USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 366 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 37 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ -158:sc= -2.41! (180deg=-3.94!) USER MOD Single : A 3 ASN : amide:sc= -7.53! C(o=-7.5!,f=-16!) USER MOD Single : A 4 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.011) USER MOD Single : A 5 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 60:sc= -2.56 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.21) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.341 K(o=-0.34,f=-2.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 7.769 5.090 -4.608 1.00 0.00 N ATOM 2 CA PHE A 1 6.903 4.048 -3.988 1.00 0.00 C ATOM 3 C PHE A 1 7.309 3.868 -2.520 1.00 0.00 C ATOM 4 O PHE A 1 6.574 3.312 -1.727 1.00 0.00 O ATOM 5 CB PHE A 1 7.068 2.731 -4.769 1.00 0.00 C ATOM 6 CG PHE A 1 6.949 1.536 -3.847 1.00 0.00 C ATOM 7 CD1 PHE A 1 5.700 1.171 -3.325 1.00 0.00 C ATOM 8 CD2 PHE A 1 8.091 0.795 -3.513 1.00 0.00 C ATOM 9 CE1 PHE A 1 5.595 0.065 -2.470 1.00 0.00 C ATOM 10 CE2 PHE A 1 7.985 -0.310 -2.659 1.00 0.00 C ATOM 11 CZ PHE A 1 6.739 -0.675 -2.138 1.00 0.00 C ATOM 0 H1 PHE A 1 7.293 5.485 -5.444 1.00 0.00 H new ATOM 0 H2 PHE A 1 7.946 5.849 -3.919 1.00 0.00 H new ATOM 0 H3 PHE A 1 8.674 4.664 -4.894 1.00 0.00 H new ATOM 0 HA PHE A 1 5.856 4.348 -4.025 1.00 0.00 H new ATOM 0 HB2 PHE A 1 6.310 2.669 -5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 1 8.038 2.717 -5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 1 4.819 1.741 -3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 1 9.053 1.076 -3.914 1.00 0.00 H new ATOM 0 HE1 PHE A 1 4.633 -0.217 -2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 1 8.865 -0.880 -2.403 1.00 0.00 H new ATOM 0 HZ PHE A 1 6.658 -1.527 -1.480 1.00 0.00 H new ATOM 23 N VAL A 2 8.471 4.332 -2.151 1.00 0.00 N ATOM 24 CA VAL A 2 8.913 4.185 -0.736 1.00 0.00 C ATOM 25 C VAL A 2 8.348 5.338 0.096 1.00 0.00 C ATOM 26 O VAL A 2 8.453 5.351 1.306 1.00 0.00 O ATOM 27 CB VAL A 2 10.442 4.200 -0.666 1.00 0.00 C ATOM 28 CG1 VAL A 2 10.985 2.832 -1.082 1.00 0.00 C ATOM 29 CG2 VAL A 2 10.991 5.270 -1.611 1.00 0.00 C ATOM 0 H VAL A 2 9.132 4.806 -2.767 1.00 0.00 H new ATOM 0 HA VAL A 2 8.547 3.238 -0.340 1.00 0.00 H new ATOM 0 HB VAL A 2 10.753 4.423 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.074 2.842 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.598 2.067 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.670 2.610 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.080 5.278 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.678 5.049 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.607 6.247 -1.317 1.00 0.00 H new ATOM 39 N ASN A 3 7.744 6.307 -0.540 1.00 0.00 N ATOM 40 CA ASN A 3 7.172 7.451 0.223 1.00 0.00 C ATOM 41 C ASN A 3 6.678 8.528 -0.746 1.00 0.00 C ATOM 42 O ASN A 3 6.822 9.708 -0.499 1.00 0.00 O ATOM 43 CB ASN A 3 8.252 8.043 1.132 1.00 0.00 C ATOM 44 CG ASN A 3 9.539 8.244 0.331 1.00 0.00 C ATOM 45 OD1 ASN A 3 10.173 7.288 -0.072 1.00 0.00 O ATOM 46 ND2 ASN A 3 9.957 9.455 0.082 1.00 0.00 N ATOM 0 H ASN A 3 7.623 6.354 -1.552 1.00 0.00 H new ATOM 0 HA ASN A 3 6.334 7.099 0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.915 8.994 1.543 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.436 7.378 1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 3 10.815 9.599 -0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.426 10.257 0.420 1.00 0.00 H new ATOM 53 N GLN A 4 6.095 8.135 -1.847 1.00 0.00 N ATOM 54 CA GLN A 4 5.593 9.147 -2.820 1.00 0.00 C ATOM 55 C GLN A 4 4.134 8.847 -3.170 1.00 0.00 C ATOM 56 O GLN A 4 3.523 7.956 -2.614 1.00 0.00 O ATOM 57 CB GLN A 4 6.447 9.106 -4.091 1.00 0.00 C ATOM 58 CG GLN A 4 6.144 7.832 -4.883 1.00 0.00 C ATOM 59 CD GLN A 4 6.734 7.954 -6.290 1.00 0.00 C ATOM 60 OE1 GLN A 4 7.936 8.047 -6.452 1.00 0.00 O ATOM 61 NE2 GLN A 4 5.935 7.960 -7.323 1.00 0.00 N ATOM 0 H GLN A 4 5.945 7.162 -2.113 1.00 0.00 H new ATOM 0 HA GLN A 4 5.658 10.139 -2.373 1.00 0.00 H new ATOM 0 HB2 GLN A 4 6.243 9.983 -4.705 1.00 0.00 H new ATOM 0 HB3 GLN A 4 7.505 9.139 -3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.566 6.965 -4.374 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.067 7.674 -4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 4 4.927 7.882 -7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 4 6.319 8.043 -8.264 1.00 0.00 H new ATOM 70 N HIS A 5 3.571 9.588 -4.086 1.00 0.00 N ATOM 71 CA HIS A 5 2.151 9.350 -4.471 1.00 0.00 C ATOM 72 C HIS A 5 1.968 7.888 -4.884 1.00 0.00 C ATOM 73 O HIS A 5 2.875 7.255 -5.382 1.00 0.00 O ATOM 74 CB HIS A 5 1.783 10.260 -5.644 1.00 0.00 C ATOM 75 CG HIS A 5 2.204 11.670 -5.331 1.00 0.00 C ATOM 76 ND1 HIS A 5 2.947 12.415 -6.223 1.00 0.00 N ATOM 77 CD2 HIS A 5 1.986 12.450 -4.229 1.00 0.00 C ATOM 78 CE1 HIS A 5 3.155 13.607 -5.648 1.00 0.00 C ATOM 79 NE2 HIS A 5 2.587 13.675 -4.426 1.00 0.00 N ATOM 0 H HIS A 5 4.034 10.348 -4.584 1.00 0.00 H new ATOM 0 HA HIS A 5 1.504 9.569 -3.621 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.274 9.915 -6.554 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.709 10.221 -5.826 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.434 12.155 -3.349 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.709 14.413 -6.106 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.600 14.467 -3.783 1.00 0.00 H new ATOM 87 N LEU A 6 0.796 7.352 -4.680 1.00 0.00 N ATOM 88 CA LEU A 6 0.547 5.932 -5.058 1.00 0.00 C ATOM 89 C LEU A 6 -0.925 5.765 -5.431 1.00 0.00 C ATOM 90 O LEU A 6 -1.267 5.473 -6.560 1.00 0.00 O ATOM 91 CB LEU A 6 0.886 5.029 -3.869 1.00 0.00 C ATOM 92 CG LEU A 6 1.766 3.870 -4.339 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.171 4.388 -4.644 1.00 0.00 C ATOM 94 CD2 LEU A 6 1.842 2.812 -3.235 1.00 0.00 C ATOM 0 H LEU A 6 -0.001 7.837 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 6 1.170 5.657 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.403 5.603 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.029 4.645 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 6 1.338 3.429 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.799 3.562 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.118 5.144 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.600 4.828 -3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.469 1.984 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.271 3.254 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.840 2.443 -3.015 1.00 0.00 H new ATOM 106 N CYS A 7 -1.793 5.965 -4.487 1.00 0.00 N ATOM 107 CA CYS A 7 -3.255 5.839 -4.757 1.00 0.00 C ATOM 108 C CYS A 7 -3.592 4.419 -5.220 1.00 0.00 C ATOM 109 O CYS A 7 -2.780 3.745 -5.819 1.00 0.00 O ATOM 110 CB CYS A 7 -3.663 6.839 -5.841 1.00 0.00 C ATOM 111 SG CYS A 7 -5.316 7.478 -5.471 1.00 0.00 S ATOM 0 H CYS A 7 -1.554 6.214 -3.527 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.801 6.049 -3.838 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.945 7.658 -5.886 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.657 6.356 -6.818 1.00 0.00 H new ATOM 116 N GLY A 8 -4.793 3.974 -4.921 1.00 0.00 N ATOM 117 CA GLY A 8 -5.257 2.596 -5.301 1.00 0.00 C ATOM 118 C GLY A 8 -4.439 2.020 -6.461 1.00 0.00 C ATOM 119 O GLY A 8 -3.820 0.984 -6.333 1.00 0.00 O ATOM 0 H GLY A 8 -5.489 4.523 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.179 1.935 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.310 2.631 -5.581 1.00 0.00 H new ATOM 123 N SER A 9 -4.440 2.672 -7.592 1.00 0.00 N ATOM 124 CA SER A 9 -3.672 2.144 -8.755 1.00 0.00 C ATOM 125 C SER A 9 -2.311 1.629 -8.286 1.00 0.00 C ATOM 126 O SER A 9 -2.098 0.440 -8.159 1.00 0.00 O ATOM 127 CB SER A 9 -3.474 3.255 -9.787 1.00 0.00 C ATOM 128 OG SER A 9 -2.649 2.774 -10.839 1.00 0.00 O ATOM 0 H SER A 9 -4.938 3.546 -7.761 1.00 0.00 H new ATOM 0 HA SER A 9 -4.228 1.324 -9.209 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.438 3.576 -10.182 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.015 4.126 -9.318 1.00 0.00 H new ATOM 0 HG SER A 9 -2.520 3.482 -11.504 1.00 0.00 H new ATOM 134 N ASP A 10 -1.386 2.510 -8.026 1.00 0.00 N ATOM 135 CA ASP A 10 -0.044 2.056 -7.565 1.00 0.00 C ATOM 136 C ASP A 10 -0.156 1.504 -6.140 1.00 0.00 C ATOM 137 O ASP A 10 0.782 0.945 -5.605 1.00 0.00 O ATOM 138 CB ASP A 10 0.929 3.237 -7.583 1.00 0.00 C ATOM 139 CG ASP A 10 1.375 3.511 -9.021 1.00 0.00 C ATOM 140 OD1 ASP A 10 0.536 3.447 -9.904 1.00 0.00 O ATOM 141 OD2 ASP A 10 2.550 3.781 -9.213 1.00 0.00 O ATOM 0 H ASP A 10 -1.500 3.520 -8.112 1.00 0.00 H new ATOM 0 HA ASP A 10 0.325 1.274 -8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.450 4.122 -7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.795 3.018 -6.958 1.00 0.00 H new ATOM 146 N LEU A 11 -1.297 1.656 -5.523 1.00 0.00 N ATOM 147 CA LEU A 11 -1.475 1.147 -4.131 1.00 0.00 C ATOM 148 C LEU A 11 -1.535 -0.382 -4.137 1.00 0.00 C ATOM 149 O LEU A 11 -0.754 -1.046 -3.484 1.00 0.00 O ATOM 150 CB LEU A 11 -2.790 1.686 -3.562 1.00 0.00 C ATOM 151 CG LEU A 11 -2.545 2.418 -2.239 1.00 0.00 C ATOM 152 CD1 LEU A 11 -1.570 1.620 -1.375 1.00 0.00 C ATOM 153 CD2 LEU A 11 -1.960 3.802 -2.523 1.00 0.00 C ATOM 0 H LEU A 11 -2.116 2.112 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.634 1.478 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.252 2.365 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.489 0.864 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.491 2.523 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.401 2.147 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.989 0.635 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.623 1.508 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.785 4.323 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.017 3.695 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.660 4.375 -3.131 1.00 0.00 H new ATOM 165 N VAL A 12 -2.469 -0.946 -4.854 1.00 0.00 N ATOM 166 CA VAL A 12 -2.592 -2.431 -4.883 1.00 0.00 C ATOM 167 C VAL A 12 -1.517 -3.028 -5.798 1.00 0.00 C ATOM 168 O VAL A 12 -0.953 -4.066 -5.512 1.00 0.00 O ATOM 169 CB VAL A 12 -3.991 -2.816 -5.385 1.00 0.00 C ATOM 170 CG1 VAL A 12 -5.028 -1.859 -4.807 1.00 0.00 C ATOM 171 CG2 VAL A 12 -4.042 -2.745 -6.910 1.00 0.00 C ATOM 0 H VAL A 12 -3.152 -0.443 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.450 -2.827 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.209 -3.834 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.019 -2.136 -5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.008 -1.915 -3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.799 -0.841 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.039 -3.020 -7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.813 -1.730 -7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.310 -3.434 -7.331 1.00 0.00 H new ATOM 181 N GLU A 13 -1.227 -2.383 -6.894 1.00 0.00 N ATOM 182 CA GLU A 13 -0.188 -2.919 -7.819 1.00 0.00 C ATOM 183 C GLU A 13 1.132 -3.076 -7.060 1.00 0.00 C ATOM 184 O GLU A 13 1.965 -3.895 -7.400 1.00 0.00 O ATOM 185 CB GLU A 13 0.003 -1.950 -8.986 1.00 0.00 C ATOM 186 CG GLU A 13 0.774 -2.646 -10.109 1.00 0.00 C ATOM 187 CD GLU A 13 2.178 -2.047 -10.211 1.00 0.00 C ATOM 188 OE1 GLU A 13 2.919 -2.155 -9.248 1.00 0.00 O ATOM 189 OE2 GLU A 13 2.489 -1.489 -11.251 1.00 0.00 O ATOM 0 H GLU A 13 -1.663 -1.510 -7.189 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.504 -3.889 -8.203 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.966 -1.610 -9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.546 -1.065 -8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.837 -3.716 -9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.246 -2.526 -11.055 1.00 0.00 H new ATOM 196 N ALA A 14 1.325 -2.305 -6.028 1.00 0.00 N ATOM 197 CA ALA A 14 2.580 -2.413 -5.244 1.00 0.00 C ATOM 198 C ALA A 14 2.386 -3.468 -4.163 1.00 0.00 C ATOM 199 O ALA A 14 3.077 -4.457 -4.148 1.00 0.00 O ATOM 200 CB ALA A 14 2.916 -1.062 -4.608 1.00 0.00 C ATOM 0 H ALA A 14 0.664 -1.603 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 14 3.404 -2.700 -5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.839 -1.149 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.045 -0.314 -5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.104 -0.759 -3.946 1.00 0.00 H new ATOM 206 N LEU A 15 1.432 -3.287 -3.277 1.00 0.00 N ATOM 207 CA LEU A 15 1.182 -4.320 -2.222 1.00 0.00 C ATOM 208 C LEU A 15 1.345 -5.694 -2.864 1.00 0.00 C ATOM 209 O LEU A 15 1.790 -6.642 -2.249 1.00 0.00 O ATOM 210 CB LEU A 15 -0.242 -4.172 -1.685 1.00 0.00 C ATOM 211 CG LEU A 15 -0.335 -2.915 -0.821 1.00 0.00 C ATOM 212 CD1 LEU A 15 -1.800 -2.507 -0.670 1.00 0.00 C ATOM 213 CD2 LEU A 15 0.260 -3.201 0.560 1.00 0.00 C ATOM 0 H LEU A 15 0.819 -2.472 -3.240 1.00 0.00 H new ATOM 0 HA LEU A 15 1.883 -4.198 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.949 -4.110 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.514 -5.050 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 15 0.220 -2.106 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.866 -1.610 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.224 -2.304 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.356 -3.316 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.194 -2.305 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.295 -4.010 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.305 -3.492 0.453 1.00 0.00 H new ATOM 225 N TYR A 16 1.024 -5.777 -4.126 1.00 0.00 N ATOM 226 CA TYR A 16 1.193 -7.050 -4.864 1.00 0.00 C ATOM 227 C TYR A 16 2.696 -7.290 -5.019 1.00 0.00 C ATOM 228 O TYR A 16 3.223 -8.304 -4.604 1.00 0.00 O ATOM 229 CB TYR A 16 0.512 -6.915 -6.239 1.00 0.00 C ATOM 230 CG TYR A 16 1.321 -7.610 -7.313 1.00 0.00 C ATOM 231 CD1 TYR A 16 2.325 -6.913 -8.002 1.00 0.00 C ATOM 232 CD2 TYR A 16 1.064 -8.950 -7.614 1.00 0.00 C ATOM 233 CE1 TYR A 16 3.070 -7.564 -8.995 1.00 0.00 C ATOM 234 CE2 TYR A 16 1.809 -9.601 -8.606 1.00 0.00 C ATOM 235 CZ TYR A 16 2.812 -8.908 -9.297 1.00 0.00 C ATOM 236 OH TYR A 16 3.545 -9.550 -10.273 1.00 0.00 O ATOM 0 H TYR A 16 0.648 -5.006 -4.679 1.00 0.00 H new ATOM 0 HA TYR A 16 0.740 -7.890 -4.337 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.489 -7.344 -6.197 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.397 -5.861 -6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.523 -5.878 -7.768 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.291 -9.484 -7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.843 -7.030 -9.527 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.610 -10.637 -8.838 1.00 0.00 H new ATOM 0 HH TYR A 16 3.239 -10.477 -10.355 1.00 0.00 H new ATOM 246 N LEU A 17 3.396 -6.346 -5.595 1.00 0.00 N ATOM 247 CA LEU A 17 4.869 -6.517 -5.752 1.00 0.00 C ATOM 248 C LEU A 17 5.534 -6.359 -4.383 1.00 0.00 C ATOM 249 O LEU A 17 6.698 -6.658 -4.205 1.00 0.00 O ATOM 250 CB LEU A 17 5.414 -5.459 -6.713 1.00 0.00 C ATOM 251 CG LEU A 17 6.659 -6.006 -7.415 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.324 -6.331 -8.872 1.00 0.00 C ATOM 253 CD2 LEU A 17 7.772 -4.957 -7.367 1.00 0.00 C ATOM 0 H LEU A 17 3.015 -5.473 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 17 5.083 -7.506 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.655 -5.194 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.661 -4.548 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 17 6.992 -6.913 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.211 -6.720 -9.371 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.531 -7.079 -8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.990 -5.426 -9.379 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.660 -5.345 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.439 -4.050 -7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.011 -4.728 -6.329 1.00 0.00 H new ATOM 265 N VAL A 18 4.797 -5.887 -3.414 1.00 0.00 N ATOM 266 CA VAL A 18 5.364 -5.702 -2.053 1.00 0.00 C ATOM 267 C VAL A 18 5.433 -7.049 -1.347 1.00 0.00 C ATOM 268 O VAL A 18 6.368 -7.346 -0.630 1.00 0.00 O ATOM 269 CB VAL A 18 4.458 -4.763 -1.256 1.00 0.00 C ATOM 270 CG1 VAL A 18 5.074 -4.493 0.112 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.305 -3.443 -2.009 1.00 0.00 C ATOM 0 H VAL A 18 3.817 -5.620 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 18 6.365 -5.276 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 18 3.481 -5.229 -1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.426 -3.823 0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.185 -5.433 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.052 -4.029 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.659 -2.773 -1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.284 -2.981 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.862 -3.631 -2.987 1.00 0.00 H new ATOM 281 N CYS A 19 4.443 -7.864 -1.544 1.00 0.00 N ATOM 282 CA CYS A 19 4.431 -9.200 -0.884 1.00 0.00 C ATOM 283 C CYS A 19 4.873 -10.268 -1.885 1.00 0.00 C ATOM 284 O CYS A 19 5.968 -10.789 -1.807 1.00 0.00 O ATOM 285 CB CYS A 19 3.016 -9.516 -0.394 1.00 0.00 C ATOM 286 SG CYS A 19 2.904 -9.181 1.382 1.00 0.00 S ATOM 0 H CYS A 19 3.636 -7.666 -2.135 1.00 0.00 H new ATOM 0 HA CYS A 19 5.116 -9.191 -0.036 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.289 -8.911 -0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.775 -10.560 -0.594 1.00 0.00 H new ATOM 291 N GLY A 20 4.030 -10.600 -2.823 1.00 0.00 N ATOM 292 CA GLY A 20 4.407 -11.637 -3.825 1.00 0.00 C ATOM 293 C GLY A 20 3.287 -11.796 -4.855 1.00 0.00 C ATOM 294 O GLY A 20 3.320 -11.207 -5.918 1.00 0.00 O ATOM 0 H GLY A 20 3.099 -10.200 -2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.334 -11.354 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.591 -12.588 -3.325 1.00 0.00 H new ATOM 298 N GLU A 21 2.298 -12.594 -4.556 1.00 0.00 N ATOM 299 CA GLU A 21 1.185 -12.791 -5.526 1.00 0.00 C ATOM 300 C GLU A 21 -0.057 -13.316 -4.801 1.00 0.00 C ATOM 301 O GLU A 21 -0.625 -14.321 -5.179 1.00 0.00 O ATOM 302 CB GLU A 21 1.615 -13.805 -6.587 1.00 0.00 C ATOM 303 CG GLU A 21 1.048 -13.396 -7.949 1.00 0.00 C ATOM 304 CD GLU A 21 1.054 -14.605 -8.886 1.00 0.00 C ATOM 305 OE1 GLU A 21 1.958 -15.415 -8.771 1.00 0.00 O ATOM 306 OE2 GLU A 21 0.153 -14.699 -9.704 1.00 0.00 O ATOM 0 H GLU A 21 2.213 -13.116 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 21 0.948 -11.837 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.703 -13.857 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.260 -14.800 -6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.033 -13.017 -7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.643 -12.589 -8.375 1.00 0.00 H new ATOM 313 N ARG A 22 -0.491 -12.644 -3.767 1.00 0.00 N ATOM 314 CA ARG A 22 -1.701 -13.113 -3.033 1.00 0.00 C ATOM 315 C ARG A 22 -2.842 -12.116 -3.248 1.00 0.00 C ATOM 316 O ARG A 22 -4.004 -12.469 -3.207 1.00 0.00 O ATOM 317 CB ARG A 22 -1.393 -13.222 -1.539 1.00 0.00 C ATOM 318 CG ARG A 22 -1.965 -14.534 -0.993 1.00 0.00 C ATOM 319 CD ARG A 22 -0.848 -15.349 -0.341 1.00 0.00 C ATOM 320 NE ARG A 22 -1.243 -16.784 -0.288 1.00 0.00 N ATOM 321 CZ ARG A 22 -0.335 -17.715 -0.396 1.00 0.00 C ATOM 322 NH1 ARG A 22 0.902 -17.458 -0.069 1.00 0.00 N ATOM 323 NH2 ARG A 22 -0.661 -18.901 -0.831 1.00 0.00 N ATOM 0 H ARG A 22 -0.061 -11.794 -3.401 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.994 -14.093 -3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.316 -13.187 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.824 -12.375 -1.005 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.749 -14.325 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.423 -15.106 -1.800 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.076 -15.236 -0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.653 -14.978 0.665 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.223 -17.039 -0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.158 -16.531 0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.613 -18.184 -0.153 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.627 -19.102 -1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.051 -19.627 -0.915 1.00 0.00 H new ATOM 337 N GLY A 23 -2.520 -10.872 -3.478 1.00 0.00 N ATOM 338 CA GLY A 23 -3.585 -9.854 -3.699 1.00 0.00 C ATOM 339 C GLY A 23 -3.834 -9.077 -2.406 1.00 0.00 C ATOM 340 O GLY A 23 -4.901 -8.537 -2.197 1.00 0.00 O ATOM 0 H GLY A 23 -1.565 -10.517 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.288 -9.170 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.504 -10.341 -4.025 1.00 0.00 H new ATOM 344 N PHE A 24 -2.854 -9.015 -1.540 1.00 0.00 N ATOM 345 CA PHE A 24 -3.028 -8.272 -0.255 1.00 0.00 C ATOM 346 C PHE A 24 -4.419 -8.550 0.315 1.00 0.00 C ATOM 347 O PHE A 24 -5.104 -9.463 -0.102 1.00 0.00 O ATOM 348 CB PHE A 24 -2.861 -6.760 -0.483 1.00 0.00 C ATOM 349 CG PHE A 24 -3.013 -6.435 -1.949 1.00 0.00 C ATOM 350 CD1 PHE A 24 -1.898 -6.479 -2.796 1.00 0.00 C ATOM 351 CD2 PHE A 24 -4.268 -6.085 -2.460 1.00 0.00 C ATOM 352 CE1 PHE A 24 -2.041 -6.176 -4.156 1.00 0.00 C ATOM 353 CE2 PHE A 24 -4.410 -5.784 -3.819 1.00 0.00 C ATOM 354 CZ PHE A 24 -3.296 -5.828 -4.666 1.00 0.00 C ATOM 0 H PHE A 24 -1.939 -9.448 -1.668 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.268 -8.609 0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.604 -6.213 0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.881 -6.438 -0.131 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.929 -6.746 -2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.126 -6.047 -1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.183 -6.211 -4.811 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.379 -5.518 -4.215 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.406 -5.593 -5.714 1.00 0.00 H new ATOM 364 N PHE A 25 -4.841 -7.772 1.269 1.00 0.00 N ATOM 365 CA PHE A 25 -6.187 -7.994 1.863 1.00 0.00 C ATOM 366 C PHE A 25 -7.071 -6.770 1.596 1.00 0.00 C ATOM 367 O PHE A 25 -7.989 -6.479 2.338 1.00 0.00 O ATOM 368 CB PHE A 25 -6.047 -8.253 3.374 1.00 0.00 C ATOM 369 CG PHE A 25 -6.130 -6.959 4.158 1.00 0.00 C ATOM 370 CD1 PHE A 25 -5.241 -5.913 3.882 1.00 0.00 C ATOM 371 CD2 PHE A 25 -7.097 -6.809 5.162 1.00 0.00 C ATOM 372 CE1 PHE A 25 -5.319 -4.717 4.608 1.00 0.00 C ATOM 373 CE2 PHE A 25 -7.175 -5.613 5.887 1.00 0.00 C ATOM 374 CZ PHE A 25 -6.286 -4.566 5.611 1.00 0.00 C ATOM 0 H PHE A 25 -4.314 -6.993 1.663 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.656 -8.866 1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.832 -8.933 3.704 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.095 -8.744 3.576 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.495 -6.028 3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.782 -7.616 5.377 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.633 -3.911 4.394 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.921 -5.498 6.659 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.346 -3.644 6.170 1.00 0.00 H new ATOM 384 N TYR A 26 -6.802 -6.054 0.537 1.00 0.00 N ATOM 385 CA TYR A 26 -7.627 -4.852 0.215 1.00 0.00 C ATOM 386 C TYR A 26 -9.107 -5.208 0.379 1.00 0.00 C ATOM 387 O TYR A 26 -9.726 -5.755 -0.513 1.00 0.00 O ATOM 388 CB TYR A 26 -7.357 -4.415 -1.232 1.00 0.00 C ATOM 389 CG TYR A 26 -6.538 -3.142 -1.242 1.00 0.00 C ATOM 390 CD1 TYR A 26 -6.962 -2.032 -0.500 1.00 0.00 C ATOM 391 CD2 TYR A 26 -5.351 -3.072 -1.986 1.00 0.00 C ATOM 392 CE1 TYR A 26 -6.203 -0.854 -0.505 1.00 0.00 C ATOM 393 CE2 TYR A 26 -4.591 -1.896 -1.988 1.00 0.00 C ATOM 394 CZ TYR A 26 -5.016 -0.787 -1.248 1.00 0.00 C ATOM 395 OH TYR A 26 -4.266 0.372 -1.249 1.00 0.00 O ATOM 0 H TYR A 26 -6.046 -6.249 -0.120 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.368 -4.034 0.888 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.826 -5.203 -1.766 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.300 -4.255 -1.755 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.874 -2.084 0.076 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.023 -3.927 -2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.533 0.003 0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.677 -1.845 -2.561 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.985 0.580 -0.334 1.00 0.00 H new ATOM 405 N THR A 27 -9.678 -4.912 1.517 1.00 0.00 N ATOM 406 CA THR A 27 -11.116 -5.243 1.739 1.00 0.00 C ATOM 407 C THR A 27 -11.924 -3.956 1.913 1.00 0.00 C ATOM 408 O THR A 27 -11.777 -3.247 2.889 1.00 0.00 O ATOM 409 CB THR A 27 -11.252 -6.099 2.999 1.00 0.00 C ATOM 410 OG1 THR A 27 -12.608 -6.493 3.157 1.00 0.00 O ATOM 411 CG2 THR A 27 -10.811 -5.287 4.218 1.00 0.00 C ATOM 0 H THR A 27 -9.211 -4.456 2.301 1.00 0.00 H new ATOM 0 HA THR A 27 -11.494 -5.793 0.877 1.00 0.00 H new ATOM 0 HB THR A 27 -10.623 -6.985 2.907 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.697 -7.043 3.963 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.908 -5.897 5.116 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.771 -4.983 4.096 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.439 -4.401 4.312 1.00 0.00 H new ATOM 419 N ASP A 28 -12.777 -3.650 0.973 1.00 0.00 N ATOM 420 CA ASP A 28 -13.598 -2.410 1.081 1.00 0.00 C ATOM 421 C ASP A 28 -12.691 -1.180 0.985 1.00 0.00 C ATOM 422 O ASP A 28 -13.133 -0.062 1.161 1.00 0.00 O ATOM 423 CB ASP A 28 -14.331 -2.400 2.427 1.00 0.00 C ATOM 424 CG ASP A 28 -15.796 -2.793 2.221 1.00 0.00 C ATOM 425 OD1 ASP A 28 -16.077 -3.980 2.233 1.00 0.00 O ATOM 426 OD2 ASP A 28 -16.610 -1.900 2.059 1.00 0.00 O ATOM 0 H ASP A 28 -12.941 -4.206 0.134 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.325 -2.386 0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.852 -3.094 3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.270 -1.409 2.877 1.00 0.00 H new ATOM 431 N LYS A 29 -11.426 -1.380 0.711 1.00 0.00 N ATOM 432 CA LYS A 29 -10.477 -0.241 0.605 1.00 0.00 C ATOM 433 C LYS A 29 -10.805 0.834 1.632 1.00 0.00 C ATOM 434 O LYS A 29 -11.142 1.951 1.291 1.00 0.00 O ATOM 435 CB LYS A 29 -10.526 0.374 -0.789 1.00 0.00 C ATOM 436 CG LYS A 29 -11.978 0.542 -1.234 1.00 0.00 C ATOM 437 CD LYS A 29 -12.013 1.329 -2.545 1.00 0.00 C ATOM 438 CE LYS A 29 -13.329 1.055 -3.273 1.00 0.00 C ATOM 439 NZ LYS A 29 -13.067 0.908 -4.731 1.00 0.00 N ATOM 0 H LYS A 29 -11.010 -2.298 0.555 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.476 -0.629 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.023 1.341 -0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.992 -0.262 -1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.445 -0.434 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.548 1.065 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.913 2.395 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.171 1.043 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.791 0.149 -2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.030 1.871 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.962 0.722 -5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.644 1.784 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.412 0.115 -4.888 1.00 0.00 H new ATOM 453 N GLY A 30 -10.652 0.530 2.890 1.00 0.00 N ATOM 454 CA GLY A 30 -10.897 1.562 3.931 1.00 0.00 C ATOM 455 C GLY A 30 -9.590 2.338 4.115 1.00 0.00 C ATOM 456 O GLY A 30 -9.364 2.983 5.120 1.00 0.00 O ATOM 0 H GLY A 30 -10.369 -0.385 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.702 2.231 3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.204 1.098 4.868 1.00 0.00 H new ATOM 460 N ILE A 31 -8.722 2.254 3.139 1.00 0.00 N ATOM 461 CA ILE A 31 -7.414 2.945 3.209 1.00 0.00 C ATOM 462 C ILE A 31 -7.114 3.508 1.808 1.00 0.00 C ATOM 463 O ILE A 31 -8.022 3.744 1.038 1.00 0.00 O ATOM 464 CB ILE A 31 -6.368 1.905 3.627 1.00 0.00 C ATOM 465 CG1 ILE A 31 -5.086 2.599 4.102 1.00 0.00 C ATOM 466 CG2 ILE A 31 -6.063 0.987 2.438 1.00 0.00 C ATOM 467 CD1 ILE A 31 -4.635 1.989 5.430 1.00 0.00 C ATOM 0 H ILE A 31 -8.875 1.723 2.282 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.408 3.764 3.928 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.762 1.311 4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.301 2.487 3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.262 3.668 4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.319 0.246 2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.976 0.480 2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.676 1.581 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.724 2.483 5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.418 2.124 6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.442 0.925 5.295 1.00 0.00 H new ATOM 479 N VAL A 32 -5.868 3.730 1.469 1.00 0.00 N ATOM 480 CA VAL A 32 -5.535 4.276 0.125 1.00 0.00 C ATOM 481 C VAL A 32 -5.666 5.800 0.168 1.00 0.00 C ATOM 482 O VAL A 32 -5.304 6.491 -0.763 1.00 0.00 O ATOM 483 CB VAL A 32 -6.468 3.658 -0.940 1.00 0.00 C ATOM 484 CG1 VAL A 32 -7.578 4.638 -1.342 1.00 0.00 C ATOM 485 CG2 VAL A 32 -5.647 3.291 -2.178 1.00 0.00 C ATOM 0 H VAL A 32 -5.065 3.554 2.073 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.511 4.019 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.932 2.768 -0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.218 4.175 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.173 4.893 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.132 5.543 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.302 2.854 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.176 4.188 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.878 2.569 -1.904 1.00 0.00 H new ATOM 495 N GLU A 33 -6.174 6.328 1.249 1.00 0.00 N ATOM 496 CA GLU A 33 -6.314 7.801 1.351 1.00 0.00 C ATOM 497 C GLU A 33 -5.080 8.374 2.050 1.00 0.00 C ATOM 498 O GLU A 33 -4.936 9.572 2.193 1.00 0.00 O ATOM 499 CB GLU A 33 -7.569 8.152 2.156 1.00 0.00 C ATOM 500 CG GLU A 33 -8.636 7.076 1.941 1.00 0.00 C ATOM 501 CD GLU A 33 -9.958 7.536 2.557 1.00 0.00 C ATOM 502 OE1 GLU A 33 -10.219 8.728 2.528 1.00 0.00 O ATOM 503 OE2 GLU A 33 -10.687 6.691 3.047 1.00 0.00 O ATOM 0 H GLU A 33 -6.496 5.801 2.061 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.403 8.227 0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.324 8.229 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.952 9.125 1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.766 6.886 0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.318 6.138 2.396 1.00 0.00 H new ATOM 510 N GLN A 34 -4.187 7.525 2.488 1.00 0.00 N ATOM 511 CA GLN A 34 -2.963 8.018 3.179 1.00 0.00 C ATOM 512 C GLN A 34 -1.767 7.915 2.231 1.00 0.00 C ATOM 513 O GLN A 34 -0.718 8.477 2.475 1.00 0.00 O ATOM 514 CB GLN A 34 -2.703 7.167 4.423 1.00 0.00 C ATOM 515 CG GLN A 34 -2.620 8.072 5.652 1.00 0.00 C ATOM 516 CD GLN A 34 -3.970 8.757 5.875 1.00 0.00 C ATOM 517 OE1 GLN A 34 -4.934 8.118 6.245 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.079 10.041 5.665 1.00 0.00 N ATOM 0 H GLN A 34 -4.254 6.511 2.396 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.105 9.058 3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.502 6.436 4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.775 6.608 4.307 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.348 7.486 6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.839 8.820 5.514 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.269 10.578 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.974 10.508 5.812 1.00 0.00 H new ATOM 527 N CYS A 35 -1.917 7.205 1.147 1.00 0.00 N ATOM 528 CA CYS A 35 -0.788 7.072 0.184 1.00 0.00 C ATOM 529 C CYS A 35 -1.230 7.583 -1.190 1.00 0.00 C ATOM 530 O CYS A 35 -0.514 7.468 -2.164 1.00 0.00 O ATOM 531 CB CYS A 35 -0.373 5.602 0.072 1.00 0.00 C ATOM 532 SG CYS A 35 -0.154 4.905 1.729 1.00 0.00 S ATOM 0 H CYS A 35 -2.771 6.712 0.887 1.00 0.00 H new ATOM 0 HA CYS A 35 0.060 7.659 0.538 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.132 5.040 -0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.554 5.518 -0.495 1.00 0.00 H new ATOM 537 N CYS A 36 -2.406 8.149 -1.278 1.00 0.00 N ATOM 538 CA CYS A 36 -2.888 8.666 -2.592 1.00 0.00 C ATOM 539 C CYS A 36 -2.636 10.173 -2.670 1.00 0.00 C ATOM 540 O CYS A 36 -2.035 10.663 -3.606 1.00 0.00 O ATOM 541 CB CYS A 36 -4.386 8.391 -2.733 1.00 0.00 C ATOM 542 SG CYS A 36 -4.980 9.088 -4.296 1.00 0.00 S ATOM 0 H CYS A 36 -3.051 8.275 -0.498 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.351 8.165 -3.397 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.574 7.318 -2.706 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.928 8.831 -1.896 1.00 0.00 H new ATOM 547 N THR A 37 -3.084 10.913 -1.693 1.00 0.00 N ATOM 548 CA THR A 37 -2.859 12.389 -1.715 1.00 0.00 C ATOM 549 C THR A 37 -1.652 12.721 -0.839 1.00 0.00 C ATOM 550 O THR A 37 -0.698 13.330 -1.283 1.00 0.00 O ATOM 551 CB THR A 37 -4.095 13.133 -1.186 1.00 0.00 C ATOM 552 OG1 THR A 37 -3.674 14.268 -0.445 1.00 0.00 O ATOM 553 CG2 THR A 37 -4.924 12.217 -0.283 1.00 0.00 C ATOM 0 H THR A 37 -3.595 10.562 -0.883 1.00 0.00 H new ATOM 0 HA THR A 37 -2.677 12.705 -2.742 1.00 0.00 H new ATOM 0 HB THR A 37 -4.710 13.444 -2.030 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.459 14.747 -0.107 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.796 12.759 0.083 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.251 11.346 -0.850 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.317 11.893 0.562 1.00 0.00 H new ATOM 561 N SER A 38 -1.681 12.315 0.399 1.00 0.00 N ATOM 562 CA SER A 38 -0.531 12.594 1.303 1.00 0.00 C ATOM 563 C SER A 38 0.450 11.421 1.233 1.00 0.00 C ATOM 564 O SER A 38 0.187 10.422 0.593 1.00 0.00 O ATOM 565 CB SER A 38 -1.034 12.751 2.739 1.00 0.00 C ATOM 566 OG SER A 38 -1.734 13.981 2.860 1.00 0.00 O ATOM 0 H SER A 38 -2.453 11.801 0.825 1.00 0.00 H new ATOM 0 HA SER A 38 -0.034 13.513 0.994 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.689 11.920 3.000 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.195 12.727 3.435 1.00 0.00 H new ATOM 0 HG SER A 38 -2.059 14.083 3.779 1.00 0.00 H new ATOM 572 N ILE A 39 1.575 11.529 1.881 1.00 0.00 N ATOM 573 CA ILE A 39 2.558 10.411 1.844 1.00 0.00 C ATOM 574 C ILE A 39 2.426 9.579 3.120 1.00 0.00 C ATOM 575 O ILE A 39 2.247 10.108 4.200 1.00 0.00 O ATOM 576 CB ILE A 39 3.973 10.976 1.735 1.00 0.00 C ATOM 577 CG1 ILE A 39 4.001 12.058 0.653 1.00 0.00 C ATOM 578 CG2 ILE A 39 4.943 9.855 1.355 1.00 0.00 C ATOM 579 CD1 ILE A 39 3.430 11.490 -0.647 1.00 0.00 C ATOM 0 H ILE A 39 1.856 12.339 2.433 1.00 0.00 H new ATOM 0 HA ILE A 39 2.360 9.778 0.979 1.00 0.00 H new ATOM 0 HB ILE A 39 4.270 11.404 2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.419 12.922 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.023 12.403 0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.953 10.258 1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.920 9.079 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.648 9.428 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.449 12.259 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.031 10.639 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.402 11.166 -0.482 1.00 0.00 H new ATOM 591 N CYS A 40 2.502 8.282 3.006 1.00 0.00 N ATOM 592 CA CYS A 40 2.372 7.422 4.216 1.00 0.00 C ATOM 593 C CYS A 40 3.742 6.825 4.574 1.00 0.00 C ATOM 594 O CYS A 40 4.678 7.546 4.863 1.00 0.00 O ATOM 595 CB CYS A 40 1.348 6.311 3.945 1.00 0.00 C ATOM 596 SG CYS A 40 1.658 5.577 2.319 1.00 0.00 S ATOM 0 H CYS A 40 2.648 7.781 2.130 1.00 0.00 H new ATOM 0 HA CYS A 40 2.024 8.019 5.059 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.414 5.546 4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.337 6.717 3.984 1.00 0.00 H new ATOM 601 N SER A 41 3.881 5.524 4.563 1.00 0.00 N ATOM 602 CA SER A 41 5.190 4.914 4.905 1.00 0.00 C ATOM 603 C SER A 41 5.215 3.477 4.389 1.00 0.00 C ATOM 604 O SER A 41 4.695 2.579 5.021 1.00 0.00 O ATOM 605 CB SER A 41 5.379 4.920 6.424 1.00 0.00 C ATOM 606 OG SER A 41 6.671 5.424 6.734 1.00 0.00 O ATOM 0 H SER A 41 3.141 4.862 4.331 1.00 0.00 H new ATOM 0 HA SER A 41 5.996 5.485 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.613 5.536 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.265 3.911 6.820 1.00 0.00 H new ATOM 0 HG SER A 41 6.795 5.431 7.706 1.00 0.00 H new ATOM 612 N LEU A 42 5.802 3.271 3.240 1.00 0.00 N ATOM 613 CA LEU A 42 5.880 1.902 2.632 1.00 0.00 C ATOM 614 C LEU A 42 5.878 0.829 3.726 1.00 0.00 C ATOM 615 O LEU A 42 5.252 -0.205 3.594 1.00 0.00 O ATOM 616 CB LEU A 42 7.176 1.785 1.816 1.00 0.00 C ATOM 617 CG LEU A 42 7.298 0.379 1.211 1.00 0.00 C ATOM 618 CD1 LEU A 42 7.775 -0.608 2.281 1.00 0.00 C ATOM 619 CD2 LEU A 42 5.937 -0.074 0.672 1.00 0.00 C ATOM 0 H LEU A 42 6.240 4.005 2.684 1.00 0.00 H new ATOM 0 HA LEU A 42 5.014 1.753 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.183 2.532 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.036 1.990 2.454 1.00 0.00 H new ATOM 0 HG LEU A 42 8.021 0.406 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.860 -1.604 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.748 -0.293 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.057 -0.630 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.029 -1.072 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.212 -0.094 1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.601 0.621 -0.097 1.00 0.00 H new ATOM 631 N TYR A 43 6.574 1.065 4.804 1.00 0.00 N ATOM 632 CA TYR A 43 6.613 0.058 5.903 1.00 0.00 C ATOM 633 C TYR A 43 5.186 -0.375 6.251 1.00 0.00 C ATOM 634 O TYR A 43 4.835 -1.534 6.145 1.00 0.00 O ATOM 635 CB TYR A 43 7.274 0.679 7.138 1.00 0.00 C ATOM 636 CG TYR A 43 8.330 -0.257 7.680 1.00 0.00 C ATOM 637 CD1 TYR A 43 9.301 -0.792 6.821 1.00 0.00 C ATOM 638 CD2 TYR A 43 8.342 -0.589 9.042 1.00 0.00 C ATOM 639 CE1 TYR A 43 10.282 -1.658 7.323 1.00 0.00 C ATOM 640 CE2 TYR A 43 9.323 -1.455 9.544 1.00 0.00 C ATOM 641 CZ TYR A 43 10.293 -1.990 8.685 1.00 0.00 C ATOM 642 OH TYR A 43 11.261 -2.840 9.180 1.00 0.00 O ATOM 0 H TYR A 43 7.118 1.912 4.972 1.00 0.00 H new ATOM 0 HA TYR A 43 7.187 -0.811 5.580 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.724 1.637 6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 43 6.523 0.876 7.903 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.293 -0.536 5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.595 -0.177 9.705 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.029 -2.069 6.661 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.332 -1.710 10.593 1.00 0.00 H new ATOM 0 HH TYR A 43 11.126 -2.965 10.143 1.00 0.00 H new ATOM 652 N GLN A 44 4.361 0.547 6.667 1.00 0.00 N ATOM 653 CA GLN A 44 2.959 0.190 7.024 1.00 0.00 C ATOM 654 C GLN A 44 2.240 -0.380 5.798 1.00 0.00 C ATOM 655 O GLN A 44 1.423 -1.273 5.906 1.00 0.00 O ATOM 656 CB GLN A 44 2.226 1.441 7.509 1.00 0.00 C ATOM 657 CG GLN A 44 1.715 1.215 8.934 1.00 0.00 C ATOM 658 CD GLN A 44 2.842 1.489 9.932 1.00 0.00 C ATOM 659 OE1 GLN A 44 3.335 0.582 10.573 1.00 0.00 O ATOM 660 NE2 GLN A 44 3.272 2.711 10.094 1.00 0.00 N ATOM 0 H GLN A 44 4.598 1.533 6.775 1.00 0.00 H new ATOM 0 HA GLN A 44 2.968 -0.560 7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.896 2.300 7.484 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.392 1.667 6.844 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.869 1.872 9.136 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.358 0.191 9.045 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.858 3.473 9.556 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.021 2.904 10.758 1.00 0.00 H new ATOM 669 N LEU A 45 2.536 0.130 4.633 1.00 0.00 N ATOM 670 CA LEU A 45 1.869 -0.383 3.402 1.00 0.00 C ATOM 671 C LEU A 45 2.121 -1.888 3.274 1.00 0.00 C ATOM 672 O LEU A 45 1.222 -2.660 3.002 1.00 0.00 O ATOM 673 CB LEU A 45 2.439 0.341 2.179 1.00 0.00 C ATOM 674 CG LEU A 45 1.742 -0.154 0.912 1.00 0.00 C ATOM 675 CD1 LEU A 45 1.626 0.999 -0.087 1.00 0.00 C ATOM 676 CD2 LEU A 45 2.564 -1.283 0.286 1.00 0.00 C ATOM 0 H LEU A 45 3.211 0.880 4.481 1.00 0.00 H new ATOM 0 HA LEU A 45 0.796 -0.202 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.300 1.417 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.512 0.164 2.108 1.00 0.00 H new ATOM 0 HG LEU A 45 0.748 -0.522 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.129 0.648 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.044 1.807 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.622 1.364 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.068 -1.637 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.557 -0.913 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.653 -2.105 0.996 1.00 0.00 H new ATOM 688 N GLU A 46 3.340 -2.310 3.472 1.00 0.00 N ATOM 689 CA GLU A 46 3.661 -3.762 3.367 1.00 0.00 C ATOM 690 C GLU A 46 2.840 -4.553 4.392 1.00 0.00 C ATOM 691 O GLU A 46 2.767 -5.765 4.337 1.00 0.00 O ATOM 692 CB GLU A 46 5.152 -3.964 3.646 1.00 0.00 C ATOM 693 CG GLU A 46 5.663 -5.163 2.848 1.00 0.00 C ATOM 694 CD GLU A 46 6.416 -6.112 3.778 1.00 0.00 C ATOM 695 OE1 GLU A 46 7.514 -5.767 4.181 1.00 0.00 O ATOM 696 OE2 GLU A 46 5.882 -7.170 4.071 1.00 0.00 O ATOM 0 H GLU A 46 4.131 -1.709 3.703 1.00 0.00 H new ATOM 0 HA GLU A 46 3.418 -4.116 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.709 -3.068 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.314 -4.127 4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.828 -5.683 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.320 -4.826 2.046 1.00 0.00 H new ATOM 703 N ASN A 47 2.224 -3.882 5.326 1.00 0.00 N ATOM 704 CA ASN A 47 1.414 -4.603 6.352 1.00 0.00 C ATOM 705 C ASN A 47 -0.008 -4.834 5.829 1.00 0.00 C ATOM 706 O ASN A 47 -0.957 -4.852 6.588 1.00 0.00 O ATOM 707 CB ASN A 47 1.349 -3.765 7.631 1.00 0.00 C ATOM 708 CG ASN A 47 2.328 -4.324 8.663 1.00 0.00 C ATOM 709 OD1 ASN A 47 2.666 -5.491 8.628 1.00 0.00 O ATOM 710 ND2 ASN A 47 2.800 -3.537 9.592 1.00 0.00 N ATOM 0 H ASN A 47 2.246 -2.867 5.424 1.00 0.00 H new ATOM 0 HA ASN A 47 1.882 -5.565 6.563 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.593 -2.726 7.409 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.336 -3.776 8.033 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.451 -3.902 10.287 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.517 -2.557 9.623 1.00 0.00 H new ATOM 717 N TYR A 48 -0.171 -5.012 4.545 1.00 0.00 N ATOM 718 CA TYR A 48 -1.536 -5.241 3.997 1.00 0.00 C ATOM 719 C TYR A 48 -1.504 -6.417 3.019 1.00 0.00 C ATOM 720 O TYR A 48 -2.175 -6.411 2.006 1.00 0.00 O ATOM 721 CB TYR A 48 -2.006 -3.981 3.267 1.00 0.00 C ATOM 722 CG TYR A 48 -2.003 -2.813 4.226 1.00 0.00 C ATOM 723 CD1 TYR A 48 -2.665 -2.916 5.458 1.00 0.00 C ATOM 724 CD2 TYR A 48 -1.337 -1.629 3.886 1.00 0.00 C ATOM 725 CE1 TYR A 48 -2.659 -1.835 6.349 1.00 0.00 C ATOM 726 CE2 TYR A 48 -1.331 -0.547 4.778 1.00 0.00 C ATOM 727 CZ TYR A 48 -1.993 -0.650 6.009 1.00 0.00 C ATOM 728 OH TYR A 48 -1.988 0.415 6.888 1.00 0.00 O ATOM 0 H TYR A 48 0.580 -5.008 3.855 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.223 -5.468 4.812 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.351 -3.772 2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.008 -4.133 2.865 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.179 -3.829 5.720 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.828 -1.549 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.168 -1.915 7.298 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.816 0.366 4.516 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.481 1.158 6.499 1.00 0.00 H new ATOM 738 N CYS A 49 -0.729 -7.428 3.312 1.00 0.00 N ATOM 739 CA CYS A 49 -0.662 -8.600 2.392 1.00 0.00 C ATOM 740 C CYS A 49 0.099 -9.745 3.064 1.00 0.00 C ATOM 741 O CYS A 49 0.494 -9.656 4.209 1.00 0.00 O ATOM 742 CB CYS A 49 0.059 -8.197 1.105 1.00 0.00 C ATOM 743 SG CYS A 49 1.704 -7.561 1.508 1.00 0.00 S ATOM 0 H CYS A 49 -0.143 -7.493 4.144 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.674 -8.930 2.157 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.143 -9.055 0.439 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.517 -7.437 0.576 1.00 0.00 H new ATOM 748 N ASN A 50 0.307 -10.823 2.356 1.00 0.00 N ATOM 749 CA ASN A 50 1.042 -11.976 2.947 1.00 0.00 C ATOM 750 C ASN A 50 2.180 -12.389 2.012 1.00 0.00 C ATOM 751 O ASN A 50 3.233 -12.746 2.514 1.00 0.00 O ATOM 752 CB ASN A 50 0.081 -13.152 3.127 1.00 0.00 C ATOM 753 CG ASN A 50 -1.218 -12.656 3.763 1.00 0.00 C ATOM 754 OD1 ASN A 50 -1.401 -12.760 4.961 1.00 0.00 O ATOM 755 ND2 ASN A 50 -2.134 -12.115 3.008 1.00 0.00 N ATOM 756 OXT ASN A 50 1.977 -12.344 0.810 1.00 0.00 O ATOM 0 H ASN A 50 -0.001 -10.954 1.393 1.00 0.00 H new ATOM 0 HA ASN A 50 1.453 -11.688 3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.128 -13.616 2.163 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.538 -13.916 3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.004 -11.779 3.422 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.981 -12.028 2.003 1.00 0.00 H new TER 763 ASN A 50