USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 423 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 100 CYS SG : rot -101:sc= -0.35 USER MOD Set 1.2: A 113 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 94 ASN :FLIP amide:sc= -6.96! C(o=-14!,f=-11!) USER MOD Set 2.2: A 95 HIS :FLIP no HE2:sc= -2.15 F(o=-13!,f=-11) USER MOD Set 2.3: A 96 ASN : amide:sc= -2.37 K(o=-11,f=-13!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.199 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.091 USER MOD Single : A 78 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.7) USER MOD Single : A 79 THR OG1 : rot -104:sc= 0.545 USER MOD Single : A 81 SER OG : rot 100:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot -109:sc= 0.0784 USER MOD Single : A 103 GLN :FLIP amide:sc= -1.1 F(o=-4.7!,f=-1.1) USER MOD Single : A 104 THR OG1 : rot 180:sc= -2.61 USER MOD Single : A 105 LYS NZ :NH3+ -153:sc= 1.01 (180deg=0.515!) USER MOD Single : A 106 ASN : amide:sc= -0.754 X(o=-0.75,f=-1.2) USER MOD Single : A 108 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.4!) USER MOD Single : A 114 ASN : amide:sc= -2.22 K(o=-2.2,f=-3.5!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.62 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 64 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA SER A 64 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C SER A 64 3.575 0.000 -0.953 1.00 1.00 C ATOM 4 O SER A 64 3.986 0.000 0.206 1.00 1.00 O ATOM 5 CB SER A 64 1.701 1.205 -2.112 1.00 1.00 C ATOM 6 OG SER A 64 2.424 1.224 -3.339 1.00 1.00 O ATOM 0 HA SER A 64 1.816 -0.904 -1.798 1.00 1.00 H new ATOM 0 HB2 SER A 64 0.632 1.184 -2.322 1.00 1.00 H new ATOM 0 HB3 SER A 64 1.900 2.124 -1.560 1.00 1.00 H new ATOM 0 HG SER A 64 2.157 2.007 -3.864 1.00 1.00 H new ATOM 12 N LEU A 65 4.354 0.000 -2.025 1.00 1.00 N ATOM 13 CA LEU A 65 5.801 0.000 -1.899 1.00 1.00 C ATOM 14 C LEU A 65 6.378 1.175 -2.690 1.00 1.00 C ATOM 15 O LEU A 65 5.676 1.797 -3.486 1.00 1.00 O ATOM 16 CB LEU A 65 6.375 -1.358 -2.308 1.00 1.00 C ATOM 17 CG LEU A 65 6.172 -2.500 -1.311 1.00 1.00 C ATOM 18 CD1 LEU A 65 6.714 -2.126 0.070 1.00 1.00 C ATOM 19 CD2 LEU A 65 4.703 -2.924 -1.254 1.00 1.00 C ATOM 0 H LEU A 65 4.010 0.000 -2.985 1.00 1.00 H new ATOM 0 HA LEU A 65 6.092 0.143 -0.858 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.927 -1.648 -3.258 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.445 -1.240 -2.482 1.00 1.00 H new ATOM 0 HG LEU A 65 6.743 -3.361 -1.658 1.00 1.00 H new ATOM 0 HD11 LEU A 65 6.557 -2.956 0.759 1.00 1.00 H new ATOM 0 HD12 LEU A 65 7.780 -1.912 -0.003 1.00 1.00 H new ATOM 0 HD13 LEU A 65 6.192 -1.243 0.439 1.00 1.00 H new ATOM 0 HD21 LEU A 65 4.587 -3.737 -0.538 1.00 1.00 H new ATOM 0 HD22 LEU A 65 4.092 -2.077 -0.944 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.383 -3.260 -2.240 1.00 1.00 H new ATOM 31 N PHE A 66 7.652 1.445 -2.444 1.00 1.00 N ATOM 32 CA PHE A 66 8.331 2.535 -3.124 1.00 1.00 C ATOM 33 C PHE A 66 9.494 2.013 -3.970 1.00 1.00 C ATOM 34 O PHE A 66 9.898 0.859 -3.833 1.00 1.00 O ATOM 35 CB PHE A 66 8.881 3.464 -2.041 1.00 1.00 C ATOM 36 CG PHE A 66 7.839 3.905 -1.011 1.00 1.00 C ATOM 37 CD1 PHE A 66 7.303 2.995 -0.153 1.00 1.00 C ATOM 38 CD2 PHE A 66 7.448 5.206 -0.952 1.00 1.00 C ATOM 39 CE1 PHE A 66 6.336 3.403 0.802 1.00 1.00 C ATOM 40 CE2 PHE A 66 6.480 5.614 0.003 1.00 1.00 C ATOM 41 CZ PHE A 66 5.945 4.704 0.861 1.00 1.00 C ATOM 0 H PHE A 66 8.232 0.928 -1.783 1.00 1.00 H new ATOM 0 HA PHE A 66 7.636 3.050 -3.787 1.00 1.00 H new ATOM 0 HB2 PHE A 66 9.697 2.959 -1.524 1.00 1.00 H new ATOM 0 HB3 PHE A 66 9.304 4.349 -2.516 1.00 1.00 H new ATOM 0 HD1 PHE A 66 7.614 1.962 -0.199 1.00 1.00 H new ATOM 0 HD2 PHE A 66 7.874 5.929 -1.632 1.00 1.00 H new ATOM 0 HE1 PHE A 66 5.910 2.680 1.482 1.00 1.00 H new ATOM 0 HE2 PHE A 66 6.168 6.647 0.048 1.00 1.00 H new ATOM 0 HZ PHE A 66 5.210 5.015 1.589 1.00 1.00 H new ATOM 51 N VAL A 67 10.001 2.888 -4.826 1.00 1.00 N ATOM 52 CA VAL A 67 11.110 2.530 -5.694 1.00 1.00 C ATOM 53 C VAL A 67 12.223 3.570 -5.548 1.00 1.00 C ATOM 54 O VAL A 67 11.951 4.746 -5.311 1.00 1.00 O ATOM 55 CB VAL A 67 10.618 2.380 -7.136 1.00 1.00 C ATOM 56 CG1 VAL A 67 10.340 0.913 -7.470 1.00 1.00 C ATOM 57 CG2 VAL A 67 9.380 3.243 -7.386 1.00 1.00 C ATOM 0 H VAL A 67 9.664 3.844 -4.937 1.00 1.00 H new ATOM 0 HA VAL A 67 11.526 1.565 -5.404 1.00 1.00 H new ATOM 0 HB VAL A 67 11.410 2.731 -7.798 1.00 1.00 H new ATOM 0 HG11 VAL A 67 9.992 0.834 -8.500 1.00 1.00 H new ATOM 0 HG12 VAL A 67 11.255 0.333 -7.351 1.00 1.00 H new ATOM 0 HG13 VAL A 67 9.575 0.525 -6.798 1.00 1.00 H new ATOM 0 HG21 VAL A 67 9.051 3.118 -8.418 1.00 1.00 H new ATOM 0 HG22 VAL A 67 8.581 2.937 -6.711 1.00 1.00 H new ATOM 0 HG23 VAL A 67 9.624 4.290 -7.208 1.00 1.00 H new ATOM 67 N ALA A 68 13.452 3.098 -5.695 1.00 1.00 N ATOM 68 CA ALA A 68 14.607 3.972 -5.582 1.00 1.00 C ATOM 69 C ALA A 68 14.654 4.908 -6.791 1.00 1.00 C ATOM 70 O ALA A 68 14.882 4.464 -7.915 1.00 1.00 O ATOM 71 CB ALA A 68 15.876 3.127 -5.449 1.00 1.00 C ATOM 0 H ALA A 68 13.673 2.122 -5.891 1.00 1.00 H new ATOM 0 HA ALA A 68 14.533 4.592 -4.688 1.00 1.00 H new ATOM 0 HB1 ALA A 68 16.743 3.783 -5.364 1.00 1.00 H new ATOM 0 HB2 ALA A 68 15.805 2.502 -4.559 1.00 1.00 H new ATOM 0 HB3 ALA A 68 15.985 2.493 -6.329 1.00 1.00 H new ATOM 77 N LEU A 69 14.434 6.186 -6.519 1.00 1.00 N ATOM 78 CA LEU A 69 14.448 7.188 -7.571 1.00 1.00 C ATOM 79 C LEU A 69 15.864 7.749 -7.716 1.00 1.00 C ATOM 80 O LEU A 69 16.610 7.339 -8.604 1.00 1.00 O ATOM 81 CB LEU A 69 13.387 8.258 -7.306 1.00 1.00 C ATOM 82 CG LEU A 69 13.577 9.588 -8.038 1.00 1.00 C ATOM 83 CD1 LEU A 69 13.282 9.439 -9.532 1.00 1.00 C ATOM 84 CD2 LEU A 69 12.737 10.693 -7.395 1.00 1.00 C ATOM 0 H LEU A 69 14.245 6.550 -5.585 1.00 1.00 H new ATOM 0 HA LEU A 69 14.183 6.739 -8.528 1.00 1.00 H new ATOM 0 HB2 LEU A 69 12.413 7.851 -7.580 1.00 1.00 H new ATOM 0 HB3 LEU A 69 13.360 8.457 -6.235 1.00 1.00 H new ATOM 0 HG LEU A 69 14.622 9.883 -7.944 1.00 1.00 H new ATOM 0 HD11 LEU A 69 13.425 10.399 -10.029 1.00 1.00 H new ATOM 0 HD12 LEU A 69 13.959 8.702 -9.965 1.00 1.00 H new ATOM 0 HD13 LEU A 69 12.252 9.109 -9.668 1.00 1.00 H new ATOM 0 HD21 LEU A 69 12.891 11.628 -7.935 1.00 1.00 H new ATOM 0 HD22 LEU A 69 11.683 10.419 -7.436 1.00 1.00 H new ATOM 0 HD23 LEU A 69 13.038 10.821 -6.355 1.00 1.00 H new ATOM 96 N TYR A 70 16.191 8.679 -6.831 1.00 1.00 N ATOM 97 CA TYR A 70 17.504 9.300 -6.850 1.00 1.00 C ATOM 98 C TYR A 70 18.577 8.332 -6.347 1.00 1.00 C ATOM 99 O TYR A 70 18.263 7.335 -5.699 1.00 1.00 O ATOM 100 CB TYR A 70 17.421 10.491 -5.893 1.00 1.00 C ATOM 101 CG TYR A 70 16.722 11.717 -6.484 1.00 1.00 C ATOM 102 CD1 TYR A 70 17.073 12.174 -7.738 1.00 1.00 C ATOM 103 CD2 TYR A 70 15.739 12.365 -5.763 1.00 1.00 C ATOM 104 CE1 TYR A 70 16.415 13.328 -8.294 1.00 1.00 C ATOM 105 CE2 TYR A 70 15.081 13.519 -6.319 1.00 1.00 C ATOM 106 CZ TYR A 70 15.452 13.943 -7.557 1.00 1.00 C ATOM 107 OH TYR A 70 14.830 15.033 -8.083 1.00 1.00 O ATOM 0 H TYR A 70 15.569 9.017 -6.096 1.00 1.00 H new ATOM 0 HA TYR A 70 17.773 9.595 -7.864 1.00 1.00 H new ATOM 0 HB2 TYR A 70 16.891 10.183 -4.991 1.00 1.00 H new ATOM 0 HB3 TYR A 70 18.430 10.772 -5.590 1.00 1.00 H new ATOM 0 HD1 TYR A 70 17.841 11.666 -8.302 1.00 1.00 H new ATOM 0 HD2 TYR A 70 15.464 12.007 -4.782 1.00 1.00 H new ATOM 0 HE1 TYR A 70 16.680 13.697 -9.274 1.00 1.00 H new ATOM 0 HE2 TYR A 70 14.311 14.036 -5.766 1.00 1.00 H new ATOM 0 HH TYR A 70 14.164 15.369 -7.447 1.00 1.00 H new ATOM 117 N ASP A 71 19.820 8.659 -6.666 1.00 1.00 N ATOM 118 CA ASP A 71 20.941 7.830 -6.255 1.00 1.00 C ATOM 119 C ASP A 71 21.457 8.314 -4.898 1.00 1.00 C ATOM 120 O ASP A 71 21.025 9.352 -4.400 1.00 1.00 O ATOM 121 CB ASP A 71 22.091 7.922 -7.259 1.00 1.00 C ATOM 122 CG ASP A 71 22.343 9.320 -7.828 1.00 1.00 C ATOM 123 OD1 ASP A 71 21.588 10.236 -7.437 1.00 1.00 O ATOM 124 OD2 ASP A 71 23.286 9.440 -8.640 1.00 1.00 O ATOM 0 H ASP A 71 20.076 9.487 -7.204 1.00 1.00 H new ATOM 0 HA ASP A 71 20.595 6.798 -6.198 1.00 1.00 H new ATOM 0 HB2 ASP A 71 23.004 7.573 -6.776 1.00 1.00 H new ATOM 0 HB3 ASP A 71 21.887 7.241 -8.085 1.00 1.00 H new ATOM 129 N PHE A 72 22.375 7.539 -4.339 1.00 1.00 N ATOM 130 CA PHE A 72 22.955 7.875 -3.050 1.00 1.00 C ATOM 131 C PHE A 72 24.483 7.839 -3.110 1.00 1.00 C ATOM 132 O PHE A 72 25.058 7.180 -3.975 1.00 1.00 O ATOM 133 CB PHE A 72 22.470 6.821 -2.053 1.00 1.00 C ATOM 134 CG PHE A 72 22.711 7.193 -0.588 1.00 1.00 C ATOM 135 CD1 PHE A 72 23.967 7.136 -0.070 1.00 1.00 C ATOM 136 CD2 PHE A 72 21.669 7.582 0.195 1.00 1.00 C ATOM 137 CE1 PHE A 72 24.190 7.481 1.289 1.00 1.00 C ATOM 138 CE2 PHE A 72 21.892 7.927 1.554 1.00 1.00 C ATOM 139 CZ PHE A 72 23.148 7.869 2.073 1.00 1.00 C ATOM 0 H PHE A 72 22.731 6.679 -4.756 1.00 1.00 H new ATOM 0 HA PHE A 72 22.654 8.881 -2.757 1.00 1.00 H new ATOM 0 HB2 PHE A 72 21.403 6.656 -2.205 1.00 1.00 H new ATOM 0 HB3 PHE A 72 22.972 5.877 -2.265 1.00 1.00 H new ATOM 0 HD1 PHE A 72 24.795 6.828 -0.692 1.00 1.00 H new ATOM 0 HD2 PHE A 72 20.672 7.628 -0.217 1.00 1.00 H new ATOM 0 HE1 PHE A 72 25.187 7.435 1.701 1.00 1.00 H new ATOM 0 HE2 PHE A 72 21.064 8.235 2.176 1.00 1.00 H new ATOM 0 HZ PHE A 72 23.318 8.131 3.107 1.00 1.00 H new ATOM 149 N VAL A 73 25.097 8.557 -2.181 1.00 1.00 N ATOM 150 CA VAL A 73 26.547 8.615 -2.118 1.00 1.00 C ATOM 151 C VAL A 73 27.003 8.316 -0.688 1.00 1.00 C ATOM 152 O VAL A 73 26.379 8.764 0.273 1.00 1.00 O ATOM 153 CB VAL A 73 27.040 9.969 -2.631 1.00 1.00 C ATOM 154 CG1 VAL A 73 28.540 10.137 -2.383 1.00 1.00 C ATOM 155 CG2 VAL A 73 26.705 10.148 -4.114 1.00 1.00 C ATOM 0 H VAL A 73 24.617 9.103 -1.466 1.00 1.00 H new ATOM 0 HA VAL A 73 26.988 7.857 -2.766 1.00 1.00 H new ATOM 0 HB VAL A 73 26.520 10.748 -2.074 1.00 1.00 H new ATOM 0 HG11 VAL A 73 28.864 11.108 -2.757 1.00 1.00 H new ATOM 0 HG12 VAL A 73 28.741 10.075 -1.314 1.00 1.00 H new ATOM 0 HG13 VAL A 73 29.085 9.348 -2.901 1.00 1.00 H new ATOM 0 HG21 VAL A 73 27.066 11.119 -4.454 1.00 1.00 H new ATOM 0 HG22 VAL A 73 27.185 9.359 -4.693 1.00 1.00 H new ATOM 0 HG23 VAL A 73 25.625 10.094 -4.252 1.00 1.00 H new ATOM 165 N ALA A 74 28.089 7.563 -0.592 1.00 1.00 N ATOM 166 CA ALA A 74 28.635 7.199 0.704 1.00 1.00 C ATOM 167 C ALA A 74 29.045 8.468 1.454 1.00 1.00 C ATOM 168 O ALA A 74 29.546 9.416 0.851 1.00 1.00 O ATOM 169 CB ALA A 74 29.806 6.232 0.512 1.00 1.00 C ATOM 0 H ALA A 74 28.605 7.195 -1.391 1.00 1.00 H new ATOM 0 HA ALA A 74 27.885 6.687 1.306 1.00 1.00 H new ATOM 0 HB1 ALA A 74 30.216 5.959 1.485 1.00 1.00 H new ATOM 0 HB2 ALA A 74 29.457 5.335 0.000 1.00 1.00 H new ATOM 0 HB3 ALA A 74 30.580 6.713 -0.086 1.00 1.00 H new ATOM 175 N SER A 75 28.815 8.446 2.759 1.00 1.00 N ATOM 176 CA SER A 75 29.154 9.583 3.598 1.00 1.00 C ATOM 177 C SER A 75 29.510 9.106 5.007 1.00 1.00 C ATOM 178 O SER A 75 30.661 9.212 5.430 1.00 1.00 O ATOM 179 CB SER A 75 28.003 10.589 3.653 1.00 1.00 C ATOM 180 OG SER A 75 26.755 9.957 3.927 1.00 1.00 O ATOM 0 H SER A 75 28.398 7.659 3.256 1.00 1.00 H new ATOM 0 HA SER A 75 30.018 10.084 3.162 1.00 1.00 H new ATOM 0 HB2 SER A 75 28.209 11.334 4.422 1.00 1.00 H new ATOM 0 HB3 SER A 75 27.940 11.120 2.703 1.00 1.00 H new ATOM 0 HG SER A 75 26.046 10.633 3.956 1.00 1.00 H new ATOM 186 N GLY A 76 28.503 8.590 5.695 1.00 1.00 N ATOM 187 CA GLY A 76 28.695 8.097 7.048 1.00 1.00 C ATOM 188 C GLY A 76 28.916 6.583 7.053 1.00 1.00 C ATOM 189 O GLY A 76 28.915 5.948 5.999 1.00 1.00 O ATOM 0 H GLY A 76 27.551 8.502 5.341 1.00 1.00 H new ATOM 0 HA2 GLY A 76 29.552 8.595 7.502 1.00 1.00 H new ATOM 0 HA3 GLY A 76 27.824 8.343 7.656 1.00 1.00 H new ATOM 193 N ASP A 77 29.100 6.048 8.251 1.00 1.00 N ATOM 194 CA ASP A 77 29.322 4.620 8.407 1.00 1.00 C ATOM 195 C ASP A 77 28.052 3.865 8.009 1.00 1.00 C ATOM 196 O ASP A 77 28.068 3.067 7.073 1.00 1.00 O ATOM 197 CB ASP A 77 29.645 4.268 9.861 1.00 1.00 C ATOM 198 CG ASP A 77 30.008 2.803 10.106 1.00 1.00 C ATOM 199 OD1 ASP A 77 30.911 2.315 9.392 1.00 1.00 O ATOM 200 OD2 ASP A 77 29.375 2.203 11.001 1.00 1.00 O ATOM 0 H ASP A 77 29.100 6.577 9.123 1.00 1.00 H new ATOM 0 HA ASP A 77 30.162 4.338 7.773 1.00 1.00 H new ATOM 0 HB2 ASP A 77 30.474 4.893 10.195 1.00 1.00 H new ATOM 0 HB3 ASP A 77 28.785 4.522 10.480 1.00 1.00 H new ATOM 205 N ASN A 78 26.983 4.143 8.740 1.00 1.00 N ATOM 206 CA ASN A 78 25.707 3.499 8.475 1.00 1.00 C ATOM 207 C ASN A 78 25.010 4.217 7.318 1.00 1.00 C ATOM 208 O ASN A 78 24.246 5.157 7.535 1.00 1.00 O ATOM 209 CB ASN A 78 24.790 3.571 9.697 1.00 1.00 C ATOM 210 CG ASN A 78 23.834 2.376 9.736 1.00 1.00 C ATOM 211 OD1 ASN A 78 23.753 1.583 8.813 1.00 1.00 O ATOM 212 ND2 ASN A 78 23.118 2.293 10.854 1.00 1.00 N ATOM 0 H ASN A 78 26.974 4.805 9.516 1.00 1.00 H new ATOM 0 HA ASN A 78 25.900 2.455 8.230 1.00 1.00 H new ATOM 0 HB2 ASN A 78 25.391 3.591 10.606 1.00 1.00 H new ATOM 0 HB3 ASN A 78 24.218 4.498 9.673 1.00 1.00 H new ATOM 0 HD21 ASN A 78 22.452 1.531 10.977 1.00 1.00 H new ATOM 0 HD22 ASN A 78 23.235 2.992 11.588 1.00 1.00 H new ATOM 219 N THR A 79 25.297 3.747 6.113 1.00 1.00 N ATOM 220 CA THR A 79 24.707 4.332 4.921 1.00 1.00 C ATOM 221 C THR A 79 24.558 3.275 3.825 1.00 1.00 C ATOM 222 O THR A 79 25.114 2.183 3.931 1.00 1.00 O ATOM 223 CB THR A 79 25.570 5.524 4.502 1.00 1.00 C ATOM 224 OG1 THR A 79 24.713 6.650 4.674 1.00 1.00 O ATOM 225 CG2 THR A 79 25.886 5.521 3.005 1.00 1.00 C ATOM 0 H THR A 79 25.931 2.967 5.936 1.00 1.00 H new ATOM 0 HA THR A 79 23.698 4.695 5.117 1.00 1.00 H new ATOM 0 HB THR A 79 26.501 5.515 5.069 1.00 1.00 H new ATOM 0 HG1 THR A 79 24.396 6.957 3.799 1.00 1.00 H new ATOM 0 HG21 THR A 79 26.500 6.388 2.761 1.00 1.00 H new ATOM 0 HG22 THR A 79 26.426 4.610 2.749 1.00 1.00 H new ATOM 0 HG23 THR A 79 24.957 5.564 2.437 1.00 1.00 H new ATOM 233 N LEU A 80 23.805 3.636 2.797 1.00 1.00 N ATOM 234 CA LEU A 80 23.576 2.733 1.683 1.00 1.00 C ATOM 235 C LEU A 80 23.730 3.501 0.368 1.00 1.00 C ATOM 236 O LEU A 80 22.974 4.432 0.098 1.00 1.00 O ATOM 237 CB LEU A 80 22.224 2.032 1.830 1.00 1.00 C ATOM 238 CG LEU A 80 22.164 0.581 1.347 1.00 1.00 C ATOM 239 CD1 LEU A 80 20.797 -0.040 1.643 1.00 1.00 C ATOM 240 CD2 LEU A 80 22.530 0.481 -0.135 1.00 1.00 C ATOM 0 H LEU A 80 23.345 4.543 2.712 1.00 1.00 H new ATOM 0 HA LEU A 80 24.322 1.939 1.678 1.00 1.00 H new ATOM 0 HB2 LEU A 80 21.937 2.056 2.881 1.00 1.00 H new ATOM 0 HB3 LEU A 80 21.477 2.607 1.283 1.00 1.00 H new ATOM 0 HG LEU A 80 22.905 0.006 1.901 1.00 1.00 H new ATOM 0 HD11 LEU A 80 20.782 -1.071 1.290 1.00 1.00 H new ATOM 0 HD12 LEU A 80 20.614 -0.022 2.717 1.00 1.00 H new ATOM 0 HD13 LEU A 80 20.020 0.530 1.133 1.00 1.00 H new ATOM 0 HD21 LEU A 80 22.480 -0.560 -0.453 1.00 1.00 H new ATOM 0 HD22 LEU A 80 21.830 1.074 -0.723 1.00 1.00 H new ATOM 0 HD23 LEU A 80 23.542 0.858 -0.286 1.00 1.00 H new ATOM 252 N SER A 81 24.714 3.081 -0.413 1.00 1.00 N ATOM 253 CA SER A 81 24.977 3.718 -1.692 1.00 1.00 C ATOM 254 C SER A 81 24.451 2.842 -2.831 1.00 1.00 C ATOM 255 O SER A 81 24.998 1.773 -3.100 1.00 1.00 O ATOM 256 CB SER A 81 26.472 3.987 -1.877 1.00 1.00 C ATOM 257 OG SER A 81 26.997 4.816 -0.843 1.00 1.00 O ATOM 0 H SER A 81 25.339 2.308 -0.185 1.00 1.00 H new ATOM 0 HA SER A 81 24.458 4.676 -1.709 1.00 1.00 H new ATOM 0 HB2 SER A 81 27.012 3.040 -1.892 1.00 1.00 H new ATOM 0 HB3 SER A 81 26.638 4.464 -2.843 1.00 1.00 H new ATOM 0 HG SER A 81 27.455 4.260 -0.179 1.00 1.00 H new ATOM 263 N ILE A 82 23.396 3.327 -3.469 1.00 1.00 N ATOM 264 CA ILE A 82 22.790 2.601 -4.573 1.00 1.00 C ATOM 265 C ILE A 82 22.674 3.528 -5.785 1.00 1.00 C ATOM 266 O ILE A 82 23.171 4.653 -5.760 1.00 1.00 O ATOM 267 CB ILE A 82 21.459 1.983 -4.141 1.00 1.00 C ATOM 268 CG1 ILE A 82 21.152 2.309 -2.678 1.00 1.00 C ATOM 269 CG2 ILE A 82 21.441 0.477 -4.409 1.00 1.00 C ATOM 270 CD1 ILE A 82 20.696 3.762 -2.524 1.00 1.00 C ATOM 0 H ILE A 82 22.945 4.214 -3.243 1.00 1.00 H new ATOM 0 HA ILE A 82 23.421 1.764 -4.871 1.00 1.00 H new ATOM 0 HB ILE A 82 20.665 2.426 -4.743 1.00 1.00 H new ATOM 0 HG12 ILE A 82 20.376 1.639 -2.308 1.00 1.00 H new ATOM 0 HG13 ILE A 82 22.039 2.136 -2.069 1.00 1.00 H new ATOM 0 HG21 ILE A 82 20.484 0.063 -4.093 1.00 1.00 H new ATOM 0 HG22 ILE A 82 21.581 0.295 -5.475 1.00 1.00 H new ATOM 0 HG23 ILE A 82 22.246 -0.002 -3.851 1.00 1.00 H new ATOM 0 HD11 ILE A 82 20.484 3.968 -1.475 1.00 1.00 H new ATOM 0 HD12 ILE A 82 21.484 4.430 -2.873 1.00 1.00 H new ATOM 0 HD13 ILE A 82 19.795 3.925 -3.115 1.00 1.00 H new ATOM 282 N THR A 83 22.014 3.022 -6.816 1.00 1.00 N ATOM 283 CA THR A 83 21.827 3.790 -8.035 1.00 1.00 C ATOM 284 C THR A 83 20.372 4.246 -8.158 1.00 1.00 C ATOM 285 O THR A 83 19.500 3.756 -7.442 1.00 1.00 O ATOM 286 CB THR A 83 22.297 2.933 -9.211 1.00 1.00 C ATOM 287 OG1 THR A 83 23.588 2.477 -8.815 1.00 1.00 O ATOM 288 CG2 THR A 83 22.564 3.761 -10.469 1.00 1.00 C ATOM 0 H THR A 83 21.602 2.089 -6.832 1.00 1.00 H new ATOM 0 HA THR A 83 22.422 4.703 -8.023 1.00 1.00 H new ATOM 0 HB THR A 83 21.546 2.174 -9.429 1.00 1.00 H new ATOM 0 HG1 THR A 83 23.966 1.911 -9.521 1.00 1.00 H new ATOM 0 HG21 THR A 83 22.895 3.104 -11.273 1.00 1.00 H new ATOM 0 HG22 THR A 83 21.649 4.271 -10.770 1.00 1.00 H new ATOM 0 HG23 THR A 83 23.339 4.499 -10.261 1.00 1.00 H new ATOM 296 N LYS A 84 20.153 5.180 -9.073 1.00 1.00 N ATOM 297 CA LYS A 84 18.819 5.708 -9.300 1.00 1.00 C ATOM 298 C LYS A 84 17.999 4.686 -10.090 1.00 1.00 C ATOM 299 O LYS A 84 18.553 3.748 -10.661 1.00 1.00 O ATOM 300 CB LYS A 84 18.893 7.083 -9.965 1.00 1.00 C ATOM 301 CG LYS A 84 19.921 7.090 -11.098 1.00 1.00 C ATOM 302 CD LYS A 84 21.245 7.700 -10.634 1.00 1.00 C ATOM 303 CE LYS A 84 21.763 8.724 -11.646 1.00 1.00 C ATOM 304 NZ LYS A 84 22.411 8.041 -12.788 1.00 1.00 N ATOM 0 H LYS A 84 20.878 5.584 -9.666 1.00 1.00 H new ATOM 0 HA LYS A 84 18.305 5.866 -8.352 1.00 1.00 H new ATOM 0 HB2 LYS A 84 17.913 7.354 -10.357 1.00 1.00 H new ATOM 0 HB3 LYS A 84 19.159 7.836 -9.223 1.00 1.00 H new ATOM 0 HG2 LYS A 84 20.089 6.071 -11.448 1.00 1.00 H new ATOM 0 HG3 LYS A 84 19.532 7.657 -11.943 1.00 1.00 H new ATOM 0 HD2 LYS A 84 21.109 8.179 -9.664 1.00 1.00 H new ATOM 0 HD3 LYS A 84 21.985 6.911 -10.499 1.00 1.00 H new ATOM 0 HE2 LYS A 84 20.938 9.340 -12.004 1.00 1.00 H new ATOM 0 HE3 LYS A 84 22.475 9.393 -11.163 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 22.757 8.750 -13.466 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 23.211 7.472 -12.444 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 21.721 7.421 -13.258 1.00 1.00 H new ATOM 318 N GLY A 85 16.691 4.902 -10.097 1.00 1.00 N ATOM 319 CA GLY A 85 15.789 4.012 -10.807 1.00 1.00 C ATOM 320 C GLY A 85 16.244 2.556 -10.682 1.00 1.00 C ATOM 321 O GLY A 85 16.009 1.749 -11.580 1.00 1.00 O ATOM 0 H GLY A 85 16.235 5.681 -9.622 1.00 1.00 H new ATOM 0 HA2 GLY A 85 14.780 4.117 -10.408 1.00 1.00 H new ATOM 0 HA3 GLY A 85 15.747 4.295 -11.859 1.00 1.00 H new ATOM 325 N GLU A 86 16.886 2.265 -9.560 1.00 1.00 N ATOM 326 CA GLU A 86 17.376 0.921 -9.306 1.00 1.00 C ATOM 327 C GLU A 86 16.323 0.106 -8.552 1.00 1.00 C ATOM 328 O GLU A 86 15.366 0.665 -8.019 1.00 1.00 O ATOM 329 CB GLU A 86 18.698 0.956 -8.535 1.00 1.00 C ATOM 330 CG GLU A 86 19.675 -0.091 -9.076 1.00 1.00 C ATOM 331 CD GLU A 86 19.926 -1.191 -8.043 1.00 1.00 C ATOM 332 OE1 GLU A 86 19.033 -1.383 -7.189 1.00 1.00 O ATOM 333 OE2 GLU A 86 21.004 -1.817 -8.131 1.00 1.00 O ATOM 0 H GLU A 86 17.078 2.937 -8.817 1.00 1.00 H new ATOM 0 HA GLU A 86 17.565 0.437 -10.264 1.00 1.00 H new ATOM 0 HB2 GLU A 86 19.143 1.948 -8.613 1.00 1.00 H new ATOM 0 HB3 GLU A 86 18.511 0.772 -7.477 1.00 1.00 H new ATOM 0 HG2 GLU A 86 19.274 -0.530 -9.990 1.00 1.00 H new ATOM 0 HG3 GLU A 86 20.618 0.388 -9.339 1.00 1.00 H new ATOM 340 N LYS A 87 16.536 -1.201 -8.531 1.00 1.00 N ATOM 341 CA LYS A 87 15.617 -2.098 -7.851 1.00 1.00 C ATOM 342 C LYS A 87 15.842 -2.003 -6.341 1.00 1.00 C ATOM 343 O LYS A 87 16.594 -2.792 -5.771 1.00 1.00 O ATOM 344 CB LYS A 87 15.748 -3.519 -8.404 1.00 1.00 C ATOM 345 CG LYS A 87 14.913 -4.505 -7.585 1.00 1.00 C ATOM 346 CD LYS A 87 15.810 -5.475 -6.813 1.00 1.00 C ATOM 347 CE LYS A 87 15.121 -6.827 -6.623 1.00 1.00 C ATOM 348 NZ LYS A 87 14.199 -6.781 -5.466 1.00 1.00 N ATOM 0 H LYS A 87 17.332 -1.661 -8.974 1.00 1.00 H new ATOM 0 HA LYS A 87 14.585 -1.801 -8.039 1.00 1.00 H new ATOM 0 HB2 LYS A 87 15.424 -3.539 -9.445 1.00 1.00 H new ATOM 0 HB3 LYS A 87 16.794 -3.824 -8.390 1.00 1.00 H new ATOM 0 HG2 LYS A 87 14.278 -3.958 -6.888 1.00 1.00 H new ATOM 0 HG3 LYS A 87 14.252 -5.064 -8.247 1.00 1.00 H new ATOM 0 HD2 LYS A 87 16.748 -5.614 -7.350 1.00 1.00 H new ATOM 0 HD3 LYS A 87 16.059 -5.050 -5.841 1.00 1.00 H new ATOM 0 HE2 LYS A 87 14.569 -7.090 -7.525 1.00 1.00 H new ATOM 0 HE3 LYS A 87 15.869 -7.605 -6.469 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 13.740 -7.707 -5.351 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 14.734 -6.551 -4.605 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 13.474 -6.053 -5.628 1.00 1.00 H new ATOM 362 N LEU A 88 15.176 -1.031 -5.736 1.00 1.00 N ATOM 363 CA LEU A 88 15.293 -0.822 -4.303 1.00 1.00 C ATOM 364 C LEU A 88 13.989 -0.227 -3.769 1.00 1.00 C ATOM 365 O LEU A 88 13.522 0.798 -4.264 1.00 1.00 O ATOM 366 CB LEU A 88 16.530 0.021 -3.984 1.00 1.00 C ATOM 367 CG LEU A 88 16.656 0.506 -2.538 1.00 1.00 C ATOM 368 CD1 LEU A 88 18.035 1.117 -2.283 1.00 1.00 C ATOM 369 CD2 LEU A 88 15.525 1.474 -2.184 1.00 1.00 C ATOM 0 H LEU A 88 14.553 -0.379 -6.212 1.00 1.00 H new ATOM 0 HA LEU A 88 15.442 -1.773 -3.791 1.00 1.00 H new ATOM 0 HB2 LEU A 88 17.417 -0.564 -4.229 1.00 1.00 H new ATOM 0 HB3 LEU A 88 16.531 0.892 -4.640 1.00 1.00 H new ATOM 0 HG LEU A 88 16.559 -0.356 -1.878 1.00 1.00 H new ATOM 0 HD11 LEU A 88 18.098 1.454 -1.248 1.00 1.00 H new ATOM 0 HD12 LEU A 88 18.805 0.368 -2.469 1.00 1.00 H new ATOM 0 HD13 LEU A 88 18.186 1.965 -2.950 1.00 1.00 H new ATOM 0 HD21 LEU A 88 15.638 1.804 -1.151 1.00 1.00 H new ATOM 0 HD22 LEU A 88 15.565 2.338 -2.847 1.00 1.00 H new ATOM 0 HD23 LEU A 88 14.565 0.971 -2.301 1.00 1.00 H new ATOM 381 N ARG A 89 13.437 -0.896 -2.767 1.00 1.00 N ATOM 382 CA ARG A 89 12.195 -0.446 -2.162 1.00 1.00 C ATOM 383 C ARG A 89 12.294 -0.513 -0.636 1.00 1.00 C ATOM 384 O ARG A 89 12.925 -1.416 -0.091 1.00 1.00 O ATOM 385 CB ARG A 89 11.014 -1.299 -2.627 1.00 1.00 C ATOM 386 CG ARG A 89 11.087 -1.562 -4.133 1.00 1.00 C ATOM 387 CD ARG A 89 9.709 -1.917 -4.695 1.00 1.00 C ATOM 388 NE ARG A 89 9.831 -2.334 -6.110 1.00 1.00 N ATOM 389 CZ ARG A 89 8.927 -3.086 -6.752 1.00 1.00 C ATOM 390 NH1 ARG A 89 7.828 -3.507 -6.111 1.00 1.00 N ATOM 391 NH2 ARG A 89 9.121 -3.416 -8.036 1.00 1.00 N ATOM 0 H ARG A 89 13.827 -1.746 -2.359 1.00 1.00 H new ATOM 0 HA ARG A 89 12.028 0.585 -2.475 1.00 1.00 H new ATOM 0 HB2 ARG A 89 11.011 -2.247 -2.088 1.00 1.00 H new ATOM 0 HB3 ARG A 89 10.079 -0.793 -2.387 1.00 1.00 H new ATOM 0 HG2 ARG A 89 11.475 -0.679 -4.642 1.00 1.00 H new ATOM 0 HG3 ARG A 89 11.785 -2.376 -4.330 1.00 1.00 H new ATOM 0 HD2 ARG A 89 9.264 -2.720 -4.108 1.00 1.00 H new ATOM 0 HD3 ARG A 89 9.043 -1.058 -4.617 1.00 1.00 H new ATOM 0 HE ARG A 89 10.655 -2.030 -6.629 1.00 1.00 H new ATOM 0 HH11 ARG A 89 7.679 -3.255 -5.134 1.00 1.00 H new ATOM 0 HH12 ARG A 89 7.140 -4.079 -6.600 1.00 1.00 H new ATOM 0 HH21 ARG A 89 9.957 -3.095 -8.524 1.00 1.00 H new ATOM 0 HH22 ARG A 89 8.433 -3.989 -8.525 1.00 1.00 H new ATOM 405 N VAL A 90 11.660 0.456 0.009 1.00 1.00 N ATOM 406 CA VAL A 90 11.669 0.518 1.460 1.00 1.00 C ATOM 407 C VAL A 90 10.794 -0.605 2.020 1.00 1.00 C ATOM 408 O VAL A 90 9.639 -0.753 1.624 1.00 1.00 O ATOM 409 CB VAL A 90 11.229 1.908 1.927 1.00 1.00 C ATOM 410 CG1 VAL A 90 10.776 1.877 3.388 1.00 1.00 C ATOM 411 CG2 VAL A 90 12.345 2.934 1.721 1.00 1.00 C ATOM 0 H VAL A 90 11.137 1.204 -0.447 1.00 1.00 H new ATOM 0 HA VAL A 90 12.678 0.365 1.842 1.00 1.00 H new ATOM 0 HB VAL A 90 10.378 2.212 1.318 1.00 1.00 H new ATOM 0 HG11 VAL A 90 10.469 2.877 3.695 1.00 1.00 H new ATOM 0 HG12 VAL A 90 9.936 1.191 3.494 1.00 1.00 H new ATOM 0 HG13 VAL A 90 11.600 1.542 4.017 1.00 1.00 H new ATOM 0 HG21 VAL A 90 12.007 3.913 2.061 1.00 1.00 H new ATOM 0 HG22 VAL A 90 13.224 2.635 2.292 1.00 1.00 H new ATOM 0 HG23 VAL A 90 12.601 2.986 0.663 1.00 1.00 H new ATOM 421 N LEU A 91 11.378 -1.368 2.932 1.00 1.00 N ATOM 422 CA LEU A 91 10.666 -2.474 3.550 1.00 1.00 C ATOM 423 C LEU A 91 10.337 -2.116 5.001 1.00 1.00 C ATOM 424 O LEU A 91 9.329 -2.567 5.543 1.00 1.00 O ATOM 425 CB LEU A 91 11.461 -3.772 3.402 1.00 1.00 C ATOM 426 CG LEU A 91 10.878 -4.809 2.439 1.00 1.00 C ATOM 427 CD1 LEU A 91 11.651 -6.127 2.520 1.00 1.00 C ATOM 428 CD2 LEU A 91 9.381 -5.006 2.685 1.00 1.00 C ATOM 0 H LEU A 91 12.336 -1.242 3.258 1.00 1.00 H new ATOM 0 HA LEU A 91 9.718 -2.648 3.042 1.00 1.00 H new ATOM 0 HB2 LEU A 91 12.468 -3.522 3.069 1.00 1.00 H new ATOM 0 HB3 LEU A 91 11.555 -4.231 4.386 1.00 1.00 H new ATOM 0 HG LEU A 91 10.989 -4.432 1.422 1.00 1.00 H new ATOM 0 HD11 LEU A 91 11.217 -6.847 1.826 1.00 1.00 H new ATOM 0 HD12 LEU A 91 12.694 -5.954 2.257 1.00 1.00 H new ATOM 0 HD13 LEU A 91 11.593 -6.521 3.535 1.00 1.00 H new ATOM 0 HD21 LEU A 91 8.992 -5.748 1.987 1.00 1.00 H new ATOM 0 HD22 LEU A 91 9.222 -5.351 3.707 1.00 1.00 H new ATOM 0 HD23 LEU A 91 8.860 -4.060 2.536 1.00 1.00 H new ATOM 440 N GLY A 92 11.208 -1.308 5.589 1.00 1.00 N ATOM 441 CA GLY A 92 11.023 -0.884 6.967 1.00 1.00 C ATOM 442 C GLY A 92 11.185 0.631 7.101 1.00 1.00 C ATOM 443 O GLY A 92 11.678 1.290 6.186 1.00 1.00 O ATOM 0 H GLY A 92 12.043 -0.936 5.137 1.00 1.00 H new ATOM 0 HA2 GLY A 92 10.032 -1.179 7.312 1.00 1.00 H new ATOM 0 HA3 GLY A 92 11.747 -1.389 7.607 1.00 1.00 H new ATOM 447 N TYR A 93 10.761 1.140 8.248 1.00 1.00 N ATOM 448 CA TYR A 93 10.853 2.566 8.514 1.00 1.00 C ATOM 449 C TYR A 93 11.551 2.831 9.850 1.00 1.00 C ATOM 450 O TYR A 93 11.932 1.895 10.551 1.00 1.00 O ATOM 451 CB TYR A 93 9.412 3.074 8.595 1.00 1.00 C ATOM 452 CG TYR A 93 8.678 3.079 7.253 1.00 1.00 C ATOM 453 CD1 TYR A 93 8.387 1.886 6.621 1.00 1.00 C ATOM 454 CD2 TYR A 93 8.306 4.275 6.674 1.00 1.00 C ATOM 455 CE1 TYR A 93 7.695 1.891 5.358 1.00 1.00 C ATOM 456 CE2 TYR A 93 7.615 4.279 5.411 1.00 1.00 C ATOM 457 CZ TYR A 93 7.343 3.087 4.815 1.00 1.00 C ATOM 458 OH TYR A 93 6.690 3.091 3.622 1.00 1.00 O ATOM 0 H TYR A 93 10.353 0.591 9.004 1.00 1.00 H new ATOM 0 HA TYR A 93 11.429 3.065 7.735 1.00 1.00 H new ATOM 0 HB2 TYR A 93 8.858 2.453 9.298 1.00 1.00 H new ATOM 0 HB3 TYR A 93 9.417 4.086 8.999 1.00 1.00 H new ATOM 0 HD1 TYR A 93 8.678 0.950 7.074 1.00 1.00 H new ATOM 0 HD2 TYR A 93 8.533 5.208 7.168 1.00 1.00 H new ATOM 0 HE1 TYR A 93 7.461 0.965 4.853 1.00 1.00 H new ATOM 0 HE2 TYR A 93 7.319 5.208 4.947 1.00 1.00 H new ATOM 0 HH TYR A 93 7.289 3.427 2.923 1.00 1.00 H new ATOM 468 N ASN A 94 11.696 4.110 10.161 1.00 1.00 N ATOM 469 CA ASN A 94 12.340 4.510 11.401 1.00 1.00 C ATOM 470 C ASN A 94 11.303 4.539 12.524 1.00 1.00 C ATOM 471 O ASN A 94 10.131 4.240 12.300 1.00 1.00 O ATOM 472 CB ASN A 94 12.945 5.911 11.280 1.00 1.00 C ATOM 473 CG ASN A 94 14.441 5.892 11.603 1.00 1.00 C ATOM 474 OD1 ASN A 94 15.226 6.032 10.539 1.00 1.00 O flip ATOM 475 ND2 ASN A 94 14.854 5.758 12.743 1.00 1.00 N flip ATOM 0 H ASN A 94 11.379 4.883 9.576 1.00 1.00 H new ATOM 0 HA ASN A 94 13.131 3.792 11.616 1.00 1.00 H new ATOM 0 HB2 ASN A 94 12.792 6.291 10.270 1.00 1.00 H new ATOM 0 HB3 ASN A 94 12.431 6.593 11.958 1.00 1.00 H new ATOM 0 HD21 ASN A 94 14.196 5.655 13.515 1.00 1.00 H new ATOM 0 HD22 ASN A 94 15.858 5.749 12.924 1.00 1.00 H new ATOM 482 N HIS A 95 11.771 4.902 13.710 1.00 1.00 N ATOM 483 CA HIS A 95 10.897 4.973 14.869 1.00 1.00 C ATOM 484 C HIS A 95 10.259 6.362 14.946 1.00 1.00 C ATOM 485 O HIS A 95 9.067 6.486 15.222 1.00 1.00 O ATOM 486 CB HIS A 95 11.655 4.597 16.144 1.00 1.00 C ATOM 487 CG HIS A 95 13.021 5.232 16.256 1.00 1.00 C ATOM 488 ND1 HIS A 95 14.205 4.909 15.662 1.00 1.00 N flip ATOM 489 CD2 HIS A 95 13.272 6.333 17.057 1.00 1.00 C flip ATOM 490 CE1 HIS A 95 15.130 5.766 16.076 1.00 1.00 C flip ATOM 491 NE2 HIS A 95 14.554 6.650 16.941 1.00 1.00 N flip ATOM 0 H HIS A 95 12.743 5.150 13.893 1.00 1.00 H new ATOM 0 HA HIS A 95 10.091 4.246 14.767 1.00 1.00 H new ATOM 0 HB2 HIS A 95 11.058 4.888 17.008 1.00 1.00 H new ATOM 0 HB3 HIS A 95 11.765 3.513 16.183 1.00 1.00 H new ATOM 0 HD1 HIS A 95 14.355 4.139 15.010 1.00 1.00 H new ATOM 0 HD2 HIS A 95 12.547 6.846 17.672 1.00 1.00 H new ATOM 0 HE1 HIS A 95 16.168 5.764 15.777 1.00 1.00 H new ATOM 499 N ASN A 96 11.082 7.370 14.697 1.00 1.00 N ATOM 500 CA ASN A 96 10.613 8.745 14.735 1.00 1.00 C ATOM 501 C ASN A 96 10.230 9.188 13.321 1.00 1.00 C ATOM 502 O ASN A 96 10.093 10.381 13.056 1.00 1.00 O ATOM 503 CB ASN A 96 11.706 9.686 15.245 1.00 1.00 C ATOM 504 CG ASN A 96 12.260 9.206 16.588 1.00 1.00 C ATOM 505 OD1 ASN A 96 11.549 8.684 17.431 1.00 1.00 O ATOM 506 ND2 ASN A 96 13.565 9.411 16.739 1.00 1.00 N ATOM 0 H ASN A 96 12.070 7.262 14.468 1.00 1.00 H new ATOM 0 HA ASN A 96 9.756 8.790 15.407 1.00 1.00 H new ATOM 0 HB2 ASN A 96 12.513 9.742 14.514 1.00 1.00 H new ATOM 0 HB3 ASN A 96 11.303 10.693 15.353 1.00 1.00 H new ATOM 0 HD21 ASN A 96 14.030 9.126 17.601 1.00 1.00 H new ATOM 0 HD22 ASN A 96 14.101 9.854 15.993 1.00 1.00 H new ATOM 513 N GLY A 97 10.068 8.202 12.450 1.00 1.00 N ATOM 514 CA GLY A 97 9.703 8.475 11.071 1.00 1.00 C ATOM 515 C GLY A 97 10.621 9.537 10.461 1.00 1.00 C ATOM 516 O GLY A 97 10.175 10.639 10.144 1.00 1.00 O ATOM 0 H GLY A 97 10.183 7.213 12.673 1.00 1.00 H new ATOM 0 HA2 GLY A 97 9.764 7.557 10.486 1.00 1.00 H new ATOM 0 HA3 GLY A 97 8.668 8.814 11.025 1.00 1.00 H new ATOM 520 N GLU A 98 11.885 9.169 10.316 1.00 1.00 N ATOM 521 CA GLU A 98 12.869 10.076 9.750 1.00 1.00 C ATOM 522 C GLU A 98 13.497 9.464 8.497 1.00 1.00 C ATOM 523 O GLU A 98 13.580 10.116 7.457 1.00 1.00 O ATOM 524 CB GLU A 98 13.941 10.435 10.781 1.00 1.00 C ATOM 525 CG GLU A 98 14.419 9.189 11.530 1.00 1.00 C ATOM 526 CD GLU A 98 15.354 9.568 12.682 1.00 1.00 C ATOM 527 OE1 GLU A 98 16.184 10.476 12.464 1.00 1.00 O ATOM 528 OE2 GLU A 98 15.216 8.939 13.754 1.00 1.00 O ATOM 0 H GLU A 98 12.251 8.254 10.581 1.00 1.00 H new ATOM 0 HA GLU A 98 12.362 10.998 9.465 1.00 1.00 H new ATOM 0 HB2 GLU A 98 14.786 10.911 10.282 1.00 1.00 H new ATOM 0 HB3 GLU A 98 13.541 11.159 11.490 1.00 1.00 H new ATOM 0 HG2 GLU A 98 13.560 8.642 11.919 1.00 1.00 H new ATOM 0 HG3 GLU A 98 14.937 8.522 10.841 1.00 1.00 H new ATOM 535 N TRP A 99 13.923 8.217 8.636 1.00 1.00 N ATOM 536 CA TRP A 99 14.541 7.509 7.527 1.00 1.00 C ATOM 537 C TRP A 99 13.818 6.171 7.359 1.00 1.00 C ATOM 538 O TRP A 99 12.948 5.827 8.157 1.00 1.00 O ATOM 539 CB TRP A 99 16.046 7.352 7.749 1.00 1.00 C ATOM 540 CG TRP A 99 16.871 8.561 7.303 1.00 1.00 C ATOM 541 CD1 TRP A 99 16.706 9.845 7.649 1.00 1.00 C ATOM 542 CD2 TRP A 99 18.004 8.546 6.408 1.00 1.00 C ATOM 543 NE1 TRP A 99 17.646 10.656 7.045 1.00 1.00 N ATOM 544 CE2 TRP A 99 18.460 9.841 6.267 1.00 1.00 C ATOM 545 CE3 TRP A 99 18.623 7.475 5.741 1.00 1.00 C ATOM 546 CZ2 TRP A 99 19.554 10.185 5.464 1.00 1.00 C ATOM 547 CZ3 TRP A 99 19.714 7.835 4.942 1.00 1.00 C ATOM 548 CH2 TRP A 99 20.186 9.134 4.789 1.00 1.00 C ATOM 0 H TRP A 99 13.853 7.679 9.499 1.00 1.00 H new ATOM 0 HA TRP A 99 14.441 8.077 6.602 1.00 1.00 H new ATOM 0 HB2 TRP A 99 16.230 7.171 8.808 1.00 1.00 H new ATOM 0 HB3 TRP A 99 16.392 6.470 7.210 1.00 1.00 H new ATOM 0 HD1 TRP A 99 15.935 10.201 8.316 1.00 1.00 H new ATOM 0 HE1 TRP A 99 17.728 11.667 7.150 1.00 1.00 H new ATOM 0 HE3 TRP A 99 18.283 6.454 5.837 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 19.892 11.206 5.370 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 20.225 7.049 4.407 1.00 1.00 H new ATOM 0 HH2 TRP A 99 21.036 9.331 4.153 1.00 1.00 H new ATOM 559 N CYS A 100 14.206 5.453 6.315 1.00 1.00 N ATOM 560 CA CYS A 100 13.606 4.160 6.032 1.00 1.00 C ATOM 561 C CYS A 100 14.723 3.182 5.666 1.00 1.00 C ATOM 562 O CYS A 100 15.659 3.541 4.953 1.00 1.00 O ATOM 563 CB CYS A 100 12.548 4.257 4.931 1.00 1.00 C ATOM 564 SG CYS A 100 11.423 5.661 5.264 1.00 1.00 S ATOM 0 H CYS A 100 14.928 5.742 5.655 1.00 1.00 H new ATOM 0 HA CYS A 100 13.083 3.797 6.917 1.00 1.00 H new ATOM 0 HB2 CYS A 100 13.030 4.389 3.963 1.00 1.00 H new ATOM 0 HB3 CYS A 100 11.979 3.329 4.880 1.00 1.00 H new ATOM 0 HG CYS A 100 10.316 5.217 5.782 1.00 1.00 H new ATOM 570 N GLU A 101 14.588 1.964 6.169 1.00 1.00 N ATOM 571 CA GLU A 101 15.575 0.930 5.904 1.00 1.00 C ATOM 572 C GLU A 101 15.221 0.176 4.621 1.00 1.00 C ATOM 573 O GLU A 101 14.084 -0.258 4.445 1.00 1.00 O ATOM 574 CB GLU A 101 15.695 -0.030 7.089 1.00 1.00 C ATOM 575 CG GLU A 101 17.144 -0.483 7.282 1.00 1.00 C ATOM 576 CD GLU A 101 17.339 -1.919 6.790 1.00 1.00 C ATOM 577 OE1 GLU A 101 17.073 -2.836 7.597 1.00 1.00 O ATOM 578 OE2 GLU A 101 17.749 -2.067 5.619 1.00 1.00 O ATOM 0 H GLU A 101 13.810 1.669 6.759 1.00 1.00 H new ATOM 0 HA GLU A 101 16.545 1.407 5.766 1.00 1.00 H new ATOM 0 HB2 GLU A 101 15.339 0.459 7.996 1.00 1.00 H new ATOM 0 HB3 GLU A 101 15.057 -0.899 6.924 1.00 1.00 H new ATOM 0 HG2 GLU A 101 17.813 0.185 6.740 1.00 1.00 H new ATOM 0 HG3 GLU A 101 17.412 -0.416 8.336 1.00 1.00 H new ATOM 585 N ALA A 102 16.217 0.043 3.757 1.00 1.00 N ATOM 586 CA ALA A 102 16.026 -0.651 2.495 1.00 1.00 C ATOM 587 C ALA A 102 17.205 -1.596 2.254 1.00 1.00 C ATOM 588 O ALA A 102 18.246 -1.473 2.898 1.00 1.00 O ATOM 589 CB ALA A 102 15.858 0.371 1.370 1.00 1.00 C ATOM 0 H ALA A 102 17.159 0.404 3.906 1.00 1.00 H new ATOM 0 HA ALA A 102 15.120 -1.256 2.523 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.715 -0.150 0.423 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.990 0.998 1.574 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.750 0.995 1.309 1.00 1.00 H new ATOM 595 N GLN A 103 17.003 -2.517 1.323 1.00 1.00 N ATOM 596 CA GLN A 103 18.037 -3.482 0.989 1.00 1.00 C ATOM 597 C GLN A 103 18.411 -3.368 -0.490 1.00 1.00 C ATOM 598 O GLN A 103 17.780 -2.622 -1.238 1.00 1.00 O ATOM 599 CB GLN A 103 17.591 -4.905 1.333 1.00 1.00 C ATOM 600 CG GLN A 103 16.895 -4.947 2.694 1.00 1.00 C ATOM 601 CD GLN A 103 15.475 -5.502 2.567 1.00 1.00 C ATOM 602 OE1 GLN A 103 14.558 -4.583 2.276 1.00 1.00 O flip ATOM 603 NE2 GLN A 103 15.227 -6.687 2.722 1.00 1.00 N flip ATOM 0 H GLN A 103 16.139 -2.615 0.790 1.00 1.00 H new ATOM 0 HA GLN A 103 18.921 -3.259 1.586 1.00 1.00 H new ATOM 0 HB2 GLN A 103 16.914 -5.274 0.563 1.00 1.00 H new ATOM 0 HB3 GLN A 103 18.456 -5.569 1.342 1.00 1.00 H new ATOM 0 HG2 GLN A 103 17.471 -5.566 3.382 1.00 1.00 H new ATOM 0 HG3 GLN A 103 16.861 -3.944 3.120 1.00 1.00 H new ATOM 0 HE21 GLN A 103 15.978 -7.340 2.944 1.00 1.00 H new ATOM 0 HE22 GLN A 103 14.269 -7.024 2.629 1.00 1.00 H new ATOM 612 N THR A 104 19.437 -4.117 -0.868 1.00 1.00 N ATOM 613 CA THR A 104 19.903 -4.109 -2.244 1.00 1.00 C ATOM 614 C THR A 104 20.162 -5.537 -2.728 1.00 1.00 C ATOM 615 O THR A 104 20.422 -6.431 -1.924 1.00 1.00 O ATOM 616 CB THR A 104 21.137 -3.208 -2.320 1.00 1.00 C ATOM 617 OG1 THR A 104 22.221 -4.077 -2.002 1.00 1.00 O ATOM 618 CG2 THR A 104 21.164 -2.157 -1.209 1.00 1.00 C ATOM 0 H THR A 104 19.959 -4.733 -0.245 1.00 1.00 H new ATOM 0 HA THR A 104 19.146 -3.705 -2.916 1.00 1.00 H new ATOM 0 HB THR A 104 21.165 -2.711 -3.290 1.00 1.00 H new ATOM 0 HG1 THR A 104 23.062 -3.574 -2.029 1.00 1.00 H new ATOM 0 HG21 THR A 104 22.060 -1.545 -1.309 1.00 1.00 H new ATOM 0 HG22 THR A 104 20.281 -1.523 -1.286 1.00 1.00 H new ATOM 0 HG23 THR A 104 21.171 -2.653 -0.239 1.00 1.00 H new ATOM 626 N LYS A 105 20.081 -5.707 -4.040 1.00 1.00 N ATOM 627 CA LYS A 105 20.304 -7.011 -4.640 1.00 1.00 C ATOM 628 C LYS A 105 21.470 -7.703 -3.930 1.00 1.00 C ATOM 629 O LYS A 105 21.460 -8.920 -3.755 1.00 1.00 O ATOM 630 CB LYS A 105 20.497 -6.879 -6.152 1.00 1.00 C ATOM 631 CG LYS A 105 21.573 -5.842 -6.479 1.00 1.00 C ATOM 632 CD LYS A 105 20.945 -4.531 -6.957 1.00 1.00 C ATOM 633 CE LYS A 105 21.387 -3.359 -6.079 1.00 1.00 C ATOM 634 NZ LYS A 105 22.677 -2.812 -6.557 1.00 1.00 N ATOM 0 H LYS A 105 19.864 -4.963 -4.704 1.00 1.00 H new ATOM 0 HA LYS A 105 19.428 -7.646 -4.507 1.00 1.00 H new ATOM 0 HB2 LYS A 105 20.778 -7.845 -6.572 1.00 1.00 H new ATOM 0 HB3 LYS A 105 19.555 -6.591 -6.619 1.00 1.00 H new ATOM 0 HG2 LYS A 105 22.184 -5.656 -5.596 1.00 1.00 H new ATOM 0 HG3 LYS A 105 22.238 -6.233 -7.249 1.00 1.00 H new ATOM 0 HD2 LYS A 105 21.231 -4.343 -7.992 1.00 1.00 H new ATOM 0 HD3 LYS A 105 19.858 -4.616 -6.937 1.00 1.00 H new ATOM 0 HE2 LYS A 105 20.626 -2.579 -6.094 1.00 1.00 H new ATOM 0 HE3 LYS A 105 21.486 -3.688 -5.045 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 23.183 -2.372 -5.762 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 23.255 -3.581 -6.952 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 22.500 -2.098 -7.293 1.00 1.00 H new ATOM 648 N ASN A 106 22.446 -6.896 -3.540 1.00 1.00 N ATOM 649 CA ASN A 106 23.616 -7.415 -2.853 1.00 1.00 C ATOM 650 C ASN A 106 24.152 -6.351 -1.893 1.00 1.00 C ATOM 651 O ASN A 106 25.235 -5.808 -2.105 1.00 1.00 O ATOM 652 CB ASN A 106 24.729 -7.761 -3.845 1.00 1.00 C ATOM 653 CG ASN A 106 26.033 -8.087 -3.114 1.00 1.00 C ATOM 654 OD1 ASN A 106 27.019 -7.374 -3.203 1.00 1.00 O ATOM 655 ND2 ASN A 106 25.982 -9.200 -2.388 1.00 1.00 N ATOM 0 H ASN A 106 22.450 -5.887 -3.687 1.00 1.00 H new ATOM 0 HA ASN A 106 23.320 -8.316 -2.315 1.00 1.00 H new ATOM 0 HB2 ASN A 106 24.426 -8.613 -4.454 1.00 1.00 H new ATOM 0 HB3 ASN A 106 24.888 -6.924 -4.525 1.00 1.00 H new ATOM 0 HD21 ASN A 106 26.801 -9.503 -1.861 1.00 1.00 H new ATOM 0 HD22 ASN A 106 25.124 -9.750 -2.358 1.00 1.00 H new ATOM 662 N GLY A 107 23.369 -6.085 -0.858 1.00 1.00 N ATOM 663 CA GLY A 107 23.752 -5.096 0.135 1.00 1.00 C ATOM 664 C GLY A 107 22.526 -4.569 0.884 1.00 1.00 C ATOM 665 O GLY A 107 21.399 -4.702 0.410 1.00 1.00 O ATOM 0 H GLY A 107 22.471 -6.537 -0.686 1.00 1.00 H new ATOM 0 HA2 GLY A 107 24.453 -5.538 0.843 1.00 1.00 H new ATOM 0 HA3 GLY A 107 24.269 -4.269 -0.351 1.00 1.00 H new ATOM 669 N GLN A 108 22.788 -3.981 2.043 1.00 1.00 N ATOM 670 CA GLN A 108 21.720 -3.433 2.862 1.00 1.00 C ATOM 671 C GLN A 108 22.246 -2.276 3.714 1.00 1.00 C ATOM 672 O GLN A 108 23.404 -2.281 4.128 1.00 1.00 O ATOM 673 CB GLN A 108 21.090 -4.517 3.738 1.00 1.00 C ATOM 674 CG GLN A 108 19.739 -4.059 4.291 1.00 1.00 C ATOM 675 CD GLN A 108 19.312 -4.922 5.480 1.00 1.00 C ATOM 676 OE1 GLN A 108 20.027 -5.802 5.930 1.00 1.00 O ATOM 677 NE2 GLN A 108 18.108 -4.623 5.961 1.00 1.00 N ATOM 0 H GLN A 108 23.724 -3.872 2.434 1.00 1.00 H new ATOM 0 HA GLN A 108 20.942 -3.049 2.202 1.00 1.00 H new ATOM 0 HB2 GLN A 108 20.958 -5.429 3.156 1.00 1.00 H new ATOM 0 HB3 GLN A 108 21.761 -4.759 4.562 1.00 1.00 H new ATOM 0 HG2 GLN A 108 19.803 -3.015 4.599 1.00 1.00 H new ATOM 0 HG3 GLN A 108 18.984 -4.114 3.507 1.00 1.00 H new ATOM 0 HE21 GLN A 108 17.561 -3.874 5.537 1.00 1.00 H new ATOM 0 HE22 GLN A 108 17.732 -5.143 6.754 1.00 1.00 H new ATOM 686 N GLY A 109 21.368 -1.312 3.952 1.00 1.00 N ATOM 687 CA GLY A 109 21.729 -0.152 4.748 1.00 1.00 C ATOM 688 C GLY A 109 20.531 0.781 4.932 1.00 1.00 C ATOM 689 O GLY A 109 19.396 0.404 4.646 1.00 1.00 O ATOM 0 H GLY A 109 20.408 -1.311 3.607 1.00 1.00 H new ATOM 0 HA2 GLY A 109 22.096 -0.475 5.722 1.00 1.00 H new ATOM 0 HA3 GLY A 109 22.543 0.387 4.263 1.00 1.00 H new ATOM 693 N TRP A 110 20.824 1.982 5.409 1.00 1.00 N ATOM 694 CA TRP A 110 19.785 2.973 5.634 1.00 1.00 C ATOM 695 C TRP A 110 19.575 3.743 4.329 1.00 1.00 C ATOM 696 O TRP A 110 20.503 3.892 3.535 1.00 1.00 O ATOM 697 CB TRP A 110 20.139 3.880 6.813 1.00 1.00 C ATOM 698 CG TRP A 110 19.626 3.375 8.163 1.00 1.00 C ATOM 699 CD1 TRP A 110 20.304 2.706 9.106 1.00 1.00 C ATOM 700 CD2 TRP A 110 18.289 3.527 8.686 1.00 1.00 C ATOM 701 NE1 TRP A 110 19.505 2.417 10.193 1.00 1.00 N ATOM 702 CE2 TRP A 110 18.242 2.932 9.931 1.00 1.00 C ATOM 703 CE3 TRP A 110 17.158 4.148 8.127 1.00 1.00 C ATOM 704 CZ2 TRP A 110 17.086 2.898 10.720 1.00 1.00 C ATOM 705 CZ3 TRP A 110 16.011 4.105 8.929 1.00 1.00 C ATOM 706 CH2 TRP A 110 15.947 3.510 10.183 1.00 1.00 C ATOM 0 H TRP A 110 21.767 2.291 5.646 1.00 1.00 H new ATOM 0 HA TRP A 110 18.846 2.492 5.909 1.00 1.00 H new ATOM 0 HB2 TRP A 110 21.223 3.986 6.864 1.00 1.00 H new ATOM 0 HB3 TRP A 110 19.730 4.874 6.629 1.00 1.00 H new ATOM 0 HD1 TRP A 110 21.345 2.428 9.025 1.00 1.00 H new ATOM 0 HE1 TRP A 110 19.790 1.917 11.035 1.00 1.00 H new ATOM 0 HE3 TRP A 110 17.173 4.621 7.156 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 17.074 2.425 11.691 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 15.113 4.567 8.546 1.00 1.00 H new ATOM 0 HH2 TRP A 110 15.022 3.520 10.741 1.00 1.00 H new ATOM 717 N VAL A 111 18.349 4.212 4.146 1.00 1.00 N ATOM 718 CA VAL A 111 18.006 4.963 2.951 1.00 1.00 C ATOM 719 C VAL A 111 16.942 6.007 3.298 1.00 1.00 C ATOM 720 O VAL A 111 15.925 5.682 3.909 1.00 1.00 O ATOM 721 CB VAL A 111 17.565 4.007 1.841 1.00 1.00 C ATOM 722 CG1 VAL A 111 18.317 2.678 1.932 1.00 1.00 C ATOM 723 CG2 VAL A 111 16.052 3.785 1.877 1.00 1.00 C ATOM 0 H VAL A 111 17.581 4.086 4.806 1.00 1.00 H new ATOM 0 HA VAL A 111 18.877 5.499 2.574 1.00 1.00 H new ATOM 0 HB VAL A 111 17.813 4.467 0.884 1.00 1.00 H new ATOM 0 HG11 VAL A 111 17.985 2.017 1.132 1.00 1.00 H new ATOM 0 HG12 VAL A 111 19.387 2.858 1.833 1.00 1.00 H new ATOM 0 HG13 VAL A 111 18.115 2.211 2.896 1.00 1.00 H new ATOM 0 HG21 VAL A 111 15.765 3.102 1.078 1.00 1.00 H new ATOM 0 HG22 VAL A 111 15.770 3.357 2.839 1.00 1.00 H new ATOM 0 HG23 VAL A 111 15.541 4.738 1.740 1.00 1.00 H new ATOM 733 N PRO A 112 17.220 7.272 2.883 1.00 1.00 N ATOM 734 CA PRO A 112 16.299 8.365 3.143 1.00 1.00 C ATOM 735 C PRO A 112 15.084 8.291 2.216 1.00 1.00 C ATOM 736 O PRO A 112 15.213 7.938 1.044 1.00 1.00 O ATOM 737 CB PRO A 112 17.121 9.628 2.945 1.00 1.00 C ATOM 738 CG PRO A 112 18.337 9.211 2.133 1.00 1.00 C ATOM 739 CD PRO A 112 18.415 7.693 2.157 1.00 1.00 C ATOM 0 HA PRO A 112 15.881 8.332 4.149 1.00 1.00 H new ATOM 0 HB2 PRO A 112 16.545 10.391 2.422 1.00 1.00 H new ATOM 0 HB3 PRO A 112 17.419 10.055 3.903 1.00 1.00 H new ATOM 0 HG2 PRO A 112 18.254 9.573 1.108 1.00 1.00 H new ATOM 0 HG3 PRO A 112 19.244 9.647 2.552 1.00 1.00 H new ATOM 0 HD2 PRO A 112 18.431 7.281 1.148 1.00 1.00 H new ATOM 0 HD3 PRO A 112 19.322 7.351 2.655 1.00 1.00 H new ATOM 747 N SER A 113 13.932 8.628 2.775 1.00 1.00 N ATOM 748 CA SER A 113 12.695 8.605 2.013 1.00 1.00 C ATOM 749 C SER A 113 12.635 9.811 1.075 1.00 1.00 C ATOM 750 O SER A 113 11.941 9.779 0.059 1.00 1.00 O ATOM 751 CB SER A 113 11.477 8.592 2.940 1.00 1.00 C ATOM 752 OG SER A 113 10.341 7.997 2.320 1.00 1.00 O ATOM 0 H SER A 113 13.829 8.919 3.747 1.00 1.00 H new ATOM 0 HA SER A 113 12.676 7.691 1.420 1.00 1.00 H new ATOM 0 HB2 SER A 113 11.721 8.045 3.851 1.00 1.00 H new ATOM 0 HB3 SER A 113 11.235 9.613 3.236 1.00 1.00 H new ATOM 0 HG SER A 113 9.585 8.006 2.944 1.00 1.00 H new ATOM 758 N ASN A 114 13.371 10.848 1.447 1.00 1.00 N ATOM 759 CA ASN A 114 13.411 12.063 0.651 1.00 1.00 C ATOM 760 C ASN A 114 14.155 11.786 -0.656 1.00 1.00 C ATOM 761 O ASN A 114 14.171 12.626 -1.555 1.00 1.00 O ATOM 762 CB ASN A 114 14.151 13.181 1.389 1.00 1.00 C ATOM 763 CG ASN A 114 15.403 12.644 2.084 1.00 1.00 C ATOM 764 OD1 ASN A 114 16.449 12.460 1.482 1.00 1.00 O ATOM 765 ND2 ASN A 114 15.240 12.402 3.382 1.00 1.00 N ATOM 0 H ASN A 114 13.945 10.872 2.290 1.00 1.00 H new ATOM 0 HA ASN A 114 12.384 12.375 0.460 1.00 1.00 H new ATOM 0 HB2 ASN A 114 14.430 13.964 0.684 1.00 1.00 H new ATOM 0 HB3 ASN A 114 13.489 13.636 2.126 1.00 1.00 H new ATOM 0 HD21 ASN A 114 16.017 12.040 3.935 1.00 1.00 H new ATOM 0 HD22 ASN A 114 14.338 12.578 3.824 1.00 1.00 H new ATOM 772 N TYR A 115 14.753 10.606 -0.722 1.00 1.00 N ATOM 773 CA TYR A 115 15.497 10.208 -1.905 1.00 1.00 C ATOM 774 C TYR A 115 14.748 9.126 -2.686 1.00 1.00 C ATOM 775 O TYR A 115 15.037 8.889 -3.857 1.00 1.00 O ATOM 776 CB TYR A 115 16.820 9.631 -1.397 1.00 1.00 C ATOM 777 CG TYR A 115 18.026 10.543 -1.627 1.00 1.00 C ATOM 778 CD1 TYR A 115 18.673 10.537 -2.846 1.00 1.00 C ATOM 779 CD2 TYR A 115 18.467 11.372 -0.616 1.00 1.00 C ATOM 780 CE1 TYR A 115 19.809 11.396 -3.063 1.00 1.00 C ATOM 781 CE2 TYR A 115 19.603 12.231 -0.832 1.00 1.00 C ATOM 782 CZ TYR A 115 20.217 12.201 -2.045 1.00 1.00 C ATOM 783 OH TYR A 115 21.290 13.012 -2.250 1.00 1.00 O ATOM 0 H TYR A 115 14.738 9.912 0.025 1.00 1.00 H new ATOM 0 HA TYR A 115 15.641 11.058 -2.572 1.00 1.00 H new ATOM 0 HB2 TYR A 115 16.730 9.427 -0.330 1.00 1.00 H new ATOM 0 HB3 TYR A 115 17.001 8.676 -1.890 1.00 1.00 H new ATOM 0 HD1 TYR A 115 18.328 9.888 -3.637 1.00 1.00 H new ATOM 0 HD2 TYR A 115 17.960 11.377 0.338 1.00 1.00 H new ATOM 0 HE1 TYR A 115 20.325 11.401 -4.012 1.00 1.00 H new ATOM 0 HE2 TYR A 115 19.959 12.884 -0.049 1.00 1.00 H new ATOM 0 HH TYR A 115 21.468 13.531 -1.438 1.00 1.00 H new ATOM 793 N ILE A 116 13.800 8.499 -2.004 1.00 1.00 N ATOM 794 CA ILE A 116 13.008 7.448 -2.619 1.00 1.00 C ATOM 795 C ILE A 116 11.550 7.904 -2.715 1.00 1.00 C ATOM 796 O ILE A 116 11.071 8.645 -1.859 1.00 1.00 O ATOM 797 CB ILE A 116 13.191 6.128 -1.867 1.00 1.00 C ATOM 798 CG1 ILE A 116 14.675 5.785 -1.715 1.00 1.00 C ATOM 799 CG2 ILE A 116 12.408 5.000 -2.539 1.00 1.00 C ATOM 800 CD1 ILE A 116 14.921 4.963 -0.449 1.00 1.00 C ATOM 0 H ILE A 116 13.563 8.699 -1.032 1.00 1.00 H new ATOM 0 HA ILE A 116 13.351 7.258 -3.636 1.00 1.00 H new ATOM 0 HB ILE A 116 12.783 6.248 -0.863 1.00 1.00 H new ATOM 0 HG12 ILE A 116 15.014 5.226 -2.587 1.00 1.00 H new ATOM 0 HG13 ILE A 116 15.262 6.703 -1.677 1.00 1.00 H new ATOM 0 HG21 ILE A 116 12.556 4.074 -1.984 1.00 1.00 H new ATOM 0 HG22 ILE A 116 11.347 5.250 -2.551 1.00 1.00 H new ATOM 0 HG23 ILE A 116 12.762 4.871 -3.562 1.00 1.00 H new ATOM 0 HD11 ILE A 116 15.983 4.733 -0.365 1.00 1.00 H new ATOM 0 HD12 ILE A 116 14.604 5.534 0.423 1.00 1.00 H new ATOM 0 HD13 ILE A 116 14.352 4.035 -0.501 1.00 1.00 H new ATOM 812 N THR A 117 10.887 7.441 -3.765 1.00 1.00 N ATOM 813 CA THR A 117 9.494 7.792 -3.984 1.00 1.00 C ATOM 814 C THR A 117 8.639 6.530 -4.107 1.00 1.00 C ATOM 815 O THR A 117 9.156 5.452 -4.399 1.00 1.00 O ATOM 816 CB THR A 117 9.422 8.698 -5.215 1.00 1.00 C ATOM 817 OG1 THR A 117 8.225 8.294 -5.873 1.00 1.00 O ATOM 818 CG2 THR A 117 10.526 8.394 -6.230 1.00 1.00 C ATOM 0 H THR A 117 11.289 6.826 -4.473 1.00 1.00 H new ATOM 0 HA THR A 117 9.086 8.341 -3.135 1.00 1.00 H new ATOM 0 HB THR A 117 9.492 9.740 -4.904 1.00 1.00 H new ATOM 0 HG1 THR A 117 8.099 8.832 -6.683 1.00 1.00 H new ATOM 0 HG21 THR A 117 10.430 9.064 -7.084 1.00 1.00 H new ATOM 0 HG22 THR A 117 11.500 8.539 -5.763 1.00 1.00 H new ATOM 0 HG23 THR A 117 10.436 7.361 -6.567 1.00 1.00 H new ATOM 826 N PRO A 118 7.312 6.709 -3.873 1.00 1.00 N ATOM 827 CA PRO A 118 6.380 5.597 -3.955 1.00 1.00 C ATOM 828 C PRO A 118 6.107 5.217 -5.411 1.00 1.00 C ATOM 829 O PRO A 118 6.549 5.906 -6.330 1.00 1.00 O ATOM 830 CB PRO A 118 5.136 6.071 -3.221 1.00 1.00 C ATOM 831 CG PRO A 118 5.240 7.586 -3.160 1.00 1.00 C ATOM 832 CD PRO A 118 6.665 7.971 -3.524 1.00 1.00 C ATOM 0 HA PRO A 118 6.771 4.686 -3.501 1.00 1.00 H new ATOM 0 HB2 PRO A 118 4.232 5.762 -3.746 1.00 1.00 H new ATOM 0 HB3 PRO A 118 5.086 5.642 -2.220 1.00 1.00 H new ATOM 0 HG2 PRO A 118 4.532 8.045 -3.850 1.00 1.00 H new ATOM 0 HG3 PRO A 118 4.991 7.946 -2.162 1.00 1.00 H new ATOM 0 HD2 PRO A 118 6.685 8.671 -4.360 1.00 1.00 H new ATOM 0 HD3 PRO A 118 7.170 8.457 -2.689 1.00 1.00 H new ATOM 840 N VAL A 119 5.379 4.123 -5.578 1.00 1.00 N ATOM 841 CA VAL A 119 5.041 3.643 -6.907 1.00 1.00 C ATOM 842 C VAL A 119 3.900 4.490 -7.475 1.00 1.00 C ATOM 843 O VAL A 119 4.087 5.667 -7.777 1.00 1.00 O ATOM 844 CB VAL A 119 4.710 2.150 -6.856 1.00 1.00 C ATOM 845 CG1 VAL A 119 4.311 1.630 -8.239 1.00 1.00 C ATOM 846 CG2 VAL A 119 5.881 1.348 -6.286 1.00 1.00 C ATOM 0 H VAL A 119 5.013 3.555 -4.814 1.00 1.00 H new ATOM 0 HA VAL A 119 5.892 3.750 -7.580 1.00 1.00 H new ATOM 0 HB VAL A 119 3.858 2.018 -6.189 1.00 1.00 H new ATOM 0 HG11 VAL A 119 4.081 0.566 -8.175 1.00 1.00 H new ATOM 0 HG12 VAL A 119 3.433 2.171 -8.592 1.00 1.00 H new ATOM 0 HG13 VAL A 119 5.135 1.782 -8.936 1.00 1.00 H new ATOM 0 HG21 VAL A 119 5.619 0.290 -6.261 1.00 1.00 H new ATOM 0 HG22 VAL A 119 6.760 1.490 -6.915 1.00 1.00 H new ATOM 0 HG23 VAL A 119 6.100 1.692 -5.275 1.00 1.00 H new ATOM 856 N SER A 120 2.743 3.857 -7.604 1.00 1.00 N ATOM 857 CA SER A 120 1.573 4.537 -8.131 1.00 1.00 C ATOM 858 C SER A 120 0.459 4.550 -7.081 1.00 1.00 C ATOM 859 O SER A 120 -0.654 4.990 -7.441 1.00 1.00 O ATOM 860 CB SER A 120 1.081 3.871 -9.417 1.00 1.00 C ATOM 861 OG SER A 120 0.533 2.579 -9.174 1.00 1.00 O ATOM 862 OXT SER A 120 0.672 4.142 -5.940 1.00 1.00 O ATOM 0 H SER A 120 2.591 2.880 -7.352 1.00 1.00 H new ATOM 0 HA SER A 120 1.852 5.563 -8.369 1.00 1.00 H new ATOM 0 HB2 SER A 120 0.326 4.502 -9.886 1.00 1.00 H new ATOM 0 HB3 SER A 120 1.909 3.787 -10.121 1.00 1.00 H new ATOM 0 HG SER A 120 0.229 2.188 -10.020 1.00 1.00 H new TER 868 SER A 120