USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 149 THR OG1 : rot -173:sc= 1.07 USER MOD Set 1.2: A 151 THR OG1 : rot 75:sc= -0.559 USER MOD Single : A 116 THR OG1 : rot 50:sc= 0.208! USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -1.58 K(o=-1.6,f=-9.1!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 55:sc= -0.281! USER MOD Single : A 134 SER OG : rot 137:sc= 0.783! USER MOD Single : A 135 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0.00681 USER MOD Single : A 142 ASN : amide:sc= -0.0237 K(o=-0.024,f=-0.91) USER MOD Single : A 143 GLN : amide:sc= -1.55 K(o=-1.5,f=-1) USER MOD Single : A 148 MET CE :methyl -135:sc= -1.14 (180deg=-4.6!) USER MOD Single : A 155 THR OG1 : rot 180:sc= -0.0449 USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 159 THR OG1 : rot 82:sc= -0.459! USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 168 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 113 -11.636 19.749 -4.623 1.00 0.00 N ATOM 2 CA ARG A 113 -12.336 20.158 -5.877 1.00 0.00 C ATOM 3 C ARG A 113 -11.434 21.069 -6.715 1.00 0.00 C ATOM 4 O ARG A 113 -11.314 20.907 -7.914 1.00 0.00 O ATOM 5 CB ARG A 113 -13.577 20.919 -5.411 1.00 0.00 C ATOM 6 CG ARG A 113 -14.423 21.306 -6.624 1.00 0.00 C ATOM 7 CD ARG A 113 -15.890 21.410 -6.205 1.00 0.00 C ATOM 8 NE ARG A 113 -16.281 22.813 -6.511 1.00 0.00 N ATOM 9 CZ ARG A 113 -17.471 23.239 -6.188 1.00 0.00 C ATOM 10 NH1 ARG A 113 -17.855 23.216 -4.942 1.00 0.00 N ATOM 11 NH2 ARG A 113 -18.278 23.684 -7.112 1.00 0.00 N ATOM 0 HA ARG A 113 -12.593 19.302 -6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.161 20.301 -4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.283 21.812 -4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.081 22.257 -7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.310 20.562 -7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -16.508 20.700 -6.754 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -16.014 21.188 -5.145 1.00 0.00 H new ATOM 0 HE ARG A 113 -15.621 23.439 -6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -17.225 22.865 -4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -18.785 23.549 -4.689 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -17.978 23.699 -8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -19.208 24.017 -6.859 1.00 0.00 H new ATOM 27 N ILE A 114 -10.799 22.026 -6.095 1.00 0.00 N ATOM 28 CA ILE A 114 -9.905 22.945 -6.858 1.00 0.00 C ATOM 29 C ILE A 114 -8.593 23.155 -6.099 1.00 0.00 C ATOM 30 O ILE A 114 -8.585 23.545 -4.949 1.00 0.00 O ATOM 31 CB ILE A 114 -10.680 24.259 -6.963 1.00 0.00 C ATOM 32 CG1 ILE A 114 -11.103 24.715 -5.564 1.00 0.00 C ATOM 33 CG2 ILE A 114 -11.923 24.050 -7.827 1.00 0.00 C ATOM 34 CD1 ILE A 114 -11.962 25.977 -5.677 1.00 0.00 C ATOM 0 H ILE A 114 -10.860 22.212 -5.094 1.00 0.00 H new ATOM 0 HA ILE A 114 -9.645 22.547 -7.839 1.00 0.00 H new ATOM 0 HB ILE A 114 -10.045 25.020 -7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -11.664 23.924 -5.066 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -10.223 24.915 -4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -12.476 24.987 -7.902 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.623 23.725 -8.823 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -12.558 23.289 -7.373 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -12.264 26.302 -4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -11.386 26.767 -6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -12.849 25.761 -6.272 1.00 0.00 H new ATOM 46 N GLU A 115 -7.485 22.900 -6.736 1.00 0.00 N ATOM 47 CA GLU A 115 -6.174 23.085 -6.053 1.00 0.00 C ATOM 48 C GLU A 115 -5.096 23.460 -7.074 1.00 0.00 C ATOM 49 O GLU A 115 -5.358 23.563 -8.256 1.00 0.00 O ATOM 50 CB GLU A 115 -5.866 21.730 -5.417 1.00 0.00 C ATOM 51 CG GLU A 115 -6.000 20.628 -6.469 1.00 0.00 C ATOM 52 CD GLU A 115 -7.421 20.064 -6.439 1.00 0.00 C ATOM 53 OE1 GLU A 115 -8.005 20.039 -5.369 1.00 0.00 O ATOM 54 OE2 GLU A 115 -7.902 19.668 -7.488 1.00 0.00 O ATOM 0 H GLU A 115 -7.430 22.571 -7.700 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.201 23.885 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -4.857 21.732 -5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -6.549 21.542 -4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.776 21.026 -7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -5.278 19.835 -6.274 1.00 0.00 H new ATOM 61 N THR A 116 -3.888 23.668 -6.628 1.00 0.00 N ATOM 62 CA THR A 116 -2.798 24.039 -7.577 1.00 0.00 C ATOM 63 C THR A 116 -2.565 22.909 -8.584 1.00 0.00 C ATOM 64 O THR A 116 -3.408 22.055 -8.780 1.00 0.00 O ATOM 65 CB THR A 116 -1.560 24.245 -6.702 1.00 0.00 C ATOM 66 OG1 THR A 116 -0.433 24.488 -7.532 1.00 0.00 O ATOM 67 CG2 THR A 116 -1.316 22.994 -5.857 1.00 0.00 C ATOM 0 H THR A 116 -3.608 23.598 -5.650 1.00 0.00 H new ATOM 0 HA THR A 116 -3.040 24.932 -8.154 1.00 0.00 H new ATOM 0 HB THR A 116 -1.717 25.099 -6.043 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.650 25.188 -8.182 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.434 23.142 -5.234 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.182 22.810 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.158 22.137 -6.512 1.00 0.00 H new ATOM 75 N ASP A 117 -1.429 22.898 -9.225 1.00 0.00 N ATOM 76 CA ASP A 117 -1.143 21.824 -10.221 1.00 0.00 C ATOM 77 C ASP A 117 -0.283 20.727 -9.588 1.00 0.00 C ATOM 78 O ASP A 117 0.082 20.800 -8.431 1.00 0.00 O ATOM 79 CB ASP A 117 -0.377 22.520 -11.346 1.00 0.00 C ATOM 80 CG ASP A 117 -1.337 22.855 -12.488 1.00 0.00 C ATOM 81 OD1 ASP A 117 -1.904 21.932 -13.048 1.00 0.00 O ATOM 82 OD2 ASP A 117 -1.487 24.030 -12.783 1.00 0.00 O ATOM 0 H ASP A 117 -0.686 23.586 -9.103 1.00 0.00 H new ATOM 0 HA ASP A 117 -2.053 21.345 -10.581 1.00 0.00 H new ATOM 0 HB2 ASP A 117 0.091 23.430 -10.972 1.00 0.00 H new ATOM 0 HB3 ASP A 117 0.424 21.875 -11.708 1.00 0.00 H new ATOM 87 N GLU A 118 0.047 19.713 -10.341 1.00 0.00 N ATOM 88 CA GLU A 118 0.886 18.613 -9.785 1.00 0.00 C ATOM 89 C GLU A 118 1.393 17.715 -10.917 1.00 0.00 C ATOM 90 O GLU A 118 0.716 17.507 -11.905 1.00 0.00 O ATOM 91 CB GLU A 118 -0.044 17.830 -8.858 1.00 0.00 C ATOM 92 CG GLU A 118 0.686 16.596 -8.325 1.00 0.00 C ATOM 93 CD GLU A 118 -0.171 15.919 -7.253 1.00 0.00 C ATOM 94 OE1 GLU A 118 -1.384 15.999 -7.355 1.00 0.00 O ATOM 95 OE2 GLU A 118 0.400 15.334 -6.349 1.00 0.00 O ATOM 0 H GLU A 118 -0.228 19.599 -11.317 1.00 0.00 H new ATOM 0 HA GLU A 118 1.762 18.989 -9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -0.365 18.462 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.943 17.529 -9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 118 0.887 15.899 -9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.651 16.883 -7.907 1.00 0.00 H new ATOM 102 N ARG A 119 2.576 17.183 -10.785 1.00 0.00 N ATOM 103 CA ARG A 119 3.117 16.303 -11.859 1.00 0.00 C ATOM 104 C ARG A 119 4.535 15.844 -11.511 1.00 0.00 C ATOM 105 O ARG A 119 5.322 16.588 -10.960 1.00 0.00 O ATOM 106 CB ARG A 119 3.132 17.177 -13.113 1.00 0.00 C ATOM 107 CG ARG A 119 2.296 16.514 -14.210 1.00 0.00 C ATOM 108 CD ARG A 119 3.146 15.471 -14.939 1.00 0.00 C ATOM 109 NE ARG A 119 2.389 15.158 -16.182 1.00 0.00 N ATOM 110 CZ ARG A 119 2.899 14.350 -17.070 1.00 0.00 C ATOM 111 NH1 ARG A 119 3.028 13.081 -16.797 1.00 0.00 N ATOM 112 NH2 ARG A 119 3.279 14.809 -18.230 1.00 0.00 N ATOM 0 H ARG A 119 3.191 17.319 -9.982 1.00 0.00 H new ATOM 0 HA ARG A 119 2.518 15.402 -11.992 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.733 18.165 -12.885 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.156 17.319 -13.458 1.00 0.00 H new ATOM 0 HG2 ARG A 119 1.415 16.041 -13.775 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.940 17.265 -14.915 1.00 0.00 H new ATOM 0 HD2 ARG A 119 4.138 15.861 -15.168 1.00 0.00 H new ATOM 0 HD3 ARG A 119 3.287 14.580 -14.328 1.00 0.00 H new ATOM 0 HE ARG A 119 1.472 15.575 -16.339 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.730 12.722 -15.890 1.00 0.00 H new ATOM 0 HH12 ARG A 119 3.427 12.448 -17.490 1.00 0.00 H new ATOM 0 HH21 ARG A 119 3.178 15.801 -18.444 1.00 0.00 H new ATOM 0 HH22 ARG A 119 3.678 14.176 -18.923 1.00 0.00 H new ATOM 126 N ASP A 120 4.865 14.623 -11.829 1.00 0.00 N ATOM 127 CA ASP A 120 6.232 14.111 -11.521 1.00 0.00 C ATOM 128 C ASP A 120 6.663 14.556 -10.120 1.00 0.00 C ATOM 129 O ASP A 120 7.504 15.419 -9.964 1.00 0.00 O ATOM 130 CB ASP A 120 7.136 14.735 -12.584 1.00 0.00 C ATOM 131 CG ASP A 120 8.417 13.908 -12.714 1.00 0.00 C ATOM 132 OD1 ASP A 120 8.410 12.961 -13.483 1.00 0.00 O ATOM 133 OD2 ASP A 120 9.381 14.236 -12.044 1.00 0.00 O ATOM 0 H ASP A 120 4.246 13.956 -12.290 1.00 0.00 H new ATOM 0 HA ASP A 120 6.278 13.022 -11.534 1.00 0.00 H new ATOM 0 HB2 ASP A 120 6.616 14.773 -13.541 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.380 15.762 -12.312 1.00 0.00 H new ATOM 138 N SER A 121 6.096 13.971 -9.101 1.00 0.00 N ATOM 139 CA SER A 121 6.476 14.356 -7.711 1.00 0.00 C ATOM 140 C SER A 121 7.034 13.141 -6.964 1.00 0.00 C ATOM 141 O SER A 121 6.623 12.021 -7.188 1.00 0.00 O ATOM 142 CB SER A 121 5.177 14.833 -7.061 1.00 0.00 C ATOM 143 OG SER A 121 4.588 15.840 -7.874 1.00 0.00 O ATOM 0 H SER A 121 5.385 13.242 -9.170 1.00 0.00 H new ATOM 0 HA SER A 121 7.247 15.126 -7.691 1.00 0.00 H new ATOM 0 HB2 SER A 121 4.488 13.997 -6.941 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.378 15.225 -6.064 1.00 0.00 H new ATOM 0 HG SER A 121 3.754 16.147 -7.461 1.00 0.00 H new ATOM 149 N THR A 122 7.972 13.354 -6.082 1.00 0.00 N ATOM 150 CA THR A 122 8.556 12.208 -5.326 1.00 0.00 C ATOM 151 C THR A 122 8.486 12.475 -3.820 1.00 0.00 C ATOM 152 O THR A 122 9.476 12.393 -3.119 1.00 0.00 O ATOM 153 CB THR A 122 10.010 12.131 -5.793 1.00 0.00 C ATOM 154 OG1 THR A 122 10.578 13.433 -5.785 1.00 0.00 O ATOM 155 CG2 THR A 122 10.061 11.557 -7.208 1.00 0.00 C ATOM 0 H THR A 122 8.359 14.269 -5.852 1.00 0.00 H new ATOM 0 HA THR A 122 8.019 11.276 -5.505 1.00 0.00 H new ATOM 0 HB THR A 122 10.575 11.485 -5.121 1.00 0.00 H new ATOM 0 HG1 THR A 122 11.511 13.385 -6.082 1.00 0.00 H new ATOM 0 HG21 THR A 122 11.097 11.502 -7.541 1.00 0.00 H new ATOM 0 HG22 THR A 122 9.625 10.558 -7.211 1.00 0.00 H new ATOM 0 HG23 THR A 122 9.497 12.201 -7.882 1.00 0.00 H new ATOM 163 N ASN A 123 7.324 12.790 -3.317 1.00 0.00 N ATOM 164 CA ASN A 123 7.193 13.058 -1.857 1.00 0.00 C ATOM 165 C ASN A 123 6.388 11.941 -1.186 1.00 0.00 C ATOM 166 O ASN A 123 5.758 12.143 -0.168 1.00 0.00 O ATOM 167 CB ASN A 123 6.443 14.387 -1.765 1.00 0.00 C ATOM 168 CG ASN A 123 7.222 15.469 -2.515 1.00 0.00 C ATOM 169 OD1 ASN A 123 8.175 15.177 -3.210 1.00 0.00 O ATOM 170 ND2 ASN A 123 6.854 16.715 -2.403 1.00 0.00 N ATOM 0 H ASN A 123 6.460 12.873 -3.853 1.00 0.00 H new ATOM 0 HA ASN A 123 8.160 13.099 -1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 123 5.445 14.283 -2.190 1.00 0.00 H new ATOM 0 HB3 ASN A 123 6.317 14.673 -0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 123 7.366 17.445 -2.899 1.00 0.00 H new ATOM 0 HD22 ASN A 123 6.054 16.960 -1.820 1.00 0.00 H new ATOM 177 N ARG A 124 6.402 10.764 -1.752 1.00 0.00 N ATOM 178 CA ARG A 124 5.633 9.638 -1.145 1.00 0.00 C ATOM 179 C ARG A 124 6.206 8.294 -1.606 1.00 0.00 C ATOM 180 O ARG A 124 6.082 7.915 -2.754 1.00 0.00 O ATOM 181 CB ARG A 124 4.199 9.812 -1.649 1.00 0.00 C ATOM 182 CG ARG A 124 4.215 10.179 -3.136 1.00 0.00 C ATOM 183 CD ARG A 124 2.876 9.798 -3.771 1.00 0.00 C ATOM 184 NE ARG A 124 2.488 10.980 -4.591 1.00 0.00 N ATOM 185 CZ ARG A 124 2.452 10.889 -5.892 1.00 0.00 C ATOM 186 NH1 ARG A 124 3.560 10.937 -6.580 1.00 0.00 N ATOM 187 NH2 ARG A 124 1.309 10.750 -6.506 1.00 0.00 N ATOM 0 H ARG A 124 6.911 10.533 -2.606 1.00 0.00 H new ATOM 0 HA ARG A 124 5.683 9.648 -0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.636 8.891 -1.498 1.00 0.00 H new ATOM 0 HB3 ARG A 124 3.695 10.591 -1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.395 11.247 -3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 124 5.030 9.660 -3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.972 8.904 -4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 124 2.126 9.582 -3.010 1.00 0.00 H new ATOM 0 HE ARG A 124 2.250 11.861 -4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.454 11.046 -6.101 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.532 10.866 -7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.443 10.712 -5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.282 10.679 -7.523 1.00 0.00 H new ATOM 201 N ALA A 125 6.830 7.571 -0.716 1.00 0.00 N ATOM 202 CA ALA A 125 7.410 6.251 -1.097 1.00 0.00 C ATOM 203 C ALA A 125 7.976 5.547 0.139 1.00 0.00 C ATOM 204 O ALA A 125 7.679 5.906 1.261 1.00 0.00 O ATOM 205 CB ALA A 125 8.528 6.582 -2.086 1.00 0.00 C ATOM 0 H ALA A 125 6.963 7.838 0.259 1.00 0.00 H new ATOM 0 HA ALA A 125 6.667 5.582 -1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.007 5.660 -2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.109 7.102 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 125 9.266 7.221 -1.601 1.00 0.00 H new ATOM 211 N SER A 126 8.791 4.548 -0.058 1.00 0.00 N ATOM 212 CA SER A 126 9.378 3.821 1.105 1.00 0.00 C ATOM 213 C SER A 126 10.826 4.267 1.331 1.00 0.00 C ATOM 214 O SER A 126 11.584 4.437 0.397 1.00 0.00 O ATOM 215 CB SER A 126 9.326 2.344 0.713 1.00 0.00 C ATOM 216 OG SER A 126 8.017 2.024 0.259 1.00 0.00 O ATOM 0 H SER A 126 9.077 4.203 -0.974 1.00 0.00 H new ATOM 0 HA SER A 126 8.838 4.017 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.055 2.138 -0.070 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.590 1.720 1.567 1.00 0.00 H new ATOM 0 HG SER A 126 7.981 1.078 0.005 1.00 0.00 H new ATOM 222 N PHE A 127 11.216 4.459 2.562 1.00 0.00 N ATOM 223 CA PHE A 127 12.616 4.894 2.839 1.00 0.00 C ATOM 224 C PHE A 127 13.199 4.098 4.009 1.00 0.00 C ATOM 225 O PHE A 127 12.481 3.604 4.857 1.00 0.00 O ATOM 226 CB PHE A 127 12.511 6.375 3.202 1.00 0.00 C ATOM 227 CG PHE A 127 11.612 7.077 2.213 1.00 0.00 C ATOM 228 CD1 PHE A 127 12.142 7.578 1.019 1.00 0.00 C ATOM 229 CD2 PHE A 127 10.249 7.229 2.493 1.00 0.00 C ATOM 230 CE1 PHE A 127 11.308 8.231 0.103 1.00 0.00 C ATOM 231 CE2 PHE A 127 9.416 7.882 1.577 1.00 0.00 C ATOM 232 CZ PHE A 127 9.945 8.383 0.383 1.00 0.00 C ATOM 0 H PHE A 127 10.628 4.334 3.386 1.00 0.00 H new ATOM 0 HA PHE A 127 13.272 4.729 1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.114 6.485 4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.501 6.832 3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.194 7.461 0.804 1.00 0.00 H new ATOM 0 HD2 PHE A 127 9.840 6.843 3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 127 11.716 8.617 -0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 127 8.364 7.999 1.792 1.00 0.00 H new ATOM 0 HZ PHE A 127 9.302 8.887 -0.323 1.00 0.00 H new ATOM 242 N LYS A 128 14.497 3.972 4.063 1.00 0.00 N ATOM 243 CA LYS A 128 15.130 3.214 5.176 1.00 0.00 C ATOM 244 C LYS A 128 16.329 3.993 5.726 1.00 0.00 C ATOM 245 O LYS A 128 17.051 4.639 4.994 1.00 0.00 O ATOM 246 CB LYS A 128 15.572 1.887 4.549 1.00 0.00 C ATOM 247 CG LYS A 128 16.677 1.248 5.396 1.00 0.00 C ATOM 248 CD LYS A 128 16.326 -0.213 5.676 1.00 0.00 C ATOM 249 CE LYS A 128 16.397 -0.473 7.182 1.00 0.00 C ATOM 250 NZ LYS A 128 16.019 -1.904 7.345 1.00 0.00 N ATOM 0 H LYS A 128 15.147 4.363 3.381 1.00 0.00 H new ATOM 0 HA LYS A 128 14.452 3.054 6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 128 14.721 1.209 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 128 15.933 2.057 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 128 17.632 1.310 4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 128 16.791 1.792 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 128 15.326 -0.436 5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.016 -0.872 5.149 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.398 -0.283 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 128 15.716 0.180 7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.045 -2.157 8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 15.059 -2.054 6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 16.689 -2.502 6.821 1.00 0.00 H new ATOM 264 N CYS A 129 16.540 3.939 7.013 1.00 0.00 N ATOM 265 CA CYS A 129 17.685 4.678 7.615 1.00 0.00 C ATOM 266 C CYS A 129 18.922 3.774 7.688 1.00 0.00 C ATOM 267 O CYS A 129 18.840 2.649 8.137 1.00 0.00 O ATOM 268 CB CYS A 129 17.208 5.050 9.017 1.00 0.00 C ATOM 269 SG CYS A 129 18.433 6.103 9.814 1.00 0.00 S ATOM 0 H CYS A 129 15.968 3.414 7.674 1.00 0.00 H new ATOM 0 HA CYS A 129 17.970 5.553 7.031 1.00 0.00 H new ATOM 0 HB2 CYS A 129 16.250 5.568 8.961 1.00 0.00 H new ATOM 0 HB3 CYS A 129 17.049 4.149 9.609 1.00 0.00 H new ATOM 274 N PRO A 130 20.028 4.299 7.235 1.00 0.00 N ATOM 275 CA PRO A 130 21.295 3.528 7.240 1.00 0.00 C ATOM 276 C PRO A 130 21.916 3.478 8.642 1.00 0.00 C ATOM 277 O PRO A 130 22.717 2.614 8.939 1.00 0.00 O ATOM 278 CB PRO A 130 22.191 4.313 6.287 1.00 0.00 C ATOM 279 CG PRO A 130 21.661 5.713 6.307 1.00 0.00 C ATOM 280 CD PRO A 130 20.199 5.644 6.676 1.00 0.00 C ATOM 0 HA PRO A 130 21.152 2.489 6.944 1.00 0.00 H new ATOM 0 HB2 PRO A 130 23.231 4.282 6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 130 22.157 3.894 5.281 1.00 0.00 H new ATOM 0 HG2 PRO A 130 22.209 6.319 7.028 1.00 0.00 H new ATOM 0 HG3 PRO A 130 21.788 6.184 5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.936 6.413 7.402 1.00 0.00 H new ATOM 0 HD3 PRO A 130 19.562 5.797 5.805 1.00 0.00 H new ATOM 288 N VAL A 131 21.569 4.396 9.505 1.00 0.00 N ATOM 289 CA VAL A 131 22.165 4.382 10.874 1.00 0.00 C ATOM 290 C VAL A 131 21.374 3.465 11.808 1.00 0.00 C ATOM 291 O VAL A 131 21.835 2.406 12.185 1.00 0.00 O ATOM 292 CB VAL A 131 22.110 5.833 11.364 1.00 0.00 C ATOM 293 CG1 VAL A 131 22.272 5.870 12.885 1.00 0.00 C ATOM 294 CG2 VAL A 131 23.249 6.626 10.719 1.00 0.00 C ATOM 0 H VAL A 131 20.905 5.149 9.324 1.00 0.00 H new ATOM 0 HA VAL A 131 23.186 4.000 10.859 1.00 0.00 H new ATOM 0 HB VAL A 131 21.150 6.271 11.090 1.00 0.00 H new ATOM 0 HG11 VAL A 131 22.232 6.903 13.230 1.00 0.00 H new ATOM 0 HG12 VAL A 131 21.467 5.301 13.351 1.00 0.00 H new ATOM 0 HG13 VAL A 131 23.232 5.432 13.159 1.00 0.00 H new ATOM 0 HG21 VAL A 131 23.214 7.659 11.064 1.00 0.00 H new ATOM 0 HG22 VAL A 131 24.205 6.182 10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 131 23.140 6.602 9.635 1.00 0.00 H new ATOM 304 N CYS A 132 20.194 3.861 12.196 1.00 0.00 N ATOM 305 CA CYS A 132 19.400 2.995 13.117 1.00 0.00 C ATOM 306 C CYS A 132 18.586 1.968 12.317 1.00 0.00 C ATOM 307 O CYS A 132 17.674 1.346 12.825 1.00 0.00 O ATOM 308 CB CYS A 132 18.509 3.951 13.919 1.00 0.00 C ATOM 309 SG CYS A 132 17.118 4.510 12.913 1.00 0.00 S ATOM 0 H CYS A 132 19.748 4.736 11.920 1.00 0.00 H new ATOM 0 HA CYS A 132 20.032 2.412 13.787 1.00 0.00 H new ATOM 0 HB2 CYS A 132 18.140 3.450 14.814 1.00 0.00 H new ATOM 0 HB3 CYS A 132 19.093 4.809 14.252 1.00 0.00 H new ATOM 314 N SER A 133 18.944 1.767 11.075 1.00 0.00 N ATOM 315 CA SER A 133 18.244 0.759 10.218 1.00 0.00 C ATOM 316 C SER A 133 16.722 0.866 10.329 1.00 0.00 C ATOM 317 O SER A 133 16.011 -0.092 10.099 1.00 0.00 O ATOM 318 CB SER A 133 18.720 -0.604 10.725 1.00 0.00 C ATOM 319 OG SER A 133 19.002 -0.529 12.116 1.00 0.00 O ATOM 0 H SER A 133 19.703 2.265 10.610 1.00 0.00 H new ATOM 0 HA SER A 133 18.477 0.918 9.165 1.00 0.00 H new ATOM 0 HB2 SER A 133 17.955 -1.358 10.540 1.00 0.00 H new ATOM 0 HB3 SER A 133 19.612 -0.914 10.180 1.00 0.00 H new ATOM 0 HG SER A 133 18.214 -0.194 12.592 1.00 0.00 H new ATOM 325 N SER A 134 16.207 2.015 10.655 1.00 0.00 N ATOM 326 CA SER A 134 14.728 2.151 10.746 1.00 0.00 C ATOM 327 C SER A 134 14.138 2.204 9.334 1.00 0.00 C ATOM 328 O SER A 134 14.824 1.970 8.359 1.00 0.00 O ATOM 329 CB SER A 134 14.491 3.465 11.481 1.00 0.00 C ATOM 330 OG SER A 134 14.550 3.236 12.883 1.00 0.00 O ATOM 0 H SER A 134 16.740 2.860 10.861 1.00 0.00 H new ATOM 0 HA SER A 134 14.258 1.316 11.266 1.00 0.00 H new ATOM 0 HB2 SER A 134 15.242 4.199 11.189 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.519 3.877 11.209 1.00 0.00 H new ATOM 0 HG SER A 134 15.066 3.952 13.310 1.00 0.00 H new ATOM 336 N THR A 135 12.876 2.510 9.209 1.00 0.00 N ATOM 337 CA THR A 135 12.265 2.575 7.850 1.00 0.00 C ATOM 338 C THR A 135 11.011 3.449 7.866 1.00 0.00 C ATOM 339 O THR A 135 10.430 3.702 8.902 1.00 0.00 O ATOM 340 CB THR A 135 11.907 1.131 7.502 1.00 0.00 C ATOM 341 OG1 THR A 135 12.934 0.266 7.964 1.00 0.00 O ATOM 342 CG2 THR A 135 11.762 0.997 5.985 1.00 0.00 C ATOM 0 H THR A 135 12.244 2.717 9.983 1.00 0.00 H new ATOM 0 HA THR A 135 12.944 3.014 7.119 1.00 0.00 H new ATOM 0 HB THR A 135 10.966 0.860 7.980 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.705 -0.661 7.743 1.00 0.00 H new ATOM 0 HG21 THR A 135 11.507 -0.032 5.733 1.00 0.00 H new ATOM 0 HG22 THR A 135 10.973 1.663 5.635 1.00 0.00 H new ATOM 0 HG23 THR A 135 12.703 1.265 5.504 1.00 0.00 H new ATOM 350 N PHE A 136 10.590 3.913 6.720 1.00 0.00 N ATOM 351 CA PHE A 136 9.373 4.771 6.665 1.00 0.00 C ATOM 352 C PHE A 136 8.684 4.633 5.305 1.00 0.00 C ATOM 353 O PHE A 136 9.250 4.125 4.357 1.00 0.00 O ATOM 354 CB PHE A 136 9.884 6.199 6.856 1.00 0.00 C ATOM 355 CG PHE A 136 10.849 6.246 8.016 1.00 0.00 C ATOM 356 CD1 PHE A 136 10.372 6.441 9.317 1.00 0.00 C ATOM 357 CD2 PHE A 136 12.223 6.098 7.789 1.00 0.00 C ATOM 358 CE1 PHE A 136 11.268 6.489 10.391 1.00 0.00 C ATOM 359 CE2 PHE A 136 13.119 6.145 8.864 1.00 0.00 C ATOM 360 CZ PHE A 136 12.641 6.340 10.165 1.00 0.00 C ATOM 0 H PHE A 136 11.036 3.735 5.820 1.00 0.00 H new ATOM 0 HA PHE A 136 8.642 4.491 7.423 1.00 0.00 H new ATOM 0 HB2 PHE A 136 10.377 6.543 5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 136 9.047 6.873 7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 136 9.312 6.554 9.492 1.00 0.00 H new ATOM 0 HD2 PHE A 136 12.591 5.948 6.785 1.00 0.00 H new ATOM 0 HE1 PHE A 136 10.900 6.641 11.395 1.00 0.00 H new ATOM 0 HE2 PHE A 136 14.179 6.031 8.689 1.00 0.00 H new ATOM 0 HZ PHE A 136 13.332 6.375 10.994 1.00 0.00 H new ATOM 370 N THR A 137 7.467 5.089 5.205 1.00 0.00 N ATOM 371 CA THR A 137 6.732 4.997 3.911 1.00 0.00 C ATOM 372 C THR A 137 6.330 6.398 3.440 1.00 0.00 C ATOM 373 O THR A 137 6.859 7.391 3.899 1.00 0.00 O ATOM 374 CB THR A 137 5.490 4.160 4.219 1.00 0.00 C ATOM 375 OG1 THR A 137 5.248 4.178 5.619 1.00 0.00 O ATOM 376 CG2 THR A 137 5.712 2.720 3.755 1.00 0.00 C ATOM 0 H THR A 137 6.947 5.524 5.967 1.00 0.00 H new ATOM 0 HA THR A 137 7.336 4.552 3.120 1.00 0.00 H new ATOM 0 HB THR A 137 4.630 4.577 3.694 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.451 3.644 5.820 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.825 2.126 3.976 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.898 2.708 2.681 1.00 0.00 H new ATOM 0 HG23 THR A 137 6.571 2.298 4.277 1.00 0.00 H new ATOM 384 N ASP A 138 5.396 6.489 2.536 1.00 0.00 N ATOM 385 CA ASP A 138 4.964 7.830 2.051 1.00 0.00 C ATOM 386 C ASP A 138 4.383 8.638 3.210 1.00 0.00 C ATOM 387 O ASP A 138 4.755 9.773 3.437 1.00 0.00 O ATOM 388 CB ASP A 138 3.897 7.552 0.992 1.00 0.00 C ATOM 389 CG ASP A 138 2.902 6.517 1.522 1.00 0.00 C ATOM 390 OD1 ASP A 138 1.987 6.911 2.226 1.00 0.00 O ATOM 391 OD2 ASP A 138 3.073 5.348 1.215 1.00 0.00 O ATOM 0 H ASP A 138 4.914 5.696 2.113 1.00 0.00 H new ATOM 0 HA ASP A 138 5.791 8.410 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 138 3.376 8.474 0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 138 4.365 7.186 0.078 1.00 0.00 H new ATOM 396 N LEU A 139 3.479 8.062 3.952 1.00 0.00 N ATOM 397 CA LEU A 139 2.884 8.796 5.103 1.00 0.00 C ATOM 398 C LEU A 139 3.998 9.376 5.976 1.00 0.00 C ATOM 399 O LEU A 139 3.908 10.486 6.461 1.00 0.00 O ATOM 400 CB LEU A 139 2.086 7.745 5.872 1.00 0.00 C ATOM 401 CG LEU A 139 0.674 7.662 5.293 1.00 0.00 C ATOM 402 CD1 LEU A 139 -0.137 6.624 6.070 1.00 0.00 C ATOM 403 CD2 LEU A 139 -0.005 9.030 5.410 1.00 0.00 C ATOM 0 H LEU A 139 3.127 7.115 3.811 1.00 0.00 H new ATOM 0 HA LEU A 139 2.255 9.629 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 139 2.578 6.775 5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 139 2.043 8.006 6.930 1.00 0.00 H new ATOM 0 HG LEU A 139 0.728 7.369 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.144 6.565 5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.346 5.650 5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.192 6.916 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.012 8.973 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -0.059 9.321 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.572 9.771 4.857 1.00 0.00 H new ATOM 415 N GLU A 140 5.054 8.635 6.169 1.00 0.00 N ATOM 416 CA GLU A 140 6.180 9.146 6.999 1.00 0.00 C ATOM 417 C GLU A 140 7.047 10.088 6.161 1.00 0.00 C ATOM 418 O GLU A 140 7.855 10.834 6.677 1.00 0.00 O ATOM 419 CB GLU A 140 6.970 7.902 7.408 1.00 0.00 C ATOM 420 CG GLU A 140 6.056 6.950 8.184 1.00 0.00 C ATOM 421 CD GLU A 140 6.242 7.174 9.686 1.00 0.00 C ATOM 422 OE1 GLU A 140 7.382 7.234 10.118 1.00 0.00 O ATOM 423 OE2 GLU A 140 5.243 7.282 10.377 1.00 0.00 O ATOM 0 H GLU A 140 5.186 7.698 5.788 1.00 0.00 H new ATOM 0 HA GLU A 140 5.840 9.708 7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.366 7.403 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.824 8.186 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 140 5.016 7.121 7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.289 5.916 7.928 1.00 0.00 H new ATOM 430 N ALA A 141 6.875 10.060 4.867 1.00 0.00 N ATOM 431 CA ALA A 141 7.676 10.955 3.985 1.00 0.00 C ATOM 432 C ALA A 141 7.192 12.399 4.134 1.00 0.00 C ATOM 433 O ALA A 141 7.973 13.329 4.154 1.00 0.00 O ATOM 434 CB ALA A 141 7.421 10.444 2.567 1.00 0.00 C ATOM 0 H ALA A 141 6.213 9.454 4.382 1.00 0.00 H new ATOM 0 HA ALA A 141 8.737 10.946 4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 141 7.978 11.053 1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 141 7.747 9.407 2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 141 6.356 10.507 2.343 1.00 0.00 H new ATOM 440 N ASN A 142 5.905 12.591 4.242 1.00 0.00 N ATOM 441 CA ASN A 142 5.367 13.973 4.394 1.00 0.00 C ATOM 442 C ASN A 142 5.656 14.499 5.802 1.00 0.00 C ATOM 443 O ASN A 142 5.527 15.676 6.074 1.00 0.00 O ATOM 444 CB ASN A 142 3.860 13.836 4.169 1.00 0.00 C ATOM 445 CG ASN A 142 3.581 13.646 2.678 1.00 0.00 C ATOM 446 OD1 ASN A 142 4.211 14.267 1.845 1.00 0.00 O ATOM 447 ND2 ASN A 142 2.655 12.807 2.300 1.00 0.00 N ATOM 0 H ASN A 142 5.203 11.851 4.232 1.00 0.00 H new ATOM 0 HA ASN A 142 5.821 14.675 3.694 1.00 0.00 H new ATOM 0 HB2 ASN A 142 3.473 12.987 4.733 1.00 0.00 H new ATOM 0 HB3 ASN A 142 3.345 14.724 4.536 1.00 0.00 H new ATOM 0 HD21 ASN A 142 2.462 12.674 1.307 1.00 0.00 H new ATOM 0 HD22 ASN A 142 2.125 12.284 2.997 1.00 0.00 H new ATOM 454 N GLN A 143 6.048 13.635 6.700 1.00 0.00 N ATOM 455 CA GLN A 143 6.346 14.089 8.089 1.00 0.00 C ATOM 456 C GLN A 143 7.858 14.037 8.349 1.00 0.00 C ATOM 457 O GLN A 143 8.344 14.534 9.345 1.00 0.00 O ATOM 458 CB GLN A 143 5.588 13.110 8.999 1.00 0.00 C ATOM 459 CG GLN A 143 6.431 11.853 9.248 1.00 0.00 C ATOM 460 CD GLN A 143 5.659 10.890 10.153 1.00 0.00 C ATOM 461 OE1 GLN A 143 6.058 10.640 11.273 1.00 0.00 O ATOM 462 NE2 GLN A 143 4.564 10.336 9.711 1.00 0.00 N ATOM 0 H GLN A 143 6.174 12.637 6.532 1.00 0.00 H new ATOM 0 HA GLN A 143 6.038 15.119 8.268 1.00 0.00 H new ATOM 0 HB2 GLN A 143 5.353 13.592 9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 143 4.639 12.835 8.538 1.00 0.00 H new ATOM 0 HG2 GLN A 143 6.668 11.368 8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 143 7.379 12.124 9.713 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.230 10.546 8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.042 9.692 10.306 1.00 0.00 H new ATOM 471 N LEU A 144 8.599 13.436 7.459 1.00 0.00 N ATOM 472 CA LEU A 144 10.078 13.350 7.649 1.00 0.00 C ATOM 473 C LEU A 144 10.794 14.231 6.622 1.00 0.00 C ATOM 474 O LEU A 144 11.879 14.724 6.859 1.00 0.00 O ATOM 475 CB LEU A 144 10.421 11.878 7.411 1.00 0.00 C ATOM 476 CG LEU A 144 9.982 11.045 8.616 1.00 0.00 C ATOM 477 CD1 LEU A 144 10.499 9.612 8.462 1.00 0.00 C ATOM 478 CD2 LEU A 144 10.557 11.658 9.894 1.00 0.00 C ATOM 0 H LEU A 144 8.246 13.000 6.607 1.00 0.00 H new ATOM 0 HA LEU A 144 10.387 13.691 8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 144 9.924 11.520 6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.493 11.766 7.250 1.00 0.00 H new ATOM 0 HG LEU A 144 8.894 11.035 8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 144 10.186 9.018 9.321 1.00 0.00 H new ATOM 0 HD12 LEU A 144 10.092 9.174 7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.587 9.622 8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 144 10.245 11.065 10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 144 11.645 11.667 9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 144 10.191 12.679 10.005 1.00 0.00 H new ATOM 490 N PHE A 145 10.194 14.425 5.480 1.00 0.00 N ATOM 491 CA PHE A 145 10.834 15.266 4.427 1.00 0.00 C ATOM 492 C PHE A 145 11.287 16.607 5.013 1.00 0.00 C ATOM 493 O PHE A 145 10.673 17.145 5.913 1.00 0.00 O ATOM 494 CB PHE A 145 9.741 15.475 3.379 1.00 0.00 C ATOM 495 CG PHE A 145 10.298 16.250 2.211 1.00 0.00 C ATOM 496 CD1 PHE A 145 10.957 15.578 1.175 1.00 0.00 C ATOM 497 CD2 PHE A 145 10.152 17.641 2.162 1.00 0.00 C ATOM 498 CE1 PHE A 145 11.470 16.297 0.089 1.00 0.00 C ATOM 499 CE2 PHE A 145 10.666 18.360 1.077 1.00 0.00 C ATOM 500 CZ PHE A 145 11.324 17.689 0.040 1.00 0.00 C ATOM 0 H PHE A 145 9.285 14.036 5.229 1.00 0.00 H new ATOM 0 HA PHE A 145 11.723 14.796 4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 145 9.360 14.512 3.040 1.00 0.00 H new ATOM 0 HB3 PHE A 145 8.901 16.014 3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.070 14.505 1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 145 9.643 18.159 2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 145 11.978 15.779 -0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 145 10.555 19.434 1.040 1.00 0.00 H new ATOM 0 HZ PHE A 145 11.719 18.244 -0.798 1.00 0.00 H new ATOM 510 N ASP A 146 12.361 17.150 4.504 1.00 0.00 N ATOM 511 CA ASP A 146 12.859 18.456 5.025 1.00 0.00 C ATOM 512 C ASP A 146 13.319 19.347 3.866 1.00 0.00 C ATOM 513 O ASP A 146 14.005 18.895 2.971 1.00 0.00 O ATOM 514 CB ASP A 146 14.042 18.097 5.926 1.00 0.00 C ATOM 515 CG ASP A 146 13.683 18.381 7.387 1.00 0.00 C ATOM 516 OD1 ASP A 146 12.591 18.869 7.626 1.00 0.00 O ATOM 517 OD2 ASP A 146 14.508 18.105 8.242 1.00 0.00 O ATOM 0 H ASP A 146 12.915 16.745 3.749 1.00 0.00 H new ATOM 0 HA ASP A 146 12.088 19.007 5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 146 14.299 17.045 5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 146 14.920 18.676 5.638 1.00 0.00 H new ATOM 522 N PRO A 147 12.920 20.588 3.925 1.00 0.00 N ATOM 523 CA PRO A 147 13.290 21.559 2.867 1.00 0.00 C ATOM 524 C PRO A 147 14.751 21.992 3.020 1.00 0.00 C ATOM 525 O PRO A 147 15.245 22.816 2.275 1.00 0.00 O ATOM 526 CB PRO A 147 12.350 22.733 3.116 1.00 0.00 C ATOM 527 CG PRO A 147 11.990 22.646 4.567 1.00 0.00 C ATOM 528 CD PRO A 147 12.093 21.197 4.971 1.00 0.00 C ATOM 0 HA PRO A 147 13.200 21.149 1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 147 12.835 23.682 2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.463 22.668 2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.662 23.260 5.167 1.00 0.00 H new ATOM 0 HG3 PRO A 147 10.980 23.020 4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.552 21.090 5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 147 11.110 20.728 5.025 1.00 0.00 H new ATOM 536 N MET A 148 15.447 21.449 3.981 1.00 0.00 N ATOM 537 CA MET A 148 16.873 21.837 4.180 1.00 0.00 C ATOM 538 C MET A 148 17.804 20.767 3.603 1.00 0.00 C ATOM 539 O MET A 148 18.995 20.974 3.472 1.00 0.00 O ATOM 540 CB MET A 148 17.048 21.940 5.695 1.00 0.00 C ATOM 541 CG MET A 148 17.032 20.536 6.306 1.00 0.00 C ATOM 542 SD MET A 148 17.215 20.657 8.102 1.00 0.00 S ATOM 543 CE MET A 148 18.443 19.340 8.294 1.00 0.00 C ATOM 0 H MET A 148 15.091 20.754 4.637 1.00 0.00 H new ATOM 0 HA MET A 148 17.118 22.772 3.676 1.00 0.00 H new ATOM 0 HB2 MET A 148 17.987 22.440 5.930 1.00 0.00 H new ATOM 0 HB3 MET A 148 16.249 22.544 6.124 1.00 0.00 H new ATOM 0 HG2 MET A 148 16.099 20.031 6.058 1.00 0.00 H new ATOM 0 HG3 MET A 148 17.840 19.936 5.887 1.00 0.00 H new ATOM 0 HE1 MET A 148 18.168 18.706 9.137 1.00 0.00 H new ATOM 0 HE2 MET A 148 18.478 18.740 7.385 1.00 0.00 H new ATOM 0 HE3 MET A 148 19.423 19.780 8.476 1.00 0.00 H new ATOM 553 N THR A 149 17.275 19.625 3.258 1.00 0.00 N ATOM 554 CA THR A 149 18.137 18.547 2.693 1.00 0.00 C ATOM 555 C THR A 149 17.507 17.973 1.420 1.00 0.00 C ATOM 556 O THR A 149 18.051 17.085 0.794 1.00 0.00 O ATOM 557 CB THR A 149 18.206 17.478 3.784 1.00 0.00 C ATOM 558 OG1 THR A 149 18.889 16.337 3.283 1.00 0.00 O ATOM 559 CG2 THR A 149 16.790 17.084 4.205 1.00 0.00 C ATOM 0 H THR A 149 16.286 19.392 3.342 1.00 0.00 H new ATOM 0 HA THR A 149 19.126 18.915 2.419 1.00 0.00 H new ATOM 0 HB THR A 149 18.742 17.873 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 149 18.839 15.611 3.940 1.00 0.00 H new ATOM 0 HG21 THR A 149 16.840 16.322 4.983 1.00 0.00 H new ATOM 0 HG22 THR A 149 16.267 17.960 4.589 1.00 0.00 H new ATOM 0 HG23 THR A 149 16.251 16.689 3.344 1.00 0.00 H new ATOM 567 N GLY A 150 16.366 18.474 1.033 1.00 0.00 N ATOM 568 CA GLY A 150 15.704 17.956 -0.198 1.00 0.00 C ATOM 569 C GLY A 150 15.487 16.447 -0.066 1.00 0.00 C ATOM 570 O GLY A 150 15.412 15.733 -1.046 1.00 0.00 O ATOM 0 H GLY A 150 15.864 19.219 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 150 14.749 18.459 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 150 16.319 18.170 -1.072 1.00 0.00 H new ATOM 574 N THR A 151 15.385 15.957 1.140 1.00 0.00 N ATOM 575 CA THR A 151 15.172 14.495 1.332 1.00 0.00 C ATOM 576 C THR A 151 14.431 14.235 2.647 1.00 0.00 C ATOM 577 O THR A 151 13.984 15.150 3.310 1.00 0.00 O ATOM 578 CB THR A 151 16.575 13.887 1.381 1.00 0.00 C ATOM 579 OG1 THR A 151 17.510 14.816 0.852 1.00 0.00 O ATOM 580 CG2 THR A 151 16.602 12.603 0.553 1.00 0.00 C ATOM 0 H THR A 151 15.440 16.505 1.998 1.00 0.00 H new ATOM 0 HA THR A 151 14.569 14.061 0.534 1.00 0.00 H new ATOM 0 HB THR A 151 16.838 13.657 2.413 1.00 0.00 H new ATOM 0 HG1 THR A 151 17.672 15.526 1.507 1.00 0.00 H new ATOM 0 HG21 THR A 151 17.601 12.169 0.587 1.00 0.00 H new ATOM 0 HG22 THR A 151 15.883 11.892 0.961 1.00 0.00 H new ATOM 0 HG23 THR A 151 16.341 12.831 -0.480 1.00 0.00 H new ATOM 588 N PHE A 152 14.296 12.994 3.026 1.00 0.00 N ATOM 589 CA PHE A 152 13.583 12.675 4.296 1.00 0.00 C ATOM 590 C PHE A 152 14.590 12.402 5.415 1.00 0.00 C ATOM 591 O PHE A 152 15.546 11.672 5.239 1.00 0.00 O ATOM 592 CB PHE A 152 12.776 11.415 3.986 1.00 0.00 C ATOM 593 CG PHE A 152 11.989 11.627 2.716 1.00 0.00 C ATOM 594 CD1 PHE A 152 12.572 11.346 1.476 1.00 0.00 C ATOM 595 CD2 PHE A 152 10.675 12.106 2.780 1.00 0.00 C ATOM 596 CE1 PHE A 152 11.843 11.545 0.298 1.00 0.00 C ATOM 597 CE2 PHE A 152 9.945 12.304 1.603 1.00 0.00 C ATOM 598 CZ PHE A 152 10.529 12.023 0.362 1.00 0.00 C ATOM 0 H PHE A 152 14.648 12.187 2.512 1.00 0.00 H new ATOM 0 HA PHE A 152 12.950 13.496 4.632 1.00 0.00 H new ATOM 0 HB2 PHE A 152 13.443 10.560 3.876 1.00 0.00 H new ATOM 0 HB3 PHE A 152 12.102 11.189 4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 152 13.585 10.975 1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 152 10.225 12.323 3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 152 12.294 11.330 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.931 12.673 1.652 1.00 0.00 H new ATOM 0 HZ PHE A 152 9.965 12.175 -0.547 1.00 0.00 H new ATOM 608 N ARG A 153 14.384 12.980 6.567 1.00 0.00 N ATOM 609 CA ARG A 153 15.332 12.747 7.694 1.00 0.00 C ATOM 610 C ARG A 153 14.725 11.781 8.714 1.00 0.00 C ATOM 611 O ARG A 153 13.554 11.851 9.031 1.00 0.00 O ATOM 612 CB ARG A 153 15.546 14.120 8.331 1.00 0.00 C ATOM 613 CG ARG A 153 16.709 14.833 7.635 1.00 0.00 C ATOM 614 CD ARG A 153 17.029 16.134 8.377 1.00 0.00 C ATOM 615 NE ARG A 153 18.395 15.935 8.934 1.00 0.00 N ATOM 616 CZ ARG A 153 19.441 16.338 8.263 1.00 0.00 C ATOM 617 NH1 ARG A 153 19.517 16.118 6.978 1.00 0.00 N ATOM 618 NH2 ARG A 153 20.410 16.959 8.876 1.00 0.00 N ATOM 0 H ARG A 153 13.603 13.602 6.776 1.00 0.00 H new ATOM 0 HA ARG A 153 16.267 12.304 7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 153 14.638 14.717 8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 153 15.758 14.010 9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 153 17.587 14.187 7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 153 16.450 15.048 6.598 1.00 0.00 H new ATOM 0 HD2 ARG A 153 16.999 16.990 7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 153 16.304 16.325 9.168 1.00 0.00 H new ATOM 0 HE ARG A 153 18.515 15.483 9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.760 15.632 6.498 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.334 16.433 6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.352 17.130 9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.226 17.273 8.352 1.00 0.00 H new ATOM 632 N CYS A 154 15.520 10.889 9.237 1.00 0.00 N ATOM 633 CA CYS A 154 15.003 9.925 10.249 1.00 0.00 C ATOM 634 C CYS A 154 14.173 10.673 11.297 1.00 0.00 C ATOM 635 O CYS A 154 14.107 11.886 11.294 1.00 0.00 O ATOM 636 CB CYS A 154 16.263 9.326 10.871 1.00 0.00 C ATOM 637 SG CYS A 154 15.841 7.890 11.883 1.00 0.00 S ATOM 0 H CYS A 154 16.508 10.786 9.007 1.00 0.00 H new ATOM 0 HA CYS A 154 14.354 9.159 9.824 1.00 0.00 H new ATOM 0 HB2 CYS A 154 16.961 9.034 10.086 1.00 0.00 H new ATOM 0 HB3 CYS A 154 16.766 10.075 11.482 1.00 0.00 H new ATOM 642 N THR A 155 13.529 9.969 12.188 1.00 0.00 N ATOM 643 CA THR A 155 12.699 10.664 13.217 1.00 0.00 C ATOM 644 C THR A 155 13.252 10.417 14.626 1.00 0.00 C ATOM 645 O THR A 155 12.966 11.156 15.547 1.00 0.00 O ATOM 646 CB THR A 155 11.297 10.066 13.077 1.00 0.00 C ATOM 647 OG1 THR A 155 11.289 9.105 12.029 1.00 0.00 O ATOM 648 CG2 THR A 155 10.298 11.178 12.756 1.00 0.00 C ATOM 0 H THR A 155 13.540 8.951 12.249 1.00 0.00 H new ATOM 0 HA THR A 155 12.699 11.744 13.070 1.00 0.00 H new ATOM 0 HB THR A 155 11.016 9.582 14.013 1.00 0.00 H new ATOM 0 HG1 THR A 155 10.391 8.723 11.943 1.00 0.00 H new ATOM 0 HG21 THR A 155 9.299 10.752 12.656 1.00 0.00 H new ATOM 0 HG22 THR A 155 10.300 11.913 13.561 1.00 0.00 H new ATOM 0 HG23 THR A 155 10.581 11.663 11.822 1.00 0.00 H new ATOM 656 N PHE A 156 14.041 9.394 14.808 1.00 0.00 N ATOM 657 CA PHE A 156 14.598 9.128 16.168 1.00 0.00 C ATOM 658 C PHE A 156 16.111 9.348 16.170 1.00 0.00 C ATOM 659 O PHE A 156 16.674 9.846 17.125 1.00 0.00 O ATOM 660 CB PHE A 156 14.261 7.670 16.528 1.00 0.00 C ATOM 661 CG PHE A 156 13.750 6.908 15.325 1.00 0.00 C ATOM 662 CD1 PHE A 156 14.631 6.533 14.306 1.00 0.00 C ATOM 663 CD2 PHE A 156 12.390 6.582 15.232 1.00 0.00 C ATOM 664 CE1 PHE A 156 14.154 5.832 13.193 1.00 0.00 C ATOM 665 CE2 PHE A 156 11.914 5.879 14.120 1.00 0.00 C ATOM 666 CZ PHE A 156 12.796 5.504 13.099 1.00 0.00 C ATOM 0 H PHE A 156 14.323 8.735 14.082 1.00 0.00 H new ATOM 0 HA PHE A 156 14.166 9.808 16.902 1.00 0.00 H new ATOM 0 HB2 PHE A 156 15.149 7.177 16.923 1.00 0.00 H new ATOM 0 HB3 PHE A 156 13.510 7.653 17.317 1.00 0.00 H new ATOM 0 HD1 PHE A 156 15.679 6.784 14.378 1.00 0.00 H new ATOM 0 HD2 PHE A 156 11.710 6.873 16.019 1.00 0.00 H new ATOM 0 HE1 PHE A 156 14.834 5.543 12.405 1.00 0.00 H new ATOM 0 HE2 PHE A 156 10.867 5.626 14.049 1.00 0.00 H new ATOM 0 HZ PHE A 156 12.429 4.962 12.240 1.00 0.00 H new ATOM 676 N CYS A 157 16.775 8.996 15.105 1.00 0.00 N ATOM 677 CA CYS A 157 18.247 9.203 15.052 1.00 0.00 C ATOM 678 C CYS A 157 18.582 10.213 13.937 1.00 0.00 C ATOM 679 O CYS A 157 19.704 10.319 13.479 1.00 0.00 O ATOM 680 CB CYS A 157 18.834 7.794 14.829 1.00 0.00 C ATOM 681 SG CYS A 157 19.377 7.549 13.120 1.00 0.00 S ATOM 0 H CYS A 157 16.363 8.575 14.272 1.00 0.00 H new ATOM 0 HA CYS A 157 18.673 9.635 15.957 1.00 0.00 H new ATOM 0 HB2 CYS A 157 19.677 7.642 15.503 1.00 0.00 H new ATOM 0 HB3 CYS A 157 18.084 7.045 15.082 1.00 0.00 H new ATOM 686 N HIS A 158 17.594 10.972 13.535 1.00 0.00 N ATOM 687 CA HIS A 158 17.774 12.026 12.483 1.00 0.00 C ATOM 688 C HIS A 158 18.840 11.668 11.438 1.00 0.00 C ATOM 689 O HIS A 158 19.474 12.541 10.880 1.00 0.00 O ATOM 690 CB HIS A 158 18.191 13.273 13.260 1.00 0.00 C ATOM 691 CG HIS A 158 16.973 13.908 13.874 1.00 0.00 C ATOM 692 ND1 HIS A 158 16.260 14.911 13.235 1.00 0.00 N ATOM 693 CD2 HIS A 158 16.327 13.693 15.066 1.00 0.00 C ATOM 694 CE1 HIS A 158 15.238 15.257 14.038 1.00 0.00 C ATOM 695 NE2 HIS A 158 15.232 14.547 15.168 1.00 0.00 N ATOM 0 H HIS A 158 16.644 10.905 13.901 1.00 0.00 H new ATOM 0 HA HIS A 158 16.856 12.155 11.910 1.00 0.00 H new ATOM 0 HB2 HIS A 158 18.908 13.008 14.037 1.00 0.00 H new ATOM 0 HB3 HIS A 158 18.688 13.980 12.596 1.00 0.00 H new ATOM 0 HD2 HIS A 158 16.623 12.971 15.812 1.00 0.00 H new ATOM 0 HE1 HIS A 158 14.510 16.018 13.797 1.00 0.00 H new ATOM 0 HE2 HIS A 158 14.569 14.615 15.940 1.00 0.00 H new ATOM 703 N THR A 159 19.035 10.415 11.138 1.00 0.00 N ATOM 704 CA THR A 159 20.047 10.066 10.098 1.00 0.00 C ATOM 705 C THR A 159 19.380 10.079 8.716 1.00 0.00 C ATOM 706 O THR A 159 18.289 9.575 8.543 1.00 0.00 O ATOM 707 CB THR A 159 20.527 8.659 10.451 1.00 0.00 C ATOM 708 OG1 THR A 159 21.410 8.726 11.563 1.00 0.00 O ATOM 709 CG2 THR A 159 21.254 8.041 9.251 1.00 0.00 C ATOM 0 H THR A 159 18.546 9.626 11.560 1.00 0.00 H new ATOM 0 HA THR A 159 20.877 10.772 10.070 1.00 0.00 H new ATOM 0 HB THR A 159 19.668 8.038 10.705 1.00 0.00 H new ATOM 0 HG1 THR A 159 20.889 8.765 12.392 1.00 0.00 H new ATOM 0 HG21 THR A 159 21.594 7.038 9.509 1.00 0.00 H new ATOM 0 HG22 THR A 159 20.573 7.986 8.402 1.00 0.00 H new ATOM 0 HG23 THR A 159 22.113 8.659 8.988 1.00 0.00 H new ATOM 717 N GLU A 160 20.023 10.651 7.734 1.00 0.00 N ATOM 718 CA GLU A 160 19.413 10.691 6.371 1.00 0.00 C ATOM 719 C GLU A 160 18.936 9.294 5.962 1.00 0.00 C ATOM 720 O GLU A 160 19.670 8.329 6.040 1.00 0.00 O ATOM 721 CB GLU A 160 20.536 11.166 5.446 1.00 0.00 C ATOM 722 CG GLU A 160 19.933 11.845 4.213 1.00 0.00 C ATOM 723 CD GLU A 160 20.198 13.350 4.277 1.00 0.00 C ATOM 724 OE1 GLU A 160 21.354 13.723 4.395 1.00 0.00 O ATOM 725 OE2 GLU A 160 19.242 14.104 4.205 1.00 0.00 O ATOM 0 H GLU A 160 20.940 11.091 7.814 1.00 0.00 H new ATOM 0 HA GLU A 160 18.544 11.348 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 160 21.187 11.862 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 160 21.153 10.320 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 160 20.368 11.427 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 160 18.860 11.656 4.169 1.00 0.00 H new ATOM 732 N VAL A 161 17.710 9.177 5.525 1.00 0.00 N ATOM 733 CA VAL A 161 17.190 7.839 5.112 1.00 0.00 C ATOM 734 C VAL A 161 17.418 7.618 3.616 1.00 0.00 C ATOM 735 O VAL A 161 17.886 8.491 2.912 1.00 0.00 O ATOM 736 CB VAL A 161 15.694 7.881 5.419 1.00 0.00 C ATOM 737 CG1 VAL A 161 15.484 7.969 6.931 1.00 0.00 C ATOM 738 CG2 VAL A 161 15.068 9.106 4.746 1.00 0.00 C ATOM 0 H VAL A 161 17.047 9.947 5.436 1.00 0.00 H new ATOM 0 HA VAL A 161 17.693 7.026 5.635 1.00 0.00 H new ATOM 0 HB VAL A 161 15.221 6.975 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.416 7.999 7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 161 15.928 7.097 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 161 15.958 8.874 7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 161 14.001 9.136 4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 161 15.542 10.011 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 161 15.215 9.044 3.668 1.00 0.00 H new ATOM 748 N GLU A 162 17.088 6.454 3.125 1.00 0.00 N ATOM 749 CA GLU A 162 17.283 6.175 1.675 1.00 0.00 C ATOM 750 C GLU A 162 16.160 5.273 1.157 1.00 0.00 C ATOM 751 O GLU A 162 15.718 4.365 1.832 1.00 0.00 O ATOM 752 CB GLU A 162 18.631 5.457 1.589 1.00 0.00 C ATOM 753 CG GLU A 162 19.747 6.488 1.411 1.00 0.00 C ATOM 754 CD GLU A 162 20.999 5.796 0.867 1.00 0.00 C ATOM 755 OE1 GLU A 162 21.728 5.225 1.661 1.00 0.00 O ATOM 756 OE2 GLU A 162 21.207 5.850 -0.334 1.00 0.00 O ATOM 0 H GLU A 162 16.692 5.685 3.666 1.00 0.00 H new ATOM 0 HA GLU A 162 17.266 7.083 1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 162 18.802 4.872 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 162 18.630 4.758 0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 162 19.426 7.273 0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 162 19.969 6.968 2.364 1.00 0.00 H new ATOM 763 N GLU A 163 15.695 5.517 -0.037 1.00 0.00 N ATOM 764 CA GLU A 163 14.600 4.676 -0.600 1.00 0.00 C ATOM 765 C GLU A 163 14.954 3.192 -0.467 1.00 0.00 C ATOM 766 O GLU A 163 16.031 2.766 -0.834 1.00 0.00 O ATOM 767 CB GLU A 163 14.512 5.083 -2.071 1.00 0.00 C ATOM 768 CG GLU A 163 13.854 6.460 -2.177 1.00 0.00 C ATOM 769 CD GLU A 163 12.771 6.427 -3.255 1.00 0.00 C ATOM 770 OE1 GLU A 163 13.048 5.925 -4.331 1.00 0.00 O ATOM 771 OE2 GLU A 163 11.681 6.904 -2.986 1.00 0.00 O ATOM 0 H GLU A 163 16.026 6.263 -0.648 1.00 0.00 H new ATOM 0 HA GLU A 163 13.653 4.821 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 163 15.508 5.108 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 163 13.934 4.347 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 163 13.419 6.741 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 163 14.602 7.214 -2.421 1.00 0.00 H new ATOM 778 N ASP A 164 14.055 2.403 0.059 1.00 0.00 N ATOM 779 CA ASP A 164 14.342 0.947 0.217 1.00 0.00 C ATOM 780 C ASP A 164 13.847 0.171 -1.004 1.00 0.00 C ATOM 781 O ASP A 164 12.666 0.131 -1.290 1.00 0.00 O ATOM 782 CB ASP A 164 13.569 0.525 1.467 1.00 0.00 C ATOM 783 CG ASP A 164 13.766 -0.972 1.711 1.00 0.00 C ATOM 784 OD1 ASP A 164 13.362 -1.749 0.861 1.00 0.00 O ATOM 785 OD2 ASP A 164 14.317 -1.317 2.743 1.00 0.00 O ATOM 0 H ASP A 164 13.136 2.703 0.385 1.00 0.00 H new ATOM 0 HA ASP A 164 15.409 0.746 0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 164 13.916 1.093 2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 164 12.509 0.747 1.344 1.00 0.00 H new ATOM 790 N GLU A 165 14.738 -0.452 -1.725 1.00 0.00 N ATOM 791 CA GLU A 165 14.314 -1.230 -2.923 1.00 0.00 C ATOM 792 C GLU A 165 13.950 -2.661 -2.516 1.00 0.00 C ATOM 793 O GLU A 165 13.653 -3.498 -3.345 1.00 0.00 O ATOM 794 CB GLU A 165 15.528 -1.227 -3.854 1.00 0.00 C ATOM 795 CG GLU A 165 15.902 0.216 -4.203 1.00 0.00 C ATOM 796 CD GLU A 165 17.390 0.438 -3.924 1.00 0.00 C ATOM 797 OE1 GLU A 165 17.893 -0.161 -2.987 1.00 0.00 O ATOM 798 OE2 GLU A 165 18.002 1.202 -4.652 1.00 0.00 O ATOM 0 H GLU A 165 15.740 -0.456 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 165 13.435 -0.801 -3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 165 16.369 -1.726 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 165 15.304 -1.786 -4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 165 15.684 0.416 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 165 15.303 0.911 -3.615 1.00 0.00 H new ATOM 805 N SER A 166 13.971 -2.947 -1.241 1.00 0.00 N ATOM 806 CA SER A 166 13.625 -4.321 -0.777 1.00 0.00 C ATOM 807 C SER A 166 12.199 -4.347 -0.221 1.00 0.00 C ATOM 808 O SER A 166 11.809 -5.268 0.470 1.00 0.00 O ATOM 809 CB SER A 166 14.636 -4.632 0.326 1.00 0.00 C ATOM 810 OG SER A 166 15.735 -5.343 -0.230 1.00 0.00 O ATOM 0 H SER A 166 14.213 -2.288 -0.501 1.00 0.00 H new ATOM 0 HA SER A 166 13.665 -5.052 -1.584 1.00 0.00 H new ATOM 0 HB2 SER A 166 14.983 -3.708 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 166 14.165 -5.224 1.111 1.00 0.00 H new ATOM 0 HG SER A 166 16.386 -5.542 0.475 1.00 0.00 H new ATOM 816 N ALA A 167 11.418 -3.343 -0.515 1.00 0.00 N ATOM 817 CA ALA A 167 10.017 -3.312 -0.002 1.00 0.00 C ATOM 818 C ALA A 167 9.137 -4.278 -0.802 1.00 0.00 C ATOM 819 O ALA A 167 8.227 -3.872 -1.498 1.00 0.00 O ATOM 820 CB ALA A 167 9.552 -1.870 -0.206 1.00 0.00 C ATOM 0 H ALA A 167 11.688 -2.543 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 167 9.954 -3.617 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 167 8.526 -1.765 0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 167 10.200 -1.196 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 167 9.597 -1.620 -1.266 1.00 0.00 H new ATOM 826 N MET A 168 9.401 -5.552 -0.706 1.00 0.00 N ATOM 827 CA MET A 168 8.580 -6.542 -1.459 1.00 0.00 C ATOM 828 C MET A 168 8.868 -7.963 -0.959 1.00 0.00 C ATOM 829 O MET A 168 7.992 -8.624 -0.438 1.00 0.00 O ATOM 830 CB MET A 168 8.994 -6.381 -2.921 1.00 0.00 C ATOM 831 CG MET A 168 8.014 -5.447 -3.634 1.00 0.00 C ATOM 832 SD MET A 168 7.363 -6.267 -5.111 1.00 0.00 S ATOM 833 CE MET A 168 5.610 -6.157 -4.676 1.00 0.00 C ATOM 0 H MET A 168 10.149 -5.950 -0.139 1.00 0.00 H new ATOM 0 HA MET A 168 7.511 -6.376 -1.326 1.00 0.00 H new ATOM 0 HB2 MET A 168 10.005 -5.978 -2.981 1.00 0.00 H new ATOM 0 HB3 MET A 168 9.009 -7.353 -3.414 1.00 0.00 H new ATOM 0 HG2 MET A 168 7.197 -5.180 -2.964 1.00 0.00 H new ATOM 0 HG3 MET A 168 8.515 -4.520 -3.911 1.00 0.00 H new ATOM 0 HE1 MET A 168 5.010 -6.612 -5.464 1.00 0.00 H new ATOM 0 HE2 MET A 168 5.434 -6.683 -3.737 1.00 0.00 H new ATOM 0 HE3 MET A 168 5.328 -5.110 -4.564 1.00 0.00 H new ATOM 843 N PRO A 169 10.092 -8.383 -1.130 1.00 0.00 N ATOM 844 CA PRO A 169 10.500 -9.739 -0.684 1.00 0.00 C ATOM 845 C PRO A 169 10.611 -9.783 0.844 1.00 0.00 C ATOM 846 O PRO A 169 10.288 -10.772 1.472 1.00 0.00 O ATOM 847 CB PRO A 169 11.869 -9.929 -1.329 1.00 0.00 C ATOM 848 CG PRO A 169 12.393 -8.545 -1.538 1.00 0.00 C ATOM 849 CD PRO A 169 11.200 -7.649 -1.748 1.00 0.00 C ATOM 0 HA PRO A 169 9.789 -10.516 -0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 169 12.531 -10.509 -0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 169 11.789 -10.468 -2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 169 12.974 -8.218 -0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 169 13.058 -8.511 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 169 11.345 -6.676 -1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 169 11.018 -7.469 -2.807 1.00 0.00 H new ATOM 857 N LYS A 170 11.069 -8.718 1.443 1.00 0.00 N ATOM 858 CA LYS A 170 11.206 -8.695 2.928 1.00 0.00 C ATOM 859 C LYS A 170 9.859 -8.370 3.580 1.00 0.00 C ATOM 860 O LYS A 170 9.477 -8.965 4.568 1.00 0.00 O ATOM 861 CB LYS A 170 12.223 -7.588 3.211 1.00 0.00 C ATOM 862 CG LYS A 170 13.421 -8.176 3.959 1.00 0.00 C ATOM 863 CD LYS A 170 13.326 -7.807 5.440 1.00 0.00 C ATOM 864 CE LYS A 170 13.705 -9.018 6.293 1.00 0.00 C ATOM 865 NZ LYS A 170 12.460 -9.829 6.383 1.00 0.00 N ATOM 0 H LYS A 170 11.355 -7.862 0.968 1.00 0.00 H new ATOM 0 HA LYS A 170 11.526 -9.656 3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 170 12.552 -7.134 2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 170 11.762 -6.799 3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 170 13.440 -9.260 3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 170 14.351 -7.794 3.537 1.00 0.00 H new ATOM 0 HD2 LYS A 170 13.990 -6.971 5.661 1.00 0.00 H new ATOM 0 HD3 LYS A 170 12.314 -7.482 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 170 14.514 -9.586 5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 170 14.050 -8.713 7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 12.640 -10.679 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 11.709 -9.264 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 12.159 -10.111 5.428 1.00 0.00 H new ATOM 879 N LYS A 171 9.138 -7.430 3.034 1.00 0.00 N ATOM 880 CA LYS A 171 7.817 -7.068 3.622 1.00 0.00 C ATOM 881 C LYS A 171 6.925 -8.308 3.721 1.00 0.00 C ATOM 882 O LYS A 171 6.701 -9.004 2.750 1.00 0.00 O ATOM 883 CB LYS A 171 7.217 -6.054 2.649 1.00 0.00 C ATOM 884 CG LYS A 171 7.820 -4.674 2.916 1.00 0.00 C ATOM 885 CD LYS A 171 6.969 -3.939 3.954 1.00 0.00 C ATOM 886 CE LYS A 171 7.789 -3.732 5.231 1.00 0.00 C ATOM 887 NZ LYS A 171 6.971 -2.810 6.066 1.00 0.00 N ATOM 0 H LYS A 171 9.406 -6.897 2.207 1.00 0.00 H new ATOM 0 HA LYS A 171 7.910 -6.662 4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 171 7.417 -6.358 1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 171 6.134 -6.018 2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 171 8.844 -4.776 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 171 7.863 -4.099 1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 171 6.643 -2.977 3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 171 6.070 -4.513 4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 171 7.967 -4.677 5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 171 8.765 -3.302 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 7.467 -2.619 6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 6.824 -1.917 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 6.050 -3.249 6.268 1.00 0.00 H new ATOM 901 N ASP A 172 6.412 -8.589 4.889 1.00 0.00 N ATOM 902 CA ASP A 172 5.532 -9.783 5.049 1.00 0.00 C ATOM 903 C ASP A 172 4.115 -9.347 5.432 1.00 0.00 C ATOM 904 O ASP A 172 3.482 -9.938 6.284 1.00 0.00 O ATOM 905 CB ASP A 172 6.168 -10.595 6.178 1.00 0.00 C ATOM 906 CG ASP A 172 7.648 -10.825 5.871 1.00 0.00 C ATOM 907 OD1 ASP A 172 7.932 -11.547 4.929 1.00 0.00 O ATOM 908 OD2 ASP A 172 8.474 -10.276 6.582 1.00 0.00 O ATOM 0 H ASP A 172 6.564 -8.044 5.738 1.00 0.00 H new ATOM 0 HA ASP A 172 5.448 -10.362 4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 172 6.060 -10.067 7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 172 5.655 -11.551 6.286 1.00 0.00 H new ATOM 913 N ALA A 173 3.614 -8.315 4.808 1.00 0.00 N ATOM 914 CA ALA A 173 2.238 -7.837 5.136 1.00 0.00 C ATOM 915 C ALA A 173 1.192 -8.809 4.583 1.00 0.00 C ATOM 916 O ALA A 173 1.517 -9.869 4.087 1.00 0.00 O ATOM 917 CB ALA A 173 2.118 -6.474 4.452 1.00 0.00 C ATOM 0 H ALA A 173 4.097 -7.782 4.085 1.00 0.00 H new ATOM 0 HA ALA A 173 2.071 -7.770 6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 173 1.131 -6.055 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 173 2.881 -5.802 4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 173 2.257 -6.593 3.377 1.00 0.00 H new ATOM 923 N ARG A 174 -0.061 -8.454 4.667 1.00 0.00 N ATOM 924 CA ARG A 174 -1.129 -9.356 4.148 1.00 0.00 C ATOM 925 C ARG A 174 -2.505 -8.712 4.344 1.00 0.00 C ATOM 926 O ARG A 174 -3.435 -9.435 4.661 1.00 0.00 O ATOM 927 CB ARG A 174 -1.009 -10.632 4.982 1.00 0.00 C ATOM 928 CG ARG A 174 -1.071 -10.277 6.469 1.00 0.00 C ATOM 929 CD ARG A 174 -1.590 -11.479 7.260 1.00 0.00 C ATOM 930 NE ARG A 174 -0.489 -11.826 8.201 1.00 0.00 N ATOM 931 CZ ARG A 174 -0.325 -13.063 8.586 1.00 0.00 C ATOM 932 NH1 ARG A 174 0.224 -13.931 7.780 1.00 0.00 N ATOM 933 NH2 ARG A 174 -0.710 -13.431 9.777 1.00 0.00 N ATOM 934 OXT ARG A 174 -2.603 -7.508 4.175 1.00 0.00 O ATOM 0 H ARG A 174 -0.392 -7.578 5.073 1.00 0.00 H new ATOM 0 HA ARG A 174 -1.021 -9.555 3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 174 -1.814 -11.322 4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 174 -0.071 -11.139 4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -0.082 -9.992 6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -1.725 -9.418 6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -2.505 -11.232 7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 174 -1.823 -12.315 6.600 1.00 0.00 H new ATOM 0 HE ARG A 174 0.137 -11.098 8.545 1.00 0.00 H new ATOM 0 HH11 ARG A 174 0.525 -13.643 6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 174 0.352 -14.897 8.081 1.00 0.00 H new ATOM 0 HH21 ARG A 174 -1.139 -12.753 10.407 1.00 0.00 H new ATOM 0 HH22 ARG A 174 -0.582 -14.397 10.078 1.00 0.00 H new TER 948 ARG A 174 HETATM 949 ZN ZN A 175 17.689 6.517 11.945 1.00 0.00 ZN