USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 597 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 NoAdj-H: A 123 HIS HE2 : A 123 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 166 HIS HE2 : A 166 HIS NE2 : A 202 ZNZN :(H bumps) USER MOD Set 1.1: A 142 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 143 LYS NZ :NH3+ 154:sc= -0.342 (180deg=-2.11!) USER MOD Set 2.1: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 132 MET CE :methyl -118:sc= -0.149 (180deg=-1.01) USER MOD Single : A 100 LYS NZ :NH3+ 164:sc= 0.505 (180deg=0.272) USER MOD Single : A 101 THR OG1 : rot 180:sc=0.000615 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -24:sc= 0.0862 USER MOD Single : A 111 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.11) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.191 K(o=-0.19,f=-3.6!) USER MOD Single : A 126 HIS : no HD1:sc= 0.155 K(o=0.15,f=-2.8!) USER MOD Single : A 133 ASN :FLIP amide:sc= -0.971 F(o=-1.9!,f=-0.97) USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-8!) USER MOD Single : A 141 LYS NZ :NH3+ 149:sc= -1.92 (180deg=-2.98!) USER MOD Single : A 144 THR OG1 : rot -92:sc= 0.606 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 152 MET CE :methyl -170:sc= -0.215 (180deg=-0.439) USER MOD Single : A 153 THR OG1 : rot -56:sc= 1.29 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 167 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0535) USER MOD Single : A 172 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 96 -3.429 12.717 17.357 1.00 52.10 N ATOM 2 CA SER A 96 -3.280 12.027 16.058 1.00 3.13 C ATOM 3 C SER A 96 -1.866 11.429 15.942 1.00 53.14 C ATOM 4 O SER A 96 -0.874 12.127 16.190 1.00 54.23 O ATOM 5 CB SER A 96 -3.547 13.017 14.897 1.00 70.24 C ATOM 6 OG SER A 96 -3.466 12.379 13.629 1.00 21.23 O ATOM 0 HA SER A 96 -4.008 11.218 15.997 1.00 3.13 H new ATOM 0 HB2 SER A 96 -4.535 13.461 15.018 1.00 70.24 H new ATOM 0 HB3 SER A 96 -2.824 13.832 14.941 1.00 70.24 H new ATOM 0 HG SER A 96 -3.642 13.034 12.921 1.00 21.23 H new ATOM 14 N ASP A 97 -1.793 10.136 15.574 1.00 72.31 N ATOM 15 CA ASP A 97 -0.528 9.406 15.342 1.00 42.55 C ATOM 16 C ASP A 97 -0.084 9.583 13.876 1.00 55.12 C ATOM 17 O ASP A 97 -0.905 9.946 13.017 1.00 71.05 O ATOM 18 CB ASP A 97 -0.721 7.896 15.687 1.00 2.44 C ATOM 19 CG ASP A 97 0.548 7.042 15.478 1.00 51.42 C ATOM 20 OD1 ASP A 97 0.586 6.210 14.543 1.00 14.13 O ATOM 21 OD2 ASP A 97 1.530 7.232 16.228 1.00 50.51 O ATOM 0 H ASP A 97 -2.621 9.559 15.427 1.00 72.31 H new ATOM 0 HA ASP A 97 0.251 9.811 15.988 1.00 42.55 H new ATOM 0 HB2 ASP A 97 -1.040 7.808 16.726 1.00 2.44 H new ATOM 0 HB3 ASP A 97 -1.525 7.492 15.072 1.00 2.44 H new ATOM 26 N ALA A 98 1.214 9.340 13.603 1.00 74.31 N ATOM 27 CA ALA A 98 1.794 9.443 12.254 1.00 74.04 C ATOM 28 C ALA A 98 1.240 8.343 11.319 1.00 21.52 C ATOM 29 O ALA A 98 1.806 7.245 11.206 1.00 4.14 O ATOM 30 CB ALA A 98 3.331 9.397 12.321 1.00 51.11 C ATOM 0 H ALA A 98 1.889 9.066 14.316 1.00 74.31 H new ATOM 0 HA ALA A 98 1.502 10.405 11.833 1.00 74.04 H new ATOM 0 HB1 ALA A 98 3.742 9.474 11.314 1.00 51.11 H new ATOM 0 HB2 ALA A 98 3.694 10.228 12.926 1.00 51.11 H new ATOM 0 HB3 ALA A 98 3.648 8.456 12.771 1.00 51.11 H new ATOM 36 N PHE A 99 0.096 8.648 10.693 1.00 45.24 N ATOM 37 CA PHE A 99 -0.543 7.804 9.675 1.00 63.04 C ATOM 38 C PHE A 99 -0.577 8.557 8.345 1.00 30.32 C ATOM 39 O PHE A 99 -0.845 9.767 8.310 1.00 31.11 O ATOM 40 CB PHE A 99 -1.985 7.394 10.106 1.00 1.30 C ATOM 41 CG PHE A 99 -2.041 6.166 11.016 1.00 74.23 C ATOM 42 CD1 PHE A 99 -1.955 4.884 10.467 1.00 14.13 C ATOM 43 CD2 PHE A 99 -2.187 6.279 12.398 1.00 54.50 C ATOM 44 CE1 PHE A 99 -2.014 3.761 11.266 1.00 71.21 C ATOM 45 CE2 PHE A 99 -2.245 5.150 13.200 1.00 35.31 C ATOM 46 CZ PHE A 99 -2.159 3.892 12.633 1.00 71.11 C ATOM 0 H PHE A 99 -0.422 9.506 10.884 1.00 45.24 H new ATOM 0 HA PHE A 99 0.039 6.889 9.562 1.00 63.04 H new ATOM 0 HB2 PHE A 99 -2.452 8.235 10.619 1.00 1.30 H new ATOM 0 HB3 PHE A 99 -2.577 7.198 9.212 1.00 1.30 H new ATOM 0 HD1 PHE A 99 -1.840 4.770 9.399 1.00 14.13 H new ATOM 0 HD2 PHE A 99 -2.256 7.258 12.849 1.00 54.50 H new ATOM 0 HE1 PHE A 99 -1.947 2.779 10.822 1.00 71.21 H new ATOM 0 HE2 PHE A 99 -2.358 5.253 14.269 1.00 35.31 H new ATOM 0 HZ PHE A 99 -2.205 3.013 13.258 1.00 71.11 H new ATOM 56 N LYS A 100 -0.276 7.809 7.265 1.00 64.00 N ATOM 57 CA LYS A 100 -0.353 8.264 5.862 1.00 1.23 C ATOM 58 C LYS A 100 0.619 9.442 5.583 1.00 21.32 C ATOM 59 O LYS A 100 0.452 10.181 4.611 1.00 54.40 O ATOM 60 CB LYS A 100 -1.822 8.633 5.492 1.00 14.31 C ATOM 61 CG LYS A 100 -2.902 7.606 5.909 1.00 43.54 C ATOM 62 CD LYS A 100 -2.732 6.224 5.249 1.00 32.42 C ATOM 63 CE LYS A 100 -3.783 5.214 5.734 1.00 31.53 C ATOM 64 NZ LYS A 100 -5.174 5.685 5.488 1.00 34.03 N ATOM 0 H LYS A 100 0.037 6.842 7.347 1.00 64.00 H new ATOM 0 HA LYS A 100 -0.036 7.440 5.223 1.00 1.23 H new ATOM 0 HB2 LYS A 100 -2.062 9.591 5.952 1.00 14.31 H new ATOM 0 HB3 LYS A 100 -1.880 8.774 4.413 1.00 14.31 H new ATOM 0 HG2 LYS A 100 -2.878 7.487 6.992 1.00 43.54 H new ATOM 0 HG3 LYS A 100 -3.885 8.002 5.654 1.00 43.54 H new ATOM 0 HD2 LYS A 100 -2.805 6.329 4.167 1.00 32.42 H new ATOM 0 HD3 LYS A 100 -1.735 5.840 5.466 1.00 32.42 H new ATOM 0 HE2 LYS A 100 -3.629 4.261 5.227 1.00 31.53 H new ATOM 0 HE3 LYS A 100 -3.646 5.034 6.800 1.00 31.53 H new ATOM 0 HZ1 LYS A 100 -5.832 4.884 5.573 1.00 34.03 H new ATOM 0 HZ2 LYS A 100 -5.423 6.413 6.187 1.00 34.03 H new ATOM 0 HZ3 LYS A 100 -5.240 6.087 4.531 1.00 34.03 H new ATOM 78 N THR A 101 1.660 9.567 6.431 1.00 42.03 N ATOM 79 CA THR A 101 2.626 10.683 6.391 1.00 35.44 C ATOM 80 C THR A 101 3.685 10.515 5.273 1.00 71.00 C ATOM 81 O THR A 101 4.466 11.439 5.016 1.00 41.12 O ATOM 82 CB THR A 101 3.320 10.852 7.791 1.00 24.22 C ATOM 83 OG1 THR A 101 3.873 9.601 8.236 1.00 1.30 O ATOM 84 CG2 THR A 101 2.339 11.365 8.862 1.00 1.44 C ATOM 0 H THR A 101 1.855 8.890 7.169 1.00 42.03 H new ATOM 0 HA THR A 101 2.064 11.587 6.157 1.00 35.44 H new ATOM 0 HB THR A 101 4.113 11.588 7.661 1.00 24.22 H new ATOM 0 HG1 THR A 101 4.303 9.725 9.108 1.00 1.30 H new ATOM 0 HG21 THR A 101 2.860 11.467 9.814 1.00 1.44 H new ATOM 0 HG22 THR A 101 1.944 12.334 8.559 1.00 1.44 H new ATOM 0 HG23 THR A 101 1.518 10.657 8.972 1.00 1.44 H new ATOM 92 N ALA A 102 3.699 9.339 4.619 1.00 42.04 N ATOM 93 CA ALA A 102 4.584 9.051 3.467 1.00 55.13 C ATOM 94 C ALA A 102 3.874 8.114 2.475 1.00 21.53 C ATOM 95 O ALA A 102 2.858 7.508 2.819 1.00 25.03 O ATOM 96 CB ALA A 102 5.912 8.442 3.937 1.00 40.02 C ATOM 0 H ALA A 102 3.096 8.557 4.873 1.00 42.04 H new ATOM 0 HA ALA A 102 4.808 9.989 2.959 1.00 55.13 H new ATOM 0 HB1 ALA A 102 6.545 8.239 3.073 1.00 40.02 H new ATOM 0 HB2 ALA A 102 6.418 9.142 4.602 1.00 40.02 H new ATOM 0 HB3 ALA A 102 5.717 7.512 4.470 1.00 40.02 H new ATOM 102 N LEU A 103 4.421 8.009 1.245 1.00 71.42 N ATOM 103 CA LEU A 103 3.869 7.134 0.184 1.00 15.51 C ATOM 104 C LEU A 103 4.074 5.644 0.519 1.00 73.33 C ATOM 105 O LEU A 103 5.044 5.273 1.192 1.00 43.33 O ATOM 106 CB LEU A 103 4.522 7.459 -1.189 1.00 65.35 C ATOM 107 CG LEU A 103 4.236 8.882 -1.765 1.00 71.40 C ATOM 108 CD1 LEU A 103 4.995 9.117 -3.091 1.00 60.42 C ATOM 109 CD2 LEU A 103 2.718 9.123 -1.941 1.00 4.34 C ATOM 0 H LEU A 103 5.253 8.525 0.959 1.00 71.42 H new ATOM 0 HA LEU A 103 2.798 7.328 0.126 1.00 15.51 H new ATOM 0 HB2 LEU A 103 5.601 7.338 -1.093 1.00 65.35 H new ATOM 0 HB3 LEU A 103 4.182 6.720 -1.915 1.00 65.35 H new ATOM 0 HG LEU A 103 4.605 9.608 -1.040 1.00 71.40 H new ATOM 0 HD11 LEU A 103 4.774 10.117 -3.465 1.00 60.42 H new ATOM 0 HD12 LEU A 103 6.067 9.023 -2.918 1.00 60.42 H new ATOM 0 HD13 LEU A 103 4.680 8.377 -3.827 1.00 60.42 H new ATOM 0 HD21 LEU A 103 2.553 10.122 -2.344 1.00 4.34 H new ATOM 0 HD22 LEU A 103 2.309 8.383 -2.629 1.00 4.34 H new ATOM 0 HD23 LEU A 103 2.221 9.034 -0.975 1.00 4.34 H new ATOM 121 N CYS A 104 3.142 4.806 0.038 1.00 43.43 N ATOM 122 CA CYS A 104 3.189 3.346 0.214 1.00 21.00 C ATOM 123 C CYS A 104 3.974 2.697 -0.936 1.00 63.32 C ATOM 124 O CYS A 104 3.598 2.840 -2.109 1.00 21.41 O ATOM 125 CB CYS A 104 1.747 2.802 0.284 1.00 72.31 C ATOM 126 SG CYS A 104 1.581 1.016 0.608 1.00 1.04 S ATOM 0 H CYS A 104 2.328 5.125 -0.488 1.00 43.43 H new ATOM 0 HA CYS A 104 3.703 3.101 1.143 1.00 21.00 H new ATOM 0 HB2 CYS A 104 1.213 3.344 1.065 1.00 72.31 H new ATOM 0 HB3 CYS A 104 1.249 3.028 -0.659 1.00 72.31 H new ATOM 131 N ASP A 105 5.065 1.991 -0.584 1.00 2.02 N ATOM 132 CA ASP A 105 5.939 1.301 -1.552 1.00 74.22 C ATOM 133 C ASP A 105 5.183 0.146 -2.232 1.00 0.21 C ATOM 134 O ASP A 105 5.341 -0.094 -3.427 1.00 3.10 O ATOM 135 CB ASP A 105 7.222 0.777 -0.852 1.00 62.04 C ATOM 136 CG ASP A 105 8.227 0.129 -1.831 1.00 40.04 C ATOM 137 OD1 ASP A 105 8.935 0.875 -2.544 1.00 40.44 O ATOM 138 OD2 ASP A 105 8.311 -1.119 -1.897 1.00 24.35 O ATOM 0 H ASP A 105 5.366 1.883 0.384 1.00 2.02 H new ATOM 0 HA ASP A 105 6.236 2.016 -2.319 1.00 74.22 H new ATOM 0 HB2 ASP A 105 7.710 1.603 -0.335 1.00 62.04 H new ATOM 0 HB3 ASP A 105 6.942 0.047 -0.093 1.00 62.04 H new ATOM 143 N ALA A 106 4.337 -0.533 -1.451 1.00 23.45 N ATOM 144 CA ALA A 106 3.491 -1.643 -1.935 1.00 72.43 C ATOM 145 C ALA A 106 2.383 -1.152 -2.893 1.00 35.50 C ATOM 146 O ALA A 106 1.856 -1.928 -3.688 1.00 75.13 O ATOM 147 CB ALA A 106 2.894 -2.382 -0.735 1.00 60.21 C ATOM 0 H ALA A 106 4.215 -0.331 -0.459 1.00 23.45 H new ATOM 0 HA ALA A 106 4.115 -2.328 -2.509 1.00 72.43 H new ATOM 0 HB1 ALA A 106 2.269 -3.202 -1.087 1.00 60.21 H new ATOM 0 HB2 ALA A 106 3.698 -2.779 -0.115 1.00 60.21 H new ATOM 0 HB3 ALA A 106 2.289 -1.692 -0.147 1.00 60.21 H new ATOM 153 N TYR A 107 2.037 0.142 -2.802 1.00 51.25 N ATOM 154 CA TYR A 107 1.026 0.765 -3.673 1.00 32.24 C ATOM 155 C TYR A 107 1.658 1.276 -4.985 1.00 33.44 C ATOM 156 O TYR A 107 1.020 1.240 -6.040 1.00 24.31 O ATOM 157 CB TYR A 107 0.309 1.913 -2.922 1.00 42.14 C ATOM 158 CG TYR A 107 -0.740 2.666 -3.757 1.00 63.23 C ATOM 159 CD1 TYR A 107 -1.971 2.081 -4.074 1.00 65.22 C ATOM 160 CD2 TYR A 107 -0.494 3.960 -4.236 1.00 44.55 C ATOM 161 CE1 TYR A 107 -2.907 2.755 -4.835 1.00 61.31 C ATOM 162 CE2 TYR A 107 -1.429 4.631 -4.993 1.00 22.20 C ATOM 163 CZ TYR A 107 -2.632 4.027 -5.290 1.00 32.24 C ATOM 164 OH TYR A 107 -3.561 4.701 -6.051 1.00 1.40 O ATOM 0 H TYR A 107 2.448 0.785 -2.125 1.00 51.25 H new ATOM 0 HA TYR A 107 0.288 0.007 -3.937 1.00 32.24 H new ATOM 0 HB2 TYR A 107 -0.177 1.503 -2.036 1.00 42.14 H new ATOM 0 HB3 TYR A 107 1.057 2.625 -2.574 1.00 42.14 H new ATOM 0 HD1 TYR A 107 -2.193 1.086 -3.718 1.00 65.22 H new ATOM 0 HD2 TYR A 107 0.446 4.440 -4.007 1.00 44.55 H new ATOM 0 HE1 TYR A 107 -3.851 2.287 -5.073 1.00 61.31 H new ATOM 0 HE2 TYR A 107 -1.220 5.628 -5.353 1.00 22.20 H new ATOM 0 HH TYR A 107 -3.210 5.585 -6.289 1.00 1.40 H new ATOM 174 N LYS A 108 2.896 1.789 -4.912 1.00 44.45 N ATOM 175 CA LYS A 108 3.570 2.392 -6.086 1.00 1.11 C ATOM 176 C LYS A 108 4.310 1.330 -6.939 1.00 61.42 C ATOM 177 O LYS A 108 4.327 1.421 -8.170 1.00 21.31 O ATOM 178 CB LYS A 108 4.507 3.546 -5.629 1.00 52.41 C ATOM 179 CG LYS A 108 5.727 3.132 -4.773 1.00 71.43 C ATOM 180 CD LYS A 108 6.445 4.340 -4.114 1.00 34.03 C ATOM 181 CE LYS A 108 6.926 5.390 -5.131 1.00 31.25 C ATOM 182 NZ LYS A 108 7.912 4.836 -6.095 1.00 14.43 N ATOM 0 H LYS A 108 3.454 1.801 -4.058 1.00 44.45 H new ATOM 0 HA LYS A 108 2.808 2.818 -6.739 1.00 1.11 H new ATOM 0 HB2 LYS A 108 4.870 4.065 -6.516 1.00 52.41 H new ATOM 0 HB3 LYS A 108 3.916 4.263 -5.060 1.00 52.41 H new ATOM 0 HG2 LYS A 108 5.400 2.442 -3.995 1.00 71.43 H new ATOM 0 HG3 LYS A 108 6.437 2.592 -5.400 1.00 71.43 H new ATOM 0 HD2 LYS A 108 5.767 4.815 -3.405 1.00 34.03 H new ATOM 0 HD3 LYS A 108 7.300 3.978 -3.543 1.00 34.03 H new ATOM 0 HE2 LYS A 108 6.068 5.782 -5.678 1.00 31.25 H new ATOM 0 HE3 LYS A 108 7.375 6.229 -4.598 1.00 31.25 H new ATOM 0 HZ1 LYS A 108 8.205 5.581 -6.759 1.00 14.43 H new ATOM 0 HZ2 LYS A 108 8.744 4.486 -5.578 1.00 14.43 H new ATOM 0 HZ3 LYS A 108 7.478 4.053 -6.624 1.00 14.43 H new ATOM 196 N ARG A 109 4.927 0.338 -6.271 1.00 15.32 N ATOM 197 CA ARG A 109 5.718 -0.731 -6.932 1.00 30.01 C ATOM 198 C ARG A 109 4.863 -1.974 -7.234 1.00 31.24 C ATOM 199 O ARG A 109 4.862 -2.477 -8.362 1.00 41.22 O ATOM 200 CB ARG A 109 6.938 -1.116 -6.048 1.00 2.33 C ATOM 201 CG ARG A 109 8.001 -0.002 -5.899 1.00 35.21 C ATOM 202 CD ARG A 109 8.680 0.353 -7.238 1.00 61.02 C ATOM 203 NE ARG A 109 9.359 -0.812 -7.842 1.00 70.32 N ATOM 204 CZ ARG A 109 9.663 -0.952 -9.143 1.00 71.32 C ATOM 205 NH1 ARG A 109 9.350 -0.012 -10.028 1.00 32.34 N ATOM 206 NH2 ARG A 109 10.266 -2.054 -9.551 1.00 35.03 N ATOM 0 H ARG A 109 4.894 0.250 -5.255 1.00 15.32 H new ATOM 0 HA ARG A 109 6.072 -0.339 -7.886 1.00 30.01 H new ATOM 0 HB2 ARG A 109 6.579 -1.393 -5.057 1.00 2.33 H new ATOM 0 HB3 ARG A 109 7.414 -2.000 -6.473 1.00 2.33 H new ATOM 0 HG2 ARG A 109 7.531 0.891 -5.486 1.00 35.21 H new ATOM 0 HG3 ARG A 109 8.760 -0.322 -5.185 1.00 35.21 H new ATOM 0 HD2 ARG A 109 7.933 0.737 -7.932 1.00 61.02 H new ATOM 0 HD3 ARG A 109 9.405 1.151 -7.076 1.00 61.02 H new ATOM 0 HE ARG A 109 9.619 -1.575 -7.218 1.00 70.32 H new ATOM 0 HH11 ARG A 109 8.870 0.835 -9.724 1.00 32.34 H new ATOM 0 HH12 ARG A 109 9.590 -0.137 -11.011 1.00 32.34 H new ATOM 0 HH21 ARG A 109 10.496 -2.788 -8.881 1.00 35.03 H new ATOM 0 HH22 ARG A 109 10.502 -2.171 -10.536 1.00 35.03 H new ATOM 220 N SER A 110 4.141 -2.462 -6.213 1.00 35.31 N ATOM 221 CA SER A 110 3.343 -3.707 -6.310 1.00 22.22 C ATOM 222 C SER A 110 1.880 -3.417 -6.722 1.00 3.34 C ATOM 223 O SER A 110 1.146 -4.345 -7.087 1.00 13.53 O ATOM 224 CB SER A 110 3.401 -4.454 -4.954 1.00 43.14 C ATOM 225 OG SER A 110 2.686 -5.680 -4.987 1.00 64.20 O ATOM 0 H SER A 110 4.090 -2.012 -5.299 1.00 35.31 H new ATOM 0 HA SER A 110 3.770 -4.337 -7.090 1.00 22.22 H new ATOM 0 HB2 SER A 110 4.441 -4.649 -4.692 1.00 43.14 H new ATOM 0 HB3 SER A 110 2.990 -3.816 -4.172 1.00 43.14 H new ATOM 0 HG SER A 110 1.999 -5.640 -5.685 1.00 64.20 H new ATOM 231 N GLN A 111 1.490 -2.120 -6.660 1.00 60.52 N ATOM 232 CA GLN A 111 0.118 -1.618 -6.911 1.00 21.24 C ATOM 233 C GLN A 111 -0.857 -2.046 -5.788 1.00 12.32 C ATOM 234 O GLN A 111 -1.340 -1.198 -5.023 1.00 55.03 O ATOM 235 CB GLN A 111 -0.419 -1.981 -8.330 1.00 12.05 C ATOM 236 CG GLN A 111 -1.775 -1.323 -8.698 1.00 34.42 C ATOM 237 CD GLN A 111 -1.743 0.213 -8.653 1.00 13.20 C ATOM 238 OE1 GLN A 111 -1.430 0.870 -9.648 1.00 70.23 O ATOM 239 NE2 GLN A 111 -2.075 0.796 -7.506 1.00 51.22 N ATOM 0 H GLN A 111 2.143 -1.372 -6.427 1.00 60.52 H new ATOM 0 HA GLN A 111 0.180 -0.530 -6.892 1.00 21.24 H new ATOM 0 HB2 GLN A 111 0.325 -1.688 -9.071 1.00 12.05 H new ATOM 0 HB3 GLN A 111 -0.526 -3.064 -8.397 1.00 12.05 H new ATOM 0 HG2 GLN A 111 -2.066 -1.643 -9.699 1.00 34.42 H new ATOM 0 HG3 GLN A 111 -2.542 -1.683 -8.013 1.00 34.42 H new ATOM 0 HE21 GLN A 111 -2.330 0.226 -6.699 1.00 51.22 H new ATOM 0 HE22 GLN A 111 -2.075 1.813 -7.432 1.00 51.22 H new ATOM 248 N ALA A 112 -1.137 -3.355 -5.697 1.00 4.55 N ATOM 249 CA ALA A 112 -1.974 -3.924 -4.636 1.00 60.34 C ATOM 250 C ALA A 112 -1.175 -4.003 -3.317 1.00 65.43 C ATOM 251 O ALA A 112 -0.246 -4.810 -3.191 1.00 44.52 O ATOM 252 CB ALA A 112 -2.494 -5.308 -5.063 1.00 71.31 C ATOM 0 H ALA A 112 -0.788 -4.048 -6.359 1.00 4.55 H new ATOM 0 HA ALA A 112 -2.836 -3.278 -4.467 1.00 60.34 H new ATOM 0 HB1 ALA A 112 -3.115 -5.724 -4.270 1.00 71.31 H new ATOM 0 HB2 ALA A 112 -3.086 -5.209 -5.973 1.00 71.31 H new ATOM 0 HB3 ALA A 112 -1.650 -5.972 -5.249 1.00 71.31 H new ATOM 258 N CYS A 113 -1.506 -3.106 -2.374 1.00 23.35 N ATOM 259 CA CYS A 113 -0.940 -3.098 -1.016 1.00 73.43 C ATOM 260 C CYS A 113 -1.653 -4.159 -0.152 1.00 61.21 C ATOM 261 O CYS A 113 -2.886 -4.144 -0.047 1.00 43.15 O ATOM 262 CB CYS A 113 -1.105 -1.683 -0.416 1.00 20.20 C ATOM 263 SG CYS A 113 -0.566 -1.484 1.320 1.00 2.42 S ATOM 0 H CYS A 113 -2.181 -2.358 -2.535 1.00 23.35 H new ATOM 0 HA CYS A 113 0.121 -3.345 -1.044 1.00 73.43 H new ATOM 0 HB2 CYS A 113 -0.545 -0.980 -1.033 1.00 20.20 H new ATOM 0 HB3 CYS A 113 -2.156 -1.400 -0.485 1.00 20.20 H new ATOM 268 N SER A 114 -0.864 -5.065 0.464 1.00 24.13 N ATOM 269 CA SER A 114 -1.379 -6.239 1.201 1.00 32.12 C ATOM 270 C SER A 114 -2.130 -5.834 2.489 1.00 44.05 C ATOM 271 O SER A 114 -3.083 -6.507 2.892 1.00 71.53 O ATOM 272 CB SER A 114 -0.215 -7.208 1.522 1.00 52.24 C ATOM 273 OG SER A 114 0.801 -6.566 2.277 1.00 52.13 O ATOM 0 H SER A 114 0.154 -5.002 0.464 1.00 24.13 H new ATOM 0 HA SER A 114 -2.102 -6.746 0.562 1.00 32.12 H new ATOM 0 HB2 SER A 114 -0.596 -8.065 2.077 1.00 52.24 H new ATOM 0 HB3 SER A 114 0.207 -7.592 0.593 1.00 52.24 H new ATOM 0 HG SER A 114 1.521 -7.204 2.465 1.00 52.13 H new ATOM 279 N TYR A 115 -1.690 -4.732 3.127 1.00 22.30 N ATOM 280 CA TYR A 115 -2.356 -4.185 4.328 1.00 1.21 C ATOM 281 C TYR A 115 -3.697 -3.504 3.960 1.00 23.25 C ATOM 282 O TYR A 115 -4.700 -3.664 4.672 1.00 14.31 O ATOM 283 CB TYR A 115 -1.424 -3.188 5.059 1.00 74.12 C ATOM 284 CG TYR A 115 -0.188 -3.823 5.717 1.00 23.43 C ATOM 285 CD1 TYR A 115 1.072 -3.775 5.112 1.00 24.10 C ATOM 286 CD2 TYR A 115 -0.287 -4.473 6.948 1.00 23.51 C ATOM 287 CE1 TYR A 115 2.179 -4.348 5.711 1.00 72.32 C ATOM 288 CE2 TYR A 115 0.817 -5.046 7.549 1.00 75.32 C ATOM 289 CZ TYR A 115 2.046 -4.982 6.927 1.00 75.22 C ATOM 290 OH TYR A 115 3.148 -5.551 7.530 1.00 1.23 O ATOM 0 H TYR A 115 -0.872 -4.200 2.830 1.00 22.30 H new ATOM 0 HA TYR A 115 -2.573 -5.015 5.000 1.00 1.21 H new ATOM 0 HB2 TYR A 115 -1.091 -2.434 4.346 1.00 74.12 H new ATOM 0 HB3 TYR A 115 -2.000 -2.669 5.825 1.00 74.12 H new ATOM 0 HD1 TYR A 115 1.183 -3.281 4.158 1.00 24.10 H new ATOM 0 HD2 TYR A 115 -1.246 -4.529 7.441 1.00 23.51 H new ATOM 0 HE1 TYR A 115 3.144 -4.299 5.228 1.00 72.32 H new ATOM 0 HE2 TYR A 115 0.718 -5.543 8.503 1.00 75.32 H new ATOM 0 HH TYR A 115 2.882 -5.956 8.382 1.00 1.23 H new ATOM 300 N GLY A 116 -3.691 -2.754 2.839 1.00 41.32 N ATOM 301 CA GLY A 116 -4.879 -2.045 2.349 1.00 13.12 C ATOM 302 C GLY A 116 -5.323 -0.925 3.290 1.00 55.35 C ATOM 303 O GLY A 116 -4.648 0.100 3.397 1.00 61.53 O ATOM 0 H GLY A 116 -2.865 -2.627 2.255 1.00 41.32 H new ATOM 0 HA2 GLY A 116 -4.668 -1.626 1.365 1.00 13.12 H new ATOM 0 HA3 GLY A 116 -5.696 -2.755 2.224 1.00 13.12 H new ATOM 307 N ASP A 117 -6.446 -1.144 4.002 1.00 75.22 N ATOM 308 CA ASP A 117 -6.991 -0.174 4.987 1.00 34.44 C ATOM 309 C ASP A 117 -6.150 -0.146 6.280 1.00 73.40 C ATOM 310 O ASP A 117 -6.221 0.814 7.053 1.00 51.13 O ATOM 311 CB ASP A 117 -8.470 -0.508 5.326 1.00 72.55 C ATOM 312 CG ASP A 117 -9.422 -0.308 4.134 1.00 51.41 C ATOM 313 OD1 ASP A 117 -9.937 0.819 3.948 1.00 11.24 O ATOM 314 OD2 ASP A 117 -9.651 -1.271 3.365 1.00 61.04 O ATOM 0 H ASP A 117 -7.003 -1.994 3.915 1.00 75.22 H new ATOM 0 HA ASP A 117 -6.944 0.814 4.529 1.00 34.44 H new ATOM 0 HB2 ASP A 117 -8.534 -1.542 5.665 1.00 72.55 H new ATOM 0 HB3 ASP A 117 -8.798 0.120 6.154 1.00 72.55 H new ATOM 319 N GLN A 118 -5.369 -1.218 6.503 1.00 14.23 N ATOM 320 CA GLN A 118 -4.475 -1.350 7.675 1.00 23.03 C ATOM 321 C GLN A 118 -3.075 -0.759 7.395 1.00 22.25 C ATOM 322 O GLN A 118 -2.198 -0.805 8.266 1.00 70.25 O ATOM 323 CB GLN A 118 -4.357 -2.849 8.073 1.00 30.25 C ATOM 324 CG GLN A 118 -5.696 -3.550 8.413 1.00 31.42 C ATOM 325 CD GLN A 118 -6.356 -3.096 9.727 1.00 44.51 C ATOM 326 OE1 GLN A 118 -6.222 -1.953 10.168 1.00 41.13 O ATOM 327 NE2 GLN A 118 -7.082 -4.002 10.367 1.00 52.11 N ATOM 0 H GLN A 118 -5.338 -2.021 5.875 1.00 14.23 H new ATOM 0 HA GLN A 118 -4.909 -0.784 8.499 1.00 23.03 H new ATOM 0 HB2 GLN A 118 -3.881 -3.389 7.255 1.00 30.25 H new ATOM 0 HB3 GLN A 118 -3.695 -2.928 8.935 1.00 30.25 H new ATOM 0 HG2 GLN A 118 -6.396 -3.379 7.595 1.00 31.42 H new ATOM 0 HG3 GLN A 118 -5.523 -4.625 8.464 1.00 31.42 H new ATOM 0 HE21 GLN A 118 -7.179 -4.942 9.983 1.00 52.11 H new ATOM 0 HE22 GLN A 118 -7.544 -3.759 11.243 1.00 52.11 H new ATOM 336 N CYS A 119 -2.875 -0.213 6.177 1.00 70.35 N ATOM 337 CA CYS A 119 -1.584 0.360 5.752 1.00 33.24 C ATOM 338 C CYS A 119 -1.317 1.682 6.489 1.00 25.11 C ATOM 339 O CYS A 119 -2.196 2.548 6.551 1.00 32.11 O ATOM 340 CB CYS A 119 -1.586 0.578 4.225 1.00 63.24 C ATOM 341 SG CYS A 119 0.008 1.099 3.508 1.00 63.21 S ATOM 0 H CYS A 119 -3.602 -0.158 5.464 1.00 70.35 H new ATOM 0 HA CYS A 119 -0.785 -0.337 6.005 1.00 33.24 H new ATOM 0 HB2 CYS A 119 -1.896 -0.349 3.743 1.00 63.24 H new ATOM 0 HB3 CYS A 119 -2.337 1.330 3.983 1.00 63.24 H new ATOM 346 N ARG A 120 -0.110 1.818 7.067 1.00 55.11 N ATOM 347 CA ARG A 120 0.309 3.044 7.783 1.00 21.41 C ATOM 348 C ARG A 120 0.794 4.133 6.796 1.00 24.44 C ATOM 349 O ARG A 120 1.075 5.257 7.209 1.00 20.31 O ATOM 350 CB ARG A 120 1.425 2.717 8.817 1.00 31.42 C ATOM 351 CG ARG A 120 2.760 2.253 8.191 1.00 54.15 C ATOM 352 CD ARG A 120 3.858 1.983 9.234 1.00 75.40 C ATOM 353 NE ARG A 120 3.534 0.848 10.118 1.00 73.24 N ATOM 354 CZ ARG A 120 4.362 0.310 11.032 1.00 63.44 C ATOM 355 NH1 ARG A 120 5.594 0.785 11.211 1.00 45.24 N ATOM 356 NH2 ARG A 120 3.949 -0.719 11.752 1.00 3.44 N ATOM 0 H ARG A 120 0.602 1.087 7.053 1.00 55.11 H new ATOM 0 HA ARG A 120 -0.560 3.433 8.314 1.00 21.41 H new ATOM 0 HB2 ARG A 120 1.611 3.603 9.425 1.00 31.42 H new ATOM 0 HB3 ARG A 120 1.063 1.939 9.490 1.00 31.42 H new ATOM 0 HG2 ARG A 120 2.586 1.345 7.613 1.00 54.15 H new ATOM 0 HG3 ARG A 120 3.110 3.014 7.493 1.00 54.15 H new ATOM 0 HD2 ARG A 120 4.799 1.783 8.722 1.00 75.40 H new ATOM 0 HD3 ARG A 120 4.008 2.878 9.838 1.00 75.40 H new ATOM 0 HE ARG A 120 2.605 0.437 10.029 1.00 73.24 H new ATOM 0 HH11 ARG A 120 5.924 1.570 10.650 1.00 45.24 H new ATOM 0 HH12 ARG A 120 6.207 0.363 11.909 1.00 45.24 H new ATOM 0 HH21 ARG A 120 3.012 -1.096 11.611 1.00 3.44 H new ATOM 0 HH22 ARG A 120 4.568 -1.136 12.448 1.00 3.44 H new ATOM 370 N PHE A 121 0.907 3.778 5.499 1.00 44.00 N ATOM 371 CA PHE A 121 1.343 4.698 4.425 1.00 35.40 C ATOM 372 C PHE A 121 0.163 5.031 3.483 1.00 54.42 C ATOM 373 O PHE A 121 -0.779 4.240 3.343 1.00 21.55 O ATOM 374 CB PHE A 121 2.506 4.074 3.619 1.00 23.05 C ATOM 375 CG PHE A 121 3.790 3.823 4.409 1.00 23.03 C ATOM 376 CD1 PHE A 121 4.157 2.534 4.802 1.00 23.33 C ATOM 377 CD2 PHE A 121 4.638 4.879 4.743 1.00 51.31 C ATOM 378 CE1 PHE A 121 5.329 2.314 5.501 1.00 1.40 C ATOM 379 CE2 PHE A 121 5.808 4.657 5.446 1.00 22.35 C ATOM 380 CZ PHE A 121 6.153 3.375 5.823 1.00 72.32 C ATOM 0 H PHE A 121 0.697 2.838 5.164 1.00 44.00 H new ATOM 0 HA PHE A 121 1.692 5.622 4.887 1.00 35.40 H new ATOM 0 HB2 PHE A 121 2.167 3.127 3.198 1.00 23.05 H new ATOM 0 HB3 PHE A 121 2.738 4.731 2.780 1.00 23.05 H new ATOM 0 HD1 PHE A 121 3.517 1.699 4.557 1.00 23.33 H new ATOM 0 HD2 PHE A 121 4.377 5.885 4.448 1.00 51.31 H new ATOM 0 HE1 PHE A 121 5.601 1.311 5.796 1.00 1.40 H new ATOM 0 HE2 PHE A 121 6.451 5.486 5.700 1.00 22.35 H new ATOM 0 HZ PHE A 121 7.068 3.201 6.370 1.00 72.32 H new ATOM 390 N ALA A 122 0.257 6.205 2.834 1.00 45.45 N ATOM 391 CA ALA A 122 -0.798 6.779 1.973 1.00 55.33 C ATOM 392 C ALA A 122 -0.905 6.061 0.614 1.00 25.30 C ATOM 393 O ALA A 122 0.117 5.737 -0.008 1.00 73.12 O ATOM 394 CB ALA A 122 -0.511 8.275 1.761 1.00 62.22 C ATOM 0 H ALA A 122 1.086 6.796 2.893 1.00 45.45 H new ATOM 0 HA ALA A 122 -1.755 6.643 2.477 1.00 55.33 H new ATOM 0 HB1 ALA A 122 -1.285 8.708 1.126 1.00 62.22 H new ATOM 0 HB2 ALA A 122 -0.505 8.784 2.725 1.00 62.22 H new ATOM 0 HB3 ALA A 122 0.460 8.395 1.281 1.00 62.22 H new ATOM 400 N HIS A 123 -2.156 5.833 0.160 1.00 64.45 N ATOM 401 CA HIS A 123 -2.456 5.255 -1.175 1.00 41.23 C ATOM 402 C HIS A 123 -3.055 6.342 -2.097 1.00 25.22 C ATOM 403 O HIS A 123 -3.824 6.042 -3.023 1.00 72.34 O ATOM 404 CB HIS A 123 -3.449 4.060 -1.032 1.00 34.14 C ATOM 405 CG HIS A 123 -2.940 2.883 -0.242 1.00 60.43 C ATOM 406 ND1 HIS A 123 -3.732 1.833 0.153 1.00 23.52 N ATOM 407 CD2 HIS A 123 -1.695 2.595 0.219 1.00 52.14 C ATOM 408 CE1 HIS A 123 -2.974 0.971 0.825 1.00 74.10 C ATOM 409 NE2 HIS A 123 -1.716 1.384 0.898 1.00 1.45 N ATOM 0 H HIS A 123 -2.991 6.044 0.707 1.00 64.45 H new ATOM 0 HA HIS A 123 -1.531 4.888 -1.619 1.00 41.23 H new ATOM 0 HB2 HIS A 123 -4.362 4.424 -0.561 1.00 34.14 H new ATOM 0 HB3 HIS A 123 -3.721 3.715 -2.030 1.00 34.14 H new ATOM 0 HD1 HIS A 123 -4.729 1.732 -0.036 1.00 23.52 H new ATOM 0 HD2 HIS A 123 -0.821 3.214 0.079 1.00 52.14 H new ATOM 0 HE1 HIS A 123 -3.337 0.050 1.257 1.00 74.10 H new ATOM 417 N GLY A 124 -2.667 7.599 -1.855 1.00 75.34 N ATOM 418 CA GLY A 124 -3.127 8.725 -2.656 1.00 64.10 C ATOM 419 C GLY A 124 -2.562 10.040 -2.156 1.00 33.24 C ATOM 420 O GLY A 124 -2.236 10.160 -0.970 1.00 34.11 O ATOM 0 H GLY A 124 -2.029 7.857 -1.102 1.00 75.34 H new ATOM 0 HA2 GLY A 124 -2.834 8.575 -3.695 1.00 64.10 H new ATOM 0 HA3 GLY A 124 -4.216 8.766 -2.634 1.00 64.10 H new ATOM 424 N VAL A 125 -2.468 11.032 -3.067 1.00 70.14 N ATOM 425 CA VAL A 125 -1.892 12.367 -2.783 1.00 42.42 C ATOM 426 C VAL A 125 -2.714 13.125 -1.713 1.00 2.04 C ATOM 427 O VAL A 125 -2.157 13.863 -0.891 1.00 33.02 O ATOM 428 CB VAL A 125 -1.766 13.221 -4.110 1.00 42.32 C ATOM 429 CG1 VAL A 125 -3.145 13.492 -4.768 1.00 24.30 C ATOM 430 CG2 VAL A 125 -0.998 14.547 -3.871 1.00 23.22 C ATOM 0 H VAL A 125 -2.792 10.929 -4.029 1.00 70.14 H new ATOM 0 HA VAL A 125 -0.891 12.214 -2.380 1.00 42.42 H new ATOM 0 HB VAL A 125 -1.185 12.619 -4.808 1.00 42.32 H new ATOM 0 HG11 VAL A 125 -3.006 14.081 -5.675 1.00 24.30 H new ATOM 0 HG12 VAL A 125 -3.620 12.544 -5.020 1.00 24.30 H new ATOM 0 HG13 VAL A 125 -3.779 14.042 -4.072 1.00 24.30 H new ATOM 0 HG21 VAL A 125 -0.933 15.104 -4.806 1.00 23.22 H new ATOM 0 HG22 VAL A 125 -1.527 15.145 -3.129 1.00 23.22 H new ATOM 0 HG23 VAL A 125 0.006 14.326 -3.510 1.00 23.22 H new ATOM 440 N HIS A 126 -4.034 12.883 -1.714 1.00 13.31 N ATOM 441 CA HIS A 126 -4.987 13.484 -0.763 1.00 1.11 C ATOM 442 C HIS A 126 -4.765 12.959 0.672 1.00 30.02 C ATOM 443 O HIS A 126 -5.116 13.633 1.649 1.00 51.03 O ATOM 444 CB HIS A 126 -6.437 13.195 -1.234 1.00 44.32 C ATOM 445 CG HIS A 126 -6.782 11.721 -1.341 1.00 55.44 C ATOM 446 ND1 HIS A 126 -6.192 10.912 -2.289 1.00 55.00 N ATOM 447 CD2 HIS A 126 -7.655 10.973 -0.613 1.00 44.02 C ATOM 448 CE1 HIS A 126 -6.715 9.710 -2.120 1.00 1.04 C ATOM 449 NE2 HIS A 126 -7.603 9.698 -1.118 1.00 52.45 N ATOM 0 H HIS A 126 -4.478 12.255 -2.385 1.00 13.31 H new ATOM 0 HA HIS A 126 -4.821 14.561 -0.741 1.00 1.11 H new ATOM 0 HB2 HIS A 126 -7.132 13.668 -0.540 1.00 44.32 H new ATOM 0 HB3 HIS A 126 -6.590 13.662 -2.207 1.00 44.32 H new ATOM 0 HD2 HIS A 126 -8.271 11.317 0.205 1.00 44.02 H new ATOM 0 HE1 HIS A 126 -6.458 8.846 -2.715 1.00 1.04 H new ATOM 0 HE2 HIS A 126 -8.139 8.894 -0.792 1.00 52.45 H new ATOM 457 N GLU A 127 -4.173 11.752 0.780 1.00 44.13 N ATOM 458 CA GLU A 127 -3.942 11.086 2.070 1.00 61.04 C ATOM 459 C GLU A 127 -2.622 11.508 2.742 1.00 61.25 C ATOM 460 O GLU A 127 -2.397 11.110 3.872 1.00 35.23 O ATOM 461 CB GLU A 127 -3.967 9.542 1.918 1.00 71.42 C ATOM 462 CG GLU A 127 -5.321 8.947 1.498 1.00 51.41 C ATOM 463 CD GLU A 127 -5.355 7.418 1.630 1.00 73.02 C ATOM 464 OE1 GLU A 127 -5.096 6.710 0.636 1.00 1.12 O ATOM 465 OE2 GLU A 127 -5.625 6.917 2.748 1.00 43.33 O ATOM 0 H GLU A 127 -3.844 11.217 -0.024 1.00 44.13 H new ATOM 0 HA GLU A 127 -4.760 11.407 2.715 1.00 61.04 H new ATOM 0 HB2 GLU A 127 -3.217 9.253 1.181 1.00 71.42 H new ATOM 0 HB3 GLU A 127 -3.670 9.095 2.867 1.00 71.42 H new ATOM 0 HG2 GLU A 127 -6.111 9.380 2.112 1.00 51.41 H new ATOM 0 HG3 GLU A 127 -5.532 9.225 0.465 1.00 51.41 H new ATOM 472 N LEU A 128 -1.749 12.287 2.071 1.00 65.12 N ATOM 473 CA LEU A 128 -0.453 12.692 2.679 1.00 31.44 C ATOM 474 C LEU A 128 -0.670 13.646 3.871 1.00 61.21 C ATOM 475 O LEU A 128 -1.102 14.793 3.698 1.00 71.25 O ATOM 476 CB LEU A 128 0.523 13.319 1.621 1.00 40.40 C ATOM 477 CG LEU A 128 1.413 12.320 0.809 1.00 12.14 C ATOM 478 CD1 LEU A 128 2.308 11.476 1.743 1.00 54.22 C ATOM 479 CD2 LEU A 128 0.568 11.424 -0.110 1.00 3.31 C ATOM 0 H LEU A 128 -1.907 12.644 1.129 1.00 65.12 H new ATOM 0 HA LEU A 128 0.021 11.786 3.055 1.00 31.44 H new ATOM 0 HB2 LEU A 128 -0.069 13.900 0.914 1.00 40.40 H new ATOM 0 HB3 LEU A 128 1.180 14.019 2.137 1.00 40.40 H new ATOM 0 HG LEU A 128 2.067 12.916 0.172 1.00 12.14 H new ATOM 0 HD11 LEU A 128 2.913 10.793 1.147 1.00 54.22 H new ATOM 0 HD12 LEU A 128 2.961 12.135 2.314 1.00 54.22 H new ATOM 0 HD13 LEU A 128 1.682 10.904 2.427 1.00 54.22 H new ATOM 0 HD21 LEU A 128 1.222 10.744 -0.657 1.00 3.31 H new ATOM 0 HD22 LEU A 128 -0.135 10.847 0.491 1.00 3.31 H new ATOM 0 HD23 LEU A 128 0.017 12.045 -0.817 1.00 3.31 H new ATOM 491 N ARG A 129 -0.383 13.125 5.080 1.00 14.24 N ATOM 492 CA ARG A 129 -0.296 13.909 6.321 1.00 3.33 C ATOM 493 C ARG A 129 1.174 14.277 6.585 1.00 22.11 C ATOM 494 O ARG A 129 2.077 13.935 5.810 1.00 51.43 O ATOM 495 CB ARG A 129 -0.875 13.133 7.557 1.00 12.10 C ATOM 496 CG ARG A 129 -2.422 13.063 7.668 1.00 30.54 C ATOM 497 CD ARG A 129 -3.078 12.104 6.670 1.00 14.42 C ATOM 498 NE ARG A 129 -4.521 11.923 6.924 1.00 61.12 N ATOM 499 CZ ARG A 129 -5.330 11.071 6.259 1.00 25.30 C ATOM 500 NH1 ARG A 129 -4.865 10.307 5.278 1.00 2.21 N ATOM 501 NH2 ARG A 129 -6.611 10.983 6.585 1.00 31.02 N ATOM 0 H ARG A 129 -0.203 12.131 5.221 1.00 14.24 H new ATOM 0 HA ARG A 129 -0.898 14.808 6.190 1.00 3.33 H new ATOM 0 HB2 ARG A 129 -0.488 12.114 7.532 1.00 12.10 H new ATOM 0 HB3 ARG A 129 -0.489 13.598 8.464 1.00 12.10 H new ATOM 0 HG2 ARG A 129 -2.689 12.757 8.679 1.00 30.54 H new ATOM 0 HG3 ARG A 129 -2.832 14.062 7.519 1.00 30.54 H new ATOM 0 HD2 ARG A 129 -2.935 12.484 5.658 1.00 14.42 H new ATOM 0 HD3 ARG A 129 -2.579 11.136 6.720 1.00 14.42 H new ATOM 0 HE ARG A 129 -4.941 12.488 7.662 1.00 61.12 H new ATOM 0 HH11 ARG A 129 -3.881 10.358 5.015 1.00 2.21 H new ATOM 0 HH12 ARG A 129 -5.492 9.669 4.787 1.00 2.21 H new ATOM 0 HH21 ARG A 129 -6.986 11.559 7.339 1.00 31.02 H new ATOM 0 HH22 ARG A 129 -7.222 10.339 6.082 1.00 31.02 H new ATOM 515 N LEU A 130 1.385 14.979 7.695 1.00 34.44 N ATOM 516 CA LEU A 130 2.716 15.367 8.184 1.00 14.45 C ATOM 517 C LEU A 130 2.852 14.994 9.679 1.00 2.31 C ATOM 518 O LEU A 130 1.827 14.859 10.361 1.00 55.13 O ATOM 519 CB LEU A 130 2.927 16.892 7.915 1.00 73.02 C ATOM 520 CG LEU A 130 1.816 17.880 8.443 1.00 51.41 C ATOM 521 CD1 LEU A 130 1.994 18.236 9.935 1.00 2.01 C ATOM 522 CD2 LEU A 130 1.738 19.160 7.576 1.00 23.23 C ATOM 0 H LEU A 130 0.626 15.303 8.295 1.00 34.44 H new ATOM 0 HA LEU A 130 3.500 14.826 7.654 1.00 14.45 H new ATOM 0 HB2 LEU A 130 3.878 17.185 8.360 1.00 73.02 H new ATOM 0 HB3 LEU A 130 3.022 17.035 6.839 1.00 73.02 H new ATOM 0 HG LEU A 130 0.868 17.349 8.355 1.00 51.41 H new ATOM 0 HD11 LEU A 130 1.202 18.918 10.243 1.00 2.01 H new ATOM 0 HD12 LEU A 130 1.944 17.327 10.534 1.00 2.01 H new ATOM 0 HD13 LEU A 130 2.962 18.714 10.082 1.00 2.01 H new ATOM 0 HD21 LEU A 130 0.963 19.818 7.968 1.00 23.23 H new ATOM 0 HD22 LEU A 130 2.698 19.675 7.601 1.00 23.23 H new ATOM 0 HD23 LEU A 130 1.498 18.889 6.548 1.00 23.23 H new ATOM 534 N PRO A 131 4.108 14.759 10.197 1.00 41.45 N ATOM 535 CA PRO A 131 4.358 14.583 11.652 1.00 20.32 C ATOM 536 C PRO A 131 3.822 15.766 12.500 1.00 60.04 C ATOM 537 O PRO A 131 4.186 16.928 12.266 1.00 45.33 O ATOM 538 CB PRO A 131 5.903 14.477 11.742 1.00 32.32 C ATOM 539 CG PRO A 131 6.315 13.940 10.406 1.00 5.21 C ATOM 540 CD PRO A 131 5.364 14.577 9.411 1.00 22.44 C ATOM 0 HA PRO A 131 3.841 13.711 12.053 1.00 20.32 H new ATOM 0 HB2 PRO A 131 6.358 15.448 11.938 1.00 32.32 H new ATOM 0 HB3 PRO A 131 6.210 13.813 12.550 1.00 32.32 H new ATOM 0 HG2 PRO A 131 7.350 14.196 10.181 1.00 5.21 H new ATOM 0 HG3 PRO A 131 6.243 12.853 10.379 1.00 5.21 H new ATOM 0 HD2 PRO A 131 5.748 15.528 9.041 1.00 22.44 H new ATOM 0 HD3 PRO A 131 5.205 13.938 8.542 1.00 22.44 H new ATOM 548 N MET A 132 2.942 15.438 13.462 1.00 24.22 N ATOM 549 CA MET A 132 2.290 16.411 14.356 1.00 54.31 C ATOM 550 C MET A 132 3.313 17.019 15.337 1.00 12.01 C ATOM 551 O MET A 132 3.710 16.373 16.315 1.00 62.23 O ATOM 552 CB MET A 132 1.109 15.729 15.127 1.00 71.44 C ATOM 553 CG MET A 132 -0.198 15.584 14.322 1.00 20.34 C ATOM 554 SD MET A 132 -0.001 14.764 12.719 1.00 54.02 S ATOM 555 CE MET A 132 0.513 13.108 13.166 1.00 73.53 C ATOM 0 H MET A 132 2.659 14.475 13.643 1.00 24.22 H new ATOM 0 HA MET A 132 1.883 17.222 13.753 1.00 54.31 H new ATOM 0 HB2 MET A 132 1.430 14.739 15.451 1.00 71.44 H new ATOM 0 HB3 MET A 132 0.901 16.307 16.027 1.00 71.44 H new ATOM 0 HG2 MET A 132 -0.917 15.022 14.918 1.00 20.34 H new ATOM 0 HG3 MET A 132 -0.623 16.575 14.160 1.00 20.34 H new ATOM 0 HE1 MET A 132 1.507 12.914 12.763 1.00 73.53 H new ATOM 0 HE2 MET A 132 0.538 13.015 14.252 1.00 73.53 H new ATOM 0 HE3 MET A 132 -0.192 12.385 12.756 1.00 73.53 H new ATOM 565 N ASN A 133 3.766 18.246 15.030 1.00 70.41 N ATOM 566 CA ASN A 133 4.683 19.013 15.890 1.00 25.10 C ATOM 567 C ASN A 133 3.912 19.567 17.116 1.00 4.22 C ATOM 568 O ASN A 133 2.902 20.264 16.929 1.00 2.43 O ATOM 569 CB ASN A 133 5.323 20.172 15.075 1.00 71.20 C ATOM 570 CG ASN A 133 6.312 21.040 15.865 1.00 60.51 C ATOM 571 OD1 ASN A 133 6.387 22.308 15.514 1.00 21.14 O flip ATOM 572 ND2 ASN A 133 7.004 20.577 16.773 1.00 55.55 N flip ATOM 0 H ASN A 133 3.505 18.736 14.174 1.00 70.41 H new ATOM 0 HA ASN A 133 5.479 18.359 16.247 1.00 25.10 H new ATOM 0 HB2 ASN A 133 5.839 19.750 14.213 1.00 71.20 H new ATOM 0 HB3 ASN A 133 4.528 20.810 14.690 1.00 71.20 H new ATOM 0 HD21 ASN A 133 6.924 19.591 17.023 1.00 55.55 H new ATOM 0 HD22 ASN A 133 7.656 21.179 17.275 1.00 55.55 H new ATOM 579 N PRO A 134 4.353 19.244 18.385 1.00 5.10 N ATOM 580 CA PRO A 134 3.724 19.779 19.630 1.00 41.12 C ATOM 581 C PRO A 134 3.794 21.322 19.724 1.00 1.13 C ATOM 582 O PRO A 134 4.588 21.966 19.017 1.00 23.21 O ATOM 583 CB PRO A 134 4.547 19.109 20.774 1.00 0.24 C ATOM 584 CG PRO A 134 5.176 17.907 20.137 1.00 54.02 C ATOM 585 CD PRO A 134 5.474 18.317 18.713 1.00 42.12 C ATOM 0 HA PRO A 134 2.658 19.554 19.672 1.00 41.12 H new ATOM 0 HB2 PRO A 134 5.302 19.789 21.169 1.00 0.24 H new ATOM 0 HB3 PRO A 134 3.906 18.825 21.609 1.00 0.24 H new ATOM 0 HG2 PRO A 134 6.087 17.616 20.661 1.00 54.02 H new ATOM 0 HG3 PRO A 134 4.504 17.050 20.166 1.00 54.02 H new ATOM 0 HD2 PRO A 134 6.442 18.811 18.630 1.00 42.12 H new ATOM 0 HD3 PRO A 134 5.496 17.458 18.043 1.00 42.12 H new ATOM 593 N ARG A 135 2.963 21.901 20.609 1.00 71.13 N ATOM 594 CA ARG A 135 2.899 23.355 20.819 1.00 51.51 C ATOM 595 C ARG A 135 4.124 23.823 21.638 1.00 21.05 C ATOM 596 O ARG A 135 4.192 23.623 22.859 1.00 3.04 O ATOM 597 CB ARG A 135 1.557 23.747 21.502 1.00 74.42 C ATOM 598 CG ARG A 135 1.310 25.272 21.719 1.00 45.33 C ATOM 599 CD ARG A 135 1.391 26.117 20.419 1.00 25.52 C ATOM 600 NE ARG A 135 2.788 26.435 20.038 1.00 51.04 N ATOM 601 CZ ARG A 135 3.229 26.697 18.795 1.00 72.45 C ATOM 602 NH1 ARG A 135 2.401 26.695 17.757 1.00 21.20 N ATOM 603 NH2 ARG A 135 4.509 26.974 18.606 1.00 70.43 N ATOM 0 H ARG A 135 2.318 21.373 21.197 1.00 71.13 H new ATOM 0 HA ARG A 135 2.930 23.862 19.855 1.00 51.51 H new ATOM 0 HB2 ARG A 135 0.739 23.350 20.901 1.00 74.42 H new ATOM 0 HB3 ARG A 135 1.509 23.252 22.472 1.00 74.42 H new ATOM 0 HG2 ARG A 135 0.327 25.410 22.169 1.00 45.33 H new ATOM 0 HG3 ARG A 135 2.043 25.650 22.432 1.00 45.33 H new ATOM 0 HD2 ARG A 135 0.910 25.574 19.605 1.00 25.52 H new ATOM 0 HD3 ARG A 135 0.835 27.044 20.556 1.00 25.52 H new ATOM 0 HE ARG A 135 3.479 26.457 20.788 1.00 51.04 H new ATOM 0 HH11 ARG A 135 1.411 26.492 17.895 1.00 21.20 H new ATOM 0 HH12 ARG A 135 2.755 26.896 16.822 1.00 21.20 H new ATOM 0 HH21 ARG A 135 5.150 26.987 19.399 1.00 70.43 H new ATOM 0 HH22 ARG A 135 4.854 27.174 17.667 1.00 70.43 H new ATOM 617 N GLY A 136 5.100 24.391 20.916 1.00 52.24 N ATOM 618 CA GLY A 136 6.330 24.924 21.491 1.00 1.31 C ATOM 619 C GLY A 136 7.190 25.506 20.382 1.00 13.22 C ATOM 620 O GLY A 136 7.244 26.727 20.198 1.00 1.11 O ATOM 0 H GLY A 136 5.051 24.492 19.902 1.00 52.24 H new ATOM 0 HA2 GLY A 136 6.097 25.692 22.228 1.00 1.31 H new ATOM 0 HA3 GLY A 136 6.873 24.136 22.013 1.00 1.31 H new ATOM 624 N ARG A 137 7.822 24.609 19.609 1.00 3.01 N ATOM 625 CA ARG A 137 8.535 24.951 18.361 1.00 5.35 C ATOM 626 C ARG A 137 7.506 25.236 17.243 1.00 41.31 C ATOM 627 O ARG A 137 6.403 24.671 17.259 1.00 54.13 O ATOM 628 CB ARG A 137 9.478 23.769 17.966 1.00 20.45 C ATOM 629 CG ARG A 137 10.299 23.951 16.660 1.00 53.31 C ATOM 630 CD ARG A 137 11.246 25.167 16.693 1.00 32.31 C ATOM 631 NE ARG A 137 12.091 25.241 15.483 1.00 22.40 N ATOM 632 CZ ARG A 137 12.793 26.317 15.083 1.00 64.25 C ATOM 633 NH1 ARG A 137 12.772 27.451 15.774 1.00 23.40 N ATOM 634 NH2 ARG A 137 13.535 26.244 13.986 1.00 33.41 N ATOM 0 H ARG A 137 7.855 23.614 19.832 1.00 3.01 H new ATOM 0 HA ARG A 137 9.141 25.845 18.507 1.00 5.35 H new ATOM 0 HB2 ARG A 137 10.174 23.598 18.787 1.00 20.45 H new ATOM 0 HB3 ARG A 137 8.874 22.867 17.867 1.00 20.45 H new ATOM 0 HG2 ARG A 137 10.884 23.049 16.480 1.00 53.31 H new ATOM 0 HG3 ARG A 137 9.612 24.058 15.820 1.00 53.31 H new ATOM 0 HD2 ARG A 137 10.660 26.081 16.783 1.00 32.31 H new ATOM 0 HD3 ARG A 137 11.882 25.108 17.577 1.00 32.31 H new ATOM 0 HE ARG A 137 12.147 24.405 14.901 1.00 22.40 H new ATOM 0 HH11 ARG A 137 12.216 27.519 16.626 1.00 23.40 H new ATOM 0 HH12 ARG A 137 13.312 28.254 15.452 1.00 23.40 H new ATOM 0 HH21 ARG A 137 13.571 25.376 13.451 1.00 33.41 H new ATOM 0 HH22 ARG A 137 14.070 27.056 13.677 1.00 33.41 H new ATOM 648 N ASN A 138 7.869 26.112 16.282 1.00 51.44 N ATOM 649 CA ASN A 138 7.005 26.441 15.127 1.00 4.51 C ATOM 650 C ASN A 138 6.975 25.268 14.129 1.00 31.21 C ATOM 651 O ASN A 138 7.803 24.353 14.204 1.00 14.15 O ATOM 652 CB ASN A 138 7.490 27.745 14.420 1.00 72.24 C ATOM 653 CG ASN A 138 8.750 27.556 13.560 1.00 10.30 C ATOM 654 OD1 ASN A 138 9.875 27.623 14.055 1.00 23.51 O ATOM 655 ND2 ASN A 138 8.561 27.325 12.263 1.00 44.20 N ATOM 0 H ASN A 138 8.761 26.607 16.284 1.00 51.44 H new ATOM 0 HA ASN A 138 5.994 26.612 15.497 1.00 4.51 H new ATOM 0 HB2 ASN A 138 6.686 28.126 13.790 1.00 72.24 H new ATOM 0 HB3 ASN A 138 7.689 28.504 15.176 1.00 72.24 H new ATOM 0 HD21 ASN A 138 9.363 27.197 11.646 1.00 44.20 H new ATOM 0 HD22 ASN A 138 7.614 27.276 11.886 1.00 44.20 H new ATOM 662 N HIS A 139 6.030 25.318 13.190 1.00 53.31 N ATOM 663 CA HIS A 139 5.877 24.306 12.131 1.00 61.05 C ATOM 664 C HIS A 139 5.732 25.035 10.765 1.00 25.23 C ATOM 665 O HIS A 139 5.084 26.086 10.711 1.00 10.41 O ATOM 666 CB HIS A 139 4.651 23.405 12.461 1.00 32.13 C ATOM 667 CG HIS A 139 4.373 22.334 11.438 1.00 22.25 C ATOM 668 ND1 HIS A 139 3.679 22.616 10.288 1.00 13.52 N ATOM 669 CD2 HIS A 139 4.777 21.040 11.401 1.00 51.31 C ATOM 670 CE1 HIS A 139 3.688 21.508 9.579 1.00 15.43 C ATOM 671 NE2 HIS A 139 4.339 20.530 10.214 1.00 60.34 N ATOM 0 H HIS A 139 5.340 26.067 13.138 1.00 53.31 H new ATOM 0 HA HIS A 139 6.751 23.657 12.072 1.00 61.05 H new ATOM 0 HB2 HIS A 139 4.813 22.932 13.430 1.00 32.13 H new ATOM 0 HB3 HIS A 139 3.767 24.036 12.558 1.00 32.13 H new ATOM 0 HD2 HIS A 139 5.336 20.516 12.162 1.00 51.31 H new ATOM 0 HE1 HIS A 139 3.228 21.403 8.608 1.00 15.43 H new ATOM 0 HE2 HIS A 139 4.482 19.579 9.875 1.00 60.34 H new ATOM 679 N PRO A 140 6.353 24.503 9.648 1.00 53.45 N ATOM 680 CA PRO A 140 6.335 25.143 8.289 1.00 42.14 C ATOM 681 C PRO A 140 4.933 25.379 7.650 1.00 2.42 C ATOM 682 O PRO A 140 4.862 25.949 6.551 1.00 60.01 O ATOM 683 CB PRO A 140 7.194 24.170 7.423 1.00 41.32 C ATOM 684 CG PRO A 140 7.181 22.876 8.173 1.00 12.22 C ATOM 685 CD PRO A 140 7.194 23.270 9.626 1.00 35.25 C ATOM 0 HA PRO A 140 6.717 26.162 8.357 1.00 42.14 H new ATOM 0 HB2 PRO A 140 6.773 24.053 6.425 1.00 41.32 H new ATOM 0 HB3 PRO A 140 8.210 24.544 7.298 1.00 41.32 H new ATOM 0 HG2 PRO A 140 6.296 22.288 7.931 1.00 12.22 H new ATOM 0 HG3 PRO A 140 8.048 22.265 7.922 1.00 12.22 H new ATOM 0 HD2 PRO A 140 6.778 22.487 10.260 1.00 35.25 H new ATOM 0 HD3 PRO A 140 8.206 23.465 9.982 1.00 35.25 H new ATOM 693 N LYS A 141 3.836 24.941 8.305 1.00 22.23 N ATOM 694 CA LYS A 141 2.467 25.303 7.876 1.00 33.10 C ATOM 695 C LYS A 141 2.212 26.805 8.162 1.00 31.15 C ATOM 696 O LYS A 141 2.606 27.320 9.216 1.00 22.30 O ATOM 697 CB LYS A 141 1.397 24.409 8.575 1.00 12.11 C ATOM 698 CG LYS A 141 -0.078 24.841 8.337 1.00 32.01 C ATOM 699 CD LYS A 141 -1.130 23.985 9.106 1.00 12.23 C ATOM 700 CE LYS A 141 -1.490 22.650 8.413 1.00 54.20 C ATOM 701 NZ LYS A 141 -0.344 21.712 8.295 1.00 13.25 N ATOM 0 H LYS A 141 3.871 24.340 9.128 1.00 22.23 H new ATOM 0 HA LYS A 141 2.380 25.127 6.804 1.00 33.10 H new ATOM 0 HB2 LYS A 141 1.520 23.383 8.228 1.00 12.11 H new ATOM 0 HB3 LYS A 141 1.591 24.408 9.648 1.00 12.11 H new ATOM 0 HG2 LYS A 141 -0.191 25.884 8.632 1.00 32.01 H new ATOM 0 HG3 LYS A 141 -0.293 24.786 7.270 1.00 32.01 H new ATOM 0 HD2 LYS A 141 -0.748 23.772 10.105 1.00 12.23 H new ATOM 0 HD3 LYS A 141 -2.039 24.573 9.231 1.00 12.23 H new ATOM 0 HE2 LYS A 141 -2.290 22.164 8.972 1.00 54.20 H new ATOM 0 HE3 LYS A 141 -1.880 22.861 7.417 1.00 54.20 H new ATOM 0 HZ1 LYS A 141 -0.692 20.733 8.334 1.00 13.25 H new ATOM 0 HZ2 LYS A 141 0.143 21.871 7.390 1.00 13.25 H new ATOM 0 HZ3 LYS A 141 0.320 21.875 9.079 1.00 13.25 H new ATOM 715 N TYR A 142 1.558 27.486 7.201 1.00 71.55 N ATOM 716 CA TYR A 142 1.253 28.939 7.263 1.00 74.24 C ATOM 717 C TYR A 142 0.310 29.301 8.443 1.00 0.05 C ATOM 718 O TYR A 142 0.281 30.451 8.896 1.00 50.25 O ATOM 719 CB TYR A 142 0.629 29.402 5.915 1.00 72.15 C ATOM 720 CG TYR A 142 -0.809 28.898 5.661 1.00 44.14 C ATOM 721 CD1 TYR A 142 -1.092 27.538 5.489 1.00 14.15 C ATOM 722 CD2 TYR A 142 -1.882 29.787 5.606 1.00 51.41 C ATOM 723 CE1 TYR A 142 -2.379 27.096 5.270 1.00 33.10 C ATOM 724 CE2 TYR A 142 -3.167 29.348 5.389 1.00 62.20 C ATOM 725 CZ TYR A 142 -3.414 28.008 5.222 1.00 14.11 C ATOM 726 OH TYR A 142 -4.704 27.582 5.005 1.00 63.43 O ATOM 0 H TYR A 142 1.220 27.042 6.347 1.00 71.55 H new ATOM 0 HA TYR A 142 2.193 29.463 7.437 1.00 74.24 H new ATOM 0 HB2 TYR A 142 0.628 30.492 5.886 1.00 72.15 H new ATOM 0 HB3 TYR A 142 1.268 29.063 5.099 1.00 72.15 H new ATOM 0 HD1 TYR A 142 -0.286 26.821 5.529 1.00 14.15 H new ATOM 0 HD2 TYR A 142 -1.700 30.843 5.737 1.00 51.41 H new ATOM 0 HE1 TYR A 142 -2.576 26.043 5.137 1.00 33.10 H new ATOM 0 HE2 TYR A 142 -3.981 30.057 5.350 1.00 62.20 H new ATOM 0 HH TYR A 142 -5.307 28.354 5.002 1.00 63.43 H new ATOM 736 N LYS A 143 -0.461 28.308 8.913 1.00 44.43 N ATOM 737 CA LYS A 143 -1.406 28.459 10.030 1.00 53.24 C ATOM 738 C LYS A 143 -0.897 27.657 11.243 1.00 62.23 C ATOM 739 O LYS A 143 -1.381 26.555 11.530 1.00 23.44 O ATOM 740 CB LYS A 143 -2.827 28.003 9.572 1.00 1.32 C ATOM 741 CG LYS A 143 -3.953 28.269 10.597 1.00 45.33 C ATOM 742 CD LYS A 143 -5.383 27.931 10.085 1.00 40.01 C ATOM 743 CE LYS A 143 -5.988 29.003 9.146 1.00 41.50 C ATOM 744 NZ LYS A 143 -5.281 29.117 7.845 1.00 10.53 N ATOM 0 H LYS A 143 -0.445 27.366 8.523 1.00 44.43 H new ATOM 0 HA LYS A 143 -1.477 29.504 10.333 1.00 53.24 H new ATOM 0 HB2 LYS A 143 -3.074 28.512 8.641 1.00 1.32 H new ATOM 0 HB3 LYS A 143 -2.798 26.936 9.353 1.00 1.32 H new ATOM 0 HG2 LYS A 143 -3.755 27.685 11.496 1.00 45.33 H new ATOM 0 HG3 LYS A 143 -3.923 29.319 10.887 1.00 45.33 H new ATOM 0 HD2 LYS A 143 -5.353 26.977 9.558 1.00 40.01 H new ATOM 0 HD3 LYS A 143 -6.043 27.800 10.943 1.00 40.01 H new ATOM 0 HE2 LYS A 143 -7.035 28.764 8.962 1.00 41.50 H new ATOM 0 HE3 LYS A 143 -5.965 29.970 9.649 1.00 41.50 H new ATOM 0 HZ1 LYS A 143 -5.936 29.484 7.125 1.00 10.53 H new ATOM 0 HZ2 LYS A 143 -4.475 29.767 7.944 1.00 10.53 H new ATOM 0 HZ3 LYS A 143 -4.936 28.180 7.554 1.00 10.53 H new ATOM 758 N THR A 144 0.153 28.187 11.901 1.00 61.22 N ATOM 759 CA THR A 144 0.745 27.593 13.129 1.00 70.40 C ATOM 760 C THR A 144 1.032 28.696 14.161 1.00 40.24 C ATOM 761 O THR A 144 0.778 28.527 15.361 1.00 13.30 O ATOM 762 CB THR A 144 2.053 26.791 12.820 1.00 62.44 C ATOM 763 OG1 THR A 144 2.998 27.626 12.127 1.00 62.45 O ATOM 764 CG2 THR A 144 1.758 25.535 11.981 1.00 73.52 C ATOM 0 H THR A 144 0.620 29.042 11.599 1.00 61.22 H new ATOM 0 HA THR A 144 0.019 26.890 13.538 1.00 70.40 H new ATOM 0 HB THR A 144 2.478 26.473 13.772 1.00 62.44 H new ATOM 0 HG1 THR A 144 2.874 27.528 11.160 1.00 62.45 H new ATOM 0 HG21 THR A 144 2.688 25.002 11.785 1.00 73.52 H new ATOM 0 HG22 THR A 144 1.075 24.884 12.528 1.00 73.52 H new ATOM 0 HG23 THR A 144 1.301 25.828 11.036 1.00 73.52 H new ATOM 772 N VAL A 145 1.586 29.817 13.674 1.00 33.22 N ATOM 773 CA VAL A 145 1.782 31.040 14.470 1.00 51.02 C ATOM 774 C VAL A 145 0.434 31.788 14.561 1.00 51.20 C ATOM 775 O VAL A 145 -0.421 31.634 13.675 1.00 23.43 O ATOM 776 CB VAL A 145 2.903 31.951 13.827 1.00 40.14 C ATOM 777 CG1 VAL A 145 3.200 33.209 14.686 1.00 15.41 C ATOM 778 CG2 VAL A 145 4.199 31.130 13.576 1.00 72.45 C ATOM 0 H VAL A 145 1.913 29.902 12.711 1.00 33.22 H new ATOM 0 HA VAL A 145 2.118 30.780 15.474 1.00 51.02 H new ATOM 0 HB VAL A 145 2.523 32.304 12.868 1.00 40.14 H new ATOM 0 HG11 VAL A 145 3.976 33.804 14.204 1.00 15.41 H new ATOM 0 HG12 VAL A 145 2.293 33.806 14.783 1.00 15.41 H new ATOM 0 HG13 VAL A 145 3.540 32.902 15.675 1.00 15.41 H new ATOM 0 HG21 VAL A 145 4.958 31.775 13.133 1.00 72.45 H new ATOM 0 HG22 VAL A 145 4.567 30.733 14.522 1.00 72.45 H new ATOM 0 HG23 VAL A 145 3.982 30.306 12.897 1.00 72.45 H new ATOM 788 N LEU A 146 0.231 32.557 15.647 1.00 44.12 N ATOM 789 CA LEU A 146 -1.043 33.257 15.910 1.00 61.43 C ATOM 790 C LEU A 146 -1.191 34.524 15.041 1.00 55.23 C ATOM 791 O LEU A 146 -0.198 35.091 14.563 1.00 72.10 O ATOM 792 CB LEU A 146 -1.164 33.606 17.420 1.00 12.34 C ATOM 793 CG LEU A 146 -1.017 32.401 18.412 1.00 32.34 C ATOM 794 CD1 LEU A 146 -1.249 32.833 19.877 1.00 42.42 C ATOM 795 CD2 LEU A 146 -1.943 31.225 18.024 1.00 22.23 C ATOM 0 H LEU A 146 0.940 32.711 16.364 1.00 44.12 H new ATOM 0 HA LEU A 146 -1.855 32.583 15.638 1.00 61.43 H new ATOM 0 HB2 LEU A 146 -0.404 34.348 17.664 1.00 12.34 H new ATOM 0 HB3 LEU A 146 -2.133 34.075 17.589 1.00 12.34 H new ATOM 0 HG LEU A 146 0.012 32.050 18.333 1.00 32.34 H new ATOM 0 HD11 LEU A 146 -1.138 31.969 20.533 1.00 42.42 H new ATOM 0 HD12 LEU A 146 -0.518 33.594 20.152 1.00 42.42 H new ATOM 0 HD13 LEU A 146 -2.254 33.241 19.981 1.00 42.42 H new ATOM 0 HD21 LEU A 146 -1.812 30.409 18.735 1.00 22.23 H new ATOM 0 HD22 LEU A 146 -2.981 31.558 18.041 1.00 22.23 H new ATOM 0 HD23 LEU A 146 -1.690 30.877 17.022 1.00 22.23 H new ATOM 807 N CYS A 147 -2.451 34.950 14.854 1.00 64.41 N ATOM 808 CA CYS A 147 -2.827 36.079 13.987 1.00 13.12 C ATOM 809 C CYS A 147 -2.497 37.404 14.675 1.00 30.55 C ATOM 810 O CYS A 147 -3.027 37.688 15.748 1.00 55.44 O ATOM 811 CB CYS A 147 -4.329 35.975 13.654 1.00 11.32 C ATOM 812 SG CYS A 147 -4.994 37.223 12.494 1.00 14.44 S ATOM 0 H CYS A 147 -3.251 34.511 15.309 1.00 64.41 H new ATOM 0 HA CYS A 147 -2.259 36.043 13.057 1.00 13.12 H new ATOM 0 HB2 CYS A 147 -4.519 34.986 13.237 1.00 11.32 H new ATOM 0 HB3 CYS A 147 -4.891 36.041 14.586 1.00 11.32 H new ATOM 817 N ASP A 148 -1.607 38.187 14.041 1.00 41.11 N ATOM 818 CA ASP A 148 -1.077 39.458 14.580 1.00 32.21 C ATOM 819 C ASP A 148 -2.207 40.462 14.838 1.00 10.03 C ATOM 820 O ASP A 148 -2.292 41.058 15.912 1.00 75.54 O ATOM 821 CB ASP A 148 -0.060 40.073 13.586 1.00 11.34 C ATOM 822 CG ASP A 148 1.052 39.091 13.194 1.00 53.13 C ATOM 823 OD1 ASP A 148 2.105 39.052 13.873 1.00 15.31 O ATOM 824 OD2 ASP A 148 0.872 38.347 12.199 1.00 21.32 O ATOM 0 H ASP A 148 -1.227 37.953 13.124 1.00 41.11 H new ATOM 0 HA ASP A 148 -0.581 39.241 15.526 1.00 32.21 H new ATOM 0 HB2 ASP A 148 -0.586 40.397 12.688 1.00 11.34 H new ATOM 0 HB3 ASP A 148 0.386 40.962 14.032 1.00 11.34 H new ATOM 829 N LYS A 149 -3.081 40.609 13.830 1.00 0.23 N ATOM 830 CA LYS A 149 -4.224 41.539 13.868 1.00 30.23 C ATOM 831 C LYS A 149 -5.217 41.143 14.971 1.00 42.34 C ATOM 832 O LYS A 149 -5.673 41.988 15.738 1.00 1.41 O ATOM 833 CB LYS A 149 -4.919 41.562 12.481 1.00 0.44 C ATOM 834 CG LYS A 149 -4.017 42.069 11.331 1.00 50.33 C ATOM 835 CD LYS A 149 -3.584 43.545 11.524 1.00 5.52 C ATOM 836 CE LYS A 149 -2.639 44.040 10.416 1.00 23.02 C ATOM 837 NZ LYS A 149 -2.272 45.467 10.590 1.00 73.12 N ATOM 0 H LYS A 149 -3.015 40.083 12.959 1.00 0.23 H new ATOM 0 HA LYS A 149 -3.859 42.540 14.099 1.00 30.23 H new ATOM 0 HB2 LYS A 149 -5.263 40.556 12.242 1.00 0.44 H new ATOM 0 HB3 LYS A 149 -5.804 42.195 12.540 1.00 0.44 H new ATOM 0 HG2 LYS A 149 -3.130 41.439 11.264 1.00 50.33 H new ATOM 0 HG3 LYS A 149 -4.550 41.971 10.385 1.00 50.33 H new ATOM 0 HD2 LYS A 149 -4.471 44.178 11.548 1.00 5.52 H new ATOM 0 HD3 LYS A 149 -3.090 43.650 12.490 1.00 5.52 H new ATOM 0 HE2 LYS A 149 -1.735 43.432 10.413 1.00 23.02 H new ATOM 0 HE3 LYS A 149 -3.117 43.905 9.446 1.00 23.02 H new ATOM 0 HZ1 LYS A 149 -1.635 45.758 9.821 1.00 73.12 H new ATOM 0 HZ2 LYS A 149 -3.132 46.052 10.567 1.00 73.12 H new ATOM 0 HZ3 LYS A 149 -1.792 45.593 11.504 1.00 73.12 H new ATOM 851 N PHE A 150 -5.488 39.832 15.067 1.00 64.22 N ATOM 852 CA PHE A 150 -6.425 39.273 16.059 1.00 22.14 C ATOM 853 C PHE A 150 -5.809 39.335 17.481 1.00 50.55 C ATOM 854 O PHE A 150 -6.530 39.358 18.475 1.00 1.24 O ATOM 855 CB PHE A 150 -6.786 37.815 15.659 1.00 11.24 C ATOM 856 CG PHE A 150 -7.986 37.211 16.392 1.00 42.34 C ATOM 857 CD1 PHE A 150 -7.834 36.494 17.582 1.00 13.32 C ATOM 858 CD2 PHE A 150 -9.277 37.357 15.877 1.00 23.20 C ATOM 859 CE1 PHE A 150 -8.928 35.949 18.227 1.00 63.23 C ATOM 860 CE2 PHE A 150 -10.367 36.810 16.525 1.00 34.02 C ATOM 861 CZ PHE A 150 -10.193 36.108 17.698 1.00 32.31 C ATOM 0 H PHE A 150 -5.065 39.129 14.461 1.00 64.22 H new ATOM 0 HA PHE A 150 -7.339 39.866 16.074 1.00 22.14 H new ATOM 0 HB2 PHE A 150 -6.986 37.789 14.588 1.00 11.24 H new ATOM 0 HB3 PHE A 150 -5.917 37.182 15.837 1.00 11.24 H new ATOM 0 HD1 PHE A 150 -6.848 36.364 18.003 1.00 13.32 H new ATOM 0 HD2 PHE A 150 -9.424 37.906 14.959 1.00 23.20 H new ATOM 0 HE1 PHE A 150 -8.793 35.398 19.146 1.00 63.23 H new ATOM 0 HE2 PHE A 150 -11.357 36.933 16.112 1.00 34.02 H new ATOM 0 HZ PHE A 150 -11.047 35.682 18.204 1.00 32.31 H new ATOM 871 N SER A 151 -4.467 39.374 17.554 1.00 15.24 N ATOM 872 CA SER A 151 -3.724 39.439 18.825 1.00 44.21 C ATOM 873 C SER A 151 -3.683 40.885 19.374 1.00 1.01 C ATOM 874 O SER A 151 -3.715 41.090 20.596 1.00 14.10 O ATOM 875 CB SER A 151 -2.294 38.880 18.630 1.00 35.41 C ATOM 876 OG SER A 151 -1.570 38.823 19.851 1.00 55.31 O ATOM 0 H SER A 151 -3.865 39.361 16.731 1.00 15.24 H new ATOM 0 HA SER A 151 -4.242 38.824 19.561 1.00 44.21 H new ATOM 0 HB2 SER A 151 -2.352 37.881 18.197 1.00 35.41 H new ATOM 0 HB3 SER A 151 -1.755 39.506 17.919 1.00 35.41 H new ATOM 0 HG SER A 151 -0.674 38.463 19.683 1.00 55.31 H new ATOM 882 N MET A 152 -3.616 41.880 18.463 1.00 3.51 N ATOM 883 CA MET A 152 -3.492 43.311 18.833 1.00 41.44 C ATOM 884 C MET A 152 -4.872 43.949 19.094 1.00 12.44 C ATOM 885 O MET A 152 -5.097 44.544 20.156 1.00 55.24 O ATOM 886 CB MET A 152 -2.738 44.103 17.723 1.00 24.31 C ATOM 887 CG MET A 152 -1.268 43.692 17.522 1.00 25.21 C ATOM 888 SD MET A 152 -0.433 44.648 16.229 1.00 43.32 S ATOM 889 CE MET A 152 -1.396 44.237 14.772 1.00 50.22 C ATOM 0 H MET A 152 -3.646 41.718 17.456 1.00 3.51 H new ATOM 0 HA MET A 152 -2.916 43.361 19.757 1.00 41.44 H new ATOM 0 HB2 MET A 152 -3.269 43.974 16.780 1.00 24.31 H new ATOM 0 HB3 MET A 152 -2.774 45.165 17.966 1.00 24.31 H new ATOM 0 HG2 MET A 152 -0.730 43.817 18.462 1.00 25.21 H new ATOM 0 HG3 MET A 152 -1.225 42.633 17.268 1.00 25.21 H new ATOM 0 HE1 MET A 152 -0.889 44.612 13.883 1.00 50.22 H new ATOM 0 HE2 MET A 152 -1.503 43.155 14.700 1.00 50.22 H new ATOM 0 HE3 MET A 152 -2.382 44.695 14.847 1.00 50.22 H new ATOM 899 N THR A 153 -5.793 43.800 18.126 1.00 73.21 N ATOM 900 CA THR A 153 -7.111 44.478 18.147 1.00 21.34 C ATOM 901 C THR A 153 -8.210 43.550 18.705 1.00 23.15 C ATOM 902 O THR A 153 -9.279 44.018 19.127 1.00 54.43 O ATOM 903 CB THR A 153 -7.520 44.951 16.708 1.00 43.21 C ATOM 904 OG1 THR A 153 -7.793 43.813 15.879 1.00 4.22 O ATOM 905 CG2 THR A 153 -6.418 45.798 16.036 1.00 42.51 C ATOM 0 H THR A 153 -5.650 43.209 17.307 1.00 73.21 H new ATOM 0 HA THR A 153 -7.015 45.346 18.800 1.00 21.34 H new ATOM 0 HB THR A 153 -8.410 45.571 16.817 1.00 43.21 H new ATOM 0 HG1 THR A 153 -7.014 43.219 15.872 1.00 4.22 H new ATOM 0 HG21 THR A 153 -6.748 46.102 15.042 1.00 42.51 H new ATOM 0 HG22 THR A 153 -6.221 46.684 16.640 1.00 42.51 H new ATOM 0 HG23 THR A 153 -5.506 45.207 15.951 1.00 42.51 H new ATOM 913 N GLY A 154 -7.939 42.230 18.692 1.00 54.55 N ATOM 914 CA GLY A 154 -8.932 41.220 19.070 1.00 13.31 C ATOM 915 C GLY A 154 -9.783 40.765 17.888 1.00 54.43 C ATOM 916 O GLY A 154 -10.623 39.876 18.033 1.00 11.54 O ATOM 0 H GLY A 154 -7.035 41.843 18.422 1.00 54.55 H new ATOM 0 HA2 GLY A 154 -8.423 40.358 19.500 1.00 13.31 H new ATOM 0 HA3 GLY A 154 -9.581 41.626 19.846 1.00 13.31 H new ATOM 920 N ASN A 155 -9.560 41.384 16.707 1.00 14.23 N ATOM 921 CA ASN A 155 -10.371 41.157 15.492 1.00 14.12 C ATOM 922 C ASN A 155 -9.460 41.027 14.262 1.00 42.15 C ATOM 923 O ASN A 155 -8.441 41.717 14.150 1.00 61.44 O ATOM 924 CB ASN A 155 -11.376 42.324 15.271 1.00 42.45 C ATOM 925 CG ASN A 155 -12.409 42.470 16.392 1.00 12.35 C ATOM 926 OD1 ASN A 155 -13.500 41.897 16.334 1.00 42.23 O ATOM 927 ND2 ASN A 155 -12.066 43.220 17.431 1.00 2.34 N ATOM 0 H ASN A 155 -8.808 42.059 16.570 1.00 14.23 H new ATOM 0 HA ASN A 155 -10.931 40.232 15.629 1.00 14.12 H new ATOM 0 HB2 ASN A 155 -10.820 43.257 15.178 1.00 42.45 H new ATOM 0 HB3 ASN A 155 -11.898 42.168 14.327 1.00 42.45 H new ATOM 0 HD21 ASN A 155 -12.712 43.336 18.212 1.00 2.34 H new ATOM 0 HD22 ASN A 155 -11.156 43.681 17.449 1.00 2.34 H new ATOM 934 N CYS A 156 -9.846 40.139 13.343 1.00 71.41 N ATOM 935 CA CYS A 156 -9.162 39.935 12.062 1.00 64.14 C ATOM 936 C CYS A 156 -10.162 40.171 10.920 1.00 22.31 C ATOM 937 O CYS A 156 -11.320 39.749 11.008 1.00 4.00 O ATOM 938 CB CYS A 156 -8.569 38.520 12.010 1.00 33.03 C ATOM 939 SG CYS A 156 -7.663 38.122 10.482 1.00 62.32 S ATOM 0 H CYS A 156 -10.655 39.531 13.469 1.00 71.41 H new ATOM 0 HA CYS A 156 -8.340 40.642 11.954 1.00 64.14 H new ATOM 0 HB2 CYS A 156 -7.895 38.393 12.858 1.00 33.03 H new ATOM 0 HB3 CYS A 156 -9.377 37.799 12.134 1.00 33.03 H new ATOM 944 N LYS A 157 -9.708 40.858 9.865 1.00 52.13 N ATOM 945 CA LYS A 157 -10.557 41.279 8.738 1.00 71.13 C ATOM 946 C LYS A 157 -10.859 40.105 7.783 1.00 63.54 C ATOM 947 O LYS A 157 -12.015 39.857 7.431 1.00 65.44 O ATOM 948 CB LYS A 157 -9.856 42.438 7.978 1.00 41.01 C ATOM 949 CG LYS A 157 -10.629 42.962 6.747 1.00 64.25 C ATOM 950 CD LYS A 157 -9.955 44.196 6.097 1.00 35.30 C ATOM 951 CE LYS A 157 -10.737 44.737 4.888 1.00 74.25 C ATOM 952 NZ LYS A 157 -10.055 45.894 4.246 1.00 25.41 N ATOM 0 H LYS A 157 -8.733 41.141 9.766 1.00 52.13 H new ATOM 0 HA LYS A 157 -11.513 41.624 9.132 1.00 71.13 H new ATOM 0 HB2 LYS A 157 -9.698 43.265 8.670 1.00 41.01 H new ATOM 0 HB3 LYS A 157 -8.871 42.100 7.655 1.00 41.01 H new ATOM 0 HG2 LYS A 157 -10.709 42.165 6.007 1.00 64.25 H new ATOM 0 HG3 LYS A 157 -11.644 43.223 7.045 1.00 64.25 H new ATOM 0 HD2 LYS A 157 -9.857 44.985 6.843 1.00 35.30 H new ATOM 0 HD3 LYS A 157 -8.947 43.929 5.781 1.00 35.30 H new ATOM 0 HE2 LYS A 157 -10.865 43.941 4.155 1.00 74.25 H new ATOM 0 HE3 LYS A 157 -11.734 45.038 5.208 1.00 74.25 H new ATOM 0 HZ1 LYS A 157 -10.619 46.224 3.437 1.00 25.41 H new ATOM 0 HZ2 LYS A 157 -9.956 46.665 4.936 1.00 25.41 H new ATOM 0 HZ3 LYS A 157 -9.113 45.602 3.916 1.00 25.41 H new ATOM 966 N TYR A 158 -9.796 39.407 7.368 1.00 24.11 N ATOM 967 CA TYR A 158 -9.868 38.328 6.352 1.00 12.53 C ATOM 968 C TYR A 158 -10.676 37.095 6.832 1.00 20.12 C ATOM 969 O TYR A 158 -11.268 36.384 6.009 1.00 40.34 O ATOM 970 CB TYR A 158 -8.440 37.911 5.928 1.00 74.20 C ATOM 971 CG TYR A 158 -7.581 39.070 5.391 1.00 53.13 C ATOM 972 CD1 TYR A 158 -8.013 39.849 4.310 1.00 71.25 C ATOM 973 CD2 TYR A 158 -6.341 39.383 5.960 1.00 23.31 C ATOM 974 CE1 TYR A 158 -7.246 40.892 3.826 1.00 51.32 C ATOM 975 CE2 TYR A 158 -5.573 40.423 5.475 1.00 54.51 C ATOM 976 CZ TYR A 158 -6.028 41.176 4.411 1.00 65.42 C ATOM 977 OH TYR A 158 -5.259 42.215 3.927 1.00 52.33 O ATOM 0 H TYR A 158 -8.854 39.568 7.723 1.00 24.11 H new ATOM 0 HA TYR A 158 -10.405 38.731 5.493 1.00 12.53 H new ATOM 0 HB2 TYR A 158 -7.934 37.464 6.784 1.00 74.20 H new ATOM 0 HB3 TYR A 158 -8.511 37.140 5.161 1.00 74.20 H new ATOM 0 HD1 TYR A 158 -8.963 39.631 3.846 1.00 71.25 H new ATOM 0 HD2 TYR A 158 -5.978 38.800 6.794 1.00 23.31 H new ATOM 0 HE1 TYR A 158 -7.598 41.483 2.993 1.00 51.32 H new ATOM 0 HE2 TYR A 158 -4.618 40.647 5.927 1.00 54.51 H new ATOM 0 HH TYR A 158 -4.433 42.282 4.450 1.00 52.33 H new ATOM 987 N GLY A 159 -10.685 36.853 8.156 1.00 43.31 N ATOM 988 CA GLY A 159 -11.452 35.750 8.750 1.00 60.54 C ATOM 989 C GLY A 159 -10.910 34.372 8.374 1.00 23.33 C ATOM 990 O GLY A 159 -9.827 33.992 8.821 1.00 65.24 O ATOM 0 H GLY A 159 -10.166 37.411 8.834 1.00 43.31 H new ATOM 0 HA2 GLY A 159 -11.444 35.853 9.835 1.00 60.54 H new ATOM 0 HA3 GLY A 159 -12.491 35.825 8.430 1.00 60.54 H new ATOM 994 N THR A 160 -11.654 33.635 7.528 1.00 40.12 N ATOM 995 CA THR A 160 -11.240 32.303 7.045 1.00 22.01 C ATOM 996 C THR A 160 -10.085 32.425 6.026 1.00 11.10 C ATOM 997 O THR A 160 -9.286 31.495 5.855 1.00 2.43 O ATOM 998 CB THR A 160 -12.449 31.520 6.420 1.00 52.14 C ATOM 999 OG1 THR A 160 -12.069 30.161 6.135 1.00 64.41 O ATOM 1000 CG2 THR A 160 -12.985 32.179 5.131 1.00 42.32 C ATOM 0 H THR A 160 -12.554 33.943 7.161 1.00 40.12 H new ATOM 0 HA THR A 160 -10.884 31.735 7.904 1.00 22.01 H new ATOM 0 HB THR A 160 -13.249 31.541 7.160 1.00 52.14 H new ATOM 0 HG1 THR A 160 -12.831 29.683 5.747 1.00 64.41 H new ATOM 0 HG21 THR A 160 -13.820 31.595 4.744 1.00 42.32 H new ATOM 0 HG22 THR A 160 -13.323 33.191 5.353 1.00 42.32 H new ATOM 0 HG23 THR A 160 -12.191 32.217 4.385 1.00 42.32 H new ATOM 1008 N ARG A 161 -9.997 33.604 5.376 1.00 4.21 N ATOM 1009 CA ARG A 161 -8.936 33.925 4.402 1.00 4.12 C ATOM 1010 C ARG A 161 -7.604 34.271 5.100 1.00 21.51 C ATOM 1011 O ARG A 161 -6.565 34.381 4.435 1.00 63.01 O ATOM 1012 CB ARG A 161 -9.374 35.110 3.514 1.00 50.14 C ATOM 1013 CG ARG A 161 -10.618 34.853 2.641 1.00 74.45 C ATOM 1014 CD ARG A 161 -10.963 36.076 1.777 1.00 53.20 C ATOM 1015 NE ARG A 161 -9.805 36.505 0.963 1.00 5.52 N ATOM 1016 CZ ARG A 161 -9.432 37.779 0.732 1.00 74.25 C ATOM 1017 NH1 ARG A 161 -10.117 38.802 1.240 1.00 0.03 N ATOM 1018 NH2 ARG A 161 -8.351 38.013 0.006 1.00 25.20 N ATOM 0 H ARG A 161 -10.664 34.363 5.514 1.00 4.21 H new ATOM 0 HA ARG A 161 -8.776 33.039 3.787 1.00 4.12 H new ATOM 0 HB2 ARG A 161 -9.571 35.970 4.155 1.00 50.14 H new ATOM 0 HB3 ARG A 161 -8.543 35.382 2.863 1.00 50.14 H new ATOM 0 HG2 ARG A 161 -10.441 33.991 1.998 1.00 74.45 H new ATOM 0 HG3 ARG A 161 -11.467 34.606 3.279 1.00 74.45 H new ATOM 0 HD2 ARG A 161 -11.801 35.836 1.123 1.00 53.20 H new ATOM 0 HD3 ARG A 161 -11.284 36.897 2.418 1.00 53.20 H new ATOM 0 HE ARG A 161 -9.238 35.771 0.539 1.00 5.52 H new ATOM 0 HH11 ARG A 161 -10.941 38.628 1.816 1.00 0.03 H new ATOM 0 HH12 ARG A 161 -9.818 39.759 1.053 1.00 0.03 H new ATOM 0 HH21 ARG A 161 -7.811 37.234 -0.371 1.00 25.20 H new ATOM 0 HH22 ARG A 161 -8.057 38.973 -0.177 1.00 25.20 H new ATOM 1032 N CYS A 162 -7.651 34.466 6.434 1.00 53.14 N ATOM 1033 CA CYS A 162 -6.468 34.796 7.237 1.00 53.42 C ATOM 1034 C CYS A 162 -5.541 33.576 7.358 1.00 21.41 C ATOM 1035 O CYS A 162 -6.006 32.444 7.569 1.00 1.53 O ATOM 1036 CB CYS A 162 -6.891 35.297 8.627 1.00 72.12 C ATOM 1037 SG CYS A 162 -5.511 35.698 9.745 1.00 34.43 S ATOM 0 H CYS A 162 -8.511 34.398 6.979 1.00 53.14 H new ATOM 0 HA CYS A 162 -5.918 35.592 6.736 1.00 53.42 H new ATOM 0 HB2 CYS A 162 -7.511 36.185 8.505 1.00 72.12 H new ATOM 0 HB3 CYS A 162 -7.513 34.536 9.098 1.00 72.12 H new ATOM 1042 N GLN A 163 -4.233 33.833 7.226 1.00 62.42 N ATOM 1043 CA GLN A 163 -3.197 32.796 7.230 1.00 4.12 C ATOM 1044 C GLN A 163 -3.042 32.173 8.622 1.00 21.40 C ATOM 1045 O GLN A 163 -3.091 30.961 8.769 1.00 2.02 O ATOM 1046 CB GLN A 163 -1.842 33.396 6.773 1.00 41.41 C ATOM 1047 CG GLN A 163 -1.858 34.009 5.357 1.00 62.42 C ATOM 1048 CD GLN A 163 -0.540 34.686 4.974 1.00 71.13 C ATOM 1049 OE1 GLN A 163 0.535 34.291 5.429 1.00 63.54 O ATOM 1050 NE2 GLN A 163 -0.609 35.705 4.130 1.00 24.22 N ATOM 0 H GLN A 163 -3.862 34.776 7.112 1.00 62.42 H new ATOM 0 HA GLN A 163 -3.502 32.013 6.535 1.00 4.12 H new ATOM 0 HB2 GLN A 163 -1.541 34.165 7.485 1.00 41.41 H new ATOM 0 HB3 GLN A 163 -1.083 32.615 6.808 1.00 41.41 H new ATOM 0 HG2 GLN A 163 -2.080 33.226 4.632 1.00 62.42 H new ATOM 0 HG3 GLN A 163 -2.665 34.739 5.294 1.00 62.42 H new ATOM 0 HE21 GLN A 163 -1.514 36.009 3.770 1.00 24.22 H new ATOM 0 HE22 GLN A 163 0.243 36.185 3.840 1.00 24.22 H new ATOM 1059 N PHE A 164 -2.908 33.040 9.628 1.00 14.14 N ATOM 1060 CA PHE A 164 -2.459 32.670 10.983 1.00 41.53 C ATOM 1061 C PHE A 164 -3.651 32.368 11.925 1.00 21.22 C ATOM 1062 O PHE A 164 -4.751 32.909 11.731 1.00 62.33 O ATOM 1063 CB PHE A 164 -1.572 33.808 11.532 1.00 43.23 C ATOM 1064 CG PHE A 164 -0.361 34.133 10.654 1.00 2.12 C ATOM 1065 CD1 PHE A 164 -0.339 35.274 9.840 1.00 52.01 C ATOM 1066 CD2 PHE A 164 0.753 33.292 10.633 1.00 33.20 C ATOM 1067 CE1 PHE A 164 0.754 35.557 9.042 1.00 52.31 C ATOM 1068 CE2 PHE A 164 1.846 33.578 9.833 1.00 71.13 C ATOM 1069 CZ PHE A 164 1.846 34.709 9.038 1.00 61.13 C ATOM 0 H PHE A 164 -3.110 34.035 9.528 1.00 14.14 H new ATOM 0 HA PHE A 164 -1.879 31.749 10.931 1.00 41.53 H new ATOM 0 HB2 PHE A 164 -2.179 34.707 11.643 1.00 43.23 H new ATOM 0 HB3 PHE A 164 -1.223 33.534 12.528 1.00 43.23 H new ATOM 0 HD1 PHE A 164 -1.188 35.942 9.836 1.00 52.01 H new ATOM 0 HD2 PHE A 164 0.762 32.405 11.250 1.00 33.20 H new ATOM 0 HE1 PHE A 164 0.755 36.441 8.421 1.00 52.31 H new ATOM 0 HE2 PHE A 164 2.700 32.917 9.830 1.00 71.13 H new ATOM 0 HZ PHE A 164 2.699 34.930 8.414 1.00 61.13 H new ATOM 1079 N ILE A 165 -3.405 31.485 12.926 1.00 11.23 N ATOM 1080 CA ILE A 165 -4.441 30.948 13.851 1.00 3.42 C ATOM 1081 C ILE A 165 -5.137 32.067 14.664 1.00 41.22 C ATOM 1082 O ILE A 165 -4.470 32.902 15.283 1.00 62.25 O ATOM 1083 CB ILE A 165 -3.823 29.898 14.870 1.00 25.31 C ATOM 1084 CG1 ILE A 165 -3.112 28.733 14.110 1.00 22.02 C ATOM 1085 CG2 ILE A 165 -4.898 29.349 15.856 1.00 4.44 C ATOM 1086 CD1 ILE A 165 -2.515 27.648 14.996 1.00 24.53 C ATOM 0 H ILE A 165 -2.472 31.121 13.117 1.00 11.23 H new ATOM 0 HA ILE A 165 -5.179 30.457 13.217 1.00 3.42 H new ATOM 0 HB ILE A 165 -3.075 30.422 15.464 1.00 25.31 H new ATOM 0 HG12 ILE A 165 -3.830 28.271 13.432 1.00 22.02 H new ATOM 0 HG13 ILE A 165 -2.318 29.154 13.494 1.00 22.02 H new ATOM 0 HG21 ILE A 165 -4.436 28.634 16.537 1.00 4.44 H new ATOM 0 HG22 ILE A 165 -5.321 30.174 16.429 1.00 4.44 H new ATOM 0 HG23 ILE A 165 -5.690 28.855 15.293 1.00 4.44 H new ATOM 0 HD11 ILE A 165 -2.045 26.887 14.373 1.00 24.53 H new ATOM 0 HD12 ILE A 165 -1.768 28.088 15.657 1.00 24.53 H new ATOM 0 HD13 ILE A 165 -3.304 27.191 15.594 1.00 24.53 H new ATOM 1098 N HIS A 166 -6.481 32.056 14.662 1.00 21.31 N ATOM 1099 CA HIS A 166 -7.300 32.948 15.500 1.00 21.15 C ATOM 1100 C HIS A 166 -7.501 32.302 16.875 1.00 12.11 C ATOM 1101 O HIS A 166 -8.384 31.454 17.058 1.00 13.11 O ATOM 1102 CB HIS A 166 -8.660 33.248 14.809 1.00 75.12 C ATOM 1103 CG HIS A 166 -8.529 34.050 13.540 1.00 73.43 C ATOM 1104 ND1 HIS A 166 -9.550 34.267 12.649 1.00 64.32 N ATOM 1105 CD2 HIS A 166 -7.465 34.738 13.053 1.00 14.14 C ATOM 1106 CE1 HIS A 166 -9.087 35.055 11.676 1.00 41.32 C ATOM 1107 NE2 HIS A 166 -7.814 35.373 11.875 1.00 13.01 N ATOM 0 H HIS A 166 -7.031 31.427 14.078 1.00 21.31 H new ATOM 0 HA HIS A 166 -6.787 33.900 15.633 1.00 21.15 H new ATOM 0 HB2 HIS A 166 -9.159 32.305 14.583 1.00 75.12 H new ATOM 0 HB3 HIS A 166 -9.300 33.789 15.506 1.00 75.12 H new ATOM 0 HD1 HIS A 166 -10.496 33.892 12.718 1.00 64.32 H new ATOM 0 HD2 HIS A 166 -6.491 34.783 13.517 1.00 14.14 H new ATOM 0 HE1 HIS A 166 -9.674 35.391 10.834 1.00 41.32 H new ATOM 1115 N LYS A 167 -6.625 32.671 17.814 1.00 40.22 N ATOM 1116 CA LYS A 167 -6.657 32.187 19.200 1.00 4.21 C ATOM 1117 C LYS A 167 -7.157 33.329 20.096 1.00 31.23 C ATOM 1118 O LYS A 167 -6.651 34.457 19.992 1.00 22.44 O ATOM 1119 CB LYS A 167 -5.232 31.726 19.617 1.00 31.30 C ATOM 1120 CG LYS A 167 -5.133 31.026 20.992 1.00 41.20 C ATOM 1121 CD LYS A 167 -5.900 29.683 21.043 1.00 51.40 C ATOM 1122 CE LYS A 167 -5.758 28.967 22.398 1.00 22.12 C ATOM 1123 NZ LYS A 167 -6.232 29.804 23.535 1.00 73.53 N ATOM 0 H LYS A 167 -5.862 33.323 17.632 1.00 40.22 H new ATOM 0 HA LYS A 167 -7.329 31.335 19.301 1.00 4.21 H new ATOM 0 HB2 LYS A 167 -4.852 31.046 18.855 1.00 31.30 H new ATOM 0 HB3 LYS A 167 -4.575 32.596 19.624 1.00 31.30 H new ATOM 0 HG2 LYS A 167 -4.084 30.848 21.228 1.00 41.20 H new ATOM 0 HG3 LYS A 167 -5.525 31.691 21.761 1.00 41.20 H new ATOM 0 HD2 LYS A 167 -6.956 29.865 20.842 1.00 51.40 H new ATOM 0 HD3 LYS A 167 -5.533 29.030 20.252 1.00 51.40 H new ATOM 0 HE2 LYS A 167 -6.324 28.036 22.375 1.00 22.12 H new ATOM 0 HE3 LYS A 167 -4.713 28.701 22.557 1.00 22.12 H new ATOM 0 HZ1 LYS A 167 -6.227 29.239 24.408 1.00 73.53 H new ATOM 0 HZ2 LYS A 167 -5.601 30.623 23.650 1.00 73.53 H new ATOM 0 HZ3 LYS A 167 -7.199 30.136 23.342 1.00 73.53 H new ATOM 1137 N ILE A 168 -8.145 33.036 20.964 1.00 64.32 N ATOM 1138 CA ILE A 168 -8.784 34.049 21.822 1.00 53.43 C ATOM 1139 C ILE A 168 -7.762 34.591 22.840 1.00 31.24 C ATOM 1140 O ILE A 168 -7.229 33.842 23.668 1.00 33.12 O ATOM 1141 CB ILE A 168 -10.060 33.472 22.554 1.00 12.43 C ATOM 1142 CG1 ILE A 168 -11.158 33.064 21.513 1.00 21.43 C ATOM 1143 CG2 ILE A 168 -10.629 34.465 23.605 1.00 22.55 C ATOM 1144 CD1 ILE A 168 -11.711 34.208 20.666 1.00 45.44 C ATOM 0 H ILE A 168 -8.520 32.096 21.089 1.00 64.32 H new ATOM 0 HA ILE A 168 -9.123 34.869 21.189 1.00 53.43 H new ATOM 0 HB ILE A 168 -9.749 32.579 23.096 1.00 12.43 H new ATOM 0 HG12 ILE A 168 -10.741 32.309 20.847 1.00 21.43 H new ATOM 0 HG13 ILE A 168 -11.985 32.596 22.047 1.00 21.43 H new ATOM 0 HG21 ILE A 168 -11.505 34.027 24.083 1.00 22.55 H new ATOM 0 HG22 ILE A 168 -9.869 34.672 24.359 1.00 22.55 H new ATOM 0 HG23 ILE A 168 -10.912 35.395 23.111 1.00 22.55 H new ATOM 0 HD11 ILE A 168 -12.463 33.821 19.979 1.00 45.44 H new ATOM 0 HD12 ILE A 168 -12.164 34.956 21.316 1.00 45.44 H new ATOM 0 HD13 ILE A 168 -10.901 34.665 20.098 1.00 45.44 H new ATOM 1156 N VAL A 169 -7.484 35.895 22.715 1.00 73.25 N ATOM 1157 CA VAL A 169 -6.491 36.617 23.517 1.00 14.31 C ATOM 1158 C VAL A 169 -6.972 36.748 24.975 1.00 62.52 C ATOM 1159 O VAL A 169 -8.067 37.271 25.227 1.00 71.20 O ATOM 1160 CB VAL A 169 -6.223 38.040 22.901 1.00 63.21 C ATOM 1161 CG1 VAL A 169 -5.113 38.803 23.665 1.00 31.14 C ATOM 1162 CG2 VAL A 169 -5.898 37.931 21.392 1.00 22.41 C ATOM 0 H VAL A 169 -7.956 36.491 22.035 1.00 73.25 H new ATOM 0 HA VAL A 169 -5.559 36.052 23.508 1.00 14.31 H new ATOM 0 HB VAL A 169 -7.138 38.623 23.010 1.00 63.21 H new ATOM 0 HG11 VAL A 169 -4.961 39.780 23.206 1.00 31.14 H new ATOM 0 HG12 VAL A 169 -5.411 38.933 24.705 1.00 31.14 H new ATOM 0 HG13 VAL A 169 -4.185 38.234 23.622 1.00 31.14 H new ATOM 0 HG21 VAL A 169 -5.716 38.926 20.986 1.00 22.41 H new ATOM 0 HG22 VAL A 169 -5.009 37.315 21.255 1.00 22.41 H new ATOM 0 HG23 VAL A 169 -6.739 37.475 20.871 1.00 22.41 H new ATOM 1172 N ASP A 170 -6.139 36.265 25.914 1.00 51.30 N ATOM 1173 CA ASP A 170 -6.446 36.262 27.353 1.00 1.12 C ATOM 1174 C ASP A 170 -6.487 37.701 27.908 1.00 42.34 C ATOM 1175 O ASP A 170 -5.537 38.477 27.717 1.00 75.10 O ATOM 1176 CB ASP A 170 -5.398 35.410 28.118 1.00 71.14 C ATOM 1177 CG ASP A 170 -5.697 35.276 29.628 1.00 54.14 C ATOM 1178 OD1 ASP A 170 -6.483 34.380 30.013 1.00 12.32 O ATOM 1179 OD2 ASP A 170 -5.153 36.063 30.436 1.00 2.32 O ATOM 0 H ASP A 170 -5.228 35.863 25.693 1.00 51.30 H new ATOM 0 HA ASP A 170 -7.431 35.819 27.497 1.00 1.12 H new ATOM 0 HB2 ASP A 170 -5.356 34.415 27.674 1.00 71.14 H new ATOM 0 HB3 ASP A 170 -4.413 35.858 27.989 1.00 71.14 H new ATOM 1184 N GLY A 171 -7.605 38.039 28.564 1.00 25.01 N ATOM 1185 CA GLY A 171 -7.795 39.339 29.199 1.00 51.05 C ATOM 1186 C GLY A 171 -9.252 39.761 29.157 1.00 24.13 C ATOM 1187 O GLY A 171 -9.899 39.922 30.203 1.00 33.32 O ATOM 0 H GLY A 171 -8.403 37.412 28.667 1.00 25.01 H new ATOM 0 HA2 GLY A 171 -7.456 39.294 30.234 1.00 51.05 H new ATOM 0 HA3 GLY A 171 -7.182 40.086 28.695 1.00 51.05 H new ATOM 1191 N ASN A 172 -9.773 39.919 27.929 1.00 73.35 N ATOM 1192 CA ASN A 172 -11.161 40.341 27.680 1.00 62.50 C ATOM 1193 C ASN A 172 -12.116 39.140 27.838 1.00 50.03 C ATOM 1194 O ASN A 172 -12.454 38.459 26.859 1.00 31.52 O ATOM 1195 CB ASN A 172 -11.297 40.985 26.263 1.00 3.54 C ATOM 1196 CG ASN A 172 -10.520 42.299 26.085 1.00 61.23 C ATOM 1197 OD1 ASN A 172 -9.486 42.531 26.715 1.00 62.34 O ATOM 1198 ND2 ASN A 172 -11.009 43.167 25.208 1.00 33.24 N ATOM 0 H ASN A 172 -9.239 39.756 27.075 1.00 73.35 H new ATOM 0 HA ASN A 172 -11.435 41.097 28.416 1.00 62.50 H new ATOM 0 HB2 ASN A 172 -10.951 40.269 25.517 1.00 3.54 H new ATOM 0 HB3 ASN A 172 -12.352 41.171 26.062 1.00 3.54 H new ATOM 0 HD21 ASN A 172 -10.527 44.051 25.042 1.00 33.24 H new ATOM 0 HD22 ASN A 172 -11.866 42.950 24.700 1.00 33.24 H new ATOM 1205 N ALA A 173 -12.509 38.874 29.092 1.00 11.41 N ATOM 1206 CA ALA A 173 -13.422 37.781 29.453 1.00 53.44 C ATOM 1207 C ALA A 173 -14.279 38.229 30.658 1.00 64.13 C ATOM 1208 O ALA A 173 -13.720 38.385 31.767 1.00 1.10 O ATOM 1209 CB ALA A 173 -12.633 36.490 29.756 1.00 72.10 C ATOM 1210 OXT ALA A 173 -15.498 38.448 30.487 1.00 37.87 O ATOM 0 H ALA A 173 -12.197 39.420 29.895 1.00 11.41 H new ATOM 0 HA ALA A 173 -14.084 37.555 28.617 1.00 53.44 H new ATOM 0 HB1 ALA A 173 -13.328 35.693 30.021 1.00 72.10 H new ATOM 0 HB2 ALA A 173 -12.063 36.196 28.874 1.00 72.10 H new ATOM 0 HB3 ALA A 173 -11.950 36.667 30.587 1.00 72.10 H new TER 1216 ALA A 173 HETATM 1217 ZN ZN A 201 -0.109 0.485 1.588 1.00 22.43 ZN HETATM 1218 ZN ZN A 202 -6.418 36.684 11.158 1.00 45.43 ZN