USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 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 Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0.619 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 105 MET CE :methyl 160:sc= -2.85! (180deg=-3.63) USER MOD Single : A 111 SER OG : rot 180:sc=-0.00829 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.036 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -119:sc= 1.87 USER MOD Single : A 131 ASN : amide:sc= -3.1! C(o=-3.1!,f=-6.4!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 78 12.325 6.343 2.471 1.00 0.00 N ATOM 2 CA SER A 78 13.289 5.451 3.182 1.00 0.00 C ATOM 3 C SER A 78 13.720 4.307 2.263 1.00 0.00 C ATOM 4 O SER A 78 12.937 3.803 1.478 1.00 0.00 O ATOM 5 CB SER A 78 12.528 4.910 4.394 1.00 0.00 C ATOM 6 OG SER A 78 13.455 4.380 5.332 1.00 0.00 O ATOM 0 HA SER A 78 14.193 5.981 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.942 5.705 4.854 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.826 4.136 4.082 1.00 0.00 H new ATOM 0 HG SER A 78 12.971 4.034 6.111 1.00 0.00 H new ATOM 12 N GLU A 79 14.958 3.895 2.356 1.00 0.00 N ATOM 13 CA GLU A 79 15.448 2.782 1.486 1.00 0.00 C ATOM 14 C GLU A 79 14.841 1.455 1.943 1.00 0.00 C ATOM 15 O GLU A 79 15.417 0.749 2.748 1.00 0.00 O ATOM 16 CB GLU A 79 16.965 2.771 1.675 1.00 0.00 C ATOM 17 CG GLU A 79 17.612 1.901 0.596 1.00 0.00 C ATOM 18 CD GLU A 79 19.004 1.470 1.057 1.00 0.00 C ATOM 19 OE1 GLU A 79 19.092 0.844 2.101 1.00 0.00 O ATOM 20 OE2 GLU A 79 19.958 1.772 0.361 1.00 0.00 O ATOM 0 H GLU A 79 15.652 4.281 2.997 1.00 0.00 H new ATOM 0 HA GLU A 79 15.170 2.918 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.356 3.787 1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.215 2.387 2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.994 1.025 0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.682 2.456 -0.340 1.00 0.00 H new ATOM 27 N ASP A 80 13.683 1.118 1.434 1.00 0.00 N ATOM 28 CA ASP A 80 13.019 -0.168 1.838 1.00 0.00 C ATOM 29 C ASP A 80 11.910 -0.509 0.843 1.00 0.00 C ATOM 30 O ASP A 80 11.856 0.046 -0.228 1.00 0.00 O ATOM 31 CB ASP A 80 12.425 0.117 3.226 1.00 0.00 C ATOM 32 CG ASP A 80 13.440 -0.238 4.313 1.00 0.00 C ATOM 33 OD1 ASP A 80 14.032 -1.301 4.220 1.00 0.00 O ATOM 34 OD2 ASP A 80 13.611 0.559 5.221 1.00 0.00 O ATOM 0 H ASP A 80 13.165 1.676 0.755 1.00 0.00 H new ATOM 0 HA ASP A 80 13.710 -1.011 1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.150 1.169 3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.512 -0.462 3.366 1.00 0.00 H new ATOM 39 N ILE A 81 11.009 -1.396 1.182 1.00 0.00 N ATOM 40 CA ILE A 81 9.906 -1.705 0.227 1.00 0.00 C ATOM 41 C ILE A 81 8.678 -0.883 0.607 1.00 0.00 C ATOM 42 O ILE A 81 7.603 -1.406 0.766 1.00 0.00 O ATOM 43 CB ILE A 81 9.637 -3.215 0.307 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.108 -3.617 1.717 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.915 -3.974 -0.081 1.00 0.00 C ATOM 46 CD1 ILE A 81 10.203 -4.191 2.637 1.00 0.00 C ATOM 0 H ILE A 81 10.989 -1.911 2.062 1.00 0.00 H new ATOM 0 HA ILE A 81 10.168 -1.446 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 81 8.852 -3.487 -0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.664 -2.743 2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.315 -4.356 1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.732 -5.047 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.203 -3.706 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.719 -3.708 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.768 -4.450 3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.631 -5.083 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.985 -3.446 2.780 1.00 0.00 H new ATOM 58 N ILE A 82 8.828 0.414 0.749 1.00 0.00 N ATOM 59 CA ILE A 82 7.648 1.251 1.123 1.00 0.00 C ATOM 60 C ILE A 82 7.109 1.950 -0.112 1.00 0.00 C ATOM 61 O ILE A 82 7.811 2.128 -1.077 1.00 0.00 O ATOM 62 CB ILE A 82 8.160 2.264 2.153 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.697 1.519 3.376 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.021 3.195 2.594 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.434 2.502 4.289 1.00 0.00 C ATOM 0 H ILE A 82 9.704 0.921 0.624 1.00 0.00 H new ATOM 0 HA ILE A 82 6.834 0.657 1.538 1.00 0.00 H new ATOM 0 HB ILE A 82 8.954 2.857 1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.877 1.048 3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.371 0.722 3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.398 3.910 3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.634 3.732 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.221 2.605 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.817 1.972 5.161 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.264 2.952 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.746 3.283 4.613 1.00 0.00 H new ATOM 77 N VAL A 83 5.869 2.348 -0.078 1.00 0.00 N ATOM 78 CA VAL A 83 5.268 3.051 -1.242 1.00 0.00 C ATOM 79 C VAL A 83 4.376 4.195 -0.746 1.00 0.00 C ATOM 80 O VAL A 83 4.018 4.249 0.417 1.00 0.00 O ATOM 81 CB VAL A 83 4.418 1.999 -1.978 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.308 0.893 -2.565 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.398 1.381 -1.014 1.00 0.00 C ATOM 0 H VAL A 83 5.241 2.215 0.715 1.00 0.00 H new ATOM 0 HA VAL A 83 6.028 3.478 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 83 3.893 2.495 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.686 0.161 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.014 1.330 -3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.856 0.402 -1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.801 0.638 -1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.923 0.903 -0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.744 2.162 -0.626 1.00 0.00 H new ATOM 93 N VAL A 84 3.996 5.094 -1.618 1.00 0.00 N ATOM 94 CA VAL A 84 3.103 6.211 -1.195 1.00 0.00 C ATOM 95 C VAL A 84 1.848 6.206 -2.068 1.00 0.00 C ATOM 96 O VAL A 84 1.921 6.295 -3.281 1.00 0.00 O ATOM 97 CB VAL A 84 3.916 7.518 -1.356 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.020 7.947 -2.826 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.219 8.633 -0.575 1.00 0.00 C ATOM 0 H VAL A 84 4.265 5.102 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 84 2.776 6.111 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 84 4.922 7.337 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.598 8.868 -2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.515 7.163 -3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.021 8.114 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.783 9.559 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.211 8.775 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.165 8.360 0.479 1.00 0.00 H new ATOM 109 N ALA A 85 0.700 6.094 -1.461 1.00 0.00 N ATOM 110 CA ALA A 85 -0.558 6.091 -2.255 1.00 0.00 C ATOM 111 C ALA A 85 -0.713 7.441 -2.939 1.00 0.00 C ATOM 112 O ALA A 85 -0.831 8.457 -2.276 1.00 0.00 O ATOM 113 CB ALA A 85 -1.674 5.888 -1.241 1.00 0.00 C ATOM 0 H ALA A 85 0.579 6.005 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.568 5.318 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.635 5.875 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.527 4.940 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.661 6.703 -0.517 1.00 0.00 H new ATOM 119 N LEU A 86 -0.705 7.456 -4.253 1.00 0.00 N ATOM 120 CA LEU A 86 -0.836 8.744 -4.998 1.00 0.00 C ATOM 121 C LEU A 86 -2.293 9.015 -5.381 1.00 0.00 C ATOM 122 O LEU A 86 -2.574 9.939 -6.115 1.00 0.00 O ATOM 123 CB LEU A 86 -0.004 8.561 -6.269 1.00 0.00 C ATOM 124 CG LEU A 86 1.475 8.404 -5.909 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.268 8.054 -7.170 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.006 9.716 -5.326 1.00 0.00 C ATOM 0 H LEU A 86 -0.613 6.627 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.501 9.585 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.349 7.683 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.137 9.419 -6.927 1.00 0.00 H new ATOM 0 HG LEU A 86 1.585 7.609 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.322 7.941 -6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.893 7.120 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.154 8.851 -7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.059 9.601 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.896 10.512 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.441 9.971 -4.429 1.00 0.00 H new ATOM 138 N TYR A 87 -3.223 8.222 -4.897 1.00 0.00 N ATOM 139 CA TYR A 87 -4.670 8.451 -5.230 1.00 0.00 C ATOM 140 C TYR A 87 -5.535 7.856 -4.114 1.00 0.00 C ATOM 141 O TYR A 87 -5.140 6.910 -3.456 1.00 0.00 O ATOM 142 CB TYR A 87 -4.950 7.716 -6.557 1.00 0.00 C ATOM 143 CG TYR A 87 -3.931 8.087 -7.611 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.069 9.274 -8.342 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.841 7.241 -7.847 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.113 9.612 -9.309 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.888 7.579 -8.814 1.00 0.00 C ATOM 148 CZ TYR A 87 -2.024 8.764 -9.545 1.00 0.00 C ATOM 149 OH TYR A 87 -1.082 9.099 -10.497 1.00 0.00 O ATOM 0 H TYR A 87 -3.043 7.426 -4.286 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.897 9.513 -5.324 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.930 6.639 -6.391 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.950 7.966 -6.910 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.910 9.927 -8.161 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.736 6.327 -7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.216 10.527 -9.873 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.048 6.925 -8.996 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.392 8.404 -10.534 1.00 0.00 H new ATOM 159 N ASP A 88 -6.700 8.406 -3.890 1.00 0.00 N ATOM 160 CA ASP A 88 -7.585 7.872 -2.811 1.00 0.00 C ATOM 161 C ASP A 88 -8.086 6.473 -3.191 1.00 0.00 C ATOM 162 O ASP A 88 -8.395 6.215 -4.339 1.00 0.00 O ATOM 163 CB ASP A 88 -8.756 8.850 -2.718 1.00 0.00 C ATOM 164 CG ASP A 88 -8.259 10.203 -2.200 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.943 10.285 -1.024 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.203 11.133 -2.988 1.00 0.00 O ATOM 0 H ASP A 88 -7.077 9.201 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.061 7.783 -1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.219 8.972 -3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.522 8.453 -2.051 1.00 0.00 H new ATOM 171 N TYR A 89 -8.170 5.567 -2.243 1.00 0.00 N ATOM 172 CA TYR A 89 -8.656 4.184 -2.569 1.00 0.00 C ATOM 173 C TYR A 89 -9.249 3.500 -1.332 1.00 0.00 C ATOM 174 O TYR A 89 -8.602 3.381 -0.310 1.00 0.00 O ATOM 175 CB TYR A 89 -7.416 3.424 -3.041 1.00 0.00 C ATOM 176 CG TYR A 89 -7.846 2.140 -3.714 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.225 2.146 -5.064 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.878 0.944 -2.984 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.635 0.956 -5.681 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.291 -0.245 -3.601 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.669 -0.239 -4.950 1.00 0.00 C ATOM 182 OH TYR A 89 -9.078 -1.409 -5.558 1.00 0.00 O ATOM 0 H TYR A 89 -7.925 5.723 -1.265 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.443 4.208 -3.322 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.841 4.037 -3.735 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.765 3.205 -2.195 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.201 3.067 -5.628 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.584 0.938 -1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.925 0.960 -6.721 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.318 -1.165 -3.037 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.042 -2.144 -4.911 1.00 0.00 H new ATOM 192 N GLU A 90 -10.472 3.037 -1.426 1.00 0.00 N ATOM 193 CA GLU A 90 -11.113 2.349 -0.264 1.00 0.00 C ATOM 194 C GLU A 90 -11.208 0.837 -0.514 1.00 0.00 C ATOM 195 O GLU A 90 -11.663 0.400 -1.555 1.00 0.00 O ATOM 196 CB GLU A 90 -12.510 2.961 -0.170 1.00 0.00 C ATOM 197 CG GLU A 90 -13.051 2.776 1.247 1.00 0.00 C ATOM 198 CD GLU A 90 -12.384 3.783 2.183 1.00 0.00 C ATOM 199 OE1 GLU A 90 -12.278 4.938 1.801 1.00 0.00 O ATOM 200 OE2 GLU A 90 -11.988 3.384 3.266 1.00 0.00 O ATOM 0 H GLU A 90 -11.055 3.107 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.541 2.479 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.472 4.021 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.176 2.486 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.132 2.916 1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.858 1.760 1.592 1.00 0.00 H new ATOM 207 N ALA A 91 -10.788 0.039 0.437 1.00 0.00 N ATOM 208 CA ALA A 91 -10.855 -1.450 0.269 1.00 0.00 C ATOM 209 C ALA A 91 -12.302 -1.891 0.029 1.00 0.00 C ATOM 210 O ALA A 91 -13.168 -1.079 -0.236 1.00 0.00 O ATOM 211 CB ALA A 91 -10.332 -2.026 1.589 1.00 0.00 C ATOM 0 H ALA A 91 -10.400 0.354 1.326 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.271 -1.794 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.350 -3.115 1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.309 -1.687 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.964 -1.686 2.410 1.00 0.00 H new ATOM 217 N ILE A 92 -12.567 -3.172 0.113 1.00 0.00 N ATOM 218 CA ILE A 92 -13.965 -3.669 -0.108 1.00 0.00 C ATOM 219 C ILE A 92 -14.353 -4.697 0.965 1.00 0.00 C ATOM 220 O ILE A 92 -15.476 -4.709 1.432 1.00 0.00 O ATOM 221 CB ILE A 92 -13.972 -4.305 -1.506 1.00 0.00 C ATOM 222 CG1 ILE A 92 -12.861 -5.362 -1.622 1.00 0.00 C ATOM 223 CG2 ILE A 92 -13.753 -3.211 -2.554 1.00 0.00 C ATOM 224 CD1 ILE A 92 -12.922 -6.026 -3.001 1.00 0.00 C ATOM 0 H ILE A 92 -11.879 -3.895 0.324 1.00 0.00 H new ATOM 0 HA ILE A 92 -14.691 -2.859 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 92 -14.933 -4.792 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -11.886 -4.897 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -12.977 -6.113 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -13.757 -3.655 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -14.552 -2.473 -2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -12.794 -2.725 -2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -12.133 -6.774 -3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -13.892 -6.506 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -12.784 -5.271 -3.775 1.00 0.00 H new ATOM 236 N HIS A 93 -13.442 -5.559 1.363 1.00 0.00 N ATOM 237 CA HIS A 93 -13.769 -6.581 2.416 1.00 0.00 C ATOM 238 C HIS A 93 -12.528 -7.418 2.756 1.00 0.00 C ATOM 239 O HIS A 93 -12.140 -7.524 3.903 1.00 0.00 O ATOM 240 CB HIS A 93 -14.856 -7.481 1.813 1.00 0.00 C ATOM 241 CG HIS A 93 -15.768 -7.952 2.911 1.00 0.00 C ATOM 242 ND1 HIS A 93 -15.361 -8.870 3.865 1.00 0.00 N ATOM 243 CD2 HIS A 93 -17.063 -7.627 3.233 1.00 0.00 C ATOM 244 CE1 HIS A 93 -16.392 -9.063 4.709 1.00 0.00 C ATOM 245 NE2 HIS A 93 -17.455 -8.330 4.369 1.00 0.00 N ATOM 0 H HIS A 93 -12.488 -5.599 1.005 1.00 0.00 H new ATOM 0 HA HIS A 93 -14.104 -6.104 3.337 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -15.424 -6.933 1.061 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -14.401 -8.334 1.310 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -17.683 -6.931 2.688 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -16.363 -9.730 5.558 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -18.359 -8.293 4.840 1.00 0.00 H new ATOM 253 N HIS A 94 -11.911 -8.016 1.767 1.00 0.00 N ATOM 254 CA HIS A 94 -10.701 -8.862 2.029 1.00 0.00 C ATOM 255 C HIS A 94 -9.606 -8.038 2.722 1.00 0.00 C ATOM 256 O HIS A 94 -9.842 -6.932 3.171 1.00 0.00 O ATOM 257 CB HIS A 94 -10.231 -9.325 0.648 1.00 0.00 C ATOM 258 CG HIS A 94 -11.044 -10.515 0.212 1.00 0.00 C ATOM 259 ND1 HIS A 94 -12.257 -10.381 -0.445 1.00 0.00 N ATOM 260 CD2 HIS A 94 -10.833 -11.866 0.336 1.00 0.00 C ATOM 261 CE1 HIS A 94 -12.726 -11.619 -0.691 1.00 0.00 C ATOM 262 NE2 HIS A 94 -11.896 -12.562 -0.234 1.00 0.00 N ATOM 0 H HIS A 94 -12.192 -7.956 0.788 1.00 0.00 H new ATOM 0 HA HIS A 94 -10.925 -9.701 2.687 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -10.337 -8.515 -0.074 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.173 -9.587 0.681 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.973 -12.320 0.805 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.658 -11.825 -1.196 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.016 -13.573 -0.291 1.00 0.00 H new ATOM 270 N GLU A 95 -8.408 -8.572 2.816 1.00 0.00 N ATOM 271 CA GLU A 95 -7.287 -7.822 3.480 1.00 0.00 C ATOM 272 C GLU A 95 -7.159 -6.414 2.885 1.00 0.00 C ATOM 273 O GLU A 95 -6.767 -5.495 3.573 1.00 0.00 O ATOM 274 CB GLU A 95 -6.021 -8.645 3.189 1.00 0.00 C ATOM 275 CG GLU A 95 -5.092 -8.684 4.418 1.00 0.00 C ATOM 276 CD GLU A 95 -5.828 -9.292 5.617 1.00 0.00 C ATOM 277 OE1 GLU A 95 -6.269 -10.424 5.504 1.00 0.00 O ATOM 278 OE2 GLU A 95 -5.933 -8.617 6.628 1.00 0.00 O ATOM 0 H GLU A 95 -8.157 -9.495 2.462 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.456 -7.700 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.300 -9.660 2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.490 -8.214 2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.202 -9.271 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.756 -7.676 4.661 1.00 0.00 H new ATOM 285 N ASP A 96 -7.509 -6.272 1.612 1.00 0.00 N ATOM 286 CA ASP A 96 -7.452 -4.948 0.860 1.00 0.00 C ATOM 287 C ASP A 96 -7.298 -3.728 1.787 1.00 0.00 C ATOM 288 O ASP A 96 -8.065 -3.539 2.710 1.00 0.00 O ATOM 289 CB ASP A 96 -8.788 -4.886 0.111 1.00 0.00 C ATOM 290 CG ASP A 96 -8.553 -4.448 -1.338 1.00 0.00 C ATOM 291 OD1 ASP A 96 -7.726 -3.575 -1.546 1.00 0.00 O ATOM 292 OD2 ASP A 96 -9.204 -4.995 -2.213 1.00 0.00 O ATOM 0 H ASP A 96 -7.845 -7.048 1.041 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.581 -4.909 0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.272 -5.863 0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.461 -4.187 0.607 1.00 0.00 H new ATOM 297 N LEU A 97 -6.286 -2.930 1.562 1.00 0.00 N ATOM 298 CA LEU A 97 -6.038 -1.748 2.444 1.00 0.00 C ATOM 299 C LEU A 97 -6.593 -0.459 1.825 1.00 0.00 C ATOM 300 O LEU A 97 -6.371 -0.162 0.666 1.00 0.00 O ATOM 301 CB LEU A 97 -4.505 -1.683 2.548 1.00 0.00 C ATOM 302 CG LEU A 97 -4.053 -0.869 3.775 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.510 0.582 3.645 1.00 0.00 C ATOM 304 CD2 LEU A 97 -4.639 -1.469 5.053 1.00 0.00 C ATOM 0 H LEU A 97 -5.617 -3.046 0.801 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.529 -1.845 3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.101 -2.693 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.097 -1.234 1.642 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.965 -0.902 3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.184 1.146 4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.076 1.021 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.597 0.616 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.312 -0.884 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.727 -1.453 4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.296 -2.498 5.162 1.00 0.00 H new ATOM 316 N SER A 98 -7.286 0.322 2.616 1.00 0.00 N ATOM 317 CA SER A 98 -7.836 1.617 2.122 1.00 0.00 C ATOM 318 C SER A 98 -6.853 2.734 2.469 1.00 0.00 C ATOM 319 O SER A 98 -6.235 2.710 3.516 1.00 0.00 O ATOM 320 CB SER A 98 -9.150 1.809 2.878 1.00 0.00 C ATOM 321 OG SER A 98 -9.908 0.609 2.818 1.00 0.00 O ATOM 0 H SER A 98 -7.495 0.113 3.592 1.00 0.00 H new ATOM 0 HA SER A 98 -7.992 1.629 1.043 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.950 2.074 3.916 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.716 2.632 2.442 1.00 0.00 H new ATOM 0 HG SER A 98 -10.750 0.730 3.304 1.00 0.00 H new ATOM 327 N PHE A 99 -6.691 3.705 1.607 1.00 0.00 N ATOM 328 CA PHE A 99 -5.731 4.817 1.909 1.00 0.00 C ATOM 329 C PHE A 99 -6.142 6.108 1.192 1.00 0.00 C ATOM 330 O PHE A 99 -7.268 6.249 0.750 1.00 0.00 O ATOM 331 CB PHE A 99 -4.348 4.322 1.448 1.00 0.00 C ATOM 332 CG PHE A 99 -4.393 3.767 0.036 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.384 4.634 -1.061 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.422 2.382 -0.167 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.406 4.117 -2.363 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.441 1.867 -1.468 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.431 2.735 -2.566 1.00 0.00 C ATOM 0 H PHE A 99 -7.176 3.779 0.713 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.720 5.059 2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.633 5.144 1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.991 3.551 2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.360 5.702 -0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.430 1.712 0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.404 4.787 -3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.463 0.799 -1.625 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.443 2.337 -3.570 1.00 0.00 H new ATOM 347 N GLN A 100 -5.249 7.066 1.110 1.00 0.00 N ATOM 348 CA GLN A 100 -5.598 8.364 0.464 1.00 0.00 C ATOM 349 C GLN A 100 -4.604 8.732 -0.646 1.00 0.00 C ATOM 350 O GLN A 100 -3.680 8.008 -0.950 1.00 0.00 O ATOM 351 CB GLN A 100 -5.553 9.397 1.600 1.00 0.00 C ATOM 352 CG GLN A 100 -6.939 10.025 1.775 1.00 0.00 C ATOM 353 CD GLN A 100 -7.179 10.325 3.257 1.00 0.00 C ATOM 354 OE1 GLN A 100 -8.133 9.847 3.837 1.00 0.00 O ATOM 355 NE2 GLN A 100 -6.347 11.101 3.896 1.00 0.00 N ATOM 0 H GLN A 100 -4.294 7.002 1.464 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.575 8.319 -0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.239 8.919 2.528 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.818 10.170 1.374 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.011 10.942 1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.707 9.348 1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.546 11.502 3.408 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.498 11.307 4.884 1.00 0.00 H new ATOM 364 N LYS A 101 -4.847 9.847 -1.272 1.00 0.00 N ATOM 365 CA LYS A 101 -3.995 10.318 -2.414 1.00 0.00 C ATOM 366 C LYS A 101 -2.534 10.574 -2.063 1.00 0.00 C ATOM 367 O LYS A 101 -1.693 10.663 -2.938 1.00 0.00 O ATOM 368 CB LYS A 101 -4.641 11.608 -2.856 1.00 0.00 C ATOM 369 CG LYS A 101 -4.072 12.003 -4.205 1.00 0.00 C ATOM 370 CD LYS A 101 -5.151 12.713 -5.011 1.00 0.00 C ATOM 371 CE LYS A 101 -6.200 11.690 -5.461 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.393 12.503 -5.822 1.00 0.00 N ATOM 0 H LYS A 101 -5.619 10.472 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.954 9.542 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.722 11.485 -2.924 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.455 12.393 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.210 12.657 -4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.723 11.119 -4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.620 13.491 -4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.710 13.204 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.846 11.108 -6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.430 10.982 -4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.158 11.875 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.711 13.041 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.145 13.163 -6.587 1.00 0.00 H new ATOM 386 N GLY A 102 -2.237 10.736 -0.826 1.00 0.00 N ATOM 387 CA GLY A 102 -0.826 11.021 -0.420 1.00 0.00 C ATOM 388 C GLY A 102 -0.489 10.226 0.833 1.00 0.00 C ATOM 389 O GLY A 102 0.152 10.723 1.740 1.00 0.00 O ATOM 0 H GLY A 102 -2.906 10.686 -0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.143 10.755 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.698 12.087 -0.233 1.00 0.00 H new ATOM 393 N ASP A 103 -0.921 8.996 0.890 1.00 0.00 N ATOM 394 CA ASP A 103 -0.624 8.161 2.107 1.00 0.00 C ATOM 395 C ASP A 103 0.681 7.377 1.954 1.00 0.00 C ATOM 396 O ASP A 103 1.277 7.337 0.899 1.00 0.00 O ATOM 397 CB ASP A 103 -1.816 7.217 2.283 1.00 0.00 C ATOM 398 CG ASP A 103 -2.854 7.883 3.192 1.00 0.00 C ATOM 399 OD1 ASP A 103 -3.027 9.085 3.079 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.456 7.178 3.985 1.00 0.00 O ATOM 0 H ASP A 103 -1.461 8.530 0.160 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.488 8.795 2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.258 6.985 1.314 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.487 6.273 2.717 1.00 0.00 H new ATOM 405 N GLN A 104 1.118 6.744 3.015 1.00 0.00 N ATOM 406 CA GLN A 104 2.372 5.945 2.961 1.00 0.00 C ATOM 407 C GLN A 104 2.126 4.540 3.507 1.00 0.00 C ATOM 408 O GLN A 104 1.600 4.367 4.590 1.00 0.00 O ATOM 409 CB GLN A 104 3.367 6.690 3.851 1.00 0.00 C ATOM 410 CG GLN A 104 4.155 7.704 3.017 1.00 0.00 C ATOM 411 CD GLN A 104 5.627 7.684 3.439 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.128 8.648 3.981 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.342 6.617 3.212 1.00 0.00 N ATOM 0 H GLN A 104 0.652 6.750 3.922 1.00 0.00 H new ATOM 0 HA GLN A 104 2.741 5.836 1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.837 7.201 4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.051 5.982 4.319 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.067 7.465 1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.741 8.703 3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.920 5.808 2.757 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.323 6.592 3.490 1.00 0.00 H new ATOM 422 N MET A 105 2.524 3.543 2.767 1.00 0.00 N ATOM 423 CA MET A 105 2.344 2.136 3.225 1.00 0.00 C ATOM 424 C MET A 105 3.644 1.376 3.030 1.00 0.00 C ATOM 425 O MET A 105 4.463 1.727 2.205 1.00 0.00 O ATOM 426 CB MET A 105 1.253 1.547 2.332 1.00 0.00 C ATOM 427 CG MET A 105 -0.122 1.775 2.965 1.00 0.00 C ATOM 428 SD MET A 105 -1.410 1.433 1.741 1.00 0.00 S ATOM 429 CE MET A 105 -1.145 2.896 0.707 1.00 0.00 C ATOM 0 H MET A 105 2.971 3.643 1.856 1.00 0.00 H new ATOM 0 HA MET A 105 2.072 2.076 4.279 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.290 2.010 1.346 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.425 0.480 2.190 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.248 1.127 3.832 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.206 2.802 3.320 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.571 2.725 -0.281 1.00 0.00 H new ATOM 0 HE2 MET A 105 -1.628 3.758 1.166 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.076 3.086 0.613 1.00 0.00 H new ATOM 439 N VAL A 106 3.829 0.333 3.776 1.00 0.00 N ATOM 440 CA VAL A 106 5.069 -0.478 3.637 1.00 0.00 C ATOM 441 C VAL A 106 4.694 -1.772 2.938 1.00 0.00 C ATOM 442 O VAL A 106 3.582 -2.229 3.048 1.00 0.00 O ATOM 443 CB VAL A 106 5.552 -0.767 5.062 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.915 -1.452 5.016 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.672 0.539 5.859 1.00 0.00 C ATOM 0 H VAL A 106 3.172 0.001 4.483 1.00 0.00 H new ATOM 0 HA VAL A 106 5.847 0.027 3.064 1.00 0.00 H new ATOM 0 HB VAL A 106 4.827 -1.420 5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.254 -1.656 6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.833 -2.390 4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.633 -0.801 4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.016 0.318 6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.387 1.200 5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.699 1.027 5.906 1.00 0.00 H new ATOM 455 N VAL A 107 5.599 -2.373 2.236 1.00 0.00 N ATOM 456 CA VAL A 107 5.257 -3.648 1.539 1.00 0.00 C ATOM 457 C VAL A 107 5.664 -4.834 2.413 1.00 0.00 C ATOM 458 O VAL A 107 6.717 -4.850 3.022 1.00 0.00 O ATOM 459 CB VAL A 107 6.019 -3.640 0.202 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.804 -4.966 -0.536 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.489 -2.499 -0.670 1.00 0.00 C ATOM 0 H VAL A 107 6.557 -2.046 2.110 1.00 0.00 H new ATOM 0 HA VAL A 107 4.186 -3.738 1.355 1.00 0.00 H new ATOM 0 HB VAL A 107 7.082 -3.505 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 107 6.348 -4.949 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.170 -5.788 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.741 -5.105 -0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.025 -2.487 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.425 -2.647 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.639 -1.549 -0.157 1.00 0.00 H new ATOM 471 N LEU A 108 4.834 -5.825 2.452 1.00 0.00 N ATOM 472 CA LEU A 108 5.121 -7.044 3.246 1.00 0.00 C ATOM 473 C LEU A 108 5.762 -8.081 2.319 1.00 0.00 C ATOM 474 O LEU A 108 6.580 -8.883 2.727 1.00 0.00 O ATOM 475 CB LEU A 108 3.739 -7.536 3.704 1.00 0.00 C ATOM 476 CG LEU A 108 3.202 -6.679 4.856 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.496 -5.456 4.297 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.197 -7.499 5.676 1.00 0.00 C ATOM 0 H LEU A 108 3.944 -5.844 1.954 1.00 0.00 H new ATOM 0 HA LEU A 108 5.793 -6.869 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.042 -7.503 2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.807 -8.576 4.022 1.00 0.00 H new ATOM 0 HG LEU A 108 4.033 -6.368 5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.115 -4.849 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.199 -4.868 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.666 -5.772 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.814 -6.891 6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.370 -7.807 5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.692 -8.382 6.080 1.00 0.00 H new ATOM 490 N GLU A 109 5.395 -8.045 1.061 1.00 0.00 N ATOM 491 CA GLU A 109 5.961 -8.994 0.062 1.00 0.00 C ATOM 492 C GLU A 109 5.834 -8.388 -1.342 1.00 0.00 C ATOM 493 O GLU A 109 4.946 -7.599 -1.598 1.00 0.00 O ATOM 494 CB GLU A 109 5.112 -10.260 0.188 1.00 0.00 C ATOM 495 CG GLU A 109 5.555 -11.052 1.420 1.00 0.00 C ATOM 496 CD GLU A 109 5.110 -12.509 1.278 1.00 0.00 C ATOM 497 OE1 GLU A 109 5.331 -13.074 0.220 1.00 0.00 O ATOM 498 OE2 GLU A 109 4.553 -13.033 2.227 1.00 0.00 O ATOM 0 H GLU A 109 4.715 -7.386 0.682 1.00 0.00 H new ATOM 0 HA GLU A 109 7.017 -9.206 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.058 -9.997 0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.217 -10.872 -0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.638 -11.001 1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.124 -10.615 2.321 1.00 0.00 H new ATOM 505 N GLU A 110 6.700 -8.757 -2.254 1.00 0.00 N ATOM 506 CA GLU A 110 6.613 -8.203 -3.646 1.00 0.00 C ATOM 507 C GLU A 110 5.842 -9.175 -4.551 1.00 0.00 C ATOM 508 O GLU A 110 5.840 -10.370 -4.321 1.00 0.00 O ATOM 509 CB GLU A 110 8.064 -8.068 -4.108 1.00 0.00 C ATOM 510 CG GLU A 110 8.618 -6.717 -3.649 1.00 0.00 C ATOM 511 CD GLU A 110 10.138 -6.809 -3.501 1.00 0.00 C ATOM 512 OE1 GLU A 110 10.600 -7.791 -2.942 1.00 0.00 O ATOM 513 OE2 GLU A 110 10.812 -5.898 -3.951 1.00 0.00 O ATOM 0 H GLU A 110 7.463 -9.416 -2.098 1.00 0.00 H new ATOM 0 HA GLU A 110 6.086 -7.250 -3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.665 -8.879 -3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.121 -8.147 -5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 110 8.359 -5.942 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.167 -6.431 -2.699 1.00 0.00 H new ATOM 520 N SER A 111 5.180 -8.673 -5.568 1.00 0.00 N ATOM 521 CA SER A 111 4.406 -9.576 -6.477 1.00 0.00 C ATOM 522 C SER A 111 4.410 -9.032 -7.918 1.00 0.00 C ATOM 523 O SER A 111 5.208 -9.451 -8.735 1.00 0.00 O ATOM 524 CB SER A 111 2.989 -9.600 -5.898 1.00 0.00 C ATOM 525 OG SER A 111 2.099 -10.167 -6.850 1.00 0.00 O ATOM 0 H SER A 111 5.143 -7.682 -5.806 1.00 0.00 H new ATOM 0 HA SER A 111 4.837 -10.576 -6.530 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.971 -10.181 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.671 -8.589 -5.644 1.00 0.00 H new ATOM 0 HG SER A 111 1.192 -10.185 -6.480 1.00 0.00 H new ATOM 531 N GLY A 112 3.531 -8.107 -8.236 1.00 0.00 N ATOM 532 CA GLY A 112 3.496 -7.551 -9.624 1.00 0.00 C ATOM 533 C GLY A 112 2.424 -6.462 -9.724 1.00 0.00 C ATOM 534 O GLY A 112 2.687 -5.299 -9.485 1.00 0.00 O ATOM 0 H GLY A 112 2.840 -7.716 -7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.471 -7.138 -9.884 1.00 0.00 H new ATOM 0 HA3 GLY A 112 3.286 -8.347 -10.338 1.00 0.00 H new ATOM 538 N GLU A 113 1.218 -6.831 -10.074 1.00 0.00 N ATOM 539 CA GLU A 113 0.121 -5.820 -10.185 1.00 0.00 C ATOM 540 C GLU A 113 -0.637 -5.687 -8.853 1.00 0.00 C ATOM 541 O GLU A 113 -1.509 -4.849 -8.715 1.00 0.00 O ATOM 542 CB GLU A 113 -0.804 -6.359 -11.275 1.00 0.00 C ATOM 543 CG GLU A 113 -0.092 -6.296 -12.629 1.00 0.00 C ATOM 544 CD GLU A 113 -0.500 -7.500 -13.480 1.00 0.00 C ATOM 545 OE1 GLU A 113 -1.675 -7.831 -13.477 1.00 0.00 O ATOM 546 OE2 GLU A 113 0.368 -8.071 -14.119 1.00 0.00 O ATOM 0 H GLU A 113 0.945 -7.790 -10.288 1.00 0.00 H new ATOM 0 HA GLU A 113 0.505 -4.828 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.088 -7.387 -11.050 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.723 -5.774 -11.308 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.349 -5.370 -13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 113 0.988 -6.290 -12.483 1.00 0.00 H new ATOM 553 N TRP A 114 -0.323 -6.512 -7.880 1.00 0.00 N ATOM 554 CA TRP A 114 -1.029 -6.437 -6.566 1.00 0.00 C ATOM 555 C TRP A 114 -0.049 -6.743 -5.430 1.00 0.00 C ATOM 556 O TRP A 114 0.210 -7.892 -5.124 1.00 0.00 O ATOM 557 CB TRP A 114 -2.114 -7.512 -6.636 1.00 0.00 C ATOM 558 CG TRP A 114 -3.361 -6.934 -7.222 1.00 0.00 C ATOM 559 CD1 TRP A 114 -3.859 -7.244 -8.441 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.275 -5.958 -6.642 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.020 -6.523 -8.647 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.318 -5.715 -7.567 1.00 0.00 C ATOM 563 CE3 TRP A 114 -4.300 -5.266 -5.418 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.351 -4.819 -7.286 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -5.338 -4.363 -5.133 1.00 0.00 C ATOM 566 CH2 TRP A 114 -6.361 -4.140 -6.065 1.00 0.00 C ATOM 0 H TRP A 114 0.394 -7.235 -7.943 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.447 -5.449 -6.376 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -1.770 -8.350 -7.243 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -2.317 -7.903 -5.639 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.421 -7.941 -9.140 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.587 -6.580 -9.493 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -3.517 -5.430 -4.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.137 -4.652 -8.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -5.348 -3.837 -4.190 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.156 -3.444 -5.840 1.00 0.00 H new ATOM 577 N TRP A 115 0.501 -5.730 -4.805 1.00 0.00 N ATOM 578 CA TRP A 115 1.471 -5.978 -3.689 1.00 0.00 C ATOM 579 C TRP A 115 0.739 -5.935 -2.345 1.00 0.00 C ATOM 580 O TRP A 115 -0.215 -5.200 -2.173 1.00 0.00 O ATOM 581 CB TRP A 115 2.502 -4.833 -3.733 1.00 0.00 C ATOM 582 CG TRP A 115 3.039 -4.623 -5.119 1.00 0.00 C ATOM 583 CD1 TRP A 115 3.280 -5.597 -6.029 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.412 -3.367 -5.755 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.772 -5.014 -7.183 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.868 -3.641 -7.065 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.393 -2.027 -5.326 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.291 -2.622 -7.921 1.00 0.00 C ATOM 589 CZ3 TRP A 115 3.818 -0.999 -6.184 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.265 -1.297 -7.478 1.00 0.00 C ATOM 0 H TRP A 115 0.323 -4.748 -5.016 1.00 0.00 H new ATOM 0 HA TRP A 115 1.946 -6.953 -3.798 1.00 0.00 H new ATOM 0 HB2 TRP A 115 2.039 -3.912 -3.379 1.00 0.00 H new ATOM 0 HB3 TRP A 115 3.325 -5.058 -3.054 1.00 0.00 H new ATOM 0 HD1 TRP A 115 3.115 -6.654 -5.879 1.00 0.00 H new ATOM 0 HE1 TRP A 115 4.033 -5.535 -8.020 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.049 -1.787 -4.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.635 -2.856 -8.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 3.800 0.026 -5.844 1.00 0.00 H new ATOM 0 HH2 TRP A 115 4.590 -0.502 -8.133 1.00 0.00 H new ATOM 601 N LYS A 116 1.203 -6.690 -1.383 1.00 0.00 N ATOM 602 CA LYS A 116 0.560 -6.680 -0.034 1.00 0.00 C ATOM 603 C LYS A 116 1.315 -5.689 0.852 1.00 0.00 C ATOM 604 O LYS A 116 2.489 -5.865 1.095 1.00 0.00 O ATOM 605 CB LYS A 116 0.724 -8.106 0.496 1.00 0.00 C ATOM 606 CG LYS A 116 -0.540 -8.517 1.252 1.00 0.00 C ATOM 607 CD LYS A 116 -0.205 -9.647 2.229 1.00 0.00 C ATOM 608 CE LYS A 116 -1.447 -10.511 2.465 1.00 0.00 C ATOM 609 NZ LYS A 116 -0.948 -11.914 2.449 1.00 0.00 N ATOM 0 H LYS A 116 2.003 -7.316 -1.474 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.489 -6.385 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.907 -8.794 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.590 -8.163 1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -0.947 -7.663 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.307 -8.844 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.604 -10.258 1.829 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.146 -9.232 3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.920 -10.271 3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.194 -10.349 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.743 -12.567 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.509 -12.116 1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.243 -12.040 3.203 1.00 0.00 H new ATOM 623 N ALA A 117 0.673 -4.640 1.315 1.00 0.00 N ATOM 624 CA ALA A 117 1.408 -3.635 2.153 1.00 0.00 C ATOM 625 C ALA A 117 0.655 -3.280 3.447 1.00 0.00 C ATOM 626 O ALA A 117 -0.524 -3.540 3.597 1.00 0.00 O ATOM 627 CB ALA A 117 1.520 -2.403 1.260 1.00 0.00 C ATOM 0 H ALA A 117 -0.313 -4.438 1.152 1.00 0.00 H new ATOM 0 HA ALA A 117 2.372 -4.027 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.047 -1.613 1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.071 -2.659 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.522 -2.056 0.991 1.00 0.00 H new ATOM 633 N ARG A 118 1.349 -2.664 4.378 1.00 0.00 N ATOM 634 CA ARG A 118 0.725 -2.267 5.660 1.00 0.00 C ATOM 635 C ARG A 118 0.774 -0.738 5.815 1.00 0.00 C ATOM 636 O ARG A 118 1.804 -0.116 5.634 1.00 0.00 O ATOM 637 CB ARG A 118 1.584 -2.966 6.729 1.00 0.00 C ATOM 638 CG ARG A 118 1.194 -2.502 8.140 1.00 0.00 C ATOM 639 CD ARG A 118 2.452 -2.122 8.930 1.00 0.00 C ATOM 640 NE ARG A 118 1.999 -1.974 10.351 1.00 0.00 N ATOM 641 CZ ARG A 118 2.864 -1.792 11.331 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.156 -1.714 11.103 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.427 -1.689 12.556 1.00 0.00 N ATOM 0 H ARG A 118 2.336 -2.421 4.292 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.325 -2.549 5.734 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.460 -4.046 6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.638 -2.752 6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.521 -1.647 8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.655 -3.296 8.657 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.220 -2.891 8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 118 2.885 -1.194 8.557 1.00 0.00 H new ATOM 0 HE ARG A 118 1.003 -2.015 10.565 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.512 -1.794 10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 118 4.803 -1.573 11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.427 -1.749 12.747 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.085 -1.548 13.322 1.00 0.00 H new ATOM 657 N SER A 119 -0.334 -0.140 6.167 1.00 0.00 N ATOM 658 CA SER A 119 -0.375 1.338 6.355 1.00 0.00 C ATOM 659 C SER A 119 0.023 1.691 7.791 1.00 0.00 C ATOM 660 O SER A 119 -0.636 1.292 8.742 1.00 0.00 O ATOM 661 CB SER A 119 -1.828 1.729 6.096 1.00 0.00 C ATOM 662 OG SER A 119 -1.874 3.056 5.589 1.00 0.00 O ATOM 0 H SER A 119 -1.220 -0.618 6.333 1.00 0.00 H new ATOM 0 HA SER A 119 0.313 1.861 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.281 1.039 5.384 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.405 1.659 7.018 1.00 0.00 H new ATOM 0 HG SER A 119 -2.805 3.310 5.420 1.00 0.00 H new ATOM 668 N LEU A 120 1.092 2.430 7.953 1.00 0.00 N ATOM 669 CA LEU A 120 1.549 2.819 9.323 1.00 0.00 C ATOM 670 C LEU A 120 0.544 3.774 9.975 1.00 0.00 C ATOM 671 O LEU A 120 0.489 3.892 11.185 1.00 0.00 O ATOM 672 CB LEU A 120 2.890 3.530 9.117 1.00 0.00 C ATOM 673 CG LEU A 120 3.923 2.537 8.574 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.845 3.252 7.585 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.757 1.977 9.731 1.00 0.00 C ATOM 0 H LEU A 120 1.671 2.783 7.191 1.00 0.00 H new ATOM 0 HA LEU A 120 1.639 1.952 9.978 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.769 4.361 8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.238 3.952 10.060 1.00 0.00 H new ATOM 0 HG LEU A 120 3.408 1.720 8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.580 2.547 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.255 3.650 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.358 4.070 8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.491 1.271 9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.272 2.794 10.237 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.102 1.467 10.438 1.00 0.00 H new ATOM 687 N ALA A 121 -0.246 4.463 9.185 1.00 0.00 N ATOM 688 CA ALA A 121 -1.246 5.417 9.764 1.00 0.00 C ATOM 689 C ALA A 121 -2.203 4.675 10.699 1.00 0.00 C ATOM 690 O ALA A 121 -2.688 5.225 11.670 1.00 0.00 O ATOM 691 CB ALA A 121 -2.006 5.986 8.565 1.00 0.00 C ATOM 0 H ALA A 121 -0.242 4.406 8.167 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.769 6.203 10.350 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.757 6.695 8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.308 6.495 7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.495 5.175 8.026 1.00 0.00 H new ATOM 697 N THR A 122 -2.465 3.427 10.414 1.00 0.00 N ATOM 698 CA THR A 122 -3.379 2.627 11.281 1.00 0.00 C ATOM 699 C THR A 122 -2.813 1.214 11.498 1.00 0.00 C ATOM 700 O THR A 122 -3.507 0.328 11.957 1.00 0.00 O ATOM 701 CB THR A 122 -4.702 2.565 10.513 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.439 2.288 9.145 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.440 3.902 10.632 1.00 0.00 C ATOM 0 H THR A 122 -2.083 2.924 9.613 1.00 0.00 H new ATOM 0 HA THR A 122 -3.501 3.071 12.269 1.00 0.00 H new ATOM 0 HB THR A 122 -5.325 1.776 10.934 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.285 2.246 8.651 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.380 3.849 10.083 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.645 4.113 11.682 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.821 4.697 10.216 1.00 0.00 H new ATOM 711 N ARG A 123 -1.554 0.994 11.173 1.00 0.00 N ATOM 712 CA ARG A 123 -0.934 -0.362 11.353 1.00 0.00 C ATOM 713 C ARG A 123 -1.803 -1.457 10.726 1.00 0.00 C ATOM 714 O ARG A 123 -1.870 -2.565 11.226 1.00 0.00 O ATOM 715 CB ARG A 123 -0.848 -0.565 12.864 1.00 0.00 C ATOM 716 CG ARG A 123 0.166 0.415 13.453 1.00 0.00 C ATOM 717 CD ARG A 123 0.660 -0.111 14.804 1.00 0.00 C ATOM 718 NE ARG A 123 0.636 1.073 15.737 1.00 0.00 N ATOM 719 CZ ARG A 123 1.314 2.178 15.500 1.00 0.00 C ATOM 720 NH1 ARG A 123 2.173 2.253 14.512 1.00 0.00 N ATOM 721 NH2 ARG A 123 1.160 3.203 16.291 1.00 0.00 N ATOM 0 H ARG A 123 -0.928 1.702 10.789 1.00 0.00 H new ATOM 0 HA ARG A 123 0.040 -0.420 10.867 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.826 -0.410 13.319 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.552 -1.590 13.088 1.00 0.00 H new ATOM 0 HG2 ARG A 123 1.006 0.540 12.770 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.291 1.397 13.578 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.018 -0.912 15.171 1.00 0.00 H new ATOM 0 HD3 ARG A 123 1.666 -0.523 14.720 1.00 0.00 H new ATOM 0 HE ARG A 123 0.073 1.017 16.585 1.00 0.00 H new ATOM 0 HH11 ARG A 123 2.328 1.446 13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 123 2.687 3.119 14.347 1.00 0.00 H new ATOM 0 HH21 ARG A 123 0.520 3.144 17.083 1.00 0.00 H new ATOM 0 HH22 ARG A 123 1.679 4.064 16.118 1.00 0.00 H new ATOM 735 N LYS A 124 -2.449 -1.163 9.627 1.00 0.00 N ATOM 736 CA LYS A 124 -3.297 -2.194 8.955 1.00 0.00 C ATOM 737 C LYS A 124 -2.550 -2.736 7.743 1.00 0.00 C ATOM 738 O LYS A 124 -1.503 -2.239 7.404 1.00 0.00 O ATOM 739 CB LYS A 124 -4.564 -1.459 8.527 1.00 0.00 C ATOM 740 CG LYS A 124 -5.283 -0.923 9.768 1.00 0.00 C ATOM 741 CD LYS A 124 -6.756 -0.668 9.440 1.00 0.00 C ATOM 742 CE LYS A 124 -7.460 -0.097 10.673 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.856 -0.609 10.590 1.00 0.00 N ATOM 0 H LYS A 124 -2.426 -0.254 9.166 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.532 -3.038 9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.312 -0.638 7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.220 -2.132 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.201 -1.639 10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.810 -0.000 10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.839 0.028 8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -7.237 -1.596 9.130 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -6.974 -0.424 11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -7.438 0.993 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.403 -0.260 11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.296 -0.276 9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.846 -1.649 10.601 1.00 0.00 H new ATOM 757 N GLU A 125 -3.073 -3.739 7.091 1.00 0.00 N ATOM 758 CA GLU A 125 -2.367 -4.299 5.890 1.00 0.00 C ATOM 759 C GLU A 125 -3.334 -5.004 4.944 1.00 0.00 C ATOM 760 O GLU A 125 -4.390 -5.461 5.340 1.00 0.00 O ATOM 761 CB GLU A 125 -1.294 -5.281 6.404 1.00 0.00 C ATOM 762 CG GLU A 125 -1.808 -6.121 7.581 1.00 0.00 C ATOM 763 CD GLU A 125 -2.978 -6.997 7.127 1.00 0.00 C ATOM 764 OE1 GLU A 125 -2.904 -7.528 6.032 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.925 -7.124 7.885 1.00 0.00 O ATOM 0 H GLU A 125 -3.953 -4.196 7.332 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.912 -3.490 5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.987 -5.941 5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.410 -4.724 6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.005 -6.746 7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.126 -5.468 8.393 1.00 0.00 H new ATOM 772 N GLY A 126 -2.959 -5.106 3.695 1.00 0.00 N ATOM 773 CA GLY A 126 -3.829 -5.787 2.701 1.00 0.00 C ATOM 774 C GLY A 126 -3.226 -5.651 1.305 1.00 0.00 C ATOM 775 O GLY A 126 -2.036 -5.465 1.146 1.00 0.00 O ATOM 0 H GLY A 126 -2.081 -4.743 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -3.936 -6.840 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.828 -5.351 2.719 1.00 0.00 H new ATOM 779 N TYR A 127 -4.055 -5.727 0.298 1.00 0.00 N ATOM 780 CA TYR A 127 -3.563 -5.609 -1.112 1.00 0.00 C ATOM 781 C TYR A 127 -3.672 -4.160 -1.575 1.00 0.00 C ATOM 782 O TYR A 127 -4.750 -3.598 -1.632 1.00 0.00 O ATOM 783 CB TYR A 127 -4.496 -6.476 -1.983 1.00 0.00 C ATOM 784 CG TYR A 127 -4.841 -7.785 -1.306 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.998 -8.895 -1.431 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.014 -7.877 -0.553 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.332 -10.099 -0.798 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.349 -9.076 0.080 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.508 -10.189 -0.041 1.00 0.00 C ATOM 790 OH TYR A 127 -5.837 -11.375 0.584 1.00 0.00 O ATOM 0 H TYR A 127 -5.061 -5.867 0.390 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.524 -5.929 -1.188 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.412 -5.924 -2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.016 -6.677 -2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.092 -8.823 -2.014 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.663 -7.019 -0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.684 -10.957 -0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.256 -9.145 0.662 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.682 -11.266 1.068 1.00 0.00 H new ATOM 800 N ILE A 128 -2.564 -3.555 -1.911 1.00 0.00 N ATOM 801 CA ILE A 128 -2.598 -2.142 -2.385 1.00 0.00 C ATOM 802 C ILE A 128 -2.541 -2.098 -3.927 1.00 0.00 C ATOM 803 O ILE A 128 -1.757 -2.804 -4.531 1.00 0.00 O ATOM 804 CB ILE A 128 -1.379 -1.448 -1.751 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.084 -2.205 -2.077 1.00 0.00 C ATOM 806 CG2 ILE A 128 -1.559 -1.403 -0.232 1.00 0.00 C ATOM 807 CD1 ILE A 128 1.069 -1.206 -2.201 1.00 0.00 C ATOM 0 H ILE A 128 -1.637 -3.979 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.518 -1.636 -2.094 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.306 -0.439 -2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 128 0.132 -2.932 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.199 -2.762 -3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -0.698 -0.912 0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -2.464 -0.846 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -1.643 -2.419 0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.990 -1.741 -2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.851 -0.496 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.188 -0.669 -1.260 1.00 0.00 H new ATOM 819 N PRO A 129 -3.386 -1.281 -4.531 1.00 0.00 N ATOM 820 CA PRO A 129 -3.403 -1.181 -6.017 1.00 0.00 C ATOM 821 C PRO A 129 -2.029 -0.769 -6.557 1.00 0.00 C ATOM 822 O PRO A 129 -1.700 0.399 -6.619 1.00 0.00 O ATOM 823 CB PRO A 129 -4.444 -0.098 -6.308 1.00 0.00 C ATOM 824 CG PRO A 129 -5.272 0.003 -5.067 1.00 0.00 C ATOM 825 CD PRO A 129 -4.387 -0.397 -3.918 1.00 0.00 C ATOM 0 HA PRO A 129 -3.641 -2.132 -6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -3.966 0.854 -6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -5.058 -0.364 -7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -5.644 1.019 -4.933 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.143 -0.650 -5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -3.921 0.471 -3.452 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -4.951 -0.912 -3.140 1.00 0.00 H new ATOM 833 N SER A 130 -1.234 -1.729 -6.957 1.00 0.00 N ATOM 834 CA SER A 130 0.127 -1.419 -7.503 1.00 0.00 C ATOM 835 C SER A 130 0.044 -0.482 -8.717 1.00 0.00 C ATOM 836 O SER A 130 1.027 0.128 -9.098 1.00 0.00 O ATOM 837 CB SER A 130 0.700 -2.770 -7.934 1.00 0.00 C ATOM 838 OG SER A 130 0.902 -3.579 -6.785 1.00 0.00 O ATOM 0 H SER A 130 -1.469 -2.721 -6.929 1.00 0.00 H new ATOM 0 HA SER A 130 0.744 -0.915 -6.759 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.018 -3.264 -8.626 1.00 0.00 H new ATOM 0 HB3 SER A 130 1.642 -2.627 -8.463 1.00 0.00 H new ATOM 0 HG SER A 130 1.852 -3.806 -6.707 1.00 0.00 H new ATOM 844 N ASN A 131 -1.104 -0.379 -9.344 1.00 0.00 N ATOM 845 CA ASN A 131 -1.222 0.506 -10.548 1.00 0.00 C ATOM 846 C ASN A 131 -1.629 1.941 -10.169 1.00 0.00 C ATOM 847 O ASN A 131 -2.091 2.697 -11.002 1.00 0.00 O ATOM 848 CB ASN A 131 -2.286 -0.150 -11.436 1.00 0.00 C ATOM 849 CG ASN A 131 -3.612 -0.274 -10.678 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.699 -0.972 -9.686 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.660 0.369 -11.116 1.00 0.00 N ATOM 0 H ASN A 131 -1.960 -0.866 -9.077 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.264 0.599 -11.060 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.430 0.442 -12.340 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.947 -1.136 -11.752 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.551 0.286 -10.626 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.588 0.955 -11.948 1.00 0.00 H new ATOM 858 N TYR A 132 -1.449 2.324 -8.928 1.00 0.00 N ATOM 859 CA TYR A 132 -1.798 3.722 -8.502 1.00 0.00 C ATOM 860 C TYR A 132 -0.968 4.103 -7.276 1.00 0.00 C ATOM 861 O TYR A 132 -1.497 4.519 -6.259 1.00 0.00 O ATOM 862 CB TYR A 132 -3.286 3.700 -8.146 1.00 0.00 C ATOM 863 CG TYR A 132 -4.107 3.867 -9.403 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.990 5.038 -10.164 1.00 0.00 C ATOM 865 CD2 TYR A 132 -4.983 2.856 -9.810 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.748 5.194 -11.330 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.741 3.011 -10.976 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.624 4.180 -11.737 1.00 0.00 C ATOM 869 OH TYR A 132 -6.371 4.335 -12.885 1.00 0.00 O ATOM 0 H TYR A 132 -1.075 1.730 -8.188 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.592 4.449 -9.287 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.540 2.760 -7.655 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.514 4.499 -7.441 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.315 5.820 -9.851 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.075 1.954 -9.223 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.657 6.097 -11.916 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.416 2.229 -11.289 1.00 0.00 H new ATOM 0 HH TYR A 132 -6.926 3.539 -13.024 1.00 0.00 H new ATOM 879 N VAL A 133 0.329 3.945 -7.355 1.00 0.00 N ATOM 880 CA VAL A 133 1.188 4.269 -6.180 1.00 0.00 C ATOM 881 C VAL A 133 2.646 4.483 -6.596 1.00 0.00 C ATOM 882 O VAL A 133 3.038 4.200 -7.712 1.00 0.00 O ATOM 883 CB VAL A 133 1.045 3.040 -5.274 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.507 1.776 -6.008 1.00 0.00 C ATOM 885 CG2 VAL A 133 1.873 3.207 -4.005 1.00 0.00 C ATOM 0 H VAL A 133 0.827 3.607 -8.179 1.00 0.00 H new ATOM 0 HA VAL A 133 0.890 5.194 -5.686 1.00 0.00 H new ATOM 0 HB VAL A 133 -0.008 2.943 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.399 0.913 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.898 1.631 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.553 1.884 -6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.757 2.324 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 133 2.923 3.329 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.531 4.087 -3.461 1.00 0.00 H new ATOM 895 N ALA A 134 3.445 4.959 -5.684 1.00 0.00 N ATOM 896 CA ALA A 134 4.896 5.182 -5.976 1.00 0.00 C ATOM 897 C ALA A 134 5.736 4.347 -5.002 1.00 0.00 C ATOM 898 O ALA A 134 5.547 4.409 -3.805 1.00 0.00 O ATOM 899 CB ALA A 134 5.128 6.682 -5.757 1.00 0.00 C ATOM 0 H ALA A 134 3.156 5.207 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 134 5.177 4.886 -6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.173 6.921 -5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.492 7.251 -6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.884 6.941 -4.727 1.00 0.00 H new ATOM 905 N ARG A 135 6.631 3.533 -5.508 1.00 0.00 N ATOM 906 CA ARG A 135 7.446 2.656 -4.625 1.00 0.00 C ATOM 907 C ARG A 135 8.806 3.273 -4.264 1.00 0.00 C ATOM 908 O ARG A 135 9.632 3.532 -5.118 1.00 0.00 O ATOM 909 CB ARG A 135 7.650 1.395 -5.460 1.00 0.00 C ATOM 910 CG ARG A 135 8.381 0.341 -4.632 1.00 0.00 C ATOM 911 CD ARG A 135 7.454 -0.850 -4.362 1.00 0.00 C ATOM 912 NE ARG A 135 7.720 -1.815 -5.477 1.00 0.00 N ATOM 913 CZ ARG A 135 7.222 -3.037 -5.459 1.00 0.00 C ATOM 914 NH1 ARG A 135 6.459 -3.455 -4.473 1.00 0.00 N ATOM 915 NH2 ARG A 135 7.489 -3.848 -6.445 1.00 0.00 N ATOM 0 H ARG A 135 6.830 3.442 -6.504 1.00 0.00 H new ATOM 0 HA ARG A 135 6.950 2.482 -3.670 1.00 0.00 H new ATOM 0 HB2 ARG A 135 6.687 1.007 -5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.224 1.630 -6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.273 0.005 -5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 135 8.714 0.774 -3.689 1.00 0.00 H new ATOM 0 HD2 ARG A 135 7.664 -1.301 -3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 135 6.409 -0.541 -4.350 1.00 0.00 H new ATOM 0 HE ARG A 135 8.297 -1.522 -6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 135 6.239 -2.830 -3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 135 6.087 -4.405 -4.483 1.00 0.00 H new ATOM 0 HH21 ARG A 135 8.077 -3.535 -7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 135 7.110 -4.795 -6.443 1.00 0.00 H new ATOM 929 N VAL A 136 9.052 3.455 -2.992 1.00 0.00 N ATOM 930 CA VAL A 136 10.366 3.996 -2.527 1.00 0.00 C ATOM 931 C VAL A 136 11.250 2.830 -2.032 1.00 0.00 C ATOM 932 O VAL A 136 10.813 1.976 -1.271 1.00 0.00 O ATOM 933 CB VAL A 136 10.042 4.989 -1.397 1.00 0.00 C ATOM 934 CG1 VAL A 136 9.247 6.163 -1.969 1.00 0.00 C ATOM 935 CG2 VAL A 136 9.211 4.322 -0.294 1.00 0.00 C ATOM 0 H VAL A 136 8.389 3.249 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 136 10.918 4.499 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 136 10.982 5.334 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.016 6.869 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 136 9.838 6.663 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.320 5.795 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.998 5.048 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.274 3.957 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 136 9.770 3.486 0.127 1.00 0.00 H new ATOM 945 N ASP A 137 12.481 2.782 -2.485 1.00 0.00 N ATOM 946 CA ASP A 137 13.416 1.688 -2.090 1.00 0.00 C ATOM 947 C ASP A 137 14.872 2.144 -2.235 1.00 0.00 C ATOM 948 O ASP A 137 15.702 1.864 -1.392 1.00 0.00 O ATOM 949 CB ASP A 137 13.114 0.537 -3.053 1.00 0.00 C ATOM 950 CG ASP A 137 13.952 -0.684 -2.669 1.00 0.00 C ATOM 951 OD1 ASP A 137 14.000 -0.997 -1.490 1.00 0.00 O ATOM 952 OD2 ASP A 137 14.532 -1.285 -3.558 1.00 0.00 O ATOM 0 H ASP A 137 12.881 3.469 -3.124 1.00 0.00 H new ATOM 0 HA ASP A 137 13.283 1.394 -1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 137 12.053 0.289 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 137 13.338 0.837 -4.077 1.00 0.00 H new ATOM 957 N SER A 138 15.187 2.832 -3.304 1.00 0.00 N ATOM 958 CA SER A 138 16.591 3.299 -3.511 1.00 0.00 C ATOM 959 C SER A 138 16.600 4.618 -4.288 1.00 0.00 C ATOM 960 O SER A 138 15.543 5.024 -4.740 1.00 0.00 O ATOM 961 CB SER A 138 17.260 2.193 -4.325 1.00 0.00 C ATOM 962 OG SER A 138 18.633 2.513 -4.512 1.00 0.00 O ATOM 0 H SER A 138 14.532 3.090 -4.042 1.00 0.00 H new ATOM 0 HA SER A 138 17.109 3.482 -2.569 1.00 0.00 H new ATOM 0 HB2 SER A 138 17.164 1.237 -3.809 1.00 0.00 H new ATOM 0 HB3 SER A 138 16.765 2.086 -5.290 1.00 0.00 H new ATOM 0 HG SER A 138 19.066 1.805 -5.033 1.00 0.00 H new TER 968 SER A 138