USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 636 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 48 THR OG1 : rot -110:sc= 0 USER MOD Set 1.2: B 70 GLN : amide:sc= -0.87 X(o=-0.87,f=-0.72) USER MOD Set 2.1: A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.099 X(o=-0.099,f=-0.43!) USER MOD Single : A 31 THR OG1 : rot 67:sc= 1.1 USER MOD Single : A 34 LYS NZ :NH3+ -132:sc= -1.13 (180deg=-3.49!) USER MOD Single : A 37 GLN : amide:sc= -2.02! K(o=-2!,f=-0.99) USER MOD Single : A 38 ASN : amide:sc= -0.0233 K(o=-0.023,f=-9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.081) USER MOD Single : A 44 SER OG : rot 140:sc= 1.39 USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= 0.775 (180deg=0.0124) USER MOD Single : A 55 LYS NZ :NH3+ -134:sc= -1.05 (180deg=-3.76!) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc=-0.00313 (180deg=-0.107) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.687 K(o=-0.69,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 70 SER OG : rot -22:sc= 0.325 USER MOD Single : A 72 THR OG1 : rot -39:sc= 0.203 USER MOD Single : A 78 SER OG : rot 66:sc= 0.803 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 68 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 71 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 -7.172 4.245 -13.934 1.00 13.73 N ATOM 2 CA GLY A 12 -7.521 2.830 -14.200 1.00 13.35 C ATOM 3 C GLY A 12 -7.333 1.965 -12.973 1.00 12.90 C ATOM 4 O GLY A 12 -8.022 2.153 -11.967 1.00 12.88 O ATOM 0 HA2 GLY A 12 -8.557 2.768 -14.534 1.00 13.35 H new ATOM 0 HA3 GLY A 12 -6.901 2.449 -15.012 1.00 13.35 H new ATOM 10 N ALA A 13 -6.386 1.031 -13.061 1.00 12.72 N ATOM 11 CA ALA A 13 -6.069 0.108 -11.972 1.00 12.50 C ATOM 12 C ALA A 13 -7.261 -0.769 -11.603 1.00 12.15 C ATOM 13 O ALA A 13 -8.087 -0.400 -10.766 1.00 12.34 O ATOM 14 CB ALA A 13 -5.556 0.862 -10.749 1.00 12.79 C ATOM 0 H ALA A 13 -5.814 0.893 -13.894 1.00 12.72 H new ATOM 0 HA ALA A 13 -5.277 -0.550 -12.329 1.00 12.50 H new ATOM 0 HB1 ALA A 13 -5.328 0.153 -9.954 1.00 12.79 H new ATOM 0 HB2 ALA A 13 -4.654 1.413 -11.014 1.00 12.79 H new ATOM 0 HB3 ALA A 13 -6.320 1.559 -10.405 1.00 12.79 H new ATOM 20 N MET A 14 -7.357 -1.923 -12.244 1.00 11.84 N ATOM 21 CA MET A 14 -8.405 -2.884 -11.935 1.00 11.71 C ATOM 22 C MET A 14 -8.090 -3.599 -10.625 1.00 11.28 C ATOM 23 O MET A 14 -7.509 -4.685 -10.612 1.00 11.28 O ATOM 24 CB MET A 14 -8.555 -3.900 -13.072 1.00 11.98 C ATOM 25 CG MET A 14 -9.662 -4.917 -12.850 1.00 12.33 C ATOM 26 SD MET A 14 -9.769 -6.116 -14.192 1.00 12.95 S ATOM 27 CE MET A 14 -11.072 -7.187 -13.590 1.00 13.52 C ATOM 0 H MET A 14 -6.720 -2.218 -12.984 1.00 11.84 H new ATOM 0 HA MET A 14 -9.348 -2.348 -11.826 1.00 11.71 H new ATOM 0 HB2 MET A 14 -8.749 -3.364 -14.001 1.00 11.98 H new ATOM 0 HB3 MET A 14 -7.610 -4.429 -13.200 1.00 11.98 H new ATOM 0 HG2 MET A 14 -9.488 -5.441 -11.910 1.00 12.33 H new ATOM 0 HG3 MET A 14 -10.615 -4.398 -12.753 1.00 12.33 H new ATOM 0 HE1 MET A 14 -11.254 -7.981 -14.314 1.00 13.52 H new ATOM 0 HE2 MET A 14 -10.772 -7.625 -12.638 1.00 13.52 H new ATOM 0 HE3 MET A 14 -11.984 -6.607 -13.451 1.00 13.52 H new ATOM 37 N ALA A 15 -8.450 -2.967 -9.520 1.00 11.15 N ATOM 38 CA ALA A 15 -8.172 -3.524 -8.209 1.00 10.97 C ATOM 39 C ALA A 15 -9.298 -4.443 -7.763 1.00 10.34 C ATOM 40 O ALA A 15 -10.268 -4.007 -7.139 1.00 10.56 O ATOM 41 CB ALA A 15 -7.948 -2.415 -7.191 1.00 11.53 C ATOM 0 H ALA A 15 -8.934 -2.070 -9.506 1.00 11.15 H new ATOM 0 HA ALA A 15 -7.259 -4.115 -8.278 1.00 10.97 H new ATOM 0 HB1 ALA A 15 -7.741 -2.854 -6.215 1.00 11.53 H new ATOM 0 HB2 ALA A 15 -7.101 -1.803 -7.501 1.00 11.53 H new ATOM 0 HB3 ALA A 15 -8.841 -1.793 -7.128 1.00 11.53 H new ATOM 47 N THR A 16 -9.181 -5.711 -8.117 1.00 9.75 N ATOM 48 CA THR A 16 -10.155 -6.708 -7.717 1.00 9.29 C ATOM 49 C THR A 16 -9.531 -7.673 -6.712 1.00 8.86 C ATOM 50 O THR A 16 -8.601 -8.408 -7.046 1.00 8.68 O ATOM 51 CB THR A 16 -10.678 -7.498 -8.935 1.00 9.17 C ATOM 52 OG1 THR A 16 -11.211 -6.593 -9.913 1.00 9.57 O ATOM 53 CG2 THR A 16 -11.755 -8.491 -8.519 1.00 9.36 C ATOM 0 H THR A 16 -8.415 -6.075 -8.684 1.00 9.75 H new ATOM 0 HA THR A 16 -10.996 -6.190 -7.256 1.00 9.29 H new ATOM 0 HB THR A 16 -9.843 -8.052 -9.365 1.00 9.17 H new ATOM 0 HG1 THR A 16 -11.540 -7.101 -10.684 1.00 9.57 H new ATOM 0 HG21 THR A 16 -12.107 -9.035 -9.396 1.00 9.36 H new ATOM 0 HG22 THR A 16 -11.341 -9.195 -7.797 1.00 9.36 H new ATOM 0 HG23 THR A 16 -12.589 -7.955 -8.066 1.00 9.36 H new ATOM 61 N PRO A 17 -10.016 -7.658 -5.463 1.00 8.97 N ATOM 62 CA PRO A 17 -9.521 -8.554 -4.416 1.00 8.90 C ATOM 63 C PRO A 17 -9.760 -10.015 -4.776 1.00 8.48 C ATOM 64 O PRO A 17 -10.900 -10.442 -4.956 1.00 8.81 O ATOM 65 CB PRO A 17 -10.337 -8.163 -3.179 1.00 9.47 C ATOM 66 CG PRO A 17 -11.535 -7.455 -3.712 1.00 9.80 C ATOM 67 CD PRO A 17 -11.088 -6.776 -4.973 1.00 9.50 C ATOM 0 HA PRO A 17 -8.446 -8.458 -4.265 1.00 8.90 H new ATOM 0 HB2 PRO A 17 -10.623 -9.042 -2.601 1.00 9.47 H new ATOM 0 HB3 PRO A 17 -9.761 -7.519 -2.515 1.00 9.47 H new ATOM 0 HG2 PRO A 17 -12.345 -8.156 -3.913 1.00 9.80 H new ATOM 0 HG3 PRO A 17 -11.912 -6.730 -2.991 1.00 9.80 H new ATOM 0 HD2 PRO A 17 -11.901 -6.689 -5.694 1.00 9.50 H new ATOM 0 HD3 PRO A 17 -10.724 -5.767 -4.781 1.00 9.50 H new ATOM 75 N GLY A 18 -8.682 -10.765 -4.908 1.00 8.03 N ATOM 76 CA GLY A 18 -8.793 -12.155 -5.282 1.00 7.87 C ATOM 77 C GLY A 18 -7.771 -13.011 -4.577 1.00 7.31 C ATOM 78 O GLY A 18 -7.762 -13.095 -3.350 1.00 7.31 O ATOM 0 H GLY A 18 -7.728 -10.435 -4.762 1.00 8.03 H new ATOM 0 HA2 GLY A 18 -9.794 -12.516 -5.045 1.00 7.87 H new ATOM 0 HA3 GLY A 18 -8.666 -12.252 -6.360 1.00 7.87 H new ATOM 82 N SER A 19 -6.900 -13.637 -5.346 1.00 7.17 N ATOM 83 CA SER A 19 -5.874 -14.491 -4.785 1.00 6.99 C ATOM 84 C SER A 19 -4.569 -13.716 -4.636 1.00 6.42 C ATOM 85 O SER A 19 -4.255 -13.227 -3.548 1.00 6.62 O ATOM 86 CB SER A 19 -5.676 -15.719 -5.674 1.00 7.61 C ATOM 87 OG SER A 19 -6.922 -16.335 -5.963 1.00 8.33 O ATOM 0 H SER A 19 -6.884 -13.569 -6.364 1.00 7.17 H new ATOM 0 HA SER A 19 -6.188 -14.826 -3.796 1.00 6.99 H new ATOM 0 HB2 SER A 19 -5.185 -15.427 -6.602 1.00 7.61 H new ATOM 0 HB3 SER A 19 -5.019 -16.432 -5.177 1.00 7.61 H new ATOM 0 HG SER A 19 -6.775 -17.118 -6.534 1.00 8.33 H new ATOM 93 N GLU A 20 -3.840 -13.587 -5.745 1.00 6.06 N ATOM 94 CA GLU A 20 -2.568 -12.870 -5.777 1.00 5.83 C ATOM 95 C GLU A 20 -1.670 -13.286 -4.618 1.00 5.25 C ATOM 96 O GLU A 20 -1.343 -12.484 -3.741 1.00 5.55 O ATOM 97 CB GLU A 20 -2.801 -11.360 -5.776 1.00 6.34 C ATOM 98 CG GLU A 20 -3.684 -10.896 -6.920 1.00 7.04 C ATOM 99 CD GLU A 20 -3.761 -9.393 -7.025 1.00 7.87 C ATOM 100 OE1 GLU A 20 -2.873 -8.786 -7.662 1.00 8.22 O1- ATOM 101 OE2 GLU A 20 -4.705 -8.806 -6.461 1.00 8.40 O ATOM 0 H GLU A 20 -4.116 -13.977 -6.646 1.00 6.06 H new ATOM 0 HA GLU A 20 -2.055 -13.135 -6.702 1.00 5.83 H new ATOM 0 HB2 GLU A 20 -3.258 -11.069 -4.830 1.00 6.34 H new ATOM 0 HB3 GLU A 20 -1.840 -10.849 -5.836 1.00 6.34 H new ATOM 0 HG2 GLU A 20 -3.301 -11.302 -7.856 1.00 7.04 H new ATOM 0 HG3 GLU A 20 -4.688 -11.298 -6.785 1.00 7.04 H new ATOM 108 N ASN A 21 -1.300 -14.557 -4.610 1.00 4.81 N ATOM 109 CA ASN A 21 -0.459 -15.103 -3.558 1.00 4.60 C ATOM 110 C ASN A 21 0.941 -15.354 -4.101 1.00 3.95 C ATOM 111 O ASN A 21 1.938 -15.107 -3.422 1.00 4.31 O ATOM 112 CB ASN A 21 -1.066 -16.403 -3.017 1.00 5.26 C ATOM 113 CG ASN A 21 -0.489 -16.823 -1.675 1.00 5.78 C ATOM 114 OD1 ASN A 21 0.673 -16.563 -1.367 1.00 5.93 O ATOM 115 ND2 ASN A 21 -1.304 -17.475 -0.862 1.00 6.46 N ATOM 0 H ASN A 21 -1.571 -15.232 -5.325 1.00 4.81 H new ATOM 0 HA ASN A 21 -0.397 -14.386 -2.739 1.00 4.60 H new ATOM 0 HB2 ASN A 21 -2.144 -16.279 -2.918 1.00 5.26 H new ATOM 0 HB3 ASN A 21 -0.902 -17.201 -3.741 1.00 5.26 H new ATOM 0 HD21 ASN A 21 -0.975 -17.779 0.054 1.00 6.46 H new ATOM 0 HD22 ASN A 21 -2.262 -17.673 -1.151 1.00 6.46 H new ATOM 122 N VAL A 22 1.012 -15.837 -5.337 1.00 3.50 N ATOM 123 CA VAL A 22 2.294 -16.022 -6.000 1.00 3.36 C ATOM 124 C VAL A 22 2.815 -14.678 -6.494 1.00 2.73 C ATOM 125 O VAL A 22 4.023 -14.473 -6.633 1.00 3.02 O ATOM 126 CB VAL A 22 2.213 -17.032 -7.171 1.00 4.04 C ATOM 127 CG1 VAL A 22 1.894 -18.424 -6.650 1.00 4.73 C ATOM 128 CG2 VAL A 22 1.184 -16.601 -8.207 1.00 4.50 C ATOM 0 H VAL A 22 0.202 -16.105 -5.895 1.00 3.50 H new ATOM 0 HA VAL A 22 2.986 -16.440 -5.269 1.00 3.36 H new ATOM 0 HB VAL A 22 3.187 -17.055 -7.660 1.00 4.04 H new ATOM 0 HG11 VAL A 22 1.841 -19.122 -7.486 1.00 4.73 H new ATOM 0 HG12 VAL A 22 2.676 -18.743 -5.961 1.00 4.73 H new ATOM 0 HG13 VAL A 22 0.936 -18.407 -6.130 1.00 4.73 H new ATOM 0 HG21 VAL A 22 1.153 -17.332 -9.015 1.00 4.50 H new ATOM 0 HG22 VAL A 22 0.202 -16.535 -7.739 1.00 4.50 H new ATOM 0 HG23 VAL A 22 1.460 -15.626 -8.610 1.00 4.50 H new ATOM 138 N LEU A 23 1.887 -13.765 -6.753 1.00 2.38 N ATOM 139 CA LEU A 23 2.219 -12.381 -7.041 1.00 1.99 C ATOM 140 C LEU A 23 1.446 -11.471 -6.088 1.00 1.47 C ATOM 141 O LEU A 23 0.390 -10.941 -6.438 1.00 1.65 O ATOM 142 CB LEU A 23 1.889 -12.032 -8.495 1.00 2.48 C ATOM 143 CG LEU A 23 2.660 -12.821 -9.555 1.00 3.11 C ATOM 144 CD1 LEU A 23 2.149 -12.480 -10.943 1.00 3.76 C ATOM 145 CD2 LEU A 23 4.152 -12.536 -9.455 1.00 3.68 C ATOM 0 H LEU A 23 0.887 -13.965 -6.769 1.00 2.38 H new ATOM 0 HA LEU A 23 3.290 -12.235 -6.897 1.00 1.99 H new ATOM 0 HB2 LEU A 23 0.822 -12.190 -8.655 1.00 2.48 H new ATOM 0 HB3 LEU A 23 2.081 -10.970 -8.647 1.00 2.48 H new ATOM 0 HG LEU A 23 2.500 -13.884 -9.376 1.00 3.11 H new ATOM 0 HD11 LEU A 23 2.707 -13.049 -11.686 1.00 3.76 H new ATOM 0 HD12 LEU A 23 1.091 -12.732 -11.013 1.00 3.76 H new ATOM 0 HD13 LEU A 23 2.282 -11.414 -11.128 1.00 3.76 H new ATOM 0 HD21 LEU A 23 4.683 -13.106 -10.217 1.00 3.68 H new ATOM 0 HD22 LEU A 23 4.330 -11.472 -9.608 1.00 3.68 H new ATOM 0 HD23 LEU A 23 4.512 -12.826 -8.468 1.00 3.68 H new ATOM 157 N PRO A 24 1.938 -11.318 -4.851 1.00 1.41 N ATOM 158 CA PRO A 24 1.268 -10.538 -3.825 1.00 1.42 C ATOM 159 C PRO A 24 1.675 -9.068 -3.852 1.00 1.01 C ATOM 160 O PRO A 24 2.803 -8.716 -3.500 1.00 1.47 O ATOM 161 CB PRO A 24 1.729 -11.209 -2.531 1.00 2.16 C ATOM 162 CG PRO A 24 3.048 -11.850 -2.847 1.00 2.42 C ATOM 163 CD PRO A 24 3.194 -11.895 -4.352 1.00 2.01 C ATOM 0 HA PRO A 24 0.186 -10.525 -3.954 1.00 1.42 H new ATOM 0 HB2 PRO A 24 1.832 -10.479 -1.728 1.00 2.16 H new ATOM 0 HB3 PRO A 24 1.004 -11.951 -2.196 1.00 2.16 H new ATOM 0 HG2 PRO A 24 3.865 -11.282 -2.401 1.00 2.42 H new ATOM 0 HG3 PRO A 24 3.093 -12.856 -2.429 1.00 2.42 H new ATOM 0 HD2 PRO A 24 4.057 -11.320 -4.686 1.00 2.01 H new ATOM 0 HD3 PRO A 24 3.333 -12.916 -4.709 1.00 2.01 H new ATOM 171 N ARG A 25 0.750 -8.217 -4.269 1.00 0.54 N ATOM 172 CA ARG A 25 1.023 -6.791 -4.388 1.00 0.12 C ATOM 173 C ARG A 25 1.116 -6.122 -3.024 1.00 0.03 C ATOM 174 O ARG A 25 2.137 -5.524 -2.694 1.00 0.07 O ATOM 175 CB ARG A 25 -0.058 -6.099 -5.216 1.00 0.57 C ATOM 176 CG ARG A 25 -0.026 -6.445 -6.695 1.00 1.18 C ATOM 177 CD ARG A 25 -1.191 -5.801 -7.426 1.00 1.47 C ATOM 178 NE ARG A 25 -2.471 -6.313 -6.942 1.00 2.21 N ATOM 179 CZ ARG A 25 -3.368 -5.593 -6.271 1.00 2.75 C ATOM 180 NH1 ARG A 25 -3.162 -4.303 -6.037 1.00 2.84 N1+ ATOM 181 NH2 ARG A 25 -4.477 -6.169 -5.829 1.00 3.57 N ATOM 0 H ARG A 25 -0.198 -8.488 -4.531 1.00 0.54 H new ATOM 0 HA ARG A 25 1.985 -6.691 -4.891 1.00 0.12 H new ATOM 0 HB2 ARG A 25 -1.035 -6.366 -4.813 1.00 0.57 H new ATOM 0 HB3 ARG A 25 0.049 -5.020 -5.104 1.00 0.57 H new ATOM 0 HG2 ARG A 25 0.914 -6.108 -7.132 1.00 1.18 H new ATOM 0 HG3 ARG A 25 -0.066 -7.527 -6.821 1.00 1.18 H new ATOM 0 HD2 ARG A 25 -1.155 -4.720 -7.291 1.00 1.47 H new ATOM 0 HD3 ARG A 25 -1.102 -5.992 -8.496 1.00 1.47 H new ATOM 0 HE ARG A 25 -2.693 -7.290 -7.131 1.00 2.21 H new ATOM 0 HH11 ARG A 25 -2.310 -3.854 -6.372 1.00 2.84 H new ATOM 0 HH12 ARG A 25 -3.856 -3.761 -5.522 1.00 2.84 H new ATOM 0 HH21 ARG A 25 -4.641 -7.161 -6.003 1.00 3.57 H new ATOM 0 HH22 ARG A 25 -5.166 -5.621 -5.315 1.00 3.57 H new ATOM 195 N GLU A 26 0.063 -6.248 -2.223 1.00 0.00 N ATOM 196 CA GLU A 26 -0.044 -5.475 -0.958 1.00 0.00 C ATOM 197 C GLU A 26 1.117 -5.773 -0.002 1.00 0.00 C ATOM 198 O GLU A 26 1.728 -4.840 0.519 1.00 0.00 O ATOM 199 CB GLU A 26 -1.421 -5.608 -0.266 1.00 0.04 C ATOM 200 CG GLU A 26 -1.989 -7.015 -0.154 1.00 1.19 C ATOM 201 CD GLU A 26 -2.643 -7.496 -1.431 1.00 1.92 C ATOM 202 OE1 GLU A 26 -3.845 -7.223 -1.632 1.00 2.45 O ATOM 203 OE2 GLU A 26 -1.947 -8.133 -2.249 1.00 2.56 O1- ATOM 0 H GLU A 26 -0.727 -6.866 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 26 0.036 -4.427 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.340 -5.191 0.738 1.00 0.04 H new ATOM 0 HB3 GLU A 26 -2.138 -4.993 -0.810 1.00 0.04 H new ATOM 0 HG2 GLU A 26 -1.188 -7.703 0.118 1.00 1.19 H new ATOM 0 HG3 GLU A 26 -2.720 -7.042 0.654 1.00 1.19 H new ATOM 210 N PRO A 27 1.441 -7.068 0.246 1.00 0.00 N ATOM 211 CA PRO A 27 2.560 -7.410 1.139 1.00 0.00 C ATOM 212 C PRO A 27 3.888 -6.842 0.560 1.00 0.00 C ATOM 213 O PRO A 27 4.757 -6.435 1.322 1.00 0.00 O ATOM 214 CB PRO A 27 2.585 -8.944 1.145 1.00 0.01 C ATOM 215 CG PRO A 27 1.238 -9.350 0.663 1.00 0.46 C ATOM 216 CD PRO A 27 0.816 -8.285 -0.304 1.00 0.02 C ATOM 0 HA PRO A 27 2.447 -6.996 2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.370 -9.329 0.494 1.00 0.01 H new ATOM 0 HB3 PRO A 27 2.781 -9.332 2.145 1.00 0.01 H new ATOM 0 HG2 PRO A 27 1.273 -10.326 0.180 1.00 0.46 H new ATOM 0 HG3 PRO A 27 0.533 -9.429 1.491 1.00 0.46 H new ATOM 0 HD2 PRO A 27 1.166 -8.496 -1.315 1.00 0.02 H new ATOM 0 HD3 PRO A 27 -0.269 -8.193 -0.355 1.00 0.02 H new ATOM 224 N LEU A 28 4.025 -6.816 -0.773 1.00 0.00 N ATOM 225 CA LEU A 28 5.239 -6.279 -1.432 1.00 0.00 C ATOM 226 C LEU A 28 5.260 -4.743 -1.197 1.00 0.00 C ATOM 227 O LEU A 28 6.282 -4.183 -0.818 1.00 0.00 O ATOM 228 CB LEU A 28 5.254 -6.601 -2.929 1.00 0.02 C ATOM 229 CG LEU A 28 6.546 -6.225 -3.656 1.00 0.88 C ATOM 230 CD1 LEU A 28 7.740 -6.917 -3.014 1.00 1.71 C ATOM 231 CD2 LEU A 28 6.456 -6.589 -5.127 1.00 1.57 C ATOM 0 H LEU A 28 3.315 -7.158 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 28 6.128 -6.744 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.080 -7.669 -3.058 1.00 0.02 H new ATOM 0 HB3 LEU A 28 4.422 -6.083 -3.406 1.00 0.02 H new ATOM 0 HG LEU A 28 6.683 -5.147 -3.574 1.00 0.88 H new ATOM 0 HD11 LEU A 28 8.651 -6.638 -3.544 1.00 1.71 H new ATOM 0 HD12 LEU A 28 7.820 -6.612 -1.971 1.00 1.71 H new ATOM 0 HD13 LEU A 28 7.606 -7.997 -3.067 1.00 1.71 H new ATOM 0 HD21 LEU A 28 7.384 -6.314 -5.627 1.00 1.57 H new ATOM 0 HD22 LEU A 28 6.294 -7.662 -5.227 1.00 1.57 H new ATOM 0 HD23 LEU A 28 5.625 -6.053 -5.584 1.00 1.57 H new ATOM 243 N ILE A 29 4.128 -4.088 -1.422 1.00 0.01 N ATOM 244 CA ILE A 29 3.979 -2.645 -1.220 1.00 0.01 C ATOM 245 C ILE A 29 4.326 -2.363 0.273 1.00 0.00 C ATOM 246 O ILE A 29 5.054 -1.434 0.591 1.00 0.00 O ATOM 247 CB ILE A 29 2.538 -2.151 -1.500 1.00 0.06 C ATOM 248 CG1 ILE A 29 2.122 -2.475 -2.935 1.00 0.43 C ATOM 249 CG2 ILE A 29 2.432 -0.653 -1.242 1.00 0.43 C ATOM 250 CD1 ILE A 29 0.691 -2.100 -3.255 1.00 1.07 C ATOM 0 H ILE A 29 3.278 -4.544 -1.753 1.00 0.01 H new ATOM 0 HA ILE A 29 4.636 -2.119 -1.913 1.00 0.01 H new ATOM 0 HB ILE A 29 1.861 -2.671 -0.823 1.00 0.06 H new ATOM 0 HG12 ILE A 29 2.787 -1.953 -3.623 1.00 0.43 H new ATOM 0 HG13 ILE A 29 2.256 -3.542 -3.110 1.00 0.43 H new ATOM 0 HG21 ILE A 29 1.414 -0.320 -1.443 1.00 0.43 H new ATOM 0 HG22 ILE A 29 2.683 -0.444 -0.202 1.00 0.43 H new ATOM 0 HG23 ILE A 29 3.123 -0.121 -1.896 1.00 0.43 H new ATOM 0 HD11 ILE A 29 0.470 -2.360 -4.290 1.00 1.07 H new ATOM 0 HD12 ILE A 29 0.016 -2.642 -2.592 1.00 1.07 H new ATOM 0 HD13 ILE A 29 0.555 -1.028 -3.113 1.00 1.07 H new ATOM 262 N ALA A 30 3.784 -3.197 1.174 1.00 0.00 N ATOM 263 CA ALA A 30 4.039 -3.054 2.617 1.00 0.00 C ATOM 264 C ALA A 30 5.562 -3.132 2.879 1.00 0.00 C ATOM 265 O ALA A 30 6.095 -2.371 3.679 1.00 0.00 O ATOM 266 CB ALA A 30 3.304 -4.133 3.401 1.00 0.01 C ATOM 0 H ALA A 30 3.169 -3.974 0.931 1.00 0.00 H new ATOM 0 HA ALA A 30 3.667 -2.086 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.505 -4.010 4.465 1.00 0.01 H new ATOM 0 HB2 ALA A 30 2.232 -4.047 3.222 1.00 0.01 H new ATOM 0 HB3 ALA A 30 3.648 -5.116 3.078 1.00 0.01 H new ATOM 272 N THR A 31 6.248 -4.052 2.195 1.00 0.00 N ATOM 273 CA THR A 31 7.702 -4.219 2.343 1.00 0.00 C ATOM 274 C THR A 31 8.403 -2.937 1.840 1.00 0.00 C ATOM 275 O THR A 31 9.347 -2.449 2.461 1.00 0.00 O ATOM 276 CB THR A 31 8.200 -5.447 1.552 1.00 0.08 C ATOM 277 OG1 THR A 31 7.475 -6.616 1.965 1.00 0.99 O ATOM 278 CG2 THR A 31 9.691 -5.673 1.762 1.00 1.09 C ATOM 0 H THR A 31 5.820 -4.696 1.530 1.00 0.00 H new ATOM 0 HA THR A 31 7.939 -4.384 3.394 1.00 0.00 H new ATOM 0 HB THR A 31 8.029 -5.259 0.492 1.00 0.08 H new ATOM 0 HG1 THR A 31 6.536 -6.530 1.697 1.00 0.99 H new ATOM 0 HG21 THR A 31 10.011 -6.545 1.192 1.00 1.09 H new ATOM 0 HG22 THR A 31 10.243 -4.796 1.424 1.00 1.09 H new ATOM 0 HG23 THR A 31 9.888 -5.840 2.821 1.00 1.09 H new ATOM 286 N ALA A 32 7.920 -2.405 0.711 1.00 0.00 N ATOM 287 CA ALA A 32 8.473 -1.180 0.115 1.00 0.00 C ATOM 288 C ALA A 32 8.275 0.010 1.083 1.00 0.00 C ATOM 289 O ALA A 32 9.125 0.893 1.151 1.00 0.00 O ATOM 290 CB ALA A 32 7.812 -0.892 -1.224 1.00 0.00 C ATOM 0 H ALA A 32 7.142 -2.806 0.188 1.00 0.00 H new ATOM 0 HA ALA A 32 9.540 -1.323 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.234 0.018 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.988 -1.726 -1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.739 -0.762 -1.080 1.00 0.00 H new ATOM 296 N VAL A 33 7.162 0.022 1.822 1.00 0.00 N ATOM 297 CA VAL A 33 6.889 1.093 2.782 1.00 0.00 C ATOM 298 C VAL A 33 7.980 1.044 3.891 1.00 0.00 C ATOM 299 O VAL A 33 8.516 2.082 4.284 1.00 0.00 O ATOM 300 CB VAL A 33 5.486 0.966 3.419 1.00 0.01 C ATOM 301 CG1 VAL A 33 5.280 2.027 4.490 1.00 0.03 C ATOM 302 CG2 VAL A 33 4.404 1.072 2.356 1.00 0.02 C ATOM 0 H VAL A 33 6.438 -0.695 1.774 1.00 0.00 H new ATOM 0 HA VAL A 33 6.912 2.046 2.253 1.00 0.00 H new ATOM 0 HB VAL A 33 5.416 -0.015 3.889 1.00 0.01 H new ATOM 0 HG11 VAL A 33 4.286 1.918 4.924 1.00 0.03 H new ATOM 0 HG12 VAL A 33 6.032 1.907 5.270 1.00 0.03 H new ATOM 0 HG13 VAL A 33 5.375 3.017 4.044 1.00 0.03 H new ATOM 0 HG21 VAL A 33 3.424 0.980 2.824 1.00 0.02 H new ATOM 0 HG22 VAL A 33 4.478 2.038 1.856 1.00 0.02 H new ATOM 0 HG23 VAL A 33 4.533 0.274 1.625 1.00 0.02 H new ATOM 312 N LYS A 34 8.298 -0.167 4.375 1.00 0.00 N ATOM 313 CA LYS A 34 9.318 -0.363 5.432 1.00 0.00 C ATOM 314 C LYS A 34 10.671 0.110 4.921 1.00 0.00 C ATOM 315 O LYS A 34 11.433 0.757 5.645 1.00 0.00 O ATOM 316 CB LYS A 34 9.373 -1.832 5.853 1.00 0.03 C ATOM 317 CG LYS A 34 8.077 -2.322 6.479 1.00 1.12 C ATOM 318 CD LYS A 34 8.117 -3.802 6.837 1.00 1.73 C ATOM 319 CE LYS A 34 9.056 -4.100 8.002 1.00 2.35 C ATOM 320 NZ LYS A 34 10.490 -4.103 7.601 1.00 3.06 N1+ ATOM 0 H LYS A 34 7.864 -1.032 4.053 1.00 0.00 H new ATOM 0 HA LYS A 34 9.049 0.224 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.603 -2.445 4.982 1.00 0.03 H new ATOM 0 HB3 LYS A 34 10.188 -1.970 6.564 1.00 0.03 H new ATOM 0 HG2 LYS A 34 7.871 -1.741 7.378 1.00 1.12 H new ATOM 0 HG3 LYS A 34 7.254 -2.142 5.787 1.00 1.12 H new ATOM 0 HD2 LYS A 34 7.112 -4.138 7.091 1.00 1.73 H new ATOM 0 HD3 LYS A 34 8.433 -4.374 5.965 1.00 1.73 H new ATOM 0 HE2 LYS A 34 8.904 -3.357 8.785 1.00 2.35 H new ATOM 0 HE3 LYS A 34 8.801 -5.070 8.429 1.00 2.35 H new ATOM 0 HZ1 LYS A 34 10.954 -4.954 7.977 1.00 3.06 H new ATOM 0 HZ2 LYS A 34 10.560 -4.100 6.563 1.00 3.06 H new ATOM 0 HZ3 LYS A 34 10.959 -3.256 7.982 1.00 3.06 H new ATOM 334 N PHE A 35 10.949 -0.222 3.661 1.00 0.00 N ATOM 335 CA PHE A 35 12.188 0.166 3.001 1.00 0.00 C ATOM 336 C PHE A 35 12.262 1.718 2.991 1.00 0.00 C ATOM 337 O PHE A 35 13.263 2.292 3.425 1.00 0.00 O ATOM 338 CB PHE A 35 12.248 -0.403 1.580 1.00 0.02 C ATOM 339 CG PHE A 35 13.489 -0.029 0.810 1.00 0.15 C ATOM 340 CD1 PHE A 35 14.754 -0.407 1.250 1.00 0.28 C ATOM 341 CD2 PHE A 35 13.387 0.700 -0.365 1.00 0.32 C ATOM 342 CE1 PHE A 35 15.881 -0.064 0.527 1.00 0.39 C ATOM 343 CE2 PHE A 35 14.513 1.043 -1.087 1.00 0.43 C ATOM 344 CZ PHE A 35 15.760 0.660 -0.641 1.00 0.43 C ATOM 0 H PHE A 35 10.320 -0.767 3.072 1.00 0.00 H new ATOM 0 HA PHE A 35 13.044 -0.239 3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 35 12.183 -1.490 1.634 1.00 0.02 H new ATOM 0 HB3 PHE A 35 11.374 -0.058 1.027 1.00 0.02 H new ATOM 0 HD1 PHE A 35 14.856 -0.973 2.164 1.00 0.28 H new ATOM 0 HD2 PHE A 35 12.413 1.004 -0.720 1.00 0.32 H new ATOM 0 HE1 PHE A 35 16.858 -0.363 0.877 1.00 0.39 H new ATOM 0 HE2 PHE A 35 14.417 1.611 -2.001 1.00 0.43 H new ATOM 0 HZ PHE A 35 16.641 0.927 -1.205 1.00 0.43 H new ATOM 354 N LEU A 36 11.203 2.377 2.507 1.00 0.00 N ATOM 355 CA LEU A 36 11.139 3.845 2.432 1.00 0.00 C ATOM 356 C LEU A 36 11.176 4.556 3.780 1.00 0.00 C ATOM 357 O LEU A 36 11.542 5.732 3.854 1.00 0.00 O ATOM 358 CB LEU A 36 9.867 4.247 1.682 1.00 0.02 C ATOM 359 CG LEU A 36 9.860 5.667 1.121 1.00 0.86 C ATOM 360 CD1 LEU A 36 10.903 5.803 0.024 1.00 1.51 C ATOM 361 CD2 LEU A 36 8.482 6.018 0.591 1.00 1.55 C ATOM 0 H LEU A 36 10.366 1.911 2.156 1.00 0.00 H new ATOM 0 HA LEU A 36 12.040 4.162 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.714 3.548 0.859 1.00 0.02 H new ATOM 0 HB3 LEU A 36 9.018 4.136 2.356 1.00 0.02 H new ATOM 0 HG LEU A 36 10.108 6.362 1.923 1.00 0.86 H new ATOM 0 HD11 LEU A 36 10.888 6.820 -0.368 1.00 1.51 H new ATOM 0 HD12 LEU A 36 11.890 5.586 0.432 1.00 1.51 H new ATOM 0 HD13 LEU A 36 10.680 5.101 -0.779 1.00 1.51 H new ATOM 0 HD21 LEU A 36 8.492 7.033 0.194 1.00 1.55 H new ATOM 0 HD22 LEU A 36 8.209 5.321 -0.202 1.00 1.55 H new ATOM 0 HD23 LEU A 36 7.754 5.952 1.399 1.00 1.55 H new ATOM 373 N GLN A 37 10.800 3.850 4.841 1.00 0.00 N ATOM 374 CA GLN A 37 10.804 4.431 6.185 1.00 0.00 C ATOM 375 C GLN A 37 12.160 4.236 6.893 1.00 0.00 C ATOM 376 O GLN A 37 12.401 4.822 7.956 1.00 0.00 O ATOM 377 CB GLN A 37 9.655 3.891 7.044 1.00 0.04 C ATOM 378 CG GLN A 37 9.767 2.423 7.397 1.00 1.15 C ATOM 379 CD GLN A 37 8.580 1.929 8.194 1.00 1.62 C ATOM 380 OE1 GLN A 37 8.588 1.947 9.424 1.00 2.24 O ATOM 381 NE2 GLN A 37 7.549 1.489 7.495 1.00 2.28 N ATOM 0 H GLN A 37 10.490 2.879 4.800 1.00 0.00 H new ATOM 0 HA GLN A 37 10.649 5.503 6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.605 4.470 7.966 1.00 0.04 H new ATOM 0 HB3 GLN A 37 8.716 4.053 6.515 1.00 0.04 H new ATOM 0 HG2 GLN A 37 9.855 1.838 6.482 1.00 1.15 H new ATOM 0 HG3 GLN A 37 10.680 2.259 7.970 1.00 1.15 H new ATOM 0 HE21 GLN A 37 7.585 1.492 6.476 1.00 2.28 H new ATOM 0 HE22 GLN A 37 6.717 1.146 7.975 1.00 2.28 H new ATOM 390 N ASN A 38 13.034 3.421 6.300 1.00 0.00 N ATOM 391 CA ASN A 38 14.366 3.137 6.872 1.00 0.00 C ATOM 392 C ASN A 38 15.242 4.375 6.895 1.00 0.00 C ATOM 393 O ASN A 38 15.328 5.095 5.902 1.00 0.00 O ATOM 394 CB ASN A 38 15.048 2.035 6.060 1.00 0.03 C ATOM 395 CG ASN A 38 16.447 1.723 6.545 1.00 0.88 C ATOM 396 OD1 ASN A 38 17.418 2.354 6.126 1.00 1.66 O ATOM 397 ND2 ASN A 38 16.562 0.742 7.422 1.00 1.27 N ATOM 0 H ASN A 38 12.849 2.940 5.420 1.00 0.00 H new ATOM 0 HA ASN A 38 14.227 2.809 7.902 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.443 1.130 6.107 1.00 0.03 H new ATOM 0 HB3 ASN A 38 15.091 2.336 5.013 1.00 0.03 H new ATOM 0 HD21 ASN A 38 17.482 0.482 7.778 1.00 1.27 H new ATOM 0 HD22 ASN A 38 15.731 0.245 7.743 1.00 1.27 H new ATOM 404 N SER A 39 15.892 4.619 8.029 1.00 0.00 N ATOM 405 CA SER A 39 16.762 5.791 8.205 1.00 0.00 C ATOM 406 C SER A 39 17.856 5.965 7.172 1.00 0.00 C ATOM 407 O SER A 39 18.055 7.073 6.661 1.00 0.00 O ATOM 408 CB SER A 39 17.375 5.750 9.605 1.00 0.02 C ATOM 409 OG SER A 39 18.135 6.915 9.875 1.00 1.29 O ATOM 0 H SER A 39 15.835 4.018 8.851 1.00 0.00 H new ATOM 0 HA SER A 39 16.114 6.656 8.066 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.583 5.651 10.347 1.00 0.02 H new ATOM 0 HB3 SER A 39 18.011 4.870 9.699 1.00 0.02 H new ATOM 0 HG SER A 39 18.512 6.858 10.778 1.00 1.29 H new ATOM 415 N ARG A 40 18.565 4.882 6.869 1.00 0.00 N ATOM 416 CA ARG A 40 19.644 4.924 5.883 1.00 0.00 C ATOM 417 C ARG A 40 19.072 5.182 4.491 1.00 0.00 C ATOM 418 O ARG A 40 19.622 5.963 3.720 1.00 0.00 O ATOM 419 CB ARG A 40 20.444 3.627 5.927 1.00 0.04 C ATOM 420 CG ARG A 40 21.158 3.401 7.249 1.00 0.70 C ATOM 421 CD ARG A 40 22.150 4.515 7.546 1.00 1.41 C ATOM 422 NE ARG A 40 23.225 4.568 6.555 1.00 2.12 N ATOM 423 CZ ARG A 40 23.783 5.697 6.115 1.00 3.08 C ATOM 424 NH1 ARG A 40 23.346 6.877 6.548 1.00 3.56 N1+ ATOM 425 NH2 ARG A 40 24.776 5.646 5.234 1.00 3.96 N ATOM 0 H ARG A 40 18.414 3.965 7.290 1.00 0.00 H new ATOM 0 HA ARG A 40 20.322 5.743 6.123 1.00 0.00 H new ATOM 0 HB2 ARG A 40 19.773 2.789 5.737 1.00 0.04 H new ATOM 0 HB3 ARG A 40 21.179 3.635 5.123 1.00 0.04 H new ATOM 0 HG2 ARG A 40 20.425 3.341 8.054 1.00 0.70 H new ATOM 0 HG3 ARG A 40 21.681 2.445 7.222 1.00 0.70 H new ATOM 0 HD2 ARG A 40 21.627 5.471 7.565 1.00 1.41 H new ATOM 0 HD3 ARG A 40 22.577 4.365 8.537 1.00 1.41 H new ATOM 0 HE ARG A 40 23.570 3.686 6.177 1.00 2.12 H new ATOM 0 HH11 ARG A 40 22.580 6.922 7.220 1.00 3.56 H new ATOM 0 HH12 ARG A 40 23.777 7.737 6.208 1.00 3.56 H new ATOM 0 HH21 ARG A 40 25.111 4.744 4.895 1.00 3.96 H new ATOM 0 HH22 ARG A 40 25.203 6.509 4.897 1.00 3.96 H new ATOM 439 N VAL A 41 17.960 4.518 4.183 1.00 0.00 N ATOM 440 CA VAL A 41 17.309 4.667 2.887 1.00 0.00 C ATOM 441 C VAL A 41 16.862 6.104 2.635 1.00 0.00 C ATOM 442 O VAL A 41 17.041 6.627 1.534 1.00 0.00 O ATOM 443 CB VAL A 41 16.091 3.732 2.768 1.00 0.03 C ATOM 444 CG1 VAL A 41 15.321 3.982 1.478 1.00 0.06 C ATOM 445 CG2 VAL A 41 16.551 2.294 2.840 1.00 0.10 C ATOM 0 H VAL A 41 17.491 3.870 4.816 1.00 0.00 H new ATOM 0 HA VAL A 41 18.050 4.397 2.135 1.00 0.00 H new ATOM 0 HB VAL A 41 15.414 3.939 3.597 1.00 0.03 H new ATOM 0 HG11 VAL A 41 14.468 3.305 1.426 1.00 0.06 H new ATOM 0 HG12 VAL A 41 14.968 5.013 1.459 1.00 0.06 H new ATOM 0 HG13 VAL A 41 15.975 3.807 0.624 1.00 0.06 H new ATOM 0 HG21 VAL A 41 15.689 1.632 2.756 1.00 0.10 H new ATOM 0 HG22 VAL A 41 17.245 2.093 2.024 1.00 0.10 H new ATOM 0 HG23 VAL A 41 17.051 2.119 3.793 1.00 0.10 H new ATOM 455 N ARG A 42 16.288 6.739 3.655 1.00 0.00 N ATOM 456 CA ARG A 42 15.811 8.123 3.544 1.00 0.00 C ATOM 457 C ARG A 42 16.913 9.133 3.251 1.00 0.00 C ATOM 458 O ARG A 42 16.631 10.266 2.848 1.00 0.00 O ATOM 459 CB ARG A 42 15.153 8.581 4.846 1.00 0.05 C ATOM 460 CG ARG A 42 13.979 7.754 5.330 1.00 1.16 C ATOM 461 CD ARG A 42 13.403 8.382 6.588 1.00 1.46 C ATOM 462 NE ARG A 42 12.423 7.538 7.258 1.00 2.00 N ATOM 463 CZ ARG A 42 11.347 8.013 7.882 1.00 2.62 C ATOM 464 NH1 ARG A 42 11.080 9.313 7.849 1.00 2.86 N1+ ATOM 465 NH2 ARG A 42 10.541 7.189 8.539 1.00 3.47 N ATOM 0 H ARG A 42 16.140 6.318 4.572 1.00 0.00 H new ATOM 0 HA ARG A 42 15.110 8.100 2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.912 8.590 5.629 1.00 0.05 H new ATOM 0 HB3 ARG A 42 14.817 9.610 4.717 1.00 0.05 H new ATOM 0 HG2 ARG A 42 13.215 7.699 4.555 1.00 1.16 H new ATOM 0 HG3 ARG A 42 14.299 6.732 5.534 1.00 1.16 H new ATOM 0 HD2 ARG A 42 14.216 8.603 7.280 1.00 1.46 H new ATOM 0 HD3 ARG A 42 12.937 9.333 6.330 1.00 1.46 H new ATOM 0 HE ARG A 42 12.569 6.529 7.249 1.00 2.00 H new ATOM 0 HH11 ARG A 42 11.699 9.948 7.346 1.00 2.86 H new ATOM 0 HH12 ARG A 42 10.256 9.677 8.327 1.00 2.86 H new ATOM 0 HH21 ARG A 42 10.745 6.190 8.567 1.00 3.47 H new ATOM 0 HH22 ARG A 42 9.717 7.554 9.017 1.00 3.47 H new ATOM 479 N GLN A 43 18.162 8.721 3.450 1.00 0.00 N ATOM 480 CA GLN A 43 19.303 9.598 3.203 1.00 0.00 C ATOM 481 C GLN A 43 19.651 9.680 1.719 1.00 0.00 C ATOM 482 O GLN A 43 20.325 10.618 1.279 1.00 0.00 O ATOM 483 CB GLN A 43 20.519 9.120 3.997 1.00 0.03 C ATOM 484 CG GLN A 43 20.288 9.067 5.498 1.00 1.21 C ATOM 485 CD GLN A 43 19.931 10.420 6.082 1.00 1.79 C ATOM 486 OE1 GLN A 43 20.805 11.184 6.489 1.00 2.41 O ATOM 487 NE2 GLN A 43 18.646 10.720 6.144 1.00 2.48 N ATOM 0 H GLN A 43 18.410 7.788 3.781 1.00 0.00 H new ATOM 0 HA GLN A 43 19.022 10.598 3.533 1.00 0.00 H new ATOM 0 HB2 GLN A 43 20.803 8.127 3.647 1.00 0.03 H new ATOM 0 HB3 GLN A 43 21.359 9.783 3.791 1.00 0.03 H new ATOM 0 HG2 GLN A 43 19.487 8.360 5.714 1.00 1.21 H new ATOM 0 HG3 GLN A 43 21.186 8.690 5.987 1.00 1.21 H new ATOM 0 HE21 GLN A 43 17.951 10.060 5.796 1.00 2.48 H new ATOM 0 HE22 GLN A 43 18.349 11.612 6.540 1.00 2.48 H new ATOM 496 N SER A 44 19.194 8.697 0.951 1.00 0.00 N ATOM 497 CA SER A 44 19.470 8.664 -0.476 1.00 0.00 C ATOM 498 C SER A 44 18.526 9.547 -1.272 1.00 0.00 C ATOM 499 O SER A 44 17.391 9.779 -0.844 1.00 0.00 O ATOM 500 CB SER A 44 19.416 7.234 -0.981 1.00 0.04 C ATOM 501 OG SER A 44 20.397 6.431 -0.343 1.00 0.95 O ATOM 0 H SER A 44 18.633 7.917 1.293 1.00 0.00 H new ATOM 0 HA SER A 44 20.473 9.064 -0.623 1.00 0.00 H new ATOM 0 HB2 SER A 44 18.425 6.817 -0.799 1.00 0.04 H new ATOM 0 HB3 SER A 44 19.574 7.219 -2.059 1.00 0.04 H new ATOM 0 HG SER A 44 20.019 5.548 -0.146 1.00 0.95 H new ATOM 507 N PRO A 45 18.975 10.057 -2.441 1.00 0.00 N ATOM 508 CA PRO A 45 18.120 10.904 -3.262 1.00 0.00 C ATOM 509 C PRO A 45 16.835 10.161 -3.644 1.00 0.00 C ATOM 510 O PRO A 45 16.839 8.936 -3.803 1.00 0.00 O ATOM 511 CB PRO A 45 18.972 11.185 -4.505 1.00 0.00 C ATOM 512 CG PRO A 45 20.378 10.929 -4.083 1.00 0.02 C ATOM 513 CD PRO A 45 20.311 9.865 -3.025 1.00 0.01 C ATOM 0 HA PRO A 45 17.806 11.814 -2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 45 18.686 10.537 -5.333 1.00 0.00 H new ATOM 0 HB3 PRO A 45 18.844 12.213 -4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 45 20.984 10.601 -4.927 1.00 0.02 H new ATOM 0 HG3 PRO A 45 20.839 11.837 -3.694 1.00 0.02 H new ATOM 0 HD2 PRO A 45 20.426 8.867 -3.449 1.00 0.01 H new ATOM 0 HD3 PRO A 45 21.098 9.987 -2.280 1.00 0.01 H new ATOM 521 N LEU A 46 15.750 10.913 -3.786 1.00 0.00 N ATOM 522 CA LEU A 46 14.463 10.345 -4.151 1.00 0.00 C ATOM 523 C LEU A 46 14.556 9.406 -5.367 1.00 0.00 C ATOM 524 O LEU A 46 14.077 8.271 -5.306 1.00 0.00 O ATOM 525 CB LEU A 46 13.397 11.431 -4.389 1.00 0.03 C ATOM 526 CG LEU A 46 13.731 12.510 -5.425 1.00 1.24 C ATOM 527 CD1 LEU A 46 12.453 13.080 -6.018 1.00 2.00 C ATOM 528 CD2 LEU A 46 14.540 13.629 -4.790 1.00 1.95 C ATOM 0 H LEU A 46 15.739 11.924 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 46 14.150 9.746 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.474 10.940 -4.696 1.00 0.03 H new ATOM 0 HB3 LEU A 46 13.195 11.924 -3.438 1.00 0.03 H new ATOM 0 HG LEU A 46 14.324 12.052 -6.217 1.00 1.24 H new ATOM 0 HD11 LEU A 46 12.703 13.846 -6.753 1.00 2.00 H new ATOM 0 HD12 LEU A 46 11.889 12.283 -6.502 1.00 2.00 H new ATOM 0 HD13 LEU A 46 11.849 13.521 -5.225 1.00 2.00 H new ATOM 0 HD21 LEU A 46 14.767 14.385 -5.541 1.00 1.95 H new ATOM 0 HD22 LEU A 46 13.964 14.081 -3.983 1.00 1.95 H new ATOM 0 HD23 LEU A 46 15.470 13.224 -4.390 1.00 1.95 H new ATOM 540 N ALA A 47 15.168 9.882 -6.457 1.00 0.00 N ATOM 541 CA ALA A 47 15.315 9.084 -7.684 1.00 0.00 C ATOM 542 C ALA A 47 15.966 7.735 -7.429 1.00 0.00 C ATOM 543 O ALA A 47 15.615 6.732 -8.062 1.00 0.00 O ATOM 544 CB ALA A 47 16.112 9.860 -8.721 1.00 0.01 C ATOM 0 H ALA A 47 15.571 10.817 -6.516 1.00 0.00 H new ATOM 0 HA ALA A 47 14.311 8.890 -8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.215 9.260 -9.625 1.00 0.01 H new ATOM 0 HB2 ALA A 47 15.593 10.788 -8.959 1.00 0.01 H new ATOM 0 HB3 ALA A 47 17.101 10.089 -8.323 1.00 0.01 H new ATOM 550 N THR A 48 16.915 7.731 -6.493 1.00 0.00 N ATOM 551 CA THR A 48 17.672 6.528 -6.092 1.00 0.00 C ATOM 552 C THR A 48 16.740 5.527 -5.404 1.00 0.00 C ATOM 553 O THR A 48 16.797 4.331 -5.684 1.00 0.00 O ATOM 554 CB THR A 48 18.816 6.893 -5.133 1.00 0.02 C ATOM 555 OG1 THR A 48 19.606 7.947 -5.698 1.00 0.11 O ATOM 556 CG2 THR A 48 19.690 5.684 -4.855 1.00 0.13 C ATOM 0 H THR A 48 17.189 8.570 -5.981 1.00 0.00 H new ATOM 0 HA THR A 48 18.095 6.081 -6.992 1.00 0.00 H new ATOM 0 HB THR A 48 18.384 7.230 -4.191 1.00 0.02 H new ATOM 0 HG1 THR A 48 20.484 7.596 -5.955 1.00 0.11 H new ATOM 0 HG21 THR A 48 20.493 5.965 -4.174 1.00 0.13 H new ATOM 0 HG22 THR A 48 19.088 4.897 -4.401 1.00 0.13 H new ATOM 0 HG23 THR A 48 20.117 5.321 -5.790 1.00 0.13 H new ATOM 564 N ARG A 49 15.885 6.030 -4.506 1.00 0.00 N ATOM 565 CA ARG A 49 14.918 5.196 -3.776 1.00 0.00 C ATOM 566 C ARG A 49 13.904 4.581 -4.773 1.00 0.00 C ATOM 567 O ARG A 49 13.605 3.388 -4.701 1.00 0.00 O ATOM 568 CB ARG A 49 14.213 6.055 -2.716 1.00 0.04 C ATOM 569 CG ARG A 49 15.197 6.777 -1.800 1.00 0.59 C ATOM 570 CD ARG A 49 14.568 7.958 -1.074 1.00 0.63 C ATOM 571 NE ARG A 49 13.742 7.555 0.064 1.00 1.10 N ATOM 572 CZ ARG A 49 13.345 8.398 1.023 1.00 1.25 C ATOM 573 NH1 ARG A 49 13.694 9.681 0.973 1.00 1.08 N1+ ATOM 574 NH2 ARG A 49 12.604 7.961 2.035 1.00 2.30 N ATOM 0 H ARG A 49 15.842 7.020 -4.265 1.00 0.00 H new ATOM 0 HA ARG A 49 15.430 4.377 -3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.578 6.789 -3.212 1.00 0.04 H new ATOM 0 HB3 ARG A 49 13.560 5.422 -2.115 1.00 0.04 H new ATOM 0 HG2 ARG A 49 15.588 6.072 -1.067 1.00 0.59 H new ATOM 0 HG3 ARG A 49 16.045 7.128 -2.389 1.00 0.59 H new ATOM 0 HD2 ARG A 49 15.357 8.625 -0.725 1.00 0.63 H new ATOM 0 HD3 ARG A 49 13.957 8.526 -1.776 1.00 0.63 H new ATOM 0 HE ARG A 49 13.453 6.579 0.129 1.00 1.10 H new ATOM 0 HH11 ARG A 49 14.266 10.024 0.201 1.00 1.08 H new ATOM 0 HH12 ARG A 49 13.389 10.321 1.706 1.00 1.08 H new ATOM 0 HH21 ARG A 49 12.335 6.978 2.083 1.00 2.30 H new ATOM 0 HH22 ARG A 49 12.304 8.608 2.764 1.00 2.30 H new ATOM 588 N ARG A 50 13.384 5.391 -5.693 1.00 0.00 N ATOM 589 CA ARG A 50 12.425 4.896 -6.678 1.00 0.00 C ATOM 590 C ARG A 50 13.081 3.842 -7.584 1.00 0.00 C ATOM 591 O ARG A 50 12.506 2.779 -7.824 1.00 0.00 O ATOM 592 CB ARG A 50 11.854 6.047 -7.508 1.00 0.06 C ATOM 593 CG ARG A 50 10.843 6.883 -6.743 1.00 1.20 C ATOM 594 CD ARG A 50 10.297 8.025 -7.584 1.00 1.36 C ATOM 595 NE ARG A 50 9.160 8.674 -6.934 1.00 1.99 N ATOM 596 CZ ARG A 50 9.063 9.982 -6.714 1.00 2.57 C ATOM 597 NH1 ARG A 50 10.023 10.808 -7.105 1.00 2.76 N1+ ATOM 598 NH2 ARG A 50 7.991 10.465 -6.102 1.00 3.51 N ATOM 0 H ARG A 50 13.608 6.383 -5.777 1.00 0.00 H new ATOM 0 HA ARG A 50 11.599 4.424 -6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 50 12.670 6.688 -7.841 1.00 0.06 H new ATOM 0 HB3 ARG A 50 11.381 5.643 -8.403 1.00 0.06 H new ATOM 0 HG2 ARG A 50 10.020 6.247 -6.416 1.00 1.20 H new ATOM 0 HG3 ARG A 50 11.311 7.286 -5.845 1.00 1.20 H new ATOM 0 HD2 ARG A 50 11.084 8.758 -7.759 1.00 1.36 H new ATOM 0 HD3 ARG A 50 9.992 7.646 -8.559 1.00 1.36 H new ATOM 0 HE ARG A 50 8.387 8.083 -6.628 1.00 1.99 H new ATOM 0 HH11 ARG A 50 10.848 10.442 -7.581 1.00 2.76 H new ATOM 0 HH12 ARG A 50 9.937 11.809 -6.930 1.00 2.76 H new ATOM 0 HH21 ARG A 50 7.247 9.835 -5.803 1.00 3.51 H new ATOM 0 HH22 ARG A 50 7.910 11.467 -5.930 1.00 3.51 H new ATOM 612 N ALA A 51 14.284 4.148 -8.080 1.00 0.00 N ATOM 613 CA ALA A 51 15.021 3.233 -8.959 1.00 0.00 C ATOM 614 C ALA A 51 15.344 1.921 -8.254 1.00 0.00 C ATOM 615 O ALA A 51 15.298 0.855 -8.874 1.00 0.00 O ATOM 616 CB ALA A 51 16.302 3.891 -9.451 1.00 0.01 C ATOM 0 H ALA A 51 14.769 5.024 -7.887 1.00 0.00 H new ATOM 0 HA ALA A 51 14.383 3.007 -9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.839 3.201 -10.102 1.00 0.01 H new ATOM 0 HB2 ALA A 51 16.056 4.796 -10.006 1.00 0.01 H new ATOM 0 HB3 ALA A 51 16.930 4.148 -8.598 1.00 0.01 H new ATOM 622 N PHE A 52 15.673 2.000 -6.956 1.00 0.00 N ATOM 623 CA PHE A 52 15.993 0.789 -6.195 1.00 0.00 C ATOM 624 C PHE A 52 14.749 -0.112 -6.201 1.00 0.00 C ATOM 625 O PHE A 52 14.844 -1.311 -6.465 1.00 0.00 O ATOM 626 CB PHE A 52 16.488 1.046 -4.782 1.00 0.05 C ATOM 627 CG PHE A 52 17.481 -0.005 -4.377 1.00 0.37 C ATOM 628 CD1 PHE A 52 18.835 0.149 -4.637 1.00 0.60 C ATOM 629 CD2 PHE A 52 17.058 -1.137 -3.695 1.00 0.62 C ATOM 630 CE1 PHE A 52 19.741 -0.809 -4.226 1.00 0.89 C ATOM 631 CE2 PHE A 52 17.963 -2.097 -3.290 1.00 0.89 C ATOM 632 CZ PHE A 52 19.330 -1.965 -3.704 1.00 0.99 C ATOM 0 H PHE A 52 15.723 2.869 -6.424 1.00 0.00 H new ATOM 0 HA PHE A 52 16.835 0.299 -6.683 1.00 0.00 H new ATOM 0 HB2 PHE A 52 16.949 2.032 -4.725 1.00 0.05 H new ATOM 0 HB3 PHE A 52 15.646 1.047 -4.089 1.00 0.05 H new ATOM 0 HD1 PHE A 52 19.183 1.025 -5.165 1.00 0.60 H new ATOM 0 HD2 PHE A 52 16.008 -1.268 -3.479 1.00 0.62 H new ATOM 0 HE1 PHE A 52 20.799 -0.619 -4.329 1.00 0.89 H new ATOM 0 HE2 PHE A 52 17.649 -2.928 -2.676 1.00 0.89 H new ATOM 0 HZ PHE A 52 20.017 -2.791 -3.594 1.00 0.99 H new ATOM 642 N LEU A 53 13.584 0.473 -5.914 1.00 0.00 N ATOM 643 CA LEU A 53 12.320 -0.273 -5.895 1.00 0.00 C ATOM 644 C LEU A 53 11.990 -0.850 -7.290 1.00 0.00 C ATOM 645 O LEU A 53 11.459 -1.963 -7.395 1.00 0.00 O ATOM 646 CB LEU A 53 11.177 0.618 -5.403 1.00 0.02 C ATOM 647 CG LEU A 53 11.272 1.040 -3.936 1.00 0.55 C ATOM 648 CD1 LEU A 53 10.126 1.970 -3.574 1.00 1.25 C ATOM 649 CD2 LEU A 53 11.268 -0.183 -3.031 1.00 1.14 C ATOM 0 H LEU A 53 13.488 1.464 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 53 12.436 -1.108 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.143 1.515 -6.022 1.00 0.02 H new ATOM 0 HB3 LEU A 53 10.235 0.091 -5.554 1.00 0.02 H new ATOM 0 HG LEU A 53 12.210 1.576 -3.792 1.00 0.55 H new ATOM 0 HD11 LEU A 53 10.210 2.260 -2.527 1.00 1.25 H new ATOM 0 HD12 LEU A 53 10.168 2.860 -4.202 1.00 1.25 H new ATOM 0 HD13 LEU A 53 9.177 1.458 -3.734 1.00 1.25 H new ATOM 0 HD21 LEU A 53 11.336 0.134 -1.990 1.00 1.14 H new ATOM 0 HD22 LEU A 53 10.345 -0.743 -3.180 1.00 1.14 H new ATOM 0 HD23 LEU A 53 12.120 -0.818 -3.273 1.00 1.14 H new ATOM 661 N LYS A 54 12.303 -0.100 -8.347 1.00 0.00 N ATOM 662 CA LYS A 54 12.045 -0.555 -9.707 1.00 0.00 C ATOM 663 C LYS A 54 12.908 -1.803 -10.005 1.00 0.00 C ATOM 664 O LYS A 54 12.414 -2.767 -10.591 1.00 0.00 O ATOM 665 CB LYS A 54 12.451 0.517 -10.719 1.00 0.04 C ATOM 666 CG LYS A 54 11.648 1.789 -10.652 1.00 1.04 C ATOM 667 CD LYS A 54 10.246 1.577 -11.169 1.00 1.51 C ATOM 668 CE LYS A 54 9.514 2.894 -11.272 1.00 1.91 C ATOM 669 NZ LYS A 54 10.193 3.832 -12.204 1.00 2.46 N1+ ATOM 0 H LYS A 54 12.734 0.822 -8.285 1.00 0.00 H new ATOM 0 HA LYS A 54 10.981 -0.774 -9.791 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.503 0.760 -10.567 1.00 0.04 H new ATOM 0 HB3 LYS A 54 12.362 0.101 -11.723 1.00 0.04 H new ATOM 0 HG2 LYS A 54 11.609 2.144 -9.622 1.00 1.04 H new ATOM 0 HG3 LYS A 54 12.141 2.565 -11.238 1.00 1.04 H new ATOM 0 HD2 LYS A 54 10.282 1.097 -12.147 1.00 1.51 H new ATOM 0 HD3 LYS A 54 9.705 0.905 -10.503 1.00 1.51 H new ATOM 0 HE2 LYS A 54 8.494 2.717 -11.613 1.00 1.91 H new ATOM 0 HE3 LYS A 54 9.445 3.350 -10.284 1.00 1.91 H new ATOM 0 HZ1 LYS A 54 9.525 4.572 -12.499 1.00 2.46 H new ATOM 0 HZ2 LYS A 54 11.006 4.270 -11.725 1.00 2.46 H new ATOM 0 HZ3 LYS A 54 10.524 3.311 -13.041 1.00 2.46 H new ATOM 683 N LYS A 55 14.183 -1.788 -9.603 1.00 0.00 N ATOM 684 CA LYS A 55 15.079 -2.938 -9.846 1.00 0.00 C ATOM 685 C LYS A 55 14.635 -4.162 -9.048 1.00 0.00 C ATOM 686 O LYS A 55 14.997 -5.291 -9.375 1.00 0.00 O ATOM 687 CB LYS A 55 16.569 -2.605 -9.603 1.00 0.04 C ATOM 688 CG LYS A 55 16.947 -2.167 -8.192 1.00 1.16 C ATOM 689 CD LYS A 55 17.052 -3.325 -7.197 1.00 1.85 C ATOM 690 CE LYS A 55 18.255 -4.227 -7.459 1.00 2.58 C ATOM 691 NZ LYS A 55 18.008 -5.211 -8.546 1.00 3.20 N1+ ATOM 0 H LYS A 55 14.619 -1.007 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 55 14.995 -3.179 -10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.161 -3.484 -9.857 1.00 0.04 H new ATOM 0 HB3 LYS A 55 16.859 -1.814 -10.295 1.00 0.04 H new ATOM 0 HG2 LYS A 55 17.902 -1.642 -8.227 1.00 1.16 H new ATOM 0 HG3 LYS A 55 16.205 -1.455 -7.831 1.00 1.16 H new ATOM 0 HD2 LYS A 55 17.119 -2.923 -6.186 1.00 1.85 H new ATOM 0 HD3 LYS A 55 16.141 -3.921 -7.244 1.00 1.85 H new ATOM 0 HE2 LYS A 55 19.116 -3.611 -7.720 1.00 2.58 H new ATOM 0 HE3 LYS A 55 18.511 -4.760 -6.543 1.00 2.58 H new ATOM 0 HZ1 LYS A 55 18.336 -6.151 -8.245 1.00 3.20 H new ATOM 0 HZ2 LYS A 55 16.990 -5.250 -8.754 1.00 3.20 H new ATOM 0 HZ3 LYS A 55 18.525 -4.921 -9.401 1.00 3.20 H new ATOM 705 N LYS A 56 13.843 -3.916 -8.005 1.00 0.00 N ATOM 706 CA LYS A 56 13.307 -4.972 -7.146 1.00 0.00 C ATOM 707 C LYS A 56 12.034 -5.572 -7.797 1.00 0.00 C ATOM 708 O LYS A 56 11.497 -6.573 -7.308 1.00 0.00 O ATOM 709 CB LYS A 56 13.004 -4.398 -5.754 1.00 0.05 C ATOM 710 CG LYS A 56 12.898 -5.438 -4.646 1.00 0.97 C ATOM 711 CD LYS A 56 11.479 -5.941 -4.452 1.00 1.62 C ATOM 712 CE LYS A 56 11.398 -6.960 -3.330 1.00 2.03 C ATOM 713 NZ LYS A 56 12.145 -8.207 -3.647 1.00 2.62 N1+ ATOM 0 H LYS A 56 13.554 -2.977 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 56 14.041 -5.770 -7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.786 -3.686 -5.492 1.00 0.05 H new ATOM 0 HB3 LYS A 56 12.068 -3.841 -5.801 1.00 0.05 H new ATOM 0 HG2 LYS A 56 13.549 -6.280 -4.880 1.00 0.97 H new ATOM 0 HG3 LYS A 56 13.258 -5.006 -3.712 1.00 0.97 H new ATOM 0 HD2 LYS A 56 10.821 -5.101 -4.230 1.00 1.62 H new ATOM 0 HD3 LYS A 56 11.121 -6.390 -5.379 1.00 1.62 H new ATOM 0 HE2 LYS A 56 11.797 -6.522 -2.415 1.00 2.03 H new ATOM 0 HE3 LYS A 56 10.353 -7.204 -3.138 1.00 2.03 H new ATOM 0 HZ1 LYS A 56 11.938 -8.928 -2.927 1.00 2.62 H new ATOM 0 HZ2 LYS A 56 11.854 -8.558 -4.582 1.00 2.62 H new ATOM 0 HZ3 LYS A 56 13.166 -8.008 -3.654 1.00 2.62 H new ATOM 727 N GLY A 57 11.570 -4.954 -8.884 1.00 0.00 N ATOM 728 CA GLY A 57 10.386 -5.443 -9.573 1.00 0.00 C ATOM 729 C GLY A 57 9.079 -4.713 -9.351 1.00 0.00 C ATOM 730 O GLY A 57 8.049 -5.153 -9.863 1.00 0.00 O ATOM 0 H GLY A 57 11.993 -4.124 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.595 -5.434 -10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.239 -6.484 -9.286 1.00 0.00 H new ATOM 734 N LEU A 58 9.089 -3.614 -8.602 1.00 0.00 N ATOM 735 CA LEU A 58 7.859 -2.874 -8.375 1.00 0.00 C ATOM 736 C LEU A 58 7.637 -1.921 -9.578 1.00 0.00 C ATOM 737 O LEU A 58 8.591 -1.470 -10.213 1.00 0.00 O ATOM 738 CB LEU A 58 7.918 -2.060 -7.075 1.00 0.02 C ATOM 739 CG LEU A 58 7.852 -2.864 -5.770 1.00 0.31 C ATOM 740 CD1 LEU A 58 9.151 -3.610 -5.516 1.00 1.28 C ATOM 741 CD2 LEU A 58 7.525 -1.948 -4.604 1.00 1.24 C ATOM 0 H LEU A 58 9.918 -3.225 -8.152 1.00 0.00 H new ATOM 0 HA LEU A 58 7.035 -3.581 -8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.842 -1.481 -7.075 1.00 0.02 H new ATOM 0 HB3 LEU A 58 7.094 -1.346 -7.080 1.00 0.02 H new ATOM 0 HG LEU A 58 7.058 -3.604 -5.868 1.00 0.31 H new ATOM 0 HD11 LEU A 58 9.073 -4.170 -4.584 1.00 1.28 H new ATOM 0 HD12 LEU A 58 9.342 -4.299 -6.339 1.00 1.28 H new ATOM 0 HD13 LEU A 58 9.972 -2.897 -5.443 1.00 1.28 H new ATOM 0 HD21 LEU A 58 7.481 -2.531 -3.684 1.00 1.24 H new ATOM 0 HD22 LEU A 58 8.298 -1.185 -4.513 1.00 1.24 H new ATOM 0 HD23 LEU A 58 6.561 -1.470 -4.776 1.00 1.24 H new ATOM 753 N THR A 59 6.382 -1.625 -9.881 1.00 0.00 N ATOM 754 CA THR A 59 6.073 -0.729 -10.983 1.00 0.00 C ATOM 755 C THR A 59 5.926 0.682 -10.360 1.00 0.00 C ATOM 756 O THR A 59 5.822 0.815 -9.134 1.00 0.00 O ATOM 757 CB THR A 59 4.766 -1.160 -11.679 1.00 0.03 C ATOM 758 OG1 THR A 59 4.691 -2.592 -11.708 1.00 1.09 O ATOM 759 CG2 THR A 59 4.700 -0.630 -13.103 1.00 1.12 C ATOM 0 H THR A 59 5.569 -1.988 -9.384 1.00 0.00 H new ATOM 0 HA THR A 59 6.855 -0.745 -11.742 1.00 0.00 H new ATOM 0 HB THR A 59 3.929 -0.747 -11.116 1.00 0.03 H new ATOM 0 HG1 THR A 59 3.860 -2.867 -12.149 1.00 1.09 H new ATOM 0 HG21 THR A 59 3.767 -0.950 -13.568 1.00 1.12 H new ATOM 0 HG22 THR A 59 4.743 0.459 -13.088 1.00 1.12 H new ATOM 0 HG23 THR A 59 5.542 -1.018 -13.675 1.00 1.12 H new ATOM 767 N ASP A 60 5.919 1.721 -11.190 1.00 0.00 N ATOM 768 CA ASP A 60 5.777 3.094 -10.692 1.00 0.00 C ATOM 769 C ASP A 60 4.451 3.247 -9.917 1.00 0.00 C ATOM 770 O ASP A 60 4.387 3.977 -8.937 1.00 0.00 O ATOM 771 CB ASP A 60 5.728 4.109 -11.846 1.00 0.03 C ATOM 772 CG ASP A 60 7.023 4.256 -12.604 1.00 1.35 C ATOM 773 OD1 ASP A 60 7.285 3.437 -13.506 1.00 2.18 O1- ATOM 774 OD2 ASP A 60 7.785 5.200 -12.308 1.00 1.89 O ATOM 0 H ASP A 60 6.009 1.645 -12.203 1.00 0.00 H new ATOM 0 HA ASP A 60 6.640 3.286 -10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.945 3.810 -12.543 1.00 0.03 H new ATOM 0 HB3 ASP A 60 5.443 5.082 -11.446 1.00 0.03 H new ATOM 779 N GLU A 61 3.410 2.548 -10.372 1.00 0.00 N ATOM 780 CA GLU A 61 2.090 2.586 -9.735 1.00 0.00 C ATOM 781 C GLU A 61 2.210 2.074 -8.284 1.00 0.00 C ATOM 782 O GLU A 61 1.664 2.669 -7.350 1.00 0.00 O ATOM 783 CB GLU A 61 1.067 1.747 -10.501 1.00 0.03 C ATOM 784 CG GLU A 61 -0.322 1.813 -9.887 1.00 1.28 C ATOM 785 CD GLU A 61 -1.327 0.940 -10.602 1.00 1.80 C ATOM 786 OE1 GLU A 61 -1.419 -0.259 -10.267 1.00 2.33 O1- ATOM 787 OE2 GLU A 61 -2.034 1.453 -11.494 1.00 2.34 O ATOM 0 H GLU A 61 3.456 1.941 -11.190 1.00 0.00 H new ATOM 0 HA GLU A 61 1.738 3.618 -9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.020 2.092 -11.534 1.00 0.03 H new ATOM 0 HB3 GLU A 61 1.400 0.709 -10.526 1.00 0.03 H new ATOM 0 HG2 GLU A 61 -0.265 1.510 -8.841 1.00 1.28 H new ATOM 0 HG3 GLU A 61 -0.671 2.846 -9.902 1.00 1.28 H new ATOM 794 N GLU A 62 2.932 0.969 -8.117 1.00 0.00 N ATOM 795 CA GLU A 62 3.145 0.351 -6.797 1.00 0.00 C ATOM 796 C GLU A 62 4.059 1.211 -5.913 1.00 0.00 C ATOM 797 O GLU A 62 3.853 1.315 -4.707 1.00 0.00 O ATOM 798 CB GLU A 62 3.738 -1.039 -7.015 1.00 0.04 C ATOM 799 CG GLU A 62 3.790 -1.904 -5.776 1.00 0.47 C ATOM 800 CD GLU A 62 3.889 -3.370 -6.128 1.00 1.11 C ATOM 801 OE1 GLU A 62 4.994 -3.820 -6.500 1.00 1.65 O ATOM 802 OE2 GLU A 62 2.883 -4.088 -5.990 1.00 1.99 O1- ATOM 0 H GLU A 62 3.387 0.474 -8.884 1.00 0.00 H new ATOM 0 HA GLU A 62 2.193 0.272 -6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.153 -1.554 -7.777 1.00 0.04 H new ATOM 0 HB3 GLU A 62 4.749 -0.931 -7.409 1.00 0.04 H new ATOM 0 HG2 GLU A 62 4.646 -1.617 -5.166 1.00 0.47 H new ATOM 0 HG3 GLU A 62 2.898 -1.733 -5.174 1.00 0.47 H new ATOM 809 N ILE A 63 5.067 1.825 -6.526 1.00 0.00 N ATOM 810 CA ILE A 63 6.011 2.688 -5.806 1.00 0.00 C ATOM 811 C ILE A 63 5.261 3.933 -5.294 1.00 0.00 C ATOM 812 O ILE A 63 5.463 4.355 -4.158 1.00 0.00 O ATOM 813 CB ILE A 63 7.193 3.105 -6.705 1.00 0.02 C ATOM 814 CG1 ILE A 63 8.032 1.876 -7.055 1.00 0.04 C ATOM 815 CG2 ILE A 63 8.050 4.165 -6.025 1.00 0.06 C ATOM 816 CD1 ILE A 63 9.239 2.188 -7.904 1.00 0.07 C ATOM 0 H ILE A 63 5.255 1.743 -7.525 1.00 0.00 H new ATOM 0 HA ILE A 63 6.424 2.131 -4.965 1.00 0.00 H new ATOM 0 HB ILE A 63 6.797 3.539 -7.623 1.00 0.02 H new ATOM 0 HG12 ILE A 63 8.361 1.397 -6.133 1.00 0.04 H new ATOM 0 HG13 ILE A 63 7.405 1.157 -7.581 1.00 0.04 H new ATOM 0 HG21 ILE A 63 8.876 4.441 -6.681 1.00 0.06 H new ATOM 0 HG22 ILE A 63 7.442 5.046 -5.817 1.00 0.06 H new ATOM 0 HG23 ILE A 63 8.446 3.768 -5.090 1.00 0.06 H new ATOM 0 HD11 ILE A 63 9.785 1.268 -8.112 1.00 0.07 H new ATOM 0 HD12 ILE A 63 8.917 2.639 -8.843 1.00 0.07 H new ATOM 0 HD13 ILE A 63 9.888 2.883 -7.372 1.00 0.07 H new ATOM 828 N ASP A 64 4.399 4.506 -6.142 1.00 0.00 N ATOM 829 CA ASP A 64 3.613 5.693 -5.776 1.00 0.00 C ATOM 830 C ASP A 64 2.766 5.325 -4.544 1.00 0.00 C ATOM 831 O ASP A 64 2.706 6.091 -3.587 1.00 0.00 O ATOM 832 CB ASP A 64 2.721 6.148 -6.931 1.00 0.02 C ATOM 833 CG ASP A 64 1.754 7.239 -6.520 1.00 0.76 C ATOM 834 OD1 ASP A 64 2.196 8.379 -6.269 1.00 1.09 O1- ATOM 835 OD2 ASP A 64 0.541 6.955 -6.436 1.00 1.32 O ATOM 0 H ASP A 64 4.227 4.167 -7.089 1.00 0.00 H new ATOM 0 HA ASP A 64 4.279 6.526 -5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.346 6.509 -7.748 1.00 0.02 H new ATOM 0 HB3 ASP A 64 2.160 5.294 -7.312 1.00 0.02 H new ATOM 840 N MET A 65 2.122 4.147 -4.580 1.00 0.00 N ATOM 841 CA MET A 65 1.286 3.671 -3.458 1.00 0.00 C ATOM 842 C MET A 65 2.145 3.504 -2.179 1.00 0.00 C ATOM 843 O MET A 65 1.686 3.819 -1.074 1.00 0.00 O ATOM 844 CB MET A 65 0.622 2.333 -3.803 1.00 0.07 C ATOM 845 CG MET A 65 -0.821 2.447 -4.274 1.00 1.15 C ATOM 846 SD MET A 65 -1.008 3.431 -5.773 1.00 1.82 S ATOM 847 CE MET A 65 -2.749 3.182 -6.115 1.00 2.28 C ATOM 0 H MET A 65 2.162 3.505 -5.372 1.00 0.00 H new ATOM 0 HA MET A 65 0.510 4.415 -3.278 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.207 1.841 -4.580 1.00 0.07 H new ATOM 0 HB3 MET A 65 0.654 1.689 -2.924 1.00 0.07 H new ATOM 0 HG2 MET A 65 -1.217 1.447 -4.452 1.00 1.15 H new ATOM 0 HG3 MET A 65 -1.421 2.891 -3.480 1.00 1.15 H new ATOM 0 HE1 MET A 65 -3.024 3.729 -7.017 1.00 2.28 H new ATOM 0 HE2 MET A 65 -2.943 2.119 -6.261 1.00 2.28 H new ATOM 0 HE3 MET A 65 -3.341 3.546 -5.275 1.00 2.28 H new ATOM 857 N ALA A 66 3.379 3.015 -2.332 1.00 0.00 N ATOM 858 CA ALA A 66 4.292 2.829 -1.191 1.00 0.00 C ATOM 859 C ALA A 66 4.582 4.218 -0.574 1.00 0.00 C ATOM 860 O ALA A 66 4.494 4.392 0.648 1.00 0.00 O ATOM 861 CB ALA A 66 5.582 2.148 -1.630 1.00 0.00 C ATOM 0 H ALA A 66 3.772 2.740 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 66 3.827 2.182 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.238 2.023 -0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.351 1.171 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.081 2.762 -2.380 1.00 0.00 H new ATOM 867 N PHE A 67 4.922 5.201 -1.418 1.00 0.00 N ATOM 868 CA PHE A 67 5.205 6.548 -0.924 1.00 0.00 C ATOM 869 C PHE A 67 3.954 7.122 -0.242 1.00 0.00 C ATOM 870 O PHE A 67 4.050 7.754 0.808 1.00 0.00 O ATOM 871 CB PHE A 67 5.640 7.469 -2.071 1.00 0.02 C ATOM 872 CG PHE A 67 7.091 7.348 -2.452 1.00 0.69 C ATOM 873 CD1 PHE A 67 7.598 6.171 -2.978 1.00 0.79 C ATOM 874 CD2 PHE A 67 7.949 8.424 -2.287 1.00 1.48 C ATOM 875 CE1 PHE A 67 8.931 6.071 -3.330 1.00 1.35 C ATOM 876 CE2 PHE A 67 9.282 8.328 -2.637 1.00 2.10 C ATOM 877 CZ PHE A 67 9.773 7.150 -3.159 1.00 1.97 C ATOM 0 H PHE A 67 5.006 5.089 -2.428 1.00 0.00 H new ATOM 0 HA PHE A 67 6.020 6.488 -0.202 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.028 7.252 -2.947 1.00 0.02 H new ATOM 0 HB3 PHE A 67 5.437 8.502 -1.788 1.00 0.02 H new ATOM 0 HD1 PHE A 67 6.945 5.322 -3.115 1.00 0.79 H new ATOM 0 HD2 PHE A 67 7.570 9.350 -1.879 1.00 1.48 H new ATOM 0 HE1 PHE A 67 9.313 5.148 -3.739 1.00 1.35 H new ATOM 0 HE2 PHE A 67 9.939 9.175 -2.502 1.00 2.10 H new ATOM 0 HZ PHE A 67 10.815 7.072 -3.433 1.00 1.97 H new ATOM 887 N GLN A 68 2.787 6.895 -0.843 1.00 0.00 N ATOM 888 CA GLN A 68 1.539 7.393 -0.287 1.00 0.00 C ATOM 889 C GLN A 68 1.276 6.880 1.128 1.00 0.00 C ATOM 890 O GLN A 68 0.768 7.617 1.983 1.00 0.00 O ATOM 891 CB GLN A 68 0.372 6.995 -1.193 1.00 0.03 C ATOM 892 CG GLN A 68 -0.993 7.384 -0.644 1.00 1.08 C ATOM 893 CD GLN A 68 -2.140 6.913 -1.517 1.00 1.66 C ATOM 894 OE1 GLN A 68 -3.217 6.592 -1.019 1.00 2.38 O ATOM 895 NE2 GLN A 68 -1.931 6.892 -2.822 1.00 2.32 N ATOM 0 H GLN A 68 2.684 6.371 -1.712 1.00 0.00 H new ATOM 0 HA GLN A 68 1.628 8.478 -0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.507 7.461 -2.169 1.00 0.03 H new ATOM 0 HB3 GLN A 68 0.397 5.916 -1.349 1.00 0.03 H new ATOM 0 HG2 GLN A 68 -1.109 6.965 0.356 1.00 1.08 H new ATOM 0 HG3 GLN A 68 -1.042 8.468 -0.543 1.00 1.08 H new ATOM 0 HE21 GLN A 68 -1.023 7.166 -3.198 1.00 2.32 H new ATOM 0 HE22 GLN A 68 -2.678 6.602 -3.453 1.00 2.32 H new ATOM 904 N GLN A 69 1.623 5.621 1.369 1.00 0.00 N ATOM 905 CA GLN A 69 1.408 5.014 2.683 1.00 0.00 C ATOM 906 C GLN A 69 2.560 5.102 3.662 1.00 0.00 C ATOM 907 O GLN A 69 2.438 4.635 4.798 1.00 0.00 O ATOM 908 CB GLN A 69 1.026 3.542 2.494 1.00 0.03 C ATOM 909 CG GLN A 69 -0.249 3.340 1.684 1.00 1.01 C ATOM 910 CD GLN A 69 -0.560 1.875 1.423 1.00 1.49 C ATOM 911 OE1 GLN A 69 -0.218 0.999 2.220 1.00 2.11 O ATOM 912 NE2 GLN A 69 -1.211 1.600 0.303 1.00 2.22 N ATOM 0 H GLN A 69 2.051 5.003 0.680 1.00 0.00 H new ATOM 0 HA GLN A 69 0.611 5.604 3.136 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.847 3.023 1.999 1.00 0.03 H new ATOM 0 HB3 GLN A 69 0.901 3.079 3.473 1.00 0.03 H new ATOM 0 HG2 GLN A 69 -1.086 3.795 2.214 1.00 1.01 H new ATOM 0 HG3 GLN A 69 -0.154 3.861 0.731 1.00 1.01 H new ATOM 0 HE21 GLN A 69 -1.477 2.354 -0.331 1.00 2.22 H new ATOM 0 HE22 GLN A 69 -1.447 0.634 0.074 1.00 2.22 H new ATOM 921 N SER A 70 3.665 5.695 3.225 1.00 0.00 N ATOM 922 CA SER A 70 4.876 5.844 4.042 1.00 0.00 C ATOM 923 C SER A 70 4.817 6.856 5.155 1.00 0.00 C ATOM 924 O SER A 70 5.679 6.868 6.045 1.00 0.00 O ATOM 925 CB SER A 70 6.063 6.164 3.130 1.00 0.02 C ATOM 926 OG SER A 70 7.281 6.211 3.859 1.00 1.27 O ATOM 0 H SER A 70 3.752 6.090 2.289 1.00 0.00 H new ATOM 0 HA SER A 70 4.985 4.885 4.549 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.135 5.409 2.347 1.00 0.02 H new ATOM 0 HB3 SER A 70 5.896 7.121 2.636 1.00 0.02 H new ATOM 0 HG SER A 70 7.090 6.381 4.805 1.00 1.27 H new ATOM 932 N GLY A 71 3.799 7.699 5.117 1.00 0.04 N ATOM 933 CA GLY A 71 3.650 8.735 6.111 1.00 0.08 C ATOM 934 C GLY A 71 2.664 9.789 5.665 1.00 0.99 C ATOM 935 O GLY A 71 3.052 10.852 5.181 1.00 1.78 O ATOM 0 H GLY A 71 3.067 7.682 4.407 1.00 0.04 H new ATOM 0 HA2 GLY A 71 3.314 8.295 7.050 1.00 0.08 H new ATOM 0 HA3 GLY A 71 4.618 9.198 6.304 1.00 0.08 H new ATOM 939 N THR A 72 1.386 9.488 5.803 1.00 1.70 N ATOM 940 CA THR A 72 0.340 10.397 5.379 1.00 2.54 C ATOM 941 C THR A 72 0.133 11.487 6.423 1.00 2.86 C ATOM 942 O THR A 72 -0.364 11.230 7.519 1.00 3.42 O ATOM 943 CB THR A 72 -0.982 9.642 5.143 1.00 3.53 C ATOM 944 OG1 THR A 72 -0.742 8.486 4.325 1.00 3.88 O ATOM 945 CG2 THR A 72 -2.012 10.537 4.471 1.00 4.27 C ATOM 0 H THR A 72 1.047 8.615 6.208 1.00 1.70 H new ATOM 0 HA THR A 72 0.650 10.855 4.440 1.00 2.54 H new ATOM 0 HB THR A 72 -1.375 9.333 6.112 1.00 3.53 H new ATOM 0 HG1 THR A 72 -0.090 8.708 3.628 1.00 3.88 H new ATOM 0 HG21 THR A 72 -2.935 9.978 4.317 1.00 4.27 H new ATOM 0 HG22 THR A 72 -2.213 11.401 5.105 1.00 4.27 H new ATOM 0 HG23 THR A 72 -1.628 10.875 3.509 1.00 4.27 H new ATOM 953 N ALA A 73 0.545 12.698 6.092 1.00 3.18 N ATOM 954 CA ALA A 73 0.389 13.822 6.994 1.00 4.02 C ATOM 955 C ALA A 73 -0.845 14.628 6.624 1.00 4.49 C ATOM 956 O ALA A 73 -0.766 15.608 5.881 1.00 5.04 O ATOM 957 CB ALA A 73 1.632 14.700 6.983 1.00 4.79 C ATOM 0 H ALA A 73 0.991 12.927 5.204 1.00 3.18 H new ATOM 0 HA ALA A 73 0.259 13.437 8.006 1.00 4.02 H new ATOM 0 HB1 ALA A 73 1.492 15.537 7.667 1.00 4.79 H new ATOM 0 HB2 ALA A 73 2.495 14.113 7.299 1.00 4.79 H new ATOM 0 HB3 ALA A 73 1.801 15.079 5.975 1.00 4.79 H new ATOM 963 N ALA A 74 -1.990 14.191 7.122 1.00 4.74 N ATOM 964 CA ALA A 74 -3.247 14.866 6.850 1.00 5.57 C ATOM 965 C ALA A 74 -4.010 15.105 8.143 1.00 5.97 C ATOM 966 O ALA A 74 -4.912 14.344 8.495 1.00 6.51 O ATOM 967 CB ALA A 74 -4.089 14.064 5.867 1.00 6.11 C ATOM 0 H ALA A 74 -2.074 13.368 7.719 1.00 4.74 H new ATOM 0 HA ALA A 74 -3.028 15.832 6.396 1.00 5.57 H new ATOM 0 HB1 ALA A 74 -5.026 14.588 5.678 1.00 6.11 H new ATOM 0 HB2 ALA A 74 -3.543 13.947 4.931 1.00 6.11 H new ATOM 0 HB3 ALA A 74 -4.302 13.081 6.288 1.00 6.11 H new ATOM 973 N ASP A 75 -3.624 16.148 8.859 1.00 6.06 N ATOM 974 CA ASP A 75 -4.248 16.466 10.134 1.00 6.75 C ATOM 975 C ASP A 75 -5.398 17.437 9.930 1.00 6.91 C ATOM 976 O ASP A 75 -5.189 18.630 9.693 1.00 7.29 O ATOM 977 CB ASP A 75 -3.226 17.055 11.107 1.00 7.31 C ATOM 978 CG ASP A 75 -3.827 17.372 12.460 1.00 8.10 C ATOM 979 OD1 ASP A 75 -4.408 16.462 13.091 1.00 8.52 O1- ATOM 980 OD2 ASP A 75 -3.742 18.539 12.892 1.00 8.52 O ATOM 0 H ASP A 75 -2.882 16.789 8.580 1.00 6.06 H new ATOM 0 HA ASP A 75 -4.638 15.543 10.563 1.00 6.75 H new ATOM 0 HB2 ASP A 75 -2.404 16.351 11.235 1.00 7.31 H new ATOM 0 HB3 ASP A 75 -2.804 17.964 10.679 1.00 7.31 H new ATOM 985 N GLU A 76 -6.610 16.916 9.991 1.00 6.88 N ATOM 986 CA GLU A 76 -7.801 17.719 9.786 1.00 7.22 C ATOM 987 C GLU A 76 -8.581 17.831 11.088 1.00 7.26 C ATOM 988 O GLU A 76 -9.162 16.847 11.547 1.00 7.31 O ATOM 989 CB GLU A 76 -8.673 17.087 8.700 1.00 7.68 C ATOM 990 CG GLU A 76 -7.935 16.857 7.393 1.00 8.14 C ATOM 991 CD GLU A 76 -8.757 16.081 6.391 1.00 8.88 C ATOM 992 OE1 GLU A 76 -8.788 14.836 6.480 1.00 9.24 O ATOM 993 OE2 GLU A 76 -9.375 16.707 5.507 1.00 9.28 O1- ATOM 0 H GLU A 76 -6.796 15.932 10.183 1.00 6.88 H new ATOM 0 HA GLU A 76 -7.508 18.719 9.465 1.00 7.22 H new ATOM 0 HB2 GLU A 76 -9.059 16.135 9.063 1.00 7.68 H new ATOM 0 HB3 GLU A 76 -9.533 17.730 8.515 1.00 7.68 H new ATOM 0 HG2 GLU A 76 -7.657 17.819 6.962 1.00 8.14 H new ATOM 0 HG3 GLU A 76 -7.009 16.318 7.593 1.00 8.14 H new ATOM 1000 N PRO A 77 -8.579 19.023 11.709 1.00 7.55 N ATOM 1001 CA PRO A 77 -9.265 19.260 12.984 1.00 7.91 C ATOM 1002 C PRO A 77 -10.754 18.936 12.910 1.00 8.21 C ATOM 1003 O PRO A 77 -11.569 19.761 12.490 1.00 8.55 O ATOM 1004 CB PRO A 77 -9.047 20.752 13.250 1.00 8.46 C ATOM 1005 CG PRO A 77 -7.855 21.117 12.434 1.00 8.35 C ATOM 1006 CD PRO A 77 -7.900 20.234 11.219 1.00 7.88 C ATOM 0 HA PRO A 77 -8.875 18.621 13.776 1.00 7.91 H new ATOM 0 HB2 PRO A 77 -9.919 21.337 12.958 1.00 8.46 H new ATOM 0 HB3 PRO A 77 -8.874 20.943 14.309 1.00 8.46 H new ATOM 0 HG2 PRO A 77 -7.882 22.170 12.153 1.00 8.35 H new ATOM 0 HG3 PRO A 77 -6.934 20.961 12.996 1.00 8.35 H new ATOM 0 HD2 PRO A 77 -8.450 20.701 10.402 1.00 7.88 H new ATOM 0 HD3 PRO A 77 -6.900 20.012 10.845 1.00 7.88 H new ATOM 1014 N SER A 78 -11.091 17.720 13.300 1.00 8.33 N ATOM 1015 CA SER A 78 -12.464 17.255 13.290 1.00 8.82 C ATOM 1016 C SER A 78 -12.913 16.962 14.715 1.00 8.91 C ATOM 1017 O SER A 78 -14.092 17.073 15.050 1.00 9.14 O ATOM 1018 CB SER A 78 -12.577 16.001 12.423 1.00 9.31 C ATOM 1019 OG SER A 78 -11.918 16.184 11.180 1.00 9.45 O ATOM 0 H SER A 78 -10.420 17.028 13.632 1.00 8.33 H new ATOM 0 HA SER A 78 -13.109 18.027 12.871 1.00 8.82 H new ATOM 0 HB2 SER A 78 -12.142 15.151 12.948 1.00 9.31 H new ATOM 0 HB3 SER A 78 -13.627 15.766 12.251 1.00 9.31 H new ATOM 0 HG SER A 78 -10.955 16.285 11.332 1.00 9.45 H new ATOM 1025 N SER A 79 -11.952 16.594 15.552 1.00 8.98 N ATOM 1026 CA SER A 79 -12.204 16.380 16.962 1.00 9.32 C ATOM 1027 C SER A 79 -11.694 17.571 17.759 1.00 9.57 C ATOM 1028 O SER A 79 -10.503 17.886 17.732 1.00 9.83 O ATOM 1029 CB SER A 79 -11.514 15.100 17.436 1.00 9.60 C ATOM 1030 OG SER A 79 -12.002 13.963 16.739 1.00 9.64 O ATOM 0 H SER A 79 -10.984 16.438 15.271 1.00 8.98 H new ATOM 0 HA SER A 79 -13.278 16.275 17.118 1.00 9.32 H new ATOM 0 HB2 SER A 79 -10.438 15.187 17.286 1.00 9.60 H new ATOM 0 HB3 SER A 79 -11.677 14.971 18.506 1.00 9.60 H new ATOM 0 HG SER A 79 -11.542 13.160 17.061 1.00 9.64 H new ATOM 1036 N LEU A 80 -12.598 18.248 18.445 1.00 9.72 N ATOM 1037 CA LEU A 80 -12.233 19.407 19.239 1.00 10.17 C ATOM 1038 C LEU A 80 -11.684 18.970 20.588 1.00 10.43 C ATOM 1039 O LEU A 80 -12.212 18.049 21.217 1.00 10.67 O ATOM 1040 CB LEU A 80 -13.431 20.342 19.428 1.00 10.69 C ATOM 1041 CG LEU A 80 -13.794 21.217 18.222 1.00 10.94 C ATOM 1042 CD1 LEU A 80 -14.336 20.383 17.070 1.00 11.05 C ATOM 1043 CD2 LEU A 80 -14.801 22.277 18.634 1.00 11.55 C ATOM 0 H LEU A 80 -13.591 18.015 18.468 1.00 9.72 H new ATOM 0 HA LEU A 80 -11.457 19.955 18.704 1.00 10.17 H new ATOM 0 HB2 LEU A 80 -14.300 19.739 19.690 1.00 10.69 H new ATOM 0 HB3 LEU A 80 -13.228 20.994 20.278 1.00 10.69 H new ATOM 0 HG LEU A 80 -12.885 21.706 17.872 1.00 10.94 H new ATOM 0 HD11 LEU A 80 -14.583 21.036 16.233 1.00 11.05 H new ATOM 0 HD12 LEU A 80 -13.582 19.661 16.757 1.00 11.05 H new ATOM 0 HD13 LEU A 80 -15.232 19.854 17.394 1.00 11.05 H new ATOM 0 HD21 LEU A 80 -15.053 22.894 17.772 1.00 11.55 H new ATOM 0 HD22 LEU A 80 -15.703 21.795 19.012 1.00 11.55 H new ATOM 0 HD23 LEU A 80 -14.371 22.904 19.415 1.00 11.55 H new TER 1055 LEU A 80 ATOM 1056 N ALA B 57 12.775 -13.609 -1.067 1.00 4.58 N ATOM 1057 CA ALA B 57 13.730 -12.533 -1.290 1.00 4.03 C ATOM 1058 C ALA B 57 13.723 -11.560 -0.117 1.00 3.47 C ATOM 1059 O ALA B 57 12.681 -11.002 0.234 1.00 3.63 O ATOM 1060 CB ALA B 57 13.419 -11.811 -2.592 1.00 4.36 C ATOM 0 HA ALA B 57 14.728 -12.965 -1.367 1.00 4.03 H new ATOM 0 HB1 ALA B 57 14.141 -11.009 -2.745 1.00 4.36 H new ATOM 0 HB2 ALA B 57 13.478 -12.515 -3.422 1.00 4.36 H new ATOM 0 HB3 ALA B 57 12.415 -11.390 -2.544 1.00 4.36 H new ATOM 1066 N SER B 58 14.884 -11.370 0.490 1.00 3.11 N ATOM 1067 CA SER B 58 14.998 -10.548 1.685 1.00 2.86 C ATOM 1068 C SER B 58 15.198 -9.078 1.326 1.00 2.31 C ATOM 1069 O SER B 58 15.892 -8.753 0.359 1.00 2.12 O ATOM 1070 CB SER B 58 16.165 -11.040 2.536 1.00 3.13 C ATOM 1071 OG SER B 58 16.091 -12.442 2.740 1.00 3.70 O ATOM 0 H SER B 58 15.765 -11.776 0.173 1.00 3.11 H new ATOM 0 HA SER B 58 14.070 -10.634 2.251 1.00 2.86 H new ATOM 0 HB2 SER B 58 17.107 -10.789 2.048 1.00 3.13 H new ATOM 0 HB3 SER B 58 16.159 -10.528 3.498 1.00 3.13 H new ATOM 0 HG SER B 58 16.850 -12.734 3.287 1.00 3.70 H new ATOM 1077 N GLU B 59 14.603 -8.193 2.114 1.00 2.30 N ATOM 1078 CA GLU B 59 14.722 -6.764 1.876 1.00 2.03 C ATOM 1079 C GLU B 59 16.026 -6.241 2.464 1.00 1.55 C ATOM 1080 O GLU B 59 16.477 -5.148 2.119 1.00 1.37 O ATOM 1081 CB GLU B 59 13.525 -5.991 2.455 1.00 2.53 C ATOM 1082 CG GLU B 59 13.457 -5.962 3.977 1.00 3.15 C ATOM 1083 CD GLU B 59 13.143 -7.312 4.584 1.00 3.76 C ATOM 1084 OE1 GLU B 59 14.083 -8.100 4.805 1.00 3.97 O1- ATOM 1085 OE2 GLU B 59 11.954 -7.593 4.837 1.00 4.42 O ATOM 0 H GLU B 59 14.033 -8.441 2.923 1.00 2.30 H new ATOM 0 HA GLU B 59 14.727 -6.604 0.798 1.00 2.03 H new ATOM 0 HB2 GLU B 59 13.561 -4.965 2.088 1.00 2.53 H new ATOM 0 HB3 GLU B 59 12.605 -6.434 2.073 1.00 2.53 H new ATOM 0 HG2 GLU B 59 14.409 -5.606 4.370 1.00 3.15 H new ATOM 0 HG3 GLU B 59 12.696 -5.245 4.287 1.00 3.15 H new ATOM 1092 N ASP B 60 16.634 -7.029 3.349 1.00 1.56 N ATOM 1093 CA ASP B 60 17.914 -6.651 3.943 1.00 1.43 C ATOM 1094 C ASP B 60 18.997 -6.571 2.874 1.00 1.37 C ATOM 1095 O ASP B 60 19.905 -5.741 2.965 1.00 1.58 O ATOM 1096 CB ASP B 60 18.331 -7.613 5.073 1.00 1.70 C ATOM 1097 CG ASP B 60 18.537 -9.050 4.626 1.00 2.27 C ATOM 1098 OD1 ASP B 60 19.523 -9.316 3.906 1.00 2.93 O1- ATOM 1099 OD2 ASP B 60 17.699 -9.913 4.956 1.00 2.59 O ATOM 0 H ASP B 60 16.265 -7.925 3.668 1.00 1.56 H new ATOM 0 HA ASP B 60 17.789 -5.664 4.389 1.00 1.43 H new ATOM 0 HB2 ASP B 60 19.255 -7.249 5.522 1.00 1.70 H new ATOM 0 HB3 ASP B 60 17.568 -7.593 5.852 1.00 1.70 H new ATOM 1104 N GLU B 61 18.875 -7.400 1.838 1.00 1.48 N ATOM 1105 CA GLU B 61 19.827 -7.379 0.736 1.00 1.71 C ATOM 1106 C GLU B 61 19.672 -6.073 -0.017 1.00 1.43 C ATOM 1107 O GLU B 61 20.652 -5.407 -0.359 1.00 1.58 O ATOM 1108 CB GLU B 61 19.587 -8.549 -0.219 1.00 2.15 C ATOM 1109 CG GLU B 61 19.795 -9.913 0.409 1.00 2.66 C ATOM 1110 CD GLU B 61 19.566 -11.041 -0.574 1.00 3.02 C ATOM 1111 OE1 GLU B 61 18.400 -11.448 -0.760 1.00 3.28 O ATOM 1112 OE2 GLU B 61 20.552 -11.522 -1.170 1.00 3.30 O1- ATOM 0 H GLU B 61 18.130 -8.090 1.742 1.00 1.48 H new ATOM 0 HA GLU B 61 20.836 -7.470 1.139 1.00 1.71 H new ATOM 0 HB2 GLU B 61 18.568 -8.489 -0.602 1.00 2.15 H new ATOM 0 HB3 GLU B 61 20.255 -8.449 -1.074 1.00 2.15 H new ATOM 0 HG2 GLU B 61 20.809 -9.978 0.803 1.00 2.66 H new ATOM 0 HG3 GLU B 61 19.117 -10.028 1.255 1.00 2.66 H new ATOM 1119 N LEU B 62 18.417 -5.725 -0.249 1.00 1.21 N ATOM 1120 CA LEU B 62 18.054 -4.492 -0.917 1.00 0.95 C ATOM 1121 C LEU B 62 18.570 -3.293 -0.154 1.00 0.74 C ATOM 1122 O LEU B 62 19.375 -2.525 -0.667 1.00 0.64 O ATOM 1123 CB LEU B 62 16.538 -4.400 -1.025 1.00 1.14 C ATOM 1124 CG LEU B 62 15.889 -5.488 -1.863 1.00 1.51 C ATOM 1125 CD1 LEU B 62 14.418 -5.601 -1.515 1.00 2.00 C ATOM 1126 CD2 LEU B 62 16.077 -5.187 -3.340 1.00 1.58 C ATOM 0 H LEU B 62 17.618 -6.296 0.024 1.00 1.21 H new ATOM 0 HA LEU B 62 18.502 -4.494 -1.911 1.00 0.95 H new ATOM 0 HB2 LEU B 62 16.114 -4.433 -0.021 1.00 1.14 H new ATOM 0 HB3 LEU B 62 16.277 -3.431 -1.449 1.00 1.14 H new ATOM 0 HG LEU B 62 16.366 -6.444 -1.646 1.00 1.51 H new ATOM 0 HD11 LEU B 62 13.960 -6.383 -2.120 1.00 2.00 H new ATOM 0 HD12 LEU B 62 14.312 -5.850 -0.459 1.00 2.00 H new ATOM 0 HD13 LEU B 62 13.923 -4.651 -1.715 1.00 2.00 H new ATOM 0 HD21 LEU B 62 15.609 -5.972 -3.934 1.00 1.58 H new ATOM 0 HD22 LEU B 62 15.616 -4.228 -3.578 1.00 1.58 H new ATOM 0 HD23 LEU B 62 17.142 -5.144 -3.570 1.00 1.58 H new ATOM 1138 N VAL B 63 18.114 -3.155 1.082 1.00 0.79 N ATOM 1139 CA VAL B 63 18.428 -1.987 1.878 1.00 0.74 C ATOM 1140 C VAL B 63 19.940 -1.807 2.006 1.00 0.69 C ATOM 1141 O VAL B 63 20.470 -0.739 1.700 1.00 0.64 O ATOM 1142 CB VAL B 63 17.750 -2.048 3.274 1.00 0.90 C ATOM 1143 CG1 VAL B 63 18.410 -3.063 4.206 1.00 1.47 C ATOM 1144 CG2 VAL B 63 17.700 -0.665 3.901 1.00 0.82 C ATOM 0 H VAL B 63 17.524 -3.841 1.553 1.00 0.79 H new ATOM 0 HA VAL B 63 18.026 -1.116 1.360 1.00 0.74 H new ATOM 0 HB VAL B 63 16.728 -2.397 3.123 1.00 0.90 H new ATOM 0 HG11 VAL B 63 17.895 -3.063 5.167 1.00 1.47 H new ATOM 0 HG12 VAL B 63 18.350 -4.057 3.762 1.00 1.47 H new ATOM 0 HG13 VAL B 63 19.456 -2.794 4.355 1.00 1.47 H new ATOM 0 HG21 VAL B 63 17.222 -0.726 4.879 1.00 0.82 H new ATOM 0 HG22 VAL B 63 18.714 -0.281 4.016 1.00 0.82 H new ATOM 0 HG23 VAL B 63 17.129 0.005 3.259 1.00 0.82 H new ATOM 1154 N ALA B 64 20.638 -2.868 2.381 1.00 0.78 N ATOM 1155 CA ALA B 64 22.062 -2.783 2.618 1.00 0.85 C ATOM 1156 C ALA B 64 22.803 -2.417 1.341 1.00 0.74 C ATOM 1157 O ALA B 64 23.618 -1.496 1.335 1.00 0.78 O ATOM 1158 CB ALA B 64 22.563 -4.084 3.205 1.00 1.04 C ATOM 0 H ALA B 64 20.238 -3.795 2.526 1.00 0.78 H new ATOM 0 HA ALA B 64 22.257 -1.989 3.339 1.00 0.85 H new ATOM 0 HB1 ALA B 64 23.636 -4.014 3.381 1.00 1.04 H new ATOM 0 HB2 ALA B 64 22.052 -4.278 4.148 1.00 1.04 H new ATOM 0 HB3 ALA B 64 22.362 -4.898 2.509 1.00 1.04 H new ATOM 1164 N GLU B 65 22.487 -3.107 0.249 1.00 0.70 N ATOM 1165 CA GLU B 65 23.102 -2.813 -1.039 1.00 0.70 C ATOM 1166 C GLU B 65 22.809 -1.368 -1.439 1.00 0.63 C ATOM 1167 O GLU B 65 23.669 -0.671 -1.971 1.00 0.71 O ATOM 1168 CB GLU B 65 22.577 -3.781 -2.102 1.00 0.78 C ATOM 1169 CG GLU B 65 23.284 -3.678 -3.441 1.00 1.08 C ATOM 1170 CD GLU B 65 22.826 -4.742 -4.414 1.00 1.35 C ATOM 1171 OE1 GLU B 65 21.645 -4.717 -4.816 1.00 1.73 O1- ATOM 1172 OE2 GLU B 65 23.644 -5.613 -4.782 1.00 1.54 O ATOM 0 H GLU B 65 21.811 -3.871 0.231 1.00 0.70 H new ATOM 0 HA GLU B 65 24.182 -2.939 -0.957 1.00 0.70 H new ATOM 0 HB2 GLU B 65 22.676 -4.801 -1.729 1.00 0.78 H new ATOM 0 HB3 GLU B 65 21.513 -3.597 -2.251 1.00 0.78 H new ATOM 0 HG2 GLU B 65 23.102 -2.693 -3.871 1.00 1.08 H new ATOM 0 HG3 GLU B 65 24.360 -3.766 -3.289 1.00 1.08 H new ATOM 1179 N PHE B 66 21.593 -0.931 -1.134 1.00 0.53 N ATOM 1180 CA PHE B 66 21.124 0.412 -1.449 1.00 0.49 C ATOM 1181 C PHE B 66 22.019 1.491 -0.835 1.00 0.60 C ATOM 1182 O PHE B 66 22.761 2.171 -1.552 1.00 0.71 O ATOM 1183 CB PHE B 66 19.677 0.559 -0.963 1.00 0.37 C ATOM 1184 CG PHE B 66 19.093 1.933 -1.101 1.00 0.33 C ATOM 1185 CD1 PHE B 66 18.597 2.357 -2.316 1.00 0.37 C ATOM 1186 CD2 PHE B 66 19.065 2.807 -0.032 1.00 0.37 C ATOM 1187 CE1 PHE B 66 18.078 3.617 -2.465 1.00 0.41 C ATOM 1188 CE2 PHE B 66 18.552 4.077 -0.172 1.00 0.42 C ATOM 1189 CZ PHE B 66 17.973 4.455 -1.323 1.00 0.41 C ATOM 0 H PHE B 66 20.898 -1.505 -0.656 1.00 0.53 H new ATOM 0 HA PHE B 66 21.167 0.552 -2.529 1.00 0.49 H new ATOM 0 HB2 PHE B 66 19.052 -0.141 -1.517 1.00 0.37 H new ATOM 0 HB3 PHE B 66 19.632 0.266 0.086 1.00 0.37 H new ATOM 0 HD1 PHE B 66 18.618 1.687 -3.162 1.00 0.37 H new ATOM 0 HD2 PHE B 66 19.450 2.490 0.926 1.00 0.37 H new ATOM 0 HE1 PHE B 66 17.754 3.967 -3.434 1.00 0.41 H new ATOM 0 HE2 PHE B 66 18.616 4.774 0.650 1.00 0.42 H new ATOM 0 HZ PHE B 66 17.432 5.388 -1.380 1.00 0.41 H new ATOM 1199 N LEU B 67 21.969 1.645 0.488 1.00 0.64 N ATOM 1200 CA LEU B 67 22.697 2.745 1.123 1.00 0.76 C ATOM 1201 C LEU B 67 24.204 2.512 1.164 1.00 0.87 C ATOM 1202 O LEU B 67 24.962 3.465 1.319 1.00 1.01 O ATOM 1203 CB LEU B 67 22.163 3.156 2.514 1.00 0.83 C ATOM 1204 CG LEU B 67 21.548 2.087 3.418 1.00 1.20 C ATOM 1205 CD1 LEU B 67 20.129 1.786 2.968 1.00 1.70 C ATOM 1206 CD2 LEU B 67 22.399 0.826 3.469 1.00 1.45 C ATOM 0 H LEU B 67 21.449 1.042 1.126 1.00 0.64 H new ATOM 0 HA LEU B 67 22.504 3.594 0.467 1.00 0.76 H new ATOM 0 HB2 LEU B 67 22.987 3.614 3.060 1.00 0.83 H new ATOM 0 HB3 LEU B 67 21.411 3.931 2.362 1.00 0.83 H new ATOM 0 HG LEU B 67 21.516 2.477 4.435 1.00 1.20 H new ATOM 0 HD11 LEU B 67 19.696 1.024 3.616 1.00 1.70 H new ATOM 0 HD12 LEU B 67 19.529 2.694 3.025 1.00 1.70 H new ATOM 0 HD13 LEU B 67 20.142 1.424 1.940 1.00 1.70 H new ATOM 0 HD21 LEU B 67 21.925 0.093 4.122 1.00 1.45 H new ATOM 0 HD22 LEU B 67 22.494 0.410 2.466 1.00 1.45 H new ATOM 0 HD23 LEU B 67 23.389 1.070 3.855 1.00 1.45 H new ATOM 1218 N GLN B 68 24.654 1.264 1.062 1.00 0.87 N ATOM 1219 CA GLN B 68 26.088 1.013 0.964 1.00 1.00 C ATOM 1220 C GLN B 68 26.617 1.493 -0.383 1.00 1.06 C ATOM 1221 O GLN B 68 27.672 2.126 -0.455 1.00 1.23 O ATOM 1222 CB GLN B 68 26.425 -0.463 1.159 1.00 1.03 C ATOM 1223 CG GLN B 68 26.317 -0.935 2.599 1.00 1.31 C ATOM 1224 CD GLN B 68 26.845 -2.342 2.775 1.00 1.46 C ATOM 1225 OE1 GLN B 68 26.107 -3.320 2.648 1.00 1.94 O ATOM 1226 NE2 GLN B 68 28.133 -2.456 3.058 1.00 1.86 N ATOM 0 H GLN B 68 24.065 0.432 1.045 1.00 0.87 H new ATOM 0 HA GLN B 68 26.571 1.572 1.765 1.00 1.00 H new ATOM 0 HB2 GLN B 68 25.758 -1.063 0.540 1.00 1.03 H new ATOM 0 HB3 GLN B 68 27.439 -0.644 0.803 1.00 1.03 H new ATOM 0 HG2 GLN B 68 26.872 -0.256 3.246 1.00 1.31 H new ATOM 0 HG3 GLN B 68 25.275 -0.896 2.916 1.00 1.31 H new ATOM 0 HE21 GLN B 68 28.710 -1.620 3.155 1.00 1.86 H new ATOM 0 HE22 GLN B 68 28.549 -3.380 3.179 1.00 1.86 H new ATOM 1235 N ASP B 69 25.873 1.209 -1.448 1.00 1.01 N ATOM 1236 CA ASP B 69 26.243 1.667 -2.782 1.00 1.19 C ATOM 1237 C ASP B 69 26.198 3.187 -2.852 1.00 1.35 C ATOM 1238 O ASP B 69 27.069 3.823 -3.445 1.00 1.63 O ATOM 1239 CB ASP B 69 25.309 1.067 -3.834 1.00 1.31 C ATOM 1240 CG ASP B 69 25.597 1.579 -5.230 1.00 1.74 C ATOM 1241 OD1 ASP B 69 26.615 1.168 -5.819 1.00 1.82 O ATOM 1242 OD2 ASP B 69 24.807 2.399 -5.739 1.00 2.33 O1- ATOM 0 H ASP B 69 25.011 0.664 -1.413 1.00 1.01 H new ATOM 0 HA ASP B 69 27.260 1.335 -2.988 1.00 1.19 H new ATOM 0 HB2 ASP B 69 25.405 -0.019 -3.822 1.00 1.31 H new ATOM 0 HB3 ASP B 69 24.277 1.299 -3.572 1.00 1.31 H new ATOM 1247 N GLN B 70 25.187 3.769 -2.219 1.00 1.32 N ATOM 1248 CA GLN B 70 25.032 5.219 -2.197 1.00 1.64 C ATOM 1249 C GLN B 70 25.889 5.863 -1.112 1.00 2.00 C ATOM 1250 O GLN B 70 25.802 7.068 -0.876 1.00 2.48 O ATOM 1251 CB GLN B 70 23.566 5.590 -1.996 1.00 1.73 C ATOM 1252 CG GLN B 70 22.699 5.256 -3.193 1.00 2.25 C ATOM 1253 CD GLN B 70 23.163 5.961 -4.452 1.00 2.84 C ATOM 1254 OE1 GLN B 70 23.975 5.436 -5.212 1.00 3.22 O ATOM 1255 NE2 GLN B 70 22.657 7.160 -4.676 1.00 3.57 N ATOM 0 H GLN B 70 24.462 3.260 -1.714 1.00 1.32 H new ATOM 0 HA GLN B 70 25.372 5.601 -3.159 1.00 1.64 H new ATOM 0 HB2 GLN B 70 23.182 5.068 -1.120 1.00 1.73 H new ATOM 0 HB3 GLN B 70 23.493 6.658 -1.788 1.00 1.73 H new ATOM 0 HG2 GLN B 70 22.709 4.179 -3.357 1.00 2.25 H new ATOM 0 HG3 GLN B 70 21.667 5.536 -2.981 1.00 2.25 H new ATOM 0 HE21 GLN B 70 21.986 7.561 -4.021 1.00 3.57 H new ATOM 0 HE22 GLN B 70 22.938 7.685 -5.504 1.00 3.57 H new ATOM 1264 N ASN B 71 26.718 5.065 -0.459 1.00 2.07 N ATOM 1265 CA ASN B 71 27.622 5.582 0.558 1.00 2.66 C ATOM 1266 C ASN B 71 28.950 5.964 -0.079 1.00 2.83 C ATOM 1267 O ASN B 71 29.729 6.731 0.487 1.00 3.47 O ATOM 1268 CB ASN B 71 27.836 4.539 1.661 1.00 3.15 C ATOM 1269 CG ASN B 71 28.724 5.034 2.787 1.00 3.80 C ATOM 1270 OD1 ASN B 71 28.258 5.687 3.721 1.00 4.30 O ATOM 1271 ND2 ASN B 71 30.003 4.696 2.727 1.00 4.26 N ATOM 0 H ASN B 71 26.785 4.059 -0.614 1.00 2.07 H new ATOM 0 HA ASN B 71 27.179 6.470 1.008 1.00 2.66 H new ATOM 0 HB2 ASN B 71 26.868 4.249 2.071 1.00 3.15 H new ATOM 0 HB3 ASN B 71 28.279 3.644 1.225 1.00 3.15 H new ATOM 0 HD21 ASN B 71 30.640 4.978 3.472 1.00 4.26 H new ATOM 0 HD22 ASN B 71 30.351 4.154 1.936 1.00 4.26 H new TER 1278 ASN B 71