USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 THR OG1 : rot 139:sc= 0.579 USER MOD Set 1.2: A 45 THR OG1 : rot 48:sc= 0.0591! USER MOD Set 2.1: A 18 HIS : no HD1:sc= -1.03 K(o=-1.4,f=1.2) USER MOD Set 2.2: A 29 TYR OH : rot -133:sc= -0.415 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.216 K(o=-0.22,f=-1.5!) USER MOD Single : A 14 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.28) USER MOD Single : A 16 MET CE :methyl -110:sc= -2.55! (180deg=-4.92!) USER MOD Single : A 19 GLN : amide:sc=-0.00808 X(o=-0.0081,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.19) USER MOD Single : A 23 MET CE :methyl -120:sc= -0.189 (180deg=-3.56!) USER MOD Single : A 26 GLN : amide:sc= -0.352 K(o=-0.35,f=-1.3!) USER MOD Single : A 30 HIS : no HD1:sc= -2.21! K(o=-2.2!,f=-0.89) USER MOD Single : A 34 GLN : amide:sc= -1.43 K(o=-1.4,f=-3.4!) USER MOD Single : A 37 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.42) USER MOD Single : A 41 SER OG : rot 31:sc= 1.27 USER MOD Single : A 46 THR OG1 : rot -46:sc= 0.548 USER MOD Single : A 48 ASN : amide:sc= -5.3! K(o=-5.3!,f=-2.3) USER MOD Single : A 55 GLN : amide:sc=-0.00263 X(o=-0.0026,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.210 -5.850 10.060 1.00 0.00 N ATOM 2 CA GLY A 1 -33.704 -5.421 8.762 1.00 0.00 C ATOM 3 C GLY A 1 -32.548 -5.102 7.813 1.00 0.00 C ATOM 4 O GLY A 1 -31.956 -4.027 7.890 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.014 -6.060 10.685 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.628 -6.704 9.945 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.634 -5.093 10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.328 -6.203 8.330 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.334 -4.540 8.882 1.00 0.00 H new ATOM 8 N SER A 2 -32.261 -6.056 6.939 1.00 0.00 N ATOM 9 CA SER A 2 -31.186 -5.890 5.976 1.00 0.00 C ATOM 10 C SER A 2 -31.468 -6.728 4.727 1.00 0.00 C ATOM 11 O SER A 2 -31.952 -7.854 4.827 1.00 0.00 O ATOM 12 CB SER A 2 -29.837 -6.280 6.583 1.00 0.00 C ATOM 13 OG SER A 2 -29.638 -7.691 6.581 1.00 0.00 O ATOM 0 H SER A 2 -32.755 -6.947 6.878 1.00 0.00 H new ATOM 0 HA SER A 2 -31.137 -4.838 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.035 -5.800 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.778 -5.907 7.606 1.00 0.00 H new ATOM 0 HG SER A 2 -28.765 -7.899 6.975 1.00 0.00 H new ATOM 19 N SER A 3 -31.152 -6.146 3.580 1.00 0.00 N ATOM 20 CA SER A 3 -31.366 -6.825 2.313 1.00 0.00 C ATOM 21 C SER A 3 -30.347 -7.954 2.146 1.00 0.00 C ATOM 22 O SER A 3 -29.275 -7.921 2.749 1.00 0.00 O ATOM 23 CB SER A 3 -31.271 -5.846 1.140 1.00 0.00 C ATOM 24 OG SER A 3 -29.975 -5.261 1.038 1.00 0.00 O ATOM 0 H SER A 3 -30.750 -5.212 3.501 1.00 0.00 H new ATOM 0 HA SER A 3 -32.370 -7.248 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.508 -6.367 0.212 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.016 -5.059 1.263 1.00 0.00 H new ATOM 0 HG SER A 3 -29.954 -4.644 0.277 1.00 0.00 H new ATOM 30 N GLY A 4 -30.717 -8.926 1.325 1.00 0.00 N ATOM 31 CA GLY A 4 -29.849 -10.063 1.072 1.00 0.00 C ATOM 32 C GLY A 4 -29.290 -10.019 -0.352 1.00 0.00 C ATOM 33 O GLY A 4 -29.662 -10.834 -1.194 1.00 0.00 O ATOM 0 H GLY A 4 -31.607 -8.949 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.028 -10.065 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.404 -10.989 1.220 1.00 0.00 H new ATOM 37 N SER A 5 -28.405 -9.058 -0.576 1.00 0.00 N ATOM 38 CA SER A 5 -27.790 -8.898 -1.883 1.00 0.00 C ATOM 39 C SER A 5 -26.710 -7.815 -1.824 1.00 0.00 C ATOM 40 O SER A 5 -26.997 -6.636 -2.026 1.00 0.00 O ATOM 41 CB SER A 5 -28.836 -8.547 -2.944 1.00 0.00 C ATOM 42 OG SER A 5 -28.517 -9.109 -4.214 1.00 0.00 O ATOM 0 H SER A 5 -28.100 -8.383 0.125 1.00 0.00 H new ATOM 0 HA SER A 5 -27.330 -9.846 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.813 -8.908 -2.623 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.910 -7.463 -3.035 1.00 0.00 H new ATOM 0 HG SER A 5 -29.209 -8.864 -4.863 1.00 0.00 H new ATOM 48 N SER A 6 -25.492 -8.255 -1.546 1.00 0.00 N ATOM 49 CA SER A 6 -24.368 -7.338 -1.458 1.00 0.00 C ATOM 50 C SER A 6 -23.115 -7.988 -2.050 1.00 0.00 C ATOM 51 O SER A 6 -22.738 -9.090 -1.655 1.00 0.00 O ATOM 52 CB SER A 6 -24.113 -6.917 -0.009 1.00 0.00 C ATOM 53 OG SER A 6 -24.847 -5.748 0.344 1.00 0.00 O ATOM 0 H SER A 6 -25.259 -9.234 -1.379 1.00 0.00 H new ATOM 0 HA SER A 6 -24.611 -6.443 -2.031 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.388 -7.733 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.048 -6.733 0.133 1.00 0.00 H new ATOM 0 HG SER A 6 -24.659 -5.513 1.276 1.00 0.00 H new ATOM 59 N GLY A 7 -22.506 -7.277 -2.988 1.00 0.00 N ATOM 60 CA GLY A 7 -21.304 -7.771 -3.638 1.00 0.00 C ATOM 61 C GLY A 7 -21.024 -7.001 -4.930 1.00 0.00 C ATOM 62 O GLY A 7 -21.417 -7.433 -6.013 1.00 0.00 O ATOM 0 H GLY A 7 -22.822 -6.363 -3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.455 -7.675 -2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.416 -8.832 -3.860 1.00 0.00 H new ATOM 66 N ALA A 8 -20.347 -5.873 -4.774 1.00 0.00 N ATOM 67 CA ALA A 8 -20.010 -5.038 -5.915 1.00 0.00 C ATOM 68 C ALA A 8 -18.504 -4.767 -5.915 1.00 0.00 C ATOM 69 O ALA A 8 -17.825 -5.013 -4.920 1.00 0.00 O ATOM 70 CB ALA A 8 -20.834 -3.750 -5.867 1.00 0.00 C ATOM 0 H ALA A 8 -20.023 -5.517 -3.875 1.00 0.00 H new ATOM 0 HA ALA A 8 -20.254 -5.546 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -20.581 -3.124 -6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -21.895 -3.996 -5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.613 -3.211 -4.946 1.00 0.00 H new ATOM 76 N SER A 9 -18.027 -4.263 -7.044 1.00 0.00 N ATOM 77 CA SER A 9 -16.614 -3.955 -7.187 1.00 0.00 C ATOM 78 C SER A 9 -16.287 -2.647 -6.463 1.00 0.00 C ATOM 79 O SER A 9 -16.225 -1.588 -7.085 1.00 0.00 O ATOM 80 CB SER A 9 -16.218 -3.859 -8.662 1.00 0.00 C ATOM 81 OG SER A 9 -16.243 -5.130 -9.305 1.00 0.00 O ATOM 0 H SER A 9 -18.594 -4.060 -7.868 1.00 0.00 H new ATOM 0 HA SER A 9 -16.040 -4.765 -6.737 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.897 -3.179 -9.176 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.218 -3.432 -8.742 1.00 0.00 H new ATOM 0 HG SER A 9 -15.986 -5.026 -10.245 1.00 0.00 H new ATOM 87 N ASN A 10 -16.086 -2.764 -5.159 1.00 0.00 N ATOM 88 CA ASN A 10 -15.768 -1.604 -4.344 1.00 0.00 C ATOM 89 C ASN A 10 -14.265 -1.585 -4.058 1.00 0.00 C ATOM 90 O ASN A 10 -13.562 -0.664 -4.472 1.00 0.00 O ATOM 91 CB ASN A 10 -16.503 -1.654 -3.003 1.00 0.00 C ATOM 92 CG ASN A 10 -17.826 -0.888 -3.075 1.00 0.00 C ATOM 93 OD1 ASN A 10 -18.905 -1.457 -3.048 1.00 0.00 O ATOM 94 ND2 ASN A 10 -17.682 0.431 -3.167 1.00 0.00 N ATOM 0 H ASN A 10 -16.137 -3.644 -4.646 1.00 0.00 H new ATOM 0 HA ASN A 10 -16.076 -0.713 -4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.693 -2.691 -2.727 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.873 -1.227 -2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.505 1.031 -3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.749 0.842 -3.185 1.00 0.00 H new ATOM 101 N SER A 11 -13.816 -2.612 -3.351 1.00 0.00 N ATOM 102 CA SER A 11 -12.409 -2.725 -3.005 1.00 0.00 C ATOM 103 C SER A 11 -11.906 -1.402 -2.424 1.00 0.00 C ATOM 104 O SER A 11 -11.425 -0.540 -3.159 1.00 0.00 O ATOM 105 CB SER A 11 -11.572 -3.122 -4.223 1.00 0.00 C ATOM 106 OG SER A 11 -12.005 -4.357 -4.788 1.00 0.00 O ATOM 0 H SER A 11 -14.402 -3.373 -3.008 1.00 0.00 H new ATOM 0 HA SER A 11 -12.303 -3.508 -2.255 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.633 -2.337 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.525 -3.204 -3.932 1.00 0.00 H new ATOM 0 HG SER A 11 -11.447 -4.575 -5.564 1.00 0.00 H new ATOM 112 N GLN A 12 -12.034 -1.282 -1.111 1.00 0.00 N ATOM 113 CA GLN A 12 -11.597 -0.079 -0.423 1.00 0.00 C ATOM 114 C GLN A 12 -10.075 0.054 -0.499 1.00 0.00 C ATOM 115 O GLN A 12 -9.548 1.162 -0.585 1.00 0.00 O ATOM 116 CB GLN A 12 -12.077 -0.074 1.030 1.00 0.00 C ATOM 117 CG GLN A 12 -12.186 1.355 1.566 1.00 0.00 C ATOM 118 CD GLN A 12 -11.054 1.660 2.549 1.00 0.00 C ATOM 119 OE1 GLN A 12 -10.555 0.795 3.249 1.00 0.00 O ATOM 120 NE2 GLN A 12 -10.679 2.936 2.563 1.00 0.00 N ATOM 0 H GLN A 12 -12.434 -1.998 -0.505 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.042 0.783 -0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.047 -0.567 1.098 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.385 -0.646 1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.153 2.062 0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.148 1.489 2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.139 3.610 1.951 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.931 3.241 3.186 1.00 0.00 H new ATOM 129 N LEU A 13 -9.411 -1.092 -0.465 1.00 0.00 N ATOM 130 CA LEU A 13 -7.959 -1.118 -0.528 1.00 0.00 C ATOM 131 C LEU A 13 -7.501 -0.522 -1.861 1.00 0.00 C ATOM 132 O LEU A 13 -6.700 0.411 -1.884 1.00 0.00 O ATOM 133 CB LEU A 13 -7.437 -2.534 -0.276 1.00 0.00 C ATOM 134 CG LEU A 13 -7.027 -2.851 1.164 1.00 0.00 C ATOM 135 CD1 LEU A 13 -7.453 -4.267 1.556 1.00 0.00 C ATOM 136 CD2 LEU A 13 -5.528 -2.626 1.369 1.00 0.00 C ATOM 0 H LEU A 13 -9.851 -2.009 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.532 -0.501 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.208 -3.243 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.577 -2.703 -0.923 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.550 -2.162 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.150 -4.467 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.536 -4.357 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.977 -4.987 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.263 -2.858 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.967 -3.274 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.284 -1.585 1.157 1.00 0.00 H new ATOM 148 N ASN A 14 -8.029 -1.086 -2.937 1.00 0.00 N ATOM 149 CA ASN A 14 -7.684 -0.621 -4.270 1.00 0.00 C ATOM 150 C ASN A 14 -7.640 0.908 -4.278 1.00 0.00 C ATOM 151 O ASN A 14 -6.810 1.506 -4.960 1.00 0.00 O ATOM 152 CB ASN A 14 -8.726 -1.070 -5.297 1.00 0.00 C ATOM 153 CG ASN A 14 -8.146 -2.124 -6.242 1.00 0.00 C ATOM 154 OD1 ASN A 14 -7.036 -2.011 -6.733 1.00 0.00 O ATOM 155 ND2 ASN A 14 -8.958 -3.153 -6.467 1.00 0.00 N ATOM 0 H ASN A 14 -8.693 -1.860 -2.913 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.714 -1.042 -4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.597 -1.477 -4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.069 -0.210 -5.872 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.663 -3.910 -7.083 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.876 -3.185 -6.023 1.00 0.00 H new ATOM 162 N ALA A 15 -8.546 1.498 -3.510 1.00 0.00 N ATOM 163 CA ALA A 15 -8.621 2.946 -3.420 1.00 0.00 C ATOM 164 C ALA A 15 -7.436 3.464 -2.603 1.00 0.00 C ATOM 165 O ALA A 15 -6.749 4.394 -3.021 1.00 0.00 O ATOM 166 CB ALA A 15 -9.967 3.350 -2.816 1.00 0.00 C ATOM 0 H ALA A 15 -9.233 0.999 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.560 3.396 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.024 4.436 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.775 2.983 -3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.063 2.919 -1.820 1.00 0.00 H new ATOM 172 N MET A 16 -7.233 2.839 -1.452 1.00 0.00 N ATOM 173 CA MET A 16 -6.144 3.225 -0.572 1.00 0.00 C ATOM 174 C MET A 16 -4.827 3.330 -1.344 1.00 0.00 C ATOM 175 O MET A 16 -4.056 4.267 -1.140 1.00 0.00 O ATOM 176 CB MET A 16 -5.999 2.192 0.546 1.00 0.00 C ATOM 177 CG MET A 16 -7.267 2.125 1.399 1.00 0.00 C ATOM 178 SD MET A 16 -6.841 1.811 3.104 1.00 0.00 S ATOM 179 CE MET A 16 -6.410 0.082 3.002 1.00 0.00 C ATOM 0 H MET A 16 -7.805 2.067 -1.109 1.00 0.00 H new ATOM 0 HA MET A 16 -6.374 4.202 -0.147 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.794 1.212 0.116 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.147 2.449 1.175 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.818 3.062 1.320 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.923 1.337 1.029 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.169 -0.513 3.510 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.355 -0.218 1.956 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.443 -0.081 3.478 1.00 0.00 H new ATOM 189 N ALA A 17 -4.609 2.356 -2.215 1.00 0.00 N ATOM 190 CA ALA A 17 -3.399 2.327 -3.019 1.00 0.00 C ATOM 191 C ALA A 17 -3.223 3.676 -3.718 1.00 0.00 C ATOM 192 O ALA A 17 -2.260 4.395 -3.455 1.00 0.00 O ATOM 193 CB ALA A 17 -3.471 1.163 -4.009 1.00 0.00 C ATOM 0 H ALA A 17 -5.250 1.580 -2.382 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.524 2.166 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.563 1.142 -4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.565 0.225 -3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.336 1.292 -4.660 1.00 0.00 H new ATOM 199 N HIS A 18 -4.170 3.980 -4.594 1.00 0.00 N ATOM 200 CA HIS A 18 -4.132 5.231 -5.333 1.00 0.00 C ATOM 201 C HIS A 18 -3.810 6.382 -4.377 1.00 0.00 C ATOM 202 O HIS A 18 -2.837 7.108 -4.579 1.00 0.00 O ATOM 203 CB HIS A 18 -5.436 5.447 -6.103 1.00 0.00 C ATOM 204 CG HIS A 18 -5.365 5.045 -7.556 1.00 0.00 C ATOM 205 ND1 HIS A 18 -4.638 5.755 -8.496 1.00 0.00 N ATOM 206 CD2 HIS A 18 -5.936 3.999 -8.221 1.00 0.00 C ATOM 207 CE1 HIS A 18 -4.773 5.155 -9.670 1.00 0.00 C ATOM 208 NE2 HIS A 18 -5.578 4.068 -9.497 1.00 0.00 N ATOM 0 H HIS A 18 -4.968 3.382 -4.808 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.339 5.192 -6.080 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.230 4.880 -5.618 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.712 6.500 -6.041 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -6.571 3.243 -7.783 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.324 5.471 -10.600 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.859 3.415 -10.228 1.00 0.00 H new ATOM 216 N GLN A 19 -4.645 6.513 -3.357 1.00 0.00 N ATOM 217 CA GLN A 19 -4.462 7.563 -2.370 1.00 0.00 C ATOM 218 C GLN A 19 -2.974 7.752 -2.066 1.00 0.00 C ATOM 219 O GLN A 19 -2.459 8.867 -2.140 1.00 0.00 O ATOM 220 CB GLN A 19 -5.247 7.258 -1.092 1.00 0.00 C ATOM 221 CG GLN A 19 -6.752 7.400 -1.327 1.00 0.00 C ATOM 222 CD GLN A 19 -7.336 8.527 -0.474 1.00 0.00 C ATOM 223 OE1 GLN A 19 -7.084 9.701 -0.692 1.00 0.00 O ATOM 224 NE2 GLN A 19 -8.129 8.107 0.509 1.00 0.00 N ATOM 0 H GLN A 19 -5.450 5.909 -3.193 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.851 8.494 -2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.022 6.246 -0.755 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.934 7.936 -0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.942 7.601 -2.381 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.251 6.461 -1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.298 7.109 0.637 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.567 8.783 1.135 1.00 0.00 H new ATOM 233 N ILE A 20 -2.325 6.647 -1.732 1.00 0.00 N ATOM 234 CA ILE A 20 -0.907 6.677 -1.417 1.00 0.00 C ATOM 235 C ILE A 20 -0.118 7.048 -2.674 1.00 0.00 C ATOM 236 O ILE A 20 0.664 7.997 -2.663 1.00 0.00 O ATOM 237 CB ILE A 20 -0.470 5.354 -0.784 1.00 0.00 C ATOM 238 CG1 ILE A 20 -1.299 5.043 0.463 1.00 0.00 C ATOM 239 CG2 ILE A 20 1.031 5.357 -0.489 1.00 0.00 C ATOM 240 CD1 ILE A 20 -1.228 3.555 0.811 1.00 0.00 C ATOM 0 H ILE A 20 -2.755 5.724 -1.673 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.699 7.444 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.655 4.554 -1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.935 5.634 1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.337 5.332 0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.315 4.406 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.584 5.500 -1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.265 6.168 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.826 3.361 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.615 2.968 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.192 3.275 1.001 1.00 0.00 H new ATOM 252 N GLN A 21 -0.350 6.279 -3.728 1.00 0.00 N ATOM 253 CA GLN A 21 0.329 6.515 -4.991 1.00 0.00 C ATOM 254 C GLN A 21 0.470 8.017 -5.246 1.00 0.00 C ATOM 255 O GLN A 21 1.518 8.479 -5.694 1.00 0.00 O ATOM 256 CB GLN A 21 -0.405 5.829 -6.144 1.00 0.00 C ATOM 257 CG GLN A 21 0.571 5.427 -7.253 1.00 0.00 C ATOM 258 CD GLN A 21 0.211 6.109 -8.574 1.00 0.00 C ATOM 259 OE1 GLN A 21 -0.933 6.134 -8.999 1.00 0.00 O ATOM 260 NE2 GLN A 21 1.248 6.661 -9.198 1.00 0.00 N ATOM 0 H GLN A 21 -0.999 5.492 -3.733 1.00 0.00 H new ATOM 0 HA GLN A 21 1.328 6.082 -4.931 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.925 4.945 -5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.163 6.500 -6.548 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.587 5.698 -6.965 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.555 4.345 -7.382 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.180 6.604 -8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.111 7.141 -10.087 1.00 0.00 H new ATOM 269 N GLU A 22 -0.602 8.737 -4.949 1.00 0.00 N ATOM 270 CA GLU A 22 -0.612 10.178 -5.141 1.00 0.00 C ATOM 271 C GLU A 22 0.557 10.821 -4.392 1.00 0.00 C ATOM 272 O GLU A 22 1.443 11.413 -5.006 1.00 0.00 O ATOM 273 CB GLU A 22 -1.946 10.781 -4.697 1.00 0.00 C ATOM 274 CG GLU A 22 -3.047 10.486 -5.717 1.00 0.00 C ATOM 275 CD GLU A 22 -3.237 11.665 -6.674 1.00 0.00 C ATOM 276 OE1 GLU A 22 -3.506 12.773 -6.163 1.00 0.00 O ATOM 277 OE2 GLU A 22 -3.109 11.430 -7.896 1.00 0.00 O ATOM 0 H GLU A 22 -1.469 8.350 -4.577 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.494 10.384 -6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.227 10.375 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.839 11.859 -4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.792 9.590 -6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.983 10.280 -5.198 1.00 0.00 H new ATOM 284 N MET A 23 0.522 10.682 -3.074 1.00 0.00 N ATOM 285 CA MET A 23 1.568 11.242 -2.235 1.00 0.00 C ATOM 286 C MET A 23 2.906 10.544 -2.487 1.00 0.00 C ATOM 287 O MET A 23 3.956 11.185 -2.475 1.00 0.00 O ATOM 288 CB MET A 23 1.179 11.085 -0.763 1.00 0.00 C ATOM 289 CG MET A 23 0.066 12.063 -0.383 1.00 0.00 C ATOM 290 SD MET A 23 0.286 12.614 1.300 1.00 0.00 S ATOM 291 CE MET A 23 -0.274 11.164 2.177 1.00 0.00 C ATOM 0 H MET A 23 -0.214 10.190 -2.567 1.00 0.00 H new ATOM 0 HA MET A 23 1.679 12.298 -2.481 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.849 10.063 -0.577 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.051 11.258 -0.132 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.076 12.918 -1.059 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.906 11.581 -0.493 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.125 11.425 2.806 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.574 10.399 1.461 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.534 10.781 2.800 1.00 0.00 H new ATOM 301 N PHE A 24 2.825 9.240 -2.710 1.00 0.00 N ATOM 302 CA PHE A 24 4.016 8.449 -2.964 1.00 0.00 C ATOM 303 C PHE A 24 3.857 7.611 -4.234 1.00 0.00 C ATOM 304 O PHE A 24 3.563 6.418 -4.162 1.00 0.00 O ATOM 305 CB PHE A 24 4.195 7.512 -1.768 1.00 0.00 C ATOM 306 CG PHE A 24 3.879 8.159 -0.418 1.00 0.00 C ATOM 307 CD1 PHE A 24 2.593 8.452 -0.088 1.00 0.00 C ATOM 308 CD2 PHE A 24 4.885 8.442 0.452 1.00 0.00 C ATOM 309 CE1 PHE A 24 2.300 9.052 1.165 1.00 0.00 C ATOM 310 CE2 PHE A 24 4.592 9.043 1.705 1.00 0.00 C ATOM 311 CZ PHE A 24 3.306 9.335 2.035 1.00 0.00 C ATOM 0 H PHE A 24 1.952 8.712 -2.720 1.00 0.00 H new ATOM 0 HA PHE A 24 4.876 9.105 -3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.552 6.642 -1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.223 7.150 -1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.794 8.228 -0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.907 8.210 0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.278 9.284 1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.391 9.268 2.396 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.083 9.792 2.988 1.00 0.00 H new ATOM 321 N PRO A 25 4.062 8.285 -5.397 1.00 0.00 N ATOM 322 CA PRO A 25 3.944 7.615 -6.681 1.00 0.00 C ATOM 323 C PRO A 25 5.156 6.719 -6.946 1.00 0.00 C ATOM 324 O PRO A 25 5.028 5.659 -7.557 1.00 0.00 O ATOM 325 CB PRO A 25 3.801 8.735 -7.698 1.00 0.00 C ATOM 326 CG PRO A 25 4.308 9.991 -7.008 1.00 0.00 C ATOM 327 CD PRO A 25 4.411 9.697 -5.521 1.00 0.00 C ATOM 0 HA PRO A 25 3.088 6.942 -6.726 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.380 8.523 -8.597 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.762 8.851 -8.007 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.280 10.280 -7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.629 10.825 -7.186 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.417 9.890 -5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.731 10.325 -4.945 1.00 0.00 H new ATOM 335 N GLN A 26 6.305 7.177 -6.472 1.00 0.00 N ATOM 336 CA GLN A 26 7.539 6.431 -6.649 1.00 0.00 C ATOM 337 C GLN A 26 7.288 4.935 -6.447 1.00 0.00 C ATOM 338 O GLN A 26 7.616 4.124 -7.312 1.00 0.00 O ATOM 339 CB GLN A 26 8.628 6.937 -5.701 1.00 0.00 C ATOM 340 CG GLN A 26 8.185 6.814 -4.242 1.00 0.00 C ATOM 341 CD GLN A 26 9.084 7.644 -3.324 1.00 0.00 C ATOM 342 OE1 GLN A 26 9.903 8.434 -3.764 1.00 0.00 O ATOM 343 NE2 GLN A 26 8.887 7.421 -2.028 1.00 0.00 N ATOM 0 H GLN A 26 6.407 8.056 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 26 7.891 6.587 -7.669 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.544 6.367 -5.856 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.858 7.978 -5.928 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.152 7.147 -4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.214 5.768 -3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.184 6.745 -1.728 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.439 7.926 -1.334 1.00 0.00 H new ATOM 352 N VAL A 27 6.708 4.615 -5.300 1.00 0.00 N ATOM 353 CA VAL A 27 6.410 3.231 -4.973 1.00 0.00 C ATOM 354 C VAL A 27 5.382 2.687 -5.968 1.00 0.00 C ATOM 355 O VAL A 27 4.466 3.401 -6.372 1.00 0.00 O ATOM 356 CB VAL A 27 5.948 3.124 -3.518 1.00 0.00 C ATOM 357 CG1 VAL A 27 4.794 4.088 -3.237 1.00 0.00 C ATOM 358 CG2 VAL A 27 5.559 1.686 -3.170 1.00 0.00 C ATOM 0 H VAL A 27 6.436 5.290 -4.585 1.00 0.00 H new ATOM 0 HA VAL A 27 7.306 2.616 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 27 6.784 3.408 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.485 3.992 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.120 5.111 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.954 3.849 -3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.235 1.638 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.746 1.362 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.419 1.032 -3.312 1.00 0.00 H new ATOM 368 N PRO A 28 5.573 1.393 -6.342 1.00 0.00 N ATOM 369 CA PRO A 28 4.674 0.745 -7.281 1.00 0.00 C ATOM 370 C PRO A 28 3.345 0.391 -6.612 1.00 0.00 C ATOM 371 O PRO A 28 3.279 0.242 -5.393 1.00 0.00 O ATOM 372 CB PRO A 28 5.434 -0.475 -7.776 1.00 0.00 C ATOM 373 CG PRO A 28 6.534 -0.722 -6.756 1.00 0.00 C ATOM 374 CD PRO A 28 6.647 0.517 -5.883 1.00 0.00 C ATOM 0 HA PRO A 28 4.399 1.391 -8.115 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.775 -1.339 -7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.852 -0.299 -8.767 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.302 -1.597 -6.149 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.481 -0.924 -7.257 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.532 0.270 -4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.621 0.993 -5.995 1.00 0.00 H new ATOM 382 N TYR A 29 2.317 0.266 -7.439 1.00 0.00 N ATOM 383 CA TYR A 29 0.993 -0.068 -6.943 1.00 0.00 C ATOM 384 C TYR A 29 0.960 -1.492 -6.385 1.00 0.00 C ATOM 385 O TYR A 29 0.412 -1.728 -5.309 1.00 0.00 O ATOM 386 CB TYR A 29 0.056 0.016 -8.150 1.00 0.00 C ATOM 387 CG TYR A 29 -1.367 0.458 -7.803 1.00 0.00 C ATOM 388 CD1 TYR A 29 -1.638 1.790 -7.565 1.00 0.00 C ATOM 389 CD2 TYR A 29 -2.380 -0.476 -7.729 1.00 0.00 C ATOM 390 CE1 TYR A 29 -2.977 2.205 -7.239 1.00 0.00 C ATOM 391 CE2 TYR A 29 -3.720 -0.061 -7.403 1.00 0.00 C ATOM 392 CZ TYR A 29 -3.952 1.259 -7.174 1.00 0.00 C ATOM 393 OH TYR A 29 -5.218 1.652 -6.866 1.00 0.00 O ATOM 0 H TYR A 29 2.375 0.390 -8.450 1.00 0.00 H new ATOM 0 HA TYR A 29 0.702 0.610 -6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.476 0.713 -8.875 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.015 -0.960 -8.634 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.845 2.521 -7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.168 -1.518 -7.916 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.202 3.244 -7.050 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.522 -0.782 -7.342 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.586 1.060 -6.177 1.00 0.00 H new ATOM 403 N HIS A 30 1.552 -2.404 -7.142 1.00 0.00 N ATOM 404 CA HIS A 30 1.597 -3.798 -6.737 1.00 0.00 C ATOM 405 C HIS A 30 2.118 -3.899 -5.302 1.00 0.00 C ATOM 406 O HIS A 30 1.433 -4.422 -4.424 1.00 0.00 O ATOM 407 CB HIS A 30 2.421 -4.625 -7.726 1.00 0.00 C ATOM 408 CG HIS A 30 2.709 -6.033 -7.260 1.00 0.00 C ATOM 409 ND1 HIS A 30 2.473 -7.146 -8.047 1.00 0.00 N ATOM 410 CD2 HIS A 30 3.215 -6.495 -6.081 1.00 0.00 C ATOM 411 CE1 HIS A 30 2.825 -8.225 -7.363 1.00 0.00 C ATOM 412 NE2 HIS A 30 3.284 -7.819 -6.144 1.00 0.00 N ATOM 0 H HIS A 30 2.005 -2.204 -8.034 1.00 0.00 H new ATOM 0 HA HIS A 30 0.591 -4.217 -6.752 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.890 -4.670 -8.677 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.366 -4.114 -7.912 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.510 -5.887 -5.239 1.00 0.00 H new ATOM 0 HE1 HIS A 30 2.760 -9.246 -7.709 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.624 -8.432 -5.403 1.00 0.00 H new ATOM 420 N LEU A 31 3.326 -3.390 -5.107 1.00 0.00 N ATOM 421 CA LEU A 31 3.946 -3.416 -3.794 1.00 0.00 C ATOM 422 C LEU A 31 2.983 -2.819 -2.767 1.00 0.00 C ATOM 423 O LEU A 31 2.657 -3.460 -1.769 1.00 0.00 O ATOM 424 CB LEU A 31 5.311 -2.725 -3.832 1.00 0.00 C ATOM 425 CG LEU A 31 6.428 -3.484 -4.551 1.00 0.00 C ATOM 426 CD1 LEU A 31 7.762 -2.748 -4.422 1.00 0.00 C ATOM 427 CD2 LEU A 31 6.519 -4.927 -4.051 1.00 0.00 C ATOM 0 H LEU A 31 3.892 -2.957 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 31 4.143 -4.443 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.191 -1.754 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.629 -2.536 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 31 6.185 -3.525 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.539 -3.309 -4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.674 -1.755 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.026 -2.654 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.321 -5.445 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.728 -4.929 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.574 -5.437 -4.237 1.00 0.00 H new ATOM 439 N VAL A 32 2.553 -1.597 -3.047 1.00 0.00 N ATOM 440 CA VAL A 32 1.633 -0.905 -2.160 1.00 0.00 C ATOM 441 C VAL A 32 0.529 -1.871 -1.724 1.00 0.00 C ATOM 442 O VAL A 32 0.388 -2.163 -0.538 1.00 0.00 O ATOM 443 CB VAL A 32 1.092 0.352 -2.844 1.00 0.00 C ATOM 444 CG1 VAL A 32 -0.095 0.929 -2.071 1.00 0.00 C ATOM 445 CG2 VAL A 32 2.194 1.399 -3.018 1.00 0.00 C ATOM 0 H VAL A 32 2.825 -1.068 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 32 2.148 -0.572 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 32 0.740 0.068 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.460 1.822 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.892 0.187 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.221 1.190 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.783 2.282 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.590 1.676 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.995 0.986 -3.630 1.00 0.00 H new ATOM 455 N LEU A 33 -0.225 -2.339 -2.708 1.00 0.00 N ATOM 456 CA LEU A 33 -1.312 -3.266 -2.441 1.00 0.00 C ATOM 457 C LEU A 33 -0.846 -4.315 -1.430 1.00 0.00 C ATOM 458 O LEU A 33 -1.336 -4.358 -0.303 1.00 0.00 O ATOM 459 CB LEU A 33 -1.841 -3.862 -3.747 1.00 0.00 C ATOM 460 CG LEU A 33 -2.859 -3.011 -4.509 1.00 0.00 C ATOM 461 CD1 LEU A 33 -2.944 -3.440 -5.975 1.00 0.00 C ATOM 462 CD2 LEU A 33 -4.226 -3.045 -3.822 1.00 0.00 C ATOM 0 H LEU A 33 -0.105 -2.094 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.156 -2.743 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.993 -4.055 -4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.298 -4.826 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.517 -1.976 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.675 -2.819 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.968 -3.322 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.250 -4.485 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.931 -2.432 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.588 -4.072 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.134 -2.655 -2.808 1.00 0.00 H new ATOM 474 N GLN A 34 0.096 -5.137 -1.870 1.00 0.00 N ATOM 475 CA GLN A 34 0.635 -6.183 -1.018 1.00 0.00 C ATOM 476 C GLN A 34 0.787 -5.674 0.416 1.00 0.00 C ATOM 477 O GLN A 34 0.056 -6.096 1.310 1.00 0.00 O ATOM 478 CB GLN A 34 1.968 -6.701 -1.561 1.00 0.00 C ATOM 479 CG GLN A 34 2.147 -8.188 -1.250 1.00 0.00 C ATOM 480 CD GLN A 34 3.513 -8.455 -0.615 1.00 0.00 C ATOM 481 OE1 GLN A 34 3.758 -8.157 0.542 1.00 0.00 O ATOM 482 NE2 GLN A 34 4.387 -9.032 -1.436 1.00 0.00 N ATOM 0 H GLN A 34 0.500 -5.099 -2.806 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.066 -7.018 -1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.011 -6.544 -2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.789 -6.133 -1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.357 -8.520 -0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.048 -8.769 -2.167 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.116 -9.255 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.327 -9.251 -1.107 1.00 0.00 H new ATOM 491 N ASP A 35 1.743 -4.773 0.592 1.00 0.00 N ATOM 492 CA ASP A 35 2.002 -4.201 1.902 1.00 0.00 C ATOM 493 C ASP A 35 0.673 -3.814 2.556 1.00 0.00 C ATOM 494 O ASP A 35 0.476 -4.038 3.749 1.00 0.00 O ATOM 495 CB ASP A 35 2.860 -2.940 1.793 1.00 0.00 C ATOM 496 CG ASP A 35 3.764 -2.666 2.998 1.00 0.00 C ATOM 497 OD1 ASP A 35 4.880 -3.229 3.009 1.00 0.00 O ATOM 498 OD2 ASP A 35 3.318 -1.901 3.879 1.00 0.00 O ATOM 0 H ASP A 35 2.348 -4.425 -0.152 1.00 0.00 H new ATOM 0 HA ASP A 35 2.531 -4.946 2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.482 -3.018 0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.202 -2.083 1.649 1.00 0.00 H new ATOM 503 N LEU A 36 -0.203 -3.239 1.745 1.00 0.00 N ATOM 504 CA LEU A 36 -1.507 -2.818 2.230 1.00 0.00 C ATOM 505 C LEU A 36 -2.248 -4.028 2.802 1.00 0.00 C ATOM 506 O LEU A 36 -2.880 -3.934 3.852 1.00 0.00 O ATOM 507 CB LEU A 36 -2.278 -2.089 1.128 1.00 0.00 C ATOM 508 CG LEU A 36 -2.669 -0.641 1.429 1.00 0.00 C ATOM 509 CD1 LEU A 36 -1.468 0.294 1.279 1.00 0.00 C ATOM 510 CD2 LEU A 36 -3.850 -0.201 0.562 1.00 0.00 C ATOM 0 H LEU A 36 -0.036 -3.055 0.756 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.398 -2.098 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.674 -2.100 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.186 -2.653 0.913 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.993 -0.584 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.774 1.317 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.683 -0.007 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.090 0.240 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.108 0.832 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.577 -0.278 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.708 -0.843 0.762 1.00 0.00 H new ATOM 522 N GLN A 37 -2.145 -5.138 2.085 1.00 0.00 N ATOM 523 CA GLN A 37 -2.798 -6.365 2.508 1.00 0.00 C ATOM 524 C GLN A 37 -2.158 -6.891 3.794 1.00 0.00 C ATOM 525 O GLN A 37 -2.667 -7.828 4.408 1.00 0.00 O ATOM 526 CB GLN A 37 -2.752 -7.421 1.401 1.00 0.00 C ATOM 527 CG GLN A 37 -3.715 -7.068 0.267 1.00 0.00 C ATOM 528 CD GLN A 37 -4.961 -7.956 0.309 1.00 0.00 C ATOM 529 OE1 GLN A 37 -4.889 -9.162 0.479 1.00 0.00 O ATOM 530 NE2 GLN A 37 -6.103 -7.294 0.145 1.00 0.00 N ATOM 0 H GLN A 37 -1.619 -5.213 1.214 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.846 -6.144 2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.737 -7.499 1.010 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.011 -8.396 1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.007 -6.021 0.346 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.212 -7.187 -0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.091 -6.283 0.007 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.990 -7.797 0.157 1.00 0.00 H new ATOM 539 N LEU A 38 -1.051 -6.265 4.165 1.00 0.00 N ATOM 540 CA LEU A 38 -0.335 -6.658 5.367 1.00 0.00 C ATOM 541 C LEU A 38 -0.587 -5.623 6.466 1.00 0.00 C ATOM 542 O LEU A 38 -1.105 -5.956 7.531 1.00 0.00 O ATOM 543 CB LEU A 38 1.147 -6.881 5.060 1.00 0.00 C ATOM 544 CG LEU A 38 1.470 -7.405 3.659 1.00 0.00 C ATOM 545 CD1 LEU A 38 2.890 -7.972 3.600 1.00 0.00 C ATOM 546 CD2 LEU A 38 0.426 -8.425 3.201 1.00 0.00 C ATOM 0 H LEU A 38 -0.632 -5.488 3.654 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.707 -7.614 5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.673 -5.937 5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.547 -7.584 5.791 1.00 0.00 H new ATOM 0 HG LEU A 38 1.428 -6.567 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.094 -8.338 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.605 -7.189 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.984 -8.793 4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.679 -8.781 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.411 -9.266 3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.557 -7.955 3.180 1.00 0.00 H new ATOM 558 N THR A 39 -0.208 -4.389 6.170 1.00 0.00 N ATOM 559 CA THR A 39 -0.386 -3.303 7.119 1.00 0.00 C ATOM 560 C THR A 39 -1.869 -2.957 7.263 1.00 0.00 C ATOM 561 O THR A 39 -2.344 -2.687 8.365 1.00 0.00 O ATOM 562 CB THR A 39 0.471 -2.124 6.655 1.00 0.00 C ATOM 563 OG1 THR A 39 0.129 -1.965 5.281 1.00 0.00 O ATOM 564 CG2 THR A 39 1.964 -2.458 6.631 1.00 0.00 C ATOM 0 H THR A 39 0.222 -4.117 5.286 1.00 0.00 H new ATOM 0 HA THR A 39 -0.054 -3.592 8.116 1.00 0.00 H new ATOM 0 HB THR A 39 0.301 -1.271 7.312 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.050 -1.011 5.072 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.526 -1.587 6.295 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.291 -2.736 7.633 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.140 -3.289 5.948 1.00 0.00 H new ATOM 572 N ARG A 40 -2.560 -2.977 6.132 1.00 0.00 N ATOM 573 CA ARG A 40 -3.980 -2.669 6.118 1.00 0.00 C ATOM 574 C ARG A 40 -4.223 -1.259 6.659 1.00 0.00 C ATOM 575 O ARG A 40 -5.177 -1.031 7.401 1.00 0.00 O ATOM 576 CB ARG A 40 -4.770 -3.674 6.958 1.00 0.00 C ATOM 577 CG ARG A 40 -4.687 -5.078 6.356 1.00 0.00 C ATOM 578 CD ARG A 40 -3.995 -6.046 7.317 1.00 0.00 C ATOM 579 NE ARG A 40 -4.937 -7.110 7.730 1.00 0.00 N ATOM 580 CZ ARG A 40 -5.963 -6.920 8.571 1.00 0.00 C ATOM 581 NH1 ARG A 40 -6.185 -5.707 9.094 1.00 0.00 N ATOM 582 NH2 ARG A 40 -6.767 -7.944 8.889 1.00 0.00 N ATOM 0 H ARG A 40 -2.163 -3.202 5.220 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.322 -2.729 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.381 -3.688 7.976 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.813 -3.362 7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.690 -5.440 6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.140 -5.042 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.123 -6.488 6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.636 -5.507 8.193 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.797 -8.046 7.351 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.573 -4.928 8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.966 -5.563 9.734 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.598 -8.868 8.491 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.548 -7.800 9.529 1.00 0.00 H new ATOM 596 N SER A 41 -3.343 -0.349 6.268 1.00 0.00 N ATOM 597 CA SER A 41 -3.449 1.032 6.705 1.00 0.00 C ATOM 598 C SER A 41 -2.409 1.891 5.983 1.00 0.00 C ATOM 599 O SER A 41 -1.228 1.861 6.327 1.00 0.00 O ATOM 600 CB SER A 41 -3.273 1.146 8.220 1.00 0.00 C ATOM 601 OG SER A 41 -4.493 0.912 8.918 1.00 0.00 O ATOM 0 H SER A 41 -2.553 -0.542 5.653 1.00 0.00 H new ATOM 0 HA SER A 41 -4.446 1.394 6.455 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.522 0.430 8.553 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.898 2.139 8.468 1.00 0.00 H new ATOM 0 HG SER A 41 -5.044 0.279 8.411 1.00 0.00 H new ATOM 607 N VAL A 42 -2.884 2.637 4.997 1.00 0.00 N ATOM 608 CA VAL A 42 -2.010 3.503 4.225 1.00 0.00 C ATOM 609 C VAL A 42 -0.981 4.144 5.157 1.00 0.00 C ATOM 610 O VAL A 42 0.162 4.373 4.763 1.00 0.00 O ATOM 611 CB VAL A 42 -2.840 4.531 3.453 1.00 0.00 C ATOM 612 CG1 VAL A 42 -4.022 3.863 2.748 1.00 0.00 C ATOM 613 CG2 VAL A 42 -3.314 5.656 4.375 1.00 0.00 C ATOM 0 H VAL A 42 -3.864 2.660 4.715 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.460 2.925 3.482 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.201 4.972 2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.595 4.616 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.652 3.115 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.662 3.382 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.902 6.373 3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.929 5.238 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.450 6.159 4.809 1.00 0.00 H new ATOM 623 N GLU A 43 -1.423 4.416 6.376 1.00 0.00 N ATOM 624 CA GLU A 43 -0.554 5.026 7.369 1.00 0.00 C ATOM 625 C GLU A 43 0.667 4.140 7.622 1.00 0.00 C ATOM 626 O GLU A 43 1.784 4.494 7.246 1.00 0.00 O ATOM 627 CB GLU A 43 -1.313 5.299 8.669 1.00 0.00 C ATOM 628 CG GLU A 43 -1.127 6.749 9.119 1.00 0.00 C ATOM 629 CD GLU A 43 -1.935 7.038 10.386 1.00 0.00 C ATOM 630 OE1 GLU A 43 -3.173 6.875 10.319 1.00 0.00 O ATOM 631 OE2 GLU A 43 -1.297 7.415 11.392 1.00 0.00 O ATOM 0 H GLU A 43 -2.372 4.225 6.699 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.209 5.984 6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.374 5.092 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.960 4.624 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.071 6.943 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.440 7.424 8.322 1.00 0.00 H new ATOM 638 N ILE A 44 0.414 3.006 8.258 1.00 0.00 N ATOM 639 CA ILE A 44 1.479 2.067 8.566 1.00 0.00 C ATOM 640 C ILE A 44 2.181 1.655 7.270 1.00 0.00 C ATOM 641 O ILE A 44 3.302 1.151 7.300 1.00 0.00 O ATOM 642 CB ILE A 44 0.935 0.886 9.372 1.00 0.00 C ATOM 643 CG1 ILE A 44 0.487 1.333 10.765 1.00 0.00 C ATOM 644 CG2 ILE A 44 1.956 -0.252 9.435 1.00 0.00 C ATOM 645 CD1 ILE A 44 -0.892 0.766 11.106 1.00 0.00 C ATOM 0 H ILE A 44 -0.513 2.716 8.569 1.00 0.00 H new ATOM 0 HA ILE A 44 2.230 2.538 9.200 1.00 0.00 H new ATOM 0 HB ILE A 44 0.054 0.499 8.859 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.213 1.003 11.508 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.458 2.422 10.809 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.544 -1.079 10.014 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.183 -0.594 8.425 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.869 0.105 9.911 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.186 1.099 12.101 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.621 1.117 10.375 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.853 -0.323 11.085 1.00 0.00 H new ATOM 657 N THR A 45 1.491 1.886 6.162 1.00 0.00 N ATOM 658 CA THR A 45 2.035 1.546 4.858 1.00 0.00 C ATOM 659 C THR A 45 3.154 2.516 4.477 1.00 0.00 C ATOM 660 O THR A 45 4.265 2.094 4.158 1.00 0.00 O ATOM 661 CB THR A 45 0.880 1.526 3.855 1.00 0.00 C ATOM 662 OG1 THR A 45 -0.135 0.769 4.508 1.00 0.00 O ATOM 663 CG2 THR A 45 1.205 0.711 2.602 1.00 0.00 C ATOM 0 H THR A 45 0.561 2.304 6.141 1.00 0.00 H new ATOM 0 HA THR A 45 2.494 0.558 4.867 1.00 0.00 H new ATOM 0 HB THR A 45 0.632 2.548 3.568 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.251 1.099 5.424 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.352 0.730 1.924 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.074 1.141 2.104 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.421 -0.319 2.884 1.00 0.00 H new ATOM 671 N THR A 46 2.824 3.798 4.523 1.00 0.00 N ATOM 672 CA THR A 46 3.788 4.832 4.187 1.00 0.00 C ATOM 673 C THR A 46 4.944 4.830 5.189 1.00 0.00 C ATOM 674 O THR A 46 6.091 5.074 4.819 1.00 0.00 O ATOM 675 CB THR A 46 3.044 6.168 4.120 1.00 0.00 C ATOM 676 OG1 THR A 46 2.717 6.451 5.477 1.00 0.00 O ATOM 677 CG2 THR A 46 1.686 6.048 3.426 1.00 0.00 C ATOM 0 H THR A 46 1.902 4.145 4.788 1.00 0.00 H new ATOM 0 HA THR A 46 4.243 4.647 3.214 1.00 0.00 H new ATOM 0 HB THR A 46 3.657 6.899 3.593 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.351 5.646 5.900 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.200 7.024 3.405 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.829 5.692 2.406 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.060 5.342 3.972 1.00 0.00 H new ATOM 685 N ASP A 47 4.601 4.551 6.438 1.00 0.00 N ATOM 686 CA ASP A 47 5.597 4.513 7.496 1.00 0.00 C ATOM 687 C ASP A 47 6.797 3.685 7.032 1.00 0.00 C ATOM 688 O ASP A 47 7.911 3.873 7.520 1.00 0.00 O ATOM 689 CB ASP A 47 5.033 3.861 8.760 1.00 0.00 C ATOM 690 CG ASP A 47 4.695 4.832 9.893 1.00 0.00 C ATOM 691 OD1 ASP A 47 4.970 6.038 9.708 1.00 0.00 O ATOM 692 OD2 ASP A 47 4.171 4.347 10.918 1.00 0.00 O ATOM 0 H ASP A 47 3.648 4.349 6.741 1.00 0.00 H new ATOM 0 HA ASP A 47 5.891 5.539 7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.132 3.308 8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.756 3.133 9.129 1.00 0.00 H new ATOM 697 N ASN A 48 6.529 2.787 6.095 1.00 0.00 N ATOM 698 CA ASN A 48 7.573 1.930 5.560 1.00 0.00 C ATOM 699 C ASN A 48 8.391 2.711 4.530 1.00 0.00 C ATOM 700 O ASN A 48 9.613 2.583 4.475 1.00 0.00 O ATOM 701 CB ASN A 48 6.977 0.706 4.861 1.00 0.00 C ATOM 702 CG ASN A 48 5.854 0.090 5.698 1.00 0.00 C ATOM 703 OD1 ASN A 48 5.977 -0.115 6.894 1.00 0.00 O ATOM 704 ND2 ASN A 48 4.756 -0.194 5.003 1.00 0.00 N ATOM 0 H ASN A 48 5.604 2.635 5.693 1.00 0.00 H new ATOM 0 HA ASN A 48 8.198 1.602 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.591 0.993 3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.757 -0.036 4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.950 -0.609 5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.720 0.004 4.003 1.00 0.00 H new ATOM 711 N ILE A 49 7.683 3.504 3.739 1.00 0.00 N ATOM 712 CA ILE A 49 8.328 4.307 2.713 1.00 0.00 C ATOM 713 C ILE A 49 8.951 5.546 3.358 1.00 0.00 C ATOM 714 O ILE A 49 10.126 5.839 3.143 1.00 0.00 O ATOM 715 CB ILE A 49 7.344 4.628 1.587 1.00 0.00 C ATOM 716 CG1 ILE A 49 6.724 3.350 1.019 1.00 0.00 C ATOM 717 CG2 ILE A 49 8.012 5.473 0.500 1.00 0.00 C ATOM 718 CD1 ILE A 49 5.220 3.523 0.794 1.00 0.00 C ATOM 0 H ILE A 49 6.669 3.608 3.788 1.00 0.00 H new ATOM 0 HA ILE A 49 9.139 3.749 2.246 1.00 0.00 H new ATOM 0 HB ILE A 49 6.531 5.222 2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.209 3.094 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.900 2.521 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.291 5.687 -0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.365 6.409 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.856 4.925 0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.804 2.600 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.735 3.755 1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.049 4.337 0.090 1.00 0.00 H new ATOM 730 N LEU A 50 8.135 6.242 4.137 1.00 0.00 N ATOM 731 CA LEU A 50 8.591 7.444 4.815 1.00 0.00 C ATOM 732 C LEU A 50 9.885 7.137 5.572 1.00 0.00 C ATOM 733 O LEU A 50 10.680 8.037 5.839 1.00 0.00 O ATOM 734 CB LEU A 50 7.481 8.014 5.699 1.00 0.00 C ATOM 735 CG LEU A 50 6.431 8.871 4.989 1.00 0.00 C ATOM 736 CD1 LEU A 50 5.024 8.313 5.217 1.00 0.00 C ATOM 737 CD2 LEU A 50 6.542 10.337 5.411 1.00 0.00 C ATOM 0 H LEU A 50 7.161 5.996 4.314 1.00 0.00 H new ATOM 0 HA LEU A 50 8.823 8.226 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.972 7.184 6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.941 8.615 6.484 1.00 0.00 H new ATOM 0 HG LEU A 50 6.624 8.830 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.296 8.940 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.968 7.297 4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.805 8.304 6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.784 10.924 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.389 10.418 6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.532 10.715 5.155 1.00 0.00 H new ATOM 749 N GLU A 51 10.055 5.864 5.897 1.00 0.00 N ATOM 750 CA GLU A 51 11.238 5.427 6.618 1.00 0.00 C ATOM 751 C GLU A 51 12.082 4.500 5.742 1.00 0.00 C ATOM 752 O GLU A 51 12.882 3.716 6.251 1.00 0.00 O ATOM 753 CB GLU A 51 10.858 4.743 7.933 1.00 0.00 C ATOM 754 CG GLU A 51 10.343 5.762 8.952 1.00 0.00 C ATOM 755 CD GLU A 51 11.053 5.599 10.297 1.00 0.00 C ATOM 756 OE1 GLU A 51 11.001 4.472 10.834 1.00 0.00 O ATOM 757 OE2 GLU A 51 11.634 6.606 10.758 1.00 0.00 O ATOM 0 H GLU A 51 9.393 5.121 5.674 1.00 0.00 H new ATOM 0 HA GLU A 51 11.835 6.306 6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.092 3.990 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.725 4.222 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.501 6.772 8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.269 5.636 9.086 1.00 0.00 H new ATOM 764 N GLY A 52 11.875 4.619 4.439 1.00 0.00 N ATOM 765 CA GLY A 52 12.607 3.801 3.487 1.00 0.00 C ATOM 766 C GLY A 52 12.812 2.384 4.025 1.00 0.00 C ATOM 767 O GLY A 52 13.857 2.080 4.599 1.00 0.00 O ATOM 0 H GLY A 52 11.211 5.270 4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.063 3.760 2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.574 4.258 3.278 1.00 0.00 H new ATOM 771 N ARG A 53 11.799 1.555 3.821 1.00 0.00 N ATOM 772 CA ARG A 53 11.855 0.177 4.279 1.00 0.00 C ATOM 773 C ARG A 53 11.675 -0.782 3.100 1.00 0.00 C ATOM 774 O ARG A 53 12.446 -1.727 2.941 1.00 0.00 O ATOM 775 CB ARG A 53 10.773 -0.100 5.323 1.00 0.00 C ATOM 776 CG ARG A 53 11.259 0.265 6.728 1.00 0.00 C ATOM 777 CD ARG A 53 11.246 -0.958 7.647 1.00 0.00 C ATOM 778 NE ARG A 53 11.348 -0.529 9.060 1.00 0.00 N ATOM 779 CZ ARG A 53 11.633 -1.355 10.077 1.00 0.00 C ATOM 780 NH1 ARG A 53 11.846 -2.657 9.843 1.00 0.00 N ATOM 781 NH2 ARG A 53 11.705 -0.878 11.327 1.00 0.00 N ATOM 0 H ARG A 53 10.934 1.811 3.344 1.00 0.00 H new ATOM 0 HA ARG A 53 12.832 0.018 4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.877 0.473 5.084 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.495 -1.154 5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.268 0.673 6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.623 1.045 7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.329 -1.527 7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.076 -1.619 7.398 1.00 0.00 H new ATOM 0 HE ARG A 53 11.192 0.456 9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.791 -3.020 8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.063 -3.285 10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.543 0.113 11.505 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.922 -1.506 12.101 1.00 0.00 H new ATOM 795 N ILE A 54 10.653 -0.505 2.304 1.00 0.00 N ATOM 796 CA ILE A 54 10.362 -1.331 1.145 1.00 0.00 C ATOM 797 C ILE A 54 11.200 -0.851 -0.041 1.00 0.00 C ATOM 798 O ILE A 54 10.825 0.099 -0.727 1.00 0.00 O ATOM 799 CB ILE A 54 8.857 -1.352 0.867 1.00 0.00 C ATOM 800 CG1 ILE A 54 8.088 -1.927 2.057 1.00 0.00 C ATOM 801 CG2 ILE A 54 8.551 -2.103 -0.431 1.00 0.00 C ATOM 802 CD1 ILE A 54 6.785 -1.160 2.290 1.00 0.00 C ATOM 0 H ILE A 54 10.016 0.280 2.439 1.00 0.00 H new ATOM 0 HA ILE A 54 10.642 -2.367 1.335 1.00 0.00 H new ATOM 0 HB ILE A 54 8.519 -0.324 0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.868 -2.979 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.708 -1.879 2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.475 -2.104 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.054 -1.611 -1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.906 -3.130 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.258 -1.589 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.010 -0.113 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.157 -1.231 1.402 1.00 0.00 H new ATOM 814 N GLN A 55 12.319 -1.529 -0.247 1.00 0.00 N ATOM 815 CA GLN A 55 13.214 -1.183 -1.339 1.00 0.00 C ATOM 816 C GLN A 55 13.477 -2.408 -2.217 1.00 0.00 C ATOM 817 O GLN A 55 14.088 -3.377 -1.770 1.00 0.00 O ATOM 818 CB GLN A 55 14.523 -0.596 -0.810 1.00 0.00 C ATOM 819 CG GLN A 55 14.310 0.818 -0.267 1.00 0.00 C ATOM 820 CD GLN A 55 15.604 1.632 -0.334 1.00 0.00 C ATOM 821 OE1 GLN A 55 16.574 1.364 0.356 1.00 0.00 O ATOM 822 NE2 GLN A 55 15.565 2.638 -1.203 1.00 0.00 N ATOM 0 H GLN A 55 12.627 -2.316 0.324 1.00 0.00 H new ATOM 0 HA GLN A 55 12.733 -0.419 -1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.920 -1.236 -0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.265 -0.575 -1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.531 1.319 -0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.962 0.767 0.765 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.721 2.807 -1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.379 3.240 -1.323 1.00 0.00 H new ATOM 831 N VAL A 56 13.003 -2.325 -3.452 1.00 0.00 N ATOM 832 CA VAL A 56 13.179 -3.415 -4.396 1.00 0.00 C ATOM 833 C VAL A 56 13.898 -2.892 -5.642 1.00 0.00 C ATOM 834 O VAL A 56 13.258 -2.426 -6.583 1.00 0.00 O ATOM 835 CB VAL A 56 11.827 -4.058 -4.712 1.00 0.00 C ATOM 836 CG1 VAL A 56 11.964 -5.106 -5.819 1.00 0.00 C ATOM 837 CG2 VAL A 56 11.202 -4.665 -3.455 1.00 0.00 C ATOM 0 H VAL A 56 12.497 -1.519 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 56 13.802 -4.198 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 56 11.159 -3.276 -5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.989 -5.548 -6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.346 -4.632 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.655 -5.885 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.242 -5.115 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.866 -5.429 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.052 -3.884 -2.710 1.00 0.00 H new ATOM 847 N PRO A 57 15.254 -2.990 -5.606 1.00 0.00 N ATOM 848 CA PRO A 57 16.067 -2.533 -6.720 1.00 0.00 C ATOM 849 C PRO A 57 15.993 -3.514 -7.892 1.00 0.00 C ATOM 850 O PRO A 57 16.853 -4.382 -8.035 1.00 0.00 O ATOM 851 CB PRO A 57 17.470 -2.392 -6.152 1.00 0.00 C ATOM 852 CG PRO A 57 17.486 -3.214 -4.873 1.00 0.00 C ATOM 853 CD PRO A 57 16.046 -3.536 -4.508 1.00 0.00 C ATOM 0 HA PRO A 57 15.721 -1.585 -7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 57 18.216 -2.755 -6.859 1.00 0.00 H new ATOM 0 HB3 PRO A 57 17.706 -1.348 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.058 -4.131 -5.016 1.00 0.00 H new ATOM 0 HG3 PRO A 57 17.969 -2.659 -4.069 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.894 -4.611 -4.406 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.768 -3.083 -3.556 1.00 0.00 H new ATOM 861 N PHE A 58 14.957 -3.344 -8.700 1.00 0.00 N ATOM 862 CA PHE A 58 14.759 -4.204 -9.854 1.00 0.00 C ATOM 863 C PHE A 58 15.139 -3.481 -11.148 1.00 0.00 C ATOM 864 O PHE A 58 16.311 -3.443 -11.521 1.00 0.00 O ATOM 865 CB PHE A 58 13.271 -4.557 -9.899 1.00 0.00 C ATOM 866 CG PHE A 58 12.805 -5.117 -11.245 1.00 0.00 C ATOM 867 CD1 PHE A 58 13.029 -6.422 -11.552 1.00 0.00 C ATOM 868 CD2 PHE A 58 12.167 -4.309 -12.133 1.00 0.00 C ATOM 869 CE1 PHE A 58 12.596 -6.942 -12.801 1.00 0.00 C ATOM 870 CE2 PHE A 58 11.734 -4.828 -13.382 1.00 0.00 C ATOM 871 CZ PHE A 58 11.958 -6.134 -13.690 1.00 0.00 C ATOM 0 H PHE A 58 14.246 -2.623 -8.578 1.00 0.00 H new ATOM 0 HA PHE A 58 15.385 -5.092 -9.768 1.00 0.00 H new ATOM 0 HB2 PHE A 58 13.058 -5.288 -9.119 1.00 0.00 H new ATOM 0 HB3 PHE A 58 12.689 -3.665 -9.667 1.00 0.00 H new ATOM 0 HD1 PHE A 58 13.536 -7.063 -10.846 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.989 -3.272 -11.888 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.773 -7.979 -13.045 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.227 -4.186 -14.087 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.629 -6.529 -14.640 1.00 0.00 H new TER 881 PHE A 58