USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 406 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 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.463 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= -0.399 X(o=-0.4,f=-0.15) USER MOD Single : A 105 MET CE :methyl -155:sc= -2.62 (180deg=-3.97!) 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 -160: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 -86:sc= 1.29 USER MOD Single : A 131 ASN : amide:sc= -1.58 K(o=-1.6,f=-7.3!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 11.644 -1.036 1.596 1.00 0.00 N ATOM 40 CA ILE A 81 10.430 -1.657 0.988 1.00 0.00 C ATOM 41 C ILE A 81 9.165 -0.892 1.392 1.00 0.00 C ATOM 42 O ILE A 81 8.208 -1.490 1.828 1.00 0.00 O ATOM 43 CB ILE A 81 10.417 -3.110 1.537 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.332 -3.996 0.855 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.173 -3.089 3.054 1.00 0.00 C ATOM 46 CD1 ILE A 81 9.312 -3.776 -0.666 1.00 0.00 C ATOM 0 HA ILE A 81 10.452 -1.635 -0.102 1.00 0.00 H new ATOM 0 HB ILE A 81 11.390 -3.547 1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.528 -5.046 1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.353 -3.762 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.165 -4.110 3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.968 -2.526 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.213 -2.616 3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.545 -4.407 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.092 -2.730 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.285 -4.034 -1.084 1.00 0.00 H new ATOM 58 N ILE A 82 9.142 0.417 1.246 1.00 0.00 N ATOM 59 CA ILE A 82 7.905 1.175 1.610 1.00 0.00 C ATOM 60 C ILE A 82 7.323 1.818 0.358 1.00 0.00 C ATOM 61 O ILE A 82 7.985 1.921 -0.651 1.00 0.00 O ATOM 62 CB ILE A 82 8.335 2.243 2.622 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.915 1.554 3.861 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.120 3.102 3.031 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.449 2.606 4.834 1.00 0.00 C ATOM 0 H ILE A 82 9.916 0.982 0.896 1.00 0.00 H new ATOM 0 HA ILE A 82 7.139 0.528 2.038 1.00 0.00 H new ATOM 0 HB ILE A 82 9.088 2.888 2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.147 0.952 4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.716 0.875 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.435 3.858 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.706 3.590 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.360 2.465 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.861 2.112 5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.230 3.189 4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.637 3.268 5.136 1.00 0.00 H new ATOM 77 N VAL A 83 6.095 2.257 0.422 1.00 0.00 N ATOM 78 CA VAL A 83 5.458 2.912 -0.760 1.00 0.00 C ATOM 79 C VAL A 83 4.553 4.061 -0.301 1.00 0.00 C ATOM 80 O VAL A 83 4.347 4.274 0.880 1.00 0.00 O ATOM 81 CB VAL A 83 4.605 1.837 -1.454 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.489 0.757 -2.081 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.646 1.194 -0.450 1.00 0.00 C ATOM 0 H VAL A 83 5.500 2.190 1.248 1.00 0.00 H new ATOM 0 HA VAL A 83 6.213 3.320 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 83 4.032 2.321 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.861 0.009 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.149 1.211 -2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.088 0.281 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.048 0.435 -0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.218 0.731 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.988 1.958 -0.035 1.00 0.00 H new ATOM 93 N VAL A 84 3.993 4.785 -1.237 1.00 0.00 N ATOM 94 CA VAL A 84 3.076 5.907 -0.886 1.00 0.00 C ATOM 95 C VAL A 84 1.862 5.868 -1.825 1.00 0.00 C ATOM 96 O VAL A 84 2.004 5.913 -3.035 1.00 0.00 O ATOM 97 CB VAL A 84 3.910 7.200 -1.061 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.135 7.519 -2.544 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.172 8.373 -0.420 1.00 0.00 C ATOM 0 H VAL A 84 4.134 4.644 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 84 2.691 5.847 0.132 1.00 0.00 H new ATOM 0 HB VAL A 84 4.876 7.044 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.723 8.432 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.669 6.695 -3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.173 7.657 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.759 9.283 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.202 8.499 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.028 8.175 0.642 1.00 0.00 H new ATOM 109 N ALA A 85 0.674 5.769 -1.287 1.00 0.00 N ATOM 110 CA ALA A 85 -0.532 5.726 -2.166 1.00 0.00 C ATOM 111 C ALA A 85 -0.651 7.043 -2.925 1.00 0.00 C ATOM 112 O ALA A 85 -0.768 8.098 -2.324 1.00 0.00 O ATOM 113 CB ALA A 85 -1.719 5.549 -1.228 1.00 0.00 C ATOM 0 H ALA A 85 0.488 5.716 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.481 4.921 -2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.640 5.510 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.604 4.622 -0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.764 6.389 -0.535 1.00 0.00 H new ATOM 119 N LEU A 86 -0.620 6.980 -4.236 1.00 0.00 N ATOM 120 CA LEU A 86 -0.721 8.220 -5.062 1.00 0.00 C ATOM 121 C LEU A 86 -2.165 8.491 -5.485 1.00 0.00 C ATOM 122 O LEU A 86 -2.428 9.429 -6.211 1.00 0.00 O ATOM 123 CB LEU A 86 0.131 7.945 -6.302 1.00 0.00 C ATOM 124 CG LEU A 86 1.614 8.115 -5.964 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.458 7.765 -7.194 1.00 0.00 C ATOM 126 CD2 LEU A 86 1.894 9.565 -5.559 1.00 0.00 C ATOM 0 H LEU A 86 -0.528 6.116 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.386 9.093 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.055 6.934 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.148 8.628 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 86 1.870 7.453 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.515 7.885 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.267 6.732 -7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.194 8.428 -8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.951 9.678 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.635 10.229 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.295 9.821 -4.685 1.00 0.00 H new ATOM 138 N TYR A 87 -3.104 7.685 -5.045 1.00 0.00 N ATOM 139 CA TYR A 87 -4.538 7.916 -5.418 1.00 0.00 C ATOM 140 C TYR A 87 -5.433 7.390 -4.294 1.00 0.00 C ATOM 141 O TYR A 87 -5.088 6.448 -3.610 1.00 0.00 O ATOM 142 CB TYR A 87 -4.803 7.129 -6.714 1.00 0.00 C ATOM 143 CG TYR A 87 -3.754 7.444 -7.755 1.00 0.00 C ATOM 144 CD1 TYR A 87 -2.578 6.689 -7.802 1.00 0.00 C ATOM 145 CD2 TYR A 87 -3.954 8.489 -8.663 1.00 0.00 C ATOM 146 CE1 TYR A 87 -1.598 6.978 -8.755 1.00 0.00 C ATOM 147 CE2 TYR A 87 -2.975 8.780 -9.618 1.00 0.00 C ATOM 148 CZ TYR A 87 -1.795 8.024 -9.663 1.00 0.00 C ATOM 149 OH TYR A 87 -0.828 8.311 -10.603 1.00 0.00 O ATOM 0 H TYR A 87 -2.939 6.878 -4.444 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.747 8.975 -5.566 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.803 6.060 -6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.792 7.377 -7.100 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.427 5.882 -7.101 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.863 9.070 -8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.690 6.395 -8.791 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.128 9.586 -10.320 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.123 9.065 -11.156 1.00 0.00 H new ATOM 159 N ASP A 88 -6.575 7.994 -4.094 1.00 0.00 N ATOM 160 CA ASP A 88 -7.489 7.525 -3.006 1.00 0.00 C ATOM 161 C ASP A 88 -8.010 6.122 -3.337 1.00 0.00 C ATOM 162 O ASP A 88 -8.249 5.807 -4.488 1.00 0.00 O ATOM 163 CB ASP A 88 -8.640 8.529 -2.976 1.00 0.00 C ATOM 164 CG ASP A 88 -8.158 9.844 -2.360 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.376 9.786 -1.427 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.581 10.886 -2.835 1.00 0.00 O ATOM 0 H ASP A 88 -6.915 8.790 -4.634 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.985 7.467 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.010 8.703 -3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.471 8.127 -2.397 1.00 0.00 H new ATOM 171 N TYR A 89 -8.184 5.275 -2.348 1.00 0.00 N ATOM 172 CA TYR A 89 -8.691 3.890 -2.631 1.00 0.00 C ATOM 173 C TYR A 89 -9.387 3.285 -1.404 1.00 0.00 C ATOM 174 O TYR A 89 -8.808 3.155 -0.344 1.00 0.00 O ATOM 175 CB TYR A 89 -7.452 3.075 -2.999 1.00 0.00 C ATOM 176 CG TYR A 89 -7.880 1.833 -3.740 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.460 1.943 -5.012 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.713 0.572 -3.154 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.871 0.793 -5.696 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.127 -0.578 -3.838 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.705 -0.468 -5.109 1.00 0.00 C ATOM 182 OH TYR A 89 -9.111 -1.602 -5.786 1.00 0.00 O ATOM 0 H TYR A 89 -7.999 5.479 -1.366 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.433 3.896 -3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.781 3.670 -3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.899 2.804 -2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.590 2.915 -5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.265 0.486 -2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.316 0.878 -6.676 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.000 -1.550 -3.385 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.034 -1.452 -6.751 1.00 0.00 H new ATOM 192 N GLU A 90 -10.629 2.901 -1.561 1.00 0.00 N ATOM 193 CA GLU A 90 -11.397 2.288 -0.430 1.00 0.00 C ATOM 194 C GLU A 90 -11.543 0.771 -0.646 1.00 0.00 C ATOM 195 O GLU A 90 -12.207 0.332 -1.566 1.00 0.00 O ATOM 196 CB GLU A 90 -12.771 2.965 -0.490 1.00 0.00 C ATOM 197 CG GLU A 90 -12.872 4.039 0.597 1.00 0.00 C ATOM 198 CD GLU A 90 -14.344 4.376 0.847 1.00 0.00 C ATOM 199 OE1 GLU A 90 -15.169 3.486 0.719 1.00 0.00 O ATOM 200 OE2 GLU A 90 -14.622 5.522 1.165 1.00 0.00 O ATOM 0 H GLU A 90 -11.151 2.986 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.904 2.427 0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.922 3.414 -1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.558 2.223 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.408 3.685 1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.330 4.934 0.291 1.00 0.00 H new ATOM 207 N ALA A 91 -10.926 -0.028 0.192 1.00 0.00 N ATOM 208 CA ALA A 91 -11.027 -1.515 0.036 1.00 0.00 C ATOM 209 C ALA A 91 -12.480 -1.982 0.140 1.00 0.00 C ATOM 210 O ALA A 91 -13.403 -1.207 -0.007 1.00 0.00 O ATOM 211 CB ALA A 91 -10.199 -2.111 1.177 1.00 0.00 C ATOM 0 H ALA A 91 -10.356 0.285 0.978 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.663 -1.832 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.231 -3.199 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.166 -1.774 1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.609 -1.785 2.133 1.00 0.00 H new ATOM 285 N ASP A 96 -7.821 -6.609 1.937 1.00 0.00 N ATOM 286 CA ASP A 96 -7.770 -5.342 1.131 1.00 0.00 C ATOM 287 C ASP A 96 -7.864 -4.109 2.045 1.00 0.00 C ATOM 288 O ASP A 96 -8.805 -3.956 2.801 1.00 0.00 O ATOM 289 CB ASP A 96 -8.968 -5.421 0.169 1.00 0.00 C ATOM 290 CG ASP A 96 -10.267 -5.716 0.932 1.00 0.00 C ATOM 291 OD1 ASP A 96 -10.773 -4.813 1.574 1.00 0.00 O ATOM 292 OD2 ASP A 96 -10.733 -6.840 0.849 1.00 0.00 O ATOM 0 HA ASP A 96 -6.830 -5.242 0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.066 -4.481 -0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.793 -6.200 -0.573 1.00 0.00 H new ATOM 297 N LEU A 97 -6.874 -3.253 2.003 1.00 0.00 N ATOM 298 CA LEU A 97 -6.877 -2.052 2.892 1.00 0.00 C ATOM 299 C LEU A 97 -7.174 -0.772 2.109 1.00 0.00 C ATOM 300 O LEU A 97 -6.834 -0.638 0.949 1.00 0.00 O ATOM 301 CB LEU A 97 -5.461 -2.001 3.476 1.00 0.00 C ATOM 302 CG LEU A 97 -5.351 -0.839 4.473 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.548 -1.285 5.698 1.00 0.00 C ATOM 304 CD2 LEU A 97 -4.639 0.341 3.806 1.00 0.00 C ATOM 0 H LEU A 97 -6.063 -3.335 1.390 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.649 -2.122 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.229 -2.943 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.732 -1.876 2.675 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.351 -0.537 4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.472 -0.458 6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.051 -2.125 6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.549 -1.590 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.561 1.166 4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.640 0.034 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.208 0.664 2.934 1.00 0.00 H new ATOM 316 N SER A 98 -7.792 0.177 2.760 1.00 0.00 N ATOM 317 CA SER A 98 -8.119 1.473 2.100 1.00 0.00 C ATOM 318 C SER A 98 -7.020 2.501 2.395 1.00 0.00 C ATOM 319 O SER A 98 -6.432 2.489 3.460 1.00 0.00 O ATOM 320 CB SER A 98 -9.436 1.903 2.744 1.00 0.00 C ATOM 321 OG SER A 98 -10.410 0.888 2.545 1.00 0.00 O ATOM 0 H SER A 98 -8.088 0.108 3.734 1.00 0.00 H new ATOM 0 HA SER A 98 -8.195 1.388 1.016 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.292 2.081 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.778 2.842 2.308 1.00 0.00 H new ATOM 0 HG SER A 98 -11.256 1.160 2.959 1.00 0.00 H new ATOM 327 N PHE A 99 -6.751 3.396 1.475 1.00 0.00 N ATOM 328 CA PHE A 99 -5.700 4.438 1.725 1.00 0.00 C ATOM 329 C PHE A 99 -6.056 5.745 1.002 1.00 0.00 C ATOM 330 O PHE A 99 -7.193 5.947 0.613 1.00 0.00 O ATOM 331 CB PHE A 99 -4.367 3.847 1.234 1.00 0.00 C ATOM 332 CG PHE A 99 -4.471 3.300 -0.176 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.484 4.169 -1.272 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.515 1.914 -0.386 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.544 3.654 -2.575 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.570 1.403 -1.690 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.584 2.274 -2.783 1.00 0.00 C ATOM 0 H PHE A 99 -7.210 3.452 0.566 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.627 4.689 2.783 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.595 4.616 1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.053 3.051 1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.448 5.237 -1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.506 1.240 0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.559 4.327 -3.420 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.602 0.335 -1.850 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.626 1.880 -3.788 1.00 0.00 H new ATOM 347 N GLN A 100 -5.119 6.659 0.861 1.00 0.00 N ATOM 348 CA GLN A 100 -5.446 7.963 0.207 1.00 0.00 C ATOM 349 C GLN A 100 -4.464 8.332 -0.912 1.00 0.00 C ATOM 350 O GLN A 100 -3.513 7.636 -1.199 1.00 0.00 O ATOM 351 CB GLN A 100 -5.376 8.995 1.336 1.00 0.00 C ATOM 352 CG GLN A 100 -6.618 9.878 1.291 1.00 0.00 C ATOM 353 CD GLN A 100 -6.936 10.393 2.693 1.00 0.00 C ATOM 354 OE1 GLN A 100 -7.907 9.986 3.297 1.00 0.00 O ATOM 355 NE2 GLN A 100 -6.150 11.278 3.244 1.00 0.00 N ATOM 0 H GLN A 100 -4.152 6.556 1.169 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.423 7.917 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.309 8.492 2.300 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.479 9.605 1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.455 10.716 0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.464 9.312 0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.334 11.621 2.737 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.352 11.627 4.181 1.00 0.00 H new ATOM 364 N LYS A 101 -4.750 9.427 -1.561 1.00 0.00 N ATOM 365 CA LYS A 101 -3.918 9.913 -2.708 1.00 0.00 C ATOM 366 C LYS A 101 -2.470 10.223 -2.349 1.00 0.00 C ATOM 367 O LYS A 101 -1.614 10.284 -3.210 1.00 0.00 O ATOM 368 CB LYS A 101 -4.609 11.181 -3.164 1.00 0.00 C ATOM 369 CG LYS A 101 -4.078 11.563 -4.530 1.00 0.00 C ATOM 370 CD LYS A 101 -5.187 12.256 -5.315 1.00 0.00 C ATOM 371 CE LYS A 101 -6.246 11.223 -5.716 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.251 11.991 -6.506 1.00 0.00 N ATOM 0 H LYS A 101 -5.547 10.024 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.851 9.135 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.687 11.028 -3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.430 11.986 -2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.218 12.225 -4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.736 10.676 -5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.640 13.042 -4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.775 12.735 -6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.809 10.419 -6.308 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.701 10.763 -4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.010 11.352 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.654 12.745 -5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.790 12.412 -7.338 1.00 0.00 H new ATOM 386 N GLY A 102 -2.201 10.449 -1.114 1.00 0.00 N ATOM 387 CA GLY A 102 -0.808 10.787 -0.692 1.00 0.00 C ATOM 388 C GLY A 102 -0.511 10.103 0.635 1.00 0.00 C ATOM 389 O GLY A 102 0.091 10.678 1.521 1.00 0.00 O ATOM 0 H GLY A 102 -2.885 10.417 -0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.096 10.462 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.697 11.867 -0.592 1.00 0.00 H new ATOM 393 N ASP A 103 -0.938 8.879 0.777 1.00 0.00 N ATOM 394 CA ASP A 103 -0.687 8.147 2.070 1.00 0.00 C ATOM 395 C ASP A 103 0.629 7.366 2.030 1.00 0.00 C ATOM 396 O ASP A 103 1.211 7.168 0.990 1.00 0.00 O ATOM 397 CB ASP A 103 -1.870 7.200 2.261 1.00 0.00 C ATOM 398 CG ASP A 103 -2.967 7.913 3.058 1.00 0.00 C ATOM 399 OD1 ASP A 103 -3.114 9.112 2.886 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.637 7.248 3.831 1.00 0.00 O ATOM 0 H ASP A 103 -1.445 8.351 0.067 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.598 8.850 2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.256 6.883 1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.549 6.301 2.786 1.00 0.00 H new ATOM 405 N GLN A 104 1.084 6.903 3.169 1.00 0.00 N ATOM 406 CA GLN A 104 2.344 6.116 3.224 1.00 0.00 C ATOM 407 C GLN A 104 2.065 4.729 3.797 1.00 0.00 C ATOM 408 O GLN A 104 1.532 4.585 4.880 1.00 0.00 O ATOM 409 CB GLN A 104 3.279 6.898 4.149 1.00 0.00 C ATOM 410 CG GLN A 104 4.118 7.883 3.324 1.00 0.00 C ATOM 411 CD GLN A 104 5.558 7.890 3.846 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.132 8.936 4.073 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.171 6.754 4.050 1.00 0.00 N ATOM 0 H GLN A 104 0.627 7.041 4.070 1.00 0.00 H new ATOM 0 HA GLN A 104 2.783 5.978 2.236 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.698 7.438 4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 104 3.932 6.211 4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.103 7.598 2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.691 8.884 3.389 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.691 5.874 3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.129 6.747 4.399 1.00 0.00 H new ATOM 422 N MET A 105 2.433 3.717 3.070 1.00 0.00 N ATOM 423 CA MET A 105 2.219 2.319 3.536 1.00 0.00 C ATOM 424 C MET A 105 3.498 1.535 3.278 1.00 0.00 C ATOM 425 O MET A 105 4.236 1.847 2.367 1.00 0.00 O ATOM 426 CB MET A 105 1.076 1.773 2.672 1.00 0.00 C ATOM 427 CG MET A 105 -0.172 2.647 2.842 1.00 0.00 C ATOM 428 SD MET A 105 -1.591 1.829 2.072 1.00 0.00 S ATOM 429 CE MET A 105 -1.094 2.090 0.352 1.00 0.00 C ATOM 0 H MET A 105 2.881 3.798 2.157 1.00 0.00 H new ATOM 0 HA MET A 105 1.977 2.250 4.597 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.377 1.755 1.625 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.852 0.745 2.957 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.368 2.818 3.901 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.010 3.624 2.386 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.977 2.079 -0.287 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.592 3.053 0.261 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.414 1.295 0.045 1.00 0.00 H new ATOM 439 N VAL A 106 3.774 0.527 4.057 1.00 0.00 N ATOM 440 CA VAL A 106 5.016 -0.262 3.824 1.00 0.00 C ATOM 441 C VAL A 106 4.662 -1.463 2.961 1.00 0.00 C ATOM 442 O VAL A 106 3.548 -1.928 2.977 1.00 0.00 O ATOM 443 CB VAL A 106 5.505 -0.726 5.203 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.889 -1.367 5.072 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.589 0.466 6.166 1.00 0.00 C ATOM 0 H VAL A 106 3.198 0.217 4.840 1.00 0.00 H new ATOM 0 HA VAL A 106 5.789 0.319 3.321 1.00 0.00 H new ATOM 0 HB VAL A 106 4.798 -1.456 5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.232 -1.695 6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.831 -2.225 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.591 -0.638 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.937 0.123 7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.287 1.204 5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.603 0.919 6.272 1.00 0.00 H new ATOM 455 N VAL A 107 5.598 -1.980 2.227 1.00 0.00 N ATOM 456 CA VAL A 107 5.298 -3.168 1.373 1.00 0.00 C ATOM 457 C VAL A 107 5.671 -4.439 2.139 1.00 0.00 C ATOM 458 O VAL A 107 6.675 -4.501 2.821 1.00 0.00 O ATOM 459 CB VAL A 107 6.141 -3.003 0.095 1.00 0.00 C ATOM 460 CG1 VAL A 107 6.189 -4.320 -0.697 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.511 -1.933 -0.793 1.00 0.00 C ATOM 0 H VAL A 107 6.557 -1.637 2.177 1.00 0.00 H new ATOM 0 HA VAL A 107 4.242 -3.245 1.115 1.00 0.00 H new ATOM 0 HB VAL A 107 7.152 -2.717 0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 107 6.789 -4.182 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.634 -5.100 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.177 -4.613 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.106 -1.815 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.498 -2.233 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.478 -0.986 -0.254 1.00 0.00 H new ATOM 471 N LEU A 108 4.869 -5.447 2.000 1.00 0.00 N ATOM 472 CA LEU A 108 5.131 -6.742 2.680 1.00 0.00 C ATOM 473 C LEU A 108 5.722 -7.734 1.673 1.00 0.00 C ATOM 474 O LEU A 108 6.434 -8.651 2.036 1.00 0.00 O ATOM 475 CB LEU A 108 3.746 -7.238 3.126 1.00 0.00 C ATOM 476 CG LEU A 108 3.270 -6.498 4.381 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.492 -5.261 3.973 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.350 -7.419 5.193 1.00 0.00 C ATOM 0 H LEU A 108 4.023 -5.430 1.431 1.00 0.00 H new ATOM 0 HA LEU A 108 5.828 -6.643 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.027 -7.091 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.787 -8.309 3.326 1.00 0.00 H new ATOM 0 HG LEU A 108 4.133 -6.210 4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.153 -4.734 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.134 -4.605 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.629 -5.555 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.009 -6.897 6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.489 -7.700 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.897 -8.316 5.484 1.00 0.00 H new ATOM 490 N GLU A 109 5.420 -7.555 0.409 1.00 0.00 N ATOM 491 CA GLU A 109 5.940 -8.489 -0.633 1.00 0.00 C ATOM 492 C GLU A 109 5.984 -7.801 -2.005 1.00 0.00 C ATOM 493 O GLU A 109 5.761 -6.613 -2.121 1.00 0.00 O ATOM 494 CB GLU A 109 4.937 -9.644 -0.651 1.00 0.00 C ATOM 495 CG GLU A 109 5.272 -10.630 0.470 1.00 0.00 C ATOM 496 CD GLU A 109 4.515 -11.939 0.239 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.882 -12.658 -0.676 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.583 -12.201 0.981 1.00 0.00 O ATOM 0 H GLU A 109 4.834 -6.799 0.056 1.00 0.00 H new ATOM 0 HA GLU A 109 6.956 -8.821 -0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.924 -9.262 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.967 -10.150 -1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.345 -10.818 0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.000 -10.205 1.436 1.00 0.00 H new ATOM 505 N GLU A 110 6.254 -8.552 -3.046 1.00 0.00 N ATOM 506 CA GLU A 110 6.302 -7.957 -4.419 1.00 0.00 C ATOM 507 C GLU A 110 5.832 -8.976 -5.465 1.00 0.00 C ATOM 508 O GLU A 110 6.544 -9.904 -5.803 1.00 0.00 O ATOM 509 CB GLU A 110 7.768 -7.594 -4.640 1.00 0.00 C ATOM 510 CG GLU A 110 8.038 -6.217 -4.033 1.00 0.00 C ATOM 511 CD GLU A 110 9.475 -5.795 -4.335 1.00 0.00 C ATOM 512 OE1 GLU A 110 10.345 -6.648 -4.279 1.00 0.00 O ATOM 513 OE2 GLU A 110 9.680 -4.627 -4.619 1.00 0.00 O ATOM 0 H GLU A 110 6.444 -9.553 -3.004 1.00 0.00 H new ATOM 0 HA GLU A 110 5.648 -7.090 -4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.414 -8.341 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.997 -7.587 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.340 -5.486 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.876 -6.245 -2.956 1.00 0.00 H new ATOM 520 N SER A 111 4.638 -8.807 -5.975 1.00 0.00 N ATOM 521 CA SER A 111 4.110 -9.759 -6.999 1.00 0.00 C ATOM 522 C SER A 111 4.149 -9.129 -8.398 1.00 0.00 C ATOM 523 O SER A 111 4.702 -9.694 -9.324 1.00 0.00 O ATOM 524 CB SER A 111 2.665 -10.023 -6.578 1.00 0.00 C ATOM 525 OG SER A 111 2.195 -11.199 -7.219 1.00 0.00 O ATOM 0 H SER A 111 4.004 -8.048 -5.725 1.00 0.00 H new ATOM 0 HA SER A 111 4.702 -10.673 -7.050 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.605 -10.137 -5.496 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.036 -9.174 -6.845 1.00 0.00 H new ATOM 0 HG SER A 111 1.269 -11.371 -6.949 1.00 0.00 H new ATOM 531 N GLY A 112 3.566 -7.966 -8.557 1.00 0.00 N ATOM 532 CA GLY A 112 3.566 -7.302 -9.895 1.00 0.00 C ATOM 533 C GLY A 112 2.321 -6.426 -10.041 1.00 0.00 C ATOM 534 O GLY A 112 2.399 -5.213 -10.037 1.00 0.00 O ATOM 0 H GLY A 112 3.091 -7.449 -7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.464 -6.695 -10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 112 3.587 -8.054 -10.684 1.00 0.00 H new ATOM 538 N GLU A 113 1.173 -7.039 -10.168 1.00 0.00 N ATOM 539 CA GLU A 113 -0.094 -6.258 -10.318 1.00 0.00 C ATOM 540 C GLU A 113 -0.613 -5.830 -8.943 1.00 0.00 C ATOM 541 O GLU A 113 -0.813 -4.658 -8.678 1.00 0.00 O ATOM 542 CB GLU A 113 -1.076 -7.227 -10.978 1.00 0.00 C ATOM 543 CG GLU A 113 -1.995 -6.465 -11.937 1.00 0.00 C ATOM 544 CD GLU A 113 -3.275 -7.274 -12.165 1.00 0.00 C ATOM 545 OE1 GLU A 113 -4.057 -7.383 -11.235 1.00 0.00 O ATOM 546 OE2 GLU A 113 -3.447 -7.773 -13.266 1.00 0.00 O ATOM 0 H GLU A 113 1.057 -8.052 -10.174 1.00 0.00 H new ATOM 0 HA GLU A 113 0.045 -5.350 -10.905 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.530 -7.999 -11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.670 -7.732 -10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.239 -5.486 -11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.487 -6.293 -12.886 1.00 0.00 H new ATOM 553 N TRP A 114 -0.843 -6.780 -8.074 1.00 0.00 N ATOM 554 CA TRP A 114 -1.361 -6.450 -6.710 1.00 0.00 C ATOM 555 C TRP A 114 -0.253 -6.593 -5.665 1.00 0.00 C ATOM 556 O TRP A 114 0.318 -7.655 -5.502 1.00 0.00 O ATOM 557 CB TRP A 114 -2.463 -7.478 -6.448 1.00 0.00 C ATOM 558 CG TRP A 114 -3.760 -6.960 -6.973 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.418 -7.450 -8.049 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.564 -5.859 -6.467 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.576 -6.718 -8.235 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.711 -5.726 -7.282 1.00 0.00 C ATOM 563 CE3 TRP A 114 -4.408 -4.973 -5.388 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.673 -4.746 -7.036 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -5.374 -3.985 -5.136 1.00 0.00 C ATOM 566 CH2 TRP A 114 -6.504 -3.872 -5.958 1.00 0.00 C ATOM 0 H TRP A 114 -0.694 -7.774 -8.250 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.725 -5.424 -6.650 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.215 -8.424 -6.930 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -2.544 -7.676 -5.379 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.092 -8.277 -8.662 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -6.248 -6.889 -8.983 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -3.541 -5.052 -4.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.541 -4.663 -7.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -5.245 -3.308 -4.304 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.243 -3.110 -5.759 1.00 0.00 H new ATOM 577 N TRP A 115 0.046 -5.538 -4.947 1.00 0.00 N ATOM 578 CA TRP A 115 1.109 -5.623 -3.901 1.00 0.00 C ATOM 579 C TRP A 115 0.467 -5.612 -2.507 1.00 0.00 C ATOM 580 O TRP A 115 -0.537 -4.965 -2.283 1.00 0.00 O ATOM 581 CB TRP A 115 1.980 -4.368 -4.085 1.00 0.00 C ATOM 582 CG TRP A 115 2.741 -4.393 -5.389 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.802 -5.428 -6.270 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.563 -3.331 -5.960 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.612 -5.063 -7.332 1.00 0.00 N ATOM 586 CE2 TRP A 115 4.102 -3.781 -7.189 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.889 -2.031 -5.531 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.937 -2.969 -7.964 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.726 -1.213 -6.307 1.00 0.00 C ATOM 590 CH2 TRP A 115 5.250 -1.680 -7.521 1.00 0.00 C ATOM 0 H TRP A 115 -0.399 -4.625 -5.040 1.00 0.00 H new ATOM 0 HA TRP A 115 1.695 -6.537 -3.993 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.348 -3.480 -4.051 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.684 -4.290 -3.256 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.301 -6.378 -6.159 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.821 -5.669 -8.125 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.492 -1.660 -4.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 5.337 -3.335 -8.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.968 -0.217 -5.966 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.894 -1.046 -8.112 1.00 0.00 H new ATOM 601 N LYS A 116 1.051 -6.309 -1.568 1.00 0.00 N ATOM 602 CA LYS A 116 0.491 -6.332 -0.178 1.00 0.00 C ATOM 603 C LYS A 116 1.244 -5.306 0.673 1.00 0.00 C ATOM 604 O LYS A 116 2.444 -5.391 0.804 1.00 0.00 O ATOM 605 CB LYS A 116 0.763 -7.751 0.334 1.00 0.00 C ATOM 606 CG LYS A 116 -0.532 -8.570 0.319 1.00 0.00 C ATOM 607 CD LYS A 116 -0.188 -10.066 0.352 1.00 0.00 C ATOM 608 CE LYS A 116 -1.137 -10.798 1.305 1.00 0.00 C ATOM 609 NZ LYS A 116 -1.013 -12.237 0.941 1.00 0.00 N ATOM 0 H LYS A 116 1.895 -6.866 -1.701 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.571 -6.088 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 116 1.516 -8.234 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.166 -7.710 1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.151 -8.309 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.112 -8.338 -0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.267 -10.488 -0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.844 -10.204 0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.860 -10.629 2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.162 -10.448 1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.635 -12.804 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.290 -12.369 -0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.028 -12.544 1.070 1.00 0.00 H new ATOM 623 N ALA A 117 0.565 -4.333 1.238 1.00 0.00 N ATOM 624 CA ALA A 117 1.289 -3.302 2.053 1.00 0.00 C ATOM 625 C ALA A 117 0.602 -3.037 3.404 1.00 0.00 C ATOM 626 O ALA A 117 -0.563 -3.325 3.592 1.00 0.00 O ATOM 627 CB ALA A 117 1.251 -2.038 1.198 1.00 0.00 C ATOM 0 H ALA A 117 -0.445 -4.209 1.172 1.00 0.00 H new ATOM 0 HA ALA A 117 2.300 -3.634 2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.761 -1.229 1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.750 -2.227 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.215 -1.754 1.014 1.00 0.00 H new ATOM 633 N ARG A 118 1.331 -2.470 4.340 1.00 0.00 N ATOM 634 CA ARG A 118 0.757 -2.164 5.672 1.00 0.00 C ATOM 635 C ARG A 118 0.648 -0.646 5.858 1.00 0.00 C ATOM 636 O ARG A 118 1.630 0.069 5.802 1.00 0.00 O ATOM 637 CB ARG A 118 1.750 -2.779 6.673 1.00 0.00 C ATOM 638 CG ARG A 118 1.380 -2.400 8.118 1.00 0.00 C ATOM 639 CD ARG A 118 2.644 -1.998 8.889 1.00 0.00 C ATOM 640 NE ARG A 118 2.258 -2.036 10.335 1.00 0.00 N ATOM 641 CZ ARG A 118 3.165 -1.942 11.289 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.438 -1.777 11.013 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.788 -2.013 12.538 1.00 0.00 N ATOM 0 H ARG A 118 2.310 -2.207 4.226 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.248 -2.565 5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.754 -3.864 6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.759 -2.433 6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.666 -1.576 8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.894 -3.242 8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.465 -2.685 8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 118 2.981 -1.003 8.599 1.00 0.00 H new ATOM 0 HE ARG A 118 1.275 -2.136 10.588 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.746 -1.719 10.042 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.119 -1.707 11.769 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.802 -2.140 12.767 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.480 -1.942 13.284 1.00 0.00 H new ATOM 657 N SER A 119 -0.543 -0.159 6.095 1.00 0.00 N ATOM 658 CA SER A 119 -0.726 1.304 6.302 1.00 0.00 C ATOM 659 C SER A 119 -0.221 1.688 7.694 1.00 0.00 C ATOM 660 O SER A 119 -0.755 1.253 8.703 1.00 0.00 O ATOM 661 CB SER A 119 -2.232 1.549 6.179 1.00 0.00 C ATOM 662 OG SER A 119 -2.463 2.927 5.912 1.00 0.00 O ATOM 0 H SER A 119 -1.396 -0.715 6.154 1.00 0.00 H new ATOM 0 HA SER A 119 -0.171 1.902 5.579 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.648 0.937 5.379 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.736 1.255 7.100 1.00 0.00 H new ATOM 0 HG SER A 119 -3.426 3.087 5.831 1.00 0.00 H new ATOM 668 N LEU A 120 0.809 2.498 7.749 1.00 0.00 N ATOM 669 CA LEU A 120 1.372 2.922 9.066 1.00 0.00 C ATOM 670 C LEU A 120 0.382 3.829 9.796 1.00 0.00 C ATOM 671 O LEU A 120 0.396 3.922 11.010 1.00 0.00 O ATOM 672 CB LEU A 120 2.658 3.682 8.730 1.00 0.00 C ATOM 673 CG LEU A 120 3.674 2.717 8.114 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.499 3.448 7.052 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.606 2.191 9.207 1.00 0.00 C ATOM 0 H LEU A 120 1.285 2.884 6.934 1.00 0.00 H new ATOM 0 HA LEU A 120 1.566 2.074 9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.443 4.493 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.071 4.136 9.631 1.00 0.00 H new ATOM 0 HG LEU A 120 3.145 1.883 7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.222 2.759 6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.837 3.823 6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.027 4.283 7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.330 1.504 8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.133 3.026 9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.021 1.668 9.963 1.00 0.00 H new ATOM 687 N ALA A 121 -0.483 4.493 9.067 1.00 0.00 N ATOM 688 CA ALA A 121 -1.488 5.385 9.723 1.00 0.00 C ATOM 689 C ALA A 121 -2.381 4.564 10.661 1.00 0.00 C ATOM 690 O ALA A 121 -2.959 5.088 11.595 1.00 0.00 O ATOM 691 CB ALA A 121 -2.317 5.974 8.578 1.00 0.00 C ATOM 0 H ALA A 121 -0.536 4.455 8.049 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.017 6.164 10.322 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.077 6.641 8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.665 6.533 7.907 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.800 5.168 8.026 1.00 0.00 H new ATOM 697 N THR A 122 -2.495 3.280 10.416 1.00 0.00 N ATOM 698 CA THR A 122 -3.343 2.418 11.289 1.00 0.00 C ATOM 699 C THR A 122 -2.659 1.064 11.560 1.00 0.00 C ATOM 700 O THR A 122 -3.273 0.153 12.083 1.00 0.00 O ATOM 701 CB THR A 122 -4.638 2.214 10.496 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.322 1.848 9.160 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.456 3.509 10.487 1.00 0.00 C ATOM 0 H THR A 122 -2.035 2.794 9.646 1.00 0.00 H new ATOM 0 HA THR A 122 -3.519 2.874 12.263 1.00 0.00 H new ATOM 0 HB THR A 122 -5.223 1.423 10.966 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.093 2.023 8.582 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.375 3.355 9.921 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.703 3.790 11.511 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.873 4.304 10.023 1.00 0.00 H new ATOM 711 N ARG A 123 -1.395 0.916 11.207 1.00 0.00 N ATOM 712 CA ARG A 123 -0.678 -0.388 11.438 1.00 0.00 C ATOM 713 C ARG A 123 -1.496 -1.555 10.868 1.00 0.00 C ATOM 714 O ARG A 123 -1.433 -2.668 11.354 1.00 0.00 O ATOM 715 CB ARG A 123 -0.537 -0.509 12.960 1.00 0.00 C ATOM 716 CG ARG A 123 0.492 0.510 13.470 1.00 0.00 C ATOM 717 CD ARG A 123 -0.229 1.710 14.094 1.00 0.00 C ATOM 718 NE ARG A 123 -0.462 1.326 15.525 1.00 0.00 N ATOM 719 CZ ARG A 123 -0.882 2.206 16.415 1.00 0.00 C ATOM 720 NH1 ARG A 123 -1.095 3.462 16.094 1.00 0.00 N ATOM 721 NH2 ARG A 123 -1.085 1.817 17.645 1.00 0.00 N ATOM 0 H ARG A 123 -0.830 1.644 10.769 1.00 0.00 H new ATOM 0 HA ARG A 123 0.293 -0.416 10.943 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.501 -0.337 13.438 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.225 -1.519 13.226 1.00 0.00 H new ATOM 0 HG2 ARG A 123 1.145 0.043 14.207 1.00 0.00 H new ATOM 0 HG3 ARG A 123 1.126 0.842 12.648 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.376 2.614 14.022 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.170 1.914 13.583 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.292 0.364 15.817 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -0.936 3.778 15.137 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -1.420 4.121 16.801 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -0.919 0.845 17.907 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -1.409 2.485 18.344 1.00 0.00 H new ATOM 735 N LYS A 124 -2.243 -1.299 9.822 1.00 0.00 N ATOM 736 CA LYS A 124 -3.055 -2.379 9.185 1.00 0.00 C ATOM 737 C LYS A 124 -2.381 -2.794 7.882 1.00 0.00 C ATOM 738 O LYS A 124 -1.338 -2.282 7.554 1.00 0.00 O ATOM 739 CB LYS A 124 -4.414 -1.741 8.905 1.00 0.00 C ATOM 740 CG LYS A 124 -5.128 -1.457 10.228 1.00 0.00 C ATOM 741 CD LYS A 124 -6.642 -1.529 10.015 1.00 0.00 C ATOM 742 CE LYS A 124 -7.092 -0.388 9.097 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.065 -1.011 8.156 1.00 0.00 N ATOM 0 H LYS A 124 -2.325 -0.383 9.381 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.153 -3.267 9.810 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.284 -0.816 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.019 -2.406 8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.821 -2.182 10.982 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.849 -0.471 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.911 -2.489 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -7.157 -1.462 10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.555 0.418 9.667 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.247 0.045 8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -8.418 -0.290 7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -7.595 -1.770 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.862 -1.408 8.693 1.00 0.00 H new ATOM 757 N GLU A 125 -2.964 -3.696 7.128 1.00 0.00 N ATOM 758 CA GLU A 125 -2.326 -4.109 5.833 1.00 0.00 C ATOM 759 C GLU A 125 -3.350 -4.660 4.849 1.00 0.00 C ATOM 760 O GLU A 125 -4.404 -5.137 5.225 1.00 0.00 O ATOM 761 CB GLU A 125 -1.254 -5.172 6.156 1.00 0.00 C ATOM 762 CG GLU A 125 -1.696 -6.102 7.295 1.00 0.00 C ATOM 763 CD GLU A 125 -3.024 -6.778 6.939 1.00 0.00 C ATOM 764 OE1 GLU A 125 -3.065 -7.471 5.935 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.975 -6.591 7.678 1.00 0.00 O ATOM 0 H GLU A 125 -3.845 -4.161 7.348 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.874 -3.239 5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -1.048 -5.763 5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.323 -4.677 6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.931 -6.858 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.805 -5.533 8.218 1.00 0.00 H new ATOM 772 N GLY A 126 -3.029 -4.604 3.581 1.00 0.00 N ATOM 773 CA GLY A 126 -3.962 -5.125 2.550 1.00 0.00 C ATOM 774 C GLY A 126 -3.314 -5.066 1.169 1.00 0.00 C ATOM 775 O GLY A 126 -2.110 -4.998 1.034 1.00 0.00 O ATOM 0 H GLY A 126 -2.157 -4.218 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.238 -6.153 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.881 -4.539 2.553 1.00 0.00 H new ATOM 779 N TYR A 127 -4.123 -5.091 0.150 1.00 0.00 N ATOM 780 CA TYR A 127 -3.612 -5.055 -1.246 1.00 0.00 C ATOM 781 C TYR A 127 -3.591 -3.618 -1.767 1.00 0.00 C ATOM 782 O TYR A 127 -4.296 -2.762 -1.270 1.00 0.00 O ATOM 783 CB TYR A 127 -4.628 -5.879 -2.040 1.00 0.00 C ATOM 784 CG TYR A 127 -4.667 -7.298 -1.528 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.637 -8.193 -1.848 1.00 0.00 C ATOM 786 CD2 TYR A 127 -5.741 -7.719 -0.739 1.00 0.00 C ATOM 787 CE1 TYR A 127 -3.685 -9.512 -1.373 1.00 0.00 C ATOM 788 CE2 TYR A 127 -5.790 -9.035 -0.266 1.00 0.00 C ATOM 789 CZ TYR A 127 -4.762 -9.932 -0.581 1.00 0.00 C ATOM 790 OH TYR A 127 -4.810 -11.231 -0.114 1.00 0.00 O ATOM 0 H TYR A 127 -5.139 -5.136 0.228 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.596 -5.441 -1.327 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.617 -5.428 -1.957 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.364 -5.874 -3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -2.808 -7.868 -2.459 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.534 -7.028 -0.494 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.892 -10.203 -1.618 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -6.621 -9.359 0.342 1.00 0.00 H new ATOM 0 HH TYR A 127 -5.622 -11.357 0.420 1.00 0.00 H new ATOM 800 N ILE A 128 -2.791 -3.358 -2.769 1.00 0.00 N ATOM 801 CA ILE A 128 -2.708 -1.984 -3.346 1.00 0.00 C ATOM 802 C ILE A 128 -2.243 -2.071 -4.812 1.00 0.00 C ATOM 803 O ILE A 128 -1.206 -2.641 -5.086 1.00 0.00 O ATOM 804 CB ILE A 128 -1.669 -1.221 -2.500 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.351 -2.020 -2.418 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.214 -0.992 -1.087 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.816 -1.146 -2.888 1.00 0.00 C ATOM 0 H ILE A 128 -2.186 -4.047 -3.216 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.673 -1.478 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.473 -0.260 -2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.179 -2.352 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.419 -2.915 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.475 -0.452 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.132 -0.407 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.423 -1.953 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.744 -1.715 -2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.646 -0.836 -3.919 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.889 -0.264 -2.252 1.00 0.00 H new ATOM 819 N PRO A 129 -3.019 -1.519 -5.727 1.00 0.00 N ATOM 820 CA PRO A 129 -2.631 -1.577 -7.164 1.00 0.00 C ATOM 821 C PRO A 129 -1.271 -0.899 -7.367 1.00 0.00 C ATOM 822 O PRO A 129 -1.101 0.257 -7.053 1.00 0.00 O ATOM 823 CB PRO A 129 -3.741 -0.810 -7.889 1.00 0.00 C ATOM 824 CG PRO A 129 -4.878 -0.738 -6.919 1.00 0.00 C ATOM 825 CD PRO A 129 -4.290 -0.806 -5.535 1.00 0.00 C ATOM 0 HA PRO A 129 -2.529 -2.596 -7.537 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -3.406 0.187 -8.176 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.038 -1.322 -8.804 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -5.440 0.187 -7.053 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -5.575 -1.560 -7.082 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.131 0.189 -5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -4.947 -1.338 -4.847 1.00 0.00 H new ATOM 833 N SER A 130 -0.299 -1.621 -7.878 1.00 0.00 N ATOM 834 CA SER A 130 1.067 -1.030 -8.098 1.00 0.00 C ATOM 835 C SER A 130 0.981 0.280 -8.882 1.00 0.00 C ATOM 836 O SER A 130 1.751 1.196 -8.666 1.00 0.00 O ATOM 837 CB SER A 130 1.824 -2.061 -8.936 1.00 0.00 C ATOM 838 OG SER A 130 1.487 -3.372 -8.503 1.00 0.00 O ATOM 0 H SER A 130 -0.392 -2.599 -8.154 1.00 0.00 H new ATOM 0 HA SER A 130 1.554 -0.811 -7.148 1.00 0.00 H new ATOM 0 HB2 SER A 130 1.575 -1.941 -9.990 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.898 -1.902 -8.842 1.00 0.00 H new ATOM 0 HG SER A 130 2.069 -3.630 -7.758 1.00 0.00 H new ATOM 844 N ASN A 131 0.065 0.354 -9.808 1.00 0.00 N ATOM 845 CA ASN A 131 -0.074 1.594 -10.636 1.00 0.00 C ATOM 846 C ASN A 131 -0.740 2.723 -9.828 1.00 0.00 C ATOM 847 O ASN A 131 -0.770 3.861 -10.257 1.00 0.00 O ATOM 848 CB ASN A 131 -0.943 1.182 -11.830 1.00 0.00 C ATOM 849 CG ASN A 131 -2.289 0.638 -11.342 1.00 0.00 C ATOM 850 OD1 ASN A 131 -2.336 -0.305 -10.575 1.00 0.00 O ATOM 851 ND2 ASN A 131 -3.393 1.191 -11.763 1.00 0.00 N ATOM 0 H ASN A 131 -0.596 -0.390 -10.030 1.00 0.00 H new ATOM 0 HA ASN A 131 0.893 1.982 -10.955 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -1.104 2.039 -12.484 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -0.428 0.423 -12.419 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -4.295 0.833 -11.449 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -3.354 1.982 -12.406 1.00 0.00 H new ATOM 858 N TYR A 132 -1.248 2.422 -8.657 1.00 0.00 N ATOM 859 CA TYR A 132 -1.882 3.473 -7.804 1.00 0.00 C ATOM 860 C TYR A 132 -0.936 3.836 -6.656 1.00 0.00 C ATOM 861 O TYR A 132 -1.374 4.282 -5.610 1.00 0.00 O ATOM 862 CB TYR A 132 -3.130 2.810 -7.210 1.00 0.00 C ATOM 863 CG TYR A 132 -4.334 2.966 -8.118 1.00 0.00 C ATOM 864 CD1 TYR A 132 -4.204 2.896 -9.515 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.598 3.177 -7.548 1.00 0.00 C ATOM 866 CE1 TYR A 132 -5.332 3.037 -10.331 1.00 0.00 C ATOM 867 CE2 TYR A 132 -6.725 3.316 -8.367 1.00 0.00 C ATOM 868 CZ TYR A 132 -6.592 3.247 -9.757 1.00 0.00 C ATOM 869 OH TYR A 132 -7.704 3.384 -10.565 1.00 0.00 O ATOM 0 H TYR A 132 -1.250 1.485 -8.254 1.00 0.00 H new ATOM 0 HA TYR A 132 -2.111 4.375 -8.372 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -2.935 1.751 -7.043 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.348 3.251 -6.237 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.233 2.733 -9.959 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.702 3.232 -6.474 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -5.231 2.984 -11.405 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -7.697 3.477 -7.925 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.498 3.522 -10.008 1.00 0.00 H new ATOM 879 N VAL A 133 0.345 3.611 -6.821 1.00 0.00 N ATOM 880 CA VAL A 133 1.290 3.896 -5.705 1.00 0.00 C ATOM 881 C VAL A 133 2.726 4.064 -6.204 1.00 0.00 C ATOM 882 O VAL A 133 3.045 3.789 -7.346 1.00 0.00 O ATOM 883 CB VAL A 133 1.156 2.662 -4.803 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.559 1.391 -5.567 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.028 2.803 -3.564 1.00 0.00 C ATOM 0 H VAL A 133 0.771 3.246 -7.673 1.00 0.00 H new ATOM 0 HA VAL A 133 1.061 4.830 -5.191 1.00 0.00 H new ATOM 0 HB VAL A 133 0.113 2.583 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.458 0.525 -4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.911 1.267 -6.435 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.594 1.478 -5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.918 1.917 -2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.071 2.908 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.721 3.685 -3.001 1.00 0.00 H new ATOM 895 N ALA A 134 3.589 4.503 -5.332 1.00 0.00 N ATOM 896 CA ALA A 134 5.027 4.694 -5.699 1.00 0.00 C ATOM 897 C ALA A 134 5.920 4.189 -4.558 1.00 0.00 C ATOM 898 O ALA A 134 5.656 4.443 -3.400 1.00 0.00 O ATOM 899 CB ALA A 134 5.191 6.203 -5.887 1.00 0.00 C ATOM 0 H ALA A 134 3.360 4.742 -4.367 1.00 0.00 H new ATOM 0 HA ALA A 134 5.309 4.144 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.223 6.426 -6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.525 6.545 -6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.942 6.715 -4.957 1.00 0.00 H new ATOM 905 N ARG A 135 6.963 3.455 -4.871 1.00 0.00 N ATOM 906 CA ARG A 135 7.848 2.912 -3.795 1.00 0.00 C ATOM 907 C ARG A 135 8.866 3.943 -3.307 1.00 0.00 C ATOM 908 O ARG A 135 9.471 4.659 -4.079 1.00 0.00 O ATOM 909 CB ARG A 135 8.566 1.722 -4.429 1.00 0.00 C ATOM 910 CG ARG A 135 8.628 0.563 -3.424 1.00 0.00 C ATOM 911 CD ARG A 135 10.074 0.347 -2.964 1.00 0.00 C ATOM 912 NE ARG A 135 10.744 -0.356 -4.107 1.00 0.00 N ATOM 913 CZ ARG A 135 12.048 -0.544 -4.131 1.00 0.00 C ATOM 914 NH1 ARG A 135 12.814 -0.183 -3.128 1.00 0.00 N ATOM 915 NH2 ARG A 135 12.590 -1.117 -5.172 1.00 0.00 N ATOM 0 H ARG A 135 7.237 3.210 -5.822 1.00 0.00 H new ATOM 0 HA ARG A 135 7.263 2.634 -2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 135 8.042 1.407 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 135 9.573 2.010 -4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 135 7.993 0.781 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 135 8.243 -0.348 -3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 135 10.564 1.295 -2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 135 10.113 -0.252 -2.054 1.00 0.00 H new ATOM 0 HE ARG A 135 10.177 -0.696 -4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 135 12.402 0.255 -2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 135 13.821 -0.340 -3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 135 12.005 -1.413 -5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 135 13.598 -1.269 -5.204 1.00 0.00 H new