USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 458 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 118 HIS HD1 : A 118 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD NoAdj-H: A 154 HIS HD1 : A 154 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 148 ASN : amide:sc= -0.63 X(o=-0.63,f=-0.39) USER MOD Single : A 150 LYS NZ :NH3+ 164:sc= -3.3! (180deg=-3.67!) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.839 USER MOD Single : A 153 CYS SG : rot -39:sc= 0.0626 USER MOD Single : A 155 SER OG : rot 180:sc= 0.052 USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 162 GLN : amide:sc= -0.045 X(o=-0.045,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 108 80.504 -0.760 12.583 1.00 10.33 N ATOM 2 CA PRO A 108 79.426 -1.784 12.510 1.00 9.87 C ATOM 3 C PRO A 108 78.146 -1.214 11.901 1.00 9.14 C ATOM 4 O PRO A 108 77.606 -1.761 10.940 1.00 9.03 O ATOM 5 CB PRO A 108 79.167 -2.281 13.929 1.00 10.34 C ATOM 6 CG PRO A 108 80.000 -1.394 14.791 1.00 11.01 C ATOM 7 CD PRO A 108 81.117 -0.878 13.916 1.00 10.96 C ATOM 0 HA PRO A 108 79.742 -2.603 11.863 1.00 9.87 H new ATOM 0 HB2 PRO A 108 78.111 -2.209 14.189 1.00 10.34 H new ATOM 0 HB3 PRO A 108 79.453 -3.327 14.042 1.00 10.34 H new ATOM 0 HG2 PRO A 108 79.407 -0.571 15.190 1.00 11.01 H new ATOM 0 HG3 PRO A 108 80.397 -1.943 15.645 1.00 11.01 H new ATOM 0 HD2 PRO A 108 81.489 0.083 14.270 1.00 10.96 H new ATOM 0 HD3 PRO A 108 81.964 -1.564 13.906 1.00 10.96 H new ATOM 17 N ARG A 109 77.666 -0.112 12.469 1.00 8.91 N ATOM 18 CA ARG A 109 76.454 0.534 11.985 1.00 8.49 C ATOM 19 C ARG A 109 76.670 1.119 10.593 1.00 7.86 C ATOM 20 O ARG A 109 75.933 0.811 9.656 1.00 7.78 O ATOM 21 CB ARG A 109 76.016 1.634 12.952 1.00 8.84 C ATOM 22 CG ARG A 109 74.511 1.709 13.152 1.00 9.50 C ATOM 23 CD ARG A 109 74.126 2.883 14.039 1.00 10.20 C ATOM 24 NE ARG A 109 72.789 2.726 14.607 1.00 10.78 N ATOM 25 CZ ARG A 109 71.665 2.833 13.902 1.00 11.32 C ATOM 26 NH1 ARG A 109 71.712 3.091 12.600 1.00 11.37 N ATOM 27 NH2 ARG A 109 70.491 2.682 14.499 1.00 12.00 N ATOM 0 H ARG A 109 78.100 0.352 13.267 1.00 8.91 H new ATOM 0 HA ARG A 109 75.669 -0.219 11.925 1.00 8.49 H new ATOM 0 HB2 ARG A 109 76.494 1.468 13.917 1.00 8.84 H new ATOM 0 HB3 ARG A 109 76.373 2.595 12.581 1.00 8.84 H new ATOM 0 HG2 ARG A 109 74.018 1.805 12.184 1.00 9.50 H new ATOM 0 HG3 ARG A 109 74.155 0.781 13.600 1.00 9.50 H new ATOM 0 HD2 ARG A 109 74.853 2.982 14.845 1.00 10.20 H new ATOM 0 HD3 ARG A 109 74.167 3.805 13.458 1.00 10.20 H new ATOM 0 HE ARG A 109 72.712 2.522 15.603 1.00 10.78 H new ATOM 0 HH11 ARG A 109 72.613 3.208 12.135 1.00 11.37 H new ATOM 0 HH12 ARG A 109 70.848 3.172 12.065 1.00 11.37 H new ATOM 0 HH21 ARG A 109 70.449 2.484 15.499 1.00 12.00 H new ATOM 0 HH22 ARG A 109 69.630 2.764 13.959 1.00 12.00 H new ATOM 41 N VAL A 110 77.686 1.966 10.466 1.00 7.68 N ATOM 42 CA VAL A 110 78.003 2.596 9.190 1.00 7.34 C ATOM 43 C VAL A 110 78.927 1.714 8.355 1.00 6.54 C ATOM 44 O VAL A 110 79.590 0.822 8.883 1.00 6.26 O ATOM 45 CB VAL A 110 78.670 3.972 9.391 1.00 7.82 C ATOM 46 CG1 VAL A 110 78.706 4.744 8.083 1.00 8.21 C ATOM 47 CG2 VAL A 110 77.944 4.765 10.468 1.00 8.46 C ATOM 0 H VAL A 110 78.304 2.232 11.232 1.00 7.68 H new ATOM 0 HA VAL A 110 77.059 2.732 8.663 1.00 7.34 H new ATOM 0 HB VAL A 110 79.697 3.813 9.720 1.00 7.82 H new ATOM 0 HG11 VAL A 110 79.180 5.712 8.245 1.00 8.21 H new ATOM 0 HG12 VAL A 110 79.275 4.180 7.343 1.00 8.21 H new ATOM 0 HG13 VAL A 110 77.689 4.894 7.721 1.00 8.21 H new ATOM 0 HG21 VAL A 110 78.429 5.733 10.596 1.00 8.46 H new ATOM 0 HG22 VAL A 110 76.906 4.915 10.172 1.00 8.46 H new ATOM 0 HG23 VAL A 110 77.977 4.216 11.409 1.00 8.46 H new ATOM 57 N LEU A 111 78.963 1.969 7.052 1.00 6.49 N ATOM 58 CA LEU A 111 79.806 1.197 6.145 1.00 6.05 C ATOM 59 C LEU A 111 81.273 1.282 6.556 1.00 5.68 C ATOM 60 O LEU A 111 82.021 0.314 6.424 1.00 6.10 O ATOM 61 CB LEU A 111 79.638 1.697 4.709 1.00 6.60 C ATOM 62 CG LEU A 111 79.762 0.621 3.631 1.00 6.95 C ATOM 63 CD1 LEU A 111 78.627 -0.385 3.746 1.00 7.53 C ATOM 64 CD2 LEU A 111 79.778 1.253 2.246 1.00 7.37 C ATOM 0 H LEU A 111 78.419 2.704 6.600 1.00 6.49 H new ATOM 0 HA LEU A 111 79.493 0.154 6.200 1.00 6.05 H new ATOM 0 HB2 LEU A 111 78.661 2.171 4.617 1.00 6.60 H new ATOM 0 HB3 LEU A 111 80.385 2.468 4.519 1.00 6.60 H new ATOM 0 HG LEU A 111 80.704 0.093 3.779 1.00 6.95 H new ATOM 0 HD11 LEU A 111 78.733 -1.143 2.970 1.00 7.53 H new ATOM 0 HD12 LEU A 111 78.661 -0.861 4.726 1.00 7.53 H new ATOM 0 HD13 LEU A 111 77.673 0.128 3.625 1.00 7.53 H new ATOM 0 HD21 LEU A 111 79.867 0.472 1.491 1.00 7.37 H new ATOM 0 HD22 LEU A 111 78.853 1.807 2.088 1.00 7.37 H new ATOM 0 HD23 LEU A 111 80.626 1.933 2.166 1.00 7.37 H new ATOM 76 N ALA A 112 81.677 2.447 7.053 1.00 5.15 N ATOM 77 CA ALA A 112 83.055 2.657 7.483 1.00 4.90 C ATOM 78 C ALA A 112 83.204 2.426 8.984 1.00 5.28 C ATOM 79 O ALA A 112 82.217 2.389 9.718 1.00 5.66 O ATOM 80 CB ALA A 112 83.511 4.061 7.116 1.00 4.47 C ATOM 0 H ALA A 112 81.071 3.259 7.168 1.00 5.15 H new ATOM 0 HA ALA A 112 83.686 1.933 6.967 1.00 4.90 H new ATOM 0 HB1 ALA A 112 84.541 4.206 7.442 1.00 4.47 H new ATOM 0 HB2 ALA A 112 83.450 4.192 6.036 1.00 4.47 H new ATOM 0 HB3 ALA A 112 82.869 4.792 7.607 1.00 4.47 H new ATOM 86 N GLU A 113 84.446 2.269 9.432 1.00 5.43 N ATOM 87 CA GLU A 113 84.725 2.040 10.844 1.00 5.94 C ATOM 88 C GLU A 113 84.838 3.364 11.596 1.00 6.10 C ATOM 89 O GLU A 113 84.626 4.434 11.024 1.00 6.17 O ATOM 90 CB GLU A 113 86.018 1.236 11.005 1.00 6.32 C ATOM 91 CG GLU A 113 85.944 -0.158 10.403 1.00 6.89 C ATOM 92 CD GLU A 113 84.901 -1.028 11.074 1.00 7.44 C ATOM 93 OE1 GLU A 113 85.063 -1.332 12.275 1.00 7.92 O ATOM 94 OE2 GLU A 113 83.919 -1.406 10.399 1.00 7.69 O ATOM 0 H GLU A 113 85.274 2.296 8.837 1.00 5.43 H new ATOM 0 HA GLU A 113 83.897 1.471 11.267 1.00 5.94 H new ATOM 0 HB2 GLU A 113 86.837 1.782 10.537 1.00 6.32 H new ATOM 0 HB3 GLU A 113 86.255 1.153 12.066 1.00 6.32 H new ATOM 0 HG2 GLU A 113 85.716 -0.079 9.340 1.00 6.89 H new ATOM 0 HG3 GLU A 113 86.919 -0.638 10.485 1.00 6.89 H new ATOM 101 N ARG A 114 85.173 3.284 12.881 1.00 6.45 N ATOM 102 CA ARG A 114 85.314 4.475 13.709 1.00 6.82 C ATOM 103 C ARG A 114 86.354 5.427 13.126 1.00 6.52 C ATOM 104 O ARG A 114 86.924 5.165 12.068 1.00 6.48 O ATOM 105 CB ARG A 114 85.707 4.086 15.137 1.00 7.39 C ATOM 106 CG ARG A 114 85.060 4.953 16.204 1.00 8.23 C ATOM 107 CD ARG A 114 86.060 5.364 17.274 1.00 8.84 C ATOM 108 NE ARG A 114 85.715 6.645 17.887 1.00 9.52 N ATOM 109 CZ ARG A 114 86.500 7.292 18.743 1.00 10.11 C ATOM 110 NH1 ARG A 114 87.674 6.784 19.094 1.00 10.12 N ATOM 111 NH2 ARG A 114 86.109 8.453 19.253 1.00 10.88 N ATOM 0 H ARG A 114 85.351 2.407 13.370 1.00 6.45 H new ATOM 0 HA ARG A 114 84.352 4.986 13.729 1.00 6.82 H new ATOM 0 HB2 ARG A 114 85.432 3.046 15.310 1.00 7.39 H new ATOM 0 HB3 ARG A 114 86.791 4.150 15.237 1.00 7.39 H new ATOM 0 HG2 ARG A 114 84.635 5.844 15.741 1.00 8.23 H new ATOM 0 HG3 ARG A 114 84.236 4.409 16.665 1.00 8.23 H new ATOM 0 HD2 ARG A 114 86.103 4.594 18.044 1.00 8.84 H new ATOM 0 HD3 ARG A 114 87.055 5.430 16.834 1.00 8.84 H new ATOM 0 HE ARG A 114 84.819 7.068 17.644 1.00 9.52 H new ATOM 0 HH11 ARG A 114 87.980 5.891 18.707 1.00 10.12 H new ATOM 0 HH12 ARG A 114 88.271 7.286 19.751 1.00 10.12 H new ATOM 0 HH21 ARG A 114 85.207 8.848 18.988 1.00 10.88 H new ATOM 0 HH22 ARG A 114 86.711 8.950 19.910 1.00 10.88 H new ATOM 125 N GLY A 115 86.594 6.531 13.824 1.00 6.59 N ATOM 126 CA GLY A 115 87.565 7.505 13.359 1.00 6.53 C ATOM 127 C GLY A 115 88.920 7.338 14.020 1.00 6.78 C ATOM 128 O GLY A 115 89.677 8.299 14.149 1.00 6.99 O ATOM 0 H GLY A 115 86.134 6.769 14.703 1.00 6.59 H new ATOM 0 HA2 GLY A 115 87.678 7.413 12.279 1.00 6.53 H new ATOM 0 HA3 GLY A 115 87.190 8.509 13.556 1.00 6.53 H new ATOM 132 N GLU A 116 89.227 6.115 14.438 1.00 6.92 N ATOM 133 CA GLU A 116 90.500 5.828 15.089 1.00 7.28 C ATOM 134 C GLU A 116 91.668 6.142 14.159 1.00 7.01 C ATOM 135 O GLU A 116 92.654 6.754 14.568 1.00 7.37 O ATOM 136 CB GLU A 116 90.558 4.362 15.520 1.00 7.73 C ATOM 137 CG GLU A 116 89.900 4.097 16.865 1.00 8.27 C ATOM 138 CD GLU A 116 89.752 2.617 17.161 1.00 8.72 C ATOM 139 OE1 GLU A 116 90.788 1.941 17.334 1.00 9.05 O ATOM 140 OE2 GLU A 116 88.601 2.135 17.218 1.00 8.96 O ATOM 0 H GLU A 116 88.612 5.307 14.338 1.00 6.92 H new ATOM 0 HA GLU A 116 90.579 6.462 15.972 1.00 7.28 H new ATOM 0 HB2 GLU A 116 90.073 3.749 14.760 1.00 7.73 H new ATOM 0 HB3 GLU A 116 91.600 4.046 15.566 1.00 7.73 H new ATOM 0 HG2 GLU A 116 90.491 4.564 17.653 1.00 8.27 H new ATOM 0 HG3 GLU A 116 88.917 4.567 16.883 1.00 8.27 H new ATOM 147 N GLY A 117 91.548 5.720 12.905 1.00 6.59 N ATOM 148 CA GLY A 117 92.598 5.965 11.935 1.00 6.40 C ATOM 149 C GLY A 117 92.063 6.097 10.522 1.00 5.64 C ATOM 150 O GLY A 117 91.146 6.878 10.269 1.00 5.49 O ATOM 0 H GLY A 117 90.741 5.212 12.543 1.00 6.59 H new ATOM 0 HA2 GLY A 117 93.132 6.876 12.205 1.00 6.40 H new ATOM 0 HA3 GLY A 117 93.320 5.149 11.972 1.00 6.40 H new ATOM 154 N HIS A 118 92.637 5.330 9.600 1.00 5.19 N ATOM 155 CA HIS A 118 92.211 5.363 8.207 1.00 4.46 C ATOM 156 C HIS A 118 90.792 4.823 8.060 1.00 4.06 C ATOM 157 O HIS A 118 90.320 4.057 8.899 1.00 4.20 O ATOM 158 CB HIS A 118 93.168 4.544 7.339 1.00 4.14 C ATOM 159 CG HIS A 118 94.542 5.130 7.238 1.00 4.36 C ATOM 160 ND1 HIS A 118 94.735 6.474 7.037 1.00 4.82 N ATOM 161 CD2 HIS A 118 95.748 4.515 7.314 1.00 4.24 C ATOM 162 CE1 HIS A 118 96.044 6.649 6.995 1.00 4.97 C ATOM 163 NE2 HIS A 118 96.699 5.490 7.158 1.00 4.60 N ATOM 0 H HIS A 118 93.398 4.679 9.793 1.00 5.19 H new ATOM 0 HA HIS A 118 92.225 6.401 7.874 1.00 4.46 H new ATOM 0 HB2 HIS A 118 93.242 3.536 7.747 1.00 4.14 H new ATOM 0 HB3 HIS A 118 92.747 4.452 6.338 1.00 4.14 H new ATOM 0 HD2 HIS A 118 95.925 3.461 7.468 1.00 4.24 H new ATOM 0 HE1 HIS A 118 96.526 7.604 6.848 1.00 4.97 H new ATOM 0 HE2 HIS A 118 97.711 5.359 7.165 1.00 4.60 H new ATOM 171 N ARG A 119 90.119 5.222 6.986 1.00 3.68 N ATOM 172 CA ARG A 119 88.757 4.772 6.728 1.00 3.29 C ATOM 173 C ARG A 119 88.761 3.527 5.846 1.00 2.55 C ATOM 174 O ARG A 119 88.011 2.580 6.086 1.00 2.42 O ATOM 175 CB ARG A 119 87.946 5.884 6.061 1.00 3.40 C ATOM 176 CG ARG A 119 88.568 6.405 4.776 1.00 3.29 C ATOM 177 CD ARG A 119 87.677 7.437 4.102 1.00 3.67 C ATOM 178 NE ARG A 119 87.501 8.629 4.927 1.00 3.86 N ATOM 179 CZ ARG A 119 87.107 9.808 4.452 1.00 4.35 C ATOM 180 NH1 ARG A 119 86.846 9.957 3.158 1.00 4.64 N ATOM 181 NH2 ARG A 119 86.971 10.842 5.271 1.00 4.88 N ATOM 0 H ARG A 119 90.495 5.856 6.281 1.00 3.68 H new ATOM 0 HA ARG A 119 88.293 4.521 7.682 1.00 3.29 H new ATOM 0 HB2 ARG A 119 86.944 5.512 5.845 1.00 3.40 H new ATOM 0 HB3 ARG A 119 87.834 6.711 6.762 1.00 3.40 H new ATOM 0 HG2 ARG A 119 89.539 6.849 4.995 1.00 3.29 H new ATOM 0 HG3 ARG A 119 88.744 5.574 4.093 1.00 3.29 H new ATOM 0 HD2 ARG A 119 88.111 7.720 3.143 1.00 3.67 H new ATOM 0 HD3 ARG A 119 86.703 6.994 3.892 1.00 3.67 H new ATOM 0 HE ARG A 119 87.691 8.553 5.926 1.00 3.86 H new ATOM 0 HH11 ARG A 119 86.947 9.165 2.523 1.00 4.64 H new ATOM 0 HH12 ARG A 119 86.544 10.863 2.800 1.00 4.64 H new ATOM 0 HH21 ARG A 119 87.168 10.734 6.266 1.00 4.88 H new ATOM 0 HH22 ARG A 119 86.669 11.745 4.906 1.00 4.88 H new ATOM 195 N PHE A 120 89.612 3.537 4.826 1.00 2.20 N ATOM 196 CA PHE A 120 89.723 2.412 3.905 1.00 1.52 C ATOM 197 C PHE A 120 88.375 2.076 3.276 1.00 1.27 C ATOM 198 O PHE A 120 87.559 1.373 3.872 1.00 1.46 O ATOM 199 CB PHE A 120 90.264 1.181 4.630 1.00 1.60 C ATOM 200 CG PHE A 120 91.672 1.335 5.127 1.00 1.77 C ATOM 201 CD1 PHE A 120 92.688 1.716 4.264 1.00 1.32 C ATOM 202 CD2 PHE A 120 91.983 1.093 6.455 1.00 2.46 C ATOM 203 CE1 PHE A 120 93.985 1.855 4.718 1.00 1.56 C ATOM 204 CE2 PHE A 120 93.279 1.231 6.916 1.00 2.70 C ATOM 205 CZ PHE A 120 94.281 1.612 6.045 1.00 2.25 C ATOM 0 H PHE A 120 90.237 4.315 4.616 1.00 2.20 H new ATOM 0 HA PHE A 120 90.414 2.702 3.114 1.00 1.52 H new ATOM 0 HB2 PHE A 120 89.614 0.955 5.475 1.00 1.60 H new ATOM 0 HB3 PHE A 120 90.219 0.326 3.956 1.00 1.60 H new ATOM 0 HD1 PHE A 120 92.463 1.906 3.225 1.00 1.32 H new ATOM 0 HD2 PHE A 120 91.203 0.793 7.139 1.00 2.46 H new ATOM 0 HE1 PHE A 120 94.767 2.154 4.036 1.00 1.56 H new ATOM 0 HE2 PHE A 120 93.507 1.041 7.954 1.00 2.70 H new ATOM 0 HZ PHE A 120 95.295 1.720 6.401 1.00 2.25 H new ATOM 215 N VAL A 121 88.153 2.572 2.066 1.00 1.28 N ATOM 216 CA VAL A 121 86.908 2.313 1.354 1.00 1.47 C ATOM 217 C VAL A 121 87.081 1.162 0.369 1.00 1.73 C ATOM 218 O VAL A 121 87.767 1.299 -0.644 1.00 2.05 O ATOM 219 CB VAL A 121 86.417 3.556 0.588 1.00 2.05 C ATOM 220 CG1 VAL A 121 84.952 3.403 0.208 1.00 2.26 C ATOM 221 CG2 VAL A 121 86.632 4.819 1.410 1.00 2.59 C ATOM 0 H VAL A 121 88.818 3.155 1.557 1.00 1.28 H new ATOM 0 HA VAL A 121 86.163 2.049 2.105 1.00 1.47 H new ATOM 0 HB VAL A 121 87.002 3.646 -0.327 1.00 2.05 H new ATOM 0 HG11 VAL A 121 84.622 4.290 -0.332 1.00 2.26 H new ATOM 0 HG12 VAL A 121 84.831 2.525 -0.427 1.00 2.26 H new ATOM 0 HG13 VAL A 121 84.353 3.284 1.111 1.00 2.26 H new ATOM 0 HG21 VAL A 121 86.278 5.683 0.848 1.00 2.59 H new ATOM 0 HG22 VAL A 121 86.079 4.743 2.346 1.00 2.59 H new ATOM 0 HG23 VAL A 121 87.694 4.937 1.625 1.00 2.59 H new ATOM 231 N GLU A 122 86.460 0.027 0.676 1.00 1.96 N ATOM 232 CA GLU A 122 86.544 -1.157 -0.176 1.00 2.61 C ATOM 233 C GLU A 122 86.353 -0.796 -1.648 1.00 3.15 C ATOM 234 O GLU A 122 85.510 0.032 -1.992 1.00 3.31 O ATOM 235 CB GLU A 122 85.496 -2.188 0.246 1.00 3.09 C ATOM 236 CG GLU A 122 85.685 -2.703 1.664 1.00 3.41 C ATOM 237 CD GLU A 122 84.370 -3.056 2.335 1.00 3.75 C ATOM 238 OE1 GLU A 122 83.413 -2.263 2.217 1.00 4.17 O ATOM 239 OE2 GLU A 122 84.301 -4.125 2.978 1.00 4.00 O ATOM 0 H GLU A 122 85.890 -0.099 1.513 1.00 1.96 H new ATOM 0 HA GLU A 122 87.539 -1.584 -0.056 1.00 2.61 H new ATOM 0 HB2 GLU A 122 84.505 -1.743 0.159 1.00 3.09 H new ATOM 0 HB3 GLU A 122 85.528 -3.030 -0.445 1.00 3.09 H new ATOM 0 HG2 GLU A 122 86.327 -3.584 1.645 1.00 3.41 H new ATOM 0 HG3 GLU A 122 86.200 -1.946 2.256 1.00 3.41 H new ATOM 246 N LEU A 123 87.145 -1.424 -2.510 1.00 3.56 N ATOM 247 CA LEU A 123 87.071 -1.171 -3.943 1.00 4.25 C ATOM 248 C LEU A 123 86.065 -2.108 -4.606 1.00 4.92 C ATOM 249 O LEU A 123 86.335 -3.294 -4.793 1.00 5.12 O ATOM 250 CB LEU A 123 88.455 -1.344 -4.577 1.00 4.48 C ATOM 251 CG LEU A 123 88.467 -1.467 -6.102 1.00 4.92 C ATOM 252 CD1 LEU A 123 87.993 -0.173 -6.746 1.00 5.51 C ATOM 253 CD2 LEU A 123 89.860 -1.833 -6.596 1.00 5.24 C ATOM 0 H LEU A 123 87.847 -2.113 -2.240 1.00 3.56 H new ATOM 0 HA LEU A 123 86.735 -0.146 -4.097 1.00 4.25 H new ATOM 0 HB2 LEU A 123 89.075 -0.494 -4.293 1.00 4.48 H new ATOM 0 HB3 LEU A 123 88.921 -2.234 -4.154 1.00 4.48 H new ATOM 0 HG LEU A 123 87.780 -2.263 -6.389 1.00 4.92 H new ATOM 0 HD11 LEU A 123 88.008 -0.279 -7.831 1.00 5.51 H new ATOM 0 HD12 LEU A 123 86.977 0.046 -6.417 1.00 5.51 H new ATOM 0 HD13 LEU A 123 88.653 0.643 -6.452 1.00 5.51 H new ATOM 0 HD21 LEU A 123 89.850 -1.916 -7.683 1.00 5.24 H new ATOM 0 HD22 LEU A 123 90.567 -1.059 -6.298 1.00 5.24 H new ATOM 0 HD23 LEU A 123 90.161 -2.786 -6.162 1.00 5.24 H new ATOM 265 N ALA A 124 84.906 -1.565 -4.963 1.00 5.38 N ATOM 266 CA ALA A 124 83.862 -2.351 -5.610 1.00 6.08 C ATOM 267 C ALA A 124 84.343 -2.894 -6.950 1.00 6.69 C ATOM 268 O ALA A 124 84.542 -2.138 -7.901 1.00 7.13 O ATOM 269 CB ALA A 124 82.607 -1.511 -5.796 1.00 6.38 C ATOM 0 H ALA A 124 84.666 -0.585 -4.815 1.00 5.38 H new ATOM 0 HA ALA A 124 83.624 -3.198 -4.967 1.00 6.08 H new ATOM 0 HB1 ALA A 124 81.836 -2.111 -6.280 1.00 6.38 H new ATOM 0 HB2 ALA A 124 82.247 -1.174 -4.824 1.00 6.38 H new ATOM 0 HB3 ALA A 124 82.837 -0.646 -6.418 1.00 6.38 H new ATOM 275 N LEU A 125 84.530 -4.207 -7.019 1.00 6.81 N ATOM 276 CA LEU A 125 84.992 -4.851 -8.243 1.00 7.42 C ATOM 277 C LEU A 125 83.984 -4.667 -9.372 1.00 8.16 C ATOM 278 O LEU A 125 83.175 -5.553 -9.646 1.00 8.46 O ATOM 279 CB LEU A 125 85.240 -6.341 -8.000 1.00 7.36 C ATOM 280 CG LEU A 125 86.606 -6.679 -7.394 1.00 6.97 C ATOM 281 CD1 LEU A 125 86.442 -7.302 -6.014 1.00 6.96 C ATOM 282 CD2 LEU A 125 87.383 -7.610 -8.312 1.00 7.07 C ATOM 0 H LEU A 125 84.369 -4.847 -6.241 1.00 6.81 H new ATOM 0 HA LEU A 125 85.929 -4.378 -8.539 1.00 7.42 H new ATOM 0 HB2 LEU A 125 84.462 -6.720 -7.338 1.00 7.36 H new ATOM 0 HB3 LEU A 125 85.139 -6.870 -8.947 1.00 7.36 H new ATOM 0 HG LEU A 125 87.171 -5.753 -7.286 1.00 6.97 H new ATOM 0 HD11 LEU A 125 87.423 -7.535 -5.601 1.00 6.96 H new ATOM 0 HD12 LEU A 125 85.929 -6.600 -5.357 1.00 6.96 H new ATOM 0 HD13 LEU A 125 85.856 -8.218 -6.095 1.00 6.96 H new ATOM 0 HD21 LEU A 125 88.350 -7.838 -7.864 1.00 7.07 H new ATOM 0 HD22 LEU A 125 86.821 -8.533 -8.454 1.00 7.07 H new ATOM 0 HD23 LEU A 125 87.535 -7.126 -9.277 1.00 7.07 H new ATOM 294 N ARG A 126 84.042 -3.512 -10.028 1.00 8.60 N ATOM 295 CA ARG A 126 83.137 -3.212 -11.132 1.00 9.37 C ATOM 296 C ARG A 126 83.858 -3.343 -12.467 1.00 9.91 C ATOM 297 O ARG A 126 83.379 -4.015 -13.380 1.00 10.39 O ATOM 298 CB ARG A 126 82.566 -1.800 -10.983 1.00 9.55 C ATOM 299 CG ARG A 126 81.505 -1.684 -9.899 1.00 9.90 C ATOM 300 CD ARG A 126 81.850 -0.599 -8.891 1.00 10.24 C ATOM 301 NE ARG A 126 81.795 0.735 -9.484 1.00 10.60 N ATOM 302 CZ ARG A 126 82.379 1.807 -8.954 1.00 11.07 C ATOM 303 NH1 ARG A 126 83.064 1.707 -7.821 1.00 11.25 N ATOM 304 NH2 ARG A 126 82.279 2.983 -9.559 1.00 11.57 N ATOM 0 H ARG A 126 84.707 -2.768 -9.814 1.00 8.60 H new ATOM 0 HA ARG A 126 82.317 -3.930 -11.106 1.00 9.37 H new ATOM 0 HB2 ARG A 126 83.379 -1.110 -10.759 1.00 9.55 H new ATOM 0 HB3 ARG A 126 82.137 -1.488 -11.935 1.00 9.55 H new ATOM 0 HG2 ARG A 126 80.540 -1.463 -10.356 1.00 9.90 H new ATOM 0 HG3 ARG A 126 81.403 -2.640 -9.385 1.00 9.90 H new ATOM 0 HD2 ARG A 126 81.158 -0.651 -8.051 1.00 10.24 H new ATOM 0 HD3 ARG A 126 82.849 -0.778 -8.493 1.00 10.24 H new ATOM 0 HE ARG A 126 81.278 0.852 -10.356 1.00 10.60 H new ATOM 0 HH11 ARG A 126 83.145 0.805 -7.352 1.00 11.25 H new ATOM 0 HH12 ARG A 126 83.509 2.532 -7.420 1.00 11.25 H new ATOM 0 HH21 ARG A 126 81.755 3.065 -10.430 1.00 11.57 H new ATOM 0 HH22 ARG A 126 82.726 3.805 -9.153 1.00 11.57 H new ATOM 318 N GLY A 127 85.017 -2.700 -12.573 1.00 9.94 N ATOM 319 CA GLY A 127 85.789 -2.761 -13.799 1.00 10.50 C ATOM 320 C GLY A 127 86.455 -4.109 -13.992 1.00 10.13 C ATOM 321 O GLY A 127 86.565 -4.599 -15.116 1.00 10.47 O ATOM 0 H GLY A 127 85.435 -2.138 -11.831 1.00 9.94 H new ATOM 0 HA2 GLY A 127 85.136 -2.556 -14.648 1.00 10.50 H new ATOM 0 HA3 GLY A 127 86.550 -1.981 -13.786 1.00 10.50 H new ATOM 325 N GLY A 128 86.895 -4.712 -12.893 1.00 9.48 N ATOM 326 CA GLY A 128 87.543 -6.008 -12.967 1.00 9.18 C ATOM 327 C GLY A 128 88.714 -6.131 -12.006 1.00 8.58 C ATOM 328 O GLY A 128 88.520 -6.411 -10.824 1.00 8.03 O ATOM 0 H GLY A 128 86.814 -4.326 -11.952 1.00 9.48 H new ATOM 0 HA2 GLY A 128 86.814 -6.788 -12.747 1.00 9.18 H new ATOM 0 HA3 GLY A 128 87.894 -6.177 -13.985 1.00 9.18 H new ATOM 332 N PRO A 129 89.953 -5.934 -12.491 1.00 8.71 N ATOM 333 CA PRO A 129 91.154 -6.036 -11.657 1.00 8.20 C ATOM 334 C PRO A 129 91.368 -4.809 -10.779 1.00 7.43 C ATOM 335 O PRO A 129 90.690 -3.793 -10.931 1.00 7.36 O ATOM 336 CB PRO A 129 92.279 -6.145 -12.685 1.00 8.64 C ATOM 337 CG PRO A 129 91.774 -5.405 -13.874 1.00 9.37 C ATOM 338 CD PRO A 129 90.281 -5.604 -13.893 1.00 9.42 C ATOM 0 HA PRO A 129 91.094 -6.874 -10.963 1.00 8.20 H new ATOM 0 HB2 PRO A 129 93.204 -5.707 -12.309 1.00 8.64 H new ATOM 0 HB3 PRO A 129 92.495 -7.185 -12.928 1.00 8.64 H new ATOM 0 HG2 PRO A 129 92.024 -4.346 -13.808 1.00 9.37 H new ATOM 0 HG3 PRO A 129 92.228 -5.784 -14.790 1.00 9.37 H new ATOM 0 HD2 PRO A 129 89.762 -4.705 -14.225 1.00 9.42 H new ATOM 0 HD3 PRO A 129 89.993 -6.407 -14.571 1.00 9.42 H new ATOM 346 N GLY A 130 92.336 -4.908 -9.873 1.00 6.90 N ATOM 347 CA GLY A 130 92.658 -3.810 -8.993 1.00 6.16 C ATOM 348 C GLY A 130 94.155 -3.654 -8.878 1.00 5.90 C ATOM 349 O GLY A 130 94.878 -4.647 -8.829 1.00 6.04 O ATOM 0 H GLY A 130 92.907 -5.742 -9.736 1.00 6.90 H new ATOM 0 HA2 GLY A 130 92.217 -2.888 -9.374 1.00 6.16 H new ATOM 0 HA3 GLY A 130 92.227 -3.986 -8.007 1.00 6.16 H new ATOM 353 N TRP A 131 94.635 -2.424 -8.870 1.00 5.60 N ATOM 354 CA TRP A 131 96.067 -2.185 -8.797 1.00 5.39 C ATOM 355 C TRP A 131 96.458 -1.496 -7.495 1.00 4.56 C ATOM 356 O TRP A 131 96.033 -0.375 -7.214 1.00 4.36 O ATOM 357 CB TRP A 131 96.511 -1.364 -10.003 1.00 5.91 C ATOM 358 CG TRP A 131 96.519 -2.158 -11.275 1.00 6.68 C ATOM 359 CD1 TRP A 131 95.512 -2.947 -11.752 1.00 7.16 C ATOM 360 CD2 TRP A 131 97.582 -2.244 -12.231 1.00 7.11 C ATOM 361 NE1 TRP A 131 95.883 -3.520 -12.943 1.00 7.84 N ATOM 362 CE2 TRP A 131 97.151 -3.103 -13.259 1.00 7.82 C ATOM 363 CE3 TRP A 131 98.858 -1.678 -12.316 1.00 7.01 C ATOM 364 CZ2 TRP A 131 97.948 -3.408 -14.361 1.00 8.39 C ATOM 365 CZ3 TRP A 131 99.650 -1.982 -13.409 1.00 7.59 C ATOM 366 CH2 TRP A 131 99.192 -2.839 -14.418 1.00 8.26 C ATOM 0 H TRP A 131 94.062 -1.581 -8.913 1.00 5.60 H new ATOM 0 HA TRP A 131 96.577 -3.148 -8.812 1.00 5.39 H new ATOM 0 HB2 TRP A 131 95.846 -0.508 -10.119 1.00 5.91 H new ATOM 0 HB3 TRP A 131 97.510 -0.969 -9.820 1.00 5.91 H new ATOM 0 HD1 TRP A 131 94.561 -3.098 -11.263 1.00 7.16 H new ATOM 0 HE1 TRP A 131 95.310 -4.152 -13.502 1.00 7.84 H new ATOM 0 HE3 TRP A 131 99.219 -1.016 -11.543 1.00 7.01 H new ATOM 0 HZ2 TRP A 131 97.598 -4.068 -15.141 1.00 8.39 H new ATOM 0 HZ3 TRP A 131 100.638 -1.552 -13.486 1.00 7.59 H new ATOM 0 HH2 TRP A 131 99.834 -3.056 -15.259 1.00 8.26 H new ATOM 377 N CYS A 132 97.272 -2.187 -6.703 1.00 4.17 N ATOM 378 CA CYS A 132 97.736 -1.668 -5.424 1.00 3.38 C ATOM 379 C CYS A 132 98.552 -0.394 -5.616 1.00 3.29 C ATOM 380 O CYS A 132 99.771 -0.443 -5.782 1.00 3.32 O ATOM 381 CB CYS A 132 98.573 -2.729 -4.707 1.00 3.20 C ATOM 382 SG CYS A 132 99.235 -2.200 -3.098 1.00 2.31 S ATOM 0 H CYS A 132 97.626 -3.117 -6.929 1.00 4.17 H new ATOM 0 HA CYS A 132 96.866 -1.424 -4.814 1.00 3.38 H new ATOM 0 HB2 CYS A 132 97.961 -3.619 -4.560 1.00 3.20 H new ATOM 0 HB3 CYS A 132 99.404 -3.016 -5.352 1.00 3.20 H new ATOM 387 N ASP A 133 97.867 0.746 -5.590 1.00 3.33 N ATOM 388 CA ASP A 133 98.516 2.046 -5.764 1.00 3.56 C ATOM 389 C ASP A 133 99.790 2.147 -4.929 1.00 3.14 C ATOM 390 O ASP A 133 100.774 2.756 -5.349 1.00 3.53 O ATOM 391 CB ASP A 133 97.554 3.170 -5.380 1.00 3.65 C ATOM 392 CG ASP A 133 96.238 3.084 -6.129 1.00 4.03 C ATOM 393 OD1 ASP A 133 96.258 3.152 -7.376 1.00 4.63 O ATOM 394 OD2 ASP A 133 95.186 2.950 -5.467 1.00 3.89 O ATOM 0 H ASP A 133 96.858 0.798 -5.450 1.00 3.33 H new ATOM 0 HA ASP A 133 98.789 2.145 -6.815 1.00 3.56 H new ATOM 0 HB2 ASP A 133 97.362 3.130 -4.308 1.00 3.65 H new ATOM 0 HB3 ASP A 133 98.023 4.132 -5.584 1.00 3.65 H new ATOM 399 N LEU A 134 99.762 1.542 -3.748 1.00 2.45 N ATOM 400 CA LEU A 134 100.912 1.554 -2.852 1.00 2.10 C ATOM 401 C LEU A 134 102.131 0.932 -3.532 1.00 2.27 C ATOM 402 O LEU A 134 103.188 1.552 -3.625 1.00 2.50 O ATOM 403 CB LEU A 134 100.560 0.807 -1.555 1.00 1.47 C ATOM 404 CG LEU A 134 101.720 0.123 -0.824 1.00 1.30 C ATOM 405 CD1 LEU A 134 102.297 1.041 0.242 1.00 1.61 C ATOM 406 CD2 LEU A 134 101.251 -1.183 -0.206 1.00 1.35 C ATOM 0 H LEU A 134 98.953 1.036 -3.388 1.00 2.45 H new ATOM 0 HA LEU A 134 101.164 2.585 -2.605 1.00 2.10 H new ATOM 0 HB2 LEU A 134 100.094 1.515 -0.869 1.00 1.47 H new ATOM 0 HB3 LEU A 134 99.811 0.051 -1.789 1.00 1.47 H new ATOM 0 HG LEU A 134 102.506 -0.095 -1.547 1.00 1.30 H new ATOM 0 HD11 LEU A 134 103.119 0.537 0.750 1.00 1.61 H new ATOM 0 HD12 LEU A 134 102.664 1.955 -0.225 1.00 1.61 H new ATOM 0 HD13 LEU A 134 101.521 1.290 0.966 1.00 1.61 H new ATOM 0 HD21 LEU A 134 102.083 -1.661 0.311 1.00 1.35 H new ATOM 0 HD22 LEU A 134 100.450 -0.982 0.505 1.00 1.35 H new ATOM 0 HD23 LEU A 134 100.883 -1.845 -0.990 1.00 1.35 H new ATOM 418 N CYS A 135 101.970 -0.300 -4.002 1.00 2.35 N ATOM 419 CA CYS A 135 103.051 -1.016 -4.671 1.00 2.66 C ATOM 420 C CYS A 135 102.977 -0.824 -6.184 1.00 3.37 C ATOM 421 O CYS A 135 103.840 -0.181 -6.780 1.00 3.63 O ATOM 422 CB CYS A 135 102.996 -2.510 -4.335 1.00 2.75 C ATOM 423 SG CYS A 135 102.498 -2.881 -2.621 1.00 2.27 S ATOM 0 H CYS A 135 101.099 -0.825 -3.932 1.00 2.35 H new ATOM 0 HA CYS A 135 103.995 -0.606 -4.313 1.00 2.66 H new ATOM 0 HB2 CYS A 135 102.299 -2.997 -5.016 1.00 2.75 H new ATOM 0 HB3 CYS A 135 103.978 -2.947 -4.517 1.00 2.75 H new ATOM 428 N GLY A 136 101.940 -1.388 -6.796 1.00 3.77 N ATOM 429 CA GLY A 136 101.772 -1.271 -8.233 1.00 4.51 C ATOM 430 C GLY A 136 101.362 -2.578 -8.886 1.00 5.01 C ATOM 431 O GLY A 136 100.988 -2.602 -10.058 1.00 5.65 O ATOM 0 H GLY A 136 101.213 -1.924 -6.322 1.00 3.77 H new ATOM 0 HA2 GLY A 136 101.019 -0.512 -8.445 1.00 4.51 H new ATOM 0 HA3 GLY A 136 102.706 -0.926 -8.676 1.00 4.51 H new ATOM 435 N ARG A 137 101.434 -3.672 -8.129 1.00 4.84 N ATOM 436 CA ARG A 137 101.067 -4.985 -8.647 1.00 5.43 C ATOM 437 C ARG A 137 99.552 -5.129 -8.745 1.00 5.63 C ATOM 438 O ARG A 137 98.811 -4.169 -8.533 1.00 5.30 O ATOM 439 CB ARG A 137 101.638 -6.088 -7.755 1.00 5.35 C ATOM 440 CG ARG A 137 103.139 -5.976 -7.532 1.00 5.18 C ATOM 441 CD ARG A 137 103.461 -5.499 -6.124 1.00 5.55 C ATOM 442 NE ARG A 137 103.309 -6.565 -5.137 1.00 5.46 N ATOM 443 CZ ARG A 137 104.216 -7.514 -4.924 1.00 5.99 C ATOM 444 NH1 ARG A 137 105.341 -7.535 -5.628 1.00 6.61 N ATOM 445 NH2 ARG A 137 103.998 -8.445 -4.005 1.00 6.15 N ATOM 0 H ARG A 137 101.743 -3.673 -7.157 1.00 4.84 H new ATOM 0 HA ARG A 137 101.489 -5.082 -9.647 1.00 5.43 H new ATOM 0 HB2 ARG A 137 101.133 -6.061 -6.790 1.00 5.35 H new ATOM 0 HB3 ARG A 137 101.417 -7.057 -8.203 1.00 5.35 H new ATOM 0 HG2 ARG A 137 103.607 -6.945 -7.704 1.00 5.18 H new ATOM 0 HG3 ARG A 137 103.565 -5.283 -8.258 1.00 5.18 H new ATOM 0 HD2 ARG A 137 104.483 -5.120 -6.094 1.00 5.55 H new ATOM 0 HD3 ARG A 137 102.805 -4.668 -5.864 1.00 5.55 H new ATOM 0 HE ARG A 137 102.456 -6.583 -4.578 1.00 5.46 H new ATOM 0 HH11 ARG A 137 105.513 -6.821 -6.336 1.00 6.61 H new ATOM 0 HH12 ARG A 137 106.034 -8.265 -5.461 1.00 6.61 H new ATOM 0 HH21 ARG A 137 103.135 -8.433 -3.462 1.00 6.15 H new ATOM 0 HH22 ARG A 137 104.694 -9.173 -3.842 1.00 6.15 H new ATOM 459 N GLU A 138 99.097 -6.336 -9.070 1.00 6.20 N ATOM 460 CA GLU A 138 97.669 -6.607 -9.196 1.00 6.47 C ATOM 461 C GLU A 138 97.084 -7.082 -7.870 1.00 6.14 C ATOM 462 O GLU A 138 97.627 -7.980 -7.227 1.00 6.19 O ATOM 463 CB GLU A 138 97.424 -7.656 -10.282 1.00 7.34 C ATOM 464 CG GLU A 138 98.099 -8.990 -10.003 1.00 8.03 C ATOM 465 CD GLU A 138 97.120 -10.061 -9.568 1.00 8.64 C ATOM 466 OE1 GLU A 138 96.804 -10.123 -8.361 1.00 9.02 O ATOM 467 OE2 GLU A 138 96.668 -10.840 -10.434 1.00 8.93 O ATOM 0 H GLU A 138 99.697 -7.141 -9.251 1.00 6.20 H new ATOM 0 HA GLU A 138 97.171 -5.679 -9.477 1.00 6.47 H new ATOM 0 HB2 GLU A 138 96.351 -7.816 -10.385 1.00 7.34 H new ATOM 0 HB3 GLU A 138 97.782 -7.270 -11.236 1.00 7.34 H new ATOM 0 HG2 GLU A 138 98.621 -9.323 -10.900 1.00 8.03 H new ATOM 0 HG3 GLU A 138 98.853 -8.856 -9.227 1.00 8.03 H new ATOM 474 N VAL A 139 95.973 -6.473 -7.468 1.00 5.87 N ATOM 475 CA VAL A 139 95.312 -6.831 -6.221 1.00 5.60 C ATOM 476 C VAL A 139 94.190 -7.839 -6.460 1.00 6.26 C ATOM 477 O VAL A 139 93.315 -7.625 -7.297 1.00 6.56 O ATOM 478 CB VAL A 139 94.747 -5.582 -5.507 1.00 4.89 C ATOM 479 CG1 VAL A 139 95.814 -4.501 -5.398 1.00 4.29 C ATOM 480 CG2 VAL A 139 93.514 -5.051 -6.228 1.00 5.14 C ATOM 0 H VAL A 139 95.512 -5.728 -7.990 1.00 5.87 H new ATOM 0 HA VAL A 139 96.064 -7.290 -5.579 1.00 5.60 H new ATOM 0 HB VAL A 139 94.447 -5.874 -4.500 1.00 4.89 H new ATOM 0 HG11 VAL A 139 95.398 -3.629 -4.893 1.00 4.29 H new ATOM 0 HG12 VAL A 139 96.661 -4.882 -4.827 1.00 4.29 H new ATOM 0 HG13 VAL A 139 96.148 -4.217 -6.396 1.00 4.29 H new ATOM 0 HG21 VAL A 139 93.137 -4.172 -5.705 1.00 5.14 H new ATOM 0 HG22 VAL A 139 93.779 -4.779 -7.250 1.00 5.14 H new ATOM 0 HG23 VAL A 139 92.743 -5.821 -6.246 1.00 5.14 H new ATOM 490 N LEU A 140 94.228 -8.942 -5.718 1.00 6.55 N ATOM 491 CA LEU A 140 93.218 -9.987 -5.851 1.00 7.22 C ATOM 492 C LEU A 140 92.049 -9.742 -4.901 1.00 6.99 C ATOM 493 O LEU A 140 90.909 -9.577 -5.335 1.00 7.24 O ATOM 494 CB LEU A 140 93.837 -11.359 -5.577 1.00 7.76 C ATOM 495 CG LEU A 140 94.082 -12.220 -6.818 1.00 8.26 C ATOM 496 CD1 LEU A 140 95.091 -13.317 -6.515 1.00 8.62 C ATOM 497 CD2 LEU A 140 92.776 -12.817 -7.317 1.00 8.78 C ATOM 0 H LEU A 140 94.946 -9.135 -5.020 1.00 6.55 H new ATOM 0 HA LEU A 140 92.839 -9.964 -6.873 1.00 7.22 H new ATOM 0 HB2 LEU A 140 94.786 -11.216 -5.060 1.00 7.76 H new ATOM 0 HB3 LEU A 140 93.183 -11.906 -4.897 1.00 7.76 H new ATOM 0 HG LEU A 140 94.492 -11.585 -7.603 1.00 8.26 H new ATOM 0 HD11 LEU A 140 95.253 -13.919 -7.409 1.00 8.62 H new ATOM 0 HD12 LEU A 140 96.034 -12.868 -6.204 1.00 8.62 H new ATOM 0 HD13 LEU A 140 94.710 -13.951 -5.714 1.00 8.62 H new ATOM 0 HD21 LEU A 140 92.968 -13.426 -8.200 1.00 8.78 H new ATOM 0 HD22 LEU A 140 92.338 -13.438 -6.536 1.00 8.78 H new ATOM 0 HD23 LEU A 140 92.084 -12.015 -7.573 1.00 8.78 H new ATOM 509 N ARG A 141 92.339 -9.724 -3.605 1.00 6.56 N ATOM 510 CA ARG A 141 91.312 -9.504 -2.595 1.00 6.36 C ATOM 511 C ARG A 141 90.755 -8.086 -2.680 1.00 5.74 C ATOM 512 O ARG A 141 91.325 -7.225 -3.349 1.00 5.48 O ATOM 513 CB ARG A 141 91.878 -9.759 -1.196 1.00 6.20 C ATOM 514 CG ARG A 141 90.825 -10.174 -0.181 1.00 6.87 C ATOM 515 CD ARG A 141 91.456 -10.778 1.062 1.00 7.11 C ATOM 516 NE ARG A 141 90.719 -11.947 1.538 1.00 7.57 N ATOM 517 CZ ARG A 141 90.797 -13.151 0.978 1.00 8.00 C ATOM 518 NH1 ARG A 141 91.579 -13.351 -0.076 1.00 8.08 N ATOM 519 NH2 ARG A 141 90.093 -14.160 1.475 1.00 8.60 N ATOM 0 H ARG A 141 93.278 -9.859 -3.229 1.00 6.56 H new ATOM 0 HA ARG A 141 90.499 -10.205 -2.784 1.00 6.36 H new ATOM 0 HB2 ARG A 141 92.639 -10.537 -1.257 1.00 6.20 H new ATOM 0 HB3 ARG A 141 92.374 -8.855 -0.843 1.00 6.20 H new ATOM 0 HG2 ARG A 141 90.226 -9.307 0.098 1.00 6.87 H new ATOM 0 HG3 ARG A 141 90.147 -10.897 -0.634 1.00 6.87 H new ATOM 0 HD2 ARG A 141 92.485 -11.063 0.844 1.00 7.11 H new ATOM 0 HD3 ARG A 141 91.493 -10.027 1.851 1.00 7.11 H new ATOM 0 HE ARG A 141 90.109 -11.833 2.347 1.00 7.57 H new ATOM 0 HH11 ARG A 141 92.124 -12.579 -0.460 1.00 8.08 H new ATOM 0 HH12 ARG A 141 91.635 -14.276 -0.501 1.00 8.08 H new ATOM 0 HH21 ARG A 141 89.492 -14.012 2.286 1.00 8.60 H new ATOM 0 HH22 ARG A 141 90.152 -15.083 1.046 1.00 8.60 H new ATOM 533 N GLN A 142 89.641 -7.853 -1.993 1.00 5.55 N ATOM 534 CA GLN A 142 89.007 -6.542 -1.987 1.00 4.97 C ATOM 535 C GLN A 142 89.950 -5.490 -1.417 1.00 4.20 C ATOM 536 O GLN A 142 90.018 -5.292 -0.204 1.00 3.88 O ATOM 537 CB GLN A 142 87.715 -6.580 -1.169 1.00 4.98 C ATOM 538 CG GLN A 142 86.533 -7.165 -1.927 1.00 5.49 C ATOM 539 CD GLN A 142 85.250 -7.137 -1.118 1.00 6.00 C ATOM 540 OE1 GLN A 142 85.241 -7.479 0.064 1.00 6.30 O ATOM 541 NE2 GLN A 142 84.158 -6.729 -1.755 1.00 6.42 N ATOM 0 H GLN A 142 89.159 -8.557 -1.433 1.00 5.55 H new ATOM 0 HA GLN A 142 88.768 -6.275 -3.017 1.00 4.97 H new ATOM 0 HB2 GLN A 142 87.883 -7.167 -0.266 1.00 4.98 H new ATOM 0 HB3 GLN A 142 87.467 -5.568 -0.850 1.00 4.98 H new ATOM 0 HG2 GLN A 142 86.387 -6.607 -2.852 1.00 5.49 H new ATOM 0 HG3 GLN A 142 86.759 -8.194 -2.207 1.00 5.49 H new ATOM 0 HE21 GLN A 142 84.212 -6.455 -2.736 1.00 6.42 H new ATOM 0 HE22 GLN A 142 83.265 -6.690 -1.263 1.00 6.42 H new ATOM 550 N ALA A 143 90.679 -4.819 -2.301 1.00 4.01 N ATOM 551 CA ALA A 143 91.623 -3.787 -1.891 1.00 3.31 C ATOM 552 C ALA A 143 90.931 -2.695 -1.082 1.00 2.66 C ATOM 553 O ALA A 143 89.745 -2.423 -1.275 1.00 2.78 O ATOM 554 CB ALA A 143 92.307 -3.192 -3.112 1.00 3.47 C ATOM 0 H ALA A 143 90.634 -4.972 -3.308 1.00 4.01 H new ATOM 0 HA ALA A 143 92.376 -4.248 -1.251 1.00 3.31 H new ATOM 0 HB1 ALA A 143 93.010 -2.422 -2.796 1.00 3.47 H new ATOM 0 HB2 ALA A 143 92.843 -3.976 -3.647 1.00 3.47 H new ATOM 0 HB3 ALA A 143 91.558 -2.751 -3.770 1.00 3.47 H new ATOM 560 N LEU A 144 91.678 -2.072 -0.176 1.00 2.03 N ATOM 561 CA LEU A 144 91.138 -1.009 0.662 1.00 1.43 C ATOM 562 C LEU A 144 91.670 0.349 0.216 1.00 1.04 C ATOM 563 O LEU A 144 92.880 0.565 0.158 1.00 0.81 O ATOM 564 CB LEU A 144 91.488 -1.263 2.126 1.00 1.45 C ATOM 565 CG LEU A 144 90.638 -2.334 2.813 1.00 2.18 C ATOM 566 CD1 LEU A 144 91.382 -2.923 4.003 1.00 2.76 C ATOM 567 CD2 LEU A 144 89.299 -1.760 3.251 1.00 2.25 C ATOM 0 H LEU A 144 92.660 -2.286 -0.004 1.00 2.03 H new ATOM 0 HA LEU A 144 90.053 -1.003 0.557 1.00 1.43 H new ATOM 0 HB2 LEU A 144 92.536 -1.556 2.189 1.00 1.45 H new ATOM 0 HB3 LEU A 144 91.384 -0.328 2.677 1.00 1.45 H new ATOM 0 HG LEU A 144 90.448 -3.132 2.095 1.00 2.18 H new ATOM 0 HD11 LEU A 144 90.763 -3.683 4.480 1.00 2.76 H new ATOM 0 HD12 LEU A 144 92.313 -3.375 3.662 1.00 2.76 H new ATOM 0 HD13 LEU A 144 91.604 -2.133 4.721 1.00 2.76 H new ATOM 0 HD21 LEU A 144 88.711 -2.538 3.737 1.00 2.25 H new ATOM 0 HD22 LEU A 144 89.466 -0.941 3.951 1.00 2.25 H new ATOM 0 HD23 LEU A 144 88.760 -1.389 2.380 1.00 2.25 H new ATOM 579 N ARG A 145 90.757 1.254 -0.122 1.00 1.33 N ATOM 580 CA ARG A 145 91.134 2.583 -0.593 1.00 1.75 C ATOM 581 C ARG A 145 90.886 3.651 0.464 1.00 1.84 C ATOM 582 O ARG A 145 89.751 4.087 0.660 1.00 2.07 O ATOM 583 CB ARG A 145 90.353 2.928 -1.862 1.00 2.50 C ATOM 584 CG ARG A 145 90.800 4.224 -2.517 1.00 3.14 C ATOM 585 CD ARG A 145 89.677 4.856 -3.326 1.00 3.82 C ATOM 586 NE ARG A 145 90.159 5.412 -4.587 1.00 4.39 N ATOM 587 CZ ARG A 145 90.865 6.537 -4.680 1.00 4.96 C ATOM 588 NH1 ARG A 145 91.170 7.230 -3.589 1.00 5.14 N ATOM 589 NH2 ARG A 145 91.267 6.971 -5.867 1.00 5.67 N ATOM 0 H ARG A 145 89.751 1.092 -0.079 1.00 1.33 H new ATOM 0 HA ARG A 145 92.203 2.564 -0.808 1.00 1.75 H new ATOM 0 HB2 ARG A 145 90.460 2.113 -2.578 1.00 2.50 H new ATOM 0 HB3 ARG A 145 89.293 3.000 -1.618 1.00 2.50 H new ATOM 0 HG2 ARG A 145 91.136 4.923 -1.751 1.00 3.14 H new ATOM 0 HG3 ARG A 145 91.653 4.029 -3.167 1.00 3.14 H new ATOM 0 HD2 ARG A 145 88.911 4.108 -3.529 1.00 3.82 H new ATOM 0 HD3 ARG A 145 89.206 5.644 -2.739 1.00 3.82 H new ATOM 0 HE ARG A 145 89.942 4.909 -5.447 1.00 4.39 H new ATOM 0 HH11 ARG A 145 90.863 6.901 -2.674 1.00 5.14 H new ATOM 0 HH12 ARG A 145 91.711 8.091 -3.666 1.00 5.14 H new ATOM 0 HH21 ARG A 145 91.035 6.443 -6.708 1.00 5.67 H new ATOM 0 HH22 ARG A 145 91.808 7.833 -5.939 1.00 5.67 H new ATOM 603 N CYS A 146 91.948 4.083 1.129 1.00 1.92 N ATOM 604 CA CYS A 146 91.830 5.114 2.150 1.00 2.46 C ATOM 605 C CYS A 146 91.792 6.493 1.498 1.00 3.20 C ATOM 606 O CYS A 146 92.795 7.205 1.465 1.00 3.63 O ATOM 607 CB CYS A 146 92.993 5.027 3.140 1.00 2.60 C ATOM 608 SG CYS A 146 93.022 6.362 4.383 1.00 3.57 S ATOM 0 H CYS A 146 92.896 3.738 0.981 1.00 1.92 H new ATOM 0 HA CYS A 146 90.901 4.956 2.698 1.00 2.46 H new ATOM 0 HB2 CYS A 146 92.945 4.068 3.655 1.00 2.60 H new ATOM 0 HB3 CYS A 146 93.930 5.044 2.584 1.00 2.60 H new ATOM 613 N ALA A 147 90.625 6.857 0.976 1.00 3.42 N ATOM 614 CA ALA A 147 90.445 8.146 0.315 1.00 4.19 C ATOM 615 C ALA A 147 90.735 9.314 1.259 1.00 4.75 C ATOM 616 O ALA A 147 90.808 10.463 0.824 1.00 5.41 O ATOM 617 CB ALA A 147 89.033 8.257 -0.240 1.00 4.35 C ATOM 0 H ALA A 147 89.787 6.276 0.998 1.00 3.42 H new ATOM 0 HA ALA A 147 91.161 8.200 -0.505 1.00 4.19 H new ATOM 0 HB1 ALA A 147 88.910 9.222 -0.731 1.00 4.35 H new ATOM 0 HB2 ALA A 147 88.862 7.458 -0.962 1.00 4.35 H new ATOM 0 HB3 ALA A 147 88.314 8.170 0.575 1.00 4.35 H new ATOM 623 N ASN A 148 90.900 9.019 2.545 1.00 4.58 N ATOM 624 CA ASN A 148 91.183 10.053 3.530 1.00 5.23 C ATOM 625 C ASN A 148 92.574 10.650 3.323 1.00 5.62 C ATOM 626 O ASN A 148 92.847 11.763 3.770 1.00 6.29 O ATOM 627 CB ASN A 148 91.060 9.486 4.946 1.00 5.11 C ATOM 628 CG ASN A 148 90.218 10.365 5.851 1.00 5.34 C ATOM 629 OD1 ASN A 148 90.213 11.588 5.718 1.00 5.63 O ATOM 630 ND2 ASN A 148 89.500 9.742 6.778 1.00 5.41 N ATOM 0 H ASN A 148 90.843 8.075 2.927 1.00 4.58 H new ATOM 0 HA ASN A 148 90.450 10.849 3.399 1.00 5.23 H new ATOM 0 HB2 ASN A 148 90.619 8.490 4.898 1.00 5.11 H new ATOM 0 HB3 ASN A 148 92.055 9.374 5.377 1.00 5.11 H new ATOM 0 HD21 ASN A 148 88.914 10.280 7.416 1.00 5.41 H new ATOM 0 HD22 ASN A 148 89.535 8.725 6.852 1.00 5.41 H new ATOM 637 N CYS A 149 93.453 9.913 2.643 1.00 5.21 N ATOM 638 CA CYS A 149 94.805 10.401 2.392 1.00 5.54 C ATOM 639 C CYS A 149 95.580 9.444 1.495 1.00 5.02 C ATOM 640 O CYS A 149 96.312 9.871 0.602 1.00 5.26 O ATOM 641 CB CYS A 149 95.550 10.590 3.716 1.00 5.86 C ATOM 642 SG CYS A 149 95.700 9.068 4.708 1.00 5.35 S ATOM 0 H CYS A 149 93.255 8.988 2.261 1.00 5.21 H new ATOM 0 HA CYS A 149 94.726 11.360 1.880 1.00 5.54 H new ATOM 0 HB2 CYS A 149 96.548 10.975 3.507 1.00 5.86 H new ATOM 0 HB3 CYS A 149 95.034 11.347 4.307 1.00 5.86 H new ATOM 647 N LYS A 150 95.421 8.150 1.742 1.00 4.33 N ATOM 648 CA LYS A 150 96.114 7.135 0.959 1.00 3.79 C ATOM 649 C LYS A 150 95.309 6.764 -0.291 1.00 3.60 C ATOM 650 O LYS A 150 94.655 7.616 -0.891 1.00 4.14 O ATOM 651 CB LYS A 150 96.390 5.897 1.821 1.00 3.18 C ATOM 652 CG LYS A 150 96.589 6.204 3.298 1.00 3.63 C ATOM 653 CD LYS A 150 97.425 5.135 3.983 1.00 3.46 C ATOM 654 CE LYS A 150 96.643 3.842 4.155 1.00 3.65 C ATOM 655 NZ LYS A 150 97.510 2.728 4.628 1.00 3.87 N ATOM 0 H LYS A 150 94.819 7.779 2.477 1.00 4.33 H new ATOM 0 HA LYS A 150 97.068 7.545 0.629 1.00 3.79 H new ATOM 0 HB2 LYS A 150 95.559 5.200 1.714 1.00 3.18 H new ATOM 0 HB3 LYS A 150 97.279 5.394 1.442 1.00 3.18 H new ATOM 0 HG2 LYS A 150 97.076 7.173 3.407 1.00 3.63 H new ATOM 0 HG3 LYS A 150 95.619 6.278 3.789 1.00 3.63 H new ATOM 0 HD2 LYS A 150 98.324 4.943 3.397 1.00 3.46 H new ATOM 0 HD3 LYS A 150 97.752 5.496 4.958 1.00 3.46 H new ATOM 0 HE2 LYS A 150 95.833 3.999 4.867 1.00 3.65 H new ATOM 0 HE3 LYS A 150 96.183 3.567 3.206 1.00 3.65 H new ATOM 0 HZ1 LYS A 150 96.916 1.955 4.989 1.00 3.87 H new ATOM 0 HZ2 LYS A 150 98.089 2.379 3.838 1.00 3.87 H new ATOM 0 HZ3 LYS A 150 98.132 3.071 5.388 1.00 3.87 H new ATOM 669 N PHE A 151 95.368 5.495 -0.686 1.00 2.95 N ATOM 670 CA PHE A 151 94.654 5.019 -1.867 1.00 2.98 C ATOM 671 C PHE A 151 94.292 3.540 -1.726 1.00 2.28 C ATOM 672 O PHE A 151 94.381 2.976 -0.634 1.00 1.66 O ATOM 673 CB PHE A 151 95.508 5.240 -3.124 1.00 3.44 C ATOM 674 CG PHE A 151 96.986 5.085 -2.889 1.00 3.26 C ATOM 675 CD1 PHE A 151 97.469 4.118 -2.023 1.00 3.47 C ATOM 676 CD2 PHE A 151 97.894 5.908 -3.539 1.00 3.36 C ATOM 677 CE1 PHE A 151 98.826 3.972 -1.808 1.00 3.41 C ATOM 678 CE2 PHE A 151 99.251 5.767 -3.329 1.00 3.26 C ATOM 679 CZ PHE A 151 99.718 4.798 -2.462 1.00 3.10 C ATOM 0 H PHE A 151 95.905 4.775 -0.203 1.00 2.95 H new ATOM 0 HA PHE A 151 93.729 5.588 -1.962 1.00 2.98 H new ATOM 0 HB2 PHE A 151 95.196 4.533 -3.893 1.00 3.44 H new ATOM 0 HB3 PHE A 151 95.314 6.240 -3.512 1.00 3.44 H new ATOM 0 HD1 PHE A 151 96.775 3.469 -1.509 1.00 3.47 H new ATOM 0 HD2 PHE A 151 97.535 6.668 -4.217 1.00 3.36 H new ATOM 0 HE1 PHE A 151 99.188 3.213 -1.130 1.00 3.41 H new ATOM 0 HE2 PHE A 151 99.947 6.414 -3.842 1.00 3.26 H new ATOM 0 HZ PHE A 151 100.779 4.687 -2.296 1.00 3.10 H new ATOM 689 N THR A 152 93.880 2.916 -2.830 1.00 2.56 N ATOM 690 CA THR A 152 93.505 1.504 -2.813 1.00 2.30 C ATOM 691 C THR A 152 94.734 0.608 -2.726 1.00 2.04 C ATOM 692 O THR A 152 95.408 0.356 -3.726 1.00 2.50 O ATOM 693 CB THR A 152 92.698 1.158 -4.066 1.00 3.04 C ATOM 694 OG1 THR A 152 92.046 2.309 -4.576 1.00 3.69 O ATOM 695 CG2 THR A 152 91.643 0.101 -3.826 1.00 3.48 C ATOM 0 H THR A 152 93.798 3.364 -3.742 1.00 2.56 H new ATOM 0 HA THR A 152 92.892 1.330 -1.929 1.00 2.30 H new ATOM 0 HB THR A 152 93.424 0.767 -4.778 1.00 3.04 H new ATOM 0 HG1 THR A 152 91.537 2.068 -5.378 1.00 3.69 H new ATOM 0 HG21 THR A 152 91.108 -0.097 -4.755 1.00 3.48 H new ATOM 0 HG22 THR A 152 92.119 -0.816 -3.479 1.00 3.48 H new ATOM 0 HG23 THR A 152 90.940 0.453 -3.071 1.00 3.48 H new ATOM 703 N CYS A 153 95.028 0.136 -1.518 1.00 1.38 N ATOM 704 CA CYS A 153 96.183 -0.725 -1.288 1.00 1.29 C ATOM 705 C CYS A 153 95.765 -2.186 -1.155 1.00 1.85 C ATOM 706 O CYS A 153 94.579 -2.495 -1.043 1.00 2.08 O ATOM 707 CB CYS A 153 96.915 -0.284 -0.020 1.00 0.64 C ATOM 708 SG CYS A 153 95.945 -0.466 1.496 1.00 1.36 S ATOM 0 H CYS A 153 94.480 0.336 -0.681 1.00 1.38 H new ATOM 0 HA CYS A 153 96.848 -0.635 -2.147 1.00 1.29 H new ATOM 0 HB2 CYS A 153 97.833 -0.864 0.077 1.00 0.64 H new ATOM 0 HB3 CYS A 153 97.208 0.760 -0.128 1.00 0.64 H new ATOM 0 HG CYS A 153 94.711 -0.129 1.265 1.00 1.36 H new ATOM 714 N HIS A 154 96.750 -3.079 -1.150 1.00 2.20 N ATOM 715 CA HIS A 154 96.489 -4.506 -1.008 1.00 2.94 C ATOM 716 C HIS A 154 95.910 -4.793 0.373 1.00 3.04 C ATOM 717 O HIS A 154 96.225 -4.105 1.343 1.00 2.70 O ATOM 718 CB HIS A 154 97.779 -5.309 -1.204 1.00 3.32 C ATOM 719 CG HIS A 154 98.082 -5.654 -2.629 1.00 3.70 C ATOM 720 ND1 HIS A 154 99.234 -5.220 -3.236 1.00 3.54 N ATOM 721 CD2 HIS A 154 97.372 -6.402 -3.507 1.00 4.36 C ATOM 722 CE1 HIS A 154 99.205 -5.712 -4.461 1.00 4.13 C ATOM 723 NE2 HIS A 154 98.096 -6.437 -4.673 1.00 4.64 N ATOM 0 H HIS A 154 97.737 -2.839 -1.243 1.00 2.20 H new ATOM 0 HA HIS A 154 95.770 -4.805 -1.771 1.00 2.94 H new ATOM 0 HB2 HIS A 154 98.613 -4.739 -0.796 1.00 3.32 H new ATOM 0 HB3 HIS A 154 97.710 -6.231 -0.626 1.00 3.32 H new ATOM 0 HD2 HIS A 154 96.420 -6.879 -3.325 1.00 4.36 H new ATOM 0 HE1 HIS A 154 99.977 -5.551 -5.199 1.00 4.13 H new ATOM 0 HE2 HIS A 154 97.840 -6.921 -5.534 1.00 4.64 H new ATOM 731 N SER A 155 95.056 -5.808 0.458 1.00 3.67 N ATOM 732 CA SER A 155 94.429 -6.179 1.723 1.00 3.98 C ATOM 733 C SER A 155 95.450 -6.251 2.860 1.00 4.20 C ATOM 734 O SER A 155 95.466 -5.399 3.750 1.00 4.08 O ATOM 735 CB SER A 155 93.714 -7.523 1.584 1.00 4.76 C ATOM 736 OG SER A 155 94.468 -8.421 0.787 1.00 5.02 O ATOM 0 H SER A 155 94.782 -6.389 -0.334 1.00 3.67 H new ATOM 0 HA SER A 155 93.703 -5.404 1.970 1.00 3.98 H new ATOM 0 HB2 SER A 155 93.552 -7.956 2.571 1.00 4.76 H new ATOM 0 HB3 SER A 155 92.732 -7.372 1.137 1.00 4.76 H new ATOM 0 HG SER A 155 93.991 -9.274 0.714 1.00 5.02 H new ATOM 742 N GLU A 156 96.289 -7.280 2.828 1.00 4.69 N ATOM 743 CA GLU A 156 97.305 -7.479 3.860 1.00 5.06 C ATOM 744 C GLU A 156 98.308 -6.326 3.911 1.00 4.46 C ATOM 745 O GLU A 156 99.041 -6.182 4.889 1.00 4.76 O ATOM 746 CB GLU A 156 98.044 -8.796 3.620 1.00 5.69 C ATOM 747 CG GLU A 156 97.140 -10.017 3.653 1.00 6.28 C ATOM 748 CD GLU A 156 97.424 -10.984 2.520 1.00 6.92 C ATOM 749 OE1 GLU A 156 97.502 -10.532 1.359 1.00 7.31 O ATOM 750 OE2 GLU A 156 97.570 -12.194 2.795 1.00 7.29 O ATOM 0 H GLU A 156 96.287 -7.992 2.098 1.00 4.69 H new ATOM 0 HA GLU A 156 96.791 -7.512 4.820 1.00 5.06 H new ATOM 0 HB2 GLU A 156 98.544 -8.751 2.653 1.00 5.69 H new ATOM 0 HB3 GLU A 156 98.821 -8.909 4.376 1.00 5.69 H new ATOM 0 HG2 GLU A 156 97.266 -10.532 4.605 1.00 6.28 H new ATOM 0 HG3 GLU A 156 96.100 -9.696 3.599 1.00 6.28 H new ATOM 757 N CYS A 157 98.348 -5.512 2.860 1.00 3.72 N ATOM 758 CA CYS A 157 99.279 -4.387 2.812 1.00 3.15 C ATOM 759 C CYS A 157 98.890 -3.302 3.811 1.00 3.01 C ATOM 760 O CYS A 157 99.754 -2.656 4.402 1.00 3.02 O ATOM 761 CB CYS A 157 99.335 -3.796 1.402 1.00 2.51 C ATOM 762 SG CYS A 157 100.822 -4.268 0.457 1.00 2.62 S ATOM 0 H CYS A 157 97.753 -5.608 2.037 1.00 3.72 H new ATOM 0 HA CYS A 157 100.265 -4.765 3.082 1.00 3.15 H new ATOM 0 HB2 CYS A 157 98.450 -4.115 0.850 1.00 2.51 H new ATOM 0 HB3 CYS A 157 99.292 -2.709 1.473 1.00 2.51 H new ATOM 767 N ARG A 158 97.587 -3.100 3.992 1.00 3.04 N ATOM 768 CA ARG A 158 97.097 -2.082 4.919 1.00 3.06 C ATOM 769 C ARG A 158 97.805 -2.178 6.270 1.00 3.76 C ATOM 770 O ARG A 158 98.174 -1.162 6.862 1.00 3.88 O ATOM 771 CB ARG A 158 95.580 -2.206 5.100 1.00 3.18 C ATOM 772 CG ARG A 158 95.147 -3.427 5.897 1.00 3.57 C ATOM 773 CD ARG A 158 95.019 -3.109 7.379 1.00 4.14 C ATOM 774 NE ARG A 158 95.279 -4.277 8.216 1.00 4.64 N ATOM 775 CZ ARG A 158 94.461 -5.323 8.305 1.00 5.27 C ATOM 776 NH1 ARG A 158 93.331 -5.351 7.609 1.00 5.53 N ATOM 777 NH2 ARG A 158 94.772 -6.342 9.095 1.00 5.95 N ATOM 0 H ARG A 158 96.855 -3.624 3.512 1.00 3.04 H new ATOM 0 HA ARG A 158 97.319 -1.104 4.491 1.00 3.06 H new ATOM 0 HB2 ARG A 158 95.210 -1.310 5.599 1.00 3.18 H new ATOM 0 HB3 ARG A 158 95.109 -2.241 4.117 1.00 3.18 H new ATOM 0 HG2 ARG A 158 94.192 -3.790 5.518 1.00 3.57 H new ATOM 0 HG3 ARG A 158 95.871 -4.230 5.757 1.00 3.57 H new ATOM 0 HD2 ARG A 158 95.717 -2.314 7.640 1.00 4.14 H new ATOM 0 HD3 ARG A 158 94.017 -2.733 7.583 1.00 4.14 H new ATOM 0 HE ARG A 158 96.139 -4.292 8.765 1.00 4.64 H new ATOM 0 HH11 ARG A 158 93.086 -4.568 7.002 1.00 5.53 H new ATOM 0 HH12 ARG A 158 92.708 -6.155 7.681 1.00 5.53 H new ATOM 0 HH21 ARG A 158 95.638 -6.324 9.634 1.00 5.95 H new ATOM 0 HH22 ARG A 158 94.145 -7.144 9.164 1.00 5.95 H new ATOM 791 N SER A 159 98.002 -3.402 6.746 1.00 4.35 N ATOM 792 CA SER A 159 98.674 -3.626 8.021 1.00 5.07 C ATOM 793 C SER A 159 100.166 -3.335 7.910 1.00 5.04 C ATOM 794 O SER A 159 100.823 -3.020 8.904 1.00 5.56 O ATOM 795 CB SER A 159 98.457 -5.067 8.488 1.00 5.71 C ATOM 796 OG SER A 159 98.321 -5.133 9.897 1.00 6.02 O ATOM 0 H SER A 159 97.706 -4.254 6.269 1.00 4.35 H new ATOM 0 HA SER A 159 98.244 -2.944 8.754 1.00 5.07 H new ATOM 0 HB2 SER A 159 97.564 -5.475 8.014 1.00 5.71 H new ATOM 0 HB3 SER A 159 99.297 -5.685 8.172 1.00 5.71 H new ATOM 0 HG SER A 159 98.182 -6.064 10.169 1.00 6.02 H new ATOM 802 N LEU A 160 100.700 -3.444 6.697 1.00 4.50 N ATOM 803 CA LEU A 160 102.117 -3.194 6.460 1.00 4.49 C ATOM 804 C LEU A 160 102.387 -1.717 6.172 1.00 4.25 C ATOM 805 O LEU A 160 103.533 -1.323 5.956 1.00 4.39 O ATOM 806 CB LEU A 160 102.617 -4.051 5.295 1.00 4.13 C ATOM 807 CG LEU A 160 103.079 -5.457 5.679 1.00 4.38 C ATOM 808 CD1 LEU A 160 104.288 -5.389 6.597 1.00 4.84 C ATOM 809 CD2 LEU A 160 101.946 -6.226 6.342 1.00 4.59 C ATOM 0 H LEU A 160 100.173 -3.704 5.864 1.00 4.50 H new ATOM 0 HA LEU A 160 102.657 -3.464 7.367 1.00 4.49 H new ATOM 0 HB2 LEU A 160 101.819 -4.136 4.557 1.00 4.13 H new ATOM 0 HB3 LEU A 160 103.445 -3.532 4.811 1.00 4.13 H new ATOM 0 HG LEU A 160 103.368 -5.985 4.771 1.00 4.38 H new ATOM 0 HD11 LEU A 160 104.603 -6.399 6.860 1.00 4.84 H new ATOM 0 HD12 LEU A 160 105.104 -4.876 6.087 1.00 4.84 H new ATOM 0 HD13 LEU A 160 104.026 -4.843 7.503 1.00 4.84 H new ATOM 0 HD21 LEU A 160 102.292 -7.225 6.609 1.00 4.59 H new ATOM 0 HD22 LEU A 160 101.627 -5.700 7.242 1.00 4.59 H new ATOM 0 HD23 LEU A 160 101.107 -6.305 5.651 1.00 4.59 H new ATOM 821 N ILE A 161 101.333 -0.901 6.167 1.00 4.04 N ATOM 822 CA ILE A 161 101.483 0.525 5.904 1.00 4.02 C ATOM 823 C ILE A 161 101.460 1.326 7.202 1.00 4.66 C ATOM 824 O ILE A 161 100.419 1.460 7.845 1.00 4.65 O ATOM 825 CB ILE A 161 100.375 1.045 4.965 1.00 3.40 C ATOM 826 CG1 ILE A 161 100.358 0.237 3.666 1.00 2.89 C ATOM 827 CG2 ILE A 161 100.576 2.525 4.669 1.00 3.55 C ATOM 828 CD1 ILE A 161 98.976 0.078 3.071 1.00 2.37 C ATOM 0 H ILE A 161 100.374 -1.202 6.341 1.00 4.04 H new ATOM 0 HA ILE A 161 102.448 0.659 5.416 1.00 4.02 H new ATOM 0 HB ILE A 161 99.413 0.923 5.463 1.00 3.40 H new ATOM 0 HG12 ILE A 161 101.005 0.724 2.936 1.00 2.89 H new ATOM 0 HG13 ILE A 161 100.779 -0.750 3.856 1.00 2.89 H new ATOM 0 HG21 ILE A 161 99.785 2.874 4.005 1.00 3.55 H new ATOM 0 HG22 ILE A 161 100.544 3.090 5.601 1.00 3.55 H new ATOM 0 HG23 ILE A 161 101.544 2.672 4.189 1.00 3.55 H new ATOM 0 HD11 ILE A 161 99.040 -0.505 2.152 1.00 2.37 H new ATOM 0 HD12 ILE A 161 98.330 -0.436 3.783 1.00 2.37 H new ATOM 0 HD13 ILE A 161 98.560 1.061 2.849 1.00 2.37 H new ATOM 840 N GLN A 162 102.618 1.860 7.581 1.00 5.30 N ATOM 841 CA GLN A 162 102.735 2.650 8.800 1.00 6.01 C ATOM 842 C GLN A 162 102.774 4.140 8.479 1.00 6.16 C ATOM 843 O GLN A 162 103.793 4.804 8.676 1.00 6.76 O ATOM 844 CB GLN A 162 103.994 2.248 9.573 1.00 6.80 C ATOM 845 CG GLN A 162 104.183 0.743 9.694 1.00 6.97 C ATOM 846 CD GLN A 162 105.582 0.298 9.318 1.00 7.56 C ATOM 847 OE1 GLN A 162 106.564 0.974 9.627 1.00 8.05 O ATOM 848 NE2 GLN A 162 105.681 -0.843 8.647 1.00 7.77 N ATOM 0 H GLN A 162 103.489 1.759 7.060 1.00 5.30 H new ATOM 0 HA GLN A 162 101.859 2.453 9.418 1.00 6.01 H new ATOM 0 HB2 GLN A 162 104.866 2.676 9.078 1.00 6.80 H new ATOM 0 HB3 GLN A 162 103.950 2.681 10.572 1.00 6.80 H new ATOM 0 HG2 GLN A 162 103.971 0.435 10.718 1.00 6.97 H new ATOM 0 HG3 GLN A 162 103.461 0.237 9.053 1.00 6.97 H new ATOM 0 HE21 GLN A 162 104.841 -1.371 8.412 1.00 7.77 H new ATOM 0 HE22 GLN A 162 106.598 -1.192 8.366 1.00 7.77 H new ATOM 857 N LEU A 163 101.657 4.662 7.982 1.00 5.80 N ATOM 858 CA LEU A 163 101.563 6.075 7.632 1.00 6.11 C ATOM 859 C LEU A 163 100.301 6.698 8.223 1.00 6.27 C ATOM 860 O LEU A 163 99.193 6.448 7.747 1.00 6.00 O ATOM 861 CB LEU A 163 101.572 6.246 6.110 1.00 5.81 C ATOM 862 CG LEU A 163 102.900 6.728 5.522 1.00 6.22 C ATOM 863 CD1 LEU A 163 103.277 5.904 4.301 1.00 6.32 C ATOM 864 CD2 LEU A 163 102.820 8.206 5.166 1.00 6.57 C ATOM 0 H LEU A 163 100.805 4.128 7.813 1.00 5.80 H new ATOM 0 HA LEU A 163 102.428 6.588 8.051 1.00 6.11 H new ATOM 0 HB2 LEU A 163 101.313 5.292 5.651 1.00 5.81 H new ATOM 0 HB3 LEU A 163 100.791 6.955 5.834 1.00 5.81 H new ATOM 0 HG LEU A 163 103.676 6.596 6.276 1.00 6.22 H new ATOM 0 HD11 LEU A 163 104.224 6.263 3.898 1.00 6.32 H new ATOM 0 HD12 LEU A 163 103.377 4.857 4.586 1.00 6.32 H new ATOM 0 HD13 LEU A 163 102.500 6.001 3.543 1.00 6.32 H new ATOM 0 HD21 LEU A 163 103.773 8.532 4.749 1.00 6.57 H new ATOM 0 HD22 LEU A 163 102.030 8.361 4.431 1.00 6.57 H new ATOM 0 HD23 LEU A 163 102.599 8.785 6.063 1.00 6.57 H new ATOM 876 N ASP A 164 100.478 7.510 9.259 1.00 6.82 N ATOM 877 CA ASP A 164 99.353 8.171 9.914 1.00 7.11 C ATOM 878 C ASP A 164 98.586 9.043 8.927 1.00 6.85 C ATOM 879 O ASP A 164 99.172 9.639 8.023 1.00 6.80 O ATOM 880 CB ASP A 164 99.847 9.019 11.087 1.00 7.92 C ATOM 881 CG ASP A 164 100.206 8.179 12.296 1.00 8.46 C ATOM 882 OD1 ASP A 164 99.304 7.898 13.114 1.00 8.71 O ATOM 883 OD2 ASP A 164 101.390 7.803 12.428 1.00 8.87 O ATOM 0 H ASP A 164 101.389 7.727 9.664 1.00 6.82 H new ATOM 0 HA ASP A 164 98.679 7.401 10.290 1.00 7.11 H new ATOM 0 HB2 ASP A 164 100.719 9.593 10.775 1.00 7.92 H new ATOM 0 HB3 ASP A 164 99.075 9.737 11.363 1.00 7.92 H new ATOM 888 N CYS A 165 97.272 9.114 9.106 1.00 6.77 N ATOM 889 CA CYS A 165 96.424 9.915 8.231 1.00 6.61 C ATOM 890 C CYS A 165 96.848 11.377 8.252 1.00 7.27 C ATOM 891 O CYS A 165 96.610 12.091 9.227 1.00 7.79 O ATOM 892 CB CYS A 165 94.960 9.787 8.644 1.00 6.46 C ATOM 893 SG CYS A 165 93.777 10.046 7.284 1.00 5.92 S ATOM 0 H CYS A 165 96.771 8.627 9.849 1.00 6.77 H new ATOM 0 HA CYS A 165 96.538 9.539 7.214 1.00 6.61 H new ATOM 0 HB2 CYS A 165 94.799 8.796 9.067 1.00 6.46 H new ATOM 0 HB3 CYS A 165 94.752 10.509 9.434 1.00 6.46 H new ATOM 898 N ARG A 166 97.476 11.812 7.169 1.00 7.27 N ATOM 899 CA ARG A 166 97.939 13.190 7.051 1.00 7.93 C ATOM 900 C ARG A 166 96.762 14.157 6.998 1.00 8.10 C ATOM 901 O ARG A 166 96.730 15.139 7.736 1.00 0.00 O ATOM 902 CB ARG A 166 98.806 13.353 5.801 1.00 7.96 C ATOM 903 CG ARG A 166 99.897 12.300 5.676 1.00 7.80 C ATOM 904 CD ARG A 166 99.967 11.730 4.268 1.00 8.18 C ATOM 905 NE ARG A 166 100.833 12.523 3.399 1.00 8.38 N ATOM 906 CZ ARG A 166 100.859 12.409 2.072 1.00 8.69 C ATOM 907 NH1 ARG A 166 100.066 11.538 1.458 1.00 8.85 N ATOM 908 NH2 ARG A 166 101.676 13.170 1.358 1.00 9.07 N ATOM 0 H ARG A 166 97.678 11.230 6.356 1.00 7.27 H new ATOM 0 HA ARG A 166 98.537 13.423 7.932 1.00 7.93 H new ATOM 0 HB2 ARG A 166 98.168 13.310 4.918 1.00 7.96 H new ATOM 0 HB3 ARG A 166 99.266 14.341 5.814 1.00 7.96 H new ATOM 0 HG2 ARG A 166 100.859 12.739 5.939 1.00 7.80 H new ATOM 0 HG3 ARG A 166 99.709 11.495 6.386 1.00 7.80 H new ATOM 0 HD2 ARG A 166 100.336 10.705 4.310 1.00 8.18 H new ATOM 0 HD3 ARG A 166 98.964 11.691 3.842 1.00 8.18 H new ATOM 0 HE ARG A 166 101.455 13.205 3.834 1.00 8.38 H new ATOM 0 HH11 ARG A 166 99.433 10.952 2.003 1.00 8.85 H new ATOM 0 HH12 ARG A 166 100.090 11.455 0.442 1.00 8.85 H new ATOM 0 HH21 ARG A 166 102.285 13.843 1.825 1.00 9.07 H new ATOM 0 HH22 ARG A 166 101.696 13.083 0.342 1.00 9.07 H new TER 922 ARG A 166 HETATM 923 ZN ZN A 1 100.397 -3.996 -1.791 1.00 2.57 ZN HETATM 924 ZN ZN A 2 93.758 8.146 5.986 1.00 4.87 ZN