C ASP A 111 -2.023 -1.176 -6.053 1.00 0.31 C ATOM 318 O ASP A 111 -2.337 -0.042 -6.357 1.00 0.39 O ATOM 319 CB ASP A 111 -3.973 -2.769 -5.837 1.00 0.30 C ATOM 320 CG ASP A 111 -5.015 -3.436 -6.741 1.00 0.30 C ATOM 321 OD1 ASP A 111 -4.624 -4.028 -7.735 1.00 0.82 O ATOM 322 OD2 ASP A 111 -6.190 -3.338 -6.427 1.00 0.93 O ATOM 0 H ASP A 111 -2.109 -4.297 -5.970 1.00 0.27 H new ATOM 0 HA ASP A 111 -3.033 -2.112 -7.681 1.00 0.30 H new ATOM 0 HB2 ASP A 111 -3.684 -3.449 -5.036 1.00 0.30 H new ATOM 0 HB3 ASP A 111 -4.400 -1.884 -5.365 1.00 0.30 H new ATOM 327 N TRP A 112 -1.031 -1.410 -5.223 1.00 0.27 N ATOM 328 CA TRP A 112 -0.271 -0.268 -4.635 1.00 0.29 C ATOM 329 C TRP A 112 0.547 0.374 -5.745 1.00 0.32 C ATOM 330 O TRP A 112 0.733 1.569 -5.765 1.00 0.31 O ATOM 331 CB TRP A 112 0.638 -0.849 -3.546 1.00 0.29 C ATOM 332 CG TRP A 112 -0.179 -1.670 -2.605 1.00 0.25 C ATOM 333 CD1 TRP A 112 0.189 -2.875 -2.128 1.00 0.23 C ATOM 334 CD2 TRP A 112 -1.502 -1.392 -2.047 1.00 0.25 C ATOM 335 NE1 TRP A 112 -0.815 -3.356 -1.315 1.00 0.20 N ATOM 336 CE2 TRP A 112 -1.875 -2.485 -1.238 1.00 0.20 C ATOM 337 CE3 TRP A 112 -2.410 -0.317 -2.157 1.00 0.31 C ATOM 338 CZ2 TRP A 112 -3.090 -2.521 -0.572 1.00 0.20 C ATOM 339 CZ3 TRP A 112 -3.642 -0.355 -1.481 1.00 0.32 C ATOM 340 CH2 TRP A 112 -3.980 -1.462 -0.691 1.00 0.27 C ATOM 0 H TRP A 112 -0.720 -2.337 -4.932 1.00 0.27 H new ATOM 0 HA TRP A 112 -0.923 0.490 -4.201 1.00 0.29 H new ATOM 0 HB2 TRP A 112 1.419 -1.462 -3.997 1.00 0.29 H new ATOM 0 HB3 TRP A 112 1.137 -0.044 -3.005 1.00 0.29 H new ATOM 0 HD1 TRP A 112 1.118 -3.381 -2.347 1.00 0.23 H new ATOM 0 HE1 TRP A 112 -0.776 -4.252 -0.829 1.00 0.20 H new ATOM 0 HE3 TRP A 112 -2.157 0.540 -2.764 1.00 0.31 H new ATOM 0 HZ2 TRP A 112 -3.345 -3.374 0.040 1.00 0.20 H new ATOM 0 HZ3 TRP A 112 -4.331 0.472 -1.571 1.00 0.32 H new ATOM 0 HH2 TRP A 112 -4.929 -1.491 -0.177 1.00 0.27 H new ATOM 351 N LYS A 113 1.008 -0.410 -6.697 1.00 0.37 N ATOM 352 CA LYS A 113 1.778 0.181 -7.835 1.00 0.40 C ATOM 353 C LYS A 113 0.853 1.157 -8.572 1.00 0.34 C ATOM 354 O LYS A 113 1.248 2.245 -8.947 1.00 0.30 O ATOM 355 CB LYS A 113 2.160 -1.000 -8.732 1.00 0.50 C ATOM 356 CG LYS A 113 3.187 -1.886 -8.014 1.00 0.72 C ATOM 357 CD LYS A 113 4.600 -1.541 -8.493 1.00 0.89 C ATOM 358 CE LYS A 113 4.892 -2.281 -9.803 1.00 1.51 C ATOM 359 NZ LYS A 113 6.319 -1.979 -10.109 1.00 1.66 N ATOM 0 H LYS A 113 0.884 -1.422 -6.732 1.00 0.37 H new ATOM 0 HA LYS A 113 2.669 0.725 -7.522 1.00 0.40 H new ATOM 0 HB2 LYS A 113 1.273 -1.583 -8.979 1.00 0.50 H new ATOM 0 HB3 LYS A 113 2.574 -0.636 -9.672 1.00 0.50 H new ATOM 0 HG2 LYS A 113 3.114 -1.742 -6.936 1.00 0.72 H new ATOM 0 HG3 LYS A 113 2.974 -2.937 -8.210 1.00 0.72 H new ATOM 0 HD2 LYS A 113 4.692 -0.465 -8.643 1.00 0.89 H new ATOM 0 HD3 LYS A 113 5.331 -1.821 -7.734 1.00 0.89 H new ATOM 0 HE2 LYS A 113 4.730 -3.353 -9.695 1.00 1.51 H new ATOM 0 HE3 LYS A 113 4.236 -1.939 -10.604 1.00 1.51 H new ATOM 0 HZ1 LYS A 113 6.592 -2.452 -10.994 1.00 1.66 H new ATOM 0 HZ2 LYS A 113 6.442 -0.952 -10.214 1.00 1.66 H new ATOM 0 HZ3 LYS A 113 6.921 -2.322 -9.333 1.00 1.66 H new ATOM 373 N ARG A 114 -0.398 0.781 -8.733 1.00 0.35 N ATOM 374 CA ARG A 114 -1.385 1.702 -9.395 1.00 0.33 C ATOM 375 C ARG A 114 -1.493 2.994 -8.571 1.00 0.28 C ATOM 376 O ARG A 114 -1.403 4.092 -9.095 1.00 0.29 O ATOM 377 CB ARG A 114 -2.720 0.938 -9.367 1.00 0.37 C ATOM 378 CG ARG A 114 -3.854 1.806 -9.927 1.00 0.38 C ATOM 379 CD ARG A 114 -5.160 1.462 -9.202 1.00 0.43 C ATOM 380 NE ARG A 114 -6.150 2.443 -9.723 1.00 0.57 N ATOM 381 CZ ARG A 114 -7.314 2.035 -10.144 1.00 1.04 C ATOM 382 NH1 ARG A 114 -7.397 1.297 -11.217 1.00 1.62 N ATOM 383 NH2 ARG A 114 -8.395 2.365 -9.492 1.00 1.77 N ATOM 0 H ARG A 114 -0.777 -0.118 -8.437 1.00 0.35 H new ATOM 0 HA ARG A 114 -1.098 1.976 -10.410 1.00 0.33 H new ATOM 0 HB2 ARG A 114 -2.633 0.023 -9.952 1.00 0.37 H new ATOM 0 HB3 ARG A 114 -2.953 0.641 -8.344 1.00 0.37 H new ATOM 0 HG2 ARG A 114 -3.618 2.862 -9.795 1.00 0.38 H new ATOM 0 HG3 ARG A 114 -3.963 1.635 -10.998 1.00 0.38 H new ATOM 0 HD2 ARG A 114 -5.470 0.438 -9.409 1.00 0.43 H new ATOM 0 HD3 ARG A 114 -5.048 1.548 -8.121 1.00 0.43 H new ATOM 0 HE ARG A 114 -5.917 3.436 -9.751 1.00 0.57 H new ATOM 0 HH11 ARG A 114 -6.551 1.040 -11.726 1.00 1.62 H new ATOM 0 HH12 ARG A 114 -8.308 0.977 -11.547 1.00 1.62 H new ATOM 0 HH21 ARG A 114 -8.329 2.942 -8.653 1.00 1.77 H new ATOM 0 HH22 ARG A 114 -9.306 2.046 -9.821 1.00 1.77 H new ATOM 397 N LEU A 115 -1.678 2.860 -7.282 1.00 0.26 N ATOM 398 CA LEU A 115 -1.786 4.065 -6.408 1.00 0.25 C ATOM 399 C LEU A 115 -0.414 4.739 -6.289 1.00 0.25 C ATOM 400 O LEU A 115 -0.319 5.926 -6.056 1.00 0.26 O ATOM 401 CB LEU A 115 -2.266 3.546 -5.047 1.00 0.26 C ATOM 402 CG LEU A 115 -3.781 3.320 -5.084 1.00 0.25 C ATOM 403 CD1 LEU A 115 -4.084 1.893 -5.541 1.00 0.32 C ATOM 404 CD2 LEU A 115 -4.358 3.534 -3.683 1.00 0.23 C ATOM 0 H LEU A 115 -1.759 1.966 -6.797 1.00 0.26 H new ATOM 0 HA LEU A 115 -2.475 4.809 -6.808 1.00 0.25 H new ATOM 0 HB2 LEU A 115 -1.756 2.614 -4.802 1.00 0.26 H new ATOM 0 HB3 LEU A 115 -2.015 4.262 -4.265 1.00 0.26 H new ATOM 0 HG LEU A 115 -4.232 4.025 -5.783 1.00 0.25 H new ATOM 0 HD11 LEU A 115 -5.163 1.740 -5.565 1.00 0.32 H new ATOM 0 HD12 LEU A 115 -3.673 1.735 -6.538 1.00 0.32 H new ATOM 0 HD13 LEU A 115 -3.632 1.185 -4.846 1.00 0.32 H new ATOM 0 HD21 LEU A 115 -5.436 3.374 -3.705 1.00 0.23 H new ATOM 0 HD22 LEU A 115 -3.901 2.828 -2.989 1.00 0.23 H new ATOM 0 HD23 LEU A 115 -4.149 4.552 -3.355 1.00 0.23 H new ATOM 416 N ALA A 116 0.651 3.990 -6.465 1.00 0.26 N ATOM 417 CA ALA A 116 2.024 4.584 -6.379 1.00 0.28 C ATOM 418 C ALA A 116 2.163 5.674 -7.438 1.00 0.26 C ATOM 419 O ALA A 116 2.525 6.806 -7.152 1.00 0.27 O ATOM 420 CB ALA A 116 2.977 3.426 -6.689 1.00 0.31 C ATOM 0 H ALA A 116 0.627 2.990 -6.665 1.00 0.26 H new ATOM 0 HA ALA A 116 2.231 5.031 -5.407 1.00 0.28 H new ATOM 0 HB1 ALA A 116 4.007 3.781 -6.646 1.00 0.31 H new ATOM 0 HB2 ALA A 116 2.836 2.632 -5.956 1.00 0.31 H new ATOM 0 HB3 ALA A 116 2.768 3.040 -7.687 1.00 0.31 H new ATOM 426 N ARG A 117 1.836 5.344 -8.661 1.00 0.27 N ATOM 427 CA ARG A 117 1.907 6.358 -9.753 1.00 0.30 C ATOM 428 C ARG A 117 0.952 7.511 -9.408 1.00 0.32 C ATOM 429 O ARG A 117 1.272 8.671 -9.576 1.00 0.33 O ATOM 430 CB ARG A 117 1.448 5.609 -11.011 1.00 0.35 C ATOM 431 CG ARG A 117 2.523 4.593 -11.407 1.00 0.37 C ATOM 432 CD ARG A 117 2.064 3.803 -12.636 1.00 1.31 C ATOM 433 NE ARG A 117 3.149 2.811 -12.884 1.00 1.53 N ATOM 434 CZ ARG A 117 3.586 2.610 -14.097 1.00 1.93 C ATOM 435 NH1 ARG A 117 2.839 1.983 -14.966 1.00 2.24 N ATOM 436 NH2 ARG A 117 4.771 3.035 -14.442 1.00 2.61 N ATOM 0 H ARG A 117 1.523 4.417 -8.950 1.00 0.27 H new ATOM 0 HA ARG A 117 2.900 6.786 -9.893 1.00 0.30 H new ATOM 0 HB2 ARG A 117 0.502 5.102 -10.823 1.00 0.35 H new ATOM 0 HB3 ARG A 117 1.276 6.312 -11.826 1.00 0.35 H new ATOM 0 HG2 ARG A 117 3.460 5.107 -11.623 1.00 0.37 H new ATOM 0 HG3 ARG A 117 2.716 3.913 -10.578 1.00 0.37 H new ATOM 0 HD2 ARG A 117 1.110 3.308 -12.453 1.00 1.31 H new ATOM 0 HD3 ARG A 117 1.923 4.458 -13.496 1.00 1.31 H new ATOM 0 HE ARG A 117 3.550 2.289 -12.105 1.00 1.53 H new ATOM 0 HH11 ARG A 117 1.913 1.650 -14.697 1.00 2.24 H new ATOM 0 HH12 ARG A 117 3.181 1.826 -15.914 1.00 2.24 H new ATOM 0 HH21 ARG A 117 5.355 3.524 -13.764 1.00 2.61 H new ATOM 0 HH22 ARG A 117 5.113 2.878 -15.390 1.00 2.61 H new ATOM 450 N GLU A 118 -0.204 7.181 -8.881 1.00 0.34 N ATOM 451 CA GLU A 118 -1.184 8.235 -8.468 1.00 0.39 C ATOM 452 C GLU A 118 -0.565 9.077 -7.349 1.00 0.39 C ATOM 453 O GLU A 118 -0.700 10.285 -7.312 1.00 0.41 O ATOM 454 CB GLU A 118 -2.410 7.470 -7.964 1.00 0.43 C ATOM 455 CG GLU A 118 -3.110 6.796 -9.148 1.00 0.47 C ATOM 456 CD GLU A 118 -4.304 5.984 -8.645 1.00 0.53 C ATOM 457 OE1 GLU A 118 -5.366 6.563 -8.486 1.00 0.76 O ATOM 458 OE2 GLU A 118 -4.136 4.796 -8.427 1.00 1.45 O ATOM 0 H GLU A 118 -0.511 6.222 -8.719 1.00 0.34 H new ATOM 0 HA GLU A 118 -1.451 8.912 -9.280 1.00 0.39 H new ATOM 0 HB2 GLU A 118 -2.109 6.722 -7.231 1.00 0.43 H new ATOM 0 HB3 GLU A 118 -3.096 8.151 -7.461 1.00 0.43 H new ATOM 0 HG2 GLU A 118 -3.444 7.549 -9.862 1.00 0.47 H new ATOM 0 HG3 GLU A 118 -2.411 6.146 -9.674 1.00 0.47 H new ATOM 465 N LEU A 119 0.135 8.434 -6.448 1.00 0.37 N ATOM 466 CA LEU A 119 0.801 9.169 -5.327 1.00 0.38 C ATOM 467 C LEU A 119 2.036 9.927 -5.846 1.00 0.36 C ATOM 468 O LEU A 119 2.663 10.667 -5.115 1.00 0.39 O ATOM 469 CB LEU A 119 1.198 8.080 -4.332 1.00 0.38 C ATOM 470 CG LEU A 119 -0.073 7.517 -3.690 1.00 0.56 C ATOM 471 CD1 LEU A 119 0.232 6.180 -3.015 1.00 1.33 C ATOM 472 CD2 LEU A 119 -0.595 8.507 -2.645 1.00 0.58 C ATOM 0 H LEU A 119 0.275 7.424 -6.440 1.00 0.37 H new ATOM 0 HA LEU A 119 0.152 9.917 -4.870 1.00 0.38 H new ATOM 0 HB2 LEU A 119 1.749 7.287 -4.839 1.00 0.38 H new ATOM 0 HB3 LEU A 119 1.859 8.489 -3.568 1.00 0.38 H new ATOM 0 HG LEU A 119 -0.827 7.364 -4.462 1.00 0.56 H new ATOM 0 HD11 LEU A 119 -0.677 5.786 -2.561 1.00 1.33 H new ATOM 0 HD12 LEU A 119 0.602 5.473 -3.758 1.00 1.33 H new ATOM 0 HD13 LEU A 119 0.989 6.326 -2.244 1.00 1.33 H new ATOM 0 HD21 LEU A 119 -1.500 8.109 -2.186 1.00 0.58 H new ATOM 0 HD22 LEU A 119 0.164 8.660 -1.877 1.00 0.58 H new ATOM 0 HD23 LEU A 119 -0.821 9.459 -3.126 1.00 0.58 H new ATOM 484 N LYS A 120 2.382 9.753 -7.109 1.00 0.34 N ATOM 485 CA LYS A 120 3.558 10.464 -7.703 1.00 0.35 C ATOM 486 C LYS A 120 4.843 10.114 -6.963 1.00 0.30 C ATOM 487 O LYS A 120 5.626 10.979 -6.615 1.00 0.33 O ATOM 488 CB LYS A 120 3.259 11.969 -7.605 1.00 0.48 C ATOM 489 CG LYS A 120 2.108 12.323 -8.548 1.00 1.05 C ATOM 490 CD LYS A 120 1.788 13.814 -8.423 1.00 1.11 C ATOM 491 CE LYS A 120 2.874 14.633 -9.124 1.00 2.02 C ATOM 492 NZ LYS A 120 2.492 16.054 -8.890 1.00 2.16 N ATOM 0 H LYS A 120 1.888 9.139 -7.757 1.00 0.34 H new ATOM 0 HA LYS A 120 3.708 10.163 -8.740 1.00 0.35 H new ATOM 0 HB2 LYS A 120 2.998 12.233 -6.580 1.00 0.48 H new ATOM 0 HB3 LYS A 120 4.147 12.545 -7.866 1.00 0.48 H new ATOM 0 HG2 LYS A 120 2.379 12.083 -9.576 1.00 1.05 H new ATOM 0 HG3 LYS A 120 1.227 11.729 -8.303 1.00 1.05 H new ATOM 0 HD2 LYS A 120 0.815 14.026 -8.867 1.00 1.11 H new ATOM 0 HD3 LYS A 120 1.727 14.096 -7.372 1.00 1.11 H new ATOM 0 HE2 LYS A 120 3.860 14.416 -8.713 1.00 2.02 H new ATOM 0 HE3 LYS A 120 2.915 14.405 -10.189 1.00 2.02 H new ATOM 0 HZ1 LYS A 120 3.190 16.680 -9.341 1.00 2.16 H new ATOM 0 HZ2 LYS A 120 1.552 16.232 -9.298 1.00 2.16 H new ATOM 0 HZ3 LYS A 120 2.467 16.243 -7.868 1.00 2.16 H new ATOM 506 N VAL A 121 5.077 8.847 -6.747 1.00 0.29 N ATOM 507 CA VAL A 121 6.333 8.428 -6.057 1.00 0.33 C ATOM 508 C VAL A 121 7.503 8.576 -7.033 1.00 0.37 C ATOM 509 O VAL A 121 7.330 8.471 -8.232 1.00 0.42 O ATOM 510 CB VAL A 121 6.131 6.961 -5.662 1.00 0.36 C ATOM 511 CG1 VAL A 121 4.975 6.860 -4.667 1.00 1.65 C ATOM 512 CG2 VAL A 121 5.809 6.115 -6.900 1.00 1.29 C ATOM 0 H VAL A 121 4.455 8.085 -7.018 1.00 0.29 H new ATOM 0 HA VAL A 121 6.551 9.034 -5.177 1.00 0.33 H new ATOM 0 HB VAL A 121 7.048 6.588 -5.207 1.00 0.36 H new ATOM 0 HG11 VAL A 121 4.829 5.818 -4.384 1.00 1.65 H new ATOM 0 HG12 VAL A 121 5.207 7.448 -3.779 1.00 1.65 H new ATOM 0 HG13 VAL A 121 4.064 7.242 -5.128 1.00 1.65 H new ATOM 0 HG21 VAL A 121 5.668 5.076 -6.604 1.00 1.29 H new ATOM 0 HG22 VAL A 121 4.897 6.486 -7.367 1.00 1.29 H new ATOM 0 HG23 VAL A 121 6.633 6.181 -7.610 1.00 1.29 H new ATOM 522 N SER A 122 8.687 8.844 -6.535 1.00 0.45 N ATOM 523 CA SER A 122 9.868 9.027 -7.443 1.00 0.52 C ATOM 524 C SER A 122 9.990 7.863 -8.428 1.00 0.44 C ATOM 525 O SER A 122 10.135 6.719 -8.042 1.00 0.35 O ATOM 526 CB SER A 122 11.083 9.069 -6.514 1.00 0.63 C ATOM 527 OG SER A 122 11.225 7.812 -5.866 1.00 1.10 O ATOM 0 H SER A 122 8.888 8.944 -5.540 1.00 0.45 H new ATOM 0 HA SER A 122 9.776 9.932 -8.044 1.00 0.52 H new ATOM 0 HB2 SER A 122 11.983 9.300 -7.084 1.00 0.63 H new ATOM 0 HB3 SER A 122 10.962 9.860 -5.774 1.00 0.63 H new ATOM 0 HG SER A 122 10.756 7.123 -6.382 1.00 1.10 H new ATOM 533 N GLU A 123 9.940 8.161 -9.702 1.00 0.55 N ATOM 534 CA GLU A 123 10.058 7.089 -10.735 1.00 0.58 C ATOM 535 C GLU A 123 11.398 6.371 -10.578 1.00 0.52 C ATOM 536 O GLU A 123 11.530 5.205 -10.902 1.00 0.53 O ATOM 537 CB GLU A 123 9.967 7.806 -12.083 1.00 0.77 C ATOM 538 CG GLU A 123 9.919 6.772 -13.214 1.00 1.44 C ATOM 539 CD GLU A 123 9.823 7.477 -14.576 1.00 1.61 C ATOM 540 OE1 GLU A 123 9.573 8.673 -14.598 1.00 1.75 O ATOM 541 OE2 GLU A 123 9.983 6.800 -15.578 1.00 2.15 O ATOM 0 H GLU A 123 9.822 9.104 -10.072 1.00 0.55 H new ATOM 0 HA GLU A 123 9.279 6.332 -10.643 1.00 0.58 H new ATOM 0 HB2 GLU A 123 9.077 8.434 -12.113 1.00 0.77 H new ATOM 0 HB3 GLU A 123 10.826 8.464 -12.215 1.00 0.77 H new ATOM 0 HG2 GLU A 123 10.811 6.147 -13.182 1.00 1.44 H new ATOM 0 HG3 GLU A 123 9.062 6.112 -13.077 1.00 1.44 H new ATOM 548 N ALA A 124 12.394 7.059 -10.068 1.00 0.50 N ATOM 549 CA ALA A 124 13.730 6.412 -9.870 1.00 0.50 C ATOM 550 C ALA A 124 13.584 5.163 -8.989 1.00 0.39 C ATOM 551 O ALA A 124 14.017 4.087 -9.355 1.00 0.45 O ATOM 552 CB ALA A 124 14.591 7.468 -9.169 1.00 0.56 C ATOM 0 H ALA A 124 12.339 8.036 -9.782 1.00 0.50 H new ATOM 0 HA ALA A 124 14.175 6.090 -10.811 1.00 0.50 H new ATOM 0 HB1 ALA A 124 15.588 7.065 -8.990 1.00 0.56 H new ATOM 0 HB2 ALA A 124 14.666 8.354 -9.800 1.00 0.56 H new ATOM 0 HB3 ALA A 124 14.133 7.738 -8.217 1.00 0.56 H new ATOM 558 N LYS A 125 12.960 5.294 -7.842 1.00 0.31 N ATOM 559 CA LYS A 125 12.769 4.104 -6.954 1.00 0.34 C ATOM 560 C LYS A 125 11.886 3.064 -7.642 1.00 0.34 C ATOM 561 O LYS A 125 12.192 1.886 -7.639 1.00 0.39 O ATOM 562 CB LYS A 125 12.100 4.633 -5.687 1.00 0.42 C ATOM 563 CG LYS A 125 13.119 5.440 -4.878 1.00 0.54 C ATOM 564 CD LYS A 125 12.460 5.976 -3.607 1.00 0.75 C ATOM 565 CE LYS A 125 13.518 6.670 -2.739 1.00 0.75 C ATOM 566 NZ LYS A 125 12.776 7.645 -1.878 1.00 1.56 N ATOM 0 H LYS A 125 12.577 6.169 -7.484 1.00 0.31 H new ATOM 0 HA LYS A 125 13.715 3.613 -6.726 1.00 0.34 H new ATOM 0 HB2 LYS A 125 11.246 5.259 -5.947 1.00 0.42 H new ATOM 0 HB3 LYS A 125 11.718 3.805 -5.090 1.00 0.42 H new ATOM 0 HG2 LYS A 125 13.972 4.812 -4.620 1.00 0.54 H new ATOM 0 HG3 LYS A 125 13.501 6.266 -5.477 1.00 0.54 H new ATOM 0 HD2 LYS A 125 11.667 6.678 -3.864 1.00 0.75 H new ATOM 0 HD3 LYS A 125 11.997 5.160 -3.052 1.00 0.75 H new ATOM 0 HE2 LYS A 125 14.059 5.945 -2.130 1.00 0.75 H new ATOM 0 HE3 LYS A 125 14.256 7.180 -3.358 1.00 0.75 H new ATOM 0 HZ1 LYS A 125 13.456 8.230 -1.351 1.00 1.56 H new ATOM 0 HZ2 LYS A 125 12.184 8.256 -2.476 1.00 1.56 H new ATOM 0 HZ3 LYS A 125 12.172 7.127 -1.208 1.00 1.56 H new ATOM 580 N MET A 126 10.804 3.488 -8.252 1.00 0.42 N ATOM 581 CA MET A 126 9.917 2.511 -8.961 1.00 0.56 C ATOM 582 C MET A 126 10.722 1.814 -10.062 1.00 0.57 C ATOM 583 O MET A 126 10.609 0.623 -10.275 1.00 0.66 O ATOM 584 CB MET A 126 8.773 3.345 -9.558 1.00 0.70 C ATOM 585 CG MET A 126 7.859 3.859 -8.440 1.00 1.10 C ATOM 586 SD MET A 126 6.961 2.468 -7.709 1.00 1.90 S ATOM 587 CE MET A 126 5.879 2.130 -9.122 1.00 2.03 C ATOM 0 H MET A 126 10.499 4.460 -8.290 1.00 0.42 H new ATOM 0 HA MET A 126 9.527 1.738 -8.299 1.00 0.56 H new ATOM 0 HB2 MET A 126 9.180 4.185 -10.121 1.00 0.70 H new ATOM 0 HB3 MET A 126 8.198 2.740 -10.259 1.00 0.70 H new ATOM 0 HG2 MET A 126 8.450 4.366 -7.677 1.00 1.10 H new ATOM 0 HG3 MET A 126 7.156 4.591 -8.838 1.00 1.10 H new ATOM 0 HE1 MET A 126 4.887 1.855 -8.763 1.00 2.03 H new ATOM 0 HE2 MET A 126 5.805 3.021 -9.745 1.00 2.03 H new ATOM 0 HE3 MET A 126 6.293 1.310 -9.709 1.00 2.03 H new ATOM 597 N ASP A 127 11.551 2.551 -10.750 1.00 0.55 N ATOM 598 CA ASP A 127 12.386 1.935 -11.828 1.00 0.62 C ATOM 599 C ASP A 127 13.293 0.833 -11.248 1.00 0.54 C ATOM 600 O ASP A 127 13.475 -0.204 -11.856 1.00 0.59 O ATOM 601 CB ASP A 127 13.239 3.081 -12.377 1.00 0.71 C ATOM 602 CG ASP A 127 14.099 2.572 -13.537 1.00 1.04 C ATOM 603 OD1 ASP A 127 15.004 1.795 -13.282 1.00 1.60 O ATOM 604 OD2 ASP A 127 13.836 2.967 -14.662 1.00 1.71 O ATOM 0 H ASP A 127 11.688 3.553 -10.615 1.00 0.55 H new ATOM 0 HA ASP A 127 11.772 1.470 -12.599 1.00 0.62 H new ATOM 0 HB2 ASP A 127 12.598 3.895 -12.716 1.00 0.71 H new ATOM 0 HB3 ASP A 127 13.875 3.484 -11.589 1.00 0.71 H new ATOM 609 N GLY A 128 13.866 1.048 -10.082 1.00 0.46 N ATOM 610 CA GLY A 128 14.761 0.007 -9.481 1.00 0.46 C ATOM 611 C GLY A 128 13.966 -1.155 -8.884 1.00 0.48 C ATOM 612 O GLY A 128 14.341 -2.303 -9.047 1.00 0.51 O ATOM 0 H GLY A 128 13.752 1.895 -9.526 1.00 0.46 H new ATOM 0 HA2 GLY A 128 15.440 -0.372 -10.245 1.00 0.46 H new ATOM 0 HA3 GLY A 128 15.377 0.462 -8.705 1.00 0.46 H new ATOM 616 N ILE A 129 12.888 -0.886 -8.184 1.00 0.54 N ATOM 617 CA ILE A 129 12.108 -2.011 -7.577 1.00 0.68 C ATOM 618 C ILE A 129 11.601 -2.952 -8.686 1.00 0.68 C ATOM 619 O ILE A 129 11.748 -4.156 -8.600 1.00 0.72 O ATOM 620 CB ILE A 129 10.965 -1.339 -6.769 1.00 0.86 C ATOM 621 CG1 ILE A 129 10.520 -2.294 -5.667 1.00 1.04 C ATOM 622 CG2 ILE A 129 9.753 -0.981 -7.639 1.00 1.77 C ATOM 623 CD1 ILE A 129 11.629 -2.390 -4.620 1.00 2.01 C ATOM 0 H ILE A 129 12.520 0.049 -8.009 1.00 0.54 H new ATOM 0 HA ILE A 129 12.704 -2.639 -6.915 1.00 0.68 H new ATOM 0 HB ILE A 129 11.355 -0.408 -6.358 1.00 0.86 H new ATOM 0 HG12 ILE A 129 9.598 -1.937 -5.208 1.00 1.04 H new ATOM 0 HG13 ILE A 129 10.308 -3.279 -6.084 1.00 1.04 H new ATOM 0 HG21 ILE A 129 8.986 -0.515 -7.020 1.00 1.77 H new ATOM 0 HG22 ILE A 129 10.059 -0.287 -8.422 1.00 1.77 H new ATOM 0 HG23 ILE A 129 9.351 -1.887 -8.094 1.00 1.77 H new ATOM 0 HD11 ILE A 129 11.322 -3.071 -3.826 1.00 2.01 H new ATOM 0 HD12 ILE A 129 12.539 -2.765 -5.088 1.00 2.01 H new ATOM 0 HD13 ILE A 129 11.818 -1.403 -4.198 1.00 2.01 H new ATOM 635 N GLU A 130 11.020 -2.407 -9.723 1.00 0.70 N ATOM 636 CA GLU A 130 10.516 -3.265 -10.841 1.00 0.77 C ATOM 637 C GLU A 130 11.664 -4.054 -11.488 1.00 0.65 C ATOM 638 O GLU A 130 11.574 -5.252 -11.676 1.00 0.68 O ATOM 639 CB GLU A 130 9.904 -2.294 -11.849 1.00 0.85 C ATOM 640 CG GLU A 130 9.246 -3.092 -12.979 1.00 1.41 C ATOM 641 CD GLU A 130 8.611 -2.144 -14.008 1.00 1.66 C ATOM 642 OE1 GLU A 130 8.533 -0.955 -13.738 1.00 2.14 O ATOM 643 OE2 GLU A 130 8.205 -2.631 -15.050 1.00 2.01 O ATOM 0 H GLU A 130 10.872 -1.405 -9.846 1.00 0.70 H new ATOM 0 HA GLU A 130 9.793 -4.000 -10.488 1.00 0.77 H new ATOM 0 HB2 GLU A 130 9.166 -1.659 -11.359 1.00 0.85 H new ATOM 0 HB3 GLU A 130 10.674 -1.636 -12.252 1.00 0.85 H new ATOM 0 HG2 GLU A 130 9.989 -3.723 -13.467 1.00 1.41 H new ATOM 0 HG3 GLU A 130 8.485 -3.755 -12.568 1.00 1.41 H new ATOM 650 N GLU A 131 12.735 -3.384 -11.843 1.00 0.59 N ATOM 651 CA GLU A 131 13.886 -4.091 -12.493 1.00 0.55 C ATOM 652 C GLU A 131 14.504 -5.117 -11.543 1.00 0.47 C ATOM 653 O GLU A 131 14.770 -6.242 -11.922 1.00 0.45 O ATOM 654 CB GLU A 131 14.896 -2.992 -12.828 1.00 0.63 C ATOM 655 CG GLU A 131 14.346 -2.117 -13.962 1.00 1.38 C ATOM 656 CD GLU A 131 15.348 -1.006 -14.309 1.00 1.89 C ATOM 657 OE1 GLU A 131 16.257 -0.776 -13.526 1.00 2.30 O ATOM 658 OE2 GLU A 131 15.189 -0.407 -15.360 1.00 2.50 O ATOM 0 H GLU A 131 12.862 -2.381 -11.711 1.00 0.59 H new ATOM 0 HA GLU A 131 13.571 -4.641 -13.380 1.00 0.55 H new ATOM 0 HB2 GLU A 131 15.091 -2.382 -11.946 1.00 0.63 H new ATOM 0 HB3 GLU A 131 15.846 -3.436 -13.125 1.00 0.63 H new ATOM 0 HG2 GLU A 131 14.152 -2.730 -14.842 1.00 1.38 H new ATOM 0 HG3 GLU A 131 13.394 -1.678 -13.663 1.00 1.38 H new ATOM 665 N LYS A 132 14.738 -4.735 -10.315 1.00 0.51 N ATOM 666 CA LYS A 132 15.345 -5.688 -9.336 1.00 0.53 C ATOM 667 C LYS A 132 14.344 -6.787 -8.972 1.00 0.54 C ATOM 668 O LYS A 132 14.717 -7.911 -8.694 1.00 0.63 O ATOM 669 CB LYS A 132 15.700 -4.850 -8.103 1.00 0.68 C ATOM 670 CG LYS A 132 16.862 -3.911 -8.442 1.00 1.39 C ATOM 671 CD LYS A 132 17.241 -3.095 -7.204 1.00 1.91 C ATOM 672 CE LYS A 132 18.402 -2.160 -7.550 1.00 2.62 C ATOM 673 NZ LYS A 132 17.754 -0.877 -7.937 1.00 2.69 N ATOM 0 H LYS A 132 14.536 -3.806 -9.947 1.00 0.51 H new ATOM 0 HA LYS A 132 16.225 -6.183 -9.748 1.00 0.53 H new ATOM 0 HB2 LYS A 132 14.834 -4.272 -7.781 1.00 0.68 H new ATOM 0 HB3 LYS A 132 15.975 -5.502 -7.274 1.00 0.68 H new ATOM 0 HG2 LYS A 132 17.720 -4.488 -8.786 1.00 1.39 H new ATOM 0 HG3 LYS A 132 16.578 -3.244 -9.256 1.00 1.39 H new ATOM 0 HD2 LYS A 132 16.384 -2.517 -6.859 1.00 1.91 H new ATOM 0 HD3 LYS A 132 17.525 -3.760 -6.389 1.00 1.91 H new ATOM 0 HE2 LYS A 132 19.069 -2.025 -6.698 1.00 2.62 H new ATOM 0 HE3 LYS A 132 19.004 -2.561 -8.366 1.00 2.62 H new ATOM 0 HZ1 LYS A 132 18.485 -0.181 -8.189 1.00 2.69 H new ATOM 0 HZ2 LYS A 132 17.130 -1.036 -8.754 1.00 2.69 H new ATOM 0 HZ3 LYS A 132 17.194 -0.516 -7.139 1.00 2.69 H new ATOM 687 N TYR A 133 13.079 -6.461 -8.953 1.00 0.55 N ATOM 688 CA TYR A 133 12.039 -7.466 -8.586 1.00 0.65 C ATOM 689 C TYR A 133 10.987 -7.567 -9.701 1.00 0.54 C ATOM 690 O TYR A 133 9.988 -6.878 -9.663 1.00 0.66 O ATOM 691 CB TYR A 133 11.417 -6.911 -7.310 1.00 0.89 C ATOM 692 CG TYR A 133 12.488 -6.750 -6.255 1.00 1.14 C ATOM 693 CD1 TYR A 133 13.025 -7.874 -5.618 1.00 0.98 C ATOM 694 CD2 TYR A 133 12.945 -5.471 -5.923 1.00 2.20 C ATOM 695 CE1 TYR A 133 14.019 -7.717 -4.645 1.00 1.14 C ATOM 696 CE2 TYR A 133 13.939 -5.313 -4.951 1.00 2.44 C ATOM 697 CZ TYR A 133 14.476 -6.436 -4.311 1.00 1.67 C ATOM 698 OH TYR A 133 15.456 -6.280 -3.352 1.00 1.95 O ATOM 0 H TYR A 133 12.719 -5.534 -9.178 1.00 0.55 H new ATOM 0 HA TYR A 133 12.447 -8.467 -8.447 1.00 0.65 H new ATOM 0 HB2 TYR A 133 10.943 -5.950 -7.512 1.00 0.89 H new ATOM 0 HB3 TYR A 133 10.637 -7.582 -6.952 1.00 0.89 H new ATOM 0 HD1 TYR A 133 12.673 -8.862 -5.877 1.00 0.98 H new ATOM 0 HD2 TYR A 133 12.531 -4.605 -6.417 1.00 2.20 H new ATOM 0 HE1 TYR A 133 14.434 -8.584 -4.152 1.00 1.14 H new ATOM 0 HE2 TYR A 133 14.292 -4.325 -4.695 1.00 2.44 H new ATOM 0 HH TYR A 133 15.658 -5.327 -3.242 1.00 1.95 H new ATOM 708 N PRO A 134 11.254 -8.403 -10.680 1.00 0.51 N ATOM 709 CA PRO A 134 10.314 -8.549 -11.819 1.00 0.53 C ATOM 710 C PRO A 134 9.056 -9.349 -11.446 1.00 0.47 C ATOM 711 O PRO A 134 8.120 -9.405 -12.223 1.00 0.54 O ATOM 712 CB PRO A 134 11.131 -9.309 -12.862 1.00 0.70 C ATOM 713 CG PRO A 134 12.164 -10.059 -12.084 1.00 0.76 C ATOM 714 CD PRO A 134 12.433 -9.276 -10.826 1.00 0.66 C ATOM 0 HA PRO A 134 9.946 -7.582 -12.163 1.00 0.53 H new ATOM 0 HB2 PRO A 134 10.501 -9.988 -13.436 1.00 0.70 H new ATOM 0 HB3 PRO A 134 11.594 -8.625 -13.574 1.00 0.70 H new ATOM 0 HG2 PRO A 134 11.811 -11.062 -11.844 1.00 0.76 H new ATOM 0 HG3 PRO A 134 13.077 -10.173 -12.668 1.00 0.76 H new ATOM 0 HD2 PRO A 134 12.549 -9.934 -9.965 1.00 0.66 H new ATOM 0 HD3 PRO A 134 13.351 -8.694 -10.909 1.00 0.66 H new ATOM 722 N ARG A 135 9.013 -9.984 -10.292 1.00 0.43 N ATOM 723 CA ARG A 135 7.789 -10.780 -9.948 1.00 0.48 C ATOM 724 C ARG A 135 7.536 -10.864 -8.435 1.00 0.43 C ATOM 725 O ARG A 135 6.738 -11.669 -7.990 1.00 0.60 O ATOM 726 CB ARG A 135 8.065 -12.167 -10.522 1.00 0.70 C ATOM 727 CG ARG A 135 6.745 -12.917 -10.703 1.00 0.91 C ATOM 728 CD ARG A 135 5.952 -12.272 -11.843 1.00 1.17 C ATOM 729 NE ARG A 135 5.055 -13.347 -12.347 1.00 1.44 N ATOM 730 CZ ARG A 135 5.206 -13.802 -13.560 1.00 2.17 C ATOM 731 NH1 ARG A 135 6.233 -14.553 -13.852 1.00 3.07 N ATOM 732 NH2 ARG A 135 4.332 -13.504 -14.482 1.00 2.61 N ATOM 0 H ARG A 135 9.754 -9.986 -9.591 1.00 0.43 H new ATOM 0 HA ARG A 135 6.893 -10.314 -10.357 1.00 0.48 H new ATOM 0 HB2 ARG A 135 8.580 -12.080 -11.479 1.00 0.70 H new ATOM 0 HB3 ARG A 135 8.723 -12.724 -9.855 1.00 0.70 H new ATOM 0 HG2 ARG A 135 6.937 -13.967 -10.926 1.00 0.91 H new ATOM 0 HG3 ARG A 135 6.167 -12.888 -9.780 1.00 0.91 H new ATOM 0 HD2 ARG A 135 5.380 -11.414 -11.489 1.00 1.17 H new ATOM 0 HD3 ARG A 135 6.615 -11.911 -12.629 1.00 1.17 H new ATOM 0 HE ARG A 135 4.324 -13.727 -11.746 1.00 1.44 H new ATOM 0 HH11 ARG A 135 6.917 -14.784 -13.132 1.00 3.07 H new ATOM 0 HH12 ARG A 135 6.351 -14.909 -14.801 1.00 3.07 H new ATOM 0 HH21 ARG A 135 3.531 -12.915 -14.254 1.00 2.61 H new ATOM 0 HH22 ARG A 135 4.450 -13.860 -15.431 1.00 2.61 H new ATOM 746 N SER A 136 8.183 -10.048 -7.640 1.00 0.51 N ATOM 747 CA SER A 136 7.940 -10.104 -6.163 1.00 0.44 C ATOM 748 C SER A 136 6.905 -9.063 -5.764 1.00 0.33 C ATOM 749 O SER A 136 7.154 -7.872 -5.795 1.00 0.30 O ATOM 750 CB SER A 136 9.291 -9.819 -5.511 1.00 0.50 C ATOM 751 OG SER A 136 9.990 -11.042 -5.329 1.00 0.90 O ATOM 0 H SER A 136 8.863 -9.351 -7.945 1.00 0.51 H new ATOM 0 HA SER A 136 7.550 -11.071 -5.847 1.00 0.44 H new ATOM 0 HB2 SER A 136 9.874 -9.143 -6.136 1.00 0.50 H new ATOM 0 HB3 SER A 136 9.147 -9.322 -4.551 1.00 0.50 H new ATOM 0 HG SER A 136 10.859 -10.863 -4.912 1.00 0.90 H new ATOM 757 N LEU A 137 5.741 -9.516 -5.376 1.00 0.31 N ATOM 758 CA LEU A 137 4.665 -8.573 -4.956 1.00 0.24 C ATOM 759 C LEU A 137 5.150 -7.778 -3.747 1.00 0.20 C ATOM 760 O LEU A 137 4.973 -6.579 -3.656 1.00 0.21 O ATOM 761 CB LEU A 137 3.479 -9.470 -4.567 1.00 0.23 C ATOM 762 CG LEU A 137 2.298 -8.610 -4.118 1.00 0.21 C ATOM 763 CD1 LEU A 137 1.805 -7.755 -5.294 1.00 0.23 C ATOM 764 CD2 LEU A 137 1.171 -9.532 -3.639 1.00 0.27 C ATOM 0 H LEU A 137 5.490 -10.504 -5.332 1.00 0.31 H new ATOM 0 HA LEU A 137 4.391 -7.863 -5.736 1.00 0.24 H new ATOM 0 HB2 LEU A 137 3.187 -10.089 -5.415 1.00 0.23 H new ATOM 0 HB3 LEU A 137 3.772 -10.147 -3.765 1.00 0.23 H new ATOM 0 HG LEU A 137 2.606 -7.951 -3.307 1.00 0.21 H new ATOM 0 HD11 LEU A 137 0.963 -7.143 -4.971 1.00 0.23 H new ATOM 0 HD12 LEU A 137 2.613 -7.109 -5.638 1.00 0.23 H new ATOM 0 HD13 LEU A 137 1.489 -8.406 -6.109 1.00 0.23 H new ATOM 0 HD21 LEU A 137 0.322 -8.930 -3.316 1.00 0.27 H new ATOM 0 HD22 LEU A 137 0.863 -10.185 -4.456 1.00 0.27 H new ATOM 0 HD23 LEU A 137 1.526 -10.137 -2.805 1.00 0.27 H new ATOM 776 N SER A 138 5.766 -8.461 -2.825 1.00 0.24 N ATOM 777 CA SER A 138 6.289 -7.790 -1.593 1.00 0.26 C ATOM 778 C SER A 138 7.362 -6.740 -1.923 1.00 0.20 C ATOM 779 O SER A 138 7.359 -5.652 -1.385 1.00 0.22 O ATOM 780 CB SER A 138 6.896 -8.919 -0.760 1.00 0.38 C ATOM 781 OG SER A 138 7.524 -8.370 0.391 1.00 1.01 O ATOM 0 H SER A 138 5.934 -9.466 -2.868 1.00 0.24 H new ATOM 0 HA SER A 138 5.497 -7.255 -1.070 1.00 0.26 H new ATOM 0 HB2 SER A 138 6.120 -9.625 -0.463 1.00 0.38 H new ATOM 0 HB3 SER A 138 7.622 -9.475 -1.354 1.00 0.38 H new ATOM 0 HG SER A 138 7.913 -9.092 0.927 1.00 1.01 H new ATOM 787 N GLU A 139 8.300 -7.078 -2.773 1.00 0.24 N ATOM 788 CA GLU A 139 9.407 -6.122 -3.106 1.00 0.25 C ATOM 789 C GLU A 139 8.909 -4.909 -3.898 1.00 0.21 C ATOM 790 O GLU A 139 9.370 -3.804 -3.689 1.00 0.21 O ATOM 791 CB GLU A 139 10.392 -6.908 -3.968 1.00 0.39 C ATOM 792 CG GLU A 139 10.918 -8.124 -3.201 1.00 1.09 C ATOM 793 CD GLU A 139 11.810 -7.664 -2.047 1.00 2.02 C ATOM 794 OE1 GLU A 139 12.569 -6.730 -2.247 1.00 2.24 O ATOM 795 OE2 GLU A 139 11.719 -8.254 -0.984 1.00 2.92 O ATOM 0 H GLU A 139 8.349 -7.977 -3.253 1.00 0.24 H new ATOM 0 HA GLU A 139 9.853 -5.738 -2.189 1.00 0.25 H new ATOM 0 HB2 GLU A 139 9.903 -7.233 -4.886 1.00 0.39 H new ATOM 0 HB3 GLU A 139 11.223 -6.266 -4.259 1.00 0.39 H new ATOM 0 HG2 GLU A 139 10.084 -8.711 -2.816 1.00 1.09 H new ATOM 0 HG3 GLU A 139 11.482 -8.772 -3.872 1.00 1.09 H new ATOM 802 N ARG A 140 8.008 -5.104 -4.829 1.00 0.26 N ATOM 803 CA ARG A 140 7.535 -3.948 -5.654 1.00 0.33 C ATOM 804 C ARG A 140 6.746 -2.951 -4.809 1.00 0.29 C ATOM 805 O ARG A 140 7.024 -1.768 -4.808 1.00 0.35 O ATOM 806 CB ARG A 140 6.622 -4.558 -6.725 1.00 0.42 C ATOM 807 CG ARG A 140 7.452 -5.351 -7.738 1.00 1.07 C ATOM 808 CD ARG A 140 6.517 -5.950 -8.795 1.00 1.17 C ATOM 809 NE ARG A 140 7.404 -6.688 -9.739 1.00 0.98 N ATOM 810 CZ ARG A 140 7.072 -6.794 -10.999 1.00 1.13 C ATOM 811 NH1 ARG A 140 5.894 -7.251 -11.331 1.00 1.60 N ATOM 812 NH2 ARG A 140 7.917 -6.440 -11.928 1.00 1.55 N ATOM 0 H ARG A 140 7.583 -6.004 -5.053 1.00 0.26 H new ATOM 0 HA ARG A 140 8.375 -3.402 -6.083 1.00 0.33 H new ATOM 0 HB2 ARG A 140 5.886 -5.211 -6.257 1.00 0.42 H new ATOM 0 HB3 ARG A 140 6.070 -3.769 -7.235 1.00 0.42 H new ATOM 0 HG2 ARG A 140 8.188 -4.701 -8.212 1.00 1.07 H new ATOM 0 HG3 ARG A 140 8.005 -6.143 -7.233 1.00 1.07 H new ATOM 0 HD2 ARG A 140 5.786 -6.618 -8.339 1.00 1.17 H new ATOM 0 HD3 ARG A 140 5.957 -5.170 -9.311 1.00 1.17 H new ATOM 0 HE ARG A 140 8.269 -7.110 -9.402 1.00 0.98 H new ATOM 0 HH11 ARG A 140 5.231 -7.526 -10.606 1.00 1.60 H new ATOM 0 HH12 ARG A 140 5.637 -7.333 -12.315 1.00 1.60 H new ATOM 0 HH21 ARG A 140 8.836 -6.081 -11.671 1.00 1.55 H new ATOM 0 HH22 ARG A 140 7.658 -6.523 -12.911 1.00 1.55 H new ATOM 826 N VAL A 141 5.753 -3.422 -4.114 1.00 0.24 N ATOM 827 CA VAL A 141 4.907 -2.515 -3.277 1.00 0.27 C ATOM 828 C VAL A 141 5.660 -1.909 -2.086 1.00 0.25 C ATOM 829 O VAL A 141 5.443 -0.768 -1.750 1.00 0.29 O ATOM 830 CB VAL A 141 3.739 -3.369 -2.797 1.00 0.28 C ATOM 831 CG1 VAL A 141 2.959 -3.889 -4.007 1.00 0.33 C ATOM 832 CG2 VAL A 141 4.251 -4.555 -1.983 1.00 0.23 C ATOM 0 H VAL A 141 5.484 -4.406 -4.086 1.00 0.24 H new ATOM 0 HA VAL A 141 4.585 -1.658 -3.868 1.00 0.27 H new ATOM 0 HB VAL A 141 3.090 -2.759 -2.169 1.00 0.28 H new ATOM 0 HG11 VAL A 141 2.123 -4.500 -3.666 1.00 0.33 H new ATOM 0 HG12 VAL A 141 2.580 -3.046 -4.585 1.00 0.33 H new ATOM 0 HG13 VAL A 141 3.617 -4.492 -4.633 1.00 0.33 H new ATOM 0 HG21 VAL A 141 3.407 -5.157 -1.646 1.00 0.23 H new ATOM 0 HG22 VAL A 141 4.907 -5.166 -2.603 1.00 0.23 H new ATOM 0 HG23 VAL A 141 4.805 -4.191 -1.118 1.00 0.23 H new ATOM 842 N ARG A 142 6.503 -2.654 -1.414 1.00 0.21 N ATOM 843 CA ARG A 142 7.203 -2.087 -0.213 1.00 0.22 C ATOM 844 C ARG A 142 7.926 -0.778 -0.545 1.00 0.24 C ATOM 845 O ARG A 142 7.868 0.168 0.219 1.00 0.25 O ATOM 846 CB ARG A 142 8.205 -3.156 0.228 1.00 0.27 C ATOM 847 CG ARG A 142 7.467 -4.279 0.961 1.00 0.28 C ATOM 848 CD ARG A 142 7.160 -3.836 2.394 1.00 1.02 C ATOM 849 NE ARG A 142 6.265 -4.894 2.940 1.00 0.94 N ATOM 850 CZ ARG A 142 6.247 -5.138 4.223 1.00 1.48 C ATOM 851 NH1 ARG A 142 7.365 -5.353 4.862 1.00 2.10 N ATOM 852 NH2 ARG A 142 5.112 -5.168 4.866 1.00 2.24 N ATOM 0 H ARG A 142 6.737 -3.621 -1.640 1.00 0.21 H new ATOM 0 HA ARG A 142 6.489 -1.847 0.575 1.00 0.22 H new ATOM 0 HB2 ARG A 142 8.730 -3.557 -0.639 1.00 0.27 H new ATOM 0 HB3 ARG A 142 8.959 -2.716 0.881 1.00 0.27 H new ATOM 0 HG2 ARG A 142 6.542 -4.523 0.438 1.00 0.28 H new ATOM 0 HG3 ARG A 142 8.076 -5.183 0.971 1.00 0.28 H new ATOM 0 HD2 ARG A 142 8.072 -3.747 2.984 1.00 1.02 H new ATOM 0 HD3 ARG A 142 6.674 -2.861 2.410 1.00 1.02 H new ATOM 0 HE ARG A 142 5.666 -5.429 2.311 1.00 0.94 H new ATOM 0 HH11 ARG A 142 8.252 -5.330 4.359 1.00 2.10 H new ATOM 0 HH12 ARG A 142 7.351 -5.544 5.864 1.00 2.10 H new ATOM 0 HH21 ARG A 142 4.238 -5.001 4.367 1.00 2.24 H new ATOM 0 HH22 ARG A 142 5.098 -5.359 5.868 1.00 2.24 H new ATOM 866 N GLU A 143 8.591 -0.705 -1.670 1.00 0.26 N ATOM 867 CA GLU A 143 9.301 0.565 -2.031 1.00 0.31 C ATOM 868 C GLU A 143 8.284 1.692 -2.215 1.00 0.30 C ATOM 869 O GLU A 143 8.400 2.757 -1.632 1.00 0.31 O ATOM 870 CB GLU A 143 10.012 0.265 -3.351 1.00 0.36 C ATOM 871 CG GLU A 143 10.863 1.470 -3.759 1.00 0.44 C ATOM 872 CD GLU A 143 11.988 1.683 -2.739 1.00 0.97 C ATOM 873 OE1 GLU A 143 12.356 0.726 -2.075 1.00 1.62 O ATOM 874 OE2 GLU A 143 12.468 2.801 -2.644 1.00 1.84 O ATOM 0 H GLU A 143 8.674 -1.461 -2.350 1.00 0.26 H new ATOM 0 HA GLU A 143 10.001 0.883 -1.259 1.00 0.31 H new ATOM 0 HB2 GLU A 143 10.641 -0.619 -3.244 1.00 0.36 H new ATOM 0 HB3 GLU A 143 9.280 0.043 -4.128 1.00 0.36 H new ATOM 0 HG2 GLU A 143 11.285 1.309 -4.751 1.00 0.44 H new ATOM 0 HG3 GLU A 143 10.240 2.363 -3.819 1.00 0.44 H new ATOM 881 N SER A 144 7.282 1.450 -3.013 1.00 0.29 N ATOM 882 CA SER A 144 6.227 2.485 -3.247 1.00 0.29 C ATOM 883 C SER A 144 5.425 2.729 -1.966 1.00 0.28 C ATOM 884 O SER A 144 4.992 3.833 -1.692 1.00 0.28 O ATOM 885 CB SER A 144 5.325 1.901 -4.330 1.00 0.29 C ATOM 886 OG SER A 144 4.099 2.615 -4.346 1.00 1.34 O ATOM 0 H SER A 144 7.145 0.575 -3.518 1.00 0.29 H new ATOM 0 HA SER A 144 6.656 3.442 -3.543 1.00 0.29 H new ATOM 0 HB2 SER A 144 5.813 1.969 -5.303 1.00 0.29 H new ATOM 0 HB3 SER A 144 5.142 0.844 -4.138 1.00 0.29 H new ATOM 0 HG SER A 144 3.361 2.002 -4.149 1.00 1.34 H new ATOM 892 N LEU A 145 5.216 1.702 -1.189 1.00 0.27 N ATOM 893 CA LEU A 145 4.438 1.858 0.072 1.00 0.28 C ATOM 894 C LEU A 145 5.243 2.674 1.087 1.00 0.30 C ATOM 895 O LEU A 145 4.702 3.500 1.799 1.00 0.30 O ATOM 896 CB LEU A 145 4.204 0.431 0.596 1.00 0.29 C ATOM 897 CG LEU A 145 3.144 -0.292 -0.250 1.00 0.37 C ATOM 898 CD1 LEU A 145 3.122 -1.778 0.121 1.00 0.73 C ATOM 899 CD2 LEU A 145 1.763 0.303 0.034 1.00 0.67 C ATOM 0 H LEU A 145 5.552 0.757 -1.374 1.00 0.27 H new ATOM 0 HA LEU A 145 3.497 2.383 -0.093 1.00 0.28 H new ATOM 0 HB2 LEU A 145 5.139 -0.128 0.572 1.00 0.29 H new ATOM 0 HB3 LEU A 145 3.882 0.469 1.637 1.00 0.29 H new ATOM 0 HG LEU A 145 3.389 -0.172 -1.305 1.00 0.37 H new ATOM 0 HD11 LEU A 145 2.370 -2.292 -0.479 1.00 0.73 H new ATOM 0 HD12 LEU A 145 4.101 -2.216 -0.072 1.00 0.73 H new ATOM 0 HD13 LEU A 145 2.878 -1.886 1.178 1.00 0.73 H new ATOM 0 HD21 LEU A 145 1.014 -0.212 -0.568 1.00 0.67 H new ATOM 0 HD22 LEU A 145 1.525 0.182 1.091 1.00 0.67 H new ATOM 0 HD23 LEU A 145 1.765 1.363 -0.219 1.00 0.67 H new ATOM 911 N LYS A 146 6.529 2.439 1.161 1.00 0.33 N ATOM 912 CA LYS A 146 7.378 3.189 2.138 1.00 0.35 C ATOM 913 C LYS A 146 7.352 4.694 1.845 1.00 0.34 C ATOM 914 O LYS A 146 7.116 5.496 2.729 1.00 0.35 O ATOM 915 CB LYS A 146 8.795 2.639 1.949 1.00 0.41 C ATOM 916 CG LYS A 146 9.603 2.841 3.239 1.00 1.01 C ATOM 917 CD LYS A 146 10.652 3.936 3.033 1.00 1.15 C ATOM 918 CE LYS A 146 11.247 4.325 4.388 1.00 1.96 C ATOM 919 NZ LYS A 146 12.544 4.979 4.066 1.00 2.32 N ATOM 0 H LYS A 146 7.028 1.760 0.587 1.00 0.33 H new ATOM 0 HA LYS A 146 7.019 3.061 3.159 1.00 0.35 H new ATOM 0 HB2 LYS A 146 8.754 1.580 1.696 1.00 0.41 H new ATOM 0 HB3 LYS A 146 9.285 3.146 1.118 1.00 0.41 H new ATOM 0 HG2 LYS A 146 8.936 3.114 4.057 1.00 1.01 H new ATOM 0 HG3 LYS A 146 10.090 1.908 3.523 1.00 1.01 H new ATOM 0 HD2 LYS A 146 11.438 3.582 2.366 1.00 1.15 H new ATOM 0 HD3 LYS A 146 10.198 4.806 2.558 1.00 1.15 H new ATOM 0 HE2 LYS A 146 10.587 5.003 4.929 1.00 1.96 H new ATOM 0 HE3 LYS A 146 11.393 3.450 5.021 1.00 1.96 H new ATOM 0 HZ1 LYS A 146 13.012 5.274 4.947 1.00 2.32 H new ATOM 0 HZ2 LYS A 146 13.154 4.308 3.558 1.00 2.32 H new ATOM 0 HZ3 LYS A 146 12.373 5.813 3.468 1.00 2.32 H new ATOM 933 N VAL A 147 7.604 5.084 0.617 1.00 0.32 N ATOM 934 CA VAL A 147 7.604 6.546 0.285 1.00 0.33 C ATOM 935 C VAL A 147 6.228 7.169 0.560 1.00 0.31 C ATOM 936 O VAL A 147 6.135 8.216 1.174 1.00 0.31 O ATOM 937 CB VAL A 147 7.990 6.649 -1.196 1.00 0.36 C ATOM 938 CG1 VAL A 147 9.398 6.082 -1.385 1.00 0.40 C ATOM 939 CG2 VAL A 147 7.010 5.865 -2.075 1.00 0.36 C ATOM 0 H VAL A 147 7.808 4.460 -0.163 1.00 0.32 H new ATOM 0 HA VAL A 147 8.311 7.097 0.905 1.00 0.33 H new ATOM 0 HB VAL A 147 7.958 7.697 -1.492 1.00 0.36 H new ATOM 0 HG11 VAL A 147 9.680 6.151 -2.436 1.00 0.40 H new ATOM 0 HG12 VAL A 147 10.104 6.652 -0.781 1.00 0.40 H new ATOM 0 HG13 VAL A 147 9.415 5.038 -1.073 1.00 0.40 H new ATOM 0 HG21 VAL A 147 7.307 5.955 -3.120 1.00 0.36 H new ATOM 0 HG22 VAL A 147 7.020 4.815 -1.784 1.00 0.36 H new ATOM 0 HG23 VAL A 147 6.005 6.267 -1.947 1.00 0.36 H new ATOM 949 N TRP A 148 5.162 6.531 0.137 1.00 0.32 N ATOM 950 CA TRP A 148 3.798 7.090 0.411 1.00 0.33 C ATOM 951 C TRP A 148 3.549 7.037 1.926 1.00 0.32 C ATOM 952 O TRP A 148 3.037 7.967 2.516 1.00 0.32 O ATOM 953 CB TRP A 148 2.823 6.183 -0.384 1.00 0.36 C ATOM 954 CG TRP A 148 1.449 6.173 0.239 1.00 0.28 C ATOM 955 CD1 TRP A 148 0.650 7.252 0.416 1.00 0.30 C ATOM 956 CD2 TRP A 148 0.726 5.036 0.783 1.00 0.24 C ATOM 957 NE1 TRP A 148 -0.512 6.844 1.061 1.00 0.23 N ATOM 958 CE2 TRP A 148 -0.511 5.481 1.304 1.00 0.18 C ATOM 959 CE3 TRP A 148 1.031 3.671 0.875 1.00 0.31 C ATOM 960 CZ2 TRP A 148 -1.411 4.585 1.904 1.00 0.17 C ATOM 961 CZ3 TRP A 148 0.129 2.777 1.465 1.00 0.33 C ATOM 962 CH2 TRP A 148 -1.085 3.236 1.980 1.00 0.27 C ATOM 0 H TRP A 148 5.176 5.653 -0.383 1.00 0.32 H new ATOM 0 HA TRP A 148 3.673 8.129 0.106 1.00 0.33 H new ATOM 0 HB2 TRP A 148 2.755 6.534 -1.414 1.00 0.36 H new ATOM 0 HB3 TRP A 148 3.216 5.167 -0.419 1.00 0.36 H new ATOM 0 HD1 TRP A 148 0.878 8.262 0.107 1.00 0.30 H new ATOM 0 HE1 TRP A 148 -1.272 7.472 1.323 1.00 0.23 H new ATOM 0 HE3 TRP A 148 1.970 3.305 0.487 1.00 0.31 H new ATOM 0 HZ2 TRP A 148 -2.349 4.941 2.303 1.00 0.17 H new ATOM 0 HZ3 TRP A 148 0.374 1.727 1.522 1.00 0.33 H new ATOM 0 HH2 TRP A 148 -1.773 2.541 2.439 1.00 0.27 H new ATOM 973 N LYS A 149 3.918 5.949 2.546 1.00 0.36 N ATOM 974 CA LYS A 149 3.721 5.812 4.020 1.00 0.38 C ATOM 975 C LYS A 149 4.481 6.921 4.761 1.00 0.34 C ATOM 976 O LYS A 149 3.964 7.527 5.681 1.00 0.33 O ATOM 977 CB LYS A 149 4.273 4.419 4.349 1.00 0.52 C ATOM 978 CG LYS A 149 4.233 4.164 5.855 1.00 1.36 C ATOM 979 CD LYS A 149 4.659 2.717 6.122 1.00 2.07 C ATOM 980 CE LYS A 149 6.176 2.660 6.331 1.00 2.80 C ATOM 981 NZ LYS A 149 6.431 1.329 6.949 1.00 3.70 N ATOM 0 H LYS A 149 4.350 5.144 2.093 1.00 0.36 H new ATOM 0 HA LYS A 149 2.680 5.911 4.326 1.00 0.38 H new ATOM 0 HB2 LYS A 149 3.688 3.659 3.831 1.00 0.52 H new ATOM 0 HB3 LYS A 149 5.298 4.334 3.988 1.00 0.52 H new ATOM 0 HG2 LYS A 149 4.898 4.855 6.373 1.00 1.36 H new ATOM 0 HG3 LYS A 149 3.229 4.339 6.241 1.00 1.36 H new ATOM 0 HD2 LYS A 149 4.145 2.332 7.003 1.00 2.07 H new ATOM 0 HD3 LYS A 149 4.373 2.082 5.284 1.00 2.07 H new ATOM 0 HE2 LYS A 149 6.709 2.765 5.386 1.00 2.80 H new ATOM 0 HE3 LYS A 149 6.516 3.468 6.979 1.00 2.80 H new ATOM 0 HZ1 LYS A 149 6.750 1.457 7.931 1.00 3.70 H new ATOM 0 HZ2 LYS A 149 5.555 0.768 6.940 1.00 3.70 H new ATOM 0 HZ3 LYS A 149 7.167 0.831 6.409 1.00 3.70 H new ATOM 995 N ASN A 150 5.693 7.206 4.353 1.00 0.37 N ATOM 996 CA ASN A 150 6.475 8.294 5.020 1.00 0.41 C ATOM 997 C ASN A 150 5.796 9.647 4.766 1.00 0.39 C ATOM 998 O ASN A 150 5.775 10.510 5.626 1.00 0.46 O ATOM 999 CB ASN A 150 7.882 8.222 4.395 1.00 0.50 C ATOM 1000 CG ASN A 150 8.710 9.482 4.708 1.00 1.07 C ATOM 1001 OD1 ASN A 150 9.623 9.811 3.978 1.00 1.86 O ATOM 1002 ND2 ASN A 150 8.431 10.209 5.759 1.00 1.27 N ATOM 0 H ASN A 150 6.175 6.733 3.588 1.00 0.37 H new ATOM 0 HA ASN A 150 6.530 8.179 6.103 1.00 0.41 H new ATOM 0 HB2 ASN A 150 8.403 7.342 4.772 1.00 0.50 H new ATOM 0 HB3 ASN A 150 7.795 8.103 3.315 1.00 0.50 H new ATOM 0 HD21 ASN A 150 8.979 11.046 5.960 1.00 1.27 H new ATOM 0 HD22 ASN A 150 7.666 9.939 6.377 1.00 1.27 H new ATOM 1009 N ALA A 151 5.253 9.837 3.592 1.00 0.38 N ATOM 1010 CA ALA A 151 4.584 11.136 3.276 1.00 0.49 C ATOM 1011 C ALA A 151 3.318 11.312 4.119 1.00 0.53 C ATOM 1012 O ALA A 151 3.046 12.388 4.618 1.00 0.72 O ATOM 1013 CB ALA A 151 4.219 11.054 1.791 1.00 0.57 C ATOM 0 H ALA A 151 5.243 9.150 2.838 1.00 0.38 H new ATOM 0 HA ALA A 151 5.233 11.984 3.494 1.00 0.49 H new ATOM 0 HB1 ALA A 151 3.723 11.976 1.487 1.00 0.57 H new ATOM 0 HB2 ALA A 151 5.125 10.918 1.201 1.00 0.57 H new ATOM 0 HB3 ALA A 151 3.549 10.210 1.627 1.00 0.57 H new ATOM 1019 N GLU A 152 2.536 10.271 4.272 1.00 0.40 N ATOM 1020 CA GLU A 152 1.281 10.390 5.074 1.00 0.50 C ATOM 1021 C GLU A 152 1.589 10.438 6.573 1.00 0.60 C ATOM 1022 O GLU A 152 2.190 9.529 7.114 1.00 1.48 O ATOM 1023 CB GLU A 152 0.472 9.128 4.762 1.00 0.44 C ATOM 1024 CG GLU A 152 0.170 9.047 3.264 1.00 0.77 C ATOM 1025 CD GLU A 152 -0.639 10.266 2.806 1.00 1.10 C ATOM 1026 OE1 GLU A 152 -1.297 10.867 3.634 1.00 1.81 O ATOM 1027 OE2 GLU A 152 -0.580 10.581 1.630 1.00 1.66 O ATOM 0 H GLU A 152 2.713 9.347 3.877 1.00 0.40 H new ATOM 0 HA GLU A 152 0.743 11.305 4.824 1.00 0.50 H new ATOM 0 HB2 GLU A 152 1.028 8.245 5.076 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -0.460 9.136 5.328 1.00 0.44 H new ATOM 0 HG2 GLU A 152 1.103 8.992 2.703 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -0.386 8.134 3.049 1.00 0.77 H new ATOM 1034 N LYS A 153 1.142 11.464 7.255 1.00 0.76 N ATOM 1035 CA LYS A 153 1.359 11.531 8.732 1.00 0.67 C ATOM 1036 C LYS A 153 0.163 10.856 9.418 1.00 0.64 C ATOM 1037 O LYS A 153 0.223 9.701 9.792 1.00 0.57 O ATOM 1038 CB LYS A 153 1.441 13.023 9.072 1.00 0.86 C ATOM 1039 CG LYS A 153 2.742 13.615 8.518 1.00 1.17 C ATOM 1040 CD LYS A 153 2.809 15.106 8.864 1.00 1.57 C ATOM 1041 CE LYS A 153 4.113 15.703 8.327 1.00 2.22 C ATOM 1042 NZ LYS A 153 3.906 17.180 8.357 1.00 2.51 N ATOM 0 H LYS A 153 0.638 12.255 6.854 1.00 0.76 H new ATOM 0 HA LYS A 153 2.264 11.023 9.064 1.00 0.67 H new ATOM 0 HB2 LYS A 153 0.584 13.548 8.650 1.00 0.86 H new ATOM 0 HB3 LYS A 153 1.400 13.161 10.152 1.00 0.86 H new ATOM 0 HG2 LYS A 153 3.601 13.093 8.940 1.00 1.17 H new ATOM 0 HG3 LYS A 153 2.786 13.479 7.437 1.00 1.17 H new ATOM 0 HD2 LYS A 153 1.954 15.628 8.433 1.00 1.57 H new ATOM 0 HD3 LYS A 153 2.754 15.241 9.944 1.00 1.57 H new ATOM 0 HE2 LYS A 153 4.963 15.412 8.944 1.00 2.22 H new ATOM 0 HE3 LYS A 153 4.319 15.354 7.315 1.00 2.22 H new ATOM 0 HZ1 LYS A 153 4.759 17.657 8.003 1.00 2.51 H new ATOM 0 HZ2 LYS A 153 3.095 17.429 7.756 1.00 2.51 H new ATOM 0 HZ3 LYS A 153 3.719 17.485 9.334 1.00 2.51 H new ATOM 1056 N LYS A 154 -0.939 11.556 9.546 1.00 0.73 N ATOM 1057 CA LYS A 154 -2.158 10.938 10.149 1.00 0.77 C ATOM 1058 C LYS A 154 -2.735 9.894 9.176 1.00 0.62 C ATOM 1059 O LYS A 154 -3.329 8.907 9.577 1.00 0.60 O ATOM 1060 CB LYS A 154 -3.139 12.092 10.365 1.00 0.95 C ATOM 1061 CG LYS A 154 -4.432 11.555 10.979 1.00 1.29 C ATOM 1062 CD LYS A 154 -4.161 11.040 12.393 1.00 1.34 C ATOM 1063 CE LYS A 154 -5.469 10.530 12.999 1.00 2.02 C ATOM 1064 NZ LYS A 154 -6.056 11.714 13.685 1.00 2.51 N ATOM 0 H LYS A 154 -1.045 12.529 9.258 1.00 0.73 H new ATOM 0 HA LYS A 154 -1.948 10.424 11.087 1.00 0.77 H new ATOM 0 HB2 LYS A 154 -2.696 12.841 11.021 1.00 0.95 H new ATOM 0 HB3 LYS A 154 -3.352 12.585 9.416 1.00 0.95 H new ATOM 0 HG2 LYS A 154 -5.186 12.342 11.007 1.00 1.29 H new ATOM 0 HG3 LYS A 154 -4.833 10.752 10.360 1.00 1.29 H new ATOM 0 HD2 LYS A 154 -3.422 10.240 12.366 1.00 1.34 H new ATOM 0 HD3 LYS A 154 -3.746 11.837 13.010 1.00 1.34 H new ATOM 0 HE2 LYS A 154 -6.139 10.146 12.229 1.00 2.02 H new ATOM 0 HE3 LYS A 154 -5.289 9.715 13.700 1.00 2.02 H new ATOM 0 HZ1 LYS A 154 -6.958 11.447 14.128 1.00 2.51 H new ATOM 0 HZ2 LYS A 154 -5.399 12.053 14.416 1.00 2.51 H new ATOM 0 HZ3 LYS A 154 -6.222 12.471 12.991 1.00 2.51 H new ATOM 1078 N ASN A 155 -2.565 10.119 7.892 1.00 0.57 N ATOM 1079 CA ASN A 155 -3.111 9.169 6.872 1.00 0.47 C ATOM 1080 C ASN A 155 -2.297 7.871 6.836 1.00 0.37 C ATOM 1081 O ASN A 155 -2.672 6.926 6.166 1.00 0.34 O ATOM 1082 CB ASN A 155 -2.992 9.901 5.533 1.00 0.51 C ATOM 1083 CG ASN A 155 -4.341 10.518 5.150 1.00 0.76 C ATOM 1084 OD1 ASN A 155 -4.978 10.077 4.214 1.00 1.37 O ATOM 1085 ND2 ASN A 155 -4.812 11.519 5.841 1.00 1.03 N ATOM 0 H ASN A 155 -2.069 10.923 7.508 1.00 0.57 H new ATOM 0 HA ASN A 155 -4.139 8.888 7.101 1.00 0.47 H new ATOM 0 HB2 ASN A 155 -2.233 10.680 5.602 1.00 0.51 H new ATOM 0 HB3 ASN A 155 -2.667 9.207 4.758 1.00 0.51 H new ATOM 0 HD21 ASN A 155 -5.713 11.929 5.595 1.00 1.03 H new ATOM 0 HD22 ASN A 155 -4.280 11.891 6.627 1.00 1.03 H new ATOM 1092 N ALA A 156 -1.205 7.797 7.568 1.00 0.37 N ATOM 1093 CA ALA A 156 -0.405 6.535 7.580 1.00 0.33 C ATOM 1094 C ALA A 156 -1.223 5.415 8.229 1.00 0.28 C ATOM 1095 O ALA A 156 -0.861 4.259 8.144 1.00 0.28 O ATOM 1096 CB ALA A 156 0.837 6.825 8.430 1.00 0.41 C ATOM 0 H ALA A 156 -0.840 8.551 8.151 1.00 0.37 H new ATOM 0 HA ALA A 156 -0.136 6.221 6.572 1.00 0.33 H new ATOM 0 HB1 ALA A 156 1.463 5.934 8.475 1.00 0.41 H new ATOM 0 HB2 ALA A 156 1.401 7.643 7.982 1.00 0.41 H new ATOM 0 HB3 ALA A 156 0.531 7.105 9.438 1.00 0.41 H new ATOM 1102 N SER A 157 -2.329 5.735 8.865 1.00 0.28 N ATOM 1103 CA SER A 157 -3.138 4.661 9.489 1.00 0.28 C ATOM 1104 C SER A 157 -4.040 4.031 8.435 1.00 0.22 C ATOM 1105 O SER A 157 -4.198 4.543 7.329 1.00 0.21 O ATOM 1106 CB SER A 157 -3.968 5.349 10.577 1.00 0.34 C ATOM 1107 OG SER A 157 -4.348 6.654 10.145 1.00 1.05 O ATOM 0 H SER A 157 -2.694 6.681 8.973 1.00 0.28 H new ATOM 0 HA SER A 157 -2.523 3.866 9.910 1.00 0.28 H new ATOM 0 HB2 SER A 157 -4.856 4.757 10.798 1.00 0.34 H new ATOM 0 HB3 SER A 157 -3.391 5.415 11.499 1.00 0.34 H new ATOM 0 HG SER A 157 -3.650 7.296 10.391 1.00 1.05 H new ATOM 1113 N VAL A 158 -4.616 2.908 8.758 1.00 0.23 N ATOM 1114 CA VAL A 158 -5.494 2.223 7.777 1.00 0.22 C ATOM 1115 C VAL A 158 -6.658 3.131 7.391 1.00 0.18 C ATOM 1116 O VAL A 158 -6.975 3.255 6.233 1.00 0.18 O ATOM 1117 CB VAL A 158 -5.991 0.951 8.459 1.00 0.28 C ATOM 1118 CG1 VAL A 158 -4.798 0.062 8.811 1.00 0.34 C ATOM 1119 CG2 VAL A 158 -6.763 1.294 9.738 1.00 0.27 C ATOM 0 H VAL A 158 -4.516 2.437 9.657 1.00 0.23 H new ATOM 0 HA VAL A 158 -4.960 1.983 6.858 1.00 0.22 H new ATOM 0 HB VAL A 158 -6.657 0.425 7.775 1.00 0.28 H new ATOM 0 HG11 VAL A 158 -5.152 -0.846 9.298 1.00 0.34 H new ATOM 0 HG12 VAL A 158 -4.259 -0.201 7.901 1.00 0.34 H new ATOM 0 HG13 VAL A 158 -4.131 0.599 9.486 1.00 0.34 H new ATOM 0 HG21 VAL A 158 -7.110 0.375 10.211 1.00 0.27 H new ATOM 0 HG22 VAL A 158 -6.109 1.831 10.425 1.00 0.27 H new ATOM 0 HG23 VAL A 158 -7.620 1.920 9.489 1.00 0.27 H new ATOM 1129 N ALA A 159 -7.276 3.792 8.354 1.00 0.15 N ATOM 1130 CA ALA A 159 -8.421 4.719 8.042 1.00 0.13 C ATOM 1131 C ALA A 159 -8.066 5.618 6.859 1.00 0.13 C ATOM 1132 O ALA A 159 -8.910 5.972 6.056 1.00 0.15 O ATOM 1133 CB ALA A 159 -8.627 5.551 9.308 1.00 0.12 C ATOM 0 H ALA A 159 -7.035 3.728 9.343 1.00 0.15 H new ATOM 0 HA ALA A 159 -9.324 4.175 7.767 1.00 0.13 H new ATOM 0 HB1 ALA A 159 -9.448 6.251 9.154 1.00 0.12 H new ATOM 0 HB2 ALA A 159 -8.864 4.891 10.142 1.00 0.12 H new ATOM 0 HB3 ALA A 159 -7.715 6.105 9.532 1.00 0.12 H new ATOM 1139 N GLY A 160 -6.809 5.944 6.732 1.00 0.13 N ATOM 1140 CA GLY A 160 -6.375 6.778 5.583 1.00 0.15 C ATOM 1141 C GLY A 160 -6.461 5.945 4.309 1.00 0.16 C ATOM 1142 O GLY A 160 -7.253 6.226 3.429 1.00 0.18 O ATOM 0 H GLY A 160 -6.067 5.668 7.375 1.00 0.13 H new ATOM 0 HA2 GLY A 160 -7.007 7.662 5.499 1.00 0.15 H new ATOM 0 HA3 GLY A 160 -5.354 7.129 5.736 1.00 0.15 H new ATOM 1146 N LEU A 161 -5.640 4.930 4.198 1.00 0.16 N ATOM 1147 CA LEU A 161 -5.664 4.083 2.963 1.00 0.18 C ATOM 1148 C LEU A 161 -7.026 3.384 2.752 1.00 0.20 C ATOM 1149 O LEU A 161 -7.519 3.343 1.640 1.00 0.28 O ATOM 1150 CB LEU A 161 -4.561 3.045 3.156 1.00 0.19 C ATOM 1151 CG LEU A 161 -4.480 2.162 1.904 1.00 0.22 C ATOM 1152 CD1 LEU A 161 -3.834 2.942 0.751 1.00 0.23 C ATOM 1153 CD2 LEU A 161 -3.665 0.898 2.217 1.00 0.27 C ATOM 0 H LEU A 161 -4.958 4.652 4.904 1.00 0.16 H new ATOM 0 HA LEU A 161 -5.509 4.699 2.077 1.00 0.18 H new ATOM 0 HB2 LEU A 161 -3.605 3.539 3.330 1.00 0.19 H new ATOM 0 HB3 LEU A 161 -4.769 2.434 4.035 1.00 0.19 H new ATOM 0 HG LEU A 161 -5.486 1.870 1.603 1.00 0.22 H new ATOM 0 HD11 LEU A 161 -3.781 2.307 -0.133 1.00 0.23 H new ATOM 0 HD12 LEU A 161 -4.433 3.825 0.528 1.00 0.23 H new ATOM 0 HD13 LEU A 161 -2.828 3.249 1.038 1.00 0.23 H new ATOM 0 HD21 LEU A 161 -3.608 0.272 1.327 1.00 0.27 H new ATOM 0 HD22 LEU A 161 -2.659 1.181 2.526 1.00 0.27 H new ATOM 0 HD23 LEU A 161 -4.149 0.343 3.021 1.00 0.27 H new ATOM 1165 N VAL A 162 -7.630 2.804 3.777 1.00 0.22 N ATOM 1166 CA VAL A 162 -8.934 2.090 3.553 1.00 0.26 C ATOM 1167 C VAL A 162 -9.963 3.050 2.976 1.00 0.29 C ATOM 1168 O VAL A 162 -10.693 2.713 2.062 1.00 0.34 O ATOM 1169 CB VAL A 162 -9.390 1.546 4.915 1.00 0.30 C ATOM 1170 CG1 VAL A 162 -8.319 0.622 5.492 1.00 0.30 C ATOM 1171 CG2 VAL A 162 -9.667 2.679 5.905 1.00 0.31 C ATOM 0 H VAL A 162 -7.283 2.796 4.736 1.00 0.22 H new ATOM 0 HA VAL A 162 -8.819 1.273 2.840 1.00 0.26 H new ATOM 0 HB VAL A 162 -10.315 0.991 4.759 1.00 0.30 H new ATOM 0 HG11 VAL A 162 -8.650 0.240 6.458 1.00 0.30 H new ATOM 0 HG12 VAL A 162 -8.152 -0.212 4.810 1.00 0.30 H new ATOM 0 HG13 VAL A 162 -7.390 1.177 5.620 1.00 0.30 H new ATOM 0 HG21 VAL A 162 -9.988 2.259 6.858 1.00 0.31 H new ATOM 0 HG22 VAL A 162 -8.759 3.263 6.053 1.00 0.31 H new ATOM 0 HG23 VAL A 162 -10.452 3.323 5.510 1.00 0.31 H new ATOM 1181 N LYS A 163 -10.004 4.250 3.479 1.00 0.29 N ATOM 1182 CA LYS A 163 -10.967 5.251 2.933 1.00 0.34 C ATOM 1183 C LYS A 163 -10.667 5.508 1.451 1.00 0.36 C ATOM 1184 O LYS A 163 -11.537 5.447 0.607 1.00 0.39 O ATOM 1185 CB LYS A 163 -10.749 6.519 3.762 1.00 0.33 C ATOM 1186 CG LYS A 163 -11.738 7.597 3.313 1.00 0.39 C ATOM 1187 CD LYS A 163 -11.542 8.862 4.150 1.00 1.30 C ATOM 1188 CE LYS A 163 -12.536 9.931 3.692 1.00 1.51 C ATOM 1189 NZ LYS A 163 -12.416 11.026 4.694 1.00 2.30 N ATOM 0 H LYS A 163 -9.415 4.583 4.242 1.00 0.29 H new ATOM 0 HA LYS A 163 -12.000 4.909 2.995 1.00 0.34 H new ATOM 0 HB2 LYS A 163 -10.887 6.302 4.821 1.00 0.33 H new ATOM 0 HB3 LYS A 163 -9.726 6.875 3.640 1.00 0.33 H new ATOM 0 HG2 LYS A 163 -11.590 7.822 2.257 1.00 0.39 H new ATOM 0 HG3 LYS A 163 -12.760 7.233 3.421 1.00 0.39 H new ATOM 0 HD2 LYS A 163 -11.691 8.639 5.207 1.00 1.30 H new ATOM 0 HD3 LYS A 163 -10.521 9.228 4.042 1.00 1.30 H new ATOM 0 HE2 LYS A 163 -12.299 10.286 2.689 1.00 1.51 H new ATOM 0 HE3 LYS A 163 -13.552 9.537 3.658 1.00 1.51 H new ATOM 0 HZ1 LYS A 163 -13.069 11.797 4.446 1.00 2.30 H new ATOM 0 HZ2 LYS A 163 -12.654 10.660 5.638 1.00 2.30 H new ATOM 0 HZ3 LYS A 163 -11.441 11.387 4.699 1.00 2.30 H new ATOM 1203 N ALA A 164 -9.429 5.795 1.142 1.00 0.36 N ATOM 1204 CA ALA A 164 -9.037 6.066 -0.278 1.00 0.39 C ATOM 1205 C ALA A 164 -9.197 4.831 -1.176 1.00 0.39 C ATOM 1206 O ALA A 164 -9.816 4.899 -2.220 1.00 0.33 O ATOM 1207 CB ALA A 164 -7.567 6.480 -0.218 1.00 0.44 C ATOM 0 H ALA A 164 -8.666 5.854 1.816 1.00 0.36 H new ATOM 0 HA ALA A 164 -9.678 6.834 -0.711 1.00 0.39 H new ATOM 0 HB1 ALA A 164 -7.208 6.695 -1.225 1.00 0.44 H new ATOM 0 HB2 ALA A 164 -7.465 7.371 0.402 1.00 0.44 H new ATOM 0 HB3 ALA A 164 -6.978 5.670 0.212 1.00 0.44 H new ATOM 1213 N LEU A 165 -8.597 3.720 -0.808 1.00 0.50 N ATOM 1214 CA LEU A 165 -8.667 2.507 -1.684 1.00 0.55 C ATOM 1215 C LEU A 165 -10.112 2.027 -1.938 1.00 0.45 C ATOM 1216 O LEU A 165 -10.465 1.722 -3.063 1.00 0.42 O ATOM 1217 CB LEU A 165 -7.793 1.430 -0.993 1.00 0.80 C ATOM 1218 CG LEU A 165 -8.421 0.914 0.316 1.00 0.52 C ATOM 1219 CD1 LEU A 165 -9.463 -0.175 0.017 1.00 1.47 C ATOM 1220 CD2 LEU A 165 -7.312 0.313 1.201 1.00 1.24 C ATOM 0 H LEU A 165 -8.066 3.603 0.055 1.00 0.50 H new ATOM 0 HA LEU A 165 -8.292 2.733 -2.682 1.00 0.55 H new ATOM 0 HB2 LEU A 165 -7.645 0.593 -1.676 1.00 0.80 H new ATOM 0 HB3 LEU A 165 -6.808 1.847 -0.781 1.00 0.80 H new ATOM 0 HG LEU A 165 -8.909 1.744 0.827 1.00 0.52 H new ATOM 0 HD11 LEU A 165 -9.897 -0.529 0.952 1.00 1.47 H new ATOM 0 HD12 LEU A 165 -10.249 0.238 -0.615 1.00 1.47 H new ATOM 0 HD13 LEU A 165 -8.982 -1.007 -0.498 1.00 1.47 H new ATOM 0 HD21 LEU A 165 -7.747 -0.055 2.130 1.00 1.24 H new ATOM 0 HD22 LEU A 165 -6.832 -0.511 0.674 1.00 1.24 H new ATOM 0 HD23 LEU A 165 -6.571 1.080 1.426 1.00 1.24 H new ATOM 1232 N ARG A 166 -10.941 1.930 -0.929 1.00 0.47 N ATOM 1233 CA ARG A 166 -12.341 1.434 -1.158 1.00 0.45 C ATOM 1234 C ARG A 166 -13.190 2.453 -1.928 1.00 0.41 C ATOM 1235 O ARG A 166 -13.973 2.086 -2.785 1.00 0.52 O ATOM 1236 CB ARG A 166 -12.915 1.175 0.243 1.00 0.52 C ATOM 1237 CG ARG A 166 -14.363 0.684 0.130 1.00 1.19 C ATOM 1238 CD ARG A 166 -14.930 0.426 1.527 1.00 1.53 C ATOM 1239 NE ARG A 166 -16.323 -0.040 1.290 1.00 2.29 N ATOM 1240 CZ ARG A 166 -17.293 0.828 1.201 1.00 2.88 C ATOM 1241 NH1 ARG A 166 -17.750 1.404 2.278 1.00 3.60 N ATOM 1242 NH2 ARG A 166 -17.803 1.123 0.036 1.00 3.25 N ATOM 0 H ARG A 166 -10.716 2.169 0.037 1.00 0.47 H new ATOM 0 HA ARG A 166 -12.346 0.533 -1.772 1.00 0.45 H new ATOM 0 HB2 ARG A 166 -12.309 0.432 0.762 1.00 0.52 H new ATOM 0 HB3 ARG A 166 -12.877 2.089 0.836 1.00 0.52 H new ATOM 0 HG2 ARG A 166 -14.970 1.427 -0.388 1.00 1.19 H new ATOM 0 HG3 ARG A 166 -14.402 -0.229 -0.463 1.00 1.19 H new ATOM 0 HD2 ARG A 166 -14.346 -0.326 2.059 1.00 1.53 H new ATOM 0 HD3 ARG A 166 -14.913 1.331 2.134 1.00 1.53 H new ATOM 0 HE ARG A 166 -16.519 -1.037 1.197 1.00 2.29 H new ATOM 0 HH11 ARG A 166 -17.349 1.176 3.188 1.00 3.60 H new ATOM 0 HH12 ARG A 166 -18.508 2.083 2.211 1.00 3.60 H new ATOM 0 HH21 ARG A 166 -17.443 0.675 -0.807 1.00 3.25 H new ATOM 0 HH22 ARG A 166 -18.561 1.802 -0.032 1.00 3.25 H new ATOM 1256 N THR A 167 -13.055 3.716 -1.629 1.00 0.33 N ATOM 1257 CA THR A 167 -13.871 4.747 -2.346 1.00 0.36 C ATOM 1258 C THR A 167 -13.584 4.705 -3.843 1.00 0.35 C ATOM 1259 O THR A 167 -14.476 4.848 -4.658 1.00 0.41 O ATOM 1260 CB THR A 167 -13.440 6.088 -1.755 1.00 0.42 C ATOM 1261 OG1 THR A 167 -13.704 6.089 -0.361 1.00 0.44 O ATOM 1262 CG2 THR A 167 -14.217 7.231 -2.418 1.00 0.47 C ATOM 0 H THR A 167 -12.418 4.082 -0.922 1.00 0.33 H new ATOM 0 HA THR A 167 -14.941 4.576 -2.224 1.00 0.36 H new ATOM 0 HB THR A 167 -12.374 6.232 -1.933 1.00 0.42 H new ATOM 0 HG1 THR A 167 -12.875 6.271 0.129 1.00 0.44 H new ATOM 0 HG21 THR A 167 -13.902 8.182 -1.989 1.00 0.47 H new ATOM 0 HG22 THR A 167 -14.018 7.233 -3.490 1.00 0.47 H new ATOM 0 HG23 THR A 167 -15.285 7.092 -2.247 1.00 0.47 H new ATOM 1270 N CYS A 168 -12.343 4.526 -4.204 1.00 0.32 N ATOM 1271 CA CYS A 168 -11.985 4.496 -5.649 1.00 0.36 C ATOM 1272 C CYS A 168 -12.376 3.161 -6.290 1.00 0.31 C ATOM 1273 O CYS A 168 -13.129 3.135 -7.245 1.00 0.34 O ATOM 1274 CB CYS A 168 -10.464 4.674 -5.679 1.00 0.40 C ATOM 1275 SG CYS A 168 -10.057 6.416 -5.408 1.00 1.38 S ATOM 0 H CYS A 168 -11.562 4.399 -3.560 1.00 0.32 H new ATOM 0 HA CYS A 168 -12.509 5.270 -6.210 1.00 0.36 H new ATOM 0 HB2 CYS A 168 -9.999 4.057 -4.910 1.00 0.40 H new ATOM 0 HB3 CYS A 168 -10.067 4.341 -6.638 1.00 0.40 H new ATOM 0 HG CYS A 168 -8.766 6.569 -5.431 1.00 1.38 H new ATOM 1281 N ARG A 169 -11.881 2.054 -5.773 1.00 0.30 N ATOM 1282 CA ARG A 169 -12.241 0.706 -6.378 1.00 0.31 C ATOM 1283 C ARG A 169 -11.591 -0.490 -5.659 1.00 0.26 C ATOM 1284 O ARG A 169 -11.901 -1.627 -5.965 1.00 0.34 O ATOM 1285 CB ARG A 169 -11.734 0.736 -7.829 1.00 0.44 C ATOM 1286 CG ARG A 169 -12.267 -0.493 -8.571 1.00 0.69 C ATOM 1287 CD ARG A 169 -12.099 -0.305 -10.082 1.00 0.84 C ATOM 1288 NE ARG A 169 -10.633 -0.383 -10.327 1.00 1.56 N ATOM 1289 CZ ARG A 169 -10.190 -0.873 -11.452 1.00 2.15 C ATOM 1290 NH1 ARG A 169 -10.326 -0.193 -12.557 1.00 2.74 N ATOM 1291 NH2 ARG A 169 -9.618 -2.046 -11.473 1.00 2.73 N ATOM 0 H ARG A 169 -11.252 2.016 -4.971 1.00 0.30 H new ATOM 0 HA ARG A 169 -13.318 0.565 -6.292 1.00 0.31 H new ATOM 0 HB2 ARG A 169 -12.066 1.648 -8.325 1.00 0.44 H new ATOM 0 HB3 ARG A 169 -10.644 0.743 -7.847 1.00 0.44 H new ATOM 0 HG2 ARG A 169 -11.732 -1.385 -8.245 1.00 0.69 H new ATOM 0 HG3 ARG A 169 -13.319 -0.646 -8.330 1.00 0.69 H new ATOM 0 HD2 ARG A 169 -12.632 -1.078 -10.636 1.00 0.84 H new ATOM 0 HD3 ARG A 169 -12.501 0.655 -10.406 1.00 0.84 H new ATOM 0 HE ARG A 169 -9.977 -0.055 -9.618 1.00 1.56 H new ATOM 0 HH11 ARG A 169 -10.778 0.721 -12.541 1.00 2.74 H new ATOM 0 HH12 ARG A 169 -9.980 -0.575 -13.437 1.00 2.74 H new ATOM 0 HH21 ARG A 169 -9.517 -2.580 -10.610 1.00 2.73 H new ATOM 0 HH22 ARG A 169 -9.272 -2.429 -12.353 1.00 2.73 H new ATOM 1305 N LEU A 170 -10.673 -0.267 -4.759 1.00 0.20 N ATOM 1306 CA LEU A 170 -9.984 -1.411 -4.087 1.00 0.17 C ATOM 1307 C LEU A 170 -10.855 -2.025 -2.983 1.00 0.19 C ATOM 1308 O LEU A 170 -10.464 -2.105 -1.837 1.00 0.23 O ATOM 1309 CB LEU A 170 -8.721 -0.785 -3.498 1.00 0.18 C ATOM 1310 CG LEU A 170 -7.798 -0.310 -4.627 1.00 0.21 C ATOM 1311 CD1 LEU A 170 -7.734 1.221 -4.647 1.00 0.26 C ATOM 1312 CD2 LEU A 170 -6.389 -0.853 -4.389 1.00 0.25 C ATOM 0 H LEU A 170 -10.368 0.659 -4.458 1.00 0.20 H new ATOM 0 HA LEU A 170 -9.771 -2.227 -4.778 1.00 0.17 H new ATOM 0 HB2 LEU A 170 -8.986 0.055 -2.856 1.00 0.18 H new ATOM 0 HB3 LEU A 170 -8.202 -1.512 -2.874 1.00 0.18 H new ATOM 0 HG LEU A 170 -8.189 -0.672 -5.578 1.00 0.21 H new ATOM 0 HD11 LEU A 170 -7.076 1.547 -5.452 1.00 0.26 H new ATOM 0 HD12 LEU A 170 -8.733 1.625 -4.809 1.00 0.26 H new ATOM 0 HD13 LEU A 170 -7.347 1.581 -3.694 1.00 0.26 H new ATOM 0 HD21 LEU A 170 -5.730 -0.518 -5.190 1.00 0.25 H new ATOM 0 HD22 LEU A 170 -6.015 -0.487 -3.433 1.00 0.25 H new ATOM 0 HD23 LEU A 170 -6.417 -1.943 -4.374 1.00 0.25 H new ATOM 1324 N ASN A 171 -12.030 -2.472 -3.329 1.00 0.24 N ATOM 1325 CA ASN A 171 -12.934 -3.098 -2.317 1.00 0.30 C ATOM 1326 C ASN A 171 -12.256 -4.307 -1.661 1.00 0.24 C ATOM 1327 O ASN A 171 -12.513 -4.627 -0.515 1.00 0.25 O ATOM 1328 CB ASN A 171 -14.153 -3.554 -3.116 1.00 0.40 C ATOM 1329 CG ASN A 171 -15.395 -3.474 -2.236 1.00 0.50 C ATOM 1330 OD1 ASN A 171 -15.953 -4.481 -1.849 1.00 0.58 O ATOM 1331 ND2 ASN A 171 -15.850 -2.300 -1.908 1.00 0.59 N ATOM 0 H ASN A 171 -12.408 -2.431 -4.276 1.00 0.24 H new ATOM 0 HA ASN A 171 -13.192 -2.405 -1.516 1.00 0.30 H new ATOM 0 HB2 ASN A 171 -14.278 -2.927 -3.999 1.00 0.40 H new ATOM 0 HB3 ASN A 171 -14.009 -4.575 -3.469 1.00 0.40 H new ATOM 0 HD21 ASN A 171 -16.681 -2.221 -1.322 1.00 0.59 H new ATOM 0 HD22 ASN A 171 -15.376 -1.459 -2.237 1.00 0.59 H new ATOM 1338 N LEU A 172 -11.417 -4.998 -2.395 1.00 0.21 N ATOM 1339 CA LEU A 172 -10.742 -6.214 -1.831 1.00 0.21 C ATOM 1340 C LEU A 172 -9.978 -5.895 -0.548 1.00 0.17 C ATOM 1341 O LEU A 172 -10.312 -6.378 0.514 1.00 0.21 O ATOM 1342 CB LEU A 172 -9.740 -6.651 -2.901 1.00 0.23 C ATOM 1343 CG LEU A 172 -10.487 -7.212 -4.109 1.00 0.32 C ATOM 1344 CD1 LEU A 172 -9.503 -7.413 -5.263 1.00 1.13 C ATOM 1345 CD2 LEU A 172 -11.123 -8.556 -3.735 1.00 0.85 C ATOM 0 H LEU A 172 -11.170 -4.774 -3.359 1.00 0.21 H new ATOM 0 HA LEU A 172 -11.478 -6.979 -1.586 1.00 0.21 H new ATOM 0 HB2 LEU A 172 -9.124 -5.804 -3.204 1.00 0.23 H new ATOM 0 HB3 LEU A 172 -9.067 -7.406 -2.495 1.00 0.23 H new ATOM 0 HG LEU A 172 -11.268 -6.515 -4.414 1.00 0.32 H new ATOM 0 HD11 LEU A 172 -10.033 -7.813 -6.127 1.00 1.13 H new ATOM 0 HD12 LEU A 172 -9.050 -6.457 -5.526 1.00 1.13 H new ATOM 0 HD13 LEU A 172 -8.724 -8.112 -4.959 1.00 1.13 H new ATOM 0 HD21 LEU A 172 -11.657 -8.958 -4.596 1.00 0.85 H new ATOM 0 HD22 LEU A 172 -10.344 -9.255 -3.432 1.00 0.85 H new ATOM 0 HD23 LEU A 172 -11.821 -8.411 -2.911 1.00 0.85 H new ATOM 1357 N VAL A 173 -8.955 -5.087 -0.641 1.00 0.16 N ATOM 1358 CA VAL A 173 -8.151 -4.753 0.573 1.00 0.21 C ATOM 1359 C VAL A 173 -9.021 -4.076 1.624 1.00 0.22 C ATOM 1360 O VAL A 173 -8.799 -4.230 2.811 1.00 0.25 O ATOM 1361 CB VAL A 173 -7.026 -3.829 0.103 1.00 0.29 C ATOM 1362 CG1 VAL A 173 -6.045 -4.640 -0.744 1.00 0.38 C ATOM 1363 CG2 VAL A 173 -7.579 -2.661 -0.728 1.00 0.34 C ATOM 0 H VAL A 173 -8.641 -4.644 -1.504 1.00 0.16 H new ATOM 0 HA VAL A 173 -7.744 -5.650 1.040 1.00 0.21 H new ATOM 0 HB VAL A 173 -6.523 -3.414 0.976 1.00 0.29 H new ATOM 0 HG11 VAL A 173 -5.238 -3.992 -1.086 1.00 0.38 H new ATOM 0 HG12 VAL A 173 -5.631 -5.451 -0.145 1.00 0.38 H new ATOM 0 HG13 VAL A 173 -6.566 -5.056 -1.606 1.00 0.38 H new ATOM 0 HG21 VAL A 173 -6.757 -2.021 -1.048 1.00 0.34 H new ATOM 0 HG22 VAL A 173 -8.098 -3.051 -1.604 1.00 0.34 H new ATOM 0 HG23 VAL A 173 -8.275 -2.081 -0.122 1.00 0.34 H new ATOM 1373 N ALA A 174 -10.026 -3.354 1.206 1.00 0.27 N ATOM 1374 CA ALA A 174 -10.933 -2.694 2.200 1.00 0.34 C ATOM 1375 C ALA A 174 -11.577 -3.770 3.089 1.00 0.29 C ATOM 1376 O ALA A 174 -11.679 -3.628 4.293 1.00 0.32 O ATOM 1377 CB ALA A 174 -11.992 -1.984 1.359 1.00 0.43 C ATOM 0 H ALA A 174 -10.260 -3.191 0.227 1.00 0.27 H new ATOM 0 HA ALA A 174 -10.410 -1.997 2.855 1.00 0.34 H new ATOM 0 HB1 ALA A 174 -12.697 -1.475 2.016 1.00 0.43 H new ATOM 0 HB2 ALA A 174 -11.511 -1.254 0.708 1.00 0.43 H new ATOM 0 HB3 ALA A 174 -12.525 -2.716 0.752 1.00 0.43 H new ATOM 1383 N ASP A 175 -12.007 -4.850 2.491 1.00 0.24 N ATOM 1384 CA ASP A 175 -12.629 -5.961 3.277 1.00 0.23 C ATOM 1385 C ASP A 175 -11.623 -6.600 4.250 1.00 0.17 C ATOM 1386 O ASP A 175 -11.967 -6.926 5.371 1.00 0.20 O ATOM 1387 CB ASP A 175 -13.082 -6.981 2.228 1.00 0.27 C ATOM 1388 CG ASP A 175 -14.268 -6.430 1.424 1.00 0.37 C ATOM 1389 OD1 ASP A 175 -14.956 -5.554 1.927 1.00 0.99 O ATOM 1390 OD2 ASP A 175 -14.474 -6.905 0.319 1.00 0.80 O ATOM 0 H ASP A 175 -11.954 -5.013 1.485 1.00 0.24 H new ATOM 0 HA ASP A 175 -13.453 -5.600 3.892 1.00 0.23 H new ATOM 0 HB2 ASP A 175 -12.255 -7.213 1.556 1.00 0.27 H new ATOM 0 HB3 ASP A 175 -13.367 -7.913 2.717 1.00 0.27 H new ATOM 1395 N LEU A 176 -10.395 -6.811 3.826 1.00 0.14 N ATOM 1396 CA LEU A 176 -9.393 -7.465 4.738 1.00 0.20 C ATOM 1397 C LEU A 176 -9.166 -6.615 5.986 1.00 0.25 C ATOM 1398 O LEU A 176 -9.241 -7.103 7.095 1.00 0.27 O ATOM 1399 CB LEU A 176 -8.082 -7.565 3.938 1.00 0.28 C ATOM 1400 CG LEU A 176 -8.089 -8.734 2.919 1.00 0.49 C ATOM 1401 CD1 LEU A 176 -9.448 -8.889 2.221 1.00 1.33 C ATOM 1402 CD2 LEU A 176 -7.016 -8.459 1.860 1.00 1.09 C ATOM 0 H LEU A 176 -10.046 -6.563 2.900 1.00 0.14 H new ATOM 0 HA LEU A 176 -9.746 -8.443 5.064 1.00 0.20 H new ATOM 0 HB2 LEU A 176 -7.912 -6.628 3.408 1.00 0.28 H new ATOM 0 HB3 LEU A 176 -7.249 -7.696 4.629 1.00 0.28 H new ATOM 0 HG LEU A 176 -7.889 -9.658 3.461 1.00 0.49 H new ATOM 0 HD11 LEU A 176 -9.403 -9.720 1.517 1.00 1.33 H new ATOM 0 HD12 LEU A 176 -10.219 -9.086 2.966 1.00 1.33 H new ATOM 0 HD13 LEU A 176 -9.688 -7.971 1.684 1.00 1.33 H new ATOM 0 HD21 LEU A 176 -7.005 -9.271 1.133 1.00 1.09 H new ATOM 0 HD22 LEU A 176 -7.238 -7.521 1.352 1.00 1.09 H new ATOM 0 HD23 LEU A 176 -6.040 -8.389 2.340 1.00 1.09 H new ATOM 1414 N VAL A 177 -8.881 -5.349 5.812 1.00 0.33 N ATOM 1415 CA VAL A 177 -8.646 -4.465 6.995 1.00 0.41 C ATOM 1416 C VAL A 177 -9.917 -4.407 7.845 1.00 0.37 C ATOM 1417 O VAL A 177 -9.864 -4.474 9.058 1.00 0.39 O ATOM 1418 CB VAL A 177 -8.292 -3.084 6.428 1.00 0.52 C ATOM 1419 CG1 VAL A 177 -6.995 -3.183 5.629 1.00 0.58 C ATOM 1420 CG2 VAL A 177 -9.408 -2.584 5.507 1.00 0.52 C ATOM 0 H VAL A 177 -8.801 -4.890 4.905 1.00 0.33 H new ATOM 0 HA VAL A 177 -7.844 -4.832 7.636 1.00 0.41 H new ATOM 0 HB VAL A 177 -8.171 -2.385 7.255 1.00 0.52 H new ATOM 0 HG11 VAL A 177 -6.741 -2.203 5.225 1.00 0.58 H new ATOM 0 HG12 VAL A 177 -6.191 -3.526 6.281 1.00 0.58 H new ATOM 0 HG13 VAL A 177 -7.125 -3.891 4.810 1.00 0.58 H new ATOM 0 HG21 VAL A 177 -9.142 -1.603 5.113 1.00 0.52 H new ATOM 0 HG22 VAL A 177 -9.539 -3.284 4.682 1.00 0.52 H new ATOM 0 HG23 VAL A 177 -10.338 -2.509 6.070 1.00 0.52 H new ATOM 1430 N GLU A 178 -11.061 -4.317 7.210 1.00 0.36 N ATOM 1431 CA GLU A 178 -12.348 -4.296 7.975 1.00 0.39 C ATOM 1432 C GLU A 178 -12.501 -5.609 8.754 1.00 0.31 C ATOM 1433 O GLU A 178 -12.703 -5.620 9.954 1.00 0.34 O ATOM 1434 CB GLU A 178 -13.432 -4.164 6.896 1.00 0.45 C ATOM 1435 CG GLU A 178 -14.824 -4.356 7.505 1.00 0.51 C ATOM 1436 CD GLU A 178 -15.102 -3.253 8.529 1.00 1.32 C ATOM 1437 OE1 GLU A 178 -14.578 -2.163 8.359 1.00 1.85 O ATOM 1438 OE2 GLU A 178 -15.834 -3.517 9.468 1.00 1.85 O ATOM 0 H GLU A 178 -11.159 -4.257 6.196 1.00 0.36 H new ATOM 0 HA GLU A 178 -12.403 -3.487 8.704 1.00 0.39 H new ATOM 0 HB2 GLU A 178 -13.367 -3.183 6.426 1.00 0.45 H new ATOM 0 HB3 GLU A 178 -13.266 -4.904 6.113 1.00 0.45 H new ATOM 0 HG2 GLU A 178 -15.580 -4.334 6.720 1.00 0.51 H new ATOM 0 HG3 GLU A 178 -14.889 -5.333 7.983 1.00 0.51 H new ATOM 1445 N GLU A 179 -12.390 -6.712 8.064 1.00 0.25 N ATOM 1446 CA GLU A 179 -12.514 -8.043 8.729 1.00 0.24 C ATOM 1447 C GLU A 179 -11.357 -8.255 9.707 1.00 0.25 C ATOM 1448 O GLU A 179 -11.497 -8.926 10.712 1.00 0.39 O ATOM 1449 CB GLU A 179 -12.473 -9.062 7.587 1.00 0.31 C ATOM 1450 CG GLU A 179 -13.784 -8.990 6.795 1.00 1.03 C ATOM 1451 CD GLU A 179 -13.772 -10.004 5.640 1.00 1.32 C ATOM 1452 OE1 GLU A 179 -12.724 -10.576 5.375 1.00 1.76 O ATOM 1453 OE2 GLU A 179 -14.816 -10.189 5.038 1.00 1.92 O ATOM 0 H GLU A 179 -12.217 -6.749 7.059 1.00 0.25 H new ATOM 0 HA GLU A 179 -13.430 -8.135 9.313 1.00 0.24 H new ATOM 0 HB2 GLU A 179 -11.627 -8.856 6.931 1.00 0.31 H new ATOM 0 HB3 GLU A 179 -12.330 -10.066 7.986 1.00 0.31 H new ATOM 0 HG2 GLU A 179 -14.627 -9.193 7.456 1.00 1.03 H new ATOM 0 HG3 GLU A 179 -13.923 -7.983 6.401 1.00 1.03 H new ATOM 1460 N ALA A 180 -10.215 -7.693 9.413 1.00 0.26 N ATOM 1461 CA ALA A 180 -9.036 -7.855 10.319 1.00 0.38 C ATOM 1462 C ALA A 180 -9.270 -7.127 11.649 1.00 0.44 C ATOM 1463 O ALA A 180 -8.716 -7.496 12.667 1.00 0.60 O ATOM 1464 CB ALA A 180 -7.862 -7.224 9.569 1.00 0.50 C ATOM 0 H ALA A 180 -10.045 -7.126 8.582 1.00 0.26 H new ATOM 0 HA ALA A 180 -8.854 -8.902 10.560 1.00 0.38 H new ATOM 0 HB1 ALA A 180 -6.958 -7.305 10.173 1.00 0.50 H new ATOM 0 HB2 ALA A 180 -7.713 -7.744 8.623 1.00 0.50 H new ATOM 0 HB3 ALA A 180 -8.076 -6.173 9.376 1.00 0.50 H new ATOM 1470 N GLN A 181 -10.082 -6.093 11.648 1.00 0.48 N ATOM 1471 CA GLN A 181 -10.338 -5.341 12.918 1.00 0.70 C ATOM 1472 C GLN A 181 -11.366 -6.075 13.783 1.00 0.71 C ATOM 1473 O GLN A 181 -11.035 -6.620 14.818 1.00 1.08 O ATOM 1474 CB GLN A 181 -10.890 -3.980 12.478 1.00 1.25 C ATOM 1475 CG GLN A 181 -9.770 -2.933 12.494 1.00 1.59 C ATOM 1476 CD GLN A 181 -9.249 -2.711 11.073 1.00 2.23 C ATOM 1477 OE1 GLN A 181 -9.834 -1.969 10.308 1.00 2.65 O ATOM 1478 NE2 GLN A 181 -8.169 -3.329 10.684 1.00 2.46 N ATOM 0 H GLN A 181 -10.575 -5.740 10.828 1.00 0.48 H new ATOM 0 HA GLN A 181 -9.433 -5.242 13.517 1.00 0.70 H new ATOM 0 HB2 GLN A 181 -11.314 -4.056 11.477 1.00 1.25 H new ATOM 0 HB3 GLN A 181 -11.697 -3.673 13.143 1.00 1.25 H new ATOM 0 HG2 GLN A 181 -10.142 -1.995 12.905 1.00 1.59 H new ATOM 0 HG3 GLN A 181 -8.958 -3.265 13.141 1.00 1.59 H new ATOM 0 HE21 GLN A 181 -7.678 -3.951 11.326 1.00 2.46 H new ATOM 0 HE22 GLN A 181 -7.815 -3.190 9.738 1.00 2.46 H new ATOM 1487 N GLU A 182 -12.608 -6.103 13.363 1.00 0.74 N ATOM 1488 CA GLU A 182 -13.670 -6.813 14.154 1.00 1.33 C ATOM 1489 C GLU A 182 -13.643 -6.402 15.634 1.00 2.14 C ATOM 1490 O GLU A 182 -13.716 -7.236 16.516 1.00 2.63 O ATOM 1491 CB GLU A 182 -13.349 -8.300 14.003 1.00 1.79 C ATOM 1492 CG GLU A 182 -13.768 -8.766 12.606 1.00 2.06 C ATOM 1493 CD GLU A 182 -13.453 -10.258 12.427 1.00 2.67 C ATOM 1494 OE1 GLU A 182 -12.668 -10.785 13.202 1.00 2.49 O ATOM 1495 OE2 GLU A 182 -14.009 -10.851 11.517 1.00 3.67 O ATOM 0 H GLU A 182 -12.936 -5.664 12.503 1.00 0.74 H new ATOM 0 HA GLU A 182 -14.668 -6.565 13.793 1.00 1.33 H new ATOM 0 HB2 GLU A 182 -12.283 -8.471 14.152 1.00 1.79 H new ATOM 0 HB3 GLU A 182 -13.874 -8.877 14.765 1.00 1.79 H new ATOM 0 HG2 GLU A 182 -14.834 -8.592 12.462 1.00 2.06 H new ATOM 0 HG3 GLU A 182 -13.245 -8.183 11.848 1.00 2.06 H new ATOM 1502 N SER A 183 -13.538 -5.123 15.912 1.00 2.57 N ATOM 1503 CA SER A 183 -13.506 -4.648 17.338 1.00 3.70 C ATOM 1504 C SER A 183 -12.421 -5.386 18.135 1.00 4.04 C ATOM 1505 O SER A 183 -11.393 -5.694 17.555 1.00 4.36 O ATOM 1506 CB SER A 183 -14.893 -4.962 17.904 1.00 4.22 C ATOM 1507 OG SER A 183 -15.819 -3.983 17.451 1.00 4.75 O ATOM 1508 OXT SER A 183 -12.638 -5.627 19.312 1.00 4.26 O ATOM 0 H SER A 183 -13.473 -4.384 15.212 1.00 2.57 H new ATOM 0 HA SER A 183 -13.272 -3.585 17.401 1.00 3.70 H new ATOM 0 HB2 SER A 183 -15.212 -5.955 17.586 1.00 4.22 H new ATOM 0 HB3 SER A 183 -14.860 -4.971 18.993 1.00 4.22 H new ATOM 0 HG SER A 183 -16.708 -4.183 17.811 1.00 4.75 H new TER 1514 SER A 183