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 K(o=0,f=-0.95) USER MOD Single : A 148 ASN : amide:sc= -2.42 K(o=-2.4,f=-4.5!) USER MOD Single : A 150 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0279) USER MOD Single : A 152 THR OG1 : rot 180:sc= -1.56 USER MOD Single : A 153 CYS SG : rot -47:sc= 0.729 USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 162 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 108 73.992 -0.071 0.043 1.00 10.22 N ATOM 2 CA PRO A 108 73.327 0.141 1.358 1.00 9.66 C ATOM 3 C PRO A 108 74.280 0.753 2.383 1.00 8.88 C ATOM 4 O PRO A 108 73.978 1.780 2.991 1.00 8.70 O ATOM 5 CB PRO A 108 72.822 -1.215 1.842 1.00 10.05 C ATOM 6 CG PRO A 108 73.376 -2.189 0.857 1.00 10.77 C ATOM 7 CD PRO A 108 73.611 -1.417 -0.418 1.00 10.90 C ATOM 0 HA PRO A 108 72.502 0.844 1.241 1.00 9.66 H new ATOM 0 HB2 PRO A 108 73.169 -1.431 2.853 1.00 10.05 H new ATOM 0 HB3 PRO A 108 71.733 -1.249 1.865 1.00 10.05 H new ATOM 0 HG2 PRO A 108 74.305 -2.626 1.223 1.00 10.77 H new ATOM 0 HG3 PRO A 108 72.680 -3.012 0.691 1.00 10.77 H new ATOM 0 HD2 PRO A 108 74.399 -1.870 -1.019 1.00 10.90 H new ATOM 0 HD3 PRO A 108 72.715 -1.388 -1.037 1.00 10.90 H new ATOM 17 N ARG A 109 75.431 0.114 2.569 1.00 8.69 N ATOM 18 CA ARG A 109 76.427 0.594 3.520 1.00 8.24 C ATOM 19 C ARG A 109 76.905 1.994 3.147 1.00 7.42 C ATOM 20 O ARG A 109 77.719 2.161 2.238 1.00 7.30 O ATOM 21 CB ARG A 109 77.617 -0.366 3.573 1.00 8.70 C ATOM 22 CG ARG A 109 77.306 -1.683 4.266 1.00 9.39 C ATOM 23 CD ARG A 109 76.788 -1.462 5.680 1.00 10.11 C ATOM 24 NE ARG A 109 75.383 -1.839 5.813 1.00 10.64 N ATOM 25 CZ ARG A 109 74.599 -1.438 6.811 1.00 11.23 C ATOM 26 NH1 ARG A 109 75.078 -0.648 7.764 1.00 11.38 N ATOM 27 NH2 ARG A 109 73.333 -1.828 6.857 1.00 11.87 N ATOM 0 H ARG A 109 75.697 -0.737 2.074 1.00 8.69 H new ATOM 0 HA ARG A 109 75.961 0.639 4.504 1.00 8.24 H new ATOM 0 HB2 ARG A 109 77.954 -0.570 2.557 1.00 8.70 H new ATOM 0 HB3 ARG A 109 78.443 0.121 4.091 1.00 8.70 H new ATOM 0 HG2 ARG A 109 76.564 -2.233 3.688 1.00 9.39 H new ATOM 0 HG3 ARG A 109 78.205 -2.299 4.299 1.00 9.39 H new ATOM 0 HD2 ARG A 109 77.387 -2.043 6.381 1.00 10.11 H new ATOM 0 HD3 ARG A 109 76.909 -0.413 5.951 1.00 10.11 H new ATOM 0 HE ARG A 109 74.979 -2.445 5.099 1.00 10.64 H new ATOM 0 HH11 ARG A 109 76.052 -0.345 7.734 1.00 11.38 H new ATOM 0 HH12 ARG A 109 74.473 -0.344 8.526 1.00 11.38 H new ATOM 0 HH21 ARG A 109 72.960 -2.435 6.128 1.00 11.87 H new ATOM 0 HH22 ARG A 109 72.732 -1.521 7.622 1.00 11.87 H new ATOM 41 N VAL A 110 76.395 2.997 3.854 1.00 7.14 N ATOM 42 CA VAL A 110 76.771 4.382 3.596 1.00 6.64 C ATOM 43 C VAL A 110 77.902 4.826 4.518 1.00 5.95 C ATOM 44 O VAL A 110 78.775 5.598 4.118 1.00 6.04 O ATOM 45 CB VAL A 110 75.572 5.335 3.771 1.00 7.07 C ATOM 46 CG1 VAL A 110 74.462 4.982 2.794 1.00 7.50 C ATOM 47 CG2 VAL A 110 75.060 5.303 5.205 1.00 7.50 C ATOM 0 H VAL A 110 75.721 2.877 4.610 1.00 7.14 H new ATOM 0 HA VAL A 110 77.111 4.429 2.561 1.00 6.64 H new ATOM 0 HB VAL A 110 75.908 6.349 3.555 1.00 7.07 H new ATOM 0 HG11 VAL A 110 73.624 5.665 2.933 1.00 7.50 H new ATOM 0 HG12 VAL A 110 74.835 5.067 1.773 1.00 7.50 H new ATOM 0 HG13 VAL A 110 74.130 3.960 2.975 1.00 7.50 H new ATOM 0 HG21 VAL A 110 74.214 5.983 5.305 1.00 7.50 H new ATOM 0 HG22 VAL A 110 74.743 4.291 5.456 1.00 7.50 H new ATOM 0 HG23 VAL A 110 75.856 5.612 5.882 1.00 7.50 H new ATOM 57 N LEU A 111 77.881 4.335 5.753 1.00 5.61 N ATOM 58 CA LEU A 111 78.906 4.683 6.731 1.00 5.33 C ATOM 59 C LEU A 111 80.067 3.695 6.678 1.00 4.92 C ATOM 60 O LEU A 111 79.862 2.487 6.557 1.00 5.20 O ATOM 61 CB LEU A 111 78.307 4.710 8.139 1.00 5.69 C ATOM 62 CG LEU A 111 77.717 6.055 8.566 1.00 6.22 C ATOM 63 CD1 LEU A 111 76.924 5.905 9.854 1.00 6.87 C ATOM 64 CD2 LEU A 111 78.819 7.090 8.733 1.00 6.54 C ATOM 0 H LEU A 111 77.166 3.696 6.100 1.00 5.61 H new ATOM 0 HA LEU A 111 79.286 5.675 6.486 1.00 5.33 H new ATOM 0 HB2 LEU A 111 77.526 3.952 8.200 1.00 5.69 H new ATOM 0 HB3 LEU A 111 79.081 4.427 8.852 1.00 5.69 H new ATOM 0 HG LEU A 111 77.039 6.398 7.785 1.00 6.22 H new ATOM 0 HD11 LEU A 111 76.512 6.872 10.142 1.00 6.87 H new ATOM 0 HD12 LEU A 111 76.111 5.195 9.700 1.00 6.87 H new ATOM 0 HD13 LEU A 111 77.580 5.540 10.645 1.00 6.87 H new ATOM 0 HD21 LEU A 111 78.382 8.041 9.037 1.00 6.54 H new ATOM 0 HD22 LEU A 111 79.522 6.753 9.495 1.00 6.54 H new ATOM 0 HD23 LEU A 111 79.344 7.218 7.787 1.00 6.54 H new ATOM 76 N ALA A 112 81.286 4.217 6.769 1.00 4.51 N ATOM 77 CA ALA A 112 82.480 3.382 6.731 1.00 4.26 C ATOM 78 C ALA A 112 83.286 3.519 8.018 1.00 4.62 C ATOM 79 O ALA A 112 83.361 4.600 8.603 1.00 4.86 O ATOM 80 CB ALA A 112 83.338 3.742 5.528 1.00 3.90 C ATOM 0 H ALA A 112 81.472 5.215 6.870 1.00 4.51 H new ATOM 0 HA ALA A 112 82.164 2.343 6.640 1.00 4.26 H new ATOM 0 HB1 ALA A 112 84.226 3.110 5.513 1.00 3.90 H new ATOM 0 HB2 ALA A 112 82.766 3.586 4.613 1.00 3.90 H new ATOM 0 HB3 ALA A 112 83.638 4.788 5.595 1.00 3.90 H new ATOM 86 N GLU A 113 83.888 2.418 8.455 1.00 5.01 N ATOM 87 CA GLU A 113 84.689 2.416 9.673 1.00 5.63 C ATOM 88 C GLU A 113 85.854 3.393 9.560 1.00 5.62 C ATOM 89 O GLU A 113 86.939 3.030 9.104 1.00 5.86 O ATOM 90 CB GLU A 113 85.214 1.008 9.961 1.00 6.38 C ATOM 91 CG GLU A 113 84.258 0.158 10.782 1.00 7.05 C ATOM 92 CD GLU A 113 84.679 0.045 12.235 1.00 7.76 C ATOM 93 OE1 GLU A 113 84.881 1.097 12.878 1.00 8.28 O ATOM 94 OE2 GLU A 113 84.806 -1.095 12.729 1.00 8.06 O ATOM 0 H GLU A 113 83.836 1.515 7.983 1.00 5.01 H new ATOM 0 HA GLU A 113 84.051 2.734 10.498 1.00 5.63 H new ATOM 0 HB2 GLU A 113 85.415 0.504 9.016 1.00 6.38 H new ATOM 0 HB3 GLU A 113 86.164 1.085 10.490 1.00 6.38 H new ATOM 0 HG2 GLU A 113 83.258 0.589 10.730 1.00 7.05 H new ATOM 0 HG3 GLU A 113 84.199 -0.839 10.346 1.00 7.05 H new ATOM 101 N ARG A 114 85.623 4.633 9.977 1.00 5.65 N ATOM 102 CA ARG A 114 86.655 5.663 9.921 1.00 5.86 C ATOM 103 C ARG A 114 87.812 5.324 10.855 1.00 5.67 C ATOM 104 O ARG A 114 88.944 5.130 10.412 1.00 5.93 O ATOM 105 CB ARG A 114 86.067 7.025 10.294 1.00 6.46 C ATOM 106 CG ARG A 114 84.711 7.298 9.661 1.00 6.99 C ATOM 107 CD ARG A 114 83.586 7.171 10.676 1.00 7.69 C ATOM 108 NE ARG A 114 83.463 8.365 11.509 1.00 8.27 N ATOM 109 CZ ARG A 114 82.830 8.390 12.680 1.00 8.88 C ATOM 110 NH1 ARG A 114 82.261 7.291 13.159 1.00 9.01 N ATOM 111 NH2 ARG A 114 82.766 9.518 13.374 1.00 9.60 N ATOM 0 H ARG A 114 84.731 4.950 10.357 1.00 5.65 H new ATOM 0 HA ARG A 114 87.035 5.706 8.900 1.00 5.86 H new ATOM 0 HB2 ARG A 114 85.971 7.085 11.378 1.00 6.46 H new ATOM 0 HB3 ARG A 114 86.764 7.807 9.992 1.00 6.46 H new ATOM 0 HG2 ARG A 114 84.704 8.300 9.232 1.00 6.99 H new ATOM 0 HG3 ARG A 114 84.544 6.599 8.841 1.00 6.99 H new ATOM 0 HD2 ARG A 114 82.645 6.994 10.154 1.00 7.69 H new ATOM 0 HD3 ARG A 114 83.766 6.303 11.311 1.00 7.69 H new ATOM 0 HE ARG A 114 83.887 9.230 11.174 1.00 8.27 H new ATOM 0 HH11 ARG A 114 82.307 6.420 12.629 1.00 9.01 H new ATOM 0 HH12 ARG A 114 81.778 7.317 14.057 1.00 9.01 H new ATOM 0 HH21 ARG A 114 83.202 10.366 13.011 1.00 9.60 H new ATOM 0 HH22 ARG A 114 82.281 9.538 14.271 1.00 9.60 H new ATOM 125 N GLY A 115 87.520 5.254 12.150 1.00 5.54 N ATOM 126 CA GLY A 115 88.547 4.939 13.125 1.00 5.58 C ATOM 127 C GLY A 115 89.512 6.087 13.343 1.00 5.61 C ATOM 128 O GLY A 115 89.436 7.108 12.659 1.00 5.59 O ATOM 0 H GLY A 115 86.591 5.410 12.541 1.00 5.54 H new ATOM 0 HA2 GLY A 115 88.076 4.680 14.073 1.00 5.58 H new ATOM 0 HA3 GLY A 115 89.101 4.061 12.793 1.00 5.58 H new ATOM 132 N GLU A 116 90.422 5.921 14.296 1.00 5.86 N ATOM 133 CA GLU A 116 91.406 6.952 14.601 1.00 6.04 C ATOM 134 C GLU A 116 92.554 6.921 13.596 1.00 5.65 C ATOM 135 O GLU A 116 93.710 6.703 13.962 1.00 5.65 O ATOM 136 CB GLU A 116 91.946 6.768 16.021 1.00 6.59 C ATOM 137 CG GLU A 116 92.335 8.072 16.697 1.00 7.12 C ATOM 138 CD GLU A 116 92.262 7.989 18.209 1.00 7.58 C ATOM 139 OE1 GLU A 116 92.795 7.012 18.777 1.00 7.68 O ATOM 140 OE2 GLU A 116 91.670 8.900 18.826 1.00 8.09 O ATOM 0 H GLU A 116 90.499 5.082 14.871 1.00 5.86 H new ATOM 0 HA GLU A 116 90.914 7.922 14.532 1.00 6.04 H new ATOM 0 HB2 GLU A 116 91.191 6.266 16.626 1.00 6.59 H new ATOM 0 HB3 GLU A 116 92.816 6.112 15.988 1.00 6.59 H new ATOM 0 HG2 GLU A 116 93.348 8.343 16.400 1.00 7.12 H new ATOM 0 HG3 GLU A 116 91.677 8.868 16.348 1.00 7.12 H new ATOM 147 N GLY A 117 92.227 7.140 12.326 1.00 5.58 N ATOM 148 CA GLY A 117 93.241 7.133 11.288 1.00 5.33 C ATOM 149 C GLY A 117 92.649 6.987 9.900 1.00 4.66 C ATOM 150 O GLY A 117 91.649 7.625 9.573 1.00 4.51 O ATOM 0 H GLY A 117 91.279 7.322 11.998 1.00 5.58 H new ATOM 0 HA2 GLY A 117 93.815 8.058 11.339 1.00 5.33 H new ATOM 0 HA3 GLY A 117 93.938 6.315 11.470 1.00 5.33 H new ATOM 154 N HIS A 118 93.270 6.144 9.081 1.00 4.31 N ATOM 155 CA HIS A 118 92.801 5.915 7.719 1.00 3.68 C ATOM 156 C HIS A 118 91.427 5.254 7.717 1.00 3.34 C ATOM 157 O HIS A 118 91.118 4.439 8.586 1.00 3.48 O ATOM 158 CB HIS A 118 93.798 5.041 6.956 1.00 3.40 C ATOM 159 CG HIS A 118 95.153 5.659 6.813 1.00 3.61 C ATOM 160 ND1 HIS A 118 95.306 7.006 6.592 1.00 4.03 N ATOM 161 CD2 HIS A 118 96.376 5.077 6.868 1.00 3.53 C ATOM 162 CE1 HIS A 118 96.609 7.214 6.517 1.00 4.19 C ATOM 163 NE2 HIS A 118 97.298 6.074 6.677 1.00 3.88 N ATOM 0 H HIS A 118 94.099 5.608 9.337 1.00 4.31 H new ATOM 0 HA HIS A 118 92.719 6.883 7.224 1.00 3.68 H new ATOM 0 HB2 HIS A 118 93.897 4.085 7.470 1.00 3.40 H new ATOM 0 HB3 HIS A 118 93.398 4.830 5.964 1.00 3.40 H new ATOM 0 HD2 HIS A 118 96.584 4.030 7.031 1.00 3.53 H new ATOM 0 HE1 HIS A 118 97.062 8.180 6.348 1.00 4.19 H new ATOM 0 HE2 HIS A 118 98.312 5.969 6.660 1.00 3.88 H new ATOM 171 N ARG A 119 90.607 5.607 6.732 1.00 3.00 N ATOM 172 CA ARG A 119 89.268 5.042 6.614 1.00 2.70 C ATOM 173 C ARG A 119 89.294 3.768 5.778 1.00 2.13 C ATOM 174 O ARG A 119 88.648 2.776 6.116 1.00 2.09 O ATOM 175 CB ARG A 119 88.312 6.060 5.988 1.00 2.79 C ATOM 176 CG ARG A 119 88.662 6.425 4.554 1.00 2.71 C ATOM 177 CD ARG A 119 87.666 7.415 3.972 1.00 3.07 C ATOM 178 NE ARG A 119 86.284 6.994 4.190 1.00 3.27 N ATOM 179 CZ ARG A 119 85.235 7.807 4.080 1.00 3.64 C ATOM 180 NH1 ARG A 119 85.406 9.082 3.754 1.00 3.85 N ATOM 181 NH2 ARG A 119 84.012 7.343 4.295 1.00 4.22 N ATOM 0 H ARG A 119 90.846 6.281 6.005 1.00 3.00 H new ATOM 0 HA ARG A 119 88.913 4.795 7.615 1.00 2.70 H new ATOM 0 HB2 ARG A 119 87.299 5.658 6.015 1.00 2.79 H new ATOM 0 HB3 ARG A 119 88.312 6.966 6.594 1.00 2.79 H new ATOM 0 HG2 ARG A 119 89.664 6.853 4.521 1.00 2.71 H new ATOM 0 HG3 ARG A 119 88.680 5.523 3.942 1.00 2.71 H new ATOM 0 HD2 ARG A 119 87.822 8.394 4.424 1.00 3.07 H new ATOM 0 HD3 ARG A 119 87.847 7.525 2.903 1.00 3.07 H new ATOM 0 HE ARG A 119 86.113 6.020 4.441 1.00 3.27 H new ATOM 0 HH11 ARG A 119 86.345 9.444 3.586 1.00 3.85 H new ATOM 0 HH12 ARG A 119 84.599 9.700 3.671 1.00 3.85 H new ATOM 0 HH21 ARG A 119 83.875 6.364 4.545 1.00 4.22 H new ATOM 0 HH22 ARG A 119 83.208 7.965 4.211 1.00 4.22 H new ATOM 195 N PHE A 120 90.051 3.802 4.685 1.00 1.84 N ATOM 196 CA PHE A 120 90.171 2.652 3.796 1.00 1.35 C ATOM 197 C PHE A 120 88.800 2.160 3.342 1.00 1.29 C ATOM 198 O PHE A 120 88.107 1.457 4.078 1.00 1.55 O ATOM 199 CB PHE A 120 90.921 1.518 4.493 1.00 1.45 C ATOM 200 CG PHE A 120 92.406 1.736 4.572 1.00 1.55 C ATOM 201 CD1 PHE A 120 93.169 1.819 3.418 1.00 1.18 C ATOM 202 CD2 PHE A 120 93.037 1.856 5.799 1.00 2.14 C ATOM 203 CE1 PHE A 120 94.535 2.019 3.487 1.00 1.40 C ATOM 204 CE2 PHE A 120 94.403 2.056 5.875 1.00 2.35 C ATOM 205 CZ PHE A 120 95.153 2.137 4.717 1.00 1.99 C ATOM 0 H PHE A 120 90.592 4.616 4.394 1.00 1.84 H new ATOM 0 HA PHE A 120 90.732 2.968 2.917 1.00 1.35 H new ATOM 0 HB2 PHE A 120 90.526 1.399 5.502 1.00 1.45 H new ATOM 0 HB3 PHE A 120 90.727 0.586 3.963 1.00 1.45 H new ATOM 0 HD1 PHE A 120 92.691 1.726 2.454 1.00 1.18 H new ATOM 0 HD2 PHE A 120 92.455 1.793 6.707 1.00 2.14 H new ATOM 0 HE1 PHE A 120 95.118 2.083 2.580 1.00 1.40 H new ATOM 0 HE2 PHE A 120 94.883 2.149 6.838 1.00 2.35 H new ATOM 0 HZ PHE A 120 96.220 2.292 4.773 1.00 1.99 H new ATOM 215 N VAL A 121 88.417 2.531 2.126 1.00 1.35 N ATOM 216 CA VAL A 121 87.130 2.123 1.575 1.00 1.64 C ATOM 217 C VAL A 121 87.268 0.840 0.763 1.00 1.85 C ATOM 218 O VAL A 121 87.899 0.826 -0.294 1.00 2.03 O ATOM 219 CB VAL A 121 86.523 3.218 0.678 1.00 2.06 C ATOM 220 CG1 VAL A 121 85.058 2.925 0.395 1.00 2.32 C ATOM 221 CG2 VAL A 121 86.685 4.589 1.319 1.00 2.51 C ATOM 0 H VAL A 121 88.978 3.113 1.504 1.00 1.35 H new ATOM 0 HA VAL A 121 86.465 1.952 2.422 1.00 1.64 H new ATOM 0 HB VAL A 121 87.060 3.221 -0.270 1.00 2.06 H new ATOM 0 HG11 VAL A 121 84.646 3.709 -0.240 1.00 2.32 H new ATOM 0 HG12 VAL A 121 84.970 1.964 -0.112 1.00 2.32 H new ATOM 0 HG13 VAL A 121 84.506 2.891 1.334 1.00 2.32 H new ATOM 0 HG21 VAL A 121 86.250 5.348 0.669 1.00 2.51 H new ATOM 0 HG22 VAL A 121 86.177 4.602 2.283 1.00 2.51 H new ATOM 0 HG23 VAL A 121 87.745 4.800 1.464 1.00 2.51 H new ATOM 231 N GLU A 122 86.674 -0.237 1.266 1.00 2.08 N ATOM 232 CA GLU A 122 86.729 -1.529 0.590 1.00 2.53 C ATOM 233 C GLU A 122 86.211 -1.421 -0.841 1.00 2.96 C ATOM 234 O GLU A 122 85.055 -1.064 -1.068 1.00 3.14 O ATOM 235 CB GLU A 122 85.912 -2.566 1.363 1.00 2.93 C ATOM 236 CG GLU A 122 86.690 -3.246 2.478 1.00 3.29 C ATOM 237 CD GLU A 122 85.907 -3.324 3.774 1.00 3.58 C ATOM 238 OE1 GLU A 122 84.841 -3.976 3.785 1.00 3.89 O ATOM 239 OE2 GLU A 122 86.359 -2.734 4.777 1.00 3.96 O ATOM 0 H GLU A 122 86.148 -0.241 2.140 1.00 2.08 H new ATOM 0 HA GLU A 122 87.771 -1.847 0.555 1.00 2.53 H new ATOM 0 HB2 GLU A 122 85.033 -2.081 1.788 1.00 2.93 H new ATOM 0 HB3 GLU A 122 85.552 -3.324 0.668 1.00 2.93 H new ATOM 0 HG2 GLU A 122 86.964 -4.253 2.163 1.00 3.29 H new ATOM 0 HG3 GLU A 122 87.619 -2.702 2.651 1.00 3.29 H new ATOM 246 N LEU A 123 87.075 -1.733 -1.801 1.00 3.23 N ATOM 247 CA LEU A 123 86.708 -1.672 -3.209 1.00 3.78 C ATOM 248 C LEU A 123 86.033 -2.970 -3.646 1.00 4.32 C ATOM 249 O LEU A 123 86.693 -3.993 -3.831 1.00 4.52 O ATOM 250 CB LEU A 123 87.951 -1.403 -4.063 1.00 3.96 C ATOM 251 CG LEU A 123 87.788 -1.675 -5.560 1.00 4.23 C ATOM 252 CD1 LEU A 123 86.761 -0.731 -6.166 1.00 4.67 C ATOM 253 CD2 LEU A 123 89.125 -1.542 -6.273 1.00 4.52 C ATOM 0 H LEU A 123 88.035 -2.031 -1.628 1.00 3.23 H new ATOM 0 HA LEU A 123 86.000 -0.855 -3.349 1.00 3.78 H new ATOM 0 HB2 LEU A 123 88.245 -0.362 -3.930 1.00 3.96 H new ATOM 0 HB3 LEU A 123 88.770 -2.016 -3.686 1.00 3.96 H new ATOM 0 HG LEU A 123 87.430 -2.697 -5.688 1.00 4.23 H new ATOM 0 HD11 LEU A 123 86.659 -0.940 -7.231 1.00 4.67 H new ATOM 0 HD12 LEU A 123 85.799 -0.875 -5.674 1.00 4.67 H new ATOM 0 HD13 LEU A 123 87.088 0.300 -6.028 1.00 4.67 H new ATOM 0 HD21 LEU A 123 88.991 -1.739 -7.337 1.00 4.52 H new ATOM 0 HD22 LEU A 123 89.511 -0.532 -6.136 1.00 4.52 H new ATOM 0 HD23 LEU A 123 89.832 -2.260 -5.857 1.00 4.52 H new ATOM 265 N ALA A 124 84.715 -2.920 -3.807 1.00 4.70 N ATOM 266 CA ALA A 124 83.950 -4.091 -4.221 1.00 5.29 C ATOM 267 C ALA A 124 84.433 -4.615 -5.569 1.00 5.76 C ATOM 268 O ALA A 124 83.973 -4.170 -6.620 1.00 6.13 O ATOM 269 CB ALA A 124 82.468 -3.756 -4.283 1.00 5.64 C ATOM 0 H ALA A 124 84.154 -2.081 -3.657 1.00 4.70 H new ATOM 0 HA ALA A 124 84.104 -4.876 -3.480 1.00 5.29 H new ATOM 0 HB1 ALA A 124 81.908 -4.638 -4.593 1.00 5.64 H new ATOM 0 HB2 ALA A 124 82.126 -3.437 -3.299 1.00 5.64 H new ATOM 0 HB3 ALA A 124 82.306 -2.953 -5.002 1.00 5.64 H new ATOM 275 N LEU A 125 85.362 -5.564 -5.530 1.00 5.88 N ATOM 276 CA LEU A 125 85.906 -6.150 -6.750 1.00 6.41 C ATOM 277 C LEU A 125 84.933 -7.163 -7.347 1.00 7.09 C ATOM 278 O LEU A 125 85.240 -8.351 -7.448 1.00 7.47 O ATOM 279 CB LEU A 125 87.252 -6.821 -6.461 1.00 6.43 C ATOM 280 CG LEU A 125 88.474 -5.913 -6.617 1.00 6.04 C ATOM 281 CD1 LEU A 125 88.870 -5.317 -5.274 1.00 5.90 C ATOM 282 CD2 LEU A 125 89.638 -6.684 -7.224 1.00 6.33 C ATOM 0 H LEU A 125 85.754 -5.944 -4.668 1.00 5.88 H new ATOM 0 HA LEU A 125 86.056 -5.350 -7.475 1.00 6.41 H new ATOM 0 HB2 LEU A 125 87.235 -7.211 -5.443 1.00 6.43 H new ATOM 0 HB3 LEU A 125 87.366 -7.676 -7.128 1.00 6.43 H new ATOM 0 HG LEU A 125 88.213 -5.098 -7.292 1.00 6.04 H new ATOM 0 HD11 LEU A 125 89.741 -4.674 -5.404 1.00 5.90 H new ATOM 0 HD12 LEU A 125 88.041 -4.730 -4.878 1.00 5.90 H new ATOM 0 HD13 LEU A 125 89.112 -6.119 -4.577 1.00 5.90 H new ATOM 0 HD21 LEU A 125 90.498 -6.022 -7.328 1.00 6.33 H new ATOM 0 HD22 LEU A 125 89.899 -7.520 -6.575 1.00 6.33 H new ATOM 0 HD23 LEU A 125 89.351 -7.063 -8.205 1.00 6.33 H new ATOM 294 N ARG A 126 83.758 -6.684 -7.741 1.00 7.45 N ATOM 295 CA ARG A 126 82.738 -7.545 -8.328 1.00 8.16 C ATOM 296 C ARG A 126 82.708 -7.394 -9.845 1.00 8.54 C ATOM 297 O ARG A 126 81.644 -7.439 -10.463 1.00 8.99 O ATOM 298 CB ARG A 126 81.364 -7.216 -7.744 1.00 8.29 C ATOM 299 CG ARG A 126 81.168 -7.725 -6.324 1.00 8.42 C ATOM 300 CD ARG A 126 80.020 -8.718 -6.238 1.00 8.62 C ATOM 301 NE ARG A 126 79.232 -8.539 -5.021 1.00 8.96 N ATOM 302 CZ ARG A 126 78.515 -7.450 -4.756 1.00 9.40 C ATOM 303 NH1 ARG A 126 78.482 -6.442 -5.618 1.00 9.57 N ATOM 304 NH2 ARG A 126 77.827 -7.369 -3.625 1.00 9.90 N ATOM 0 H ARG A 126 83.488 -5.703 -7.664 1.00 7.45 H new ATOM 0 HA ARG A 126 82.988 -8.578 -8.088 1.00 8.16 H new ATOM 0 HB2 ARG A 126 81.223 -6.135 -7.756 1.00 8.29 H new ATOM 0 HB3 ARG A 126 80.594 -7.646 -8.385 1.00 8.29 H new ATOM 0 HG2 ARG A 126 82.086 -8.199 -5.977 1.00 8.42 H new ATOM 0 HG3 ARG A 126 80.972 -6.884 -5.659 1.00 8.42 H new ATOM 0 HD2 ARG A 126 79.374 -8.602 -7.108 1.00 8.62 H new ATOM 0 HD3 ARG A 126 80.416 -9.733 -6.268 1.00 8.62 H new ATOM 0 HE ARG A 126 79.231 -9.293 -4.334 1.00 8.96 H new ATOM 0 HH11 ARG A 126 79.008 -6.499 -6.490 1.00 9.57 H new ATOM 0 HH12 ARG A 126 77.930 -5.610 -5.409 1.00 9.57 H new ATOM 0 HH21 ARG A 126 77.848 -8.141 -2.959 1.00 9.90 H new ATOM 0 HH22 ARG A 126 77.277 -6.534 -3.421 1.00 9.90 H new ATOM 318 N GLY A 127 83.882 -7.212 -10.439 1.00 8.48 N ATOM 319 CA GLY A 127 83.970 -7.054 -11.879 1.00 8.92 C ATOM 320 C GLY A 127 85.100 -6.133 -12.291 1.00 8.66 C ATOM 321 O GLY A 127 85.641 -6.255 -13.390 1.00 9.07 O ATOM 0 H GLY A 127 84.775 -7.171 -9.949 1.00 8.48 H new ATOM 0 HA2 GLY A 127 84.114 -8.031 -12.341 1.00 8.92 H new ATOM 0 HA3 GLY A 127 83.027 -6.659 -12.257 1.00 8.92 H new ATOM 325 N GLY A 128 85.459 -5.207 -11.407 1.00 8.06 N ATOM 326 CA GLY A 128 86.531 -4.275 -11.702 1.00 7.88 C ATOM 327 C GLY A 128 87.803 -4.594 -10.935 1.00 7.31 C ATOM 328 O GLY A 128 87.773 -4.715 -9.710 1.00 6.86 O ATOM 0 H GLY A 128 85.026 -5.086 -10.491 1.00 8.06 H new ATOM 0 HA2 GLY A 128 86.741 -4.293 -12.772 1.00 7.88 H new ATOM 0 HA3 GLY A 128 86.207 -3.263 -11.458 1.00 7.88 H new ATOM 332 N PRO A 129 88.946 -4.739 -11.629 1.00 7.36 N ATOM 333 CA PRO A 129 90.227 -5.047 -10.983 1.00 6.87 C ATOM 334 C PRO A 129 90.704 -3.921 -10.075 1.00 6.23 C ATOM 335 O PRO A 129 90.133 -2.831 -10.063 1.00 6.22 O ATOM 336 CB PRO A 129 91.195 -5.223 -12.158 1.00 7.19 C ATOM 337 CG PRO A 129 90.566 -4.482 -13.288 1.00 7.84 C ATOM 338 CD PRO A 129 89.083 -4.614 -13.092 1.00 7.95 C ATOM 0 HA PRO A 129 90.151 -5.924 -10.341 1.00 6.87 H new ATOM 0 HB2 PRO A 129 92.180 -4.821 -11.922 1.00 7.19 H new ATOM 0 HB3 PRO A 129 91.331 -6.276 -12.403 1.00 7.19 H new ATOM 0 HG2 PRO A 129 90.869 -3.435 -13.285 1.00 7.84 H new ATOM 0 HG3 PRO A 129 90.872 -4.900 -14.247 1.00 7.84 H new ATOM 0 HD2 PRO A 129 88.547 -3.745 -13.474 1.00 7.95 H new ATOM 0 HD3 PRO A 129 88.685 -5.487 -13.610 1.00 7.95 H new ATOM 346 N GLY A 130 91.767 -4.191 -9.325 1.00 5.76 N ATOM 347 CA GLY A 130 92.323 -3.197 -8.435 1.00 5.14 C ATOM 348 C GLY A 130 93.832 -3.221 -8.478 1.00 4.88 C ATOM 349 O GLY A 130 94.435 -4.290 -8.498 1.00 4.97 O ATOM 0 H GLY A 130 92.254 -5.087 -9.320 1.00 5.76 H new ATOM 0 HA2 GLY A 130 91.963 -2.208 -8.717 1.00 5.14 H new ATOM 0 HA3 GLY A 130 91.981 -3.382 -7.417 1.00 5.14 H new ATOM 353 N TRP A 131 94.448 -2.053 -8.518 1.00 4.68 N ATOM 354 CA TRP A 131 95.898 -1.976 -8.584 1.00 4.47 C ATOM 355 C TRP A 131 96.475 -1.343 -7.324 1.00 3.78 C ATOM 356 O TRP A 131 96.216 -0.178 -7.026 1.00 3.65 O ATOM 357 CB TRP A 131 96.317 -1.186 -9.821 1.00 4.93 C ATOM 358 CG TRP A 131 96.147 -1.956 -11.095 1.00 5.54 C ATOM 359 CD1 TRP A 131 95.043 -2.658 -11.485 1.00 5.95 C ATOM 360 CD2 TRP A 131 97.109 -2.105 -12.145 1.00 5.90 C ATOM 361 NE1 TRP A 131 95.259 -3.235 -12.712 1.00 6.49 N ATOM 362 CE2 TRP A 131 96.520 -2.910 -13.139 1.00 6.48 C ATOM 363 CE3 TRP A 131 98.411 -1.635 -12.342 1.00 5.86 C ATOM 364 CZ2 TRP A 131 97.189 -3.254 -14.311 1.00 6.99 C ATOM 365 CZ3 TRP A 131 99.074 -1.979 -13.506 1.00 6.41 C ATOM 366 CH2 TRP A 131 98.462 -2.781 -14.478 1.00 6.95 C ATOM 0 H TRP A 131 93.972 -1.151 -8.506 1.00 4.68 H new ATOM 0 HA TRP A 131 96.294 -2.989 -8.655 1.00 4.47 H new ATOM 0 HB2 TRP A 131 95.729 -0.270 -9.876 1.00 4.93 H new ATOM 0 HB3 TRP A 131 97.361 -0.889 -9.719 1.00 4.93 H new ATOM 0 HD1 TRP A 131 94.132 -2.747 -10.912 1.00 5.95 H new ATOM 0 HE1 TRP A 131 94.590 -3.811 -13.222 1.00 6.49 H new ATOM 0 HE3 TRP A 131 98.890 -1.015 -11.599 1.00 5.86 H new ATOM 0 HZ2 TRP A 131 96.719 -3.872 -15.062 1.00 6.99 H new ATOM 0 HZ3 TRP A 131 100.081 -1.623 -13.668 1.00 6.41 H new ATOM 0 HH2 TRP A 131 99.006 -3.031 -15.377 1.00 6.95 H new ATOM 377 N CYS A 132 97.258 -2.127 -6.589 1.00 3.41 N ATOM 378 CA CYS A 132 97.879 -1.658 -5.357 1.00 2.75 C ATOM 379 C CYS A 132 98.786 -0.462 -5.629 1.00 2.70 C ATOM 380 O CYS A 132 99.998 -0.611 -5.783 1.00 2.72 O ATOM 381 CB CYS A 132 98.679 -2.790 -4.712 1.00 2.59 C ATOM 382 SG CYS A 132 99.510 -2.328 -3.159 1.00 1.92 S ATOM 0 H CYS A 132 97.478 -3.094 -6.828 1.00 3.41 H new ATOM 0 HA CYS A 132 97.092 -1.341 -4.672 1.00 2.75 H new ATOM 0 HB2 CYS A 132 98.009 -3.628 -4.517 1.00 2.59 H new ATOM 0 HB3 CYS A 132 99.429 -3.140 -5.422 1.00 2.59 H new ATOM 387 N ASP A 133 98.183 0.723 -5.689 1.00 2.76 N ATOM 388 CA ASP A 133 98.921 1.960 -5.949 1.00 2.99 C ATOM 389 C ASP A 133 100.220 2.014 -5.150 1.00 2.67 C ATOM 390 O ASP A 133 101.214 2.588 -5.596 1.00 3.00 O ATOM 391 CB ASP A 133 98.052 3.171 -5.610 1.00 3.10 C ATOM 392 CG ASP A 133 96.678 3.096 -6.248 1.00 3.50 C ATOM 393 OD1 ASP A 133 96.582 3.299 -7.477 1.00 4.07 O ATOM 394 OD2 ASP A 133 95.698 2.834 -5.518 1.00 3.39 O ATOM 0 H ASP A 133 97.180 0.854 -5.560 1.00 2.76 H new ATOM 0 HA ASP A 133 99.175 1.980 -7.009 1.00 2.99 H new ATOM 0 HB2 ASP A 133 97.943 3.245 -4.528 1.00 3.10 H new ATOM 0 HB3 ASP A 133 98.554 4.079 -5.942 1.00 3.10 H new ATOM 399 N LEU A 134 100.203 1.408 -3.969 1.00 2.09 N ATOM 400 CA LEU A 134 101.376 1.378 -3.104 1.00 1.88 C ATOM 401 C LEU A 134 102.550 0.702 -3.812 1.00 2.03 C ATOM 402 O LEU A 134 103.610 1.301 -3.991 1.00 2.30 O ATOM 403 CB LEU A 134 101.028 0.654 -1.793 1.00 1.38 C ATOM 404 CG LEU A 134 102.159 -0.146 -1.134 1.00 1.36 C ATOM 405 CD1 LEU A 134 102.973 0.742 -0.206 1.00 1.75 C ATOM 406 CD2 LEU A 134 101.587 -1.332 -0.376 1.00 1.36 C ATOM 0 H LEU A 134 99.387 0.929 -3.587 1.00 2.09 H new ATOM 0 HA LEU A 134 101.677 2.399 -2.871 1.00 1.88 H new ATOM 0 HB2 LEU A 134 100.672 1.395 -1.077 1.00 1.38 H new ATOM 0 HB3 LEU A 134 100.198 -0.025 -1.988 1.00 1.38 H new ATOM 0 HG LEU A 134 102.823 -0.519 -1.914 1.00 1.36 H new ATOM 0 HD11 LEU A 134 103.770 0.156 0.252 1.00 1.75 H new ATOM 0 HD12 LEU A 134 103.408 1.563 -0.776 1.00 1.75 H new ATOM 0 HD13 LEU A 134 102.326 1.145 0.573 1.00 1.75 H new ATOM 0 HD21 LEU A 134 102.398 -1.893 0.088 1.00 1.36 H new ATOM 0 HD22 LEU A 134 100.905 -0.976 0.396 1.00 1.36 H new ATOM 0 HD23 LEU A 134 101.047 -1.979 -1.067 1.00 1.36 H new ATOM 418 N CYS A 135 102.351 -0.552 -4.205 1.00 2.02 N ATOM 419 CA CYS A 135 103.389 -1.317 -4.888 1.00 2.29 C ATOM 420 C CYS A 135 103.331 -1.090 -6.395 1.00 2.85 C ATOM 421 O CYS A 135 104.330 -0.731 -7.019 1.00 3.12 O ATOM 422 CB CYS A 135 103.240 -2.812 -4.586 1.00 2.32 C ATOM 423 SG CYS A 135 102.736 -3.190 -2.875 1.00 1.96 S ATOM 0 H CYS A 135 101.479 -1.061 -4.062 1.00 2.02 H new ATOM 0 HA CYS A 135 104.355 -0.972 -4.519 1.00 2.29 H new ATOM 0 HB2 CYS A 135 102.505 -3.237 -5.270 1.00 2.32 H new ATOM 0 HB3 CYS A 135 104.189 -3.308 -4.790 1.00 2.32 H new ATOM 428 N GLY A 136 102.155 -1.304 -6.975 1.00 3.13 N ATOM 429 CA GLY A 136 101.984 -1.122 -8.404 1.00 3.74 C ATOM 430 C GLY A 136 101.602 -2.408 -9.115 1.00 4.13 C ATOM 431 O GLY A 136 101.733 -2.511 -10.335 1.00 4.68 O ATOM 0 H GLY A 136 101.315 -1.601 -6.479 1.00 3.13 H new ATOM 0 HA2 GLY A 136 101.214 -0.371 -8.581 1.00 3.74 H new ATOM 0 HA3 GLY A 136 102.910 -0.737 -8.831 1.00 3.74 H new ATOM 435 N ARG A 137 101.128 -3.391 -8.354 1.00 3.96 N ATOM 436 CA ARG A 137 100.727 -4.673 -8.921 1.00 4.45 C ATOM 437 C ARG A 137 99.207 -4.796 -8.965 1.00 4.61 C ATOM 438 O ARG A 137 98.490 -3.813 -8.775 1.00 4.36 O ATOM 439 CB ARG A 137 101.321 -5.825 -8.106 1.00 4.39 C ATOM 440 CG ARG A 137 102.778 -5.616 -7.719 1.00 4.28 C ATOM 441 CD ARG A 137 103.712 -6.440 -8.591 1.00 4.59 C ATOM 442 NE ARG A 137 105.082 -5.934 -8.554 1.00 4.55 N ATOM 443 CZ ARG A 137 106.147 -6.650 -8.906 1.00 5.21 C ATOM 444 NH1 ARG A 137 106.007 -7.902 -9.324 1.00 5.85 N ATOM 445 NH2 ARG A 137 107.358 -6.112 -8.841 1.00 5.48 N ATOM 0 H ARG A 137 101.013 -3.323 -7.343 1.00 3.96 H new ATOM 0 HA ARG A 137 101.108 -4.726 -9.941 1.00 4.45 H new ATOM 0 HB2 ARG A 137 100.730 -5.960 -7.200 1.00 4.39 H new ATOM 0 HB3 ARG A 137 101.236 -6.747 -8.682 1.00 4.39 H new ATOM 0 HG2 ARG A 137 103.031 -4.560 -7.810 1.00 4.28 H new ATOM 0 HG3 ARG A 137 102.920 -5.889 -6.673 1.00 4.28 H new ATOM 0 HD2 ARG A 137 103.699 -7.477 -8.257 1.00 4.59 H new ATOM 0 HD3 ARG A 137 103.350 -6.432 -9.619 1.00 4.59 H new ATOM 0 HE ARG A 137 105.231 -4.975 -8.240 1.00 4.55 H new ATOM 0 HH11 ARG A 137 105.079 -8.321 -9.377 1.00 5.85 H new ATOM 0 HH12 ARG A 137 106.828 -8.445 -9.592 1.00 5.85 H new ATOM 0 HH21 ARG A 137 107.472 -5.150 -8.521 1.00 5.48 H new ATOM 0 HH22 ARG A 137 108.175 -6.660 -9.111 1.00 5.48 H new ATOM 459 N GLU A 138 98.721 -6.007 -9.215 1.00 5.08 N ATOM 460 CA GLU A 138 97.285 -6.256 -9.281 1.00 5.32 C ATOM 461 C GLU A 138 96.762 -6.784 -7.949 1.00 5.05 C ATOM 462 O GLU A 138 97.393 -7.628 -7.313 1.00 5.11 O ATOM 463 CB GLU A 138 96.970 -7.254 -10.397 1.00 6.04 C ATOM 464 CG GLU A 138 96.790 -6.606 -11.760 1.00 6.47 C ATOM 465 CD GLU A 138 96.664 -7.624 -12.877 1.00 7.07 C ATOM 466 OE1 GLU A 138 97.657 -8.331 -13.150 1.00 7.39 O ATOM 467 OE2 GLU A 138 95.573 -7.715 -13.477 1.00 7.46 O ATOM 0 H GLU A 138 99.300 -6.831 -9.375 1.00 5.08 H new ATOM 0 HA GLU A 138 96.788 -5.310 -9.497 1.00 5.32 H new ATOM 0 HB2 GLU A 138 97.775 -7.987 -10.456 1.00 6.04 H new ATOM 0 HB3 GLU A 138 96.061 -7.799 -10.140 1.00 6.04 H new ATOM 0 HG2 GLU A 138 95.900 -5.977 -11.745 1.00 6.47 H new ATOM 0 HG3 GLU A 138 97.639 -5.953 -11.963 1.00 6.47 H new ATOM 474 N VAL A 139 95.604 -6.280 -7.533 1.00 4.84 N ATOM 475 CA VAL A 139 94.996 -6.698 -6.276 1.00 4.65 C ATOM 476 C VAL A 139 93.773 -7.581 -6.522 1.00 5.22 C ATOM 477 O VAL A 139 92.921 -7.265 -7.351 1.00 5.48 O ATOM 478 CB VAL A 139 94.601 -5.481 -5.406 1.00 4.07 C ATOM 479 CG1 VAL A 139 95.742 -4.474 -5.350 1.00 3.54 C ATOM 480 CG2 VAL A 139 93.327 -4.822 -5.922 1.00 4.28 C ATOM 0 H VAL A 139 95.069 -5.582 -8.049 1.00 4.84 H new ATOM 0 HA VAL A 139 95.744 -7.279 -5.736 1.00 4.65 H new ATOM 0 HB VAL A 139 94.404 -5.840 -4.396 1.00 4.07 H new ATOM 0 HG11 VAL A 139 95.447 -3.624 -4.734 1.00 3.54 H new ATOM 0 HG12 VAL A 139 96.624 -4.947 -4.918 1.00 3.54 H new ATOM 0 HG13 VAL A 139 95.973 -4.129 -6.358 1.00 3.54 H new ATOM 0 HG21 VAL A 139 93.076 -3.970 -5.290 1.00 4.28 H new ATOM 0 HG22 VAL A 139 93.483 -4.481 -6.945 1.00 4.28 H new ATOM 0 HG23 VAL A 139 92.510 -5.543 -5.901 1.00 4.28 H new ATOM 490 N LEU A 140 93.699 -8.693 -5.798 1.00 5.47 N ATOM 491 CA LEU A 140 92.586 -9.625 -5.940 1.00 6.05 C ATOM 492 C LEU A 140 91.566 -9.434 -4.823 1.00 5.90 C ATOM 493 O LEU A 140 90.391 -9.174 -5.079 1.00 6.13 O ATOM 494 CB LEU A 140 93.096 -11.067 -5.937 1.00 6.51 C ATOM 495 CG LEU A 140 94.401 -11.295 -6.707 1.00 6.81 C ATOM 496 CD1 LEU A 140 95.472 -11.866 -5.790 1.00 6.97 C ATOM 497 CD2 LEU A 140 94.168 -12.219 -7.894 1.00 7.25 C ATOM 0 H LEU A 140 94.396 -8.971 -5.107 1.00 5.47 H new ATOM 0 HA LEU A 140 92.097 -9.421 -6.892 1.00 6.05 H new ATOM 0 HB2 LEU A 140 93.242 -11.383 -4.904 1.00 6.51 H new ATOM 0 HB3 LEU A 140 92.325 -11.710 -6.361 1.00 6.51 H new ATOM 0 HG LEU A 140 94.748 -10.333 -7.083 1.00 6.81 H new ATOM 0 HD11 LEU A 140 96.391 -12.021 -6.356 1.00 6.97 H new ATOM 0 HD12 LEU A 140 95.662 -11.169 -4.974 1.00 6.97 H new ATOM 0 HD13 LEU A 140 95.132 -12.818 -5.382 1.00 6.97 H new ATOM 0 HD21 LEU A 140 95.106 -12.369 -8.428 1.00 7.25 H new ATOM 0 HD22 LEU A 140 93.795 -13.180 -7.539 1.00 7.25 H new ATOM 0 HD23 LEU A 140 93.436 -11.771 -8.566 1.00 7.25 H new ATOM 509 N ARG A 141 92.024 -9.566 -3.582 1.00 5.55 N ATOM 510 CA ARG A 141 91.151 -9.409 -2.425 1.00 5.43 C ATOM 511 C ARG A 141 90.607 -7.987 -2.346 1.00 4.91 C ATOM 512 O ARG A 141 91.059 -7.098 -3.067 1.00 4.67 O ATOM 513 CB ARG A 141 91.907 -9.758 -1.140 1.00 5.30 C ATOM 514 CG ARG A 141 91.340 -10.964 -0.410 1.00 5.88 C ATOM 515 CD ARG A 141 92.059 -11.208 0.908 1.00 6.06 C ATOM 516 NE ARG A 141 92.062 -12.622 1.277 1.00 6.78 N ATOM 517 CZ ARG A 141 92.749 -13.119 2.303 1.00 7.40 C ATOM 518 NH1 ARG A 141 93.488 -12.321 3.064 1.00 7.48 N ATOM 519 NH2 ARG A 141 92.697 -14.417 2.569 1.00 8.19 N ATOM 0 H ARG A 141 92.994 -9.781 -3.352 1.00 5.55 H new ATOM 0 HA ARG A 141 90.309 -10.092 -2.536 1.00 5.43 H new ATOM 0 HB2 ARG A 141 92.952 -9.949 -1.384 1.00 5.30 H new ATOM 0 HB3 ARG A 141 91.888 -8.897 -0.472 1.00 5.30 H new ATOM 0 HG2 ARG A 141 90.277 -10.810 -0.223 1.00 5.88 H new ATOM 0 HG3 ARG A 141 91.428 -11.847 -1.042 1.00 5.88 H new ATOM 0 HD2 ARG A 141 93.086 -10.851 0.832 1.00 6.06 H new ATOM 0 HD3 ARG A 141 91.578 -10.629 1.696 1.00 6.06 H new ATOM 0 HE ARG A 141 91.505 -13.266 0.715 1.00 6.78 H new ATOM 0 HH11 ARG A 141 93.531 -11.322 2.864 1.00 7.48 H new ATOM 0 HH12 ARG A 141 94.012 -12.707 3.849 1.00 7.48 H new ATOM 0 HH21 ARG A 141 92.131 -15.034 1.987 1.00 8.19 H new ATOM 0 HH22 ARG A 141 93.223 -14.798 3.355 1.00 8.19 H new ATOM 533 N GLN A 142 89.634 -7.779 -1.464 1.00 4.81 N ATOM 534 CA GLN A 142 89.029 -6.463 -1.290 1.00 4.34 C ATOM 535 C GLN A 142 90.080 -5.431 -0.894 1.00 3.67 C ATOM 536 O GLN A 142 90.318 -5.196 0.291 1.00 3.42 O ATOM 537 CB GLN A 142 87.927 -6.522 -0.230 1.00 4.40 C ATOM 538 CG GLN A 142 86.540 -6.747 -0.808 1.00 4.74 C ATOM 539 CD GLN A 142 85.518 -7.109 0.253 1.00 5.14 C ATOM 540 OE1 GLN A 142 85.812 -7.084 1.448 1.00 5.41 O ATOM 541 NE2 GLN A 142 84.310 -7.450 -0.181 1.00 5.53 N ATOM 0 H GLN A 142 89.248 -8.504 -0.859 1.00 4.81 H new ATOM 0 HA GLN A 142 88.591 -6.161 -2.241 1.00 4.34 H new ATOM 0 HB2 GLN A 142 88.153 -7.324 0.473 1.00 4.40 H new ATOM 0 HB3 GLN A 142 87.929 -5.591 0.337 1.00 4.40 H new ATOM 0 HG2 GLN A 142 86.216 -5.845 -1.327 1.00 4.74 H new ATOM 0 HG3 GLN A 142 86.585 -7.543 -1.551 1.00 4.74 H new ATOM 0 HE21 GLN A 142 84.111 -7.457 -1.181 1.00 5.53 H new ATOM 0 HE22 GLN A 142 83.582 -7.705 0.486 1.00 5.53 H new ATOM 550 N ALA A 143 90.707 -4.820 -1.894 1.00 3.48 N ATOM 551 CA ALA A 143 91.735 -3.815 -1.652 1.00 2.87 C ATOM 552 C ALA A 143 91.191 -2.660 -0.818 1.00 2.36 C ATOM 553 O ALA A 143 90.055 -2.225 -1.007 1.00 2.50 O ATOM 554 CB ALA A 143 92.290 -3.300 -2.971 1.00 2.98 C ATOM 0 H ALA A 143 90.521 -5.004 -2.880 1.00 3.48 H new ATOM 0 HA ALA A 143 92.541 -4.285 -1.089 1.00 2.87 H new ATOM 0 HB1 ALA A 143 93.057 -2.550 -2.775 1.00 2.98 H new ATOM 0 HB2 ALA A 143 92.726 -4.128 -3.530 1.00 2.98 H new ATOM 0 HB3 ALA A 143 91.485 -2.852 -3.554 1.00 2.98 H new ATOM 560 N LEU A 144 92.011 -2.166 0.102 1.00 1.83 N ATOM 561 CA LEU A 144 91.616 -1.060 0.965 1.00 1.37 C ATOM 562 C LEU A 144 92.058 0.273 0.367 1.00 1.03 C ATOM 563 O LEU A 144 93.252 0.559 0.278 1.00 0.81 O ATOM 564 CB LEU A 144 92.217 -1.238 2.360 1.00 1.36 C ATOM 565 CG LEU A 144 91.613 -2.383 3.179 1.00 1.96 C ATOM 566 CD1 LEU A 144 92.698 -3.342 3.644 1.00 2.41 C ATOM 567 CD2 LEU A 144 90.836 -1.839 4.369 1.00 2.01 C ATOM 0 H LEU A 144 92.955 -2.515 0.270 1.00 1.83 H new ATOM 0 HA LEU A 144 90.529 -1.058 1.047 1.00 1.37 H new ATOM 0 HB2 LEU A 144 93.289 -1.408 2.259 1.00 1.36 H new ATOM 0 HB3 LEU A 144 92.093 -0.308 2.915 1.00 1.36 H new ATOM 0 HG LEU A 144 90.922 -2.932 2.539 1.00 1.96 H new ATOM 0 HD11 LEU A 144 92.247 -4.148 4.224 1.00 2.41 H new ATOM 0 HD12 LEU A 144 93.209 -3.761 2.777 1.00 2.41 H new ATOM 0 HD13 LEU A 144 93.416 -2.806 4.265 1.00 2.41 H new ATOM 0 HD21 LEU A 144 90.415 -2.668 4.938 1.00 2.01 H new ATOM 0 HD22 LEU A 144 91.505 -1.263 5.008 1.00 2.01 H new ATOM 0 HD23 LEU A 144 90.031 -1.196 4.014 1.00 2.01 H new ATOM 579 N ARG A 145 91.087 1.077 -0.054 1.00 1.28 N ATOM 580 CA ARG A 145 91.375 2.373 -0.659 1.00 1.57 C ATOM 581 C ARG A 145 91.090 3.516 0.306 1.00 1.60 C ATOM 582 O ARG A 145 89.941 3.921 0.481 1.00 1.80 O ATOM 583 CB ARG A 145 90.550 2.555 -1.935 1.00 2.20 C ATOM 584 CG ARG A 145 90.795 3.882 -2.636 1.00 2.71 C ATOM 585 CD ARG A 145 89.655 4.859 -2.396 1.00 3.42 C ATOM 586 NE ARG A 145 89.685 5.978 -3.336 1.00 4.11 N ATOM 587 CZ ARG A 145 89.432 5.860 -4.637 1.00 4.73 C ATOM 588 NH1 ARG A 145 89.135 4.675 -5.158 1.00 4.87 N ATOM 589 NH2 ARG A 145 89.478 6.928 -5.421 1.00 5.55 N ATOM 0 H ARG A 145 90.094 0.854 0.013 1.00 1.28 H new ATOM 0 HA ARG A 145 92.437 2.395 -0.906 1.00 1.57 H new ATOM 0 HB2 ARG A 145 90.779 1.742 -2.624 1.00 2.20 H new ATOM 0 HB3 ARG A 145 89.492 2.475 -1.688 1.00 2.20 H new ATOM 0 HG2 ARG A 145 91.729 4.316 -2.279 1.00 2.71 H new ATOM 0 HG3 ARG A 145 90.911 3.713 -3.707 1.00 2.71 H new ATOM 0 HD2 ARG A 145 88.704 4.335 -2.487 1.00 3.42 H new ATOM 0 HD3 ARG A 145 89.713 5.240 -1.377 1.00 3.42 H new ATOM 0 HE ARG A 145 89.913 6.904 -2.973 1.00 4.11 H new ATOM 0 HH11 ARG A 145 89.100 3.849 -4.560 1.00 4.87 H new ATOM 0 HH12 ARG A 145 88.942 4.591 -6.156 1.00 4.87 H new ATOM 0 HH21 ARG A 145 89.707 7.840 -5.027 1.00 5.55 H new ATOM 0 HH22 ARG A 145 89.284 6.837 -6.418 1.00 5.55 H new ATOM 603 N CYS A 146 92.142 4.039 0.924 1.00 1.62 N ATOM 604 CA CYS A 146 91.997 5.142 1.864 1.00 2.03 C ATOM 605 C CYS A 146 91.937 6.470 1.117 1.00 2.66 C ATOM 606 O CYS A 146 92.923 7.204 1.054 1.00 3.02 O ATOM 607 CB CYS A 146 93.155 5.148 2.864 1.00 2.13 C ATOM 608 SG CYS A 146 93.199 6.606 3.959 1.00 2.93 S ATOM 0 H CYS A 146 93.101 3.718 0.792 1.00 1.62 H new ATOM 0 HA CYS A 146 91.065 5.008 2.413 1.00 2.03 H new ATOM 0 HB2 CYS A 146 93.093 4.250 3.478 1.00 2.13 H new ATOM 0 HB3 CYS A 146 94.094 5.094 2.314 1.00 2.13 H new ATOM 613 N ALA A 147 90.773 6.768 0.549 1.00 2.85 N ATOM 614 CA ALA A 147 90.579 8.006 -0.199 1.00 3.50 C ATOM 615 C ALA A 147 90.801 9.238 0.678 1.00 3.94 C ATOM 616 O ALA A 147 90.888 10.357 0.173 1.00 4.50 O ATOM 617 CB ALA A 147 89.184 8.037 -0.806 1.00 3.66 C ATOM 0 H ALA A 147 89.949 6.169 0.592 1.00 2.85 H new ATOM 0 HA ALA A 147 91.321 8.031 -0.997 1.00 3.50 H new ATOM 0 HB1 ALA A 147 89.050 8.965 -1.362 1.00 3.66 H new ATOM 0 HB2 ALA A 147 89.062 7.189 -1.480 1.00 3.66 H new ATOM 0 HB3 ALA A 147 88.440 7.979 -0.011 1.00 3.66 H new ATOM 623 N ASN A 148 90.892 9.032 1.990 1.00 3.77 N ATOM 624 CA ASN A 148 91.103 10.132 2.921 1.00 4.29 C ATOM 625 C ASN A 148 92.497 10.736 2.764 1.00 4.66 C ATOM 626 O ASN A 148 92.727 11.882 3.150 1.00 5.23 O ATOM 627 CB ASN A 148 90.895 9.657 4.361 1.00 4.16 C ATOM 628 CG ASN A 148 89.557 10.092 4.926 1.00 4.33 C ATOM 629 OD1 ASN A 148 88.895 10.973 4.377 1.00 4.72 O ATOM 630 ND2 ASN A 148 89.152 9.476 6.030 1.00 4.26 N ATOM 0 H ASN A 148 90.823 8.114 2.429 1.00 3.77 H new ATOM 0 HA ASN A 148 90.372 10.907 2.691 1.00 4.29 H new ATOM 0 HB2 ASN A 148 90.965 8.570 4.396 1.00 4.16 H new ATOM 0 HB3 ASN A 148 91.696 10.048 4.989 1.00 4.16 H new ATOM 0 HD21 ASN A 148 88.260 9.727 6.456 1.00 4.26 H new ATOM 0 HD22 ASN A 148 89.733 8.751 6.452 1.00 4.26 H new ATOM 637 N CYS A 149 93.428 9.968 2.201 1.00 4.36 N ATOM 638 CA CYS A 149 94.789 10.457 2.010 1.00 4.70 C ATOM 639 C CYS A 149 95.603 9.512 1.131 1.00 4.30 C ATOM 640 O CYS A 149 96.276 9.947 0.197 1.00 4.55 O ATOM 641 CB CYS A 149 95.482 10.634 3.362 1.00 4.97 C ATOM 642 SG CYS A 149 95.217 9.254 4.522 1.00 4.52 S ATOM 0 H CYS A 149 93.267 9.016 1.873 1.00 4.36 H new ATOM 0 HA CYS A 149 94.727 11.421 1.506 1.00 4.70 H new ATOM 0 HB2 CYS A 149 96.553 10.754 3.196 1.00 4.97 H new ATOM 0 HB3 CYS A 149 95.125 11.555 3.823 1.00 4.97 H new ATOM 647 N LYS A 150 95.545 8.222 1.439 1.00 3.72 N ATOM 648 CA LYS A 150 96.287 7.225 0.675 1.00 3.31 C ATOM 649 C LYS A 150 95.525 6.826 -0.593 1.00 3.11 C ATOM 650 O LYS A 150 94.937 7.676 -1.261 1.00 3.57 O ATOM 651 CB LYS A 150 96.584 5.999 1.546 1.00 2.82 C ATOM 652 CG LYS A 150 96.943 6.340 2.984 1.00 3.13 C ATOM 653 CD LYS A 150 98.103 5.492 3.484 1.00 3.04 C ATOM 654 CE LYS A 150 99.440 6.030 2.999 1.00 3.51 C ATOM 655 NZ LYS A 150 100.088 5.110 2.024 1.00 3.78 N ATOM 0 H LYS A 150 94.994 7.842 2.209 1.00 3.72 H new ATOM 0 HA LYS A 150 97.235 7.665 0.366 1.00 3.31 H new ATOM 0 HB2 LYS A 150 95.713 5.344 1.544 1.00 2.82 H new ATOM 0 HB3 LYS A 150 97.405 5.438 1.100 1.00 2.82 H new ATOM 0 HG2 LYS A 150 97.206 7.396 3.054 1.00 3.13 H new ATOM 0 HG3 LYS A 150 96.074 6.184 3.624 1.00 3.13 H new ATOM 0 HD2 LYS A 150 98.094 5.468 4.574 1.00 3.04 H new ATOM 0 HD3 LYS A 150 97.978 4.465 3.141 1.00 3.04 H new ATOM 0 HE2 LYS A 150 99.292 7.005 2.535 1.00 3.51 H new ATOM 0 HE3 LYS A 150 100.102 6.180 3.852 1.00 3.51 H new ATOM 0 HZ1 LYS A 150 100.682 5.659 1.370 1.00 3.78 H new ATOM 0 HZ2 LYS A 150 100.679 4.423 2.535 1.00 3.78 H new ATOM 0 HZ3 LYS A 150 99.356 4.604 1.485 1.00 3.78 H new ATOM 669 N PHE A 151 95.547 5.536 -0.931 1.00 2.55 N ATOM 670 CA PHE A 151 94.868 5.048 -2.128 1.00 2.55 C ATOM 671 C PHE A 151 94.504 3.569 -1.985 1.00 1.94 C ATOM 672 O PHE A 151 94.555 3.014 -0.886 1.00 1.42 O ATOM 673 CB PHE A 151 95.764 5.258 -3.354 1.00 2.96 C ATOM 674 CG PHE A 151 97.232 5.077 -3.072 1.00 2.83 C ATOM 675 CD1 PHE A 151 97.671 4.074 -2.221 1.00 3.04 C ATOM 676 CD2 PHE A 151 98.170 5.911 -3.658 1.00 3.03 C ATOM 677 CE1 PHE A 151 99.018 3.907 -1.961 1.00 3.01 C ATOM 678 CE2 PHE A 151 99.519 5.749 -3.401 1.00 3.01 C ATOM 679 CZ PHE A 151 99.943 4.745 -2.552 1.00 2.77 C ATOM 0 H PHE A 151 96.026 4.814 -0.394 1.00 2.55 H new ATOM 0 HA PHE A 151 93.944 5.612 -2.257 1.00 2.55 H new ATOM 0 HB2 PHE A 151 95.465 4.559 -4.135 1.00 2.96 H new ATOM 0 HB3 PHE A 151 95.600 6.262 -3.745 1.00 2.96 H new ATOM 0 HD1 PHE A 151 96.952 3.416 -1.756 1.00 3.04 H new ATOM 0 HD2 PHE A 151 97.844 6.697 -4.323 1.00 3.03 H new ATOM 0 HE1 PHE A 151 99.347 3.122 -1.296 1.00 3.01 H new ATOM 0 HE2 PHE A 151 100.240 6.407 -3.863 1.00 3.01 H new ATOM 0 HZ PHE A 151 100.996 4.616 -2.351 1.00 2.77 H new ATOM 689 N THR A 152 94.136 2.934 -3.100 1.00 2.17 N ATOM 690 CA THR A 152 93.766 1.521 -3.091 1.00 1.94 C ATOM 691 C THR A 152 94.988 0.635 -2.880 1.00 1.70 C ATOM 692 O THR A 152 95.744 0.364 -3.815 1.00 2.08 O ATOM 693 CB THR A 152 93.073 1.148 -4.403 1.00 2.58 C ATOM 694 OG1 THR A 152 91.949 1.979 -4.631 1.00 3.03 O ATOM 695 CG2 THR A 152 92.597 -0.288 -4.441 1.00 3.09 C ATOM 0 H THR A 152 94.087 3.377 -4.018 1.00 2.17 H new ATOM 0 HA THR A 152 93.078 1.358 -2.262 1.00 1.94 H new ATOM 0 HB THR A 152 93.828 1.284 -5.177 1.00 2.58 H new ATOM 0 HG1 THR A 152 91.521 1.726 -5.475 1.00 3.03 H new ATOM 0 HG21 THR A 152 92.115 -0.486 -5.398 1.00 3.09 H new ATOM 0 HG22 THR A 152 93.449 -0.957 -4.318 1.00 3.09 H new ATOM 0 HG23 THR A 152 91.884 -0.456 -3.634 1.00 3.09 H new ATOM 703 N CYS A 153 95.180 0.192 -1.642 1.00 1.15 N ATOM 704 CA CYS A 153 96.313 -0.658 -1.297 1.00 1.08 C ATOM 705 C CYS A 153 95.890 -2.119 -1.172 1.00 1.56 C ATOM 706 O CYS A 153 94.706 -2.423 -1.028 1.00 1.79 O ATOM 707 CB CYS A 153 96.938 -0.189 0.019 1.00 0.65 C ATOM 708 SG CYS A 153 95.839 -0.325 1.448 1.00 1.44 S ATOM 0 H CYS A 153 94.563 0.409 -0.859 1.00 1.15 H new ATOM 0 HA CYS A 153 97.047 -0.581 -2.099 1.00 1.08 H new ATOM 0 HB2 CYS A 153 97.838 -0.773 0.210 1.00 0.65 H new ATOM 0 HB3 CYS A 153 97.249 0.850 -0.089 1.00 0.65 H new ATOM 0 HG CYS A 153 94.675 0.171 1.149 1.00 1.44 H new ATOM 714 N HIS A 154 96.868 -3.018 -1.213 1.00 1.83 N ATOM 715 CA HIS A 154 96.605 -4.446 -1.090 1.00 2.46 C ATOM 716 C HIS A 154 96.065 -4.766 0.300 1.00 2.58 C ATOM 717 O HIS A 154 96.441 -4.126 1.282 1.00 2.31 O ATOM 718 CB HIS A 154 97.887 -5.244 -1.341 1.00 2.75 C ATOM 719 CG HIS A 154 98.088 -5.645 -2.768 1.00 3.07 C ATOM 720 ND1 HIS A 154 99.240 -5.321 -3.442 1.00 2.93 N ATOM 721 CD2 HIS A 154 97.272 -6.343 -3.594 1.00 3.62 C ATOM 722 CE1 HIS A 154 99.102 -5.824 -4.655 1.00 3.41 C ATOM 723 NE2 HIS A 154 97.925 -6.453 -4.795 1.00 3.84 N ATOM 0 H HIS A 154 97.853 -2.781 -1.331 1.00 1.83 H new ATOM 0 HA HIS A 154 95.860 -4.725 -1.834 1.00 2.46 H new ATOM 0 HB2 HIS A 154 98.741 -4.649 -1.018 1.00 2.75 H new ATOM 0 HB3 HIS A 154 97.871 -6.141 -0.722 1.00 2.75 H new ATOM 0 HD2 HIS A 154 96.296 -6.737 -3.353 1.00 3.62 H new ATOM 0 HE1 HIS A 154 99.843 -5.740 -5.436 1.00 3.41 H new ATOM 0 HE2 HIS A 154 97.582 -6.922 -5.633 1.00 3.84 H new ATOM 731 N SER A 155 95.183 -5.756 0.380 1.00 3.15 N ATOM 732 CA SER A 155 94.597 -6.152 1.656 1.00 3.45 C ATOM 733 C SER A 155 95.679 -6.473 2.683 1.00 3.60 C ATOM 734 O SER A 155 95.721 -5.881 3.762 1.00 3.51 O ATOM 735 CB SER A 155 93.683 -7.364 1.466 1.00 4.13 C ATOM 736 OG SER A 155 92.575 -7.310 2.347 1.00 4.55 O ATOM 0 H SER A 155 94.859 -6.298 -0.421 1.00 3.15 H new ATOM 0 HA SER A 155 94.009 -5.314 2.029 1.00 3.45 H new ATOM 0 HB2 SER A 155 93.331 -7.400 0.435 1.00 4.13 H new ATOM 0 HB3 SER A 155 94.247 -8.280 1.642 1.00 4.13 H new ATOM 0 HG SER A 155 92.005 -8.095 2.205 1.00 4.55 H new ATOM 742 N GLU A 156 96.551 -7.417 2.342 1.00 3.95 N ATOM 743 CA GLU A 156 97.631 -7.823 3.234 1.00 4.23 C ATOM 744 C GLU A 156 98.664 -6.711 3.411 1.00 3.74 C ATOM 745 O GLU A 156 99.462 -6.742 4.348 1.00 3.99 O ATOM 746 CB GLU A 156 98.314 -9.083 2.696 1.00 4.71 C ATOM 747 CG GLU A 156 97.479 -10.343 2.856 1.00 5.09 C ATOM 748 CD GLU A 156 98.180 -11.578 2.326 1.00 5.71 C ATOM 749 OE1 GLU A 156 98.324 -11.695 1.091 1.00 5.93 O ATOM 750 OE2 GLU A 156 98.584 -12.429 3.147 1.00 6.25 O ATOM 0 H GLU A 156 96.530 -7.916 1.452 1.00 3.95 H new ATOM 0 HA GLU A 156 97.192 -8.034 4.209 1.00 4.23 H new ATOM 0 HB2 GLU A 156 98.542 -8.940 1.640 1.00 4.71 H new ATOM 0 HB3 GLU A 156 99.265 -9.219 3.212 1.00 4.71 H new ATOM 0 HG2 GLU A 156 97.244 -10.487 3.911 1.00 5.09 H new ATOM 0 HG3 GLU A 156 96.531 -10.215 2.333 1.00 5.09 H new ATOM 757 N CYS A 157 98.652 -5.732 2.510 1.00 3.14 N ATOM 758 CA CYS A 157 99.597 -4.622 2.581 1.00 2.69 C ATOM 759 C CYS A 157 99.139 -3.565 3.582 1.00 2.60 C ATOM 760 O CYS A 157 99.949 -2.791 4.090 1.00 2.65 O ATOM 761 CB CYS A 157 99.777 -3.984 1.203 1.00 2.15 C ATOM 762 SG CYS A 157 101.041 -4.792 0.165 1.00 2.27 S ATOM 0 H CYS A 157 98.001 -5.685 1.726 1.00 3.14 H new ATOM 0 HA CYS A 157 100.552 -5.024 2.919 1.00 2.69 H new ATOM 0 HB2 CYS A 157 98.823 -4.006 0.677 1.00 2.15 H new ATOM 0 HB3 CYS A 157 100.045 -2.935 1.333 1.00 2.15 H new ATOM 767 N ARG A 158 97.838 -3.530 3.860 1.00 2.60 N ATOM 768 CA ARG A 158 97.288 -2.557 4.798 1.00 2.64 C ATOM 769 C ARG A 158 97.967 -2.668 6.162 1.00 3.22 C ATOM 770 O ARG A 158 98.209 -1.662 6.829 1.00 3.32 O ATOM 771 CB ARG A 158 95.769 -2.737 4.932 1.00 2.75 C ATOM 772 CG ARG A 158 95.347 -3.796 5.942 1.00 3.08 C ATOM 773 CD ARG A 158 95.132 -3.193 7.321 1.00 3.52 C ATOM 774 NE ARG A 158 95.151 -4.206 8.374 1.00 4.04 N ATOM 775 CZ ARG A 158 94.100 -4.954 8.703 1.00 4.55 C ATOM 776 NH1 ARG A 158 92.948 -4.813 8.060 1.00 4.74 N ATOM 777 NH2 ARG A 158 94.203 -5.847 9.678 1.00 5.25 N ATOM 0 H ARG A 158 97.149 -4.161 3.451 1.00 2.60 H new ATOM 0 HA ARG A 158 97.484 -1.559 4.405 1.00 2.64 H new ATOM 0 HB2 ARG A 158 95.326 -1.783 5.218 1.00 2.75 H new ATOM 0 HB3 ARG A 158 95.359 -2.999 3.957 1.00 2.75 H new ATOM 0 HG2 ARG A 158 94.428 -4.276 5.606 1.00 3.08 H new ATOM 0 HG3 ARG A 158 96.110 -4.572 5.998 1.00 3.08 H new ATOM 0 HD2 ARG A 158 95.907 -2.453 7.517 1.00 3.52 H new ATOM 0 HD3 ARG A 158 94.177 -2.668 7.341 1.00 3.52 H new ATOM 0 HE ARG A 158 96.021 -4.348 8.887 1.00 4.04 H new ATOM 0 HH11 ARG A 158 92.864 -4.128 7.309 1.00 4.74 H new ATOM 0 HH12 ARG A 158 92.147 -5.389 8.317 1.00 4.74 H new ATOM 0 HH21 ARG A 158 95.087 -5.960 10.175 1.00 5.25 H new ATOM 0 HH22 ARG A 158 93.399 -6.421 9.931 1.00 5.25 H new ATOM 791 N SER A 159 98.275 -3.896 6.568 1.00 3.70 N ATOM 792 CA SER A 159 98.927 -4.134 7.850 1.00 4.29 C ATOM 793 C SER A 159 100.340 -3.558 7.855 1.00 4.28 C ATOM 794 O SER A 159 100.881 -3.224 8.909 1.00 4.70 O ATOM 795 CB SER A 159 98.974 -5.633 8.153 1.00 4.82 C ATOM 796 OG SER A 159 97.845 -6.036 8.910 1.00 5.30 O ATOM 0 H SER A 159 98.084 -4.740 6.028 1.00 3.70 H new ATOM 0 HA SER A 159 98.346 -3.633 8.624 1.00 4.29 H new ATOM 0 HB2 SER A 159 99.009 -6.195 7.220 1.00 4.82 H new ATOM 0 HB3 SER A 159 99.886 -5.868 8.701 1.00 4.82 H new ATOM 0 HG SER A 159 97.898 -6.998 9.089 1.00 5.30 H new ATOM 802 N LEU A 160 100.931 -3.444 6.670 1.00 3.88 N ATOM 803 CA LEU A 160 102.280 -2.907 6.538 1.00 3.92 C ATOM 804 C LEU A 160 102.269 -1.380 6.553 1.00 3.73 C ATOM 805 O LEU A 160 103.282 -0.748 6.848 1.00 3.91 O ATOM 806 CB LEU A 160 102.926 -3.412 5.246 1.00 3.69 C ATOM 807 CG LEU A 160 103.462 -4.844 5.307 1.00 4.03 C ATOM 808 CD1 LEU A 160 102.363 -5.841 4.976 1.00 4.52 C ATOM 809 CD2 LEU A 160 104.639 -5.011 4.358 1.00 4.24 C ATOM 0 H LEU A 160 100.497 -3.716 5.788 1.00 3.88 H new ATOM 0 HA LEU A 160 102.865 -3.253 7.390 1.00 3.92 H new ATOM 0 HB2 LEU A 160 102.193 -3.349 4.442 1.00 3.69 H new ATOM 0 HB3 LEU A 160 103.746 -2.744 4.983 1.00 3.69 H new ATOM 0 HG LEU A 160 103.807 -5.040 6.322 1.00 4.03 H new ATOM 0 HD11 LEU A 160 102.764 -6.854 5.025 1.00 4.52 H new ATOM 0 HD12 LEU A 160 101.550 -5.738 5.694 1.00 4.52 H new ATOM 0 HD13 LEU A 160 101.987 -5.648 3.971 1.00 4.52 H new ATOM 0 HD21 LEU A 160 105.009 -6.035 4.413 1.00 4.24 H new ATOM 0 HD22 LEU A 160 104.318 -4.796 3.339 1.00 4.24 H new ATOM 0 HD23 LEU A 160 105.435 -4.322 4.641 1.00 4.24 H new ATOM 821 N ILE A 161 101.118 -0.793 6.233 1.00 3.49 N ATOM 822 CA ILE A 161 100.984 0.659 6.212 1.00 3.48 C ATOM 823 C ILE A 161 100.618 1.197 7.592 1.00 3.99 C ATOM 824 O ILE A 161 99.456 1.158 7.996 1.00 4.01 O ATOM 825 CB ILE A 161 99.916 1.111 5.198 1.00 2.98 C ATOM 826 CG1 ILE A 161 100.150 0.440 3.844 1.00 2.67 C ATOM 827 CG2 ILE A 161 99.928 2.626 5.054 1.00 3.22 C ATOM 828 CD1 ILE A 161 98.947 0.493 2.927 1.00 2.23 C ATOM 0 H ILE A 161 100.268 -1.300 5.986 1.00 3.49 H new ATOM 0 HA ILE A 161 101.952 1.061 5.912 1.00 3.48 H new ATOM 0 HB ILE A 161 98.936 0.809 5.567 1.00 2.98 H new ATOM 0 HG12 ILE A 161 100.994 0.921 3.350 1.00 2.67 H new ATOM 0 HG13 ILE A 161 100.427 -0.602 4.007 1.00 2.67 H new ATOM 0 HG21 ILE A 161 99.168 2.929 4.334 1.00 3.22 H new ATOM 0 HG22 ILE A 161 99.717 3.085 6.020 1.00 3.22 H new ATOM 0 HG23 ILE A 161 100.908 2.951 4.705 1.00 3.22 H new ATOM 0 HD11 ILE A 161 99.185 -0.002 1.985 1.00 2.23 H new ATOM 0 HD12 ILE A 161 98.106 -0.014 3.400 1.00 2.23 H new ATOM 0 HD13 ILE A 161 98.682 1.533 2.734 1.00 2.23 H new ATOM 840 N GLN A 162 101.618 1.699 8.309 1.00 4.48 N ATOM 841 CA GLN A 162 101.402 2.246 9.644 1.00 5.05 C ATOM 842 C GLN A 162 101.417 3.771 9.617 1.00 5.29 C ATOM 843 O GLN A 162 101.855 4.414 10.571 1.00 5.86 O ATOM 844 CB GLN A 162 102.475 1.732 10.607 1.00 5.62 C ATOM 845 CG GLN A 162 102.675 0.227 10.548 1.00 5.84 C ATOM 846 CD GLN A 162 103.800 -0.247 11.448 1.00 6.43 C ATOM 847 OE1 GLN A 162 104.347 0.525 12.235 1.00 6.88 O ATOM 848 NE2 GLN A 162 104.150 -1.523 11.335 1.00 6.74 N ATOM 0 H GLN A 162 102.585 1.738 7.988 1.00 4.48 H new ATOM 0 HA GLN A 162 100.422 1.916 9.990 1.00 5.05 H new ATOM 0 HB2 GLN A 162 103.421 2.225 10.381 1.00 5.62 H new ATOM 0 HB3 GLN A 162 102.204 2.014 11.624 1.00 5.62 H new ATOM 0 HG2 GLN A 162 101.749 -0.271 10.837 1.00 5.84 H new ATOM 0 HG3 GLN A 162 102.888 -0.068 9.520 1.00 5.84 H new ATOM 0 HE21 GLN A 162 103.669 -2.127 10.669 1.00 6.74 H new ATOM 0 HE22 GLN A 162 104.900 -1.899 11.915 1.00 6.74 H new ATOM 857 N LEU A 163 100.936 4.343 8.518 1.00 5.08 N ATOM 858 CA LEU A 163 100.895 5.793 8.366 1.00 5.48 C ATOM 859 C LEU A 163 99.600 6.365 8.932 1.00 5.42 C ATOM 860 O LEU A 163 98.557 5.711 8.906 1.00 5.30 O ATOM 861 CB LEU A 163 101.032 6.176 6.891 1.00 5.84 C ATOM 862 CG LEU A 163 102.460 6.149 6.345 1.00 6.49 C ATOM 863 CD1 LEU A 163 102.803 4.765 5.816 1.00 6.93 C ATOM 864 CD2 LEU A 163 102.632 7.195 5.254 1.00 7.16 C ATOM 0 H LEU A 163 100.569 3.825 7.720 1.00 5.08 H new ATOM 0 HA LEU A 163 101.731 6.214 8.924 1.00 5.48 H new ATOM 0 HB2 LEU A 163 100.419 5.498 6.297 1.00 5.84 H new ATOM 0 HB3 LEU A 163 100.625 7.178 6.752 1.00 5.84 H new ATOM 0 HG LEU A 163 103.145 6.385 7.160 1.00 6.49 H new ATOM 0 HD11 LEU A 163 103.823 4.765 5.432 1.00 6.93 H new ATOM 0 HD12 LEU A 163 102.719 4.036 6.622 1.00 6.93 H new ATOM 0 HD13 LEU A 163 102.113 4.501 5.015 1.00 6.93 H new ATOM 0 HD21 LEU A 163 103.654 7.162 4.876 1.00 7.16 H new ATOM 0 HD22 LEU A 163 101.937 6.989 4.440 1.00 7.16 H new ATOM 0 HD23 LEU A 163 102.428 8.184 5.663 1.00 7.16 H new ATOM 876 N ASP A 164 99.673 7.590 9.443 1.00 5.70 N ATOM 877 CA ASP A 164 98.506 8.251 10.015 1.00 5.90 C ATOM 878 C ASP A 164 97.729 9.003 8.941 1.00 5.70 C ATOM 879 O ASP A 164 98.290 9.410 7.924 1.00 5.60 O ATOM 880 CB ASP A 164 98.933 9.216 11.123 1.00 6.52 C ATOM 881 CG ASP A 164 99.528 8.498 12.318 1.00 6.96 C ATOM 882 OD1 ASP A 164 99.281 7.283 12.464 1.00 7.14 O ATOM 883 OD2 ASP A 164 100.243 9.151 13.107 1.00 7.37 O ATOM 0 H ASP A 164 100.528 8.145 9.472 1.00 5.70 H new ATOM 0 HA ASP A 164 97.856 7.486 10.440 1.00 5.90 H new ATOM 0 HB2 ASP A 164 99.663 9.921 10.726 1.00 6.52 H new ATOM 0 HB3 ASP A 164 98.070 9.799 11.446 1.00 6.52 H new ATOM 888 N CYS A 165 96.433 9.186 9.173 1.00 5.72 N ATOM 889 CA CYS A 165 95.581 9.889 8.223 1.00 5.63 C ATOM 890 C CYS A 165 96.058 11.321 8.021 1.00 6.21 C ATOM 891 O CYS A 165 95.897 12.172 8.895 1.00 6.72 O ATOM 892 CB CYS A 165 94.131 9.885 8.700 1.00 5.57 C ATOM 893 SG CYS A 165 92.906 9.816 7.353 1.00 4.81 S ATOM 0 H CYS A 165 95.951 8.857 10.010 1.00 5.72 H new ATOM 0 HA CYS A 165 95.641 9.367 7.268 1.00 5.63 H new ATOM 0 HB2 CYS A 165 93.979 9.030 9.359 1.00 5.57 H new ATOM 0 HB3 CYS A 165 93.952 10.781 9.294 1.00 5.57 H new ATOM 898 N ARG A 166 96.645 11.573 6.861 1.00 6.18 N ATOM 899 CA ARG A 166 97.152 12.899 6.529 1.00 6.77 C ATOM 900 C ARG A 166 96.012 13.905 6.413 1.00 7.03 C ATOM 901 O ARG A 166 96.272 15.115 6.581 1.00 7.30 O ATOM 902 CB ARG A 166 97.942 12.853 5.220 1.00 6.71 C ATOM 903 CG ARG A 166 99.064 11.825 5.222 1.00 6.68 C ATOM 904 CD ARG A 166 100.407 12.461 4.901 1.00 6.99 C ATOM 905 NE ARG A 166 101.491 11.481 4.901 1.00 7.38 N ATOM 906 CZ ARG A 166 101.739 10.650 3.891 1.00 7.72 C ATOM 907 NH1 ARG A 166 100.984 10.676 2.800 1.00 7.76 N ATOM 908 NH2 ARG A 166 102.746 9.791 3.973 1.00 8.29 N ATOM 909 OXT ARG A 166 94.868 13.474 6.154 1.00 7.17 O ATOM 0 H ARG A 166 96.783 10.875 6.130 1.00 6.18 H new ATOM 0 HA ARG A 166 97.814 13.219 7.334 1.00 6.77 H new ATOM 0 HB2 ARG A 166 97.259 12.631 4.400 1.00 6.71 H new ATOM 0 HB3 ARG A 166 98.364 13.839 5.025 1.00 6.71 H new ATOM 0 HG2 ARG A 166 99.114 11.342 6.198 1.00 6.68 H new ATOM 0 HG3 ARG A 166 98.846 11.046 4.491 1.00 6.68 H new ATOM 0 HD2 ARG A 166 100.355 12.944 3.925 1.00 6.99 H new ATOM 0 HD3 ARG A 166 100.623 13.240 5.632 1.00 6.99 H new ATOM 0 HE ARG A 166 102.093 11.431 5.723 1.00 7.38 H new ATOM 0 HH11 ARG A 166 100.209 11.335 2.732 1.00 7.76 H new ATOM 0 HH12 ARG A 166 101.179 10.037 2.029 1.00 7.76 H new ATOM 0 HH21 ARG A 166 103.329 9.768 4.809 1.00 8.29 H new ATOM 0 HH22 ARG A 166 102.937 9.154 3.200 1.00 8.29 H new TER 923 ARG A 166 HETATM 924 ZN ZN A 1 100.619 -4.279 -2.041 1.00 2.13 ZN HETATM 925 ZN ZN A 2 93.510 8.103 5.941 1.00 4.05 ZN