USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=14 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 Single : A 85 THR OG1 : rot 122:sc= 0.00267 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 57:sc= -0.808 USER MOD Single : A 97 THR OG1 : rot 144:sc= -0.769! USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -2.05 X(o=-2,f=-2!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -8.78! C(o=-8.8!,f=-11!) USER MOD Single : A 113 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.76) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot -36:sc= 0.00205 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.928 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 84 -12.797 2.068 -11.410 1.00 0.00 N ATOM 2 CA VAL A 84 -12.470 3.520 -11.345 1.00 0.00 C ATOM 3 C VAL A 84 -11.909 3.853 -9.961 1.00 0.00 C ATOM 4 O VAL A 84 -12.580 4.435 -9.131 1.00 0.00 O ATOM 5 CB VAL A 84 -13.739 4.340 -11.593 1.00 0.00 C ATOM 6 CG1 VAL A 84 -14.252 4.070 -13.009 1.00 0.00 C ATOM 7 CG2 VAL A 84 -14.812 3.938 -10.580 1.00 0.00 C ATOM 0 HA VAL A 84 -11.728 3.761 -12.106 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.513 5.401 -11.483 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -15.155 4.654 -13.186 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -13.488 4.355 -13.733 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -14.478 3.009 -13.118 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.716 4.522 -10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.038 2.877 -10.691 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -14.448 4.128 -9.570 1.00 0.00 H new ATOM 19 N THR A 85 -10.683 3.487 -9.704 1.00 0.00 N ATOM 20 CA THR A 85 -10.081 3.782 -8.374 1.00 0.00 C ATOM 21 C THR A 85 -8.654 4.303 -8.558 1.00 0.00 C ATOM 22 O THR A 85 -7.691 3.595 -8.339 1.00 0.00 O ATOM 23 CB THR A 85 -10.052 2.503 -7.535 1.00 0.00 C ATOM 24 OG1 THR A 85 -10.618 1.435 -8.282 1.00 0.00 O ATOM 25 CG2 THR A 85 -10.856 2.713 -6.251 1.00 0.00 C ATOM 0 H THR A 85 -10.073 2.997 -10.358 1.00 0.00 H new ATOM 0 HA THR A 85 -10.679 4.539 -7.867 1.00 0.00 H new ATOM 0 HB THR A 85 -9.021 2.261 -7.278 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.964 0.710 -8.363 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.834 1.801 -5.655 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.420 3.531 -5.678 1.00 0.00 H new ATOM 0 HG23 THR A 85 -11.888 2.957 -6.504 1.00 0.00 H new ATOM 33 N LEU A 86 -8.510 5.538 -8.955 1.00 0.00 N ATOM 34 CA LEU A 86 -7.145 6.102 -9.149 1.00 0.00 C ATOM 35 C LEU A 86 -6.695 6.788 -7.858 1.00 0.00 C ATOM 36 O LEU A 86 -7.448 7.504 -7.230 1.00 0.00 O ATOM 37 CB LEU A 86 -7.171 7.121 -10.290 1.00 0.00 C ATOM 38 CG LEU A 86 -7.754 6.465 -11.543 1.00 0.00 C ATOM 39 CD1 LEU A 86 -8.051 7.537 -12.593 1.00 0.00 C ATOM 40 CD2 LEU A 86 -6.746 5.464 -12.110 1.00 0.00 C ATOM 0 H LEU A 86 -9.278 6.180 -9.153 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.449 5.301 -9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.771 7.986 -10.006 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.163 7.484 -10.491 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.677 5.947 -11.283 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.466 7.068 -13.485 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.770 8.251 -12.191 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.129 8.057 -12.853 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.161 4.996 -13.003 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.823 5.983 -12.368 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.535 4.698 -11.364 1.00 0.00 H new ATOM 52 N PHE A 87 -5.474 6.569 -7.453 1.00 0.00 N ATOM 53 CA PHE A 87 -4.982 7.204 -6.198 1.00 0.00 C ATOM 54 C PHE A 87 -3.618 7.850 -6.444 1.00 0.00 C ATOM 55 O PHE A 87 -3.116 7.864 -7.551 1.00 0.00 O ATOM 56 CB PHE A 87 -4.844 6.138 -5.110 1.00 0.00 C ATOM 57 CG PHE A 87 -6.211 5.766 -4.589 1.00 0.00 C ATOM 58 CD1 PHE A 87 -7.130 5.125 -5.428 1.00 0.00 C ATOM 59 CD2 PHE A 87 -6.557 6.062 -3.267 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.397 4.779 -4.943 1.00 0.00 C ATOM 61 CE2 PHE A 87 -7.823 5.717 -2.780 1.00 0.00 C ATOM 62 CZ PHE A 87 -8.744 5.076 -3.619 1.00 0.00 C ATOM 0 H PHE A 87 -4.797 5.979 -7.936 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.692 7.967 -5.880 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.345 5.256 -5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.223 6.513 -4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.862 4.897 -6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.847 6.557 -2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.106 4.283 -5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.090 5.945 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.722 4.811 -3.245 1.00 0.00 H new ATOM 72 N VAL A 88 -3.014 8.379 -5.416 1.00 0.00 N ATOM 73 CA VAL A 88 -1.678 9.021 -5.581 1.00 0.00 C ATOM 74 C VAL A 88 -0.822 8.714 -4.353 1.00 0.00 C ATOM 75 O VAL A 88 -1.321 8.606 -3.251 1.00 0.00 O ATOM 76 CB VAL A 88 -1.837 10.540 -5.712 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.777 11.082 -6.673 1.00 0.00 C ATOM 78 CG2 VAL A 88 -3.231 10.875 -6.251 1.00 0.00 C ATOM 0 H VAL A 88 -3.388 8.395 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.201 8.631 -6.480 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.712 10.998 -4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.889 12.162 -6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.216 10.853 -6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.902 10.618 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.336 11.956 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.363 10.415 -7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.988 10.493 -5.566 1.00 0.00 H new ATOM 88 N ALA A 89 0.462 8.578 -4.530 1.00 0.00 N ATOM 89 CA ALA A 89 1.341 8.286 -3.364 1.00 0.00 C ATOM 90 C ALA A 89 1.614 9.588 -2.607 1.00 0.00 C ATOM 91 O ALA A 89 2.145 10.536 -3.153 1.00 0.00 O ATOM 92 CB ALA A 89 2.661 7.683 -3.852 1.00 0.00 C ATOM 0 H ALA A 89 0.940 8.656 -5.428 1.00 0.00 H new ATOM 0 HA ALA A 89 0.850 7.574 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.302 7.470 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.460 6.759 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.161 8.390 -4.514 1.00 0.00 H new ATOM 98 N LEU A 90 1.242 9.649 -1.360 1.00 0.00 N ATOM 99 CA LEU A 90 1.466 10.896 -0.576 1.00 0.00 C ATOM 100 C LEU A 90 2.880 10.896 0.012 1.00 0.00 C ATOM 101 O LEU A 90 3.400 11.924 0.393 1.00 0.00 O ATOM 102 CB LEU A 90 0.447 10.973 0.565 1.00 0.00 C ATOM 103 CG LEU A 90 -0.943 10.596 0.045 1.00 0.00 C ATOM 104 CD1 LEU A 90 -1.640 9.693 1.065 1.00 0.00 C ATOM 105 CD2 LEU A 90 -1.771 11.867 -0.160 1.00 0.00 C ATOM 0 H LEU A 90 0.792 8.889 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 90 1.348 11.756 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.739 10.300 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.429 11.980 0.981 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.847 10.067 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.630 9.424 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.050 8.789 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.738 10.222 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.761 11.601 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.868 12.395 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.274 12.512 -0.885 1.00 0.00 H new ATOM 117 N TYR A 91 3.507 9.753 0.094 1.00 0.00 N ATOM 118 CA TYR A 91 4.884 9.707 0.667 1.00 0.00 C ATOM 119 C TYR A 91 5.756 8.758 -0.159 1.00 0.00 C ATOM 120 O TYR A 91 5.273 8.041 -1.014 1.00 0.00 O ATOM 121 CB TYR A 91 4.825 9.208 2.114 1.00 0.00 C ATOM 122 CG TYR A 91 3.489 9.560 2.726 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.212 10.884 3.090 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.527 8.565 2.928 1.00 0.00 C ATOM 125 CE1 TYR A 91 1.975 11.211 3.654 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.289 8.891 3.493 1.00 0.00 C ATOM 127 CZ TYR A 91 1.012 10.214 3.857 1.00 0.00 C ATOM 128 OH TYR A 91 -0.208 10.537 4.413 1.00 0.00 O ATOM 0 H TYR A 91 3.129 8.855 -0.208 1.00 0.00 H new ATOM 0 HA TYR A 91 5.313 10.709 0.644 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.974 8.129 2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.631 9.656 2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.954 11.653 2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.740 7.544 2.648 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.762 12.232 3.933 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.547 8.122 3.648 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.759 9.730 4.483 1.00 0.00 H new ATOM 138 N ASP A 92 7.036 8.745 0.094 1.00 0.00 N ATOM 139 CA ASP A 92 7.939 7.839 -0.671 1.00 0.00 C ATOM 140 C ASP A 92 8.003 6.481 0.031 1.00 0.00 C ATOM 141 O ASP A 92 8.130 6.401 1.237 1.00 0.00 O ATOM 142 CB ASP A 92 9.343 8.447 -0.732 1.00 0.00 C ATOM 143 CG ASP A 92 9.294 9.775 -1.489 1.00 0.00 C ATOM 144 OD1 ASP A 92 8.303 10.473 -1.357 1.00 0.00 O ATOM 145 OD2 ASP A 92 10.250 10.073 -2.187 1.00 0.00 O ATOM 0 H ASP A 92 7.496 9.323 0.798 1.00 0.00 H new ATOM 0 HA ASP A 92 7.556 7.712 -1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.726 8.605 0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.027 7.759 -1.228 1.00 0.00 H new ATOM 150 N TYR A 93 7.912 5.411 -0.711 1.00 0.00 N ATOM 151 CA TYR A 93 7.965 4.064 -0.078 1.00 0.00 C ATOM 152 C TYR A 93 9.059 3.225 -0.743 1.00 0.00 C ATOM 153 O TYR A 93 9.235 3.256 -1.946 1.00 0.00 O ATOM 154 CB TYR A 93 6.613 3.368 -0.249 1.00 0.00 C ATOM 155 CG TYR A 93 6.705 1.953 0.269 1.00 0.00 C ATOM 156 CD1 TYR A 93 6.498 1.689 1.628 1.00 0.00 C ATOM 157 CD2 TYR A 93 7.001 0.904 -0.611 1.00 0.00 C ATOM 158 CE1 TYR A 93 6.586 0.377 2.109 1.00 0.00 C ATOM 159 CE2 TYR A 93 7.089 -0.408 -0.130 1.00 0.00 C ATOM 160 CZ TYR A 93 6.881 -0.672 1.229 1.00 0.00 C ATOM 161 OH TYR A 93 6.969 -1.965 1.702 1.00 0.00 O ATOM 0 H TYR A 93 7.804 5.412 -1.725 1.00 0.00 H new ATOM 0 HA TYR A 93 8.188 4.172 0.983 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.840 3.915 0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.325 3.364 -1.300 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.270 2.498 2.306 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.161 1.107 -1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.427 0.174 3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.318 -1.217 -0.808 1.00 0.00 H new ATOM 0 HH TYR A 93 6.130 -2.209 2.145 1.00 0.00 H new ATOM 171 N GLU A 94 9.795 2.473 0.030 1.00 0.00 N ATOM 172 CA GLU A 94 10.874 1.630 -0.555 1.00 0.00 C ATOM 173 C GLU A 94 10.506 0.155 -0.393 1.00 0.00 C ATOM 174 O GLU A 94 10.373 -0.345 0.706 1.00 0.00 O ATOM 175 CB GLU A 94 12.192 1.910 0.173 1.00 0.00 C ATOM 176 CG GLU A 94 12.725 3.283 -0.243 1.00 0.00 C ATOM 177 CD GLU A 94 14.254 3.251 -0.275 1.00 0.00 C ATOM 178 OE1 GLU A 94 14.829 2.528 0.521 1.00 0.00 O ATOM 179 OE2 GLU A 94 14.823 3.952 -1.096 1.00 0.00 O ATOM 0 H GLU A 94 9.695 2.407 1.043 1.00 0.00 H new ATOM 0 HA GLU A 94 10.988 1.864 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.037 1.880 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.923 1.137 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.336 3.553 -1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.382 4.045 0.457 1.00 0.00 H new ATOM 186 N ALA A 95 10.335 -0.547 -1.480 1.00 0.00 N ATOM 187 CA ALA A 95 9.971 -1.989 -1.386 1.00 0.00 C ATOM 188 C ALA A 95 10.951 -2.705 -0.455 1.00 0.00 C ATOM 189 O ALA A 95 12.034 -3.087 -0.853 1.00 0.00 O ATOM 190 CB ALA A 95 10.033 -2.623 -2.776 1.00 0.00 C ATOM 0 H ALA A 95 10.432 -0.184 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 95 8.960 -2.082 -0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.767 -3.678 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.333 -2.115 -3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.043 -2.529 -3.174 1.00 0.00 H new ATOM 196 N ARG A 96 10.580 -2.894 0.782 1.00 0.00 N ATOM 197 CA ARG A 96 11.491 -3.588 1.736 1.00 0.00 C ATOM 198 C ARG A 96 11.213 -5.092 1.699 1.00 0.00 C ATOM 199 O ARG A 96 11.961 -5.885 2.237 1.00 0.00 O ATOM 200 CB ARG A 96 11.250 -3.061 3.153 1.00 0.00 C ATOM 201 CG ARG A 96 11.646 -1.585 3.225 1.00 0.00 C ATOM 202 CD ARG A 96 13.082 -1.464 3.742 1.00 0.00 C ATOM 203 NE ARG A 96 13.931 -0.817 2.702 1.00 0.00 N ATOM 204 CZ ARG A 96 15.231 -0.919 2.763 1.00 0.00 C ATOM 205 NH1 ARG A 96 15.817 -1.110 3.913 1.00 0.00 N ATOM 206 NH2 ARG A 96 15.944 -0.830 1.674 1.00 0.00 N ATOM 0 H ARG A 96 9.686 -2.598 1.173 1.00 0.00 H new ATOM 0 HA ARG A 96 12.526 -3.399 1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.201 -3.180 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.831 -3.640 3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.564 -1.127 2.239 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.965 -1.047 3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.101 -0.876 4.660 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.476 -2.450 3.987 1.00 0.00 H new ATOM 0 HE ARG A 96 13.496 -0.294 1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 96 15.259 -1.180 4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.833 -1.190 3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.486 -0.681 0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 96 16.960 -0.910 1.722 1.00 0.00 H new ATOM 220 N THR A 97 10.142 -5.492 1.071 1.00 0.00 N ATOM 221 CA THR A 97 9.817 -6.946 1.002 1.00 0.00 C ATOM 222 C THR A 97 9.869 -7.412 -0.454 1.00 0.00 C ATOM 223 O THR A 97 10.130 -6.640 -1.355 1.00 0.00 O ATOM 224 CB THR A 97 8.414 -7.182 1.567 1.00 0.00 C ATOM 225 OG1 THR A 97 7.523 -6.210 1.039 1.00 0.00 O ATOM 226 CG2 THR A 97 8.451 -7.068 3.092 1.00 0.00 C ATOM 0 H THR A 97 9.478 -4.876 0.603 1.00 0.00 H new ATOM 0 HA THR A 97 10.543 -7.510 1.588 1.00 0.00 H new ATOM 0 HB THR A 97 8.072 -8.178 1.287 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.643 -6.616 0.897 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.452 -7.236 3.494 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.135 -7.814 3.496 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.793 -6.072 3.374 1.00 0.00 H new ATOM 234 N GLU A 98 9.626 -8.673 -0.692 1.00 0.00 N ATOM 235 CA GLU A 98 9.666 -9.189 -2.089 1.00 0.00 C ATOM 236 C GLU A 98 8.264 -9.131 -2.700 1.00 0.00 C ATOM 237 O GLU A 98 8.026 -9.644 -3.776 1.00 0.00 O ATOM 238 CB GLU A 98 10.154 -10.640 -2.081 1.00 0.00 C ATOM 239 CG GLU A 98 11.675 -10.670 -1.912 1.00 0.00 C ATOM 240 CD GLU A 98 12.264 -11.781 -2.783 1.00 0.00 C ATOM 241 OE1 GLU A 98 12.165 -12.931 -2.390 1.00 0.00 O ATOM 242 OE2 GLU A 98 12.802 -11.462 -3.831 1.00 0.00 O ATOM 0 H GLU A 98 9.402 -9.367 0.021 1.00 0.00 H new ATOM 0 HA GLU A 98 10.345 -8.576 -2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.677 -11.190 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.872 -11.134 -3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.102 -9.708 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.932 -10.838 -0.866 1.00 0.00 H new ATOM 249 N ASP A 99 7.332 -8.514 -2.026 1.00 0.00 N ATOM 250 CA ASP A 99 5.949 -8.434 -2.574 1.00 0.00 C ATOM 251 C ASP A 99 5.485 -6.975 -2.614 1.00 0.00 C ATOM 252 O ASP A 99 4.416 -6.670 -3.102 1.00 0.00 O ATOM 253 CB ASP A 99 5.002 -9.244 -1.686 1.00 0.00 C ATOM 254 CG ASP A 99 4.936 -8.608 -0.297 1.00 0.00 C ATOM 255 OD1 ASP A 99 5.723 -7.713 -0.038 1.00 0.00 O ATOM 256 OD2 ASP A 99 4.098 -9.027 0.486 1.00 0.00 O ATOM 0 H ASP A 99 7.468 -8.063 -1.121 1.00 0.00 H new ATOM 0 HA ASP A 99 5.942 -8.840 -3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.007 -9.276 -2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.350 -10.274 -1.610 1.00 0.00 H new ATOM 261 N ASP A 100 6.275 -6.071 -2.102 1.00 0.00 N ATOM 262 CA ASP A 100 5.864 -4.637 -2.111 1.00 0.00 C ATOM 263 C ASP A 100 6.434 -3.941 -3.349 1.00 0.00 C ATOM 264 O ASP A 100 7.187 -4.519 -4.108 1.00 0.00 O ATOM 265 CB ASP A 100 6.393 -3.946 -0.854 1.00 0.00 C ATOM 266 CG ASP A 100 5.230 -3.292 -0.105 1.00 0.00 C ATOM 267 OD1 ASP A 100 4.463 -4.017 0.506 1.00 0.00 O ATOM 268 OD2 ASP A 100 5.128 -2.077 -0.155 1.00 0.00 O ATOM 0 H ASP A 100 7.184 -6.261 -1.679 1.00 0.00 H new ATOM 0 HA ASP A 100 4.776 -4.577 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.893 -4.670 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.135 -3.194 -1.124 1.00 0.00 H new ATOM 273 N LEU A 101 6.079 -2.702 -3.557 1.00 0.00 N ATOM 274 CA LEU A 101 6.596 -1.962 -4.743 1.00 0.00 C ATOM 275 C LEU A 101 7.483 -0.806 -4.276 1.00 0.00 C ATOM 276 O LEU A 101 7.701 -0.614 -3.097 1.00 0.00 O ATOM 277 CB LEU A 101 5.418 -1.407 -5.549 1.00 0.00 C ATOM 278 CG LEU A 101 4.511 -2.558 -5.983 1.00 0.00 C ATOM 279 CD1 LEU A 101 3.045 -2.148 -5.813 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.777 -2.891 -7.453 1.00 0.00 C ATOM 0 H LEU A 101 5.451 -2.169 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 101 7.179 -2.638 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.855 -0.694 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.783 -0.868 -6.423 1.00 0.00 H new ATOM 0 HG LEU A 101 4.718 -3.433 -5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.399 -2.970 -6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.853 -1.910 -4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.838 -1.272 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.130 -3.712 -7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.571 -2.015 -8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.820 -3.184 -7.577 1.00 0.00 H new ATOM 292 N SER A 102 7.994 -0.032 -5.194 1.00 0.00 N ATOM 293 CA SER A 102 8.866 1.114 -4.805 1.00 0.00 C ATOM 294 C SER A 102 8.495 2.343 -5.637 1.00 0.00 C ATOM 295 O SER A 102 8.383 2.273 -6.846 1.00 0.00 O ATOM 296 CB SER A 102 10.330 0.750 -5.059 1.00 0.00 C ATOM 297 OG SER A 102 10.391 -0.339 -5.970 1.00 0.00 O ATOM 0 H SER A 102 7.846 -0.143 -6.197 1.00 0.00 H new ATOM 0 HA SER A 102 8.724 1.335 -3.747 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.865 1.609 -5.464 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.818 0.483 -4.122 1.00 0.00 H new ATOM 0 HG SER A 102 11.328 -0.574 -6.137 1.00 0.00 H new ATOM 303 N PHE A 103 8.302 3.468 -5.004 1.00 0.00 N ATOM 304 CA PHE A 103 7.937 4.695 -5.768 1.00 0.00 C ATOM 305 C PHE A 103 8.102 5.930 -4.881 1.00 0.00 C ATOM 306 O PHE A 103 8.602 5.855 -3.776 1.00 0.00 O ATOM 307 CB PHE A 103 6.483 4.593 -6.230 1.00 0.00 C ATOM 308 CG PHE A 103 5.584 4.342 -5.042 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.160 5.413 -4.243 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.168 3.039 -4.742 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.322 5.179 -3.146 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.329 2.807 -3.646 1.00 0.00 C ATOM 313 CZ PHE A 103 3.906 3.875 -2.847 1.00 0.00 C ATOM 0 H PHE A 103 8.381 3.591 -3.994 1.00 0.00 H new ATOM 0 HA PHE A 103 8.593 4.785 -6.634 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.187 5.513 -6.734 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.378 3.785 -6.954 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.480 6.418 -4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.495 2.213 -5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.996 6.004 -2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.007 1.802 -3.417 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.260 3.694 -2.001 1.00 0.00 H new ATOM 323 N HIS A 104 7.681 7.069 -5.362 1.00 0.00 N ATOM 324 CA HIS A 104 7.809 8.315 -4.554 1.00 0.00 C ATOM 325 C HIS A 104 6.467 9.050 -4.536 1.00 0.00 C ATOM 326 O HIS A 104 5.667 8.926 -5.444 1.00 0.00 O ATOM 327 CB HIS A 104 8.875 9.219 -5.175 1.00 0.00 C ATOM 328 CG HIS A 104 8.539 9.472 -6.619 1.00 0.00 C ATOM 329 ND1 HIS A 104 9.314 8.977 -7.656 1.00 0.00 N ATOM 330 CD2 HIS A 104 7.515 10.165 -7.215 1.00 0.00 C ATOM 331 CE1 HIS A 104 8.748 9.374 -8.811 1.00 0.00 C ATOM 332 NE2 HIS A 104 7.649 10.102 -8.599 1.00 0.00 N ATOM 0 H HIS A 104 7.254 7.190 -6.280 1.00 0.00 H new ATOM 0 HA HIS A 104 8.098 8.059 -3.535 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.928 10.163 -4.632 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.856 8.750 -5.096 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.725 10.681 -6.690 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.136 9.133 -9.790 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.039 10.522 -9.300 1.00 0.00 H new ATOM 340 N LYS A 105 6.213 9.813 -3.510 1.00 0.00 N ATOM 341 CA LYS A 105 4.923 10.553 -3.432 1.00 0.00 C ATOM 342 C LYS A 105 4.736 11.394 -4.696 1.00 0.00 C ATOM 343 O LYS A 105 5.577 12.198 -5.049 1.00 0.00 O ATOM 344 CB LYS A 105 4.933 11.468 -2.205 1.00 0.00 C ATOM 345 CG LYS A 105 5.896 12.634 -2.442 1.00 0.00 C ATOM 346 CD LYS A 105 6.273 13.265 -1.100 1.00 0.00 C ATOM 347 CE LYS A 105 5.787 14.716 -1.061 1.00 0.00 C ATOM 348 NZ LYS A 105 6.458 15.435 0.058 1.00 0.00 N ATOM 0 H LYS A 105 6.844 9.956 -2.721 1.00 0.00 H new ATOM 0 HA LYS A 105 4.102 9.841 -3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.929 11.846 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.237 10.906 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.791 12.282 -2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.431 13.378 -3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.827 12.699 -0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.353 13.229 -0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.006 15.210 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.705 14.745 -0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.128 16.421 0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.227 14.968 0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.488 15.419 -0.087 1.00 0.00 H new ATOM 362 N GLY A 106 3.640 11.215 -5.382 1.00 0.00 N ATOM 363 CA GLY A 106 3.400 12.003 -6.623 1.00 0.00 C ATOM 364 C GLY A 106 3.094 11.052 -7.781 1.00 0.00 C ATOM 365 O GLY A 106 2.547 11.445 -8.792 1.00 0.00 O ATOM 0 H GLY A 106 2.901 10.557 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.568 12.691 -6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.276 12.608 -6.857 1.00 0.00 H new ATOM 369 N GLU A 107 3.448 9.802 -7.643 1.00 0.00 N ATOM 370 CA GLU A 107 3.180 8.828 -8.739 1.00 0.00 C ATOM 371 C GLU A 107 1.734 8.333 -8.649 1.00 0.00 C ATOM 372 O GLU A 107 1.248 7.992 -7.589 1.00 0.00 O ATOM 373 CB GLU A 107 4.135 7.639 -8.606 1.00 0.00 C ATOM 374 CG GLU A 107 5.266 7.776 -9.626 1.00 0.00 C ATOM 375 CD GLU A 107 5.702 6.387 -10.097 1.00 0.00 C ATOM 376 OE1 GLU A 107 4.924 5.459 -9.944 1.00 0.00 O ATOM 377 OE2 GLU A 107 6.807 6.274 -10.602 1.00 0.00 O ATOM 0 H GLU A 107 3.910 9.415 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 107 3.334 9.316 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.544 7.599 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.596 6.706 -8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.933 8.372 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.110 8.302 -9.180 1.00 0.00 H new ATOM 384 N LYS A 108 1.044 8.290 -9.757 1.00 0.00 N ATOM 385 CA LYS A 108 -0.369 7.814 -9.740 1.00 0.00 C ATOM 386 C LYS A 108 -0.387 6.283 -9.725 1.00 0.00 C ATOM 387 O LYS A 108 0.378 5.638 -10.414 1.00 0.00 O ATOM 388 CB LYS A 108 -1.091 8.321 -10.991 1.00 0.00 C ATOM 389 CG LYS A 108 -0.792 9.808 -11.191 1.00 0.00 C ATOM 390 CD LYS A 108 -1.530 10.627 -10.129 1.00 0.00 C ATOM 391 CE LYS A 108 -2.214 11.824 -10.789 1.00 0.00 C ATOM 392 NZ LYS A 108 -2.249 12.967 -9.832 1.00 0.00 N ATOM 0 H LYS A 108 1.398 8.564 -10.673 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.873 8.193 -8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.768 7.754 -11.864 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.165 8.166 -10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.281 9.986 -11.121 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.103 10.121 -12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.270 10.005 -9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.829 10.970 -9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.677 12.110 -11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.227 11.557 -11.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -2.714 13.782 -10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.779 12.691 -8.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.278 13.227 -9.566 1.00 0.00 H new ATOM 406 N PHE A 109 -1.254 5.695 -8.945 1.00 0.00 N ATOM 407 CA PHE A 109 -1.314 4.206 -8.888 1.00 0.00 C ATOM 408 C PHE A 109 -2.734 3.733 -9.202 1.00 0.00 C ATOM 409 O PHE A 109 -3.690 4.467 -9.056 1.00 0.00 O ATOM 410 CB PHE A 109 -0.925 3.735 -7.485 1.00 0.00 C ATOM 411 CG PHE A 109 0.575 3.756 -7.348 1.00 0.00 C ATOM 412 CD1 PHE A 109 1.240 4.965 -7.107 1.00 0.00 C ATOM 413 CD2 PHE A 109 1.303 2.566 -7.462 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.632 4.983 -6.981 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.697 2.586 -7.336 1.00 0.00 C ATOM 416 CZ PHE A 109 3.361 3.794 -7.096 1.00 0.00 C ATOM 0 H PHE A 109 -1.922 6.180 -8.346 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.623 3.790 -9.622 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.379 4.381 -6.734 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.303 2.728 -7.310 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.678 5.883 -7.019 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.790 1.634 -7.647 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.145 5.915 -6.795 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.260 1.669 -7.424 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.437 3.809 -6.999 1.00 0.00 H new ATOM 426 N GLN A 110 -2.880 2.507 -9.631 1.00 0.00 N ATOM 427 CA GLN A 110 -4.241 1.988 -9.951 1.00 0.00 C ATOM 428 C GLN A 110 -4.588 0.847 -8.989 1.00 0.00 C ATOM 429 O GLN A 110 -4.093 -0.255 -9.117 1.00 0.00 O ATOM 430 CB GLN A 110 -4.271 1.467 -11.390 1.00 0.00 C ATOM 431 CG GLN A 110 -3.352 2.320 -12.270 1.00 0.00 C ATOM 432 CD GLN A 110 -4.121 2.793 -13.505 1.00 0.00 C ATOM 433 OE1 GLN A 110 -4.775 3.817 -13.472 1.00 0.00 O ATOM 434 NE2 GLN A 110 -4.072 2.086 -14.600 1.00 0.00 N ATOM 0 H GLN A 110 -2.117 1.845 -9.773 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.969 2.793 -9.844 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.951 0.425 -11.416 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.290 1.497 -11.776 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.985 3.178 -11.706 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.480 1.740 -12.572 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -3.523 1.227 -14.628 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -4.582 2.393 -15.428 1.00 0.00 H new ATOM 443 N ILE A 111 -5.436 1.101 -8.030 1.00 0.00 N ATOM 444 CA ILE A 111 -5.811 0.027 -7.065 1.00 0.00 C ATOM 445 C ILE A 111 -6.850 -0.896 -7.708 1.00 0.00 C ATOM 446 O ILE A 111 -7.922 -0.470 -8.087 1.00 0.00 O ATOM 447 CB ILE A 111 -6.406 0.652 -5.801 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.550 1.844 -5.365 1.00 0.00 C ATOM 449 CG2 ILE A 111 -6.431 -0.390 -4.681 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.125 1.371 -5.071 1.00 0.00 C ATOM 0 H ILE A 111 -5.885 2.003 -7.873 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.922 -0.546 -6.802 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.421 0.991 -6.009 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.538 2.602 -6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.980 2.309 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.855 0.054 -3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.041 -1.240 -4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.415 -0.728 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.516 2.220 -4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.145 0.629 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.697 0.927 -5.969 1.00 0.00 H new ATOM 462 N LEU A 112 -6.541 -2.159 -7.831 1.00 0.00 N ATOM 463 CA LEU A 112 -7.513 -3.106 -8.445 1.00 0.00 C ATOM 464 C LEU A 112 -8.033 -4.067 -7.375 1.00 0.00 C ATOM 465 O LEU A 112 -9.059 -4.696 -7.537 1.00 0.00 O ATOM 466 CB LEU A 112 -6.820 -3.904 -9.552 1.00 0.00 C ATOM 467 CG LEU A 112 -5.679 -4.724 -8.946 1.00 0.00 C ATOM 468 CD1 LEU A 112 -5.755 -6.163 -9.461 1.00 0.00 C ATOM 469 CD2 LEU A 112 -4.339 -4.107 -9.352 1.00 0.00 C ATOM 0 H LEU A 112 -5.658 -2.574 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.347 -2.546 -8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.536 -4.563 -10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.433 -3.229 -10.315 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.767 -4.723 -7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.942 -6.747 -9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.710 -6.602 -9.174 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.667 -6.166 -10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.525 -4.690 -8.921 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.252 -4.109 -10.438 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.285 -3.082 -8.986 1.00 0.00 H new ATOM 481 N ASN A 113 -7.333 -4.184 -6.280 1.00 0.00 N ATOM 482 CA ASN A 113 -7.787 -5.102 -5.198 1.00 0.00 C ATOM 483 C ASN A 113 -7.563 -4.436 -3.838 1.00 0.00 C ATOM 484 O ASN A 113 -6.463 -4.407 -3.323 1.00 0.00 O ATOM 485 CB ASN A 113 -6.988 -6.406 -5.267 1.00 0.00 C ATOM 486 CG ASN A 113 -7.922 -7.559 -5.637 1.00 0.00 C ATOM 487 OD1 ASN A 113 -9.039 -7.628 -5.162 1.00 0.00 O ATOM 488 ND2 ASN A 113 -7.511 -8.475 -6.472 1.00 0.00 N ATOM 0 H ASN A 113 -6.466 -3.683 -6.088 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.847 -5.319 -5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -6.192 -6.318 -6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -6.512 -6.604 -4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -8.127 -9.248 -6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -6.574 -8.418 -6.871 1.00 0.00 H new ATOM 495 N SER A 114 -8.600 -3.899 -3.253 1.00 0.00 N ATOM 496 CA SER A 114 -8.446 -3.234 -1.929 1.00 0.00 C ATOM 497 C SER A 114 -9.277 -3.979 -0.882 1.00 0.00 C ATOM 498 O SER A 114 -10.282 -3.486 -0.409 1.00 0.00 O ATOM 499 CB SER A 114 -8.930 -1.787 -2.027 1.00 0.00 C ATOM 500 OG SER A 114 -9.561 -1.587 -3.284 1.00 0.00 O ATOM 0 H SER A 114 -9.546 -3.893 -3.635 1.00 0.00 H new ATOM 0 HA SER A 114 -7.396 -3.248 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.628 -1.569 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.089 -1.102 -1.916 1.00 0.00 H new ATOM 0 HG SER A 114 -9.874 -0.661 -3.349 1.00 0.00 H new ATOM 506 N SER A 115 -8.866 -5.161 -0.515 1.00 0.00 N ATOM 507 CA SER A 115 -9.632 -5.933 0.502 1.00 0.00 C ATOM 508 C SER A 115 -9.121 -5.579 1.898 1.00 0.00 C ATOM 509 O SER A 115 -9.702 -4.773 2.597 1.00 0.00 O ATOM 510 CB SER A 115 -9.443 -7.430 0.256 1.00 0.00 C ATOM 511 OG SER A 115 -10.602 -7.949 -0.383 1.00 0.00 O ATOM 0 H SER A 115 -8.033 -5.625 -0.876 1.00 0.00 H new ATOM 0 HA SER A 115 -10.690 -5.684 0.426 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.564 -7.600 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 115 -9.271 -7.947 1.200 1.00 0.00 H new ATOM 0 HG SER A 115 -10.485 -8.908 -0.544 1.00 0.00 H new ATOM 517 N GLU A 116 -8.037 -6.174 2.307 1.00 0.00 N ATOM 518 CA GLU A 116 -7.485 -5.871 3.657 1.00 0.00 C ATOM 519 C GLU A 116 -7.274 -4.361 3.793 1.00 0.00 C ATOM 520 O GLU A 116 -6.951 -3.682 2.838 1.00 0.00 O ATOM 521 CB GLU A 116 -6.145 -6.590 3.833 1.00 0.00 C ATOM 522 CG GLU A 116 -6.370 -8.103 3.818 1.00 0.00 C ATOM 523 CD GLU A 116 -5.472 -8.742 2.757 1.00 0.00 C ATOM 524 OE1 GLU A 116 -4.344 -8.300 2.620 1.00 0.00 O ATOM 525 OE2 GLU A 116 -5.929 -9.663 2.100 1.00 0.00 O ATOM 0 H GLU A 116 -7.508 -6.858 1.765 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.184 -6.212 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.460 -6.306 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.680 -6.290 4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.148 -8.524 4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.416 -8.324 3.605 1.00 0.00 H new ATOM 532 N GLY A 117 -7.450 -3.831 4.971 1.00 0.00 N ATOM 533 CA GLY A 117 -7.257 -2.367 5.163 1.00 0.00 C ATOM 534 C GLY A 117 -5.808 -2.092 5.566 1.00 0.00 C ATOM 535 O GLY A 117 -5.539 -1.301 6.448 1.00 0.00 O ATOM 0 H GLY A 117 -7.719 -4.348 5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -7.497 -1.834 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -7.936 -1.998 5.932 1.00 0.00 H new ATOM 539 N ASP A 118 -4.870 -2.741 4.930 1.00 0.00 N ATOM 540 CA ASP A 118 -3.440 -2.514 5.282 1.00 0.00 C ATOM 541 C ASP A 118 -2.594 -2.484 4.008 1.00 0.00 C ATOM 542 O ASP A 118 -1.876 -1.538 3.752 1.00 0.00 O ATOM 543 CB ASP A 118 -2.952 -3.644 6.190 1.00 0.00 C ATOM 544 CG ASP A 118 -3.505 -3.442 7.601 1.00 0.00 C ATOM 545 OD1 ASP A 118 -3.062 -2.517 8.263 1.00 0.00 O ATOM 546 OD2 ASP A 118 -4.362 -4.214 7.998 1.00 0.00 O ATOM 0 H ASP A 118 -5.032 -3.417 4.184 1.00 0.00 H new ATOM 0 HA ASP A 118 -3.344 -1.561 5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.276 -4.607 5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.862 -3.660 6.214 1.00 0.00 H new ATOM 551 N TRP A 119 -2.664 -3.514 3.210 1.00 0.00 N ATOM 552 CA TRP A 119 -1.855 -3.540 1.958 1.00 0.00 C ATOM 553 C TRP A 119 -2.778 -3.682 0.746 1.00 0.00 C ATOM 554 O TRP A 119 -3.461 -4.675 0.586 1.00 0.00 O ATOM 555 CB TRP A 119 -0.888 -4.723 2.006 1.00 0.00 C ATOM 556 CG TRP A 119 0.103 -4.510 3.105 1.00 0.00 C ATOM 557 CD1 TRP A 119 -0.038 -4.955 4.375 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.377 -3.805 3.058 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.069 -4.570 5.109 1.00 0.00 N ATOM 560 CE2 TRP A 119 1.970 -3.859 4.342 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.070 -3.132 2.036 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.206 -3.267 4.603 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.315 -2.534 2.296 1.00 0.00 C ATOM 564 CH2 TRP A 119 3.881 -2.602 3.577 1.00 0.00 C ATOM 0 H TRP A 119 -3.245 -4.337 3.370 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.293 -2.610 1.871 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -1.438 -5.650 2.172 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -0.372 -4.824 1.051 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.878 -5.519 4.754 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.203 -4.785 6.097 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.643 -3.074 1.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.638 -3.323 5.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.839 -2.019 1.504 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.838 -2.141 3.770 1.00 0.00 H new ATOM 575 N TRP A 120 -2.801 -2.699 -0.111 1.00 0.00 N ATOM 576 CA TRP A 120 -3.675 -2.776 -1.316 1.00 0.00 C ATOM 577 C TRP A 120 -2.831 -3.184 -2.526 1.00 0.00 C ATOM 578 O TRP A 120 -1.636 -2.969 -2.562 1.00 0.00 O ATOM 579 CB TRP A 120 -4.301 -1.405 -1.584 1.00 0.00 C ATOM 580 CG TRP A 120 -5.483 -1.202 -0.691 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.935 -2.093 0.221 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.370 -0.049 -0.612 1.00 0.00 C ATOM 583 NE1 TRP A 120 -7.042 -1.558 0.856 1.00 0.00 N ATOM 584 CE2 TRP A 120 -7.349 -0.299 0.377 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.417 1.179 -1.297 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -8.341 0.635 0.677 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -7.414 2.121 -0.999 1.00 0.00 C ATOM 588 CH2 TRP A 120 -8.375 1.850 -0.014 1.00 0.00 C ATOM 0 H TRP A 120 -2.251 -1.844 -0.029 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.462 -3.511 -1.146 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.565 -0.620 -1.412 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.606 -1.333 -2.628 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.503 -3.062 0.421 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -7.567 -2.035 1.589 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.681 1.398 -2.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -9.077 0.421 1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -7.441 3.060 -1.531 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -9.140 2.579 0.210 1.00 0.00 H new ATOM 599 N GLU A 121 -3.444 -3.762 -3.521 1.00 0.00 N ATOM 600 CA GLU A 121 -2.676 -4.172 -4.732 1.00 0.00 C ATOM 601 C GLU A 121 -2.860 -3.112 -5.818 1.00 0.00 C ATOM 602 O GLU A 121 -3.947 -2.913 -6.326 1.00 0.00 O ATOM 603 CB GLU A 121 -3.194 -5.521 -5.244 1.00 0.00 C ATOM 604 CG GLU A 121 -3.757 -6.337 -4.076 1.00 0.00 C ATOM 605 CD GLU A 121 -4.034 -7.768 -4.542 1.00 0.00 C ATOM 606 OE1 GLU A 121 -3.551 -8.128 -5.603 1.00 0.00 O ATOM 607 OE2 GLU A 121 -4.724 -8.477 -3.830 1.00 0.00 O ATOM 0 H GLU A 121 -4.442 -3.969 -3.549 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.620 -4.268 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.968 -5.363 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.387 -6.071 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.049 -6.343 -3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.675 -5.879 -3.707 1.00 0.00 H new ATOM 614 N ALA A 122 -1.812 -2.423 -6.175 1.00 0.00 N ATOM 615 CA ALA A 122 -1.939 -1.372 -7.222 1.00 0.00 C ATOM 616 C ALA A 122 -0.886 -1.594 -8.308 1.00 0.00 C ATOM 617 O ALA A 122 0.132 -2.218 -8.084 1.00 0.00 O ATOM 618 CB ALA A 122 -1.732 0.006 -6.591 1.00 0.00 C ATOM 0 H ALA A 122 -0.876 -2.542 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.933 -1.426 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.825 0.775 -7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.485 0.170 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.739 0.057 -6.145 1.00 0.00 H new ATOM 624 N ARG A 123 -1.124 -1.081 -9.484 1.00 0.00 N ATOM 625 CA ARG A 123 -0.140 -1.254 -10.586 1.00 0.00 C ATOM 626 C ARG A 123 0.462 0.106 -10.943 1.00 0.00 C ATOM 627 O ARG A 123 -0.191 1.129 -10.849 1.00 0.00 O ATOM 628 CB ARG A 123 -0.841 -1.842 -11.813 1.00 0.00 C ATOM 629 CG ARG A 123 -1.989 -0.923 -12.239 1.00 0.00 C ATOM 630 CD ARG A 123 -3.246 -1.758 -12.489 1.00 0.00 C ATOM 631 NE ARG A 123 -3.664 -1.614 -13.912 1.00 0.00 N ATOM 632 CZ ARG A 123 -3.137 -2.380 -14.828 1.00 0.00 C ATOM 633 NH1 ARG A 123 -3.281 -3.675 -14.757 1.00 0.00 N ATOM 634 NH2 ARG A 123 -2.470 -1.852 -15.817 1.00 0.00 N ATOM 0 H ARG A 123 -1.959 -0.549 -9.728 1.00 0.00 H new ATOM 0 HA ARG A 123 0.651 -1.931 -10.265 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -0.130 -1.955 -12.631 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.224 -2.836 -11.584 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -2.181 -0.181 -11.464 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -1.716 -0.378 -13.143 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -3.051 -2.806 -12.261 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -4.049 -1.432 -11.828 1.00 0.00 H new ATOM 0 HE ARG A 123 -4.362 -0.917 -14.170 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -3.805 -4.088 -13.986 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -2.869 -4.274 -15.473 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -2.360 -0.840 -15.875 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -2.059 -2.452 -16.532 1.00 0.00 H new ATOM 648 N SER A 124 1.702 0.126 -11.351 1.00 0.00 N ATOM 649 CA SER A 124 2.348 1.419 -11.714 1.00 0.00 C ATOM 650 C SER A 124 1.960 1.794 -13.145 1.00 0.00 C ATOM 651 O SER A 124 2.165 1.038 -14.073 1.00 0.00 O ATOM 652 CB SER A 124 3.869 1.275 -11.618 1.00 0.00 C ATOM 653 OG SER A 124 4.234 1.036 -10.265 1.00 0.00 O ATOM 0 H SER A 124 2.296 -0.698 -11.449 1.00 0.00 H new ATOM 0 HA SER A 124 2.015 2.199 -11.029 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.209 0.453 -12.249 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.355 2.179 -11.983 1.00 0.00 H new ATOM 0 HG SER A 124 3.649 1.552 -9.672 1.00 0.00 H new ATOM 659 N LEU A 125 1.399 2.957 -13.331 1.00 0.00 N ATOM 660 CA LEU A 125 0.996 3.379 -14.702 1.00 0.00 C ATOM 661 C LEU A 125 2.242 3.701 -15.529 1.00 0.00 C ATOM 662 O LEU A 125 2.227 3.639 -16.742 1.00 0.00 O ATOM 663 CB LEU A 125 0.109 4.621 -14.612 1.00 0.00 C ATOM 664 CG LEU A 125 -1.331 4.198 -14.320 1.00 0.00 C ATOM 665 CD1 LEU A 125 -2.106 5.385 -13.748 1.00 0.00 C ATOM 666 CD2 LEU A 125 -1.994 3.729 -15.617 1.00 0.00 C ATOM 0 H LEU A 125 1.202 3.633 -12.593 1.00 0.00 H new ATOM 0 HA LEU A 125 0.444 2.570 -15.181 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.471 5.284 -13.826 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.153 5.181 -15.546 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.333 3.384 -13.595 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.132 5.083 -13.540 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.632 5.718 -12.825 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.107 6.201 -14.471 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -3.021 3.427 -15.412 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.993 4.544 -16.341 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.441 2.882 -16.023 1.00 0.00 H new ATOM 678 N THR A 126 3.322 4.047 -14.884 1.00 0.00 N ATOM 679 CA THR A 126 4.565 4.374 -15.638 1.00 0.00 C ATOM 680 C THR A 126 5.244 3.079 -16.088 1.00 0.00 C ATOM 681 O THR A 126 5.562 2.904 -17.247 1.00 0.00 O ATOM 682 CB THR A 126 5.516 5.164 -14.736 1.00 0.00 C ATOM 683 OG1 THR A 126 5.003 6.475 -14.542 1.00 0.00 O ATOM 684 CG2 THR A 126 6.895 5.248 -15.394 1.00 0.00 C ATOM 0 H THR A 126 3.398 4.117 -13.869 1.00 0.00 H new ATOM 0 HA THR A 126 4.313 4.974 -16.512 1.00 0.00 H new ATOM 0 HB THR A 126 5.605 4.661 -13.773 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.610 6.982 -13.963 1.00 0.00 H new ATOM 0 HG21 THR A 126 7.571 5.811 -14.751 1.00 0.00 H new ATOM 0 HG22 THR A 126 7.289 4.243 -15.543 1.00 0.00 H new ATOM 0 HG23 THR A 126 6.808 5.750 -16.357 1.00 0.00 H new ATOM 692 N THR A 127 5.472 2.170 -15.179 1.00 0.00 N ATOM 693 CA THR A 127 6.131 0.888 -15.556 1.00 0.00 C ATOM 694 C THR A 127 5.073 -0.108 -16.035 1.00 0.00 C ATOM 695 O THR A 127 5.072 -0.523 -17.177 1.00 0.00 O ATOM 696 CB THR A 127 6.861 0.313 -14.339 1.00 0.00 C ATOM 697 OG1 THR A 127 6.280 0.832 -13.150 1.00 0.00 O ATOM 698 CG2 THR A 127 8.339 0.701 -14.398 1.00 0.00 C ATOM 0 H THR A 127 5.230 2.260 -14.192 1.00 0.00 H new ATOM 0 HA THR A 127 6.848 1.069 -16.357 1.00 0.00 H new ATOM 0 HB THR A 127 6.772 -0.773 -14.342 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.745 0.463 -12.370 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.858 0.291 -13.531 1.00 0.00 H new ATOM 0 HG22 THR A 127 8.784 0.302 -15.309 1.00 0.00 H new ATOM 0 HG23 THR A 127 8.430 1.787 -14.395 1.00 0.00 H new ATOM 706 N GLY A 128 4.174 -0.496 -15.172 1.00 0.00 N ATOM 707 CA GLY A 128 3.117 -1.465 -15.582 1.00 0.00 C ATOM 708 C GLY A 128 3.128 -2.667 -14.636 1.00 0.00 C ATOM 709 O GLY A 128 2.160 -3.393 -14.529 1.00 0.00 O ATOM 0 H GLY A 128 4.125 -0.185 -14.202 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.140 -0.983 -15.562 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.289 -1.794 -16.607 1.00 0.00 H new ATOM 713 N GLU A 129 4.216 -2.885 -13.950 1.00 0.00 N ATOM 714 CA GLU A 129 4.288 -4.041 -13.014 1.00 0.00 C ATOM 715 C GLU A 129 3.197 -3.905 -11.947 1.00 0.00 C ATOM 716 O GLU A 129 2.591 -2.863 -11.793 1.00 0.00 O ATOM 717 CB GLU A 129 5.662 -4.067 -12.340 1.00 0.00 C ATOM 718 CG GLU A 129 6.619 -4.933 -13.163 1.00 0.00 C ATOM 719 CD GLU A 129 7.835 -5.301 -12.312 1.00 0.00 C ATOM 720 OE1 GLU A 129 8.727 -4.475 -12.203 1.00 0.00 O ATOM 721 OE2 GLU A 129 7.855 -6.401 -11.787 1.00 0.00 O ATOM 0 H GLU A 129 5.058 -2.312 -13.998 1.00 0.00 H new ATOM 0 HA GLU A 129 4.138 -4.967 -13.569 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.055 -3.054 -12.253 1.00 0.00 H new ATOM 0 HB3 GLU A 129 5.575 -4.463 -11.328 1.00 0.00 H new ATOM 0 HG2 GLU A 129 6.110 -5.837 -13.499 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.936 -4.395 -14.056 1.00 0.00 H new ATOM 728 N THR A 130 2.944 -4.953 -11.210 1.00 0.00 N ATOM 729 CA THR A 130 1.895 -4.886 -10.154 1.00 0.00 C ATOM 730 C THR A 130 2.481 -5.367 -8.825 1.00 0.00 C ATOM 731 O THR A 130 3.233 -6.321 -8.777 1.00 0.00 O ATOM 732 CB THR A 130 0.718 -5.785 -10.544 1.00 0.00 C ATOM 733 OG1 THR A 130 0.411 -5.592 -11.918 1.00 0.00 O ATOM 734 CG2 THR A 130 -0.500 -5.430 -9.691 1.00 0.00 C ATOM 0 H THR A 130 3.419 -5.852 -11.294 1.00 0.00 H new ATOM 0 HA THR A 130 1.549 -3.858 -10.051 1.00 0.00 H new ATOM 0 HB THR A 130 0.985 -6.828 -10.375 1.00 0.00 H new ATOM 0 HG1 THR A 130 -0.341 -6.168 -12.169 1.00 0.00 H new ATOM 0 HG21 THR A 130 -1.338 -6.070 -9.969 1.00 0.00 H new ATOM 0 HG22 THR A 130 -0.263 -5.580 -8.638 1.00 0.00 H new ATOM 0 HG23 THR A 130 -0.769 -4.387 -9.858 1.00 0.00 H new ATOM 742 N GLY A 131 2.143 -4.718 -7.746 1.00 0.00 N ATOM 743 CA GLY A 131 2.682 -5.144 -6.424 1.00 0.00 C ATOM 744 C GLY A 131 1.729 -4.703 -5.313 1.00 0.00 C ATOM 745 O GLY A 131 0.594 -4.343 -5.561 1.00 0.00 O ATOM 0 H GLY A 131 1.518 -3.912 -7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.805 -6.227 -6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.668 -4.708 -6.265 1.00 0.00 H new ATOM 749 N TYR A 132 2.178 -4.736 -4.088 1.00 0.00 N ATOM 750 CA TYR A 132 1.292 -4.331 -2.961 1.00 0.00 C ATOM 751 C TYR A 132 1.817 -3.044 -2.315 1.00 0.00 C ATOM 752 O TYR A 132 2.878 -3.023 -1.724 1.00 0.00 O ATOM 753 CB TYR A 132 1.268 -5.446 -1.915 1.00 0.00 C ATOM 754 CG TYR A 132 0.605 -6.671 -2.496 1.00 0.00 C ATOM 755 CD1 TYR A 132 1.199 -7.351 -3.566 1.00 0.00 C ATOM 756 CD2 TYR A 132 -0.605 -7.131 -1.962 1.00 0.00 C ATOM 757 CE1 TYR A 132 0.583 -8.489 -4.101 1.00 0.00 C ATOM 758 CE2 TYR A 132 -1.220 -8.268 -2.496 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.626 -8.948 -3.566 1.00 0.00 C ATOM 760 OH TYR A 132 -1.232 -10.069 -4.093 1.00 0.00 O ATOM 0 H TYR A 132 3.119 -5.025 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 132 0.286 -4.155 -3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.284 -5.685 -1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.729 -5.114 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 132 2.132 -6.998 -3.979 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -1.064 -6.607 -1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.041 -9.013 -4.927 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -2.153 -8.621 -2.083 1.00 0.00 H new ATOM 0 HH TYR A 132 -2.062 -10.252 -3.606 1.00 0.00 H new ATOM 770 N ILE A 133 1.073 -1.975 -2.410 1.00 0.00 N ATOM 771 CA ILE A 133 1.517 -0.695 -1.786 1.00 0.00 C ATOM 772 C ILE A 133 0.635 -0.412 -0.567 1.00 0.00 C ATOM 773 O ILE A 133 -0.494 -0.859 -0.508 1.00 0.00 O ATOM 774 CB ILE A 133 1.382 0.452 -2.792 1.00 0.00 C ATOM 775 CG1 ILE A 133 -0.072 0.562 -3.255 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.280 0.183 -4.000 1.00 0.00 C ATOM 777 CD1 ILE A 133 -0.726 1.782 -2.604 1.00 0.00 C ATOM 0 H ILE A 133 0.176 -1.933 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 133 2.561 -0.777 -1.483 1.00 0.00 H new ATOM 0 HB ILE A 133 1.683 1.385 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -0.113 0.651 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.619 -0.342 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.183 1.000 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.317 0.109 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 133 1.981 -0.752 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.762 1.859 -2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -0.698 1.674 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -0.185 2.683 -2.893 1.00 0.00 H new ATOM 789 N PRO A 134 1.175 0.318 0.373 1.00 0.00 N ATOM 790 CA PRO A 134 0.446 0.666 1.603 1.00 0.00 C ATOM 791 C PRO A 134 -0.823 1.451 1.260 1.00 0.00 C ATOM 792 O PRO A 134 -0.777 2.462 0.589 1.00 0.00 O ATOM 793 CB PRO A 134 1.426 1.532 2.408 1.00 0.00 C ATOM 794 CG PRO A 134 2.733 1.656 1.583 1.00 0.00 C ATOM 795 CD PRO A 134 2.543 0.856 0.284 1.00 0.00 C ATOM 0 HA PRO A 134 0.127 -0.213 2.163 1.00 0.00 H new ATOM 0 HB2 PRO A 134 0.999 2.517 2.598 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.628 1.079 3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 134 2.947 2.701 1.361 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.581 1.270 2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.662 1.492 -0.593 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.279 0.056 0.200 1.00 0.00 H new ATOM 803 N SER A 135 -1.958 0.990 1.713 1.00 0.00 N ATOM 804 CA SER A 135 -3.228 1.706 1.410 1.00 0.00 C ATOM 805 C SER A 135 -3.210 3.079 2.084 1.00 0.00 C ATOM 806 O SER A 135 -3.691 4.055 1.542 1.00 0.00 O ATOM 807 CB SER A 135 -4.412 0.893 1.937 1.00 0.00 C ATOM 808 OG SER A 135 -4.181 0.557 3.298 1.00 0.00 O ATOM 0 H SER A 135 -2.059 0.148 2.280 1.00 0.00 H new ATOM 0 HA SER A 135 -3.327 1.831 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.333 1.468 1.844 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.540 -0.012 1.343 1.00 0.00 H new ATOM 0 HG SER A 135 -4.938 0.037 3.640 1.00 0.00 H new ATOM 814 N ASN A 136 -2.658 3.164 3.263 1.00 0.00 N ATOM 815 CA ASN A 136 -2.608 4.474 3.971 1.00 0.00 C ATOM 816 C ASN A 136 -1.546 5.368 3.322 1.00 0.00 C ATOM 817 O ASN A 136 -1.354 6.502 3.711 1.00 0.00 O ATOM 818 CB ASN A 136 -2.255 4.244 5.441 1.00 0.00 C ATOM 819 CG ASN A 136 -3.257 4.983 6.330 1.00 0.00 C ATOM 820 OD1 ASN A 136 -3.195 6.189 6.465 1.00 0.00 O ATOM 821 ND2 ASN A 136 -4.188 4.306 6.946 1.00 0.00 N ATOM 0 H ASN A 136 -2.239 2.382 3.767 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.581 4.961 3.903 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -2.270 3.178 5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -1.244 4.598 5.643 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -4.862 4.789 7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -4.241 3.294 6.834 1.00 0.00 H new ATOM 828 N TYR A 137 -0.853 4.864 2.336 1.00 0.00 N ATOM 829 CA TYR A 137 0.196 5.682 1.664 1.00 0.00 C ATOM 830 C TYR A 137 -0.359 6.264 0.362 1.00 0.00 C ATOM 831 O TYR A 137 0.344 6.910 -0.388 1.00 0.00 O ATOM 832 CB TYR A 137 1.405 4.799 1.347 1.00 0.00 C ATOM 833 CG TYR A 137 2.399 4.876 2.480 1.00 0.00 C ATOM 834 CD1 TYR A 137 1.950 4.913 3.806 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.771 4.911 2.205 1.00 0.00 C ATOM 836 CE1 TYR A 137 2.873 4.986 4.856 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.694 4.983 3.255 1.00 0.00 C ATOM 838 CZ TYR A 137 4.245 5.021 4.581 1.00 0.00 C ATOM 839 OH TYR A 137 5.155 5.093 5.616 1.00 0.00 O ATOM 0 H TYR A 137 -0.969 3.920 1.967 1.00 0.00 H new ATOM 0 HA TYR A 137 0.497 6.494 2.325 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.086 3.767 1.199 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.872 5.124 0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 137 0.891 4.885 4.019 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.118 4.882 1.183 1.00 0.00 H new ATOM 0 HE1 TYR A 137 2.526 5.015 5.878 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.753 5.009 3.042 1.00 0.00 H new ATOM 0 HH TYR A 137 6.065 5.108 5.251 1.00 0.00 H new ATOM 849 N VAL A 138 -1.614 6.039 0.082 1.00 0.00 N ATOM 850 CA VAL A 138 -2.205 6.579 -1.174 1.00 0.00 C ATOM 851 C VAL A 138 -3.458 7.393 -0.844 1.00 0.00 C ATOM 852 O VAL A 138 -3.984 7.325 0.249 1.00 0.00 O ATOM 853 CB VAL A 138 -2.584 5.420 -2.097 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.323 4.847 -2.747 1.00 0.00 C ATOM 855 CG2 VAL A 138 -3.277 4.326 -1.281 1.00 0.00 C ATOM 0 H VAL A 138 -2.255 5.505 0.669 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.476 7.220 -1.670 1.00 0.00 H new ATOM 0 HB VAL A 138 -3.259 5.781 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.596 4.021 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.828 5.625 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.646 4.486 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.548 3.499 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.601 3.967 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -4.177 4.732 -0.818 1.00 0.00 H new ATOM 865 N ALA A 139 -3.944 8.160 -1.782 1.00 0.00 N ATOM 866 CA ALA A 139 -5.165 8.974 -1.523 1.00 0.00 C ATOM 867 C ALA A 139 -5.991 9.063 -2.814 1.00 0.00 C ATOM 868 O ALA A 139 -5.445 9.294 -3.875 1.00 0.00 O ATOM 869 CB ALA A 139 -4.756 10.380 -1.077 1.00 0.00 C ATOM 0 H ALA A 139 -3.548 8.258 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.760 8.507 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.649 10.976 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.163 10.314 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.164 10.853 -1.861 1.00 0.00 H new ATOM 875 N PRO A 140 -7.283 8.871 -2.688 1.00 0.00 N ATOM 876 CA PRO A 140 -8.197 8.920 -3.845 1.00 0.00 C ATOM 877 C PRO A 140 -8.162 10.308 -4.492 1.00 0.00 C ATOM 878 O PRO A 140 -8.205 11.320 -3.820 1.00 0.00 O ATOM 879 CB PRO A 140 -9.587 8.632 -3.260 1.00 0.00 C ATOM 880 CG PRO A 140 -9.422 8.421 -1.733 1.00 0.00 C ATOM 881 CD PRO A 140 -7.933 8.592 -1.396 1.00 0.00 C ATOM 0 HA PRO A 140 -7.923 8.205 -4.620 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.265 9.461 -3.460 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.021 7.746 -3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.024 9.142 -1.180 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -9.768 7.428 -1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -7.779 9.409 -0.691 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.526 7.692 -0.935 1.00 0.00 H new ATOM 889 N VAL A 141 -8.084 10.362 -5.795 1.00 0.00 N ATOM 890 CA VAL A 141 -8.046 11.682 -6.488 1.00 0.00 C ATOM 891 C VAL A 141 -9.462 12.254 -6.570 1.00 0.00 C ATOM 892 O VAL A 141 -10.343 11.694 -5.938 1.00 0.00 O ATOM 893 CB VAL A 141 -7.486 11.501 -7.900 1.00 0.00 C ATOM 894 CG1 VAL A 141 -8.426 10.607 -8.712 1.00 0.00 C ATOM 895 CG2 VAL A 141 -7.369 12.867 -8.581 1.00 0.00 C ATOM 896 OXT VAL A 141 -9.642 13.242 -7.262 1.00 0.00 O ATOM 0 H VAL A 141 -8.045 9.549 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 141 -7.408 12.368 -5.930 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.502 11.036 -7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -8.027 10.478 -9.718 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.511 9.634 -8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -9.411 11.071 -8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -6.970 12.739 -9.587 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -8.354 13.331 -8.637 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -6.700 13.505 -8.004 1.00 0.00 H new TER 906 VAL A 141