USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 628 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 1 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.1) USER MOD Single : A 1 HIS N :NH3+ -157:sc= 0.0792 (180deg=-0.206) USER MOD Single : A 2 HIS : no HE2:sc= -2.88! C(o=-2.9!,f=-12!) USER MOD Single : A 3 SER OG : rot 180:sc= -0.076 USER MOD Single : A 6 HIS : no HE2:sc= 0.61 K(o=0.61,f=-4.5!) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= -0.646 (180deg=-1.14!) USER MOD Single : A 16 ASN : amide:sc= 0.053 X(o=0.053,f=-0.17) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.3 F(o=-6.2!,f=-1.3) USER MOD Single : A 24 SER OG : rot 91:sc= 0.976 USER MOD Single : A 27 HIS : no HE2:sc= -0.173 K(o=-0.17,f=-0.9) USER MOD Single : A 31 SER OG : rot 97:sc= 1.22 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0511 F(o=-2.4!,f=-0.051) USER MOD Single : A 39 LYS NZ :NH3+ 131:sc= 2.7 (180deg=-0.186) USER MOD Single : A 42 SER OG : rot -61:sc= 0.181 USER MOD Single : A 44 THR OG1 : rot 2:sc= 0.539 USER MOD Single : A 45 GLN :FLIP amide:sc= -0.0137 F(o=-0.57,f=-0.014) USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= 1.35 (180deg=0.276) USER MOD Single : A 49 HIS : no HE2:sc= 0.607 K(o=0.61,f=-3.9!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.139 USER MOD Single : A 51 THR OG1 : rot 41:sc= 0.556 USER MOD Single : A 57 LYS NZ :NH3+ -132:sc= 0.386 (180deg=-2.45!) USER MOD Single : A 70 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.19) USER MOD Single : A 71 ASN : amide:sc= -2.49! C(o=-2.5!,f=-18!) USER MOD Single : A 74 GLN : amide:sc= -0.75 K(o=-0.75,f=-4.4!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -3.02! C(o=-3!,f=-5.6!) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.412 F(o=-1.6!,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 17.330 1.709 -15.037 1.00 15.10 N ATOM 2 CA HIS A 1 16.509 2.559 -15.950 1.00 13.97 C ATOM 3 C HIS A 1 16.023 3.752 -15.137 1.00 13.29 C ATOM 4 O HIS A 1 16.449 3.923 -14.015 1.00 13.91 O ATOM 5 CB HIS A 1 15.286 1.788 -16.472 1.00 13.71 C ATOM 6 CG HIS A 1 15.567 0.311 -16.733 1.00 14.56 C ATOM 7 ND1 HIS A 1 16.336 -0.078 -17.712 1.00 15.25 N ATOM 8 CD2 HIS A 1 15.174 -0.820 -16.068 1.00 15.18 C ATOM 9 CE1 HIS A 1 16.435 -1.388 -17.671 1.00 16.14 C ATOM 10 NE2 HIS A 1 15.723 -1.833 -16.667 1.00 16.06 N ATOM 0 H1 HIS A 1 17.983 1.126 -15.599 1.00 15.10 H new ATOM 0 H2 HIS A 1 17.875 2.317 -14.393 1.00 15.10 H new ATOM 0 H3 HIS A 1 16.704 1.091 -14.482 1.00 15.10 H new ATOM 0 HA HIS A 1 17.110 2.865 -16.807 1.00 13.97 H new ATOM 0 HB2 HIS A 1 14.476 1.874 -15.748 1.00 13.71 H new ATOM 0 HB3 HIS A 1 14.939 2.253 -17.395 1.00 13.71 H new ATOM 0 HD2 HIS A 1 14.527 -0.862 -15.204 1.00 15.18 H new ATOM 0 HE1 HIS A 1 17.009 -1.997 -18.353 1.00 16.14 H new ATOM 0 HE2 HIS A 1 15.617 -2.812 -16.400 1.00 16.06 H new ATOM 20 N HIS A 2 15.135 4.524 -15.690 1.00 12.42 N ATOM 21 CA HIS A 2 14.612 5.699 -14.940 1.00 12.24 C ATOM 22 C HIS A 2 13.146 5.423 -14.590 1.00 12.04 C ATOM 23 O HIS A 2 12.639 4.348 -14.863 1.00 12.38 O ATOM 24 CB HIS A 2 14.740 6.950 -15.822 1.00 12.07 C ATOM 25 CG HIS A 2 14.283 8.238 -15.136 1.00 12.22 C ATOM 26 ND1 HIS A 2 13.037 8.613 -15.174 1.00 11.85 N ATOM 27 CD2 HIS A 2 14.947 9.165 -14.375 1.00 13.20 C ATOM 28 CE1 HIS A 2 12.906 9.717 -14.477 1.00 12.66 C ATOM 29 NE2 HIS A 2 14.075 10.048 -13.992 1.00 13.46 N ATOM 0 H HIS A 2 14.749 4.395 -16.625 1.00 12.42 H new ATOM 0 HA HIS A 2 15.176 5.866 -14.022 1.00 12.24 H new ATOM 0 HB2 HIS A 2 15.780 7.062 -16.129 1.00 12.07 H new ATOM 0 HB3 HIS A 2 14.154 6.805 -16.729 1.00 12.07 H new ATOM 0 HD1 HIS A 2 12.286 8.128 -15.665 1.00 11.85 H new ATOM 0 HD2 HIS A 2 16.001 9.162 -14.138 1.00 13.20 H new ATOM 0 HE1 HIS A 2 11.986 10.262 -14.328 1.00 12.66 H new ATOM 37 N SER A 3 12.522 6.353 -13.933 1.00 11.98 N ATOM 38 CA SER A 3 11.086 6.180 -13.563 1.00 12.23 C ATOM 39 C SER A 3 10.384 7.532 -13.640 1.00 11.86 C ATOM 40 O SER A 3 10.398 8.279 -12.679 1.00 12.66 O ATOM 41 CB SER A 3 10.993 5.620 -12.141 1.00 13.31 C ATOM 42 OG SER A 3 11.634 4.349 -12.219 1.00 13.68 O ATOM 0 H SER A 3 12.943 7.232 -13.632 1.00 11.98 H new ATOM 0 HA SER A 3 10.605 5.485 -14.251 1.00 12.23 H new ATOM 0 HB2 SER A 3 11.490 6.273 -11.423 1.00 13.31 H new ATOM 0 HB3 SER A 3 9.956 5.523 -11.819 1.00 13.31 H new ATOM 0 HG SER A 3 11.618 3.920 -11.338 1.00 13.68 H new ATOM 48 N GLY A 4 9.838 7.834 -14.785 1.00 11.00 N ATOM 49 CA GLY A 4 9.127 9.138 -14.961 1.00 10.97 C ATOM 50 C GLY A 4 9.916 9.947 -15.975 1.00 10.64 C ATOM 51 O GLY A 4 10.221 11.103 -15.767 1.00 11.45 O ATOM 0 H GLY A 4 9.852 7.235 -15.610 1.00 11.00 H new ATOM 0 HA2 GLY A 4 8.107 8.976 -15.308 1.00 10.97 H new ATOM 0 HA3 GLY A 4 9.060 9.671 -14.012 1.00 10.97 H new ATOM 55 N GLU A 5 10.211 9.297 -17.062 1.00 9.98 N ATOM 56 CA GLU A 5 11.006 9.921 -18.154 1.00 10.30 C ATOM 57 C GLU A 5 10.166 9.982 -19.433 1.00 9.59 C ATOM 58 O GLU A 5 10.599 9.557 -20.481 1.00 9.67 O ATOM 59 CB GLU A 5 12.295 9.083 -18.368 1.00 10.94 C ATOM 60 CG GLU A 5 11.995 7.613 -18.758 1.00 10.56 C ATOM 61 CD GLU A 5 11.124 6.919 -17.710 1.00 10.16 C ATOM 62 OE1 GLU A 5 11.606 6.773 -16.608 1.00 10.60 O ATOM 63 OE2 GLU A 5 9.989 6.646 -18.041 1.00 9.83 O ATOM 0 H GLU A 5 9.927 8.334 -17.245 1.00 9.98 H new ATOM 0 HA GLU A 5 11.286 10.941 -17.889 1.00 10.30 H new ATOM 0 HB2 GLU A 5 12.899 9.546 -19.149 1.00 10.94 H new ATOM 0 HB3 GLU A 5 12.889 9.098 -17.454 1.00 10.94 H new ATOM 0 HG2 GLU A 5 11.492 7.588 -19.725 1.00 10.56 H new ATOM 0 HG3 GLU A 5 12.932 7.068 -18.872 1.00 10.56 H new ATOM 70 N HIS A 6 8.980 10.532 -19.283 1.00 9.25 N ATOM 71 CA HIS A 6 7.989 10.693 -20.412 1.00 8.80 C ATOM 72 C HIS A 6 6.923 9.592 -20.288 1.00 7.44 C ATOM 73 O HIS A 6 6.299 9.182 -21.253 1.00 7.18 O ATOM 74 CB HIS A 6 8.675 10.633 -21.797 1.00 10.21 C ATOM 75 CG HIS A 6 7.829 11.198 -22.938 1.00 10.71 C ATOM 76 ND1 HIS A 6 6.733 10.613 -23.316 1.00 10.36 N ATOM 77 CD2 HIS A 6 7.981 12.300 -23.740 1.00 12.07 C ATOM 78 CE1 HIS A 6 6.206 11.294 -24.308 1.00 11.49 C ATOM 79 NE2 HIS A 6 6.974 12.324 -24.561 1.00 12.46 N ATOM 0 H HIS A 6 8.643 10.891 -18.390 1.00 9.25 H new ATOM 0 HA HIS A 6 7.525 11.676 -20.335 1.00 8.80 H new ATOM 0 HB2 HIS A 6 9.615 11.183 -21.749 1.00 10.21 H new ATOM 0 HB3 HIS A 6 8.924 9.596 -22.023 1.00 10.21 H new ATOM 0 HD1 HIS A 6 6.344 9.762 -22.909 1.00 10.36 H new ATOM 0 HD2 HIS A 6 8.789 13.016 -23.697 1.00 12.07 H new ATOM 0 HE1 HIS A 6 5.292 11.046 -24.828 1.00 11.49 H new ATOM 87 N PHE A 7 6.739 9.144 -19.075 1.00 7.10 N ATOM 88 CA PHE A 7 5.724 8.089 -18.792 1.00 6.30 C ATOM 89 C PHE A 7 4.745 8.647 -17.757 1.00 5.39 C ATOM 90 O PHE A 7 5.051 9.632 -17.099 1.00 6.48 O ATOM 91 CB PHE A 7 6.427 6.846 -18.219 1.00 7.59 C ATOM 92 CG PHE A 7 6.420 5.706 -19.244 1.00 8.15 C ATOM 93 CD1 PHE A 7 5.309 4.893 -19.385 1.00 8.25 C ATOM 94 CD2 PHE A 7 7.530 5.468 -20.033 1.00 9.23 C ATOM 95 CE1 PHE A 7 5.307 3.859 -20.294 1.00 9.37 C ATOM 96 CE2 PHE A 7 7.528 4.431 -20.947 1.00 10.34 C ATOM 97 CZ PHE A 7 6.415 3.625 -21.076 1.00 10.39 C ATOM 0 H PHE A 7 7.256 9.469 -18.258 1.00 7.10 H new ATOM 0 HA PHE A 7 5.196 7.808 -19.703 1.00 6.30 H new ATOM 0 HB2 PHE A 7 7.453 7.094 -17.948 1.00 7.59 H new ATOM 0 HB3 PHE A 7 5.925 6.525 -17.306 1.00 7.59 H new ATOM 0 HD1 PHE A 7 4.435 5.071 -18.776 1.00 8.25 H new ATOM 0 HD2 PHE A 7 8.403 6.096 -19.935 1.00 9.23 H new ATOM 0 HE1 PHE A 7 4.434 3.230 -20.394 1.00 9.37 H new ATOM 0 HE2 PHE A 7 8.398 4.251 -21.561 1.00 10.34 H new ATOM 0 HZ PHE A 7 6.414 2.813 -21.788 1.00 10.39 H new ATOM 107 N GLU A 8 3.618 8.010 -17.625 1.00 4.08 N ATOM 108 CA GLU A 8 2.618 8.482 -16.629 1.00 3.72 C ATOM 109 C GLU A 8 2.713 7.531 -15.433 1.00 3.64 C ATOM 110 O GLU A 8 3.780 7.022 -15.123 1.00 4.93 O ATOM 111 CB GLU A 8 1.211 8.418 -17.262 1.00 3.96 C ATOM 112 CG GLU A 8 0.229 9.338 -16.505 1.00 5.56 C ATOM 113 CD GLU A 8 -1.119 8.633 -16.312 1.00 6.50 C ATOM 114 OE1 GLU A 8 -1.142 7.761 -15.460 1.00 6.59 O ATOM 115 OE2 GLU A 8 -2.042 9.015 -17.010 1.00 7.64 O ATOM 0 H GLU A 8 3.346 7.186 -18.161 1.00 4.08 H new ATOM 0 HA GLU A 8 2.804 9.510 -16.316 1.00 3.72 H new ATOM 0 HB2 GLU A 8 1.264 8.717 -18.309 1.00 3.96 H new ATOM 0 HB3 GLU A 8 0.844 7.392 -17.242 1.00 3.96 H new ATOM 0 HG2 GLU A 8 0.648 9.609 -15.536 1.00 5.56 H new ATOM 0 HG3 GLU A 8 0.086 10.265 -17.061 1.00 5.56 H new ATOM 122 N GLY A 9 1.609 7.308 -14.791 1.00 3.13 N ATOM 123 CA GLY A 9 1.591 6.374 -13.626 1.00 4.11 C ATOM 124 C GLY A 9 0.978 5.071 -14.117 1.00 3.96 C ATOM 125 O GLY A 9 1.382 3.996 -13.723 1.00 4.66 O ATOM 0 H GLY A 9 0.710 7.732 -15.019 1.00 3.13 H new ATOM 0 HA2 GLY A 9 2.600 6.208 -13.248 1.00 4.11 H new ATOM 0 HA3 GLY A 9 1.007 6.791 -12.805 1.00 4.11 H new ATOM 129 N GLU A 10 0.017 5.259 -14.988 1.00 3.68 N ATOM 130 CA GLU A 10 -0.765 4.171 -15.661 1.00 4.46 C ATOM 131 C GLU A 10 -0.747 2.801 -14.950 1.00 4.06 C ATOM 132 O GLU A 10 -0.486 1.791 -15.574 1.00 4.73 O ATOM 133 CB GLU A 10 -0.222 4.067 -17.106 1.00 6.49 C ATOM 134 CG GLU A 10 1.298 3.809 -17.113 1.00 8.11 C ATOM 135 CD GLU A 10 1.899 4.263 -18.450 1.00 9.76 C ATOM 136 OE1 GLU A 10 2.157 5.459 -18.552 1.00 9.91 O ATOM 137 OE2 GLU A 10 2.064 3.397 -19.298 1.00 11.10 O ATOM 0 H GLU A 10 -0.276 6.192 -15.279 1.00 3.68 H new ATOM 0 HA GLU A 10 -1.820 4.444 -15.632 1.00 4.46 H new ATOM 0 HB2 GLU A 10 -0.733 3.261 -17.632 1.00 6.49 H new ATOM 0 HB3 GLU A 10 -0.440 4.988 -17.646 1.00 6.49 H new ATOM 0 HG2 GLU A 10 1.771 4.346 -16.291 1.00 8.11 H new ATOM 0 HG3 GLU A 10 1.496 2.749 -16.957 1.00 8.11 H new ATOM 144 N LYS A 11 -1.132 2.762 -13.683 1.00 3.13 N ATOM 145 CA LYS A 11 -1.124 1.450 -12.956 1.00 2.88 C ATOM 146 C LYS A 11 -2.159 1.468 -11.850 1.00 2.34 C ATOM 147 O LYS A 11 -2.624 2.513 -11.459 1.00 2.25 O ATOM 148 CB LYS A 11 0.260 1.180 -12.358 1.00 2.77 C ATOM 149 CG LYS A 11 1.140 0.476 -13.406 1.00 3.63 C ATOM 150 CD LYS A 11 2.592 0.417 -12.920 1.00 4.12 C ATOM 151 CE LYS A 11 3.256 1.779 -13.176 1.00 3.65 C ATOM 152 NZ LYS A 11 4.722 1.710 -12.903 1.00 4.74 N ATOM 0 H LYS A 11 -1.443 3.566 -13.138 1.00 3.13 H new ATOM 0 HA LYS A 11 -1.364 0.658 -13.665 1.00 2.88 H new ATOM 0 HB2 LYS A 11 0.723 2.116 -12.048 1.00 2.77 H new ATOM 0 HB3 LYS A 11 0.169 0.559 -11.467 1.00 2.77 H new ATOM 0 HG2 LYS A 11 0.768 -0.532 -13.587 1.00 3.63 H new ATOM 0 HG3 LYS A 11 1.087 1.010 -14.355 1.00 3.63 H new ATOM 0 HD2 LYS A 11 2.625 0.175 -11.858 1.00 4.12 H new ATOM 0 HD3 LYS A 11 3.133 -0.371 -13.443 1.00 4.12 H new ATOM 0 HE2 LYS A 11 3.087 2.083 -14.209 1.00 3.65 H new ATOM 0 HE3 LYS A 11 2.798 2.538 -12.541 1.00 3.65 H new ATOM 0 HZ1 LYS A 11 5.114 2.673 -12.866 1.00 4.74 H new ATOM 0 HZ2 LYS A 11 4.884 1.235 -11.992 1.00 4.74 H new ATOM 0 HZ3 LYS A 11 5.191 1.174 -13.661 1.00 4.74 H new ATOM 166 N VAL A 12 -2.497 0.307 -11.390 1.00 2.26 N ATOM 167 CA VAL A 12 -3.481 0.158 -10.333 1.00 1.82 C ATOM 168 C VAL A 12 -2.839 -0.565 -9.138 1.00 1.41 C ATOM 169 O VAL A 12 -3.157 -1.703 -8.858 1.00 2.34 O ATOM 170 CB VAL A 12 -4.608 -0.663 -10.958 1.00 2.36 C ATOM 171 CG1 VAL A 12 -5.492 0.253 -11.824 1.00 2.96 C ATOM 172 CG2 VAL A 12 -4.053 -1.794 -11.850 1.00 4.46 C ATOM 0 H VAL A 12 -2.107 -0.573 -11.727 1.00 2.26 H new ATOM 0 HA VAL A 12 -3.857 1.109 -9.955 1.00 1.82 H new ATOM 0 HB VAL A 12 -5.187 -1.106 -10.148 1.00 2.36 H new ATOM 0 HG11 VAL A 12 -6.296 -0.333 -12.270 1.00 2.96 H new ATOM 0 HG12 VAL A 12 -5.918 1.041 -11.203 1.00 2.96 H new ATOM 0 HG13 VAL A 12 -4.888 0.701 -12.614 1.00 2.96 H new ATOM 0 HG21 VAL A 12 -4.881 -2.359 -12.279 1.00 4.46 H new ATOM 0 HG22 VAL A 12 -3.453 -1.364 -12.652 1.00 4.46 H new ATOM 0 HG23 VAL A 12 -3.433 -2.459 -11.250 1.00 4.46 H new ATOM 182 N PHE A 13 -1.889 0.092 -8.513 1.00 1.47 N ATOM 183 CA PHE A 13 -1.185 -0.510 -7.323 1.00 1.59 C ATOM 184 C PHE A 13 -2.160 -1.047 -6.258 1.00 1.30 C ATOM 185 O PHE A 13 -2.521 -0.344 -5.328 1.00 1.75 O ATOM 186 CB PHE A 13 -0.280 0.540 -6.659 1.00 1.96 C ATOM 187 CG PHE A 13 0.518 1.284 -7.726 1.00 1.69 C ATOM 188 CD1 PHE A 13 -0.011 2.408 -8.330 1.00 1.86 C ATOM 189 CD2 PHE A 13 1.751 0.815 -8.135 1.00 1.83 C ATOM 190 CE1 PHE A 13 0.679 3.047 -9.332 1.00 2.02 C ATOM 191 CE2 PHE A 13 2.442 1.458 -9.136 1.00 1.85 C ATOM 192 CZ PHE A 13 1.904 2.572 -9.734 1.00 1.87 C ATOM 0 H PHE A 13 -1.566 1.024 -8.774 1.00 1.47 H new ATOM 0 HA PHE A 13 -0.602 -1.348 -7.705 1.00 1.59 H new ATOM 0 HB2 PHE A 13 -0.884 1.244 -6.087 1.00 1.96 H new ATOM 0 HB3 PHE A 13 0.398 0.056 -5.956 1.00 1.96 H new ATOM 0 HD1 PHE A 13 -0.972 2.786 -8.013 1.00 1.86 H new ATOM 0 HD2 PHE A 13 2.175 -0.061 -7.667 1.00 1.83 H new ATOM 0 HE1 PHE A 13 0.258 3.923 -9.804 1.00 2.02 H new ATOM 0 HE2 PHE A 13 3.406 1.088 -9.451 1.00 1.85 H new ATOM 0 HZ PHE A 13 2.445 3.075 -10.522 1.00 1.87 H new ATOM 202 N ARG A 14 -2.578 -2.265 -6.437 1.00 0.96 N ATOM 203 CA ARG A 14 -3.502 -2.890 -5.450 1.00 1.05 C ATOM 204 C ARG A 14 -2.625 -3.472 -4.332 1.00 1.10 C ATOM 205 O ARG A 14 -1.450 -3.705 -4.552 1.00 1.44 O ATOM 206 CB ARG A 14 -4.286 -4.010 -6.162 1.00 1.20 C ATOM 207 CG ARG A 14 -5.410 -4.548 -5.260 1.00 1.40 C ATOM 208 CD ARG A 14 -5.941 -5.886 -5.801 1.00 1.31 C ATOM 209 NE ARG A 14 -6.318 -5.748 -7.244 1.00 1.96 N ATOM 210 CZ ARG A 14 -5.929 -6.663 -8.091 1.00 2.95 C ATOM 211 NH1 ARG A 14 -6.463 -7.847 -8.021 1.00 3.62 N ATOM 212 NH2 ARG A 14 -4.980 -6.372 -8.930 1.00 4.12 N ATOM 0 H ARG A 14 -2.320 -2.858 -7.226 1.00 0.96 H new ATOM 0 HA ARG A 14 -4.214 -2.175 -5.037 1.00 1.05 H new ATOM 0 HB2 ARG A 14 -4.710 -3.629 -7.091 1.00 1.20 H new ATOM 0 HB3 ARG A 14 -3.609 -4.821 -6.429 1.00 1.20 H new ATOM 0 HG2 ARG A 14 -5.037 -4.682 -4.245 1.00 1.40 H new ATOM 0 HG3 ARG A 14 -6.222 -3.822 -5.208 1.00 1.40 H new ATOM 0 HD2 ARG A 14 -5.181 -6.659 -5.689 1.00 1.31 H new ATOM 0 HD3 ARG A 14 -6.807 -6.203 -5.220 1.00 1.31 H new ATOM 0 HE ARG A 14 -6.870 -4.951 -7.561 1.00 1.96 H new ATOM 0 HH11 ARG A 14 -7.171 -8.046 -7.314 1.00 3.62 H new ATOM 0 HH12 ARG A 14 -6.174 -8.576 -8.673 1.00 3.62 H new ATOM 0 HH21 ARG A 14 -4.555 -5.445 -8.918 1.00 4.12 H new ATOM 0 HH22 ARG A 14 -4.660 -7.071 -9.601 1.00 4.12 H new ATOM 226 N VAL A 15 -3.190 -3.709 -3.171 1.00 1.12 N ATOM 227 CA VAL A 15 -2.373 -4.278 -2.046 1.00 1.26 C ATOM 228 C VAL A 15 -3.014 -5.563 -1.507 1.00 1.16 C ATOM 229 O VAL A 15 -4.232 -5.698 -1.491 1.00 1.39 O ATOM 230 CB VAL A 15 -2.263 -3.241 -0.911 1.00 1.59 C ATOM 231 CG1 VAL A 15 -1.341 -3.768 0.202 1.00 1.80 C ATOM 232 CG2 VAL A 15 -1.675 -1.938 -1.461 1.00 1.73 C ATOM 0 H VAL A 15 -4.171 -3.536 -2.953 1.00 1.12 H new ATOM 0 HA VAL A 15 -1.379 -4.517 -2.424 1.00 1.26 H new ATOM 0 HB VAL A 15 -3.258 -3.061 -0.505 1.00 1.59 H new ATOM 0 HG11 VAL A 15 -1.271 -3.027 0.998 1.00 1.80 H new ATOM 0 HG12 VAL A 15 -1.749 -4.695 0.604 1.00 1.80 H new ATOM 0 HG13 VAL A 15 -0.348 -3.956 -0.207 1.00 1.80 H new ATOM 0 HG21 VAL A 15 -1.598 -1.206 -0.657 1.00 1.73 H new ATOM 0 HG22 VAL A 15 -0.684 -2.131 -1.872 1.00 1.73 H new ATOM 0 HG23 VAL A 15 -2.324 -1.549 -2.245 1.00 1.73 H new ATOM 242 N ASN A 16 -2.169 -6.461 -1.075 1.00 1.03 N ATOM 243 CA ASN A 16 -2.644 -7.762 -0.525 1.00 0.89 C ATOM 244 C ASN A 16 -1.885 -8.054 0.782 1.00 0.81 C ATOM 245 O ASN A 16 -0.868 -8.718 0.760 1.00 1.58 O ATOM 246 CB ASN A 16 -2.338 -8.841 -1.566 1.00 1.14 C ATOM 247 CG ASN A 16 -2.931 -10.171 -1.127 1.00 1.56 C ATOM 248 OD1 ASN A 16 -3.915 -10.627 -1.670 1.00 2.13 O ATOM 249 ND2 ASN A 16 -2.371 -10.820 -0.154 1.00 2.95 N ATOM 0 H ASN A 16 -1.156 -6.345 -1.081 1.00 1.03 H new ATOM 0 HA ASN A 16 -3.713 -7.739 -0.313 1.00 0.89 H new ATOM 0 HB2 ASN A 16 -2.749 -8.552 -2.533 1.00 1.14 H new ATOM 0 HB3 ASN A 16 -1.260 -8.939 -1.694 1.00 1.14 H new ATOM 0 HD21 ASN A 16 -2.758 -11.712 0.153 1.00 2.95 H new ATOM 0 HD22 ASN A 16 -1.543 -10.438 0.304 1.00 2.95 H new ATOM 256 N VAL A 17 -2.381 -7.579 1.880 1.00 0.81 N ATOM 257 CA VAL A 17 -1.654 -7.811 3.156 1.00 0.75 C ATOM 258 C VAL A 17 -1.836 -9.260 3.592 1.00 0.78 C ATOM 259 O VAL A 17 -2.919 -9.805 3.460 1.00 1.09 O ATOM 260 CB VAL A 17 -2.233 -6.837 4.193 1.00 0.96 C ATOM 261 CG1 VAL A 17 -3.697 -7.147 4.478 1.00 1.92 C ATOM 262 CG2 VAL A 17 -1.449 -6.899 5.496 1.00 2.74 C ATOM 0 H VAL A 17 -3.247 -7.046 1.955 1.00 0.81 H new ATOM 0 HA VAL A 17 -0.584 -7.637 3.044 1.00 0.75 H new ATOM 0 HB VAL A 17 -2.154 -5.834 3.773 1.00 0.96 H new ATOM 0 HG11 VAL A 17 -4.081 -6.442 5.215 1.00 1.92 H new ATOM 0 HG12 VAL A 17 -4.273 -7.059 3.557 1.00 1.92 H new ATOM 0 HG13 VAL A 17 -3.785 -8.162 4.866 1.00 1.92 H new ATOM 0 HG21 VAL A 17 -1.879 -6.200 6.213 1.00 2.74 H new ATOM 0 HG22 VAL A 17 -1.496 -7.910 5.901 1.00 2.74 H new ATOM 0 HG23 VAL A 17 -0.409 -6.632 5.308 1.00 2.74 H new ATOM 272 N GLU A 18 -0.782 -9.843 4.108 1.00 0.82 N ATOM 273 CA GLU A 18 -0.874 -11.260 4.568 1.00 0.93 C ATOM 274 C GLU A 18 -1.135 -11.271 6.060 1.00 0.96 C ATOM 275 O GLU A 18 -2.039 -11.936 6.517 1.00 1.12 O ATOM 276 CB GLU A 18 0.433 -12.011 4.280 1.00 1.16 C ATOM 277 CG GLU A 18 0.179 -13.057 3.194 1.00 1.80 C ATOM 278 CD GLU A 18 1.491 -13.774 2.865 1.00 2.74 C ATOM 279 OE1 GLU A 18 1.917 -14.560 3.708 1.00 3.81 O ATOM 280 OE2 GLU A 18 2.002 -13.462 1.796 1.00 3.44 O ATOM 0 H GLU A 18 0.130 -9.402 4.229 1.00 0.82 H new ATOM 0 HA GLU A 18 -1.684 -11.755 4.033 1.00 0.93 H new ATOM 0 HB2 GLU A 18 1.205 -11.313 3.956 1.00 1.16 H new ATOM 0 HB3 GLU A 18 0.798 -12.492 5.187 1.00 1.16 H new ATOM 0 HG2 GLU A 18 -0.567 -13.776 3.533 1.00 1.80 H new ATOM 0 HG3 GLU A 18 -0.222 -12.580 2.300 1.00 1.80 H new ATOM 287 N ASP A 19 -0.318 -10.576 6.787 1.00 0.92 N ATOM 288 CA ASP A 19 -0.527 -10.519 8.258 1.00 1.13 C ATOM 289 C ASP A 19 -0.064 -9.163 8.779 1.00 0.87 C ATOM 290 O ASP A 19 -0.005 -8.192 8.044 1.00 0.85 O ATOM 291 CB ASP A 19 0.198 -11.696 8.959 1.00 1.65 C ATOM 292 CG ASP A 19 1.593 -11.329 9.450 1.00 1.89 C ATOM 293 OD1 ASP A 19 2.396 -10.971 8.608 1.00 2.22 O ATOM 294 OD2 ASP A 19 1.768 -11.404 10.653 1.00 3.07 O ATOM 0 H ASP A 19 0.480 -10.048 6.434 1.00 0.92 H new ATOM 0 HA ASP A 19 -1.588 -10.626 8.485 1.00 1.13 H new ATOM 0 HB2 ASP A 19 -0.402 -12.033 9.805 1.00 1.65 H new ATOM 0 HB3 ASP A 19 0.272 -12.534 8.266 1.00 1.65 H new ATOM 299 N GLU A 20 0.266 -9.133 10.027 1.00 1.03 N ATOM 300 CA GLU A 20 0.702 -7.873 10.640 1.00 0.93 C ATOM 301 C GLU A 20 2.028 -7.393 10.031 1.00 0.98 C ATOM 302 O GLU A 20 2.243 -6.200 9.913 1.00 1.00 O ATOM 303 CB GLU A 20 0.812 -8.132 12.139 1.00 1.10 C ATOM 304 CG GLU A 20 -0.573 -8.518 12.724 1.00 1.82 C ATOM 305 CD GLU A 20 -1.605 -7.378 12.581 1.00 2.35 C ATOM 306 OE1 GLU A 20 -1.216 -6.226 12.712 1.00 3.10 O ATOM 307 OE2 GLU A 20 -2.764 -7.705 12.375 1.00 3.36 O ATOM 0 H GLU A 20 0.251 -9.938 10.653 1.00 1.03 H new ATOM 0 HA GLU A 20 -0.012 -7.072 10.451 1.00 0.93 H new ATOM 0 HB2 GLU A 20 1.528 -8.932 12.325 1.00 1.10 H new ATOM 0 HB3 GLU A 20 1.191 -7.242 12.642 1.00 1.10 H new ATOM 0 HG2 GLU A 20 -0.945 -9.408 12.216 1.00 1.82 H new ATOM 0 HG3 GLU A 20 -0.462 -8.775 13.777 1.00 1.82 H new ATOM 314 N ASN A 21 2.904 -8.308 9.679 1.00 1.15 N ATOM 315 CA ASN A 21 4.212 -7.881 9.061 1.00 1.29 C ATOM 316 C ASN A 21 3.969 -6.872 7.939 1.00 1.19 C ATOM 317 O ASN A 21 4.407 -5.742 8.007 1.00 1.29 O ATOM 318 CB ASN A 21 4.935 -9.113 8.473 1.00 1.47 C ATOM 319 CG ASN A 21 6.159 -8.707 7.619 1.00 1.67 C ATOM 320 OD1 ASN A 21 6.026 -7.948 6.558 1.00 2.32 O flip ATOM 321 ND2 ASN A 21 7.267 -9.110 7.906 1.00 1.98 N flip ATOM 0 H ASN A 21 2.778 -9.314 9.788 1.00 1.15 H new ATOM 0 HA ASN A 21 4.825 -7.419 9.835 1.00 1.29 H new ATOM 0 HB2 ASN A 21 5.258 -9.766 9.284 1.00 1.47 H new ATOM 0 HB3 ASN A 21 4.238 -9.685 7.861 1.00 1.47 H new ATOM 0 HD21 ASN A 21 7.398 -9.702 8.726 1.00 1.98 H new ATOM 0 HD22 ASN A 21 8.068 -8.857 7.327 1.00 1.98 H new ATOM 328 N ASP A 22 3.312 -7.341 6.910 1.00 1.07 N ATOM 329 CA ASP A 22 2.995 -6.483 5.722 1.00 1.06 C ATOM 330 C ASP A 22 2.406 -5.135 6.171 1.00 1.02 C ATOM 331 O ASP A 22 2.872 -4.078 5.762 1.00 1.32 O ATOM 332 CB ASP A 22 2.013 -7.320 4.887 1.00 1.03 C ATOM 333 CG ASP A 22 1.627 -6.634 3.578 1.00 1.58 C ATOM 334 OD1 ASP A 22 1.080 -5.559 3.684 1.00 2.81 O ATOM 335 OD2 ASP A 22 1.868 -7.247 2.547 1.00 2.41 O ATOM 0 H ASP A 22 2.974 -8.301 6.839 1.00 1.07 H new ATOM 0 HA ASP A 22 3.875 -6.222 5.134 1.00 1.06 H new ATOM 0 HB2 ASP A 22 2.462 -8.289 4.667 1.00 1.03 H new ATOM 0 HB3 ASP A 22 1.114 -7.511 5.473 1.00 1.03 H new ATOM 340 N ILE A 23 1.421 -5.203 7.036 1.00 0.80 N ATOM 341 CA ILE A 23 0.790 -3.949 7.545 1.00 0.82 C ATOM 342 C ILE A 23 1.857 -3.009 8.074 1.00 0.92 C ATOM 343 O ILE A 23 2.026 -1.905 7.594 1.00 1.16 O ATOM 344 CB ILE A 23 -0.153 -4.283 8.710 1.00 0.83 C ATOM 345 CG1 ILE A 23 -1.230 -5.224 8.189 1.00 0.83 C ATOM 346 CG2 ILE A 23 -0.778 -2.989 9.261 1.00 1.01 C ATOM 347 CD1 ILE A 23 -2.185 -5.623 9.303 1.00 0.91 C ATOM 0 H ILE A 23 1.031 -6.069 7.408 1.00 0.80 H new ATOM 0 HA ILE A 23 0.243 -3.481 6.726 1.00 0.82 H new ATOM 0 HB ILE A 23 0.393 -4.764 9.522 1.00 0.83 H new ATOM 0 HG12 ILE A 23 -1.784 -4.740 7.385 1.00 0.83 H new ATOM 0 HG13 ILE A 23 -0.767 -6.115 7.765 1.00 0.83 H new ATOM 0 HG21 ILE A 23 -1.446 -3.231 10.087 1.00 1.01 H new ATOM 0 HG22 ILE A 23 0.011 -2.326 9.615 1.00 1.01 H new ATOM 0 HG23 ILE A 23 -1.342 -2.493 8.471 1.00 1.01 H new ATOM 0 HD11 ILE A 23 -2.946 -6.295 8.907 1.00 0.91 H new ATOM 0 HD12 ILE A 23 -1.631 -6.128 10.094 1.00 0.91 H new ATOM 0 HD13 ILE A 23 -2.664 -4.732 9.708 1.00 0.91 H new ATOM 359 N SER A 24 2.546 -3.510 9.061 1.00 0.88 N ATOM 360 CA SER A 24 3.617 -2.735 9.741 1.00 1.04 C ATOM 361 C SER A 24 4.494 -1.919 8.789 1.00 1.13 C ATOM 362 O SER A 24 5.096 -0.962 9.222 1.00 1.81 O ATOM 363 CB SER A 24 4.461 -3.722 10.540 1.00 1.11 C ATOM 364 OG SER A 24 3.521 -4.276 11.460 1.00 1.33 O ATOM 0 H SER A 24 2.406 -4.449 9.433 1.00 0.88 H new ATOM 0 HA SER A 24 3.144 -1.996 10.388 1.00 1.04 H new ATOM 0 HB2 SER A 24 4.900 -4.488 9.901 1.00 1.11 H new ATOM 0 HB3 SER A 24 5.284 -3.226 11.054 1.00 1.11 H new ATOM 0 HG SER A 24 3.115 -5.078 11.070 1.00 1.33 H new ATOM 370 N GLU A 25 4.547 -2.293 7.535 1.00 0.64 N ATOM 371 CA GLU A 25 5.397 -1.514 6.585 1.00 0.79 C ATOM 372 C GLU A 25 4.525 -0.455 5.886 1.00 0.86 C ATOM 373 O GLU A 25 4.736 0.736 6.049 1.00 1.16 O ATOM 374 CB GLU A 25 6.007 -2.501 5.569 1.00 0.89 C ATOM 375 CG GLU A 25 7.468 -2.110 5.268 1.00 1.72 C ATOM 376 CD GLU A 25 7.810 -2.452 3.822 1.00 2.87 C ATOM 377 OE1 GLU A 25 7.492 -1.627 2.993 1.00 4.06 O ATOM 378 OE2 GLU A 25 8.348 -3.526 3.622 1.00 3.53 O ATOM 0 H GLU A 25 4.049 -3.088 7.134 1.00 0.64 H new ATOM 0 HA GLU A 25 6.204 -0.998 7.105 1.00 0.79 H new ATOM 0 HB2 GLU A 25 5.967 -3.515 5.966 1.00 0.89 H new ATOM 0 HB3 GLU A 25 5.423 -2.496 4.649 1.00 0.89 H new ATOM 0 HG2 GLU A 25 7.611 -1.044 5.442 1.00 1.72 H new ATOM 0 HG3 GLU A 25 8.141 -2.637 5.944 1.00 1.72 H new ATOM 385 N LEU A 26 3.533 -0.912 5.160 1.00 0.80 N ATOM 386 CA LEU A 26 2.621 -0.001 4.447 1.00 0.88 C ATOM 387 C LEU A 26 2.079 1.089 5.384 1.00 0.80 C ATOM 388 O LEU A 26 1.920 2.235 5.000 1.00 0.91 O ATOM 389 CB LEU A 26 1.484 -0.866 3.914 1.00 0.98 C ATOM 390 CG LEU A 26 0.790 -0.074 2.832 1.00 1.11 C ATOM 391 CD1 LEU A 26 1.486 -0.305 1.486 1.00 2.29 C ATOM 392 CD2 LEU A 26 -0.685 -0.476 2.744 1.00 1.39 C ATOM 0 H LEU A 26 3.324 -1.903 5.037 1.00 0.80 H new ATOM 0 HA LEU A 26 3.141 0.515 3.640 1.00 0.88 H new ATOM 0 HB2 LEU A 26 1.869 -1.805 3.517 1.00 0.98 H new ATOM 0 HB3 LEU A 26 0.787 -1.120 4.712 1.00 0.98 H new ATOM 0 HG LEU A 26 0.846 0.986 3.080 1.00 1.11 H new ATOM 0 HD11 LEU A 26 0.979 0.270 0.711 1.00 2.29 H new ATOM 0 HD12 LEU A 26 2.526 0.015 1.554 1.00 2.29 H new ATOM 0 HD13 LEU A 26 1.449 -1.365 1.234 1.00 2.29 H new ATOM 0 HD21 LEU A 26 -1.174 0.103 1.960 1.00 1.39 H new ATOM 0 HD22 LEU A 26 -0.759 -1.538 2.511 1.00 1.39 H new ATOM 0 HD23 LEU A 26 -1.173 -0.279 3.698 1.00 1.39 H new ATOM 404 N HIS A 27 1.776 0.671 6.582 1.00 0.77 N ATOM 405 CA HIS A 27 1.243 1.590 7.625 1.00 0.95 C ATOM 406 C HIS A 27 2.114 2.846 7.728 1.00 1.04 C ATOM 407 O HIS A 27 1.600 3.938 7.825 1.00 1.33 O ATOM 408 CB HIS A 27 1.242 0.831 8.963 1.00 1.09 C ATOM 409 CG HIS A 27 0.037 1.124 9.855 1.00 0.96 C ATOM 410 ND1 HIS A 27 0.065 2.069 10.748 1.00 1.60 N ATOM 411 CD2 HIS A 27 -1.203 0.546 9.934 1.00 1.22 C ATOM 412 CE1 HIS A 27 -1.097 2.104 11.361 1.00 1.80 C ATOM 413 NE2 HIS A 27 -1.865 1.171 10.858 1.00 1.38 N ATOM 0 H HIS A 27 1.879 -0.296 6.888 1.00 0.77 H new ATOM 0 HA HIS A 27 0.233 1.907 7.367 1.00 0.95 H new ATOM 0 HB2 HIS A 27 1.276 -0.239 8.759 1.00 1.09 H new ATOM 0 HB3 HIS A 27 2.152 1.081 9.509 1.00 1.09 H new ATOM 0 HD1 HIS A 27 0.858 2.682 10.941 1.00 1.60 H new ATOM 0 HD2 HIS A 27 -1.563 -0.279 9.337 1.00 1.22 H new ATOM 0 HE1 HIS A 27 -1.373 2.789 12.149 1.00 1.80 H new ATOM 421 N GLU A 28 3.411 2.650 7.714 1.00 0.92 N ATOM 422 CA GLU A 28 4.357 3.807 7.819 1.00 1.18 C ATOM 423 C GLU A 28 4.010 4.897 6.793 1.00 1.39 C ATOM 424 O GLU A 28 3.712 6.022 7.161 1.00 1.87 O ATOM 425 CB GLU A 28 5.783 3.282 7.585 1.00 1.21 C ATOM 426 CG GLU A 28 6.786 4.443 7.679 1.00 1.92 C ATOM 427 CD GLU A 28 6.801 4.995 9.105 1.00 3.05 C ATOM 428 OE1 GLU A 28 7.139 4.215 9.978 1.00 3.66 O ATOM 429 OE2 GLU A 28 6.451 6.155 9.243 1.00 4.13 O ATOM 0 H GLU A 28 3.857 1.736 7.634 1.00 0.92 H new ATOM 0 HA GLU A 28 4.279 4.257 8.809 1.00 1.18 H new ATOM 0 HB2 GLU A 28 6.026 2.519 8.324 1.00 1.21 H new ATOM 0 HB3 GLU A 28 5.850 2.809 6.605 1.00 1.21 H new ATOM 0 HG2 GLU A 28 7.782 4.099 7.401 1.00 1.92 H new ATOM 0 HG3 GLU A 28 6.513 5.230 6.976 1.00 1.92 H new ATOM 436 N LEU A 29 4.097 4.524 5.536 1.00 1.19 N ATOM 437 CA LEU A 29 3.776 5.462 4.413 1.00 1.37 C ATOM 438 C LEU A 29 2.658 6.416 4.826 1.00 1.58 C ATOM 439 O LEU A 29 2.805 7.605 4.671 1.00 2.12 O ATOM 440 CB LEU A 29 3.385 4.603 3.188 1.00 1.37 C ATOM 441 CG LEU A 29 2.905 5.443 1.979 1.00 1.68 C ATOM 442 CD1 LEU A 29 3.702 6.744 1.827 1.00 2.10 C ATOM 443 CD2 LEU A 29 3.112 4.621 0.695 1.00 1.95 C ATOM 0 H LEU A 29 4.382 3.591 5.237 1.00 1.19 H new ATOM 0 HA LEU A 29 4.635 6.083 4.159 1.00 1.37 H new ATOM 0 HB2 LEU A 29 4.242 4.002 2.886 1.00 1.37 H new ATOM 0 HB3 LEU A 29 2.595 3.910 3.476 1.00 1.37 H new ATOM 0 HG LEU A 29 1.857 5.691 2.145 1.00 1.68 H new ATOM 0 HD11 LEU A 29 3.330 7.300 0.966 1.00 2.10 H new ATOM 0 HD12 LEU A 29 3.587 7.348 2.727 1.00 2.10 H new ATOM 0 HD13 LEU A 29 4.756 6.510 1.680 1.00 2.10 H new ATOM 0 HD21 LEU A 29 2.778 5.200 -0.166 1.00 1.95 H new ATOM 0 HD22 LEU A 29 4.169 4.381 0.583 1.00 1.95 H new ATOM 0 HD23 LEU A 29 2.535 3.698 0.757 1.00 1.95 H new ATOM 455 N ALA A 30 1.600 5.883 5.393 1.00 1.37 N ATOM 456 CA ALA A 30 0.458 6.759 5.824 1.00 1.66 C ATOM 457 C ALA A 30 0.973 8.123 6.328 1.00 1.64 C ATOM 458 O ALA A 30 0.564 9.165 5.847 1.00 1.63 O ATOM 459 CB ALA A 30 -0.315 6.058 6.944 1.00 1.97 C ATOM 0 H ALA A 30 1.477 4.887 5.576 1.00 1.37 H new ATOM 0 HA ALA A 30 -0.195 6.933 4.969 1.00 1.66 H new ATOM 0 HB1 ALA A 30 -1.146 6.688 7.262 1.00 1.97 H new ATOM 0 HB2 ALA A 30 -0.701 5.106 6.579 1.00 1.97 H new ATOM 0 HB3 ALA A 30 0.350 5.880 7.789 1.00 1.97 H new ATOM 465 N SER A 31 1.868 8.062 7.289 1.00 2.02 N ATOM 466 CA SER A 31 2.476 9.301 7.883 1.00 2.19 C ATOM 467 C SER A 31 2.741 10.350 6.798 1.00 2.15 C ATOM 468 O SER A 31 2.458 11.521 6.955 1.00 2.63 O ATOM 469 CB SER A 31 3.804 8.914 8.547 1.00 2.46 C ATOM 470 OG SER A 31 3.502 7.714 9.251 1.00 2.67 O ATOM 0 H SER A 31 2.209 7.190 7.694 1.00 2.02 H new ATOM 0 HA SER A 31 1.787 9.727 8.612 1.00 2.19 H new ATOM 0 HB2 SER A 31 4.589 8.756 7.807 1.00 2.46 H new ATOM 0 HB3 SER A 31 4.155 9.695 9.222 1.00 2.46 H new ATOM 0 HG SER A 31 3.758 6.941 8.705 1.00 2.67 H new ATOM 476 N THR A 32 3.333 9.885 5.740 1.00 1.91 N ATOM 477 CA THR A 32 3.665 10.760 4.581 1.00 2.19 C ATOM 478 C THR A 32 3.079 10.118 3.311 1.00 2.03 C ATOM 479 O THR A 32 3.740 9.931 2.306 1.00 2.40 O ATOM 480 CB THR A 32 5.194 10.865 4.522 1.00 2.59 C ATOM 481 OG1 THR A 32 5.563 11.471 5.762 1.00 3.93 O ATOM 482 CG2 THR A 32 5.666 11.843 3.451 1.00 3.52 C ATOM 0 H THR A 32 3.609 8.910 5.624 1.00 1.91 H new ATOM 0 HA THR A 32 3.244 11.761 4.673 1.00 2.19 H new ATOM 0 HB THR A 32 5.618 9.881 4.320 1.00 2.59 H new ATOM 0 HG1 THR A 32 6.537 11.571 5.800 1.00 3.93 H new ATOM 0 HG21 THR A 32 6.755 11.882 3.449 1.00 3.52 H new ATOM 0 HG22 THR A 32 5.313 11.512 2.475 1.00 3.52 H new ATOM 0 HG23 THR A 32 5.268 12.835 3.663 1.00 3.52 H new ATOM 490 N ARG A 33 1.831 9.758 3.410 1.00 2.46 N ATOM 491 CA ARG A 33 1.136 9.112 2.256 1.00 2.75 C ATOM 492 C ARG A 33 1.229 9.889 0.944 1.00 1.51 C ATOM 493 O ARG A 33 0.528 10.868 0.728 1.00 2.01 O ATOM 494 CB ARG A 33 -0.345 8.920 2.562 1.00 4.36 C ATOM 495 CG ARG A 33 -0.890 10.182 3.220 1.00 5.79 C ATOM 496 CD ARG A 33 -2.239 10.554 2.590 1.00 7.16 C ATOM 497 NE ARG A 33 -1.987 11.428 1.390 1.00 7.15 N ATOM 498 CZ ARG A 33 -2.406 11.082 0.205 1.00 7.43 C ATOM 499 NH1 ARG A 33 -3.656 10.824 0.038 1.00 8.02 N ATOM 500 NH2 ARG A 33 -1.557 11.030 -0.773 1.00 7.62 N ATOM 0 H ARG A 33 1.257 9.883 4.244 1.00 2.46 H new ATOM 0 HA ARG A 33 1.655 8.163 2.123 1.00 2.75 H new ATOM 0 HB2 ARG A 33 -0.894 8.708 1.644 1.00 4.36 H new ATOM 0 HB3 ARG A 33 -0.484 8.063 3.221 1.00 4.36 H new ATOM 0 HG2 ARG A 33 -1.010 10.022 4.291 1.00 5.79 H new ATOM 0 HG3 ARG A 33 -0.182 11.002 3.098 1.00 5.79 H new ATOM 0 HD2 ARG A 33 -2.779 9.654 2.295 1.00 7.16 H new ATOM 0 HD3 ARG A 33 -2.863 11.078 3.314 1.00 7.16 H new ATOM 0 HE ARG A 33 -1.480 12.305 1.506 1.00 7.15 H new ATOM 0 HH11 ARG A 33 -4.300 10.892 0.826 1.00 8.02 H new ATOM 0 HH12 ARG A 33 -4.002 10.552 -0.882 1.00 8.02 H new ATOM 0 HH21 ARG A 33 -0.576 11.258 -0.610 1.00 7.62 H new ATOM 0 HH22 ARG A 33 -1.870 10.761 -1.706 1.00 7.62 H new ATOM 514 N GLN A 34 2.114 9.465 0.097 1.00 1.75 N ATOM 515 CA GLN A 34 2.188 10.131 -1.234 1.00 2.45 C ATOM 516 C GLN A 34 0.999 9.575 -2.035 1.00 1.98 C ATOM 517 O GLN A 34 0.535 10.166 -2.989 1.00 1.96 O ATOM 518 CB GLN A 34 3.483 9.772 -1.973 1.00 4.07 C ATOM 519 CG GLN A 34 4.716 10.144 -1.136 1.00 4.93 C ATOM 520 CD GLN A 34 5.991 9.958 -1.977 1.00 6.45 C ATOM 521 OE1 GLN A 34 5.890 9.723 -3.260 1.00 7.39 O flip ATOM 522 NE2 GLN A 34 7.102 10.030 -1.478 1.00 7.23 N flip ATOM 0 H GLN A 34 2.776 8.706 0.256 1.00 1.75 H new ATOM 0 HA GLN A 34 2.166 11.215 -1.120 1.00 2.45 H new ATOM 0 HB2 GLN A 34 3.497 8.704 -2.192 1.00 4.07 H new ATOM 0 HB3 GLN A 34 3.517 10.294 -2.929 1.00 4.07 H new ATOM 0 HG2 GLN A 34 4.639 11.178 -0.798 1.00 4.93 H new ATOM 0 HG3 GLN A 34 4.763 9.520 -0.244 1.00 4.93 H new ATOM 0 HE21 GLN A 34 7.202 10.213 -0.479 1.00 7.23 H new ATOM 0 HE22 GLN A 34 7.931 9.908 -2.059 1.00 7.23 H new ATOM 531 N ILE A 35 0.509 8.459 -1.548 1.00 1.79 N ATOM 532 CA ILE A 35 -0.632 7.732 -2.181 1.00 1.44 C ATOM 533 C ILE A 35 -1.929 7.940 -1.402 1.00 1.24 C ATOM 534 O ILE A 35 -1.917 8.435 -0.298 1.00 1.48 O ATOM 535 CB ILE A 35 -0.327 6.227 -2.122 1.00 1.41 C ATOM 536 CG1 ILE A 35 -0.045 5.840 -0.650 1.00 1.41 C ATOM 537 CG2 ILE A 35 0.903 5.905 -2.970 1.00 1.87 C ATOM 538 CD1 ILE A 35 -0.117 4.321 -0.473 1.00 1.80 C ATOM 0 H ILE A 35 0.869 8.009 -0.707 1.00 1.79 H new ATOM 0 HA ILE A 35 -0.750 8.105 -3.198 1.00 1.44 H new ATOM 0 HB ILE A 35 -1.179 5.667 -2.508 1.00 1.41 H new ATOM 0 HG12 ILE A 35 0.941 6.200 -0.355 1.00 1.41 H new ATOM 0 HG13 ILE A 35 -0.770 6.323 0.005 1.00 1.41 H new ATOM 0 HG21 ILE A 35 1.109 4.836 -2.920 1.00 1.87 H new ATOM 0 HG22 ILE A 35 0.716 6.191 -4.005 1.00 1.87 H new ATOM 0 HG23 ILE A 35 1.762 6.458 -2.590 1.00 1.87 H new ATOM 0 HD11 ILE A 35 0.084 4.066 0.568 1.00 1.80 H new ATOM 0 HD12 ILE A 35 -1.112 3.969 -0.747 1.00 1.80 H new ATOM 0 HD13 ILE A 35 0.626 3.845 -1.113 1.00 1.80 H new ATOM 550 N ASP A 36 -3.011 7.530 -2.002 1.00 1.10 N ATOM 551 CA ASP A 36 -4.347 7.626 -1.345 1.00 1.11 C ATOM 552 C ASP A 36 -4.982 6.265 -1.606 1.00 0.85 C ATOM 553 O ASP A 36 -4.723 5.687 -2.658 1.00 0.96 O ATOM 554 CB ASP A 36 -5.235 8.736 -1.952 1.00 1.43 C ATOM 555 CG ASP A 36 -4.470 9.588 -2.969 1.00 2.41 C ATOM 556 OD1 ASP A 36 -3.434 10.114 -2.581 1.00 3.75 O ATOM 557 OD2 ASP A 36 -4.968 9.681 -4.073 1.00 2.99 O ATOM 0 H ASP A 36 -3.027 7.125 -2.938 1.00 1.10 H new ATOM 0 HA ASP A 36 -4.247 7.877 -0.289 1.00 1.11 H new ATOM 0 HB2 ASP A 36 -6.101 8.284 -2.436 1.00 1.43 H new ATOM 0 HB3 ASP A 36 -5.613 9.375 -1.154 1.00 1.43 H new ATOM 562 N PHE A 37 -5.827 5.811 -0.721 1.00 0.97 N ATOM 563 CA PHE A 37 -6.436 4.464 -0.923 1.00 0.82 C ATOM 564 C PHE A 37 -7.790 4.569 -1.623 1.00 0.90 C ATOM 565 O PHE A 37 -8.397 5.624 -1.680 1.00 1.34 O ATOM 566 CB PHE A 37 -6.604 3.783 0.440 1.00 0.96 C ATOM 567 CG PHE A 37 -5.227 3.509 1.069 1.00 0.88 C ATOM 568 CD1 PHE A 37 -4.470 4.544 1.597 1.00 1.13 C ATOM 569 CD2 PHE A 37 -4.744 2.215 1.164 1.00 1.31 C ATOM 570 CE1 PHE A 37 -3.261 4.287 2.217 1.00 1.23 C ATOM 571 CE2 PHE A 37 -3.538 1.959 1.786 1.00 1.48 C ATOM 572 CZ PHE A 37 -2.797 2.992 2.312 1.00 1.22 C ATOM 0 H PHE A 37 -6.119 6.305 0.122 1.00 0.97 H new ATOM 0 HA PHE A 37 -5.777 3.873 -1.558 1.00 0.82 H new ATOM 0 HB2 PHE A 37 -7.195 4.417 1.101 1.00 0.96 H new ATOM 0 HB3 PHE A 37 -7.151 2.848 0.323 1.00 0.96 H new ATOM 0 HD1 PHE A 37 -4.828 5.560 1.523 1.00 1.13 H new ATOM 0 HD2 PHE A 37 -5.316 1.399 0.748 1.00 1.31 H new ATOM 0 HE1 PHE A 37 -2.680 5.100 2.627 1.00 1.23 H new ATOM 0 HE2 PHE A 37 -3.175 0.944 1.860 1.00 1.48 H new ATOM 0 HZ PHE A 37 -1.854 2.789 2.798 1.00 1.22 H new ATOM 582 N TRP A 38 -8.222 3.463 -2.163 1.00 0.81 N ATOM 583 CA TRP A 38 -9.522 3.436 -2.894 1.00 0.99 C ATOM 584 C TRP A 38 -10.523 2.556 -2.136 1.00 0.97 C ATOM 585 O TRP A 38 -11.243 3.049 -1.294 1.00 1.21 O ATOM 586 CB TRP A 38 -9.231 2.884 -4.295 1.00 1.10 C ATOM 587 CG TRP A 38 -10.313 3.061 -5.359 1.00 1.53 C ATOM 588 CD1 TRP A 38 -11.617 3.405 -5.155 1.00 2.42 C ATOM 589 CD2 TRP A 38 -10.220 2.876 -6.718 1.00 1.87 C ATOM 590 NE1 TRP A 38 -12.256 3.422 -6.288 1.00 3.15 N ATOM 591 CE2 TRP A 38 -11.460 3.108 -7.287 1.00 2.79 C ATOM 592 CE3 TRP A 38 -9.137 2.485 -7.486 1.00 1.91 C ATOM 593 CZ2 TRP A 38 -11.648 2.957 -8.638 1.00 3.35 C ATOM 594 CZ3 TRP A 38 -9.342 2.331 -8.848 1.00 2.48 C ATOM 595 CH2 TRP A 38 -10.583 2.563 -9.420 1.00 3.07 C ATOM 0 H TRP A 38 -7.728 2.571 -2.130 1.00 0.81 H new ATOM 0 HA TRP A 38 -9.965 4.429 -2.971 1.00 0.99 H new ATOM 0 HB2 TRP A 38 -8.319 3.356 -4.660 1.00 1.10 H new ATOM 0 HB3 TRP A 38 -9.023 1.818 -4.201 1.00 1.10 H new ATOM 0 HD1 TRP A 38 -12.055 3.630 -4.194 1.00 2.42 H new ATOM 0 HE1 TRP A 38 -13.245 3.649 -6.389 1.00 3.15 H new ATOM 0 HE3 TRP A 38 -8.169 2.307 -7.041 1.00 1.91 H new ATOM 0 HZ2 TRP A 38 -12.615 3.144 -9.082 1.00 3.35 H new ATOM 0 HZ3 TRP A 38 -8.519 2.024 -9.476 1.00 2.48 H new ATOM 0 HH2 TRP A 38 -10.716 2.434 -10.484 1.00 3.07 H new ATOM 606 N LYS A 39 -10.539 1.279 -2.411 1.00 1.21 N ATOM 607 CA LYS A 39 -11.490 0.375 -1.686 1.00 1.46 C ATOM 608 C LYS A 39 -10.644 -0.602 -0.879 1.00 1.54 C ATOM 609 O LYS A 39 -9.586 -0.971 -1.315 1.00 1.57 O ATOM 610 CB LYS A 39 -12.354 -0.456 -2.660 1.00 1.80 C ATOM 611 CG LYS A 39 -12.561 0.238 -4.018 1.00 2.63 C ATOM 612 CD LYS A 39 -11.393 -0.108 -4.965 1.00 3.25 C ATOM 613 CE LYS A 39 -11.851 0.016 -6.424 1.00 4.14 C ATOM 614 NZ LYS A 39 -10.675 0.063 -7.350 1.00 4.80 N ATOM 0 H LYS A 39 -9.941 0.822 -3.100 1.00 1.21 H new ATOM 0 HA LYS A 39 -12.154 0.982 -1.070 1.00 1.46 H new ATOM 0 HB2 LYS A 39 -11.881 -1.425 -2.821 1.00 1.80 H new ATOM 0 HB3 LYS A 39 -13.325 -0.647 -2.204 1.00 1.80 H new ATOM 0 HG2 LYS A 39 -13.506 -0.080 -4.459 1.00 2.63 H new ATOM 0 HG3 LYS A 39 -12.622 1.317 -3.880 1.00 2.63 H new ATOM 0 HD2 LYS A 39 -10.553 0.561 -4.780 1.00 3.25 H new ATOM 0 HD3 LYS A 39 -11.042 -1.121 -4.769 1.00 3.25 H new ATOM 0 HE2 LYS A 39 -12.489 -0.829 -6.682 1.00 4.14 H new ATOM 0 HE3 LYS A 39 -12.451 0.918 -6.546 1.00 4.14 H new ATOM 0 HZ1 LYS A 39 -10.816 -0.616 -8.125 1.00 4.80 H new ATOM 0 HZ2 LYS A 39 -10.580 1.022 -7.742 1.00 4.80 H new ATOM 0 HZ3 LYS A 39 -9.811 -0.184 -6.827 1.00 4.80 H new ATOM 628 N PRO A 40 -11.113 -1.014 0.263 1.00 1.75 N ATOM 629 CA PRO A 40 -11.414 -0.151 1.410 1.00 1.40 C ATOM 630 C PRO A 40 -10.187 -0.204 2.310 1.00 1.95 C ATOM 631 O PRO A 40 -9.716 -1.278 2.637 1.00 3.62 O ATOM 632 CB PRO A 40 -12.597 -0.830 2.085 1.00 2.51 C ATOM 633 CG PRO A 40 -12.754 -2.214 1.378 1.00 3.53 C ATOM 634 CD PRO A 40 -11.476 -2.403 0.537 1.00 2.91 C ATOM 0 HA PRO A 40 -11.641 0.887 1.165 1.00 1.40 H new ATOM 0 HB2 PRO A 40 -12.419 -0.955 3.153 1.00 2.51 H new ATOM 0 HB3 PRO A 40 -13.503 -0.233 1.980 1.00 2.51 H new ATOM 0 HG2 PRO A 40 -12.864 -3.016 2.108 1.00 3.53 H new ATOM 0 HG3 PRO A 40 -13.643 -2.233 0.748 1.00 3.53 H new ATOM 0 HD2 PRO A 40 -10.697 -2.932 1.085 1.00 2.91 H new ATOM 0 HD3 PRO A 40 -11.663 -2.968 -0.376 1.00 2.91 H new ATOM 642 N ASP A 41 -9.780 0.921 2.780 1.00 1.97 N ATOM 643 CA ASP A 41 -8.539 0.941 3.601 1.00 3.50 C ATOM 644 C ASP A 41 -8.742 1.448 5.025 1.00 2.93 C ATOM 645 O ASP A 41 -9.125 0.695 5.902 1.00 4.58 O ATOM 646 CB ASP A 41 -7.520 1.814 2.841 1.00 5.12 C ATOM 647 CG ASP A 41 -6.346 2.202 3.749 1.00 6.32 C ATOM 648 OD1 ASP A 41 -5.684 1.297 4.221 1.00 7.12 O ATOM 649 OD2 ASP A 41 -6.217 3.399 3.968 1.00 6.84 O ATOM 0 H ASP A 41 -10.237 1.822 2.641 1.00 1.97 H new ATOM 0 HA ASP A 41 -8.185 -0.082 3.729 1.00 3.50 H new ATOM 0 HB2 ASP A 41 -7.148 1.272 1.971 1.00 5.12 H new ATOM 0 HB3 ASP A 41 -8.011 2.714 2.470 1.00 5.12 H new ATOM 654 N SER A 42 -8.476 2.711 5.215 1.00 1.80 N ATOM 655 CA SER A 42 -8.589 3.322 6.561 1.00 1.73 C ATOM 656 C SER A 42 -7.448 2.722 7.397 1.00 1.94 C ATOM 657 O SER A 42 -7.604 2.413 8.570 1.00 3.24 O ATOM 658 CB SER A 42 -9.957 3.010 7.184 1.00 2.23 C ATOM 659 OG SER A 42 -10.029 3.894 8.290 1.00 2.86 O ATOM 0 H SER A 42 -8.180 3.353 4.479 1.00 1.80 H new ATOM 0 HA SER A 42 -8.511 4.408 6.516 1.00 1.73 H new ATOM 0 HB2 SER A 42 -10.768 3.185 6.478 1.00 2.23 H new ATOM 0 HB3 SER A 42 -10.026 1.969 7.498 1.00 2.23 H new ATOM 0 HG SER A 42 -9.302 3.695 8.916 1.00 2.86 H new ATOM 665 N VAL A 43 -6.341 2.572 6.705 1.00 1.13 N ATOM 666 CA VAL A 43 -5.050 2.013 7.221 1.00 1.17 C ATOM 667 C VAL A 43 -5.037 1.611 8.701 1.00 1.24 C ATOM 668 O VAL A 43 -4.708 0.481 9.019 1.00 1.51 O ATOM 669 CB VAL A 43 -3.953 3.049 6.909 1.00 1.48 C ATOM 670 CG1 VAL A 43 -4.279 4.401 7.567 1.00 2.03 C ATOM 671 CG2 VAL A 43 -2.593 2.535 7.412 1.00 2.11 C ATOM 0 H VAL A 43 -6.283 2.839 5.722 1.00 1.13 H new ATOM 0 HA VAL A 43 -4.879 1.063 6.714 1.00 1.17 H new ATOM 0 HB VAL A 43 -3.908 3.193 5.829 1.00 1.48 H new ATOM 0 HG11 VAL A 43 -3.492 5.118 7.334 1.00 2.03 H new ATOM 0 HG12 VAL A 43 -5.231 4.771 7.186 1.00 2.03 H new ATOM 0 HG13 VAL A 43 -4.345 4.273 8.647 1.00 2.03 H new ATOM 0 HG21 VAL A 43 -1.821 3.271 7.189 1.00 2.11 H new ATOM 0 HG22 VAL A 43 -2.641 2.374 8.489 1.00 2.11 H new ATOM 0 HG23 VAL A 43 -2.353 1.595 6.915 1.00 2.11 H new ATOM 681 N THR A 44 -5.389 2.510 9.573 1.00 1.63 N ATOM 682 CA THR A 44 -5.378 2.177 11.027 1.00 1.83 C ATOM 683 C THR A 44 -6.012 0.811 11.327 1.00 1.86 C ATOM 684 O THR A 44 -5.561 0.125 12.228 1.00 2.36 O ATOM 685 CB THR A 44 -6.120 3.274 11.802 1.00 2.10 C ATOM 686 OG1 THR A 44 -7.299 3.563 11.061 1.00 2.03 O ATOM 687 CG2 THR A 44 -5.333 4.585 11.799 1.00 2.37 C ATOM 0 H THR A 44 -5.684 3.460 9.346 1.00 1.63 H new ATOM 0 HA THR A 44 -4.336 2.121 11.343 1.00 1.83 H new ATOM 0 HB THR A 44 -6.288 2.931 12.823 1.00 2.10 H new ATOM 0 HG1 THR A 44 -7.347 2.973 10.280 1.00 2.03 H new ATOM 0 HG21 THR A 44 -5.885 5.342 12.356 1.00 2.37 H new ATOM 0 HG22 THR A 44 -4.361 4.427 12.267 1.00 2.37 H new ATOM 0 HG23 THR A 44 -5.191 4.922 10.772 1.00 2.37 H new ATOM 695 N GLN A 45 -7.009 0.430 10.551 1.00 1.65 N ATOM 696 CA GLN A 45 -7.687 -0.872 10.818 1.00 1.86 C ATOM 697 C GLN A 45 -7.310 -1.975 9.813 1.00 1.80 C ATOM 698 O GLN A 45 -7.975 -2.994 9.766 1.00 2.22 O ATOM 699 CB GLN A 45 -9.204 -0.635 10.745 1.00 2.11 C ATOM 700 CG GLN A 45 -9.927 -1.710 11.571 1.00 3.37 C ATOM 701 CD GLN A 45 -11.418 -1.767 11.218 1.00 3.71 C ATOM 702 OE1 GLN A 45 -11.790 -1.712 9.970 1.00 4.54 O flip ATOM 703 NE2 GLN A 45 -12.262 -1.890 12.078 1.00 4.01 N flip ATOM 0 H GLN A 45 -7.372 0.960 9.759 1.00 1.65 H new ATOM 0 HA GLN A 45 -7.366 -1.218 11.800 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -9.447 0.357 11.126 1.00 2.11 H new ATOM 0 HB3 GLN A 45 -9.540 -0.670 9.709 1.00 2.11 H new ATOM 0 HG2 GLN A 45 -9.469 -2.682 11.388 1.00 3.37 H new ATOM 0 HG3 GLN A 45 -9.809 -1.497 12.633 1.00 3.37 H new ATOM 0 HE21 GLN A 45 -11.987 -1.935 13.059 1.00 4.01 H new ATOM 0 HE22 GLN A 45 -13.247 -1.949 11.821 1.00 4.01 H new ATOM 712 N ILE A 46 -6.260 -1.816 9.054 1.00 1.54 N ATOM 713 CA ILE A 46 -5.925 -2.912 8.086 1.00 1.46 C ATOM 714 C ILE A 46 -5.475 -4.150 8.869 1.00 1.34 C ATOM 715 O ILE A 46 -4.780 -4.036 9.865 1.00 1.40 O ATOM 716 CB ILE A 46 -4.810 -2.432 7.136 1.00 1.46 C ATOM 717 CG1 ILE A 46 -5.331 -1.318 6.237 1.00 1.92 C ATOM 718 CG2 ILE A 46 -4.251 -3.609 6.309 1.00 1.23 C ATOM 719 CD1 ILE A 46 -6.174 -1.918 5.146 1.00 1.72 C ATOM 0 H ILE A 46 -5.637 -1.008 9.055 1.00 1.54 H new ATOM 0 HA ILE A 46 -6.801 -3.170 7.490 1.00 1.46 H new ATOM 0 HB ILE A 46 -3.989 -2.032 7.731 1.00 1.46 H new ATOM 0 HG12 ILE A 46 -5.919 -0.609 6.820 1.00 1.92 H new ATOM 0 HG13 ILE A 46 -4.498 -0.763 5.806 1.00 1.92 H new ATOM 0 HG21 ILE A 46 -3.466 -3.247 5.646 1.00 1.23 H new ATOM 0 HG22 ILE A 46 -3.840 -4.363 6.981 1.00 1.23 H new ATOM 0 HG23 ILE A 46 -5.052 -4.050 5.716 1.00 1.23 H new ATOM 0 HD11 ILE A 46 -6.550 -1.125 4.499 1.00 1.72 H new ATOM 0 HD12 ILE A 46 -5.570 -2.610 4.559 1.00 1.72 H new ATOM 0 HD13 ILE A 46 -7.014 -2.454 5.588 1.00 1.72 H new ATOM 731 N LYS A 47 -5.882 -5.309 8.409 1.00 1.25 N ATOM 732 CA LYS A 47 -5.503 -6.575 9.110 1.00 1.19 C ATOM 733 C LYS A 47 -5.146 -7.649 8.055 1.00 0.83 C ATOM 734 O LYS A 47 -5.310 -7.400 6.877 1.00 0.82 O ATOM 735 CB LYS A 47 -6.688 -7.017 9.998 1.00 1.58 C ATOM 736 CG LYS A 47 -6.253 -7.046 11.486 1.00 3.14 C ATOM 737 CD LYS A 47 -6.224 -5.630 12.090 1.00 4.26 C ATOM 738 CE LYS A 47 -4.955 -5.441 12.949 1.00 6.07 C ATOM 739 NZ LYS A 47 -3.763 -5.138 12.102 1.00 6.84 N ATOM 0 H LYS A 47 -6.460 -5.432 7.578 1.00 1.25 H new ATOM 0 HA LYS A 47 -4.631 -6.427 9.746 1.00 1.19 H new ATOM 0 HB2 LYS A 47 -7.526 -6.332 9.869 1.00 1.58 H new ATOM 0 HB3 LYS A 47 -7.034 -8.004 9.692 1.00 1.58 H new ATOM 0 HG2 LYS A 47 -6.940 -7.672 12.055 1.00 3.14 H new ATOM 0 HG3 LYS A 47 -5.265 -7.499 11.569 1.00 3.14 H new ATOM 0 HD2 LYS A 47 -6.246 -4.887 11.293 1.00 4.26 H new ATOM 0 HD3 LYS A 47 -7.112 -5.469 12.701 1.00 4.26 H new ATOM 0 HE2 LYS A 47 -5.113 -4.631 13.661 1.00 6.07 H new ATOM 0 HE3 LYS A 47 -4.770 -6.344 13.531 1.00 6.07 H new ATOM 0 HZ1 LYS A 47 -3.020 -4.707 12.689 1.00 6.84 H new ATOM 0 HZ2 LYS A 47 -3.404 -6.018 11.680 1.00 6.84 H new ATOM 0 HZ3 LYS A 47 -4.033 -4.477 11.346 1.00 6.84 H new ATOM 753 N PRO A 48 -4.640 -8.793 8.508 1.00 0.78 N ATOM 754 CA PRO A 48 -4.133 -9.896 7.637 1.00 0.76 C ATOM 755 C PRO A 48 -4.977 -10.218 6.393 1.00 0.86 C ATOM 756 O PRO A 48 -6.102 -9.780 6.248 1.00 1.26 O ATOM 757 CB PRO A 48 -4.084 -11.097 8.588 1.00 1.03 C ATOM 758 CG PRO A 48 -3.823 -10.491 9.977 1.00 1.09 C ATOM 759 CD PRO A 48 -4.506 -9.120 9.954 1.00 0.97 C ATOM 0 HA PRO A 48 -3.177 -9.612 7.197 1.00 0.76 H new ATOM 0 HB2 PRO A 48 -5.021 -11.654 8.570 1.00 1.03 H new ATOM 0 HB3 PRO A 48 -3.294 -11.793 8.306 1.00 1.03 H new ATOM 0 HG2 PRO A 48 -4.234 -11.122 10.765 1.00 1.09 H new ATOM 0 HG3 PRO A 48 -2.755 -10.395 10.170 1.00 1.09 H new ATOM 0 HD2 PRO A 48 -5.479 -9.153 10.445 1.00 0.97 H new ATOM 0 HD3 PRO A 48 -3.910 -8.371 10.476 1.00 0.97 H new ATOM 767 N HIS A 49 -4.380 -11.041 5.557 1.00 0.95 N ATOM 768 CA HIS A 49 -4.998 -11.508 4.277 1.00 1.32 C ATOM 769 C HIS A 49 -6.129 -10.585 3.825 1.00 1.21 C ATOM 770 O HIS A 49 -7.264 -11.005 3.669 1.00 1.39 O ATOM 771 CB HIS A 49 -5.499 -12.946 4.486 1.00 1.76 C ATOM 772 CG HIS A 49 -6.415 -13.117 5.700 1.00 1.59 C ATOM 773 ND1 HIS A 49 -7.593 -12.562 5.744 1.00 3.18 N ATOM 774 CD2 HIS A 49 -6.257 -13.795 6.880 1.00 1.79 C ATOM 775 CE1 HIS A 49 -8.161 -12.868 6.889 1.00 4.09 C ATOM 776 NE2 HIS A 49 -7.339 -13.620 7.577 1.00 3.05 N ATOM 0 H HIS A 49 -3.448 -11.422 5.722 1.00 0.95 H new ATOM 0 HA HIS A 49 -4.252 -11.486 3.482 1.00 1.32 H new ATOM 0 HB2 HIS A 49 -6.034 -13.267 3.592 1.00 1.76 H new ATOM 0 HB3 HIS A 49 -4.639 -13.607 4.597 1.00 1.76 H new ATOM 0 HD1 HIS A 49 -8.006 -11.985 5.011 1.00 3.18 H new ATOM 0 HD2 HIS A 49 -5.392 -14.369 7.176 1.00 1.79 H new ATOM 0 HE1 HIS A 49 -9.143 -12.552 7.209 1.00 4.09 H new ATOM 784 N SER A 50 -5.789 -9.339 3.616 1.00 1.08 N ATOM 785 CA SER A 50 -6.832 -8.373 3.172 1.00 1.11 C ATOM 786 C SER A 50 -6.480 -7.859 1.780 1.00 1.06 C ATOM 787 O SER A 50 -5.324 -7.833 1.389 1.00 1.84 O ATOM 788 CB SER A 50 -6.945 -7.219 4.183 1.00 1.23 C ATOM 789 OG SER A 50 -7.563 -6.166 3.455 1.00 2.37 O ATOM 0 H SER A 50 -4.851 -8.956 3.732 1.00 1.08 H new ATOM 0 HA SER A 50 -7.802 -8.869 3.124 1.00 1.11 H new ATOM 0 HB2 SER A 50 -7.542 -7.507 5.048 1.00 1.23 H new ATOM 0 HB3 SER A 50 -5.965 -6.921 4.556 1.00 1.23 H new ATOM 0 HG SER A 50 -7.673 -5.386 4.038 1.00 2.37 H new ATOM 795 N THR A 51 -7.495 -7.450 1.072 1.00 1.12 N ATOM 796 CA THR A 51 -7.299 -6.950 -0.316 1.00 1.46 C ATOM 797 C THR A 51 -7.953 -5.575 -0.519 1.00 1.78 C ATOM 798 O THR A 51 -9.168 -5.456 -0.449 1.00 2.15 O ATOM 799 CB THR A 51 -7.926 -7.984 -1.257 1.00 1.76 C ATOM 800 OG1 THR A 51 -9.230 -8.226 -0.731 1.00 2.53 O ATOM 801 CG2 THR A 51 -7.220 -9.338 -1.138 1.00 2.22 C ATOM 0 H THR A 51 -8.461 -7.441 1.399 1.00 1.12 H new ATOM 0 HA THR A 51 -6.236 -6.823 -0.521 1.00 1.46 H new ATOM 0 HB THR A 51 -7.884 -7.618 -2.283 1.00 1.76 H new ATOM 0 HG1 THR A 51 -9.625 -7.380 -0.432 1.00 2.53 H new ATOM 0 HG21 THR A 51 -7.686 -10.052 -1.817 1.00 2.22 H new ATOM 0 HG22 THR A 51 -6.168 -9.224 -1.398 1.00 2.22 H new ATOM 0 HG23 THR A 51 -7.303 -9.703 -0.114 1.00 2.22 H new ATOM 809 N VAL A 52 -7.128 -4.578 -0.761 1.00 1.72 N ATOM 810 CA VAL A 52 -7.654 -3.186 -0.984 1.00 2.04 C ATOM 811 C VAL A 52 -6.953 -2.587 -2.230 1.00 1.57 C ATOM 812 O VAL A 52 -5.933 -3.113 -2.641 1.00 1.50 O ATOM 813 CB VAL A 52 -7.383 -2.357 0.282 1.00 2.58 C ATOM 814 CG1 VAL A 52 -7.867 -3.120 1.528 1.00 3.60 C ATOM 815 CG2 VAL A 52 -5.893 -2.085 0.431 1.00 2.10 C ATOM 0 H VAL A 52 -6.113 -4.668 -0.814 1.00 1.72 H new ATOM 0 HA VAL A 52 -8.728 -3.187 -1.168 1.00 2.04 H new ATOM 0 HB VAL A 52 -7.921 -1.414 0.190 1.00 2.58 H new ATOM 0 HG11 VAL A 52 -7.670 -2.524 2.419 1.00 3.60 H new ATOM 0 HG12 VAL A 52 -8.938 -3.308 1.446 1.00 3.60 H new ATOM 0 HG13 VAL A 52 -7.336 -4.069 1.602 1.00 3.60 H new ATOM 0 HG21 VAL A 52 -5.719 -1.497 1.332 1.00 2.10 H new ATOM 0 HG22 VAL A 52 -5.356 -3.031 0.505 1.00 2.10 H new ATOM 0 HG23 VAL A 52 -5.535 -1.532 -0.438 1.00 2.10 H new ATOM 825 N ASP A 53 -7.449 -1.496 -2.786 1.00 1.35 N ATOM 826 CA ASP A 53 -6.808 -0.923 -4.024 1.00 1.06 C ATOM 827 C ASP A 53 -6.376 0.550 -3.845 1.00 0.95 C ATOM 828 O ASP A 53 -6.833 1.206 -2.928 1.00 0.86 O ATOM 829 CB ASP A 53 -7.864 -1.028 -5.134 1.00 1.36 C ATOM 830 CG ASP A 53 -7.268 -0.752 -6.514 1.00 2.71 C ATOM 831 OD1 ASP A 53 -6.058 -0.833 -6.650 1.00 3.61 O ATOM 832 OD2 ASP A 53 -8.097 -0.483 -7.365 1.00 3.83 O ATOM 0 H ASP A 53 -8.260 -0.984 -2.440 1.00 1.35 H new ATOM 0 HA ASP A 53 -5.897 -1.474 -4.258 1.00 1.06 H new ATOM 0 HB2 ASP A 53 -8.306 -2.024 -5.122 1.00 1.36 H new ATOM 0 HB3 ASP A 53 -8.669 -0.320 -4.938 1.00 1.36 H new ATOM 837 N PHE A 54 -5.536 1.044 -4.748 1.00 1.19 N ATOM 838 CA PHE A 54 -5.048 2.477 -4.675 1.00 1.20 C ATOM 839 C PHE A 54 -5.611 3.336 -5.832 1.00 1.52 C ATOM 840 O PHE A 54 -6.626 3.978 -5.656 1.00 2.94 O ATOM 841 CB PHE A 54 -3.510 2.541 -4.778 1.00 2.01 C ATOM 842 CG PHE A 54 -2.776 2.090 -3.508 1.00 1.01 C ATOM 843 CD1 PHE A 54 -3.431 1.551 -2.415 1.00 1.71 C ATOM 844 CD2 PHE A 54 -1.396 2.204 -3.469 1.00 1.27 C ATOM 845 CE1 PHE A 54 -2.715 1.129 -1.316 1.00 2.55 C ATOM 846 CE2 PHE A 54 -0.681 1.783 -2.370 1.00 1.77 C ATOM 847 CZ PHE A 54 -1.341 1.245 -1.292 1.00 2.47 C ATOM 0 H PHE A 54 -5.167 0.511 -5.536 1.00 1.19 H new ATOM 0 HA PHE A 54 -5.393 2.864 -3.717 1.00 1.20 H new ATOM 0 HB2 PHE A 54 -3.187 1.918 -5.612 1.00 2.01 H new ATOM 0 HB3 PHE A 54 -3.215 3.564 -5.011 1.00 2.01 H new ATOM 0 HD1 PHE A 54 -4.507 1.461 -2.423 1.00 1.71 H new ATOM 0 HD2 PHE A 54 -0.873 2.629 -4.313 1.00 1.27 H new ATOM 0 HE1 PHE A 54 -3.233 0.705 -0.468 1.00 2.55 H new ATOM 0 HE2 PHE A 54 0.395 1.875 -2.356 1.00 1.77 H new ATOM 0 HZ PHE A 54 -0.785 0.914 -0.427 1.00 2.47 H new ATOM 857 N ARG A 55 -4.910 3.336 -6.970 1.00 2.09 N ATOM 858 CA ARG A 55 -5.313 4.129 -8.197 1.00 2.36 C ATOM 859 C ARG A 55 -4.071 4.410 -9.068 1.00 2.84 C ATOM 860 O ARG A 55 -2.950 4.150 -8.660 1.00 3.33 O ATOM 861 CB ARG A 55 -5.918 5.498 -7.821 1.00 2.26 C ATOM 862 CG ARG A 55 -4.860 6.342 -7.084 1.00 2.58 C ATOM 863 CD ARG A 55 -5.535 7.432 -6.252 1.00 3.55 C ATOM 864 NE ARG A 55 -5.876 6.877 -4.905 1.00 4.50 N ATOM 865 CZ ARG A 55 -7.058 7.058 -4.426 1.00 5.54 C ATOM 866 NH1 ARG A 55 -7.434 8.278 -4.193 1.00 6.36 N ATOM 867 NH2 ARG A 55 -7.796 6.023 -4.190 1.00 6.28 N ATOM 0 H ARG A 55 -4.051 2.800 -7.094 1.00 2.09 H new ATOM 0 HA ARG A 55 -6.054 3.533 -8.730 1.00 2.36 H new ATOM 0 HB2 ARG A 55 -6.253 6.018 -8.718 1.00 2.26 H new ATOM 0 HB3 ARG A 55 -6.794 5.359 -7.187 1.00 2.26 H new ATOM 0 HG2 ARG A 55 -4.260 5.701 -6.438 1.00 2.58 H new ATOM 0 HG3 ARG A 55 -4.179 6.795 -7.805 1.00 2.58 H new ATOM 0 HD2 ARG A 55 -4.872 8.291 -6.148 1.00 3.55 H new ATOM 0 HD3 ARG A 55 -6.437 7.784 -6.753 1.00 3.55 H new ATOM 0 HE ARG A 55 -5.178 6.360 -4.370 1.00 4.50 H new ATOM 0 HH11 ARG A 55 -6.801 9.053 -4.389 1.00 6.36 H new ATOM 0 HH12 ARG A 55 -8.363 8.462 -3.814 1.00 6.36 H new ATOM 0 HH21 ARG A 55 -7.439 5.087 -4.383 1.00 6.28 H new ATOM 0 HH22 ARG A 55 -8.735 6.142 -3.811 1.00 6.28 H new ATOM 881 N VAL A 56 -4.311 4.962 -10.232 1.00 3.23 N ATOM 882 CA VAL A 56 -3.217 5.297 -11.172 1.00 3.90 C ATOM 883 C VAL A 56 -2.741 6.750 -11.001 1.00 2.87 C ATOM 884 O VAL A 56 -3.191 7.654 -11.677 1.00 3.17 O ATOM 885 CB VAL A 56 -3.739 5.037 -12.611 1.00 5.39 C ATOM 886 CG1 VAL A 56 -5.125 5.676 -12.813 1.00 7.27 C ATOM 887 CG2 VAL A 56 -2.779 5.628 -13.655 1.00 5.74 C ATOM 0 H VAL A 56 -5.244 5.197 -10.570 1.00 3.23 H new ATOM 0 HA VAL A 56 -2.348 4.672 -10.967 1.00 3.90 H new ATOM 0 HB VAL A 56 -3.807 3.957 -12.741 1.00 5.39 H new ATOM 0 HG11 VAL A 56 -5.471 5.481 -13.828 1.00 7.27 H new ATOM 0 HG12 VAL A 56 -5.830 5.248 -12.101 1.00 7.27 H new ATOM 0 HG13 VAL A 56 -5.056 6.752 -12.653 1.00 7.27 H new ATOM 0 HG21 VAL A 56 -3.165 5.434 -14.656 1.00 5.74 H new ATOM 0 HG22 VAL A 56 -2.693 6.704 -13.502 1.00 5.74 H new ATOM 0 HG23 VAL A 56 -1.797 5.166 -13.549 1.00 5.74 H new ATOM 897 N LYS A 57 -1.884 6.962 -10.038 1.00 2.32 N ATOM 898 CA LYS A 57 -1.327 8.333 -9.850 1.00 1.74 C ATOM 899 C LYS A 57 0.085 8.273 -10.423 1.00 1.80 C ATOM 900 O LYS A 57 0.648 7.194 -10.487 1.00 2.96 O ATOM 901 CB LYS A 57 -1.279 8.701 -8.364 1.00 2.39 C ATOM 902 CG LYS A 57 -0.654 10.106 -8.209 1.00 2.57 C ATOM 903 CD LYS A 57 -0.991 10.677 -6.827 1.00 3.05 C ATOM 904 CE LYS A 57 -0.245 9.898 -5.736 1.00 4.30 C ATOM 905 NZ LYS A 57 1.108 10.468 -5.500 1.00 4.68 N ATOM 0 H LYS A 57 -1.549 6.256 -9.382 1.00 2.32 H new ATOM 0 HA LYS A 57 -1.940 9.088 -10.342 1.00 1.74 H new ATOM 0 HB2 LYS A 57 -2.284 8.688 -7.941 1.00 2.39 H new ATOM 0 HB3 LYS A 57 -0.692 7.966 -7.814 1.00 2.39 H new ATOM 0 HG2 LYS A 57 0.427 10.049 -8.335 1.00 2.57 H new ATOM 0 HG3 LYS A 57 -1.031 10.769 -8.988 1.00 2.57 H new ATOM 0 HD2 LYS A 57 -0.716 11.731 -6.784 1.00 3.05 H new ATOM 0 HD3 LYS A 57 -2.066 10.620 -6.654 1.00 3.05 H new ATOM 0 HE2 LYS A 57 -0.820 9.923 -4.810 1.00 4.30 H new ATOM 0 HE3 LYS A 57 -0.156 8.852 -6.028 1.00 4.30 H new ATOM 0 HZ1 LYS A 57 1.811 9.702 -5.492 1.00 4.68 H new ATOM 0 HZ2 LYS A 57 1.338 11.141 -6.259 1.00 4.68 H new ATOM 0 HZ3 LYS A 57 1.122 10.961 -4.584 1.00 4.68 H new ATOM 919 N ALA A 58 0.634 9.397 -10.808 1.00 1.40 N ATOM 920 CA ALA A 58 2.008 9.390 -11.403 1.00 1.54 C ATOM 921 C ALA A 58 2.930 10.455 -10.791 1.00 1.61 C ATOM 922 O ALA A 58 2.640 11.025 -9.759 1.00 2.74 O ATOM 923 CB ALA A 58 1.857 9.673 -12.894 1.00 1.98 C ATOM 0 H ALA A 58 0.195 10.315 -10.737 1.00 1.40 H new ATOM 0 HA ALA A 58 2.465 8.421 -11.204 1.00 1.54 H new ATOM 0 HB1 ALA A 58 2.840 9.676 -13.365 1.00 1.98 H new ATOM 0 HB2 ALA A 58 1.238 8.900 -13.350 1.00 1.98 H new ATOM 0 HB3 ALA A 58 1.384 10.645 -13.034 1.00 1.98 H new ATOM 929 N GLU A 59 4.039 10.642 -11.468 1.00 2.37 N ATOM 930 CA GLU A 59 5.094 11.638 -11.086 1.00 2.70 C ATOM 931 C GLU A 59 5.894 11.189 -9.871 1.00 2.26 C ATOM 932 O GLU A 59 7.077 10.937 -9.968 1.00 2.83 O ATOM 933 CB GLU A 59 4.472 13.020 -10.817 1.00 3.24 C ATOM 934 CG GLU A 59 3.594 13.435 -12.009 1.00 4.34 C ATOM 935 CD GLU A 59 4.332 13.178 -13.330 1.00 6.11 C ATOM 936 OE1 GLU A 59 5.332 13.847 -13.534 1.00 7.11 O ATOM 937 OE2 GLU A 59 3.866 12.308 -14.051 1.00 6.90 O ATOM 0 H GLU A 59 4.266 10.117 -12.313 1.00 2.37 H new ATOM 0 HA GLU A 59 5.779 11.710 -11.931 1.00 2.70 H new ATOM 0 HB2 GLU A 59 3.874 12.989 -9.906 1.00 3.24 H new ATOM 0 HB3 GLU A 59 5.258 13.758 -10.658 1.00 3.24 H new ATOM 0 HG2 GLU A 59 2.659 12.876 -11.992 1.00 4.34 H new ATOM 0 HG3 GLU A 59 3.335 14.491 -11.929 1.00 4.34 H new ATOM 944 N ASP A 60 5.237 11.013 -8.766 1.00 1.80 N ATOM 945 CA ASP A 60 5.988 10.603 -7.540 1.00 2.05 C ATOM 946 C ASP A 60 5.979 9.089 -7.350 1.00 1.85 C ATOM 947 O ASP A 60 6.517 8.590 -6.372 1.00 2.32 O ATOM 948 CB ASP A 60 5.336 11.258 -6.323 1.00 2.73 C ATOM 949 CG ASP A 60 3.885 10.795 -6.199 1.00 3.43 C ATOM 950 OD1 ASP A 60 3.051 11.398 -6.858 1.00 4.13 O ATOM 951 OD2 ASP A 60 3.682 9.848 -5.451 1.00 4.16 O ATOM 0 H ASP A 60 4.230 11.131 -8.651 1.00 1.80 H new ATOM 0 HA ASP A 60 7.024 10.924 -7.652 1.00 2.05 H new ATOM 0 HB2 ASP A 60 5.888 10.998 -5.420 1.00 2.73 H new ATOM 0 HB3 ASP A 60 5.374 12.343 -6.419 1.00 2.73 H new ATOM 956 N ILE A 61 5.421 8.393 -8.309 1.00 1.38 N ATOM 957 CA ILE A 61 5.314 6.957 -8.275 1.00 1.34 C ATOM 958 C ILE A 61 6.605 6.292 -7.788 1.00 1.35 C ATOM 959 O ILE A 61 6.582 5.521 -6.864 1.00 1.73 O ATOM 960 CB ILE A 61 4.966 6.575 -9.709 1.00 1.46 C ATOM 961 CG1 ILE A 61 5.408 7.614 -10.764 1.00 3.00 C ATOM 962 CG2 ILE A 61 3.457 6.323 -9.812 1.00 2.21 C ATOM 963 CD1 ILE A 61 5.530 6.912 -12.124 1.00 3.93 C ATOM 0 H ILE A 61 5.023 8.815 -9.148 1.00 1.38 H new ATOM 0 HA ILE A 61 4.559 6.615 -7.567 1.00 1.34 H new ATOM 0 HB ILE A 61 5.527 5.669 -9.937 1.00 1.46 H new ATOM 0 HG12 ILE A 61 4.683 8.426 -10.821 1.00 3.00 H new ATOM 0 HG13 ILE A 61 6.362 8.058 -10.481 1.00 3.00 H new ATOM 0 HG21 ILE A 61 3.203 6.049 -10.836 1.00 2.21 H new ATOM 0 HG22 ILE A 61 3.177 5.512 -9.140 1.00 2.21 H new ATOM 0 HG23 ILE A 61 2.917 7.228 -9.534 1.00 2.21 H new ATOM 0 HD11 ILE A 61 5.842 7.634 -12.879 1.00 3.93 H new ATOM 0 HD12 ILE A 61 6.270 6.115 -12.057 1.00 3.93 H new ATOM 0 HD13 ILE A 61 4.565 6.489 -12.403 1.00 3.93 H new ATOM 975 N LEU A 62 7.691 6.610 -8.430 1.00 1.47 N ATOM 976 CA LEU A 62 9.012 6.029 -8.033 1.00 1.56 C ATOM 977 C LEU A 62 9.091 5.682 -6.541 1.00 1.40 C ATOM 978 O LEU A 62 9.340 4.550 -6.197 1.00 1.43 O ATOM 979 CB LEU A 62 10.118 7.038 -8.399 1.00 1.89 C ATOM 980 CG LEU A 62 11.444 6.719 -7.673 1.00 3.62 C ATOM 981 CD1 LEU A 62 11.925 5.303 -8.020 1.00 4.28 C ATOM 982 CD2 LEU A 62 12.513 7.726 -8.109 1.00 4.42 C ATOM 0 H LEU A 62 7.726 7.253 -9.221 1.00 1.47 H new ATOM 0 HA LEU A 62 9.142 5.091 -8.573 1.00 1.56 H new ATOM 0 HB2 LEU A 62 10.281 7.025 -9.477 1.00 1.89 H new ATOM 0 HB3 LEU A 62 9.793 8.045 -8.138 1.00 1.89 H new ATOM 0 HG LEU A 62 11.276 6.783 -6.598 1.00 3.62 H new ATOM 0 HD11 LEU A 62 12.860 5.098 -7.499 1.00 4.28 H new ATOM 0 HD12 LEU A 62 11.172 4.577 -7.713 1.00 4.28 H new ATOM 0 HD13 LEU A 62 12.085 5.226 -9.095 1.00 4.28 H new ATOM 0 HD21 LEU A 62 13.451 7.505 -7.599 1.00 4.42 H new ATOM 0 HD22 LEU A 62 12.661 7.656 -9.187 1.00 4.42 H new ATOM 0 HD23 LEU A 62 12.189 8.735 -7.852 1.00 4.42 H new ATOM 994 N ALA A 63 8.839 6.633 -5.685 1.00 1.46 N ATOM 995 CA ALA A 63 8.949 6.315 -4.228 1.00 1.40 C ATOM 996 C ALA A 63 7.899 5.297 -3.802 1.00 1.15 C ATOM 997 O ALA A 63 8.171 4.420 -3.011 1.00 1.21 O ATOM 998 CB ALA A 63 8.775 7.595 -3.413 1.00 1.65 C ATOM 0 H ALA A 63 8.570 7.589 -5.917 1.00 1.46 H new ATOM 0 HA ALA A 63 9.934 5.885 -4.047 1.00 1.40 H new ATOM 0 HB1 ALA A 63 8.855 7.364 -2.351 1.00 1.65 H new ATOM 0 HB2 ALA A 63 9.550 8.310 -3.688 1.00 1.65 H new ATOM 0 HB3 ALA A 63 7.795 8.026 -3.618 1.00 1.65 H new ATOM 1004 N VAL A 64 6.735 5.427 -4.356 1.00 1.17 N ATOM 1005 CA VAL A 64 5.648 4.484 -3.998 1.00 1.04 C ATOM 1006 C VAL A 64 5.955 3.104 -4.580 1.00 0.92 C ATOM 1007 O VAL A 64 5.989 2.129 -3.851 1.00 0.94 O ATOM 1008 CB VAL A 64 4.335 5.022 -4.576 1.00 1.17 C ATOM 1009 CG1 VAL A 64 3.187 4.079 -4.207 1.00 1.22 C ATOM 1010 CG2 VAL A 64 4.068 6.418 -3.996 1.00 1.39 C ATOM 0 H VAL A 64 6.487 6.143 -5.040 1.00 1.17 H new ATOM 0 HA VAL A 64 5.565 4.393 -2.915 1.00 1.04 H new ATOM 0 HB VAL A 64 4.408 5.085 -5.662 1.00 1.17 H new ATOM 0 HG11 VAL A 64 2.254 4.463 -4.619 1.00 1.22 H new ATOM 0 HG12 VAL A 64 3.384 3.088 -4.617 1.00 1.22 H new ATOM 0 HG13 VAL A 64 3.105 4.013 -3.122 1.00 1.22 H new ATOM 0 HG21 VAL A 64 3.135 6.808 -4.402 1.00 1.39 H new ATOM 0 HG22 VAL A 64 3.992 6.353 -2.911 1.00 1.39 H new ATOM 0 HG23 VAL A 64 4.887 7.086 -4.263 1.00 1.39 H new ATOM 1020 N GLU A 65 6.175 3.062 -5.872 1.00 0.92 N ATOM 1021 CA GLU A 65 6.477 1.765 -6.527 1.00 0.94 C ATOM 1022 C GLU A 65 7.717 1.153 -5.836 1.00 0.81 C ATOM 1023 O GLU A 65 7.750 -0.028 -5.547 1.00 0.83 O ATOM 1024 CB GLU A 65 6.694 2.013 -8.040 1.00 1.10 C ATOM 1025 CG GLU A 65 5.503 2.828 -8.620 1.00 1.66 C ATOM 1026 CD GLU A 65 5.424 2.734 -10.168 1.00 1.82 C ATOM 1027 OE1 GLU A 65 6.122 1.901 -10.730 1.00 2.33 O ATOM 1028 OE2 GLU A 65 4.623 3.472 -10.739 1.00 2.72 O ATOM 0 H GLU A 65 6.157 3.870 -6.494 1.00 0.92 H new ATOM 0 HA GLU A 65 5.656 1.055 -6.428 1.00 0.94 H new ATOM 0 HB2 GLU A 65 7.627 2.554 -8.198 1.00 1.10 H new ATOM 0 HB3 GLU A 65 6.784 1.061 -8.564 1.00 1.10 H new ATOM 0 HG2 GLU A 65 4.571 2.463 -8.188 1.00 1.66 H new ATOM 0 HG3 GLU A 65 5.603 3.873 -8.326 1.00 1.66 H new ATOM 1035 N ASP A 66 8.693 1.985 -5.549 1.00 0.82 N ATOM 1036 CA ASP A 66 9.928 1.490 -4.860 1.00 0.77 C ATOM 1037 C ASP A 66 9.547 0.924 -3.484 1.00 0.72 C ATOM 1038 O ASP A 66 9.845 -0.216 -3.178 1.00 0.75 O ATOM 1039 CB ASP A 66 10.909 2.652 -4.675 1.00 0.86 C ATOM 1040 CG ASP A 66 12.223 2.101 -4.125 1.00 1.40 C ATOM 1041 OD1 ASP A 66 12.920 1.464 -4.903 1.00 2.00 O ATOM 1042 OD2 ASP A 66 12.431 2.309 -2.948 1.00 2.33 O ATOM 0 H ASP A 66 8.687 2.983 -5.762 1.00 0.82 H new ATOM 0 HA ASP A 66 10.395 0.711 -5.462 1.00 0.77 H new ATOM 0 HB2 ASP A 66 11.080 3.157 -5.626 1.00 0.86 H new ATOM 0 HB3 ASP A 66 10.494 3.392 -3.991 1.00 0.86 H new ATOM 1047 N PHE A 67 8.882 1.753 -2.707 1.00 0.68 N ATOM 1048 CA PHE A 67 8.411 1.346 -1.335 1.00 0.69 C ATOM 1049 C PHE A 67 7.625 0.053 -1.437 1.00 0.79 C ATOM 1050 O PHE A 67 7.429 -0.638 -0.471 1.00 1.33 O ATOM 1051 CB PHE A 67 7.501 2.451 -0.779 1.00 0.74 C ATOM 1052 CG PHE A 67 7.200 2.197 0.711 1.00 0.82 C ATOM 1053 CD1 PHE A 67 6.124 1.407 1.068 1.00 0.85 C ATOM 1054 CD2 PHE A 67 8.036 2.678 1.711 1.00 0.97 C ATOM 1055 CE1 PHE A 67 5.892 1.089 2.384 1.00 0.91 C ATOM 1056 CE2 PHE A 67 7.799 2.356 3.035 1.00 1.01 C ATOM 1057 CZ PHE A 67 6.727 1.556 3.368 1.00 0.92 C ATOM 0 H PHE A 67 8.641 2.709 -2.968 1.00 0.68 H new ATOM 0 HA PHE A 67 9.266 1.199 -0.675 1.00 0.69 H new ATOM 0 HB2 PHE A 67 7.981 3.422 -0.900 1.00 0.74 H new ATOM 0 HB3 PHE A 67 6.570 2.484 -1.345 1.00 0.74 H new ATOM 0 HD1 PHE A 67 5.458 1.035 0.304 1.00 0.85 H new ATOM 0 HD2 PHE A 67 8.875 3.307 1.453 1.00 0.97 H new ATOM 0 HE1 PHE A 67 5.048 0.468 2.646 1.00 0.91 H new ATOM 0 HE2 PHE A 67 8.454 2.731 3.808 1.00 1.01 H new ATOM 0 HZ PHE A 67 6.545 1.297 4.401 1.00 0.92 H new ATOM 1067 N LEU A 68 7.136 -0.193 -2.604 1.00 0.66 N ATOM 1068 CA LEU A 68 6.354 -1.449 -2.840 1.00 0.86 C ATOM 1069 C LEU A 68 7.152 -2.565 -3.552 1.00 1.11 C ATOM 1070 O LEU A 68 6.720 -3.703 -3.520 1.00 1.74 O ATOM 1071 CB LEU A 68 5.124 -1.109 -3.693 1.00 1.14 C ATOM 1072 CG LEU A 68 4.143 -0.222 -2.906 1.00 1.10 C ATOM 1073 CD1 LEU A 68 3.003 0.207 -3.838 1.00 1.48 C ATOM 1074 CD2 LEU A 68 3.551 -0.999 -1.713 1.00 0.99 C ATOM 0 H LEU A 68 7.237 0.415 -3.417 1.00 0.66 H new ATOM 0 HA LEU A 68 6.083 -1.835 -1.857 1.00 0.86 H new ATOM 0 HB2 LEU A 68 5.437 -0.596 -4.602 1.00 1.14 H new ATOM 0 HB3 LEU A 68 4.624 -2.027 -4.001 1.00 1.14 H new ATOM 0 HG LEU A 68 4.677 0.651 -2.530 1.00 1.10 H new ATOM 0 HD11 LEU A 68 2.302 0.836 -3.290 1.00 1.48 H new ATOM 0 HD12 LEU A 68 3.412 0.767 -4.679 1.00 1.48 H new ATOM 0 HD13 LEU A 68 2.484 -0.677 -4.209 1.00 1.48 H new ATOM 0 HD21 LEU A 68 2.860 -0.357 -1.168 1.00 0.99 H new ATOM 0 HD22 LEU A 68 3.019 -1.877 -2.079 1.00 0.99 H new ATOM 0 HD23 LEU A 68 4.356 -1.313 -1.048 1.00 0.99 H new ATOM 1086 N GLU A 69 8.270 -2.258 -4.164 1.00 0.87 N ATOM 1087 CA GLU A 69 9.036 -3.338 -4.878 1.00 1.10 C ATOM 1088 C GLU A 69 10.247 -3.836 -4.083 1.00 1.20 C ATOM 1089 O GLU A 69 10.354 -5.015 -3.831 1.00 1.45 O ATOM 1090 CB GLU A 69 9.533 -2.819 -6.232 1.00 1.24 C ATOM 1091 CG GLU A 69 10.210 -3.976 -6.988 1.00 1.37 C ATOM 1092 CD GLU A 69 10.745 -3.491 -8.337 1.00 2.25 C ATOM 1093 OE1 GLU A 69 11.743 -2.790 -8.295 1.00 3.21 O ATOM 1094 OE2 GLU A 69 10.124 -3.839 -9.330 1.00 3.09 O ATOM 0 H GLU A 69 8.683 -1.326 -4.203 1.00 0.87 H new ATOM 0 HA GLU A 69 8.346 -4.172 -5.004 1.00 1.10 H new ATOM 0 HB2 GLU A 69 8.700 -2.424 -6.814 1.00 1.24 H new ATOM 0 HB3 GLU A 69 10.237 -2.000 -6.087 1.00 1.24 H new ATOM 0 HG2 GLU A 69 11.026 -4.381 -6.390 1.00 1.37 H new ATOM 0 HG3 GLU A 69 9.496 -4.785 -7.142 1.00 1.37 H new ATOM 1101 N GLN A 70 11.139 -2.940 -3.738 1.00 1.19 N ATOM 1102 CA GLN A 70 12.375 -3.334 -2.964 1.00 1.55 C ATOM 1103 C GLN A 70 12.099 -4.415 -1.907 1.00 1.70 C ATOM 1104 O GLN A 70 12.971 -5.195 -1.572 1.00 1.95 O ATOM 1105 CB GLN A 70 12.964 -2.104 -2.253 1.00 1.65 C ATOM 1106 CG GLN A 70 13.271 -0.993 -3.266 1.00 2.10 C ATOM 1107 CD GLN A 70 14.057 -1.563 -4.450 1.00 4.05 C ATOM 1108 OE1 GLN A 70 15.081 -2.193 -4.288 1.00 5.07 O ATOM 1109 NE2 GLN A 70 13.596 -1.380 -5.649 1.00 4.93 N ATOM 0 H GLN A 70 11.071 -1.946 -3.957 1.00 1.19 H new ATOM 0 HA GLN A 70 13.077 -3.742 -3.692 1.00 1.55 H new ATOM 0 HB2 GLN A 70 12.261 -1.738 -1.505 1.00 1.65 H new ATOM 0 HB3 GLN A 70 13.875 -2.384 -1.724 1.00 1.65 H new ATOM 0 HG2 GLN A 70 12.342 -0.545 -3.618 1.00 2.10 H new ATOM 0 HG3 GLN A 70 13.845 -0.201 -2.786 1.00 2.10 H new ATOM 0 HE21 GLN A 70 12.735 -0.851 -5.789 1.00 4.93 H new ATOM 0 HE22 GLN A 70 14.094 -1.765 -6.451 1.00 4.93 H new ATOM 1118 N ASN A 71 10.906 -4.396 -1.395 1.00 1.61 N ATOM 1119 CA ASN A 71 10.490 -5.375 -0.349 1.00 1.77 C ATOM 1120 C ASN A 71 9.412 -6.323 -0.878 1.00 1.72 C ATOM 1121 O ASN A 71 9.101 -7.317 -0.249 1.00 2.13 O ATOM 1122 CB ASN A 71 9.897 -4.596 0.807 1.00 1.76 C ATOM 1123 CG ASN A 71 8.909 -3.602 0.224 1.00 2.45 C ATOM 1124 OD1 ASN A 71 8.430 -3.739 -0.894 1.00 4.04 O ATOM 1125 ND2 ASN A 71 8.589 -2.584 0.908 1.00 1.94 N ATOM 0 H ASN A 71 10.182 -3.729 -1.661 1.00 1.61 H new ATOM 0 HA ASN A 71 11.359 -5.960 -0.047 1.00 1.77 H new ATOM 0 HB2 ASN A 71 9.399 -5.267 1.507 1.00 1.76 H new ATOM 0 HB3 ASN A 71 10.679 -4.079 1.363 1.00 1.76 H new ATOM 0 HD21 ASN A 71 7.942 -1.895 0.525 1.00 1.94 H new ATOM 0 HD22 ASN A 71 8.979 -2.454 1.842 1.00 1.94 H new ATOM 1132 N GLU A 72 8.860 -5.968 -2.011 1.00 1.72 N ATOM 1133 CA GLU A 72 7.765 -6.771 -2.622 1.00 1.88 C ATOM 1134 C GLU A 72 6.583 -6.747 -1.654 1.00 1.59 C ATOM 1135 O GLU A 72 5.992 -7.764 -1.337 1.00 2.01 O ATOM 1136 CB GLU A 72 8.221 -8.210 -2.890 1.00 2.37 C ATOM 1137 CG GLU A 72 9.225 -8.218 -4.045 1.00 3.22 C ATOM 1138 CD GLU A 72 9.709 -9.648 -4.298 1.00 3.61 C ATOM 1139 OE1 GLU A 72 8.851 -10.521 -4.346 1.00 4.37 O ATOM 1140 OE2 GLU A 72 10.910 -9.796 -4.445 1.00 4.18 O ATOM 0 H GLU A 72 9.129 -5.141 -2.545 1.00 1.72 H new ATOM 0 HA GLU A 72 7.478 -6.346 -3.584 1.00 1.88 H new ATOM 0 HB2 GLU A 72 8.677 -8.632 -1.994 1.00 2.37 H new ATOM 0 HB3 GLU A 72 7.363 -8.836 -3.135 1.00 2.37 H new ATOM 0 HG2 GLU A 72 8.761 -7.816 -4.946 1.00 3.22 H new ATOM 0 HG3 GLU A 72 10.072 -7.574 -3.808 1.00 3.22 H new ATOM 1147 N LEU A 73 6.282 -5.556 -1.193 1.00 1.10 N ATOM 1148 CA LEU A 73 5.157 -5.359 -0.247 1.00 1.06 C ATOM 1149 C LEU A 73 3.854 -5.687 -0.987 1.00 1.48 C ATOM 1150 O LEU A 73 3.215 -4.816 -1.556 1.00 2.51 O ATOM 1151 CB LEU A 73 5.204 -3.895 0.218 1.00 1.08 C ATOM 1152 CG LEU A 73 4.419 -3.684 1.519 1.00 1.23 C ATOM 1153 CD1 LEU A 73 5.081 -4.433 2.687 1.00 1.72 C ATOM 1154 CD2 LEU A 73 4.403 -2.183 1.845 1.00 2.06 C ATOM 0 H LEU A 73 6.782 -4.702 -1.442 1.00 1.10 H new ATOM 0 HA LEU A 73 5.221 -6.007 0.627 1.00 1.06 H new ATOM 0 HB2 LEU A 73 6.241 -3.594 0.367 1.00 1.08 H new ATOM 0 HB3 LEU A 73 4.794 -3.253 -0.562 1.00 1.08 H new ATOM 0 HG LEU A 73 3.407 -4.067 1.384 1.00 1.23 H new ATOM 0 HD11 LEU A 73 4.506 -4.268 3.598 1.00 1.72 H new ATOM 0 HD12 LEU A 73 5.111 -5.500 2.465 1.00 1.72 H new ATOM 0 HD13 LEU A 73 6.097 -4.063 2.827 1.00 1.72 H new ATOM 0 HD21 LEU A 73 3.848 -2.017 2.768 1.00 2.06 H new ATOM 0 HD22 LEU A 73 5.426 -1.826 1.967 1.00 2.06 H new ATOM 0 HD23 LEU A 73 3.924 -1.639 1.031 1.00 2.06 H new ATOM 1166 N GLN A 74 3.604 -6.972 -1.030 1.00 0.99 N ATOM 1167 CA GLN A 74 2.408 -7.590 -1.684 1.00 1.32 C ATOM 1168 C GLN A 74 1.493 -6.609 -2.444 1.00 1.34 C ATOM 1169 O GLN A 74 0.345 -6.409 -2.076 1.00 1.55 O ATOM 1170 CB GLN A 74 1.608 -8.325 -0.592 1.00 1.66 C ATOM 1171 CG GLN A 74 2.517 -9.253 0.248 1.00 1.96 C ATOM 1172 CD GLN A 74 3.147 -10.356 -0.619 1.00 2.24 C ATOM 1173 OE1 GLN A 74 3.798 -10.092 -1.610 1.00 3.25 O ATOM 1174 NE2 GLN A 74 2.991 -11.612 -0.282 1.00 3.16 N ATOM 0 H GLN A 74 4.226 -7.662 -0.608 1.00 0.99 H new ATOM 0 HA GLN A 74 2.778 -8.265 -2.455 1.00 1.32 H new ATOM 0 HB2 GLN A 74 1.127 -7.597 0.061 1.00 1.66 H new ATOM 0 HB3 GLN A 74 0.814 -8.912 -1.054 1.00 1.66 H new ATOM 0 HG2 GLN A 74 3.304 -8.664 0.719 1.00 1.96 H new ATOM 0 HG3 GLN A 74 1.935 -9.707 1.050 1.00 1.96 H new ATOM 0 HE21 GLN A 74 2.448 -11.854 0.547 1.00 3.16 H new ATOM 0 HE22 GLN A 74 3.413 -12.348 -0.848 1.00 3.16 H new ATOM 1183 N TYR A 75 2.011 -6.050 -3.509 1.00 1.33 N ATOM 1184 CA TYR A 75 1.190 -5.113 -4.325 1.00 1.38 C ATOM 1185 C TYR A 75 0.849 -5.838 -5.623 1.00 1.36 C ATOM 1186 O TYR A 75 1.632 -6.642 -6.086 1.00 1.37 O ATOM 1187 CB TYR A 75 1.975 -3.825 -4.629 1.00 1.34 C ATOM 1188 CG TYR A 75 3.207 -4.114 -5.506 1.00 1.23 C ATOM 1189 CD1 TYR A 75 4.359 -4.654 -4.962 1.00 1.15 C ATOM 1190 CD2 TYR A 75 3.184 -3.827 -6.860 1.00 1.42 C ATOM 1191 CE1 TYR A 75 5.460 -4.899 -5.759 1.00 1.24 C ATOM 1192 CE2 TYR A 75 4.291 -4.070 -7.651 1.00 1.49 C ATOM 1193 CZ TYR A 75 5.440 -4.606 -7.108 1.00 1.39 C ATOM 1194 OH TYR A 75 6.556 -4.823 -7.902 1.00 1.61 O ATOM 0 H TYR A 75 2.962 -6.203 -3.845 1.00 1.33 H new ATOM 0 HA TYR A 75 0.288 -4.825 -3.786 1.00 1.38 H new ATOM 0 HB2 TYR A 75 1.325 -3.111 -5.135 1.00 1.34 H new ATOM 0 HB3 TYR A 75 2.292 -3.361 -3.695 1.00 1.34 H new ATOM 0 HD1 TYR A 75 4.397 -4.885 -3.908 1.00 1.15 H new ATOM 0 HD2 TYR A 75 2.292 -3.409 -7.303 1.00 1.42 H new ATOM 0 HE1 TYR A 75 6.350 -5.326 -5.320 1.00 1.24 H new ATOM 0 HE2 TYR A 75 4.256 -3.838 -8.705 1.00 1.49 H new ATOM 0 HH TYR A 75 6.357 -4.560 -8.825 1.00 1.61 H new ATOM 1204 N GLU A 76 -0.285 -5.546 -6.183 1.00 1.40 N ATOM 1205 CA GLU A 76 -0.681 -6.238 -7.440 1.00 1.45 C ATOM 1206 C GLU A 76 -1.053 -5.212 -8.502 1.00 1.37 C ATOM 1207 O GLU A 76 -1.736 -4.243 -8.219 1.00 1.56 O ATOM 1208 CB GLU A 76 -1.885 -7.141 -7.144 1.00 1.67 C ATOM 1209 CG GLU A 76 -2.334 -7.883 -8.416 1.00 2.01 C ATOM 1210 CD GLU A 76 -3.659 -8.621 -8.166 1.00 2.49 C ATOM 1211 OE1 GLU A 76 -3.997 -8.812 -7.007 1.00 2.84 O ATOM 1212 OE2 GLU A 76 -4.295 -8.920 -9.167 1.00 3.56 O ATOM 0 H GLU A 76 -0.954 -4.862 -5.830 1.00 1.40 H new ATOM 0 HA GLU A 76 0.151 -6.837 -7.811 1.00 1.45 H new ATOM 0 HB2 GLU A 76 -1.623 -7.862 -6.370 1.00 1.67 H new ATOM 0 HB3 GLU A 76 -2.709 -6.542 -6.757 1.00 1.67 H new ATOM 0 HG2 GLU A 76 -2.454 -7.174 -9.235 1.00 2.01 H new ATOM 0 HG3 GLU A 76 -1.566 -8.594 -8.720 1.00 2.01 H new ATOM 1219 N VAL A 77 -0.610 -5.461 -9.699 1.00 1.34 N ATOM 1220 CA VAL A 77 -0.921 -4.535 -10.813 1.00 1.46 C ATOM 1221 C VAL A 77 -1.549 -5.365 -11.932 1.00 1.80 C ATOM 1222 O VAL A 77 -1.115 -6.473 -12.185 1.00 2.42 O ATOM 1223 CB VAL A 77 0.391 -3.863 -11.259 1.00 1.70 C ATOM 1224 CG1 VAL A 77 1.278 -4.852 -12.030 1.00 2.86 C ATOM 1225 CG2 VAL A 77 0.089 -2.641 -12.134 1.00 2.79 C ATOM 0 H VAL A 77 -0.043 -6.270 -9.953 1.00 1.34 H new ATOM 0 HA VAL A 77 -1.619 -3.750 -10.523 1.00 1.46 H new ATOM 0 HB VAL A 77 0.928 -3.541 -10.367 1.00 1.70 H new ATOM 0 HG11 VAL A 77 2.199 -4.354 -12.334 1.00 2.86 H new ATOM 0 HG12 VAL A 77 1.519 -5.700 -11.389 1.00 2.86 H new ATOM 0 HG13 VAL A 77 0.747 -5.204 -12.914 1.00 2.86 H new ATOM 0 HG21 VAL A 77 1.024 -2.175 -12.443 1.00 2.79 H new ATOM 0 HG22 VAL A 77 -0.469 -2.954 -13.016 1.00 2.79 H new ATOM 0 HG23 VAL A 77 -0.504 -1.924 -11.566 1.00 2.79 H new ATOM 1235 N LEU A 78 -2.517 -4.804 -12.604 1.00 2.29 N ATOM 1236 CA LEU A 78 -3.186 -5.563 -13.699 1.00 2.85 C ATOM 1237 C LEU A 78 -2.827 -4.934 -15.040 1.00 3.25 C ATOM 1238 O LEU A 78 -3.643 -4.847 -15.936 1.00 3.59 O ATOM 1239 CB LEU A 78 -4.703 -5.517 -13.470 1.00 2.93 C ATOM 1240 CG LEU A 78 -5.049 -6.236 -12.154 1.00 3.12 C ATOM 1241 CD1 LEU A 78 -6.499 -5.916 -11.777 1.00 3.49 C ATOM 1242 CD2 LEU A 78 -4.905 -7.757 -12.337 1.00 4.11 C ATOM 0 H LEU A 78 -2.871 -3.861 -12.444 1.00 2.29 H new ATOM 0 HA LEU A 78 -2.854 -6.601 -13.703 1.00 2.85 H new ATOM 0 HB2 LEU A 78 -5.044 -4.482 -13.431 1.00 2.93 H new ATOM 0 HB3 LEU A 78 -5.221 -5.992 -14.303 1.00 2.93 H new ATOM 0 HG LEU A 78 -4.372 -5.899 -11.369 1.00 3.12 H new ATOM 0 HD11 LEU A 78 -6.753 -6.422 -10.845 1.00 3.49 H new ATOM 0 HD12 LEU A 78 -6.612 -4.840 -11.648 1.00 3.49 H new ATOM 0 HD13 LEU A 78 -7.165 -6.259 -12.569 1.00 3.49 H new ATOM 0 HD21 LEU A 78 -5.151 -8.261 -11.402 1.00 4.11 H new ATOM 0 HD22 LEU A 78 -5.583 -8.095 -13.121 1.00 4.11 H new ATOM 0 HD23 LEU A 78 -3.879 -7.994 -12.618 1.00 4.11 H new ATOM 1254 N ILE A 79 -1.604 -4.491 -15.116 1.00 3.91 N ATOM 1255 CA ILE A 79 -1.090 -3.857 -16.366 1.00 4.76 C ATOM 1256 C ILE A 79 0.369 -4.305 -16.547 1.00 6.11 C ATOM 1257 O ILE A 79 1.288 -3.508 -16.456 1.00 7.30 O ATOM 1258 CB ILE A 79 -1.177 -2.318 -16.249 1.00 5.72 C ATOM 1259 CG1 ILE A 79 -2.613 -1.917 -15.848 1.00 5.84 C ATOM 1260 CG2 ILE A 79 -0.816 -1.682 -17.604 1.00 6.38 C ATOM 1261 CD1 ILE A 79 -2.802 -0.393 -15.937 1.00 7.43 C ATOM 0 H ILE A 79 -0.927 -4.541 -14.355 1.00 3.91 H new ATOM 0 HA ILE A 79 -1.685 -4.160 -17.228 1.00 4.76 H new ATOM 0 HB ILE A 79 -0.479 -1.966 -15.489 1.00 5.72 H new ATOM 0 HG12 ILE A 79 -3.330 -2.415 -16.501 1.00 5.84 H new ATOM 0 HG13 ILE A 79 -2.819 -2.254 -14.832 1.00 5.84 H new ATOM 0 HG21 ILE A 79 -0.877 -0.597 -17.524 1.00 6.38 H new ATOM 0 HG22 ILE A 79 0.198 -1.969 -17.882 1.00 6.38 H new ATOM 0 HG23 ILE A 79 -1.513 -2.029 -18.366 1.00 6.38 H new ATOM 0 HD11 ILE A 79 -3.821 -0.135 -15.650 1.00 7.43 H new ATOM 0 HD12 ILE A 79 -2.100 0.101 -15.265 1.00 7.43 H new ATOM 0 HD13 ILE A 79 -2.619 -0.063 -16.959 1.00 7.43 H new ATOM 1273 N ASN A 80 0.551 -5.584 -16.741 1.00 6.48 N ATOM 1274 CA ASN A 80 1.935 -6.119 -16.923 1.00 8.27 C ATOM 1275 C ASN A 80 2.095 -6.765 -18.303 1.00 9.46 C ATOM 1276 O ASN A 80 2.846 -6.271 -19.117 1.00 10.64 O ATOM 1277 CB ASN A 80 2.220 -7.151 -15.817 1.00 8.80 C ATOM 1278 CG ASN A 80 1.117 -8.209 -15.805 1.00 8.55 C ATOM 1279 OD1 ASN A 80 -0.026 -7.914 -15.531 1.00 8.43 O ATOM 1280 ND2 ASN A 80 1.393 -9.436 -16.137 1.00 9.01 N ATOM 0 H ASN A 80 -0.194 -6.280 -16.781 1.00 6.48 H new ATOM 0 HA ASN A 80 2.647 -5.297 -16.855 1.00 8.27 H new ATOM 0 HB2 ASN A 80 3.188 -7.623 -15.987 1.00 8.80 H new ATOM 0 HB3 ASN A 80 2.272 -6.655 -14.848 1.00 8.80 H new ATOM 0 HD21 ASN A 80 0.652 -10.136 -16.164 1.00 9.01 H new ATOM 0 HD22 ASN A 80 2.351 -9.698 -16.370 1.00 9.01 H new ATOM 1287 N ASN A 81 1.399 -7.849 -18.539 1.00 9.55 N ATOM 1288 CA ASN A 81 1.504 -8.538 -19.851 1.00 11.16 C ATOM 1289 C ASN A 81 0.175 -9.234 -20.147 1.00 11.20 C ATOM 1290 O ASN A 81 -0.381 -8.922 -21.184 1.00 11.57 O ATOM 1291 CB ASN A 81 2.639 -9.570 -19.779 1.00 12.64 C ATOM 1292 CG ASN A 81 2.928 -10.169 -21.159 1.00 14.18 C ATOM 1293 OD1 ASN A 81 2.090 -10.002 -22.138 1.00 15.69 O flip ATOM 1294 ND2 ASN A 81 3.934 -10.814 -21.356 1.00 14.15 N flip ATOM 1295 OXT ASN A 81 -0.231 -10.063 -19.304 1.00 11.27 O ATOM 0 H ASN A 81 0.761 -8.284 -17.873 1.00 9.55 H new ATOM 0 HA ASN A 81 1.720 -7.823 -20.645 1.00 11.16 H new ATOM 0 HB2 ASN A 81 3.540 -9.097 -19.388 1.00 12.64 H new ATOM 0 HB3 ASN A 81 2.369 -10.365 -19.084 1.00 12.64 H new ATOM 0 HD21 ASN A 81 4.604 -10.957 -20.601 1.00 14.15 H new ATOM 0 HD22 ASN A 81 4.111 -11.215 -22.277 1.00 14.15 H new TER 1302 ASN A 81