USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 435 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 124 SER OG : rot -141:sc= 0.0822 USER MOD Set 1.2: A 127 THR OG1 : rot -170:sc= 0.239 USER MOD Single : A 85 THR OG1 : rot -39:sc= -1.7! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 141:sc= 0.114 USER MOD Single : A 97 THR OG1 : rot -169:sc= 0.659 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -157:sc= 0.519 (180deg=0.269) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 114 SER OG : rot 51:sc= -0.102 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 107:sc= 1.15 USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.827 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot -178:sc= -0.707 USER MOD Single : A 136 ASN : amide:sc= -0.437 K(o=-0.44,f=-3!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 84 -12.642 3.240 -12.115 1.00 0.00 N ATOM 2 CA VAL A 84 -13.159 4.575 -11.699 1.00 0.00 C ATOM 3 C VAL A 84 -12.669 4.892 -10.286 1.00 0.00 C ATOM 4 O VAL A 84 -13.433 5.287 -9.427 1.00 0.00 O ATOM 5 CB VAL A 84 -14.688 4.556 -11.716 1.00 0.00 C ATOM 6 CG1 VAL A 84 -15.179 4.191 -13.118 1.00 0.00 C ATOM 7 CG2 VAL A 84 -15.197 3.518 -10.712 1.00 0.00 C ATOM 0 HA VAL A 84 -12.797 5.337 -12.389 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.066 5.542 -11.444 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.269 4.178 -13.130 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -14.817 4.929 -13.834 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -14.801 3.206 -13.391 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -16.287 3.504 -10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -14.819 2.533 -10.984 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -14.848 3.777 -9.712 1.00 0.00 H new ATOM 19 N THR A 85 -11.400 4.721 -10.036 1.00 0.00 N ATOM 20 CA THR A 85 -10.862 5.010 -8.679 1.00 0.00 C ATOM 21 C THR A 85 -9.332 5.000 -8.722 1.00 0.00 C ATOM 22 O THR A 85 -8.701 4.000 -8.446 1.00 0.00 O ATOM 23 CB THR A 85 -11.352 3.941 -7.700 1.00 0.00 C ATOM 24 OG1 THR A 85 -10.836 4.212 -6.405 1.00 0.00 O ATOM 25 CG2 THR A 85 -10.872 2.565 -8.165 1.00 0.00 C ATOM 0 H THR A 85 -10.712 4.393 -10.714 1.00 0.00 H new ATOM 0 HA THR A 85 -11.208 5.990 -8.352 1.00 0.00 H new ATOM 0 HB THR A 85 -12.441 3.952 -7.665 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.911 4.526 -6.481 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.221 1.803 -7.468 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.270 2.357 -9.158 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.783 2.553 -8.201 1.00 0.00 H new ATOM 33 N LEU A 86 -8.730 6.107 -9.066 1.00 0.00 N ATOM 34 CA LEU A 86 -7.242 6.158 -9.123 1.00 0.00 C ATOM 35 C LEU A 86 -6.698 6.606 -7.766 1.00 0.00 C ATOM 36 O LEU A 86 -7.353 7.315 -7.028 1.00 0.00 O ATOM 37 CB LEU A 86 -6.804 7.153 -10.201 1.00 0.00 C ATOM 38 CG LEU A 86 -7.018 6.538 -11.585 1.00 0.00 C ATOM 39 CD1 LEU A 86 -6.866 7.622 -12.654 1.00 0.00 C ATOM 40 CD2 LEU A 86 -5.977 5.441 -11.821 1.00 0.00 C ATOM 0 H LEU A 86 -9.204 6.977 -9.310 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.853 5.169 -9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.375 8.077 -10.111 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.754 7.412 -10.066 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.019 6.109 -11.642 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.018 7.184 -13.640 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.606 8.405 -12.486 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.865 8.051 -12.598 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.128 5.002 -12.807 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.977 5.870 -11.765 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.084 4.668 -11.059 1.00 0.00 H new ATOM 52 N PHE A 87 -5.506 6.200 -7.429 1.00 0.00 N ATOM 53 CA PHE A 87 -4.926 6.604 -6.117 1.00 0.00 C ATOM 54 C PHE A 87 -3.492 7.098 -6.319 1.00 0.00 C ATOM 55 O PHE A 87 -2.712 6.497 -7.031 1.00 0.00 O ATOM 56 CB PHE A 87 -4.917 5.403 -5.169 1.00 0.00 C ATOM 57 CG PHE A 87 -6.335 4.972 -4.883 1.00 0.00 C ATOM 58 CD1 PHE A 87 -7.055 4.250 -5.844 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.930 5.289 -3.656 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.369 3.849 -5.577 1.00 0.00 C ATOM 61 CE2 PHE A 87 -8.245 4.887 -3.389 1.00 0.00 C ATOM 62 CZ PHE A 87 -8.965 4.167 -4.350 1.00 0.00 C ATOM 0 H PHE A 87 -4.908 5.606 -8.004 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.530 7.404 -5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.359 4.580 -5.615 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.411 5.665 -4.239 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.596 4.003 -6.790 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.375 5.844 -2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.924 3.293 -6.318 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.703 5.132 -2.442 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.979 3.857 -4.145 1.00 0.00 H new ATOM 72 N VAL A 88 -3.138 8.186 -5.693 1.00 0.00 N ATOM 73 CA VAL A 88 -1.754 8.716 -5.841 1.00 0.00 C ATOM 74 C VAL A 88 -0.971 8.447 -4.554 1.00 0.00 C ATOM 75 O VAL A 88 -1.544 8.261 -3.497 1.00 0.00 O ATOM 76 CB VAL A 88 -1.807 10.222 -6.103 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.480 10.683 -6.709 1.00 0.00 C ATOM 78 CG2 VAL A 88 -2.946 10.528 -7.079 1.00 0.00 C ATOM 0 H VAL A 88 -3.748 8.732 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.261 8.223 -6.679 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.979 10.748 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.519 11.756 -6.895 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.332 10.464 -6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.307 10.158 -7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.986 11.601 -7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.772 10.001 -8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.892 10.200 -6.648 1.00 0.00 H new ATOM 88 N ALA A 89 0.331 8.426 -4.631 1.00 0.00 N ATOM 89 CA ALA A 89 1.147 8.168 -3.411 1.00 0.00 C ATOM 90 C ALA A 89 1.379 9.483 -2.666 1.00 0.00 C ATOM 91 O ALA A 89 2.053 10.372 -3.148 1.00 0.00 O ATOM 92 CB ALA A 89 2.493 7.563 -3.813 1.00 0.00 C ATOM 0 H ALA A 89 0.866 8.576 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 89 0.618 7.471 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.089 7.375 -2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.327 6.625 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.024 8.258 -4.464 1.00 0.00 H new ATOM 98 N LEU A 90 0.825 9.614 -1.491 1.00 0.00 N ATOM 99 CA LEU A 90 1.011 10.872 -0.714 1.00 0.00 C ATOM 100 C LEU A 90 2.401 10.877 -0.072 1.00 0.00 C ATOM 101 O LEU A 90 2.820 11.858 0.510 1.00 0.00 O ATOM 102 CB LEU A 90 -0.055 10.956 0.381 1.00 0.00 C ATOM 103 CG LEU A 90 -1.436 10.712 -0.231 1.00 0.00 C ATOM 104 CD1 LEU A 90 -2.274 9.861 0.723 1.00 0.00 C ATOM 105 CD2 LEU A 90 -2.134 12.054 -0.465 1.00 0.00 C ATOM 0 H LEU A 90 0.252 8.904 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 90 0.917 11.728 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.146 10.217 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.025 11.936 0.858 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.325 10.189 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.258 9.687 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.777 8.905 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.386 10.383 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.118 11.881 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.245 12.577 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.537 12.661 -1.146 1.00 0.00 H new ATOM 117 N TYR A 91 3.116 9.791 -0.169 1.00 0.00 N ATOM 118 CA TYR A 91 4.475 9.740 0.440 1.00 0.00 C ATOM 119 C TYR A 91 5.336 8.718 -0.305 1.00 0.00 C ATOM 120 O TYR A 91 4.837 7.769 -0.876 1.00 0.00 O ATOM 121 CB TYR A 91 4.357 9.331 1.910 1.00 0.00 C ATOM 122 CG TYR A 91 3.381 10.247 2.609 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.778 11.537 2.982 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.081 9.807 2.882 1.00 0.00 C ATOM 125 CE1 TYR A 91 2.874 12.387 3.630 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.177 10.657 3.530 1.00 0.00 C ATOM 127 CZ TYR A 91 1.573 11.947 3.903 1.00 0.00 C ATOM 128 OH TYR A 91 0.681 12.785 4.542 1.00 0.00 O ATOM 0 H TYR A 91 2.819 8.938 -0.643 1.00 0.00 H new ATOM 0 HA TYR A 91 4.940 10.723 0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.020 8.297 1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.333 9.384 2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.781 11.876 2.770 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.775 8.812 2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.180 13.382 3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.174 10.318 3.742 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.177 12.325 4.654 1.00 0.00 H new ATOM 138 N ASP A 92 6.627 8.904 -0.300 1.00 0.00 N ATOM 139 CA ASP A 92 7.522 7.944 -1.005 1.00 0.00 C ATOM 140 C ASP A 92 7.519 6.608 -0.260 1.00 0.00 C ATOM 141 O ASP A 92 6.971 6.492 0.819 1.00 0.00 O ATOM 142 CB ASP A 92 8.945 8.506 -1.041 1.00 0.00 C ATOM 143 CG ASP A 92 9.451 8.705 0.388 1.00 0.00 C ATOM 144 OD1 ASP A 92 8.699 8.424 1.307 1.00 0.00 O ATOM 145 OD2 ASP A 92 10.582 9.136 0.541 1.00 0.00 O ATOM 0 H ASP A 92 7.101 9.680 0.162 1.00 0.00 H new ATOM 0 HA ASP A 92 7.166 7.794 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.603 7.824 -1.580 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.959 9.454 -1.579 1.00 0.00 H new ATOM 150 N TYR A 93 8.127 5.600 -0.822 1.00 0.00 N ATOM 151 CA TYR A 93 8.155 4.276 -0.138 1.00 0.00 C ATOM 152 C TYR A 93 9.160 3.357 -0.835 1.00 0.00 C ATOM 153 O TYR A 93 9.209 3.278 -2.046 1.00 0.00 O ATOM 154 CB TYR A 93 6.763 3.642 -0.196 1.00 0.00 C ATOM 155 CG TYR A 93 6.826 2.245 0.374 1.00 0.00 C ATOM 156 CD1 TYR A 93 7.550 2.001 1.547 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.163 1.194 -0.271 1.00 0.00 C ATOM 158 CE1 TYR A 93 7.611 0.707 2.075 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.223 -0.100 0.258 1.00 0.00 C ATOM 160 CZ TYR A 93 6.948 -0.345 1.431 1.00 0.00 C ATOM 161 OH TYR A 93 7.007 -1.621 1.952 1.00 0.00 O ATOM 0 H TYR A 93 8.604 5.635 -1.723 1.00 0.00 H new ATOM 0 HA TYR A 93 8.451 4.414 0.902 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.052 4.246 0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.408 3.611 -1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.061 2.812 2.044 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.605 1.382 -1.177 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.170 0.519 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.710 -0.910 -0.239 1.00 0.00 H new ATOM 0 HH TYR A 93 6.134 -2.055 1.854 1.00 0.00 H new ATOM 171 N GLU A 94 9.956 2.654 -0.076 1.00 0.00 N ATOM 172 CA GLU A 94 10.951 1.732 -0.692 1.00 0.00 C ATOM 173 C GLU A 94 10.560 0.288 -0.374 1.00 0.00 C ATOM 174 O GLU A 94 10.838 -0.220 0.694 1.00 0.00 O ATOM 175 CB GLU A 94 12.344 2.024 -0.126 1.00 0.00 C ATOM 176 CG GLU A 94 12.314 1.914 1.399 1.00 0.00 C ATOM 177 CD GLU A 94 12.930 3.172 2.013 1.00 0.00 C ATOM 178 OE1 GLU A 94 13.723 3.808 1.339 1.00 0.00 O ATOM 179 OE2 GLU A 94 12.598 3.479 3.146 1.00 0.00 O ATOM 0 H GLU A 94 9.960 2.679 0.944 1.00 0.00 H new ATOM 0 HA GLU A 94 10.966 1.879 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.069 1.321 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.665 3.023 -0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.288 1.792 1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.866 1.031 1.722 1.00 0.00 H new ATOM 186 N ALA A 95 9.910 -0.372 -1.294 1.00 0.00 N ATOM 187 CA ALA A 95 9.488 -1.782 -1.053 1.00 0.00 C ATOM 188 C ALA A 95 10.610 -2.547 -0.351 1.00 0.00 C ATOM 189 O ALA A 95 11.747 -2.535 -0.777 1.00 0.00 O ATOM 190 CB ALA A 95 9.176 -2.455 -2.391 1.00 0.00 C ATOM 0 H ALA A 95 9.652 0.006 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 95 8.599 -1.788 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.867 -3.486 -2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.372 -1.915 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.066 -2.444 -3.020 1.00 0.00 H new ATOM 196 N ARG A 96 10.295 -3.216 0.724 1.00 0.00 N ATOM 197 CA ARG A 96 11.336 -3.988 1.454 1.00 0.00 C ATOM 198 C ARG A 96 11.173 -5.477 1.141 1.00 0.00 C ATOM 199 O ARG A 96 11.877 -6.314 1.672 1.00 0.00 O ATOM 200 CB ARG A 96 11.178 -3.762 2.959 1.00 0.00 C ATOM 201 CG ARG A 96 12.516 -4.012 3.658 1.00 0.00 C ATOM 202 CD ARG A 96 12.296 -4.084 5.170 1.00 0.00 C ATOM 203 NE ARG A 96 11.646 -2.827 5.638 1.00 0.00 N ATOM 204 CZ ARG A 96 11.878 -2.382 6.844 1.00 0.00 C ATOM 205 NH1 ARG A 96 13.051 -1.899 7.147 1.00 0.00 N ATOM 206 NH2 ARG A 96 10.936 -2.422 7.746 1.00 0.00 N ATOM 0 H ARG A 96 9.359 -3.260 1.128 1.00 0.00 H new ATOM 0 HA ARG A 96 12.325 -3.655 1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.841 -2.743 3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.416 -4.431 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.958 -4.942 3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.218 -3.213 3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.672 -4.943 5.417 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.249 -4.225 5.681 1.00 0.00 H new ATOM 0 HE ARG A 96 11.020 -2.314 5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.788 -1.869 6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.232 -1.552 8.089 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.019 -2.801 7.509 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.117 -2.075 8.688 1.00 0.00 H new ATOM 220 N THR A 97 10.247 -5.816 0.285 1.00 0.00 N ATOM 221 CA THR A 97 10.039 -7.251 -0.059 1.00 0.00 C ATOM 222 C THR A 97 9.809 -7.389 -1.566 1.00 0.00 C ATOM 223 O THR A 97 9.660 -6.412 -2.273 1.00 0.00 O ATOM 224 CB THR A 97 8.816 -7.782 0.693 1.00 0.00 C ATOM 225 OG1 THR A 97 8.403 -9.012 0.116 1.00 0.00 O ATOM 226 CG2 THR A 97 7.676 -6.765 0.600 1.00 0.00 C ATOM 0 H THR A 97 9.626 -5.161 -0.190 1.00 0.00 H new ATOM 0 HA THR A 97 10.921 -7.824 0.227 1.00 0.00 H new ATOM 0 HB THR A 97 9.075 -7.941 1.740 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.526 -9.263 0.474 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.806 -7.144 1.136 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.993 -5.821 1.044 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.416 -6.604 -0.446 1.00 0.00 H new ATOM 234 N GLU A 98 9.781 -8.596 -2.063 1.00 0.00 N ATOM 235 CA GLU A 98 9.562 -8.797 -3.522 1.00 0.00 C ATOM 236 C GLU A 98 8.059 -8.847 -3.812 1.00 0.00 C ATOM 237 O GLU A 98 7.636 -9.257 -4.875 1.00 0.00 O ATOM 238 CB GLU A 98 10.209 -10.114 -3.957 1.00 0.00 C ATOM 239 CG GLU A 98 9.637 -11.263 -3.125 1.00 0.00 C ATOM 240 CD GLU A 98 9.186 -12.393 -4.053 1.00 0.00 C ATOM 241 OE1 GLU A 98 9.903 -12.678 -4.998 1.00 0.00 O ATOM 242 OE2 GLU A 98 8.133 -12.954 -3.803 1.00 0.00 O ATOM 0 H GLU A 98 9.901 -9.451 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 98 10.010 -7.971 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.023 -10.290 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.290 -10.060 -3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.390 -11.630 -2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.795 -10.910 -2.529 1.00 0.00 H new ATOM 249 N ASP A 99 7.251 -8.436 -2.874 1.00 0.00 N ATOM 250 CA ASP A 99 5.777 -8.464 -3.099 1.00 0.00 C ATOM 251 C ASP A 99 5.205 -7.055 -2.931 1.00 0.00 C ATOM 252 O ASP A 99 4.006 -6.857 -2.933 1.00 0.00 O ATOM 253 CB ASP A 99 5.125 -9.404 -2.083 1.00 0.00 C ATOM 254 CG ASP A 99 5.380 -8.884 -0.667 1.00 0.00 C ATOM 255 OD1 ASP A 99 4.990 -7.761 -0.390 1.00 0.00 O ATOM 256 OD2 ASP A 99 5.961 -9.616 0.116 1.00 0.00 O ATOM 0 H ASP A 99 7.546 -8.083 -1.964 1.00 0.00 H new ATOM 0 HA ASP A 99 5.571 -8.819 -4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.053 -9.471 -2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.530 -10.410 -2.191 1.00 0.00 H new ATOM 261 N ASP A 100 6.051 -6.073 -2.787 1.00 0.00 N ATOM 262 CA ASP A 100 5.552 -4.678 -2.620 1.00 0.00 C ATOM 263 C ASP A 100 6.082 -3.810 -3.764 1.00 0.00 C ATOM 264 O ASP A 100 6.908 -4.236 -4.547 1.00 0.00 O ATOM 265 CB ASP A 100 6.041 -4.117 -1.284 1.00 0.00 C ATOM 266 CG ASP A 100 5.109 -4.581 -0.163 1.00 0.00 C ATOM 267 OD1 ASP A 100 3.942 -4.224 -0.203 1.00 0.00 O ATOM 268 OD2 ASP A 100 5.576 -5.285 0.717 1.00 0.00 O ATOM 0 H ASP A 100 7.066 -6.175 -2.778 1.00 0.00 H new ATOM 0 HA ASP A 100 4.462 -4.676 -2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.059 -4.453 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.067 -3.028 -1.322 1.00 0.00 H new ATOM 273 N LEU A 101 5.614 -2.596 -3.868 1.00 0.00 N ATOM 274 CA LEU A 101 6.094 -1.707 -4.962 1.00 0.00 C ATOM 275 C LEU A 101 6.833 -0.509 -4.364 1.00 0.00 C ATOM 276 O LEU A 101 6.715 -0.215 -3.191 1.00 0.00 O ATOM 277 CB LEU A 101 4.900 -1.208 -5.777 1.00 0.00 C ATOM 278 CG LEU A 101 4.036 -2.397 -6.201 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.562 -1.986 -6.187 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.427 -2.831 -7.614 1.00 0.00 C ATOM 0 H LEU A 101 4.921 -2.183 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 101 6.770 -2.266 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.309 -0.509 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.248 -0.666 -6.657 1.00 0.00 H new ATOM 0 HG LEU A 101 4.191 -3.224 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.945 -2.833 -6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.281 -1.673 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.408 -1.159 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.812 -3.678 -7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.271 -2.003 -8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.477 -3.122 -7.628 1.00 0.00 H new ATOM 292 N SER A 102 7.589 0.188 -5.166 1.00 0.00 N ATOM 293 CA SER A 102 8.333 1.373 -4.653 1.00 0.00 C ATOM 294 C SER A 102 7.992 2.589 -5.515 1.00 0.00 C ATOM 295 O SER A 102 7.602 2.460 -6.658 1.00 0.00 O ATOM 296 CB SER A 102 9.836 1.103 -4.722 1.00 0.00 C ATOM 297 OG SER A 102 10.073 -0.024 -5.556 1.00 0.00 O ATOM 0 H SER A 102 7.724 -0.012 -6.157 1.00 0.00 H new ATOM 0 HA SER A 102 8.050 1.565 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.356 1.976 -5.115 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.231 0.920 -3.723 1.00 0.00 H new ATOM 0 HG SER A 102 11.036 -0.199 -5.604 1.00 0.00 H new ATOM 303 N PHE A 103 8.130 3.770 -4.979 1.00 0.00 N ATOM 304 CA PHE A 103 7.806 4.985 -5.777 1.00 0.00 C ATOM 305 C PHE A 103 8.044 6.235 -4.927 1.00 0.00 C ATOM 306 O PHE A 103 8.521 6.160 -3.813 1.00 0.00 O ATOM 307 CB PHE A 103 6.338 4.932 -6.204 1.00 0.00 C ATOM 308 CG PHE A 103 5.486 4.560 -5.013 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.052 5.555 -4.127 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.131 3.224 -4.792 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.264 5.212 -3.023 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.343 2.883 -3.687 1.00 0.00 C ATOM 313 CZ PHE A 103 3.909 3.877 -2.802 1.00 0.00 C ATOM 0 H PHE A 103 8.452 3.946 -4.027 1.00 0.00 H new ATOM 0 HA PHE A 103 8.444 5.022 -6.660 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.027 5.899 -6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.206 4.202 -7.003 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.326 6.586 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.465 2.456 -5.474 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.929 5.979 -2.340 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.069 1.852 -3.517 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.301 3.614 -1.949 1.00 0.00 H new ATOM 323 N HIS A 104 7.710 7.386 -5.445 1.00 0.00 N ATOM 324 CA HIS A 104 7.912 8.640 -4.668 1.00 0.00 C ATOM 325 C HIS A 104 6.584 9.393 -4.572 1.00 0.00 C ATOM 326 O HIS A 104 5.673 9.161 -5.341 1.00 0.00 O ATOM 327 CB HIS A 104 8.947 9.519 -5.374 1.00 0.00 C ATOM 328 CG HIS A 104 10.077 9.821 -4.429 1.00 0.00 C ATOM 329 ND1 HIS A 104 10.218 11.057 -3.816 1.00 0.00 N ATOM 330 CD2 HIS A 104 11.126 9.058 -3.981 1.00 0.00 C ATOM 331 CE1 HIS A 104 11.315 11.000 -3.039 1.00 0.00 C ATOM 332 NE2 HIS A 104 11.907 9.805 -3.103 1.00 0.00 N ATOM 0 H HIS A 104 7.306 7.511 -6.373 1.00 0.00 H new ATOM 0 HA HIS A 104 8.268 8.396 -3.667 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.326 9.011 -6.261 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.483 10.446 -5.711 1.00 0.00 H new ATOM 0 HD2 HIS A 104 11.317 8.034 -4.266 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.673 11.822 -2.436 1.00 0.00 H new ATOM 0 HE2 HIS A 104 12.750 9.504 -2.614 1.00 0.00 H new ATOM 340 N LYS A 105 6.463 10.293 -3.635 1.00 0.00 N ATOM 341 CA LYS A 105 5.191 11.053 -3.498 1.00 0.00 C ATOM 342 C LYS A 105 4.850 11.719 -4.832 1.00 0.00 C ATOM 343 O LYS A 105 5.550 12.598 -5.294 1.00 0.00 O ATOM 344 CB LYS A 105 5.347 12.125 -2.417 1.00 0.00 C ATOM 345 CG LYS A 105 4.146 13.070 -2.464 1.00 0.00 C ATOM 346 CD LYS A 105 4.248 14.087 -1.326 1.00 0.00 C ATOM 347 CE LYS A 105 4.019 15.494 -1.879 1.00 0.00 C ATOM 348 NZ LYS A 105 5.333 16.132 -2.175 1.00 0.00 N ATOM 0 H LYS A 105 7.189 10.534 -2.960 1.00 0.00 H new ATOM 0 HA LYS A 105 4.389 10.370 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.419 11.659 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.270 12.684 -2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.113 13.585 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.220 12.502 -2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.510 13.863 -0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.229 14.025 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.414 15.446 -2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.466 16.094 -1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.177 17.089 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.895 16.190 -1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.845 15.562 -2.879 1.00 0.00 H new ATOM 362 N GLY A 106 3.780 11.307 -5.454 1.00 0.00 N ATOM 363 CA GLY A 106 3.396 11.917 -6.759 1.00 0.00 C ATOM 364 C GLY A 106 3.212 10.817 -7.806 1.00 0.00 C ATOM 365 O GLY A 106 2.819 11.072 -8.927 1.00 0.00 O ATOM 0 H GLY A 106 3.155 10.575 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.473 12.486 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.165 12.618 -7.084 1.00 0.00 H new ATOM 369 N GLU A 107 3.496 9.592 -7.452 1.00 0.00 N ATOM 370 CA GLU A 107 3.338 8.478 -8.429 1.00 0.00 C ATOM 371 C GLU A 107 1.867 8.060 -8.493 1.00 0.00 C ATOM 372 O GLU A 107 1.150 8.125 -7.515 1.00 0.00 O ATOM 373 CB GLU A 107 4.188 7.285 -7.982 1.00 0.00 C ATOM 374 CG GLU A 107 5.150 6.894 -9.106 1.00 0.00 C ATOM 375 CD GLU A 107 4.532 5.770 -9.940 1.00 0.00 C ATOM 376 OE1 GLU A 107 3.732 6.076 -10.809 1.00 0.00 O ATOM 377 OE2 GLU A 107 4.868 4.624 -9.695 1.00 0.00 O ATOM 0 H GLU A 107 3.830 9.316 -6.529 1.00 0.00 H new ATOM 0 HA GLU A 107 3.665 8.809 -9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.748 7.541 -7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.546 6.442 -7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.358 7.758 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.102 6.569 -8.687 1.00 0.00 H new ATOM 384 N LYS A 108 1.410 7.634 -9.639 1.00 0.00 N ATOM 385 CA LYS A 108 -0.015 7.215 -9.764 1.00 0.00 C ATOM 386 C LYS A 108 -0.110 5.690 -9.664 1.00 0.00 C ATOM 387 O LYS A 108 0.795 4.975 -10.046 1.00 0.00 O ATOM 388 CB LYS A 108 -0.563 7.673 -11.116 1.00 0.00 C ATOM 389 CG LYS A 108 -0.794 9.185 -11.085 1.00 0.00 C ATOM 390 CD LYS A 108 0.496 9.907 -11.480 1.00 0.00 C ATOM 391 CE LYS A 108 0.198 11.388 -11.729 1.00 0.00 C ATOM 392 NZ LYS A 108 1.383 12.205 -11.343 1.00 0.00 N ATOM 0 H LYS A 108 1.962 7.558 -10.494 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.599 7.668 -8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.138 7.417 -11.910 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.497 7.156 -11.336 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.598 9.455 -11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.106 9.495 -10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 108 1.240 9.803 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.918 9.454 -12.377 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.042 11.550 -12.780 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.674 11.697 -11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.081 13.178 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.828 11.793 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.068 12.215 -12.126 1.00 0.00 H new ATOM 406 N PHE A 109 -1.201 5.188 -9.152 1.00 0.00 N ATOM 407 CA PHE A 109 -1.353 3.710 -9.028 1.00 0.00 C ATOM 408 C PHE A 109 -2.813 3.324 -9.272 1.00 0.00 C ATOM 409 O PHE A 109 -3.720 4.084 -8.995 1.00 0.00 O ATOM 410 CB PHE A 109 -0.946 3.270 -7.620 1.00 0.00 C ATOM 411 CG PHE A 109 0.542 3.449 -7.439 1.00 0.00 C ATOM 412 CD1 PHE A 109 1.438 2.745 -8.253 1.00 0.00 C ATOM 413 CD2 PHE A 109 1.027 4.318 -6.453 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.817 2.909 -8.080 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.406 4.481 -6.280 1.00 0.00 C ATOM 416 CZ PHE A 109 3.301 3.777 -7.093 1.00 0.00 C ATOM 0 H PHE A 109 -1.992 5.736 -8.815 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.716 3.220 -9.764 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.485 3.856 -6.876 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.218 2.226 -7.462 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.065 2.076 -9.014 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.336 4.862 -5.826 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.508 2.366 -8.708 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.779 5.150 -5.519 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.365 3.903 -6.959 1.00 0.00 H new ATOM 426 N GLN A 110 -3.049 2.146 -9.783 1.00 0.00 N ATOM 427 CA GLN A 110 -4.451 1.711 -10.036 1.00 0.00 C ATOM 428 C GLN A 110 -4.864 0.698 -8.966 1.00 0.00 C ATOM 429 O GLN A 110 -4.473 -0.452 -9.006 1.00 0.00 O ATOM 430 CB GLN A 110 -4.543 1.062 -11.418 1.00 0.00 C ATOM 431 CG GLN A 110 -4.311 2.122 -12.497 1.00 0.00 C ATOM 432 CD GLN A 110 -5.177 1.808 -13.718 1.00 0.00 C ATOM 433 OE1 GLN A 110 -4.739 1.137 -14.631 1.00 0.00 O ATOM 434 NE2 GLN A 110 -6.397 2.268 -13.773 1.00 0.00 N ATOM 0 H GLN A 110 -2.331 1.467 -10.036 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.115 2.574 -9.999 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.802 0.268 -11.508 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.522 0.601 -11.551 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.556 3.111 -12.109 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -3.259 2.143 -12.780 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -6.765 2.831 -13.006 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -6.983 2.064 -14.583 1.00 0.00 H new ATOM 443 N ILE A 111 -5.645 1.115 -8.007 1.00 0.00 N ATOM 444 CA ILE A 111 -6.071 0.172 -6.934 1.00 0.00 C ATOM 445 C ILE A 111 -7.175 -0.747 -7.460 1.00 0.00 C ATOM 446 O ILE A 111 -8.245 -0.304 -7.826 1.00 0.00 O ATOM 447 CB ILE A 111 -6.599 0.960 -5.732 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.456 1.740 -5.073 1.00 0.00 C ATOM 449 CG2 ILE A 111 -7.204 -0.009 -4.715 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.437 0.767 -4.473 1.00 0.00 C ATOM 0 H ILE A 111 -6.006 2.065 -7.920 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.214 -0.428 -6.628 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.361 1.661 -6.072 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.970 2.381 -5.809 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.851 2.392 -4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.580 0.551 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.024 -0.558 -5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.440 -0.711 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.628 1.329 -4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.926 0.145 -3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.031 0.133 -5.262 1.00 0.00 H new ATOM 462 N LEU A 112 -6.923 -2.027 -7.489 1.00 0.00 N ATOM 463 CA LEU A 112 -7.955 -2.982 -7.978 1.00 0.00 C ATOM 464 C LEU A 112 -8.617 -3.649 -6.772 1.00 0.00 C ATOM 465 O LEU A 112 -9.803 -3.913 -6.766 1.00 0.00 O ATOM 466 CB LEU A 112 -7.295 -4.055 -8.851 1.00 0.00 C ATOM 467 CG LEU A 112 -6.088 -3.463 -9.583 1.00 0.00 C ATOM 468 CD1 LEU A 112 -5.228 -4.595 -10.145 1.00 0.00 C ATOM 469 CD2 LEU A 112 -6.573 -2.575 -10.731 1.00 0.00 C ATOM 0 H LEU A 112 -6.044 -2.453 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.700 -2.448 -8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.980 -4.896 -8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.015 -4.442 -9.572 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.497 -2.868 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.368 -4.174 -10.666 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.883 -5.229 -9.329 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.819 -5.190 -10.841 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.714 -2.153 -11.253 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.164 -3.171 -11.427 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.187 -1.768 -10.332 1.00 0.00 H new ATOM 481 N ASN A 113 -7.853 -3.917 -5.752 1.00 0.00 N ATOM 482 CA ASN A 113 -8.420 -4.562 -4.535 1.00 0.00 C ATOM 483 C ASN A 113 -7.948 -3.800 -3.294 1.00 0.00 C ATOM 484 O ASN A 113 -6.769 -3.731 -3.009 1.00 0.00 O ATOM 485 CB ASN A 113 -7.939 -6.012 -4.457 1.00 0.00 C ATOM 486 CG ASN A 113 -9.137 -6.955 -4.569 1.00 0.00 C ATOM 487 OD1 ASN A 113 -9.850 -6.937 -5.554 1.00 0.00 O ATOM 488 ND2 ASN A 113 -9.391 -7.785 -3.595 1.00 0.00 N ATOM 0 H ASN A 113 -6.854 -3.716 -5.708 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.509 -4.543 -4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -7.228 -6.214 -5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.416 -6.182 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -10.188 -8.419 -3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -8.793 -7.800 -2.769 1.00 0.00 H new ATOM 495 N SER A 114 -8.857 -3.223 -2.557 1.00 0.00 N ATOM 496 CA SER A 114 -8.453 -2.463 -1.339 1.00 0.00 C ATOM 497 C SER A 114 -9.579 -2.512 -0.305 1.00 0.00 C ATOM 498 O SER A 114 -10.387 -1.609 -0.211 1.00 0.00 O ATOM 499 CB SER A 114 -8.173 -1.008 -1.718 1.00 0.00 C ATOM 500 OG SER A 114 -9.233 -0.524 -2.533 1.00 0.00 O ATOM 0 H SER A 114 -9.859 -3.244 -2.744 1.00 0.00 H new ATOM 0 HA SER A 114 -7.554 -2.910 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.081 -0.397 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.225 -0.935 -2.252 1.00 0.00 H new ATOM 0 HG SER A 114 -10.091 -0.704 -2.095 1.00 0.00 H new ATOM 506 N SER A 115 -9.636 -3.556 0.474 1.00 0.00 N ATOM 507 CA SER A 115 -10.707 -3.660 1.506 1.00 0.00 C ATOM 508 C SER A 115 -10.151 -3.199 2.853 1.00 0.00 C ATOM 509 O SER A 115 -10.385 -2.089 3.287 1.00 0.00 O ATOM 510 CB SER A 115 -11.170 -5.113 1.615 1.00 0.00 C ATOM 511 OG SER A 115 -12.515 -5.212 1.166 1.00 0.00 O ATOM 0 H SER A 115 -8.987 -4.342 0.441 1.00 0.00 H new ATOM 0 HA SER A 115 -11.552 -3.032 1.224 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.526 -5.758 1.017 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.093 -5.455 2.647 1.00 0.00 H new ATOM 0 HG SER A 115 -12.815 -6.143 1.233 1.00 0.00 H new ATOM 517 N GLU A 116 -9.413 -4.044 3.513 1.00 0.00 N ATOM 518 CA GLU A 116 -8.832 -3.661 4.830 1.00 0.00 C ATOM 519 C GLU A 116 -7.326 -3.930 4.815 1.00 0.00 C ATOM 520 O GLU A 116 -6.747 -4.204 3.783 1.00 0.00 O ATOM 521 CB GLU A 116 -9.490 -4.488 5.939 1.00 0.00 C ATOM 522 CG GLU A 116 -10.998 -4.234 5.937 1.00 0.00 C ATOM 523 CD GLU A 116 -11.282 -2.841 6.503 1.00 0.00 C ATOM 524 OE1 GLU A 116 -10.376 -2.262 7.078 1.00 0.00 O ATOM 525 OE2 GLU A 116 -12.401 -2.379 6.353 1.00 0.00 O ATOM 0 H GLU A 116 -9.186 -4.987 3.197 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.011 -2.602 5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.289 -5.548 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.067 -4.220 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.389 -4.313 4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.506 -4.991 6.534 1.00 0.00 H new ATOM 532 N GLY A 117 -6.686 -3.857 5.950 1.00 0.00 N ATOM 533 CA GLY A 117 -5.217 -4.111 5.993 1.00 0.00 C ATOM 534 C GLY A 117 -4.467 -2.872 5.499 1.00 0.00 C ATOM 535 O GLY A 117 -5.060 -1.926 5.018 1.00 0.00 O ATOM 0 H GLY A 117 -7.115 -3.633 6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -4.909 -4.353 7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -4.968 -4.971 5.371 1.00 0.00 H new ATOM 539 N ASP A 118 -3.167 -2.869 5.614 1.00 0.00 N ATOM 540 CA ASP A 118 -2.379 -1.690 5.153 1.00 0.00 C ATOM 541 C ASP A 118 -1.631 -2.043 3.866 1.00 0.00 C ATOM 542 O ASP A 118 -0.671 -1.394 3.499 1.00 0.00 O ATOM 543 CB ASP A 118 -1.370 -1.299 6.235 1.00 0.00 C ATOM 544 CG ASP A 118 -0.845 0.112 5.960 1.00 0.00 C ATOM 545 OD1 ASP A 118 -1.614 1.048 6.105 1.00 0.00 O ATOM 546 OD2 ASP A 118 0.316 0.232 5.608 1.00 0.00 O ATOM 0 H ASP A 118 -2.616 -3.632 6.007 1.00 0.00 H new ATOM 0 HA ASP A 118 -3.054 -0.856 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.841 -1.338 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.543 -2.009 6.250 1.00 0.00 H new ATOM 551 N TRP A 119 -2.055 -3.069 3.178 1.00 0.00 N ATOM 552 CA TRP A 119 -1.356 -3.456 1.919 1.00 0.00 C ATOM 553 C TRP A 119 -2.379 -3.685 0.802 1.00 0.00 C ATOM 554 O TRP A 119 -2.958 -4.746 0.684 1.00 0.00 O ATOM 555 CB TRP A 119 -0.563 -4.744 2.154 1.00 0.00 C ATOM 556 CG TRP A 119 0.538 -4.479 3.129 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.553 -4.897 4.413 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.780 -3.745 2.921 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.726 -4.469 5.010 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.515 -3.755 4.130 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.335 -3.078 1.813 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.757 -3.126 4.237 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.584 -2.445 1.917 1.00 0.00 C ATOM 564 CH2 TRP A 119 4.294 -2.469 3.125 1.00 0.00 C ATOM 0 H TRP A 119 -2.851 -3.653 3.432 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.678 -2.655 1.625 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -1.221 -5.525 2.535 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -0.150 -5.107 1.213 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.224 -5.472 4.895 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.977 -4.658 5.981 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.797 -3.053 0.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 4.299 -3.147 5.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 4.000 -1.936 1.060 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.255 -1.981 3.197 1.00 0.00 H new ATOM 575 N TRP A 120 -2.595 -2.698 -0.026 1.00 0.00 N ATOM 576 CA TRP A 120 -3.568 -2.858 -1.143 1.00 0.00 C ATOM 577 C TRP A 120 -2.835 -3.392 -2.375 1.00 0.00 C ATOM 578 O TRP A 120 -1.628 -3.520 -2.381 1.00 0.00 O ATOM 579 CB TRP A 120 -4.184 -1.500 -1.486 1.00 0.00 C ATOM 580 CG TRP A 120 -5.143 -1.085 -0.419 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.581 -1.871 0.590 1.00 0.00 C ATOM 582 CD2 TRP A 120 -5.791 0.207 -0.244 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.456 -1.141 1.376 1.00 0.00 N ATOM 584 CE2 TRP A 120 -6.618 0.147 0.901 1.00 0.00 C ATOM 585 CE3 TRP A 120 -5.738 1.413 -0.963 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -7.368 1.247 1.318 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -6.490 2.522 -0.549 1.00 0.00 C ATOM 588 CH2 TRP A 120 -7.305 2.440 0.590 1.00 0.00 C ATOM 0 H TRP A 120 -2.139 -1.787 0.024 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.352 -3.552 -0.842 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.398 -0.752 -1.590 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.698 -1.558 -2.445 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.295 -2.899 0.756 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -6.924 -1.509 2.204 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.113 1.487 -1.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -7.993 1.178 2.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -6.441 3.444 -1.110 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -7.883 3.297 0.904 1.00 0.00 H new ATOM 599 N GLU A 121 -3.554 -3.692 -3.422 1.00 0.00 N ATOM 600 CA GLU A 121 -2.894 -4.201 -4.661 1.00 0.00 C ATOM 601 C GLU A 121 -3.123 -3.195 -5.788 1.00 0.00 C ATOM 602 O GLU A 121 -4.233 -3.005 -6.246 1.00 0.00 O ATOM 603 CB GLU A 121 -3.483 -5.562 -5.068 1.00 0.00 C ATOM 604 CG GLU A 121 -4.522 -6.028 -4.041 1.00 0.00 C ATOM 605 CD GLU A 121 -3.833 -6.291 -2.701 1.00 0.00 C ATOM 606 OE1 GLU A 121 -2.617 -6.211 -2.656 1.00 0.00 O ATOM 607 OE2 GLU A 121 -4.534 -6.568 -1.741 1.00 0.00 O ATOM 0 H GLU A 121 -4.569 -3.607 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.828 -4.326 -4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.945 -5.485 -6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.685 -6.301 -5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -5.296 -5.270 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.015 -6.934 -4.392 1.00 0.00 H new ATOM 614 N ALA A 122 -2.088 -2.538 -6.233 1.00 0.00 N ATOM 615 CA ALA A 122 -2.260 -1.536 -7.323 1.00 0.00 C ATOM 616 C ALA A 122 -1.275 -1.822 -8.456 1.00 0.00 C ATOM 617 O ALA A 122 -0.276 -2.489 -8.275 1.00 0.00 O ATOM 618 CB ALA A 122 -2.001 -0.135 -6.768 1.00 0.00 C ATOM 0 H ALA A 122 -1.134 -2.651 -5.891 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.277 -1.598 -7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.126 0.600 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.708 0.075 -5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.984 -0.080 -6.379 1.00 0.00 H new ATOM 624 N ARG A 123 -1.551 -1.315 -9.626 1.00 0.00 N ATOM 625 CA ARG A 123 -0.635 -1.544 -10.776 1.00 0.00 C ATOM 626 C ARG A 123 0.186 -0.276 -11.022 1.00 0.00 C ATOM 627 O ARG A 123 -0.332 0.824 -10.994 1.00 0.00 O ATOM 628 CB ARG A 123 -1.458 -1.870 -12.027 1.00 0.00 C ATOM 629 CG ARG A 123 -0.870 -3.101 -12.721 1.00 0.00 C ATOM 630 CD ARG A 123 -0.831 -2.866 -14.232 1.00 0.00 C ATOM 631 NE ARG A 123 -2.196 -3.054 -14.801 1.00 0.00 N ATOM 632 CZ ARG A 123 -2.391 -2.922 -16.084 1.00 0.00 C ATOM 633 NH1 ARG A 123 -1.479 -2.354 -16.827 1.00 0.00 N ATOM 634 NH2 ARG A 123 -3.495 -3.358 -16.626 1.00 0.00 N ATOM 0 H ARG A 123 -2.374 -0.750 -9.834 1.00 0.00 H new ATOM 0 HA ARG A 123 0.032 -2.377 -10.555 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.497 -2.056 -11.753 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.455 -1.019 -12.709 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.135 -3.297 -12.347 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -1.472 -3.981 -12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.473 -1.859 -14.445 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -0.132 -3.559 -14.700 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.977 -3.286 -14.187 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -0.615 -2.014 -16.404 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -1.631 -2.250 -17.830 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -4.207 -3.803 -16.046 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -3.646 -3.254 -17.629 1.00 0.00 H new ATOM 648 N SER A 124 1.462 -0.416 -11.257 1.00 0.00 N ATOM 649 CA SER A 124 2.310 0.785 -11.501 1.00 0.00 C ATOM 650 C SER A 124 2.054 1.313 -12.914 1.00 0.00 C ATOM 651 O SER A 124 2.165 0.593 -13.886 1.00 0.00 O ATOM 652 CB SER A 124 3.785 0.405 -11.357 1.00 0.00 C ATOM 653 OG SER A 124 4.279 0.902 -10.120 1.00 0.00 O ATOM 0 H SER A 124 1.954 -1.309 -11.291 1.00 0.00 H new ATOM 0 HA SER A 124 2.061 1.559 -10.775 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.899 -0.678 -11.399 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.362 0.818 -12.185 1.00 0.00 H new ATOM 0 HG SER A 124 5.192 1.236 -10.243 1.00 0.00 H new ATOM 659 N LEU A 125 1.713 2.568 -13.035 1.00 0.00 N ATOM 660 CA LEU A 125 1.451 3.143 -14.385 1.00 0.00 C ATOM 661 C LEU A 125 2.768 3.620 -15.001 1.00 0.00 C ATOM 662 O LEU A 125 2.892 3.749 -16.202 1.00 0.00 O ATOM 663 CB LEU A 125 0.491 4.328 -14.260 1.00 0.00 C ATOM 664 CG LEU A 125 -0.932 3.814 -14.042 1.00 0.00 C ATOM 665 CD1 LEU A 125 -1.768 4.901 -13.364 1.00 0.00 C ATOM 666 CD2 LEU A 125 -1.559 3.458 -15.392 1.00 0.00 C ATOM 0 H LEU A 125 1.605 3.219 -12.257 1.00 0.00 H new ATOM 0 HA LEU A 125 1.005 2.380 -15.022 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.790 4.965 -13.428 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.533 4.940 -15.161 1.00 0.00 H new ATOM 0 HG LEU A 125 -0.904 2.927 -13.409 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.783 4.535 -13.208 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.323 5.156 -12.402 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.795 5.787 -13.998 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.574 3.091 -15.237 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.586 4.345 -16.026 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.964 2.684 -15.877 1.00 0.00 H new ATOM 678 N THR A 126 3.754 3.886 -14.186 1.00 0.00 N ATOM 679 CA THR A 126 5.059 4.357 -14.728 1.00 0.00 C ATOM 680 C THR A 126 6.022 3.174 -14.849 1.00 0.00 C ATOM 681 O THR A 126 6.830 3.110 -15.754 1.00 0.00 O ATOM 682 CB THR A 126 5.655 5.404 -13.783 1.00 0.00 C ATOM 683 OG1 THR A 126 4.651 6.339 -13.418 1.00 0.00 O ATOM 684 CG2 THR A 126 6.802 6.133 -14.485 1.00 0.00 C ATOM 0 H THR A 126 3.711 3.797 -13.171 1.00 0.00 H new ATOM 0 HA THR A 126 4.904 4.799 -15.712 1.00 0.00 H new ATOM 0 HB THR A 126 6.034 4.911 -12.888 1.00 0.00 H new ATOM 0 HG1 THR A 126 4.379 6.181 -12.490 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.226 6.878 -13.812 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.573 5.415 -14.763 1.00 0.00 H new ATOM 0 HG23 THR A 126 6.425 6.626 -15.381 1.00 0.00 H new ATOM 692 N THR A 127 5.943 2.238 -13.944 1.00 0.00 N ATOM 693 CA THR A 127 6.856 1.061 -14.010 1.00 0.00 C ATOM 694 C THR A 127 6.094 -0.144 -14.566 1.00 0.00 C ATOM 695 O THR A 127 6.680 -1.110 -15.012 1.00 0.00 O ATOM 696 CB THR A 127 7.372 0.737 -12.605 1.00 0.00 C ATOM 697 OG1 THR A 127 6.621 1.468 -11.645 1.00 0.00 O ATOM 698 CG2 THR A 127 8.849 1.120 -12.500 1.00 0.00 C ATOM 0 H THR A 127 5.287 2.237 -13.163 1.00 0.00 H new ATOM 0 HA THR A 127 7.699 1.289 -14.662 1.00 0.00 H new ATOM 0 HB THR A 127 7.262 -0.331 -12.415 1.00 0.00 H new ATOM 0 HG1 THR A 127 7.047 1.387 -10.766 1.00 0.00 H new ATOM 0 HG21 THR A 127 9.215 0.889 -11.500 1.00 0.00 H new ATOM 0 HG22 THR A 127 9.424 0.557 -13.235 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.963 2.187 -12.690 1.00 0.00 H new ATOM 706 N GLY A 128 4.790 -0.094 -14.542 1.00 0.00 N ATOM 707 CA GLY A 128 3.990 -1.238 -15.068 1.00 0.00 C ATOM 708 C GLY A 128 4.177 -2.453 -14.160 1.00 0.00 C ATOM 709 O GLY A 128 3.771 -3.552 -14.484 1.00 0.00 O ATOM 0 H GLY A 128 4.244 0.688 -14.181 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.936 -0.966 -15.116 1.00 0.00 H new ATOM 0 HA3 GLY A 128 4.304 -1.478 -16.084 1.00 0.00 H new ATOM 713 N GLU A 129 4.788 -2.267 -13.021 1.00 0.00 N ATOM 714 CA GLU A 129 4.999 -3.412 -12.093 1.00 0.00 C ATOM 715 C GLU A 129 3.818 -3.509 -11.126 1.00 0.00 C ATOM 716 O GLU A 129 3.522 -2.583 -10.397 1.00 0.00 O ATOM 717 CB GLU A 129 6.290 -3.194 -11.299 1.00 0.00 C ATOM 718 CG GLU A 129 7.444 -3.923 -11.988 1.00 0.00 C ATOM 719 CD GLU A 129 7.623 -5.306 -11.361 1.00 0.00 C ATOM 720 OE1 GLU A 129 6.904 -6.210 -11.753 1.00 0.00 O ATOM 721 OE2 GLU A 129 8.477 -5.438 -10.501 1.00 0.00 O ATOM 0 H GLU A 129 5.150 -1.371 -12.694 1.00 0.00 H new ATOM 0 HA GLU A 129 5.076 -4.335 -12.667 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.510 -2.129 -11.228 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.169 -3.563 -10.281 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.242 -4.019 -13.055 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.363 -3.346 -11.889 1.00 0.00 H new ATOM 728 N THR A 130 3.139 -4.624 -11.113 1.00 0.00 N ATOM 729 CA THR A 130 1.977 -4.777 -10.192 1.00 0.00 C ATOM 730 C THR A 130 2.463 -5.343 -8.855 1.00 0.00 C ATOM 731 O THR A 130 3.240 -6.276 -8.812 1.00 0.00 O ATOM 732 CB THR A 130 0.955 -5.733 -10.813 1.00 0.00 C ATOM 733 OG1 THR A 130 0.838 -5.462 -12.202 1.00 0.00 O ATOM 734 CG2 THR A 130 -0.403 -5.538 -10.137 1.00 0.00 C ATOM 0 H THR A 130 3.338 -5.434 -11.699 1.00 0.00 H new ATOM 0 HA THR A 130 1.509 -3.806 -10.028 1.00 0.00 H new ATOM 0 HB THR A 130 1.285 -6.762 -10.671 1.00 0.00 H new ATOM 0 HG1 THR A 130 0.185 -6.075 -12.601 1.00 0.00 H new ATOM 0 HG21 THR A 130 -1.131 -6.219 -10.579 1.00 0.00 H new ATOM 0 HG22 THR A 130 -0.312 -5.747 -9.071 1.00 0.00 H new ATOM 0 HG23 THR A 130 -0.736 -4.510 -10.278 1.00 0.00 H new ATOM 742 N GLY A 131 2.013 -4.786 -7.764 1.00 0.00 N ATOM 743 CA GLY A 131 2.456 -5.293 -6.435 1.00 0.00 C ATOM 744 C GLY A 131 1.531 -4.750 -5.346 1.00 0.00 C ATOM 745 O GLY A 131 0.442 -4.285 -5.619 1.00 0.00 O ATOM 0 H GLY A 131 1.359 -4.004 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.443 -6.383 -6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.483 -4.985 -6.241 1.00 0.00 H new ATOM 749 N TYR A 132 1.953 -4.806 -4.113 1.00 0.00 N ATOM 750 CA TYR A 132 1.093 -4.294 -3.009 1.00 0.00 C ATOM 751 C TYR A 132 1.720 -3.033 -2.411 1.00 0.00 C ATOM 752 O TYR A 132 2.860 -3.034 -1.990 1.00 0.00 O ATOM 753 CB TYR A 132 0.968 -5.362 -1.920 1.00 0.00 C ATOM 754 CG TYR A 132 0.389 -6.633 -2.504 1.00 0.00 C ATOM 755 CD1 TYR A 132 -0.278 -6.606 -3.737 1.00 0.00 C ATOM 756 CD2 TYR A 132 0.521 -7.841 -1.808 1.00 0.00 C ATOM 757 CE1 TYR A 132 -0.811 -7.786 -4.270 1.00 0.00 C ATOM 758 CE2 TYR A 132 -0.014 -9.020 -2.342 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.679 -8.992 -3.573 1.00 0.00 C ATOM 760 OH TYR A 132 -1.205 -10.154 -4.100 1.00 0.00 O ATOM 0 H TYR A 132 2.855 -5.184 -3.822 1.00 0.00 H new ATOM 0 HA TYR A 132 0.105 -4.057 -3.404 1.00 0.00 H new ATOM 0 HB2 TYR A 132 1.946 -5.565 -1.485 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.330 -4.999 -1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -0.381 -5.675 -4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 132 1.036 -7.863 -0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -1.324 -7.765 -5.220 1.00 0.00 H new ATOM 0 HE2 TYR A 132 0.087 -9.951 -1.804 1.00 0.00 H new ATOM 0 HH TYR A 132 -1.025 -10.900 -3.491 1.00 0.00 H new ATOM 770 N ILE A 133 0.981 -1.959 -2.361 1.00 0.00 N ATOM 771 CA ILE A 133 1.531 -0.701 -1.780 1.00 0.00 C ATOM 772 C ILE A 133 0.758 -0.362 -0.504 1.00 0.00 C ATOM 773 O ILE A 133 -0.362 -0.795 -0.331 1.00 0.00 O ATOM 774 CB ILE A 133 1.381 0.443 -2.787 1.00 0.00 C ATOM 775 CG1 ILE A 133 -0.080 0.547 -3.230 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.263 0.171 -4.005 1.00 0.00 C ATOM 777 CD1 ILE A 133 -0.208 1.625 -4.309 1.00 0.00 C ATOM 0 H ILE A 133 0.020 -1.898 -2.697 1.00 0.00 H new ATOM 0 HA ILE A 133 2.587 -0.837 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 133 1.686 1.379 -2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.424 -0.413 -3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.713 0.793 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.156 0.986 -4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.304 0.099 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.959 -0.766 -4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.248 1.701 -4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 133 0.119 2.584 -3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 133 0.414 1.359 -5.164 1.00 0.00 H new ATOM 789 N PRO A 134 1.380 0.404 0.353 1.00 0.00 N ATOM 790 CA PRO A 134 0.760 0.811 1.623 1.00 0.00 C ATOM 791 C PRO A 134 -0.534 1.584 1.354 1.00 0.00 C ATOM 792 O PRO A 134 -0.538 2.579 0.657 1.00 0.00 O ATOM 793 CB PRO A 134 1.805 1.709 2.302 1.00 0.00 C ATOM 794 CG PRO A 134 3.039 1.785 1.365 1.00 0.00 C ATOM 795 CD PRO A 134 2.738 0.928 0.125 1.00 0.00 C ATOM 0 HA PRO A 134 0.491 -0.040 2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.397 2.704 2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 134 2.086 1.302 3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 134 3.238 2.817 1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.930 1.419 1.876 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.785 1.522 -0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.461 0.120 0.017 1.00 0.00 H new ATOM 803 N SER A 135 -1.631 1.129 1.893 1.00 0.00 N ATOM 804 CA SER A 135 -2.924 1.836 1.662 1.00 0.00 C ATOM 805 C SER A 135 -2.870 3.222 2.307 1.00 0.00 C ATOM 806 O SER A 135 -3.426 4.175 1.798 1.00 0.00 O ATOM 807 CB SER A 135 -4.064 1.029 2.284 1.00 0.00 C ATOM 808 OG SER A 135 -3.824 0.870 3.676 1.00 0.00 O ATOM 0 H SER A 135 -1.689 0.299 2.483 1.00 0.00 H new ATOM 0 HA SER A 135 -3.095 1.940 0.590 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.015 1.538 2.123 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.139 0.054 1.803 1.00 0.00 H new ATOM 0 HG SER A 135 -4.538 0.327 4.071 1.00 0.00 H new ATOM 814 N ASN A 136 -2.205 3.342 3.422 1.00 0.00 N ATOM 815 CA ASN A 136 -2.117 4.667 4.096 1.00 0.00 C ATOM 816 C ASN A 136 -1.201 5.592 3.291 1.00 0.00 C ATOM 817 O ASN A 136 -1.081 6.765 3.577 1.00 0.00 O ATOM 818 CB ASN A 136 -1.546 4.486 5.503 1.00 0.00 C ATOM 819 CG ASN A 136 -1.687 5.794 6.285 1.00 0.00 C ATOM 820 OD1 ASN A 136 -2.359 6.706 5.848 1.00 0.00 O ATOM 821 ND2 ASN A 136 -1.078 5.923 7.432 1.00 0.00 N ATOM 0 H ASN A 136 -1.719 2.580 3.895 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.112 5.107 4.160 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -2.072 3.683 6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -0.497 4.195 5.446 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -1.166 6.790 7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -0.514 5.157 7.799 1.00 0.00 H new ATOM 828 N TYR A 137 -0.551 5.070 2.286 1.00 0.00 N ATOM 829 CA TYR A 137 0.358 5.918 1.465 1.00 0.00 C ATOM 830 C TYR A 137 -0.314 6.249 0.130 1.00 0.00 C ATOM 831 O TYR A 137 0.310 6.752 -0.782 1.00 0.00 O ATOM 832 CB TYR A 137 1.662 5.161 1.202 1.00 0.00 C ATOM 833 CG TYR A 137 2.642 5.440 2.316 1.00 0.00 C ATOM 834 CD1 TYR A 137 2.256 5.259 3.649 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.936 5.881 2.015 1.00 0.00 C ATOM 836 CE1 TYR A 137 3.165 5.517 4.682 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.845 6.140 3.048 1.00 0.00 C ATOM 838 CZ TYR A 137 4.459 5.958 4.382 1.00 0.00 C ATOM 839 OH TYR A 137 5.354 6.213 5.401 1.00 0.00 O ATOM 0 H TYR A 137 -0.611 4.093 1.999 1.00 0.00 H new ATOM 0 HA TYR A 137 0.573 6.842 2.002 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.466 4.091 1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 137 2.086 5.467 0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 137 1.257 4.920 3.881 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.233 6.021 0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.868 5.376 5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.844 6.480 2.816 1.00 0.00 H new ATOM 0 HH TYR A 137 6.207 6.510 5.021 1.00 0.00 H new ATOM 849 N VAL A 138 -1.583 5.966 0.006 1.00 0.00 N ATOM 850 CA VAL A 138 -2.289 6.265 -1.273 1.00 0.00 C ATOM 851 C VAL A 138 -3.662 6.870 -0.976 1.00 0.00 C ATOM 852 O VAL A 138 -4.254 6.618 0.055 1.00 0.00 O ATOM 853 CB VAL A 138 -2.468 4.972 -2.071 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.102 4.330 -2.325 1.00 0.00 C ATOM 855 CG2 VAL A 138 -3.345 4.003 -1.276 1.00 0.00 C ATOM 0 H VAL A 138 -2.160 5.542 0.733 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.698 6.975 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 138 -2.944 5.198 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.233 3.409 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.475 5.020 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.624 4.103 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.474 3.081 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.868 3.779 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -4.319 4.458 -1.096 1.00 0.00 H new ATOM 865 N ALA A 139 -4.176 7.666 -1.874 1.00 0.00 N ATOM 866 CA ALA A 139 -5.513 8.285 -1.645 1.00 0.00 C ATOM 867 C ALA A 139 -6.179 8.571 -2.996 1.00 0.00 C ATOM 868 O ALA A 139 -5.508 8.872 -3.962 1.00 0.00 O ATOM 869 CB ALA A 139 -5.344 9.595 -0.873 1.00 0.00 C ATOM 0 H ALA A 139 -3.728 7.914 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.136 7.602 -1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.321 10.047 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.869 9.393 0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.721 10.279 -1.449 1.00 0.00 H new ATOM 875 N PRO A 140 -7.485 8.465 -3.023 1.00 0.00 N ATOM 876 CA PRO A 140 -8.266 8.707 -4.248 1.00 0.00 C ATOM 877 C PRO A 140 -8.052 10.141 -4.744 1.00 0.00 C ATOM 878 O PRO A 140 -8.189 11.092 -4.000 1.00 0.00 O ATOM 879 CB PRO A 140 -9.728 8.488 -3.834 1.00 0.00 C ATOM 880 CG PRO A 140 -9.740 8.111 -2.329 1.00 0.00 C ATOM 881 CD PRO A 140 -8.283 8.099 -1.838 1.00 0.00 C ATOM 0 HA PRO A 140 -7.970 8.047 -5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.314 9.391 -4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.180 7.696 -4.431 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.329 8.830 -1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.201 7.134 -2.183 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -8.133 8.810 -1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -8.001 7.117 -1.459 1.00 0.00 H new ATOM 889 N VAL A 141 -7.717 10.300 -5.996 1.00 0.00 N ATOM 890 CA VAL A 141 -7.493 11.668 -6.542 1.00 0.00 C ATOM 891 C VAL A 141 -8.792 12.473 -6.454 1.00 0.00 C ATOM 892 O VAL A 141 -9.840 11.894 -6.689 1.00 0.00 O ATOM 893 CB VAL A 141 -7.055 11.568 -8.006 1.00 0.00 C ATOM 894 CG1 VAL A 141 -8.210 11.028 -8.852 1.00 0.00 C ATOM 895 CG2 VAL A 141 -6.657 12.955 -8.516 1.00 0.00 C ATOM 896 OXT VAL A 141 -8.716 13.653 -6.153 1.00 0.00 O ATOM 0 H VAL A 141 -7.589 9.540 -6.664 1.00 0.00 H new ATOM 0 HA VAL A 141 -6.716 12.167 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.203 10.893 -8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.896 10.958 -9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.494 10.040 -8.491 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -9.063 11.702 -8.775 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -6.345 12.884 -9.558 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -7.509 13.630 -8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.833 13.340 -7.916 1.00 0.00 H new TER 906 VAL A 141