USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=13 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 Set 1.1: A 93 HIS : no HE2:sc= 0.00298 X(o=0.003,f=-0.1) USER MOD Set 1.2: A 94 HIS : no HD1:sc= 0 X(o=0.003,f=-0.2) USER MOD Single : A 78 SER OG : rot 28:sc= 0.586 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 98 SER OG : rot 180:sc= 0.24 USER MOD Single : A 100 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.032) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.06) USER MOD Single : A 105 MET CE :methyl -152:sc= -3.13! (180deg=-5.09!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 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 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 -136:sc= 1.2! USER MOD Single : A 131 ASN : amide:sc= -2.67 K(o=-2.7,f=-8.7!) 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 12.387 5.464 1.773 1.00 0.00 N ATOM 2 CA SER A 78 13.521 6.162 1.100 1.00 0.00 C ATOM 3 C SER A 78 14.572 5.145 0.643 1.00 0.00 C ATOM 4 O SER A 78 15.285 5.368 -0.317 1.00 0.00 O ATOM 5 CB SER A 78 14.100 7.098 2.162 1.00 0.00 C ATOM 6 OG SER A 78 13.037 7.757 2.837 1.00 0.00 O ATOM 0 HA SER A 78 13.202 6.707 0.212 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.702 6.532 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.760 7.830 1.697 1.00 0.00 H new ATOM 0 HG SER A 78 12.237 7.191 2.819 1.00 0.00 H new ATOM 12 N GLU A 79 14.668 4.031 1.324 1.00 0.00 N ATOM 13 CA GLU A 79 15.666 2.991 0.938 1.00 0.00 C ATOM 14 C GLU A 79 15.230 1.624 1.476 1.00 0.00 C ATOM 15 O GLU A 79 16.018 0.894 2.048 1.00 0.00 O ATOM 16 CB GLU A 79 16.980 3.441 1.589 1.00 0.00 C ATOM 17 CG GLU A 79 16.814 3.513 3.112 1.00 0.00 C ATOM 18 CD GLU A 79 17.898 4.413 3.706 1.00 0.00 C ATOM 19 OE1 GLU A 79 18.957 3.899 4.024 1.00 0.00 O ATOM 20 OE2 GLU A 79 17.650 5.600 3.835 1.00 0.00 O ATOM 0 H GLU A 79 14.095 3.797 2.135 1.00 0.00 H new ATOM 0 HA GLU A 79 15.767 2.888 -0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 79 17.779 2.744 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.272 4.416 1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.827 3.902 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.881 2.514 3.543 1.00 0.00 H new ATOM 27 N ASP A 80 13.976 1.279 1.303 1.00 0.00 N ATOM 28 CA ASP A 80 13.481 -0.043 1.818 1.00 0.00 C ATOM 29 C ASP A 80 12.321 -0.559 0.952 1.00 0.00 C ATOM 30 O ASP A 80 12.172 -0.177 -0.189 1.00 0.00 O ATOM 31 CB ASP A 80 13.000 0.239 3.249 1.00 0.00 C ATOM 32 CG ASP A 80 14.159 0.766 4.100 1.00 0.00 C ATOM 33 OD1 ASP A 80 14.343 1.972 4.130 1.00 0.00 O ATOM 34 OD2 ASP A 80 14.841 -0.044 4.706 1.00 0.00 O ATOM 0 H ASP A 80 13.275 1.850 0.831 1.00 0.00 H new ATOM 0 HA ASP A 80 14.257 -0.808 1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.190 0.969 3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.598 -0.672 3.692 1.00 0.00 H new ATOM 39 N ILE A 81 11.500 -1.425 1.488 1.00 0.00 N ATOM 40 CA ILE A 81 10.347 -1.965 0.700 1.00 0.00 C ATOM 41 C ILE A 81 9.077 -1.180 1.040 1.00 0.00 C ATOM 42 O ILE A 81 8.081 -1.765 1.404 1.00 0.00 O ATOM 43 CB ILE A 81 10.230 -3.449 1.146 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.107 -4.220 0.391 1.00 0.00 C ATOM 45 CG2 ILE A 81 9.938 -3.512 2.651 1.00 0.00 C ATOM 46 CD1 ILE A 81 9.032 -3.802 -1.083 1.00 0.00 C ATOM 0 H ILE A 81 11.577 -1.783 2.440 1.00 0.00 H new ATOM 0 HA ILE A 81 10.487 -1.880 -0.378 1.00 0.00 H new ATOM 0 HB ILE A 81 11.181 -3.925 0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.292 -5.292 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.148 -4.032 0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.856 -4.553 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.749 -3.032 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.002 -2.996 2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.238 -4.360 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 81 8.821 -2.735 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.984 -4.014 -1.570 1.00 0.00 H new ATOM 58 N ILE A 82 9.101 0.136 0.946 1.00 0.00 N ATOM 59 CA ILE A 82 7.868 0.915 1.300 1.00 0.00 C ATOM 60 C ILE A 82 7.261 1.564 0.054 1.00 0.00 C ATOM 61 O ILE A 82 7.888 1.632 -0.979 1.00 0.00 O ATOM 62 CB ILE A 82 8.320 1.991 2.300 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.955 1.313 3.521 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.113 2.837 2.756 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.605 2.369 4.420 1.00 0.00 C ATOM 0 H ILE A 82 9.903 0.691 0.646 1.00 0.00 H new ATOM 0 HA ILE A 82 7.100 0.269 1.726 1.00 0.00 H new ATOM 0 HB ILE A 82 9.047 2.643 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.197 0.764 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.701 0.587 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.447 3.595 3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.661 3.322 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.377 2.192 3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.055 1.883 5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.376 2.899 3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.848 3.078 4.755 1.00 0.00 H new ATOM 77 N VAL A 83 6.051 2.052 0.158 1.00 0.00 N ATOM 78 CA VAL A 83 5.391 2.724 -1.008 1.00 0.00 C ATOM 79 C VAL A 83 4.544 3.903 -0.513 1.00 0.00 C ATOM 80 O VAL A 83 4.290 4.044 0.669 1.00 0.00 O ATOM 81 CB VAL A 83 4.464 1.682 -1.662 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.278 0.603 -2.383 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.575 1.026 -0.598 1.00 0.00 C ATOM 0 H VAL A 83 5.486 2.014 1.006 1.00 0.00 H new ATOM 0 HA VAL A 83 6.135 3.095 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 83 3.839 2.196 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.601 -0.121 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.888 1.065 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.925 0.096 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.924 0.291 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.201 0.531 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.968 1.789 -0.111 1.00 0.00 H new ATOM 93 N VAL A 84 4.078 4.729 -1.415 1.00 0.00 N ATOM 94 CA VAL A 84 3.215 5.877 -1.013 1.00 0.00 C ATOM 95 C VAL A 84 1.982 5.913 -1.919 1.00 0.00 C ATOM 96 O VAL A 84 2.096 5.924 -3.133 1.00 0.00 O ATOM 97 CB VAL A 84 4.081 7.152 -1.165 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.225 7.563 -2.637 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.415 8.300 -0.406 1.00 0.00 C ATOM 0 H VAL A 84 4.260 4.656 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 84 2.859 5.795 0.014 1.00 0.00 H new ATOM 0 HB VAL A 84 5.072 6.937 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.839 8.461 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.699 6.756 -3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.239 7.764 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.018 9.202 -0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.422 8.480 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.330 8.038 0.649 1.00 0.00 H new ATOM 109 N ALA A 85 0.812 5.932 -1.344 1.00 0.00 N ATOM 110 CA ALA A 85 -0.417 5.980 -2.180 1.00 0.00 C ATOM 111 C ALA A 85 -0.472 7.321 -2.896 1.00 0.00 C ATOM 112 O ALA A 85 -0.537 8.362 -2.262 1.00 0.00 O ATOM 113 CB ALA A 85 -1.581 5.863 -1.207 1.00 0.00 C ATOM 0 H ALA A 85 0.655 5.916 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.443 5.189 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.521 5.892 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.508 4.921 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.550 6.693 -0.501 1.00 0.00 H new ATOM 119 N LEU A 86 -0.447 7.297 -4.206 1.00 0.00 N ATOM 120 CA LEU A 86 -0.488 8.567 -4.990 1.00 0.00 C ATOM 121 C LEU A 86 -1.927 8.915 -5.392 1.00 0.00 C ATOM 122 O LEU A 86 -2.158 9.903 -6.059 1.00 0.00 O ATOM 123 CB LEU A 86 0.345 8.290 -6.243 1.00 0.00 C ATOM 124 CG LEU A 86 1.820 8.124 -5.865 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.608 7.574 -7.064 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.394 9.484 -5.453 1.00 0.00 C ATOM 0 H LEU A 86 -0.400 6.447 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.106 9.407 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.016 7.388 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.233 9.110 -6.953 1.00 0.00 H new ATOM 0 HG LEU A 86 1.903 7.424 -5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.656 7.458 -6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.200 6.606 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.527 8.267 -7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.444 9.369 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.307 10.183 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.840 9.869 -4.597 1.00 0.00 H new ATOM 138 N TYR A 87 -2.896 8.116 -4.999 1.00 0.00 N ATOM 139 CA TYR A 87 -4.325 8.416 -5.353 1.00 0.00 C ATOM 140 C TYR A 87 -5.235 7.799 -4.284 1.00 0.00 C ATOM 141 O TYR A 87 -4.887 6.817 -3.656 1.00 0.00 O ATOM 142 CB TYR A 87 -4.595 7.775 -6.724 1.00 0.00 C ATOM 143 CG TYR A 87 -3.550 8.203 -7.724 1.00 0.00 C ATOM 144 CD1 TYR A 87 -3.678 9.419 -8.403 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.444 7.380 -7.960 1.00 0.00 C ATOM 146 CE1 TYR A 87 -2.697 9.813 -9.320 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.464 7.770 -8.880 1.00 0.00 C ATOM 148 CZ TYR A 87 -1.590 8.987 -9.560 1.00 0.00 C ATOM 149 OH TYR A 87 -0.622 9.375 -10.465 1.00 0.00 O ATOM 0 H TYR A 87 -2.759 7.269 -4.448 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.517 9.488 -5.396 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.594 6.689 -6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.585 8.063 -7.078 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.533 10.053 -8.220 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.346 6.443 -7.432 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.793 10.753 -9.843 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.612 7.133 -9.065 1.00 0.00 H new ATOM 0 HH TYR A 87 0.076 8.689 -10.511 1.00 0.00 H new ATOM 159 N ASP A 88 -6.383 8.383 -4.058 1.00 0.00 N ATOM 160 CA ASP A 88 -7.313 7.849 -3.013 1.00 0.00 C ATOM 161 C ASP A 88 -7.817 6.450 -3.402 1.00 0.00 C ATOM 162 O ASP A 88 -8.019 6.162 -4.565 1.00 0.00 O ATOM 163 CB ASP A 88 -8.483 8.836 -2.970 1.00 0.00 C ATOM 164 CG ASP A 88 -8.050 10.128 -2.271 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.205 10.052 -1.395 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.574 11.172 -2.624 1.00 0.00 O ATOM 0 H ASP A 88 -6.719 9.209 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.820 7.754 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.822 9.056 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.326 8.391 -2.441 1.00 0.00 H new ATOM 171 N TYR A 89 -8.034 5.588 -2.433 1.00 0.00 N ATOM 172 CA TYR A 89 -8.545 4.210 -2.747 1.00 0.00 C ATOM 173 C TYR A 89 -9.389 3.669 -1.585 1.00 0.00 C ATOM 174 O TYR A 89 -9.348 4.185 -0.484 1.00 0.00 O ATOM 175 CB TYR A 89 -7.303 3.338 -2.954 1.00 0.00 C ATOM 176 CG TYR A 89 -7.742 1.966 -3.415 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.264 1.794 -4.706 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.649 0.869 -2.546 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.693 0.527 -5.126 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.074 -0.400 -2.968 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.598 -0.569 -4.258 1.00 0.00 C ATOM 182 OH TYR A 89 -9.020 -1.816 -4.673 1.00 0.00 O ATOM 0 H TYR A 89 -7.880 5.777 -1.443 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.184 4.215 -3.630 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.643 3.791 -3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.737 3.261 -2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.335 2.638 -5.376 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.250 1.001 -1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.097 0.396 -6.119 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.998 -1.245 -2.300 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.884 -2.464 -3.951 1.00 0.00 H new ATOM 192 N GLU A 90 -10.162 2.636 -1.833 1.00 0.00 N ATOM 193 CA GLU A 90 -11.024 2.051 -0.756 1.00 0.00 C ATOM 194 C GLU A 90 -10.985 0.516 -0.801 1.00 0.00 C ATOM 195 O GLU A 90 -11.262 -0.088 -1.820 1.00 0.00 O ATOM 196 CB GLU A 90 -12.436 2.546 -1.065 1.00 0.00 C ATOM 197 CG GLU A 90 -13.305 2.415 0.189 1.00 0.00 C ATOM 198 CD GLU A 90 -14.660 3.092 -0.042 1.00 0.00 C ATOM 199 OE1 GLU A 90 -15.098 3.135 -1.182 1.00 0.00 O ATOM 200 OE2 GLU A 90 -15.240 3.551 0.927 1.00 0.00 O ATOM 0 H GLU A 90 -10.232 2.172 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.686 2.349 0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.406 3.585 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.866 1.966 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.451 1.363 0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.801 2.872 1.041 1.00 0.00 H new ATOM 207 N ALA A 91 -10.654 -0.116 0.302 1.00 0.00 N ATOM 208 CA ALA A 91 -10.601 -1.618 0.341 1.00 0.00 C ATOM 209 C ALA A 91 -11.886 -2.236 -0.231 1.00 0.00 C ATOM 210 O ALA A 91 -12.868 -1.554 -0.455 1.00 0.00 O ATOM 211 CB ALA A 91 -10.465 -1.975 1.822 1.00 0.00 C ATOM 0 H ALA A 91 -10.417 0.344 1.181 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.776 -2.001 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.420 -3.058 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.553 -1.531 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.325 -1.590 2.370 1.00 0.00 H new ATOM 217 N ILE A 92 -11.874 -3.523 -0.469 1.00 0.00 N ATOM 218 CA ILE A 92 -13.082 -4.202 -1.024 1.00 0.00 C ATOM 219 C ILE A 92 -12.929 -5.725 -0.911 1.00 0.00 C ATOM 220 O ILE A 92 -13.311 -6.463 -1.798 1.00 0.00 O ATOM 221 CB ILE A 92 -13.145 -3.752 -2.490 1.00 0.00 C ATOM 222 CG1 ILE A 92 -14.404 -4.326 -3.154 1.00 0.00 C ATOM 223 CG2 ILE A 92 -11.903 -4.236 -3.247 1.00 0.00 C ATOM 224 CD1 ILE A 92 -15.036 -3.262 -4.057 1.00 0.00 C ATOM 0 H ILE A 92 -11.075 -4.135 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 92 -13.995 -3.945 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 92 -13.179 -2.663 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -14.149 -5.210 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -15.117 -4.643 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.960 -3.910 -4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -11.009 -3.818 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.856 -5.324 -3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -15.930 -3.670 -4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -15.306 -2.391 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -14.322 -2.967 -4.826 1.00 0.00 H new ATOM 236 N HIS A 93 -12.372 -6.189 0.178 1.00 0.00 N ATOM 237 CA HIS A 93 -12.189 -7.661 0.374 1.00 0.00 C ATOM 238 C HIS A 93 -11.762 -7.940 1.820 1.00 0.00 C ATOM 239 O HIS A 93 -11.885 -7.092 2.684 1.00 0.00 O ATOM 240 CB HIS A 93 -11.085 -8.066 -0.613 1.00 0.00 C ATOM 241 CG HIS A 93 -11.525 -9.268 -1.403 1.00 0.00 C ATOM 242 ND1 HIS A 93 -12.209 -9.153 -2.604 1.00 0.00 N ATOM 243 CD2 HIS A 93 -11.397 -10.615 -1.173 1.00 0.00 C ATOM 244 CE1 HIS A 93 -12.464 -10.397 -3.046 1.00 0.00 C ATOM 245 NE2 HIS A 93 -11.990 -11.327 -2.212 1.00 0.00 N ATOM 0 H HIS A 93 -12.034 -5.609 0.945 1.00 0.00 H new ATOM 0 HA HIS A 93 -13.105 -8.224 0.197 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -10.864 -7.238 -1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -10.166 -8.291 -0.072 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -12.471 -8.283 -3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -10.910 -11.056 -0.316 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -12.988 -10.618 -3.964 1.00 0.00 H new ATOM 253 N HIS A 94 -11.270 -9.124 2.091 1.00 0.00 N ATOM 254 CA HIS A 94 -10.846 -9.466 3.487 1.00 0.00 C ATOM 255 C HIS A 94 -9.593 -8.678 3.887 1.00 0.00 C ATOM 256 O HIS A 94 -9.663 -7.741 4.662 1.00 0.00 O ATOM 257 CB HIS A 94 -10.546 -10.967 3.459 1.00 0.00 C ATOM 258 CG HIS A 94 -11.832 -11.733 3.315 1.00 0.00 C ATOM 259 ND1 HIS A 94 -12.337 -12.104 2.078 1.00 0.00 N ATOM 260 CD2 HIS A 94 -12.733 -12.196 4.241 1.00 0.00 C ATOM 261 CE1 HIS A 94 -13.493 -12.759 2.292 1.00 0.00 C ATOM 262 NE2 HIS A 94 -13.782 -12.842 3.593 1.00 0.00 N ATOM 0 H HIS A 94 -11.143 -9.869 1.406 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.617 -9.214 4.215 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.877 -11.200 2.630 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.034 -11.264 4.375 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -12.642 -12.077 5.311 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -14.112 -13.168 1.507 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -14.596 -13.284 4.020 1.00 0.00 H new ATOM 270 N GLU A 95 -8.448 -9.057 3.371 1.00 0.00 N ATOM 271 CA GLU A 95 -7.187 -8.336 3.725 1.00 0.00 C ATOM 272 C GLU A 95 -6.942 -7.185 2.746 1.00 0.00 C ATOM 273 O GLU A 95 -5.871 -7.058 2.193 1.00 0.00 O ATOM 274 CB GLU A 95 -6.074 -9.391 3.616 1.00 0.00 C ATOM 275 CG GLU A 95 -4.943 -9.089 4.618 1.00 0.00 C ATOM 276 CD GLU A 95 -5.491 -9.142 6.048 1.00 0.00 C ATOM 277 OE1 GLU A 95 -5.874 -10.218 6.477 1.00 0.00 O ATOM 278 OE2 GLU A 95 -5.518 -8.103 6.689 1.00 0.00 O ATOM 0 H GLU A 95 -8.334 -9.834 2.720 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.230 -7.898 4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.484 -10.382 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.675 -9.404 2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.137 -9.813 4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.519 -8.105 4.417 1.00 0.00 H new ATOM 285 N ASP A 96 -7.927 -6.345 2.533 1.00 0.00 N ATOM 286 CA ASP A 96 -7.747 -5.194 1.595 1.00 0.00 C ATOM 287 C ASP A 96 -7.477 -3.917 2.395 1.00 0.00 C ATOM 288 O ASP A 96 -8.201 -3.585 3.316 1.00 0.00 O ATOM 289 CB ASP A 96 -9.058 -5.098 0.815 1.00 0.00 C ATOM 290 CG ASP A 96 -8.753 -4.866 -0.667 1.00 0.00 C ATOM 291 OD1 ASP A 96 -7.842 -4.106 -0.951 1.00 0.00 O ATOM 292 OD2 ASP A 96 -9.433 -5.454 -1.491 1.00 0.00 O ATOM 0 H ASP A 96 -8.847 -6.408 2.969 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.901 -5.328 0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.636 -6.014 0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.667 -4.282 1.204 1.00 0.00 H new ATOM 297 N LEU A 97 -6.425 -3.215 2.062 1.00 0.00 N ATOM 298 CA LEU A 97 -6.073 -1.970 2.810 1.00 0.00 C ATOM 299 C LEU A 97 -6.364 -0.727 1.963 1.00 0.00 C ATOM 300 O LEU A 97 -5.934 -0.621 0.830 1.00 0.00 O ATOM 301 CB LEU A 97 -4.571 -2.110 3.076 1.00 0.00 C ATOM 302 CG LEU A 97 -4.042 -0.876 3.812 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.573 -0.867 5.246 1.00 0.00 C ATOM 304 CD2 LEU A 97 -2.509 -0.918 3.830 1.00 0.00 C ATOM 0 H LEU A 97 -5.790 -3.452 1.299 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.651 -1.852 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.382 -3.004 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.038 -2.235 2.133 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.377 0.027 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.195 0.012 5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.663 -0.840 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.240 -1.767 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.127 -0.041 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.176 -1.820 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.133 -0.922 2.807 1.00 0.00 H new ATOM 316 N SER A 98 -7.076 0.220 2.520 1.00 0.00 N ATOM 317 CA SER A 98 -7.390 1.468 1.770 1.00 0.00 C ATOM 318 C SER A 98 -6.360 2.548 2.100 1.00 0.00 C ATOM 319 O SER A 98 -5.486 2.352 2.923 1.00 0.00 O ATOM 320 CB SER A 98 -8.776 1.902 2.253 1.00 0.00 C ATOM 321 OG SER A 98 -9.585 0.757 2.489 1.00 0.00 O ATOM 0 H SER A 98 -7.454 0.179 3.467 1.00 0.00 H new ATOM 0 HA SER A 98 -7.368 1.309 0.692 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.685 2.489 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.246 2.543 1.508 1.00 0.00 H new ATOM 0 HG SER A 98 -10.470 1.040 2.800 1.00 0.00 H new ATOM 327 N PHE A 99 -6.461 3.691 1.468 1.00 0.00 N ATOM 328 CA PHE A 99 -5.489 4.799 1.745 1.00 0.00 C ATOM 329 C PHE A 99 -5.915 6.082 1.019 1.00 0.00 C ATOM 330 O PHE A 99 -7.034 6.192 0.544 1.00 0.00 O ATOM 331 CB PHE A 99 -4.112 4.308 1.257 1.00 0.00 C ATOM 332 CG PHE A 99 -4.209 3.651 -0.107 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.293 4.438 -1.258 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.201 2.256 -0.213 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.367 3.832 -2.519 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.279 1.648 -1.471 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.362 2.436 -2.625 1.00 0.00 C ATOM 0 H PHE A 99 -7.174 3.907 0.771 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.454 5.040 2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.420 5.149 1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.702 3.599 1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.301 5.515 -1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.135 1.648 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.428 4.441 -3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.275 0.571 -1.552 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.422 1.967 -3.596 1.00 0.00 H new ATOM 347 N GLN A 100 -5.045 7.062 0.955 1.00 0.00 N ATOM 348 CA GLN A 100 -5.410 8.347 0.289 1.00 0.00 C ATOM 349 C GLN A 100 -4.417 8.707 -0.822 1.00 0.00 C ATOM 350 O GLN A 100 -3.526 7.955 -1.160 1.00 0.00 O ATOM 351 CB GLN A 100 -5.382 9.401 1.407 1.00 0.00 C ATOM 352 CG GLN A 100 -6.793 9.947 1.645 1.00 0.00 C ATOM 353 CD GLN A 100 -6.951 10.347 3.113 1.00 0.00 C ATOM 354 OE1 GLN A 100 -7.284 11.475 3.415 1.00 0.00 O ATOM 355 NE2 GLN A 100 -6.722 9.461 4.046 1.00 0.00 N ATOM 0 H GLN A 100 -4.099 7.025 1.336 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.386 8.283 -0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.994 8.960 2.325 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.709 10.214 1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.973 10.809 1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.534 9.192 1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.442 8.514 3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.823 9.717 5.028 1.00 0.00 H new ATOM 364 N LYS A 101 -4.622 9.846 -1.416 1.00 0.00 N ATOM 365 CA LYS A 101 -3.766 10.309 -2.555 1.00 0.00 C ATOM 366 C LYS A 101 -2.289 10.490 -2.220 1.00 0.00 C ATOM 367 O LYS A 101 -1.447 10.494 -3.099 1.00 0.00 O ATOM 368 CB LYS A 101 -4.362 11.639 -2.960 1.00 0.00 C ATOM 369 CG LYS A 101 -3.776 12.059 -4.297 1.00 0.00 C ATOM 370 CD LYS A 101 -4.869 12.720 -5.134 1.00 0.00 C ATOM 371 CE LYS A 101 -5.873 11.657 -5.594 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.026 12.428 -6.137 1.00 0.00 N ATOM 0 H LYS A 101 -5.364 10.496 -1.157 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.769 9.551 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.447 11.558 -3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.149 12.393 -2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.948 12.752 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.374 11.192 -4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.377 13.486 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.429 13.218 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.440 11.007 -6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.180 11.019 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.757 11.769 -6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.422 13.033 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.705 13.021 -6.928 1.00 0.00 H new ATOM 386 N GLY A 102 -1.977 10.679 -0.988 1.00 0.00 N ATOM 387 CA GLY A 102 -0.554 10.895 -0.592 1.00 0.00 C ATOM 388 C GLY A 102 -0.286 10.180 0.723 1.00 0.00 C ATOM 389 O GLY A 102 0.334 10.720 1.619 1.00 0.00 O ATOM 0 H GLY A 102 -2.646 10.696 -0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.113 10.518 -1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.351 11.961 -0.488 1.00 0.00 H new ATOM 393 N ASP A 103 -0.749 8.965 0.842 1.00 0.00 N ATOM 394 CA ASP A 103 -0.516 8.202 2.119 1.00 0.00 C ATOM 395 C ASP A 103 0.780 7.394 2.040 1.00 0.00 C ATOM 396 O ASP A 103 1.343 7.216 0.984 1.00 0.00 O ATOM 397 CB ASP A 103 -1.724 7.283 2.307 1.00 0.00 C ATOM 398 CG ASP A 103 -2.797 8.013 3.121 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.882 9.226 3.007 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.517 7.345 3.843 1.00 0.00 O ATOM 0 H ASP A 103 -1.274 8.466 0.124 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.410 8.880 2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.125 6.989 1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.423 6.369 2.818 1.00 0.00 H new ATOM 405 N GLN A 104 1.251 6.901 3.156 1.00 0.00 N ATOM 406 CA GLN A 104 2.500 6.107 3.163 1.00 0.00 C ATOM 407 C GLN A 104 2.244 4.719 3.742 1.00 0.00 C ATOM 408 O GLN A 104 1.899 4.567 4.899 1.00 0.00 O ATOM 409 CB GLN A 104 3.454 6.893 4.058 1.00 0.00 C ATOM 410 CG GLN A 104 4.249 7.882 3.211 1.00 0.00 C ATOM 411 CD GLN A 104 5.604 8.136 3.870 1.00 0.00 C ATOM 412 OE1 GLN A 104 5.982 9.269 4.095 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.355 7.118 4.197 1.00 0.00 N ATOM 0 H GLN A 104 0.813 7.020 4.070 1.00 0.00 H new ATOM 0 HA GLN A 104 2.903 5.959 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.893 7.425 4.827 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.132 6.211 4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.389 7.486 2.205 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.699 8.818 3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.037 6.168 4.008 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.260 7.274 4.642 1.00 0.00 H new ATOM 422 N MET A 105 2.434 3.713 2.941 1.00 0.00 N ATOM 423 CA MET A 105 2.240 2.314 3.409 1.00 0.00 C ATOM 424 C MET A 105 3.475 1.530 3.022 1.00 0.00 C ATOM 425 O MET A 105 4.070 1.799 1.997 1.00 0.00 O ATOM 426 CB MET A 105 1.031 1.781 2.643 1.00 0.00 C ATOM 427 CG MET A 105 -0.195 2.647 2.924 1.00 0.00 C ATOM 428 SD MET A 105 -1.577 2.043 1.927 1.00 0.00 S ATOM 429 CE MET A 105 -0.925 2.544 0.318 1.00 0.00 C ATOM 0 H MET A 105 2.720 3.801 1.966 1.00 0.00 H new ATOM 0 HA MET A 105 2.084 2.241 4.485 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.243 1.774 1.574 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.832 0.750 2.935 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.449 2.609 3.983 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.016 3.689 2.684 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.752 2.736 -0.366 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.331 3.451 0.432 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.299 1.748 -0.085 1.00 0.00 H new ATOM 439 N VAL A 106 3.875 0.573 3.809 1.00 0.00 N ATOM 440 CA VAL A 106 5.085 -0.199 3.429 1.00 0.00 C ATOM 441 C VAL A 106 4.646 -1.503 2.766 1.00 0.00 C ATOM 442 O VAL A 106 3.554 -1.976 2.993 1.00 0.00 O ATOM 443 CB VAL A 106 5.910 -0.438 4.719 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.012 0.855 5.545 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.270 -1.533 5.572 1.00 0.00 C ATOM 0 H VAL A 106 3.426 0.296 4.682 1.00 0.00 H new ATOM 0 HA VAL A 106 5.709 0.335 2.713 1.00 0.00 H new ATOM 0 HB VAL A 106 6.910 -0.753 4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.595 0.666 6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.501 1.628 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.012 1.189 5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.864 -1.686 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.259 -1.234 5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.230 -2.461 5.002 1.00 0.00 H new ATOM 455 N VAL A 107 5.484 -2.083 1.960 1.00 0.00 N ATOM 456 CA VAL A 107 5.102 -3.351 1.281 1.00 0.00 C ATOM 457 C VAL A 107 5.589 -4.547 2.105 1.00 0.00 C ATOM 458 O VAL A 107 6.679 -4.557 2.645 1.00 0.00 O ATOM 459 CB VAL A 107 5.780 -3.285 -0.101 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.734 -4.654 -0.800 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.033 -2.271 -0.964 1.00 0.00 C ATOM 0 H VAL A 107 6.418 -1.736 1.740 1.00 0.00 H new ATOM 0 HA VAL A 107 4.024 -3.472 1.178 1.00 0.00 H new ATOM 0 HB VAL A 107 6.822 -2.993 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 107 6.219 -4.582 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.254 -5.392 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.696 -4.960 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.502 -2.213 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.995 -2.583 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.068 -1.291 -0.487 1.00 0.00 H new ATOM 471 N LEU A 108 4.770 -5.549 2.183 1.00 0.00 N ATOM 472 CA LEU A 108 5.111 -6.779 2.946 1.00 0.00 C ATOM 473 C LEU A 108 5.712 -7.806 1.980 1.00 0.00 C ATOM 474 O LEU A 108 6.550 -8.610 2.342 1.00 0.00 O ATOM 475 CB LEU A 108 3.757 -7.294 3.459 1.00 0.00 C ATOM 476 CG LEU A 108 3.272 -6.490 4.673 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.482 -5.276 4.209 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.355 -7.376 5.530 1.00 0.00 C ATOM 0 H LEU A 108 3.852 -5.570 1.738 1.00 0.00 H new ATOM 0 HA LEU A 108 5.825 -6.602 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.017 -7.232 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.846 -8.346 3.730 1.00 0.00 H new ATOM 0 HG LEU A 108 4.135 -6.164 5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.141 -4.710 5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.118 -4.643 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.620 -5.603 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.007 -6.811 6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.498 -7.695 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.908 -8.252 5.868 1.00 0.00 H new ATOM 490 N GLU A 109 5.283 -7.764 0.745 1.00 0.00 N ATOM 491 CA GLU A 109 5.807 -8.707 -0.284 1.00 0.00 C ATOM 492 C GLU A 109 5.619 -8.093 -1.673 1.00 0.00 C ATOM 493 O GLU A 109 4.825 -7.188 -1.851 1.00 0.00 O ATOM 494 CB GLU A 109 4.970 -9.978 -0.136 1.00 0.00 C ATOM 495 CG GLU A 109 5.622 -10.895 0.900 1.00 0.00 C ATOM 496 CD GLU A 109 5.341 -12.354 0.540 1.00 0.00 C ATOM 497 OE1 GLU A 109 5.629 -12.732 -0.584 1.00 0.00 O ATOM 498 OE2 GLU A 109 4.844 -13.069 1.394 1.00 0.00 O ATOM 0 H GLU A 109 4.582 -7.107 0.403 1.00 0.00 H new ATOM 0 HA GLU A 109 6.869 -8.918 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.956 -9.725 0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.893 -10.490 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.697 -10.718 0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.233 -10.673 1.894 1.00 0.00 H new ATOM 505 N GLU A 110 6.334 -8.575 -2.655 1.00 0.00 N ATOM 506 CA GLU A 110 6.186 -8.017 -4.036 1.00 0.00 C ATOM 507 C GLU A 110 5.367 -8.977 -4.903 1.00 0.00 C ATOM 508 O GLU A 110 5.460 -10.182 -4.762 1.00 0.00 O ATOM 509 CB GLU A 110 7.611 -7.892 -4.571 1.00 0.00 C ATOM 510 CG GLU A 110 8.297 -6.698 -3.908 1.00 0.00 C ATOM 511 CD GLU A 110 9.727 -6.577 -4.436 1.00 0.00 C ATOM 512 OE1 GLU A 110 9.881 -6.308 -5.616 1.00 0.00 O ATOM 513 OE2 GLU A 110 10.644 -6.757 -3.652 1.00 0.00 O ATOM 0 H GLU A 110 7.014 -9.330 -2.563 1.00 0.00 H new ATOM 0 HA GLU A 110 5.667 -7.058 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.169 -8.806 -4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.595 -7.762 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.742 -5.783 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.307 -6.825 -2.825 1.00 0.00 H new ATOM 520 N SER A 111 4.562 -8.454 -5.796 1.00 0.00 N ATOM 521 CA SER A 111 3.734 -9.337 -6.673 1.00 0.00 C ATOM 522 C SER A 111 3.713 -8.794 -8.108 1.00 0.00 C ATOM 523 O SER A 111 4.403 -9.293 -8.977 1.00 0.00 O ATOM 524 CB SER A 111 2.333 -9.311 -6.059 1.00 0.00 C ATOM 525 OG SER A 111 1.400 -9.823 -7.003 1.00 0.00 O ATOM 0 H SER A 111 4.443 -7.453 -5.955 1.00 0.00 H new ATOM 0 HA SER A 111 4.130 -10.351 -6.729 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.311 -9.908 -5.147 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.064 -8.292 -5.779 1.00 0.00 H new ATOM 0 HG SER A 111 0.501 -9.810 -6.614 1.00 0.00 H new ATOM 531 N GLY A 112 2.925 -7.775 -8.361 1.00 0.00 N ATOM 532 CA GLY A 112 2.855 -7.196 -9.736 1.00 0.00 C ATOM 533 C GLY A 112 1.781 -6.105 -9.778 1.00 0.00 C ATOM 534 O GLY A 112 2.069 -4.935 -9.607 1.00 0.00 O ATOM 0 H GLY A 112 2.327 -7.320 -7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.823 -6.779 -10.016 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.623 -7.977 -10.460 1.00 0.00 H new ATOM 538 N GLU A 113 0.549 -6.484 -9.995 1.00 0.00 N ATOM 539 CA GLU A 113 -0.554 -5.478 -10.039 1.00 0.00 C ATOM 540 C GLU A 113 -1.223 -5.350 -8.664 1.00 0.00 C ATOM 541 O GLU A 113 -1.985 -4.431 -8.426 1.00 0.00 O ATOM 542 CB GLU A 113 -1.545 -6.022 -11.069 1.00 0.00 C ATOM 543 CG GLU A 113 -1.169 -5.496 -12.456 1.00 0.00 C ATOM 544 CD GLU A 113 -1.498 -4.004 -12.540 1.00 0.00 C ATOM 545 OE1 GLU A 113 -2.640 -3.656 -12.294 1.00 0.00 O ATOM 546 OE2 GLU A 113 -0.602 -3.236 -12.847 1.00 0.00 O ATOM 0 H GLU A 113 0.258 -7.450 -10.144 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.191 -4.485 -10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.531 -7.112 -11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.559 -5.715 -10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.107 -5.657 -12.642 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.714 -6.044 -13.225 1.00 0.00 H new ATOM 553 N TRP A 114 -0.955 -6.268 -7.765 1.00 0.00 N ATOM 554 CA TRP A 114 -1.581 -6.211 -6.412 1.00 0.00 C ATOM 555 C TRP A 114 -0.522 -6.444 -5.330 1.00 0.00 C ATOM 556 O TRP A 114 -0.199 -7.574 -5.017 1.00 0.00 O ATOM 557 CB TRP A 114 -2.587 -7.364 -6.402 1.00 0.00 C ATOM 558 CG TRP A 114 -3.904 -6.905 -6.941 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.472 -7.348 -8.087 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.831 -5.936 -6.374 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.686 -6.708 -8.259 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.952 -5.829 -7.230 1.00 0.00 C ATOM 563 CE3 TRP A 114 -4.807 -5.146 -5.211 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -7.012 -4.971 -6.943 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -5.874 -4.279 -4.918 1.00 0.00 C ATOM 566 CH2 TRP A 114 -6.975 -4.193 -5.783 1.00 0.00 C ATOM 0 H TRP A 114 -0.326 -7.057 -7.915 1.00 0.00 H new ATOM 0 HA TRP A 114 -2.045 -5.245 -6.213 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.209 -8.192 -7.002 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -2.712 -7.738 -5.386 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.047 -8.081 -8.757 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -6.309 -6.867 -9.051 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -3.964 -5.206 -4.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.857 -4.908 -7.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -5.846 -3.676 -4.022 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.793 -3.526 -5.553 1.00 0.00 H new ATOM 577 N TRP A 115 0.016 -5.397 -4.750 1.00 0.00 N ATOM 578 CA TRP A 115 1.048 -5.592 -3.685 1.00 0.00 C ATOM 579 C TRP A 115 0.385 -5.559 -2.311 1.00 0.00 C ATOM 580 O TRP A 115 -0.560 -4.823 -2.084 1.00 0.00 O ATOM 581 CB TRP A 115 2.025 -4.411 -3.795 1.00 0.00 C ATOM 582 CG TRP A 115 2.569 -4.260 -5.187 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.656 -5.238 -6.126 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.114 -3.057 -5.803 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.218 -4.704 -7.276 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.515 -3.363 -7.126 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.294 -1.741 -5.341 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.076 -2.393 -7.960 1.00 0.00 C ATOM 589 CZ3 TRP A 115 3.857 -0.764 -6.177 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.247 -1.089 -7.484 1.00 0.00 C ATOM 0 H TRP A 115 -0.212 -4.427 -4.966 1.00 0.00 H new ATOM 0 HA TRP A 115 1.556 -6.549 -3.806 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.517 -3.492 -3.502 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.850 -4.556 -3.097 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.340 -6.263 -5.998 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.391 -5.236 -8.129 1.00 0.00 H new ATOM 0 HE3 TRP A 115 2.997 -1.480 -4.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.376 -2.648 -8.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 3.990 0.243 -5.812 1.00 0.00 H new ATOM 0 HH2 TRP A 115 4.679 -0.333 -8.123 1.00 0.00 H new ATOM 601 N LYS A 116 0.892 -6.329 -1.387 1.00 0.00 N ATOM 602 CA LYS A 116 0.315 -6.337 -0.010 1.00 0.00 C ATOM 603 C LYS A 116 1.120 -5.370 0.867 1.00 0.00 C ATOM 604 O LYS A 116 2.298 -5.570 1.064 1.00 0.00 O ATOM 605 CB LYS A 116 0.483 -7.782 0.479 1.00 0.00 C ATOM 606 CG LYS A 116 -0.853 -8.313 1.006 1.00 0.00 C ATOM 607 CD LYS A 116 -0.677 -9.761 1.470 1.00 0.00 C ATOM 608 CE LYS A 116 -1.496 -9.994 2.742 1.00 0.00 C ATOM 609 NZ LYS A 116 -1.637 -11.475 2.842 1.00 0.00 N ATOM 0 H LYS A 116 1.684 -6.956 -1.526 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.729 -6.024 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.838 -8.412 -0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.236 -7.824 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.202 -7.694 1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.612 -8.259 0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -1.000 -10.447 0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.376 -9.967 1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.991 -9.585 3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.470 -9.508 2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.188 -11.715 3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.127 -11.835 1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.695 -11.910 2.907 1.00 0.00 H new ATOM 623 N ALA A 117 0.512 -4.322 1.377 1.00 0.00 N ATOM 624 CA ALA A 117 1.288 -3.353 2.214 1.00 0.00 C ATOM 625 C ALA A 117 0.600 -3.055 3.555 1.00 0.00 C ATOM 626 O ALA A 117 -0.564 -3.352 3.765 1.00 0.00 O ATOM 627 CB ALA A 117 1.357 -2.082 1.374 1.00 0.00 C ATOM 0 H ALA A 117 -0.475 -4.099 1.251 1.00 0.00 H new ATOM 0 HA ALA A 117 2.268 -3.758 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.912 -1.317 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.861 -2.296 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.347 -1.724 1.173 1.00 0.00 H new ATOM 633 N ARG A 118 1.330 -2.456 4.463 1.00 0.00 N ATOM 634 CA ARG A 118 0.775 -2.110 5.795 1.00 0.00 C ATOM 635 C ARG A 118 0.735 -0.585 5.966 1.00 0.00 C ATOM 636 O ARG A 118 1.737 0.092 5.837 1.00 0.00 O ATOM 637 CB ARG A 118 1.756 -2.766 6.770 1.00 0.00 C ATOM 638 CG ARG A 118 1.466 -2.334 8.213 1.00 0.00 C ATOM 639 CD ARG A 118 2.738 -1.748 8.834 1.00 0.00 C ATOM 640 NE ARG A 118 3.674 -2.908 8.971 1.00 0.00 N ATOM 641 CZ ARG A 118 4.954 -2.729 9.220 1.00 0.00 C ATOM 642 NH1 ARG A 118 5.477 -1.529 9.322 1.00 0.00 N ATOM 643 NH2 ARG A 118 5.725 -3.773 9.357 1.00 0.00 N ATOM 0 H ARG A 118 2.305 -2.190 4.328 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.248 -2.453 5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.684 -3.851 6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.777 -2.494 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.666 -1.594 8.229 1.00 0.00 H new ATOM 0 HG3 ARG A 118 1.122 -3.187 8.798 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.164 -0.970 8.200 1.00 0.00 H new ATOM 0 HD3 ARG A 118 2.530 -1.292 9.802 1.00 0.00 H new ATOM 0 HE ARG A 118 3.313 -3.856 8.869 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.888 -0.704 9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 118 6.473 -1.421 9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 118 5.334 -4.711 9.271 1.00 0.00 H new ATOM 0 HH22 ARG A 118 6.719 -3.651 9.550 1.00 0.00 H new ATOM 657 N SER A 119 -0.421 -0.051 6.263 1.00 0.00 N ATOM 658 CA SER A 119 -0.549 1.421 6.453 1.00 0.00 C ATOM 659 C SER A 119 -0.159 1.798 7.883 1.00 0.00 C ATOM 660 O SER A 119 -0.777 1.364 8.844 1.00 0.00 O ATOM 661 CB SER A 119 -2.023 1.732 6.205 1.00 0.00 C ATOM 662 OG SER A 119 -2.164 3.112 5.904 1.00 0.00 O ATOM 0 H SER A 119 -1.287 -0.577 6.383 1.00 0.00 H new ATOM 0 HA SER A 119 0.101 1.981 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.401 1.127 5.381 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.614 1.477 7.085 1.00 0.00 H new ATOM 0 HG SER A 119 -3.109 3.317 5.742 1.00 0.00 H new ATOM 668 N LEU A 120 0.860 2.607 8.022 1.00 0.00 N ATOM 669 CA LEU A 120 1.312 3.029 9.383 1.00 0.00 C ATOM 670 C LEU A 120 0.297 3.994 10.008 1.00 0.00 C ATOM 671 O LEU A 120 0.257 4.162 11.212 1.00 0.00 O ATOM 672 CB LEU A 120 2.656 3.733 9.167 1.00 0.00 C ATOM 673 CG LEU A 120 3.647 2.759 8.520 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.566 3.524 7.567 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.487 2.087 9.608 1.00 0.00 C ATOM 0 H LEU A 120 1.401 2.995 7.249 1.00 0.00 H new ATOM 0 HA LEU A 120 1.404 2.180 10.061 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.522 4.608 8.531 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.049 4.089 10.119 1.00 0.00 H new ATOM 0 HG LEU A 120 3.098 1.999 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.271 2.831 7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.968 4.002 6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.115 4.284 8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.192 1.394 9.148 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.036 2.846 10.165 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.833 1.541 10.287 1.00 0.00 H new ATOM 687 N ALA A 121 -0.525 4.626 9.198 1.00 0.00 N ATOM 688 CA ALA A 121 -1.544 5.572 9.751 1.00 0.00 C ATOM 689 C ALA A 121 -2.484 4.826 10.704 1.00 0.00 C ATOM 690 O ALA A 121 -3.040 5.403 11.619 1.00 0.00 O ATOM 691 CB ALA A 121 -2.314 6.094 8.532 1.00 0.00 C ATOM 0 H ALA A 121 -0.532 4.526 8.183 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.090 6.385 10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.081 6.796 8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.625 6.599 7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.784 5.258 8.013 1.00 0.00 H new ATOM 697 N THR A 122 -2.649 3.544 10.496 1.00 0.00 N ATOM 698 CA THR A 122 -3.534 2.739 11.388 1.00 0.00 C ATOM 699 C THR A 122 -2.883 1.386 11.718 1.00 0.00 C ATOM 700 O THR A 122 -3.520 0.506 12.265 1.00 0.00 O ATOM 701 CB THR A 122 -4.821 2.531 10.583 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.490 2.095 9.273 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.608 3.843 10.499 1.00 0.00 C ATOM 0 H THR A 122 -2.206 3.019 9.742 1.00 0.00 H new ATOM 0 HA THR A 122 -3.719 3.238 12.339 1.00 0.00 H new ATOM 0 HB THR A 122 -5.435 1.779 11.079 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.311 1.959 8.756 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.521 3.684 9.925 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.865 4.178 11.504 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.999 4.602 10.009 1.00 0.00 H new ATOM 711 N ARG A 123 -1.618 1.210 11.392 1.00 0.00 N ATOM 712 CA ARG A 123 -0.920 -0.088 11.679 1.00 0.00 C ATOM 713 C ARG A 123 -1.704 -1.268 11.092 1.00 0.00 C ATOM 714 O ARG A 123 -1.660 -2.368 11.610 1.00 0.00 O ATOM 715 CB ARG A 123 -0.856 -0.191 13.206 1.00 0.00 C ATOM 716 CG ARG A 123 -0.068 0.996 13.771 1.00 0.00 C ATOM 717 CD ARG A 123 0.495 0.629 15.147 1.00 0.00 C ATOM 718 NE ARG A 123 0.241 1.828 16.028 1.00 0.00 N ATOM 719 CZ ARG A 123 0.726 3.023 15.763 1.00 0.00 C ATOM 720 NH1 ARG A 123 1.571 3.214 14.780 1.00 0.00 N ATOM 721 NH2 ARG A 123 0.393 4.031 16.521 1.00 0.00 N ATOM 0 H ARG A 123 -1.038 1.915 10.937 1.00 0.00 H new ATOM 0 HA ARG A 123 0.073 -0.118 11.230 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.863 -0.202 13.622 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.380 -1.127 13.497 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.744 1.262 13.094 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.715 1.870 13.852 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.006 -0.260 15.545 1.00 0.00 H new ATOM 0 HD3 ARG A 123 1.560 0.406 15.087 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.331 1.707 16.864 1.00 0.00 H new ATOM 0 HH11 ARG A 123 1.866 2.428 14.201 1.00 0.00 H new ATOM 0 HH12 ARG A 123 1.933 4.149 14.593 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -0.237 3.889 17.310 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.763 4.961 16.325 1.00 0.00 H new ATOM 735 N LYS A 124 -2.399 -1.051 10.002 1.00 0.00 N ATOM 736 CA LYS A 124 -3.168 -2.164 9.367 1.00 0.00 C ATOM 737 C LYS A 124 -2.431 -2.636 8.116 1.00 0.00 C ATOM 738 O LYS A 124 -1.454 -2.041 7.715 1.00 0.00 O ATOM 739 CB LYS A 124 -4.518 -1.565 8.986 1.00 0.00 C ATOM 740 CG LYS A 124 -5.244 -1.077 10.241 1.00 0.00 C ATOM 741 CD LYS A 124 -6.727 -0.864 9.922 1.00 0.00 C ATOM 742 CE LYS A 124 -7.488 -2.178 10.118 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.641 -2.096 9.180 1.00 0.00 N ATOM 0 H LYS A 124 -2.466 -0.152 9.526 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.284 -3.020 10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.375 -0.736 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.124 -2.310 8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.135 -1.806 11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.799 -0.146 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -7.142 -0.092 10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.842 -0.515 8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -6.856 -3.038 9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -7.824 -2.290 11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.212 -2.962 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.228 -1.272 9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.290 -1.997 8.206 1.00 0.00 H new ATOM 757 N GLU A 125 -2.891 -3.686 7.491 1.00 0.00 N ATOM 758 CA GLU A 125 -2.201 -4.170 6.258 1.00 0.00 C ATOM 759 C GLU A 125 -3.141 -4.968 5.363 1.00 0.00 C ATOM 760 O GLU A 125 -4.022 -5.668 5.823 1.00 0.00 O ATOM 761 CB GLU A 125 -1.030 -5.031 6.745 1.00 0.00 C ATOM 762 CG GLU A 125 -1.544 -6.174 7.618 1.00 0.00 C ATOM 763 CD GLU A 125 -1.575 -5.729 9.080 1.00 0.00 C ATOM 764 OE1 GLU A 125 -0.514 -5.476 9.623 1.00 0.00 O ATOM 765 OE2 GLU A 125 -2.660 -5.652 9.631 1.00 0.00 O ATOM 0 H GLU A 125 -3.708 -4.227 7.777 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.856 -3.335 5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.485 -5.433 5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.329 -4.418 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -2.542 -6.470 7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -0.901 -7.047 7.507 1.00 0.00 H new ATOM 772 N GLY A 126 -2.937 -4.866 4.077 1.00 0.00 N ATOM 773 CA GLY A 126 -3.789 -5.608 3.113 1.00 0.00 C ATOM 774 C GLY A 126 -3.269 -5.376 1.696 1.00 0.00 C ATOM 775 O GLY A 126 -2.087 -5.205 1.486 1.00 0.00 O ATOM 0 H GLY A 126 -2.208 -4.293 3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -3.779 -6.673 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.823 -5.274 3.192 1.00 0.00 H new ATOM 779 N TYR A 127 -4.148 -5.351 0.729 1.00 0.00 N ATOM 780 CA TYR A 127 -3.716 -5.133 -0.687 1.00 0.00 C ATOM 781 C TYR A 127 -3.796 -3.646 -1.037 1.00 0.00 C ATOM 782 O TYR A 127 -4.486 -2.881 -0.391 1.00 0.00 O ATOM 783 CB TYR A 127 -4.720 -5.898 -1.572 1.00 0.00 C ATOM 784 CG TYR A 127 -4.937 -7.314 -1.081 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.955 -8.293 -1.273 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.136 -7.641 -0.443 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.177 -9.601 -0.819 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.361 -8.941 0.010 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.382 -9.926 -0.177 1.00 0.00 C ATOM 790 OH TYR A 127 -5.599 -11.216 0.273 1.00 0.00 O ATOM 0 H TYR A 127 -5.152 -5.473 0.858 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.691 -5.474 -0.835 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.672 -5.367 -1.584 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.355 -5.921 -2.599 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.029 -8.042 -1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.892 -6.884 -0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.421 -10.358 -0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.289 -9.188 0.504 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.482 -11.271 0.695 1.00 0.00 H new ATOM 800 N ILE A 128 -3.103 -3.244 -2.068 1.00 0.00 N ATOM 801 CA ILE A 128 -3.127 -1.814 -2.499 1.00 0.00 C ATOM 802 C ILE A 128 -2.855 -1.740 -4.015 1.00 0.00 C ATOM 803 O ILE A 128 -1.809 -2.167 -4.462 1.00 0.00 O ATOM 804 CB ILE A 128 -2.028 -1.093 -1.704 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.703 -1.873 -1.774 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.478 -0.956 -0.248 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.448 -0.906 -2.075 1.00 0.00 C ATOM 0 H ILE A 128 -2.514 -3.852 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.093 -1.346 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.863 -0.106 -2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.522 -2.387 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.760 -2.638 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.704 -0.445 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.402 -0.379 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.649 -1.946 0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.385 -1.460 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.268 -0.412 -3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.510 -0.157 -1.285 1.00 0.00 H new ATOM 819 N PRO A 129 -3.823 -1.239 -4.773 1.00 0.00 N ATOM 820 CA PRO A 129 -3.682 -1.155 -6.257 1.00 0.00 C ATOM 821 C PRO A 129 -2.283 -0.703 -6.698 1.00 0.00 C ATOM 822 O PRO A 129 -1.940 0.464 -6.639 1.00 0.00 O ATOM 823 CB PRO A 129 -4.729 -0.129 -6.672 1.00 0.00 C ATOM 824 CG PRO A 129 -5.737 -0.088 -5.562 1.00 0.00 C ATOM 825 CD PRO A 129 -5.122 -0.704 -4.331 1.00 0.00 C ATOM 0 HA PRO A 129 -3.821 -2.131 -6.722 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.276 0.851 -6.823 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -5.199 -0.411 -7.614 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -6.037 0.941 -5.361 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.637 -0.632 -5.848 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.994 0.037 -3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.756 -1.493 -3.927 1.00 0.00 H new ATOM 833 N SER A 130 -1.489 -1.633 -7.159 1.00 0.00 N ATOM 834 CA SER A 130 -0.110 -1.296 -7.632 1.00 0.00 C ATOM 835 C SER A 130 -0.158 -0.336 -8.829 1.00 0.00 C ATOM 836 O SER A 130 0.843 0.251 -9.193 1.00 0.00 O ATOM 837 CB SER A 130 0.497 -2.633 -8.057 1.00 0.00 C ATOM 838 OG SER A 130 0.626 -3.468 -6.918 1.00 0.00 O ATOM 0 H SER A 130 -1.737 -2.620 -7.229 1.00 0.00 H new ATOM 0 HA SER A 130 0.472 -0.799 -6.856 1.00 0.00 H new ATOM 0 HB2 SER A 130 -0.135 -3.112 -8.805 1.00 0.00 H new ATOM 0 HB3 SER A 130 1.472 -2.474 -8.519 1.00 0.00 H new ATOM 0 HG SER A 130 1.504 -3.903 -6.929 1.00 0.00 H new ATOM 844 N ASN A 131 -1.304 -0.185 -9.458 1.00 0.00 N ATOM 845 CA ASN A 131 -1.396 0.730 -10.635 1.00 0.00 C ATOM 846 C ASN A 131 -1.671 2.181 -10.202 1.00 0.00 C ATOM 847 O ASN A 131 -2.029 3.011 -11.017 1.00 0.00 O ATOM 848 CB ASN A 131 -2.550 0.183 -11.487 1.00 0.00 C ATOM 849 CG ASN A 131 -3.861 0.185 -10.688 1.00 0.00 C ATOM 850 OD1 ASN A 131 -4.103 1.060 -9.878 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.732 -0.766 -10.892 1.00 0.00 N ATOM 0 H ASN A 131 -2.173 -0.655 -9.205 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.458 0.758 -11.190 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.665 0.789 -12.386 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -2.319 -0.831 -11.814 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.610 -0.773 -10.373 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.534 -1.502 -11.570 1.00 0.00 H new ATOM 858 N TYR A 132 -1.514 2.493 -8.935 1.00 0.00 N ATOM 859 CA TYR A 132 -1.757 3.896 -8.462 1.00 0.00 C ATOM 860 C TYR A 132 -0.898 4.185 -7.223 1.00 0.00 C ATOM 861 O TYR A 132 -1.347 4.812 -6.280 1.00 0.00 O ATOM 862 CB TYR A 132 -3.244 3.959 -8.086 1.00 0.00 C ATOM 863 CG TYR A 132 -4.091 4.328 -9.288 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.724 5.395 -10.122 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.260 3.608 -9.557 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.522 5.733 -11.220 1.00 0.00 C ATOM 867 CE2 TYR A 132 -6.059 3.950 -10.653 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.690 5.012 -11.484 1.00 0.00 C ATOM 869 OH TYR A 132 -6.480 5.350 -12.563 1.00 0.00 O ATOM 0 H TYR A 132 -1.228 1.837 -8.208 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.500 4.629 -9.227 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.565 2.995 -7.692 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.392 4.692 -7.293 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.824 5.956 -9.916 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.546 2.786 -8.917 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.236 6.551 -11.864 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.962 3.393 -10.857 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.253 4.749 -12.604 1.00 0.00 H new ATOM 879 N VAL A 133 0.328 3.722 -7.214 1.00 0.00 N ATOM 880 CA VAL A 133 1.211 3.958 -6.029 1.00 0.00 C ATOM 881 C VAL A 133 2.677 4.056 -6.454 1.00 0.00 C ATOM 882 O VAL A 133 3.043 3.733 -7.570 1.00 0.00 O ATOM 883 CB VAL A 133 0.976 2.745 -5.109 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.237 1.441 -5.871 1.00 0.00 C ATOM 885 CG2 VAL A 133 1.895 2.800 -3.881 1.00 0.00 C ATOM 0 H VAL A 133 0.755 3.192 -7.974 1.00 0.00 H new ATOM 0 HA VAL A 133 0.981 4.897 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 133 -0.062 2.776 -4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.067 0.592 -5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.561 1.377 -6.724 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.268 1.426 -6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.709 1.932 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 133 2.936 2.796 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.694 3.711 -3.317 1.00 0.00 H new ATOM 895 N ALA A 134 3.510 4.497 -5.556 1.00 0.00 N ATOM 896 CA ALA A 134 4.969 4.629 -5.865 1.00 0.00 C ATOM 897 C ALA A 134 5.797 3.912 -4.793 1.00 0.00 C ATOM 898 O ALA A 134 5.616 4.130 -3.612 1.00 0.00 O ATOM 899 CB ALA A 134 5.242 6.135 -5.845 1.00 0.00 C ATOM 0 H ALA A 134 3.245 4.775 -4.611 1.00 0.00 H new ATOM 0 HA ALA A 134 5.236 4.183 -6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.294 6.317 -6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.625 6.627 -6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.001 6.535 -4.860 1.00 0.00 H new ATOM 905 N ARG A 135 6.690 3.041 -5.195 1.00 0.00 N ATOM 906 CA ARG A 135 7.512 2.288 -4.207 1.00 0.00 C ATOM 907 C ARG A 135 8.868 2.971 -3.967 1.00 0.00 C ATOM 908 O ARG A 135 9.613 3.254 -4.885 1.00 0.00 O ATOM 909 CB ARG A 135 7.687 0.908 -4.859 1.00 0.00 C ATOM 910 CG ARG A 135 8.701 0.049 -4.083 1.00 0.00 C ATOM 911 CD ARG A 135 8.023 -1.188 -3.476 1.00 0.00 C ATOM 912 NE ARG A 135 8.796 -2.370 -4.010 1.00 0.00 N ATOM 913 CZ ARG A 135 8.885 -2.643 -5.294 1.00 0.00 C ATOM 914 NH1 ARG A 135 8.163 -2.003 -6.177 1.00 0.00 N ATOM 915 NH2 ARG A 135 9.675 -3.602 -5.689 1.00 0.00 N ATOM 0 H ARG A 135 6.883 2.821 -6.172 1.00 0.00 H new ATOM 0 HA ARG A 135 7.043 2.234 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 135 6.726 0.396 -4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.023 1.030 -5.889 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.505 -0.263 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.157 0.644 -3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.053 -1.158 -2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 135 6.973 -1.242 -3.764 1.00 0.00 H new ATOM 0 HE ARG A 135 9.270 -2.983 -3.347 1.00 0.00 H new ATOM 0 HH11 ARG A 135 7.515 -1.276 -5.875 1.00 0.00 H new ATOM 0 HH12 ARG A 135 8.248 -2.231 -7.167 1.00 0.00 H new ATOM 0 HH21 ARG A 135 10.216 -4.132 -5.005 1.00 0.00 H new ATOM 0 HH22 ARG A 135 9.752 -3.823 -6.682 1.00 0.00 H new ATOM 929 N VAL A 136 9.198 3.179 -2.721 1.00 0.00 N ATOM 930 CA VAL A 136 10.517 3.782 -2.361 1.00 0.00 C ATOM 931 C VAL A 136 11.452 2.669 -1.861 1.00 0.00 C ATOM 932 O VAL A 136 11.092 1.870 -1.004 1.00 0.00 O ATOM 933 CB VAL A 136 10.256 4.821 -1.256 1.00 0.00 C ATOM 934 CG1 VAL A 136 9.558 6.042 -1.858 1.00 0.00 C ATOM 935 CG2 VAL A 136 9.384 4.233 -0.140 1.00 0.00 C ATOM 0 H VAL A 136 8.602 2.954 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 136 10.990 4.264 -3.216 1.00 0.00 H new ATOM 0 HB VAL A 136 11.214 5.113 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.373 6.778 -1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.193 6.482 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.610 5.737 -2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 136 9.216 4.989 0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.427 3.917 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 136 9.889 3.374 0.302 1.00 0.00 H new ATOM 945 N ASP A 137 12.638 2.609 -2.410 1.00 0.00 N ATOM 946 CA ASP A 137 13.625 1.564 -2.019 1.00 0.00 C ATOM 947 C ASP A 137 15.046 2.053 -2.318 1.00 0.00 C ATOM 948 O ASP A 137 15.267 3.224 -2.565 1.00 0.00 O ATOM 949 CB ASP A 137 13.279 0.333 -2.867 1.00 0.00 C ATOM 950 CG ASP A 137 13.351 0.684 -4.356 1.00 0.00 C ATOM 951 OD1 ASP A 137 14.437 0.986 -4.822 1.00 0.00 O ATOM 952 OD2 ASP A 137 12.318 0.645 -5.004 1.00 0.00 O ATOM 0 H ASP A 137 12.968 3.255 -3.127 1.00 0.00 H new ATOM 0 HA ASP A 137 13.584 1.334 -0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 137 13.971 -0.479 -2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 137 12.279 -0.022 -2.617 1.00 0.00 H new ATOM 957 N SER A 138 16.005 1.164 -2.300 1.00 0.00 N ATOM 958 CA SER A 138 17.414 1.569 -2.584 1.00 0.00 C ATOM 959 C SER A 138 17.819 1.117 -3.990 1.00 0.00 C ATOM 960 O SER A 138 18.121 1.976 -4.803 1.00 0.00 O ATOM 961 CB SER A 138 18.257 0.855 -1.527 1.00 0.00 C ATOM 962 OG SER A 138 19.536 1.471 -1.452 1.00 0.00 O ATOM 0 H SER A 138 15.873 0.173 -2.100 1.00 0.00 H new ATOM 0 HA SER A 138 17.548 2.650 -2.546 1.00 0.00 H new ATOM 0 HB2 SER A 138 17.761 0.901 -0.558 1.00 0.00 H new ATOM 0 HB3 SER A 138 18.363 -0.200 -1.781 1.00 0.00 H new ATOM 0 HG SER A 138 20.079 1.017 -0.774 1.00 0.00 H new TER 968 SER A 138