USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 566 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 22 THR OG1 : rot -64:sc= -2.3! USER MOD Set 1.2: A 56 MET CE :methyl 154:sc= -2.75! (180deg=-3.76!) USER MOD Set 2.1: A 7 THR OG1 : rot -120:sc= -0.148 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= -0.339 USER MOD Set 2.3: A 69 MET CE :methyl -115:sc= 0 (180deg=-0.77) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.019) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 24:sc= 0.561! USER MOD Single : A 17 THR OG1 : rot -86:sc= -2.81 USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 1.53 (180deg=0.886) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00401) USER MOD Single : A 40 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.016) USER MOD Single : A 41 GLN : amide:sc= -2.26 X(o=-2.3,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= -0.0677 (180deg=-0.41) USER MOD Single : A 49 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.1) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -160:sc= 0.128 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= -0.18 (180deg=-0.634) USER MOD Single : A 65 SER OG : rot 170:sc= -0.332 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 2.173 -2.795 -1.213 1.00 24.14 N ATOM 19 CA GLN A 2 2.749 -4.119 -1.416 1.00 74.35 C ATOM 20 C GLN A 2 2.507 -4.604 -2.842 1.00 44.03 C ATOM 21 O GLN A 2 1.506 -4.252 -3.467 1.00 3.53 O ATOM 22 CB GLN A 2 2.155 -5.116 -0.419 1.00 52.41 C ATOM 23 CG GLN A 2 0.693 -5.441 -0.681 1.00 63.15 C ATOM 24 CD GLN A 2 0.078 -6.286 0.416 1.00 35.31 C ATOM 25 OE1 GLN A 2 0.760 -6.699 1.355 1.00 52.15 O ATOM 26 NE2 GLN A 2 -1.219 -6.549 0.305 1.00 54.35 N ATOM 0 HA GLN A 2 3.824 -4.049 -1.252 1.00 74.35 H new ATOM 0 HB2 GLN A 2 2.735 -6.038 -0.451 1.00 52.41 H new ATOM 0 HB3 GLN A 2 2.254 -4.712 0.589 1.00 52.41 H new ATOM 0 HG2 GLN A 2 0.130 -4.513 -0.778 1.00 63.15 H new ATOM 0 HG3 GLN A 2 0.606 -5.967 -1.632 1.00 63.15 H new ATOM 0 HE21 GLN A 2 -1.747 -6.187 -0.489 1.00 54.35 H new ATOM 0 HE22 GLN A 2 -1.688 -7.113 1.014 1.00 54.35 H new ATOM 35 N ILE A 3 3.430 -5.413 -3.351 1.00 45.00 N ATOM 36 CA ILE A 3 3.317 -5.946 -4.703 1.00 20.12 C ATOM 37 C ILE A 3 3.159 -7.463 -4.684 1.00 54.32 C ATOM 38 O ILE A 3 3.320 -8.102 -3.644 1.00 41.23 O ATOM 39 CB ILE A 3 4.545 -5.580 -5.557 1.00 70.03 C ATOM 40 CG1 ILE A 3 5.800 -6.256 -5.002 1.00 21.13 C ATOM 41 CG2 ILE A 3 4.727 -4.070 -5.604 1.00 74.20 C ATOM 42 CD1 ILE A 3 7.050 -5.959 -5.800 1.00 61.11 C ATOM 0 H ILE A 3 4.264 -5.714 -2.847 1.00 45.00 H new ATOM 0 HA ILE A 3 2.429 -5.496 -5.147 1.00 20.12 H new ATOM 0 HB ILE A 3 4.382 -5.939 -6.573 1.00 70.03 H new ATOM 0 HG12 ILE A 3 5.951 -5.933 -3.972 1.00 21.13 H new ATOM 0 HG13 ILE A 3 5.642 -7.334 -4.978 1.00 21.13 H new ATOM 0 HG21 ILE A 3 5.599 -3.827 -6.211 1.00 74.20 H new ATOM 0 HG22 ILE A 3 3.841 -3.610 -6.041 1.00 74.20 H new ATOM 0 HG23 ILE A 3 4.872 -3.689 -4.593 1.00 74.20 H new ATOM 0 HD11 ILE A 3 7.900 -6.471 -5.349 1.00 61.11 H new ATOM 0 HD12 ILE A 3 6.919 -6.307 -6.825 1.00 61.11 H new ATOM 0 HD13 ILE A 3 7.233 -4.885 -5.803 1.00 61.11 H new ATOM 54 N PHE A 4 2.843 -8.033 -5.842 1.00 61.41 N ATOM 55 CA PHE A 4 2.664 -9.476 -5.960 1.00 14.24 C ATOM 56 C PHE A 4 3.824 -10.108 -6.722 1.00 43.12 C ATOM 57 O PHE A 4 4.204 -9.639 -7.795 1.00 44.24 O ATOM 58 CB PHE A 4 1.343 -9.791 -6.665 1.00 41.13 C ATOM 59 CG PHE A 4 0.164 -9.842 -5.736 1.00 41.21 C ATOM 60 CD1 PHE A 4 -0.739 -10.891 -5.798 1.00 51.43 C ATOM 61 CD2 PHE A 4 -0.041 -8.840 -4.801 1.00 32.32 C ATOM 62 CE1 PHE A 4 -1.825 -10.941 -4.944 1.00 41.45 C ATOM 63 CE2 PHE A 4 -1.125 -8.885 -3.944 1.00 61.22 C ATOM 64 CZ PHE A 4 -2.018 -9.936 -4.017 1.00 15.11 C ATOM 0 H PHE A 4 2.706 -7.518 -6.712 1.00 61.41 H new ATOM 0 HA PHE A 4 2.641 -9.897 -4.955 1.00 14.24 H new ATOM 0 HB2 PHE A 4 1.160 -9.036 -7.430 1.00 41.13 H new ATOM 0 HB3 PHE A 4 1.433 -10.749 -7.177 1.00 41.13 H new ATOM 0 HD1 PHE A 4 -0.593 -11.679 -6.522 1.00 51.43 H new ATOM 0 HD2 PHE A 4 0.653 -8.015 -4.741 1.00 32.32 H new ATOM 0 HE1 PHE A 4 -2.521 -11.765 -5.002 1.00 41.45 H new ATOM 0 HE2 PHE A 4 -1.273 -8.099 -3.218 1.00 61.22 H new ATOM 0 HZ PHE A 4 -2.866 -9.972 -3.350 1.00 15.11 H new ATOM 74 N ILE A 5 4.383 -11.174 -6.160 1.00 31.22 N ATOM 75 CA ILE A 5 5.499 -11.871 -6.786 1.00 45.02 C ATOM 76 C ILE A 5 5.175 -13.345 -7.005 1.00 13.20 C ATOM 77 O ILE A 5 4.570 -13.992 -6.150 1.00 72.43 O ATOM 78 CB ILE A 5 6.780 -11.760 -5.938 1.00 0.51 C ATOM 79 CG1 ILE A 5 7.101 -10.291 -5.650 1.00 62.43 C ATOM 80 CG2 ILE A 5 7.945 -12.433 -6.647 1.00 23.32 C ATOM 81 CD1 ILE A 5 6.644 -9.829 -4.285 1.00 33.13 C ATOM 0 H ILE A 5 4.081 -11.574 -5.272 1.00 31.22 H new ATOM 0 HA ILE A 5 5.668 -11.391 -7.750 1.00 45.02 H new ATOM 0 HB ILE A 5 6.615 -12.270 -4.989 1.00 0.51 H new ATOM 0 HG12 ILE A 5 8.177 -10.139 -5.734 1.00 62.43 H new ATOM 0 HG13 ILE A 5 6.631 -9.669 -6.411 1.00 62.43 H new ATOM 0 HG21 ILE A 5 8.843 -12.346 -6.035 1.00 23.32 H new ATOM 0 HG22 ILE A 5 7.715 -13.487 -6.806 1.00 23.32 H new ATOM 0 HG23 ILE A 5 8.114 -11.950 -7.609 1.00 23.32 H new ATOM 0 HD11 ILE A 5 6.904 -8.779 -4.150 1.00 33.13 H new ATOM 0 HD12 ILE A 5 5.564 -9.948 -4.203 1.00 33.13 H new ATOM 0 HD13 ILE A 5 7.134 -10.426 -3.516 1.00 33.13 H new ATOM 93 N LYS A 6 5.582 -13.870 -8.155 1.00 62.33 N ATOM 94 CA LYS A 6 5.338 -15.269 -8.487 1.00 43.01 C ATOM 95 C LYS A 6 6.649 -16.001 -8.758 1.00 0.51 C ATOM 96 O LYS A 6 7.548 -15.466 -9.409 1.00 33.40 O ATOM 97 CB LYS A 6 4.422 -15.373 -9.709 1.00 3.54 C ATOM 98 CG LYS A 6 4.156 -16.801 -10.150 1.00 32.33 C ATOM 99 CD LYS A 6 5.155 -17.256 -11.200 1.00 71.14 C ATOM 100 CE LYS A 6 4.649 -18.472 -11.961 1.00 61.21 C ATOM 101 NZ LYS A 6 5.526 -18.807 -13.117 1.00 72.33 N ATOM 0 H LYS A 6 6.083 -13.348 -8.874 1.00 62.33 H new ATOM 0 HA LYS A 6 4.849 -15.739 -7.633 1.00 43.01 H new ATOM 0 HB2 LYS A 6 3.472 -14.889 -9.483 1.00 3.54 H new ATOM 0 HB3 LYS A 6 4.871 -14.824 -10.537 1.00 3.54 H new ATOM 0 HG2 LYS A 6 4.207 -17.465 -9.287 1.00 32.33 H new ATOM 0 HG3 LYS A 6 3.145 -16.876 -10.551 1.00 32.33 H new ATOM 0 HD2 LYS A 6 5.346 -16.442 -11.899 1.00 71.14 H new ATOM 0 HD3 LYS A 6 6.105 -17.494 -10.721 1.00 71.14 H new ATOM 0 HE2 LYS A 6 4.595 -19.326 -11.286 1.00 61.21 H new ATOM 0 HE3 LYS A 6 3.636 -18.282 -12.316 1.00 61.21 H new ATOM 0 HZ1 LYS A 6 5.147 -19.641 -13.610 1.00 72.33 H new ATOM 0 HZ2 LYS A 6 5.557 -18.001 -13.774 1.00 72.33 H new ATOM 0 HZ3 LYS A 6 6.487 -19.013 -12.776 1.00 72.33 H new ATOM 115 N THR A 7 6.752 -17.227 -8.255 1.00 71.14 N ATOM 116 CA THR A 7 7.952 -18.032 -8.443 1.00 43.14 C ATOM 117 C THR A 7 7.696 -19.184 -9.409 1.00 5.34 C ATOM 118 O THR A 7 6.548 -19.539 -9.677 1.00 50.33 O ATOM 119 CB THR A 7 8.462 -18.601 -7.106 1.00 61.41 C ATOM 120 OG1 THR A 7 9.614 -19.422 -7.330 1.00 72.13 O ATOM 121 CG2 THR A 7 7.378 -19.417 -6.417 1.00 44.20 C ATOM 0 H THR A 7 6.018 -17.684 -7.714 1.00 71.14 H new ATOM 0 HA THR A 7 8.712 -17.373 -8.862 1.00 43.14 H new ATOM 0 HB THR A 7 8.732 -17.765 -6.460 1.00 61.41 H new ATOM 0 HG1 THR A 7 9.434 -20.332 -7.014 1.00 72.13 H new ATOM 0 HG21 THR A 7 7.761 -19.809 -5.475 1.00 44.20 H new ATOM 0 HG22 THR A 7 6.514 -18.782 -6.221 1.00 44.20 H new ATOM 0 HG23 THR A 7 7.082 -20.245 -7.061 1.00 44.20 H new ATOM 129 N LEU A 8 8.773 -19.765 -9.927 1.00 54.23 N ATOM 130 CA LEU A 8 8.665 -20.879 -10.863 1.00 55.42 C ATOM 131 C LEU A 8 7.901 -22.042 -10.239 1.00 25.42 C ATOM 132 O LEU A 8 7.268 -22.832 -10.940 1.00 63.23 O ATOM 133 CB LEU A 8 10.056 -21.341 -11.299 1.00 20.33 C ATOM 134 CG LEU A 8 10.096 -22.439 -12.363 1.00 11.15 C ATOM 135 CD1 LEU A 8 9.880 -23.804 -11.729 1.00 24.51 C ATOM 136 CD2 LEU A 8 9.052 -22.177 -13.438 1.00 71.23 C ATOM 0 H LEU A 8 9.730 -19.483 -9.715 1.00 54.23 H new ATOM 0 HA LEU A 8 8.113 -20.535 -11.738 1.00 55.42 H new ATOM 0 HB2 LEU A 8 10.602 -20.477 -11.677 1.00 20.33 H new ATOM 0 HB3 LEU A 8 10.591 -21.696 -10.419 1.00 20.33 H new ATOM 0 HG LEU A 8 11.080 -22.430 -12.831 1.00 11.15 H new ATOM 0 HD11 LEU A 8 9.912 -24.573 -12.501 1.00 24.51 H new ATOM 0 HD12 LEU A 8 10.664 -23.993 -10.996 1.00 24.51 H new ATOM 0 HD13 LEU A 8 8.909 -23.826 -11.235 1.00 24.51 H new ATOM 0 HD21 LEU A 8 9.094 -22.968 -14.187 1.00 71.23 H new ATOM 0 HD22 LEU A 8 8.061 -22.159 -12.986 1.00 71.23 H new ATOM 0 HD23 LEU A 8 9.252 -21.217 -13.913 1.00 71.23 H new ATOM 148 N THR A 9 7.964 -22.142 -8.915 1.00 11.15 N ATOM 149 CA THR A 9 7.278 -23.208 -8.195 1.00 44.00 C ATOM 150 C THR A 9 5.782 -22.934 -8.102 1.00 73.51 C ATOM 151 O THR A 9 5.008 -23.796 -7.687 1.00 71.22 O ATOM 152 CB THR A 9 7.846 -23.382 -6.774 1.00 2.12 C ATOM 153 OG1 THR A 9 8.383 -22.140 -6.305 1.00 43.24 O ATOM 154 CG2 THR A 9 8.930 -24.450 -6.751 1.00 14.53 C ATOM 0 H THR A 9 8.483 -21.497 -8.319 1.00 11.15 H new ATOM 0 HA THR A 9 7.442 -24.126 -8.759 1.00 44.00 H new ATOM 0 HB THR A 9 7.034 -23.697 -6.118 1.00 2.12 H new ATOM 0 HG1 THR A 9 8.741 -22.259 -5.400 1.00 43.24 H new ATOM 0 HG21 THR A 9 9.316 -24.555 -5.737 1.00 14.53 H new ATOM 0 HG22 THR A 9 8.511 -25.401 -7.080 1.00 14.53 H new ATOM 0 HG23 THR A 9 9.741 -24.160 -7.420 1.00 14.53 H new ATOM 162 N GLY A 10 5.380 -21.729 -8.492 1.00 14.50 N ATOM 163 CA GLY A 10 3.976 -21.364 -8.445 1.00 52.52 C ATOM 164 C GLY A 10 3.599 -20.675 -7.149 1.00 13.14 C ATOM 165 O GLY A 10 2.498 -20.140 -7.018 1.00 54.31 O ATOM 0 H GLY A 10 6.001 -20.999 -8.840 1.00 14.50 H new ATOM 0 HA2 GLY A 10 3.747 -20.706 -9.283 1.00 52.52 H new ATOM 0 HA3 GLY A 10 3.367 -22.259 -8.567 1.00 52.52 H new ATOM 169 N LYS A 11 4.514 -20.689 -6.185 1.00 53.12 N ATOM 170 CA LYS A 11 4.273 -20.062 -4.891 1.00 53.42 C ATOM 171 C LYS A 11 4.024 -18.565 -5.050 1.00 21.11 C ATOM 172 O LYS A 11 4.479 -17.948 -6.013 1.00 44.24 O ATOM 173 CB LYS A 11 5.463 -20.296 -3.958 1.00 41.54 C ATOM 174 CG LYS A 11 5.086 -20.331 -2.488 1.00 14.24 C ATOM 175 CD LYS A 11 4.500 -21.677 -2.094 1.00 52.54 C ATOM 176 CE LYS A 11 3.546 -21.546 -0.917 1.00 33.50 C ATOM 177 NZ LYS A 11 4.234 -21.038 0.301 1.00 3.44 N ATOM 0 H LYS A 11 5.430 -21.128 -6.276 1.00 53.12 H new ATOM 0 HA LYS A 11 3.383 -20.516 -4.455 1.00 53.42 H new ATOM 0 HB2 LYS A 11 5.942 -21.238 -4.224 1.00 41.54 H new ATOM 0 HB3 LYS A 11 6.199 -19.508 -4.117 1.00 41.54 H new ATOM 0 HG2 LYS A 11 5.967 -20.125 -1.881 1.00 14.24 H new ATOM 0 HG3 LYS A 11 4.363 -19.543 -2.278 1.00 14.24 H new ATOM 0 HD2 LYS A 11 3.973 -22.109 -2.945 1.00 52.54 H new ATOM 0 HD3 LYS A 11 5.306 -22.364 -1.836 1.00 52.54 H new ATOM 0 HE2 LYS A 11 2.732 -20.871 -1.183 1.00 33.50 H new ATOM 0 HE3 LYS A 11 3.098 -22.516 -0.703 1.00 33.50 H new ATOM 0 HZ1 LYS A 11 3.571 -21.043 1.102 1.00 3.44 H new ATOM 0 HZ2 LYS A 11 5.047 -21.648 0.521 1.00 3.44 H new ATOM 0 HZ3 LYS A 11 4.566 -20.067 0.133 1.00 3.44 H new ATOM 191 N THR A 12 3.300 -17.986 -4.097 1.00 53.35 N ATOM 192 CA THR A 12 2.991 -16.562 -4.131 1.00 40.25 C ATOM 193 C THR A 12 3.687 -15.821 -2.996 1.00 4.03 C ATOM 194 O THR A 12 3.622 -16.237 -1.839 1.00 22.43 O ATOM 195 CB THR A 12 1.474 -16.313 -4.037 1.00 72.40 C ATOM 196 OG1 THR A 12 0.803 -16.955 -5.127 1.00 64.44 O ATOM 197 CG2 THR A 12 1.167 -14.823 -4.053 1.00 63.42 C ATOM 0 H THR A 12 2.917 -18.482 -3.292 1.00 53.35 H new ATOM 0 HA THR A 12 3.355 -16.183 -5.086 1.00 40.25 H new ATOM 0 HB THR A 12 1.118 -16.731 -3.095 1.00 72.40 H new ATOM 0 HG1 THR A 12 -0.161 -16.793 -5.059 1.00 64.44 H new ATOM 0 HG21 THR A 12 0.090 -14.673 -3.986 1.00 63.42 H new ATOM 0 HG22 THR A 12 1.654 -14.342 -3.205 1.00 63.42 H new ATOM 0 HG23 THR A 12 1.537 -14.385 -4.980 1.00 63.42 H new ATOM 205 N ILE A 13 4.353 -14.721 -3.333 1.00 73.41 N ATOM 206 CA ILE A 13 5.060 -13.922 -2.340 1.00 54.01 C ATOM 207 C ILE A 13 4.636 -12.459 -2.410 1.00 1.32 C ATOM 208 O ILE A 13 4.691 -11.834 -3.470 1.00 4.03 O ATOM 209 CB ILE A 13 6.586 -14.013 -2.527 1.00 54.41 C ATOM 210 CG1 ILE A 13 7.019 -15.474 -2.658 1.00 24.02 C ATOM 211 CG2 ILE A 13 7.302 -13.344 -1.364 1.00 3.43 C ATOM 212 CD1 ILE A 13 8.499 -15.644 -2.924 1.00 12.34 C ATOM 0 H ILE A 13 4.417 -14.363 -4.286 1.00 73.41 H new ATOM 0 HA ILE A 13 4.798 -14.328 -1.363 1.00 54.01 H new ATOM 0 HB ILE A 13 6.857 -13.490 -3.444 1.00 54.41 H new ATOM 0 HG12 ILE A 13 6.759 -16.005 -1.742 1.00 24.02 H new ATOM 0 HG13 ILE A 13 6.457 -15.940 -3.467 1.00 24.02 H new ATOM 0 HG21 ILE A 13 8.380 -13.416 -1.510 1.00 3.43 H new ATOM 0 HG22 ILE A 13 7.012 -12.294 -1.314 1.00 3.43 H new ATOM 0 HG23 ILE A 13 7.028 -13.841 -0.434 1.00 3.43 H new ATOM 0 HD11 ILE A 13 8.735 -16.705 -3.005 1.00 12.34 H new ATOM 0 HD12 ILE A 13 8.761 -15.142 -3.855 1.00 12.34 H new ATOM 0 HD13 ILE A 13 9.069 -15.208 -2.103 1.00 12.34 H new ATOM 224 N THR A 14 4.214 -11.915 -1.272 1.00 62.41 N ATOM 225 CA THR A 14 3.782 -10.525 -1.203 1.00 71.31 C ATOM 226 C THR A 14 4.371 -9.826 0.017 1.00 62.23 C ATOM 227 O THR A 14 4.171 -10.262 1.150 1.00 2.52 O ATOM 228 CB THR A 14 2.246 -10.416 -1.151 1.00 23.50 C ATOM 229 OG1 THR A 14 1.767 -10.861 0.123 1.00 14.50 O ATOM 230 CG2 THR A 14 1.607 -11.244 -2.256 1.00 23.32 C ATOM 0 H THR A 14 4.162 -12.417 -0.386 1.00 62.41 H new ATOM 0 HA THR A 14 4.143 -10.037 -2.108 1.00 71.31 H new ATOM 0 HB THR A 14 1.972 -9.371 -1.297 1.00 23.50 H new ATOM 0 HG1 THR A 14 2.478 -10.766 0.791 1.00 14.50 H new ATOM 0 HG21 THR A 14 0.522 -11.151 -2.199 1.00 23.32 H new ATOM 0 HG22 THR A 14 1.952 -10.884 -3.226 1.00 23.32 H new ATOM 0 HG23 THR A 14 1.889 -12.290 -2.136 1.00 23.32 H new ATOM 238 N ALA A 15 5.098 -8.740 -0.223 1.00 51.34 N ATOM 239 CA ALA A 15 5.714 -7.979 0.856 1.00 10.24 C ATOM 240 C ALA A 15 5.977 -6.538 0.432 1.00 64.02 C ATOM 241 O ALA A 15 6.006 -6.228 -0.759 1.00 21.14 O ATOM 242 CB ALA A 15 7.008 -8.645 1.300 1.00 33.23 C ATOM 0 H ALA A 15 5.275 -8.367 -1.156 1.00 51.34 H new ATOM 0 HA ALA A 15 5.020 -7.962 1.696 1.00 10.24 H new ATOM 0 HB1 ALA A 15 7.457 -8.066 2.107 1.00 33.23 H new ATOM 0 HB2 ALA A 15 6.795 -9.654 1.653 1.00 33.23 H new ATOM 0 HB3 ALA A 15 7.700 -8.693 0.459 1.00 33.23 H new ATOM 248 N GLU A 16 6.168 -5.662 1.413 1.00 24.14 N ATOM 249 CA GLU A 16 6.428 -4.254 1.140 1.00 52.43 C ATOM 250 C GLU A 16 7.928 -3.975 1.097 1.00 55.13 C ATOM 251 O GLU A 16 8.702 -4.557 1.857 1.00 34.32 O ATOM 252 CB GLU A 16 5.765 -3.374 2.202 1.00 72.12 C ATOM 253 CG GLU A 16 6.284 -3.622 3.608 1.00 3.21 C ATOM 254 CD GLU A 16 5.456 -2.922 4.668 1.00 72.02 C ATOM 255 OE1 GLU A 16 4.327 -3.383 4.938 1.00 60.41 O ATOM 256 OE2 GLU A 16 5.935 -1.914 5.227 1.00 43.44 O ATOM 0 H GLU A 16 6.148 -5.903 2.404 1.00 24.14 H new ATOM 0 HA GLU A 16 6.004 -4.016 0.165 1.00 52.43 H new ATOM 0 HB2 GLU A 16 5.924 -2.327 1.945 1.00 72.12 H new ATOM 0 HB3 GLU A 16 4.689 -3.547 2.185 1.00 72.12 H new ATOM 0 HG2 GLU A 16 6.289 -4.694 3.806 1.00 3.21 H new ATOM 0 HG3 GLU A 16 7.317 -3.281 3.675 1.00 3.21 H new ATOM 263 N THR A 17 8.332 -3.080 0.201 1.00 51.15 N ATOM 264 CA THR A 17 9.738 -2.724 0.056 1.00 72.51 C ATOM 265 C THR A 17 9.928 -1.212 0.080 1.00 71.22 C ATOM 266 O THR A 17 8.962 -0.455 -0.005 1.00 34.23 O ATOM 267 CB THR A 17 10.327 -3.284 -1.253 1.00 10.12 C ATOM 268 OG1 THR A 17 11.731 -3.009 -1.315 1.00 31.01 O ATOM 269 CG2 THR A 17 9.632 -2.676 -2.462 1.00 62.51 C ATOM 0 H THR A 17 7.705 -2.588 -0.436 1.00 51.15 H new ATOM 0 HA THR A 17 10.265 -3.167 0.901 1.00 72.51 H new ATOM 0 HB THR A 17 10.167 -4.362 -1.266 1.00 10.12 H new ATOM 0 HG1 THR A 17 11.873 -2.117 -1.695 1.00 31.01 H new ATOM 0 HG21 THR A 17 10.064 -3.086 -3.375 1.00 62.51 H new ATOM 0 HG22 THR A 17 8.568 -2.911 -2.427 1.00 62.51 H new ATOM 0 HG23 THR A 17 9.765 -1.594 -2.452 1.00 62.51 H new ATOM 277 N GLU A 18 11.180 -0.779 0.195 1.00 74.41 N ATOM 278 CA GLU A 18 11.495 0.644 0.230 1.00 72.12 C ATOM 279 C GLU A 18 11.637 1.205 -1.182 1.00 74.43 C ATOM 280 O GLU A 18 12.149 0.548 -2.089 1.00 54.35 O ATOM 281 CB GLU A 18 12.784 0.884 1.018 1.00 44.14 C ATOM 282 CG GLU A 18 12.569 1.626 2.326 1.00 21.11 C ATOM 283 CD GLU A 18 11.465 1.016 3.168 1.00 65.40 C ATOM 284 OE1 GLU A 18 10.621 1.779 3.682 1.00 4.13 O ATOM 285 OE2 GLU A 18 11.446 -0.224 3.313 1.00 73.52 O ATOM 0 H GLU A 18 11.992 -1.393 0.265 1.00 74.41 H new ATOM 0 HA GLU A 18 10.673 1.160 0.726 1.00 72.12 H new ATOM 0 HB2 GLU A 18 13.255 -0.076 1.228 1.00 44.14 H new ATOM 0 HB3 GLU A 18 13.478 1.451 0.398 1.00 44.14 H new ATOM 0 HG2 GLU A 18 13.498 1.626 2.896 1.00 21.11 H new ATOM 0 HG3 GLU A 18 12.326 2.667 2.113 1.00 21.11 H new ATOM 292 N PRO A 19 11.172 2.448 -1.374 1.00 52.11 N ATOM 293 CA PRO A 19 11.235 3.125 -2.673 1.00 1.33 C ATOM 294 C PRO A 19 12.662 3.493 -3.066 1.00 72.40 C ATOM 295 O PRO A 19 12.907 3.970 -4.174 1.00 21.54 O ATOM 296 CB PRO A 19 10.398 4.388 -2.455 1.00 44.51 C ATOM 297 CG PRO A 19 10.470 4.642 -0.989 1.00 15.11 C ATOM 298 CD PRO A 19 10.549 3.289 -0.338 1.00 22.11 C ATOM 0 HA PRO A 19 10.872 2.491 -3.482 1.00 1.33 H new ATOM 0 HB2 PRO A 19 10.796 5.229 -3.023 1.00 44.51 H new ATOM 0 HB3 PRO A 19 9.368 4.242 -2.781 1.00 44.51 H new ATOM 0 HG2 PRO A 19 11.342 5.246 -0.740 1.00 15.11 H new ATOM 0 HG3 PRO A 19 9.593 5.190 -0.644 1.00 15.11 H new ATOM 0 HD2 PRO A 19 11.148 3.315 0.572 1.00 22.11 H new ATOM 0 HD3 PRO A 19 9.562 2.919 -0.060 1.00 22.11 H new ATOM 306 N ALA A 20 13.600 3.267 -2.152 1.00 35.13 N ATOM 307 CA ALA A 20 15.002 3.572 -2.405 1.00 22.14 C ATOM 308 C ALA A 20 15.710 2.393 -3.064 1.00 41.31 C ATOM 309 O ALA A 20 16.680 2.573 -3.799 1.00 44.32 O ATOM 310 CB ALA A 20 15.702 3.952 -1.108 1.00 32.21 C ATOM 0 H ALA A 20 13.414 2.874 -1.230 1.00 35.13 H new ATOM 0 HA ALA A 20 15.046 4.418 -3.091 1.00 22.14 H new ATOM 0 HB1 ALA A 20 16.749 4.177 -1.312 1.00 32.21 H new ATOM 0 HB2 ALA A 20 15.219 4.829 -0.678 1.00 32.21 H new ATOM 0 HB3 ALA A 20 15.640 3.122 -0.404 1.00 32.21 H new ATOM 316 N GLU A 21 15.218 1.188 -2.795 1.00 63.25 N ATOM 317 CA GLU A 21 15.806 -0.020 -3.363 1.00 22.14 C ATOM 318 C GLU A 21 14.852 -1.204 -3.229 1.00 44.23 C ATOM 319 O GLU A 21 14.791 -1.852 -2.184 1.00 74.21 O ATOM 320 CB GLU A 21 17.134 -0.341 -2.672 1.00 53.54 C ATOM 321 CG GLU A 21 18.345 0.243 -3.381 1.00 75.00 C ATOM 322 CD GLU A 21 19.636 -0.451 -2.996 1.00 25.21 C ATOM 323 OE1 GLU A 21 19.825 -0.728 -1.793 1.00 35.14 O ATOM 324 OE2 GLU A 21 20.459 -0.717 -3.897 1.00 22.23 O ATOM 0 H GLU A 21 14.415 1.022 -2.188 1.00 63.25 H new ATOM 0 HA GLU A 21 15.989 0.159 -4.422 1.00 22.14 H new ATOM 0 HB2 GLU A 21 17.104 0.038 -1.651 1.00 53.54 H new ATOM 0 HB3 GLU A 21 17.248 -1.423 -2.607 1.00 53.54 H new ATOM 0 HG2 GLU A 21 18.203 0.166 -4.459 1.00 75.00 H new ATOM 0 HG3 GLU A 21 18.423 1.304 -3.145 1.00 75.00 H new ATOM 331 N THR A 22 14.109 -1.480 -4.296 1.00 75.10 N ATOM 332 CA THR A 22 13.156 -2.583 -4.299 1.00 24.51 C ATOM 333 C THR A 22 13.868 -3.923 -4.452 1.00 33.02 C ATOM 334 O THR A 22 13.463 -4.924 -3.860 1.00 13.40 O ATOM 335 CB THR A 22 12.124 -2.431 -5.431 1.00 74.35 C ATOM 336 OG1 THR A 22 11.039 -3.345 -5.232 1.00 3.03 O ATOM 337 CG2 THR A 22 12.765 -2.686 -6.787 1.00 23.51 C ATOM 0 H THR A 22 14.149 -0.955 -5.169 1.00 75.10 H new ATOM 0 HA THR A 22 12.638 -2.556 -3.340 1.00 24.51 H new ATOM 0 HB THR A 22 11.746 -1.409 -5.412 1.00 74.35 H new ATOM 0 HG1 THR A 22 11.371 -4.265 -5.295 1.00 3.03 H new ATOM 0 HG21 THR A 22 12.016 -2.573 -7.571 1.00 23.51 H new ATOM 0 HG22 THR A 22 13.571 -1.970 -6.949 1.00 23.51 H new ATOM 0 HG23 THR A 22 13.168 -3.698 -6.814 1.00 23.51 H new ATOM 345 N VAL A 23 14.931 -3.936 -5.249 1.00 41.43 N ATOM 346 CA VAL A 23 15.701 -5.153 -5.479 1.00 15.34 C ATOM 347 C VAL A 23 16.576 -5.484 -4.275 1.00 71.33 C ATOM 348 O VAL A 23 16.508 -6.585 -3.730 1.00 33.31 O ATOM 349 CB VAL A 23 16.592 -5.026 -6.729 1.00 34.34 C ATOM 350 CG1 VAL A 23 17.461 -6.264 -6.892 1.00 52.22 C ATOM 351 CG2 VAL A 23 15.740 -4.795 -7.968 1.00 4.11 C ATOM 0 H VAL A 23 15.279 -3.117 -5.747 1.00 41.43 H new ATOM 0 HA VAL A 23 14.983 -5.958 -5.635 1.00 15.34 H new ATOM 0 HB VAL A 23 17.248 -4.165 -6.602 1.00 34.34 H new ATOM 0 HG11 VAL A 23 18.084 -6.157 -7.780 1.00 52.22 H new ATOM 0 HG12 VAL A 23 18.097 -6.380 -6.014 1.00 52.22 H new ATOM 0 HG13 VAL A 23 16.826 -7.143 -6.998 1.00 52.22 H new ATOM 0 HG21 VAL A 23 16.385 -4.708 -8.842 1.00 4.11 H new ATOM 0 HG22 VAL A 23 15.058 -5.635 -8.103 1.00 4.11 H new ATOM 0 HG23 VAL A 23 15.165 -3.877 -7.848 1.00 4.11 H new ATOM 361 N ALA A 24 17.398 -4.524 -3.866 1.00 10.31 N ATOM 362 CA ALA A 24 18.285 -4.712 -2.725 1.00 65.51 C ATOM 363 C ALA A 24 17.502 -5.119 -1.482 1.00 22.34 C ATOM 364 O ALA A 24 17.959 -5.946 -0.692 1.00 34.12 O ATOM 365 CB ALA A 24 19.080 -3.443 -2.459 1.00 1.42 C ATOM 0 H ALA A 24 17.468 -3.607 -4.308 1.00 10.31 H new ATOM 0 HA ALA A 24 18.979 -5.518 -2.965 1.00 65.51 H new ATOM 0 HB1 ALA A 24 19.738 -3.598 -1.604 1.00 1.42 H new ATOM 0 HB2 ALA A 24 19.677 -3.197 -3.337 1.00 1.42 H new ATOM 0 HB3 ALA A 24 18.395 -2.623 -2.245 1.00 1.42 H new ATOM 371 N ASP A 25 16.322 -4.533 -1.314 1.00 20.24 N ATOM 372 CA ASP A 25 15.475 -4.835 -0.166 1.00 32.23 C ATOM 373 C ASP A 25 15.087 -6.310 -0.150 1.00 31.52 C ATOM 374 O ASP A 25 15.221 -6.988 0.870 1.00 3.22 O ATOM 375 CB ASP A 25 14.217 -3.965 -0.190 1.00 5.33 C ATOM 376 CG ASP A 25 13.155 -4.455 0.775 1.00 44.13 C ATOM 377 OD1 ASP A 25 12.988 -3.828 1.842 1.00 21.32 O ATOM 378 OD2 ASP A 25 12.491 -5.465 0.462 1.00 51.44 O ATOM 0 H ASP A 25 15.930 -3.846 -1.958 1.00 20.24 H new ATOM 0 HA ASP A 25 16.042 -4.617 0.739 1.00 32.23 H new ATOM 0 HB2 ASP A 25 14.484 -2.938 0.059 1.00 5.33 H new ATOM 0 HB3 ASP A 25 13.807 -3.951 -1.200 1.00 5.33 H new ATOM 383 N LEU A 26 14.604 -6.802 -1.286 1.00 23.24 N ATOM 384 CA LEU A 26 14.195 -8.198 -1.403 1.00 4.35 C ATOM 385 C LEU A 26 15.404 -9.126 -1.339 1.00 72.35 C ATOM 386 O LEU A 26 15.336 -10.214 -0.767 1.00 35.20 O ATOM 387 CB LEU A 26 13.436 -8.419 -2.712 1.00 15.14 C ATOM 388 CG LEU A 26 11.939 -8.705 -2.579 1.00 43.20 C ATOM 389 CD1 LEU A 26 11.707 -9.965 -1.760 1.00 1.34 C ATOM 390 CD2 LEU A 26 11.223 -7.518 -1.951 1.00 22.24 C ATOM 0 H LEU A 26 14.486 -6.255 -2.139 1.00 23.24 H new ATOM 0 HA LEU A 26 13.537 -8.430 -0.566 1.00 4.35 H new ATOM 0 HB2 LEU A 26 13.563 -7.534 -3.336 1.00 15.14 H new ATOM 0 HB3 LEU A 26 13.899 -9.252 -3.241 1.00 15.14 H new ATOM 0 HG LEU A 26 11.529 -8.865 -3.576 1.00 43.20 H new ATOM 0 HD11 LEU A 26 10.637 -10.152 -1.676 1.00 1.34 H new ATOM 0 HD12 LEU A 26 12.186 -10.812 -2.251 1.00 1.34 H new ATOM 0 HD13 LEU A 26 12.132 -9.835 -0.765 1.00 1.34 H new ATOM 0 HD21 LEU A 26 10.159 -7.739 -1.864 1.00 22.24 H new ATOM 0 HD22 LEU A 26 11.636 -7.326 -0.961 1.00 22.24 H new ATOM 0 HD23 LEU A 26 11.360 -6.637 -2.578 1.00 22.24 H new ATOM 402 N LYS A 27 16.511 -8.689 -1.930 1.00 31.10 N ATOM 403 CA LYS A 27 17.737 -9.478 -1.939 1.00 32.43 C ATOM 404 C LYS A 27 18.145 -9.866 -0.521 1.00 15.11 C ATOM 405 O LYS A 27 18.646 -10.965 -0.289 1.00 62.51 O ATOM 406 CB LYS A 27 18.867 -8.695 -2.610 1.00 3.03 C ATOM 407 CG LYS A 27 18.671 -8.503 -4.104 1.00 12.45 C ATOM 408 CD LYS A 27 19.340 -9.609 -4.901 1.00 63.21 C ATOM 409 CE LYS A 27 19.799 -9.114 -6.264 1.00 63.42 C ATOM 410 NZ LYS A 27 20.859 -9.986 -6.842 1.00 45.35 N ATOM 0 H LYS A 27 16.584 -7.792 -2.409 1.00 31.10 H new ATOM 0 HA LYS A 27 17.548 -10.390 -2.506 1.00 32.43 H new ATOM 0 HB2 LYS A 27 18.952 -7.718 -2.135 1.00 3.03 H new ATOM 0 HB3 LYS A 27 19.809 -9.216 -2.440 1.00 3.03 H new ATOM 0 HG2 LYS A 27 17.605 -8.482 -4.332 1.00 12.45 H new ATOM 0 HG3 LYS A 27 19.080 -7.538 -4.404 1.00 12.45 H new ATOM 0 HD2 LYS A 27 20.195 -9.993 -4.345 1.00 63.21 H new ATOM 0 HD3 LYS A 27 18.645 -10.438 -5.029 1.00 63.21 H new ATOM 0 HE2 LYS A 27 18.947 -9.079 -6.943 1.00 63.42 H new ATOM 0 HE3 LYS A 27 20.176 -8.095 -6.172 1.00 63.42 H new ATOM 0 HZ1 LYS A 27 21.474 -9.421 -7.462 1.00 45.35 H new ATOM 0 HZ2 LYS A 27 21.427 -10.398 -6.074 1.00 45.35 H new ATOM 0 HZ3 LYS A 27 20.418 -10.749 -7.394 1.00 45.35 H new ATOM 424 N GLN A 28 17.924 -8.956 0.423 1.00 62.41 N ATOM 425 CA GLN A 28 18.268 -9.205 1.818 1.00 45.12 C ATOM 426 C GLN A 28 17.252 -10.135 2.472 1.00 11.31 C ATOM 427 O GLN A 28 17.577 -10.871 3.404 1.00 62.14 O ATOM 428 CB GLN A 28 18.342 -7.886 2.590 1.00 61.34 C ATOM 429 CG GLN A 28 18.820 -8.047 4.024 1.00 45.44 C ATOM 430 CD GLN A 28 18.939 -6.722 4.751 1.00 51.21 C ATOM 431 OE1 GLN A 28 17.950 -6.012 4.938 1.00 71.35 O ATOM 432 NE2 GLN A 28 20.153 -6.381 5.166 1.00 1.34 N ATOM 0 H GLN A 28 17.509 -8.041 0.247 1.00 62.41 H new ATOM 0 HA GLN A 28 19.244 -9.689 1.845 1.00 45.12 H new ATOM 0 HB2 GLN A 28 19.013 -7.205 2.066 1.00 61.34 H new ATOM 0 HB3 GLN A 28 17.356 -7.421 2.594 1.00 61.34 H new ATOM 0 HG2 GLN A 28 18.127 -8.692 4.564 1.00 45.44 H new ATOM 0 HG3 GLN A 28 19.789 -8.547 4.026 1.00 45.44 H new ATOM 0 HE21 GLN A 28 20.945 -7.000 4.990 1.00 1.34 H new ATOM 0 HE22 GLN A 28 20.294 -5.501 5.661 1.00 1.34 H new ATOM 441 N LYS A 29 16.019 -10.096 1.979 1.00 53.21 N ATOM 442 CA LYS A 29 14.953 -10.935 2.514 1.00 23.11 C ATOM 443 C LYS A 29 15.242 -12.411 2.257 1.00 1.34 C ATOM 444 O LYS A 29 15.210 -13.228 3.178 1.00 72.13 O ATOM 445 CB LYS A 29 13.610 -10.551 1.889 1.00 45.14 C ATOM 446 CG LYS A 29 12.468 -11.467 2.291 1.00 13.00 C ATOM 447 CD LYS A 29 12.219 -11.423 3.789 1.00 11.04 C ATOM 448 CE LYS A 29 11.568 -10.114 4.208 1.00 53.30 C ATOM 449 NZ LYS A 29 11.910 -9.747 5.610 1.00 30.52 N ATOM 0 H LYS A 29 15.733 -9.492 1.209 1.00 53.21 H new ATOM 0 HA LYS A 29 14.904 -10.774 3.591 1.00 23.11 H new ATOM 0 HB2 LYS A 29 13.364 -9.529 2.177 1.00 45.14 H new ATOM 0 HB3 LYS A 29 13.708 -10.561 0.803 1.00 45.14 H new ATOM 0 HG2 LYS A 29 11.561 -11.174 1.762 1.00 13.00 H new ATOM 0 HG3 LYS A 29 12.697 -12.489 1.989 1.00 13.00 H new ATOM 0 HD2 LYS A 29 11.579 -12.257 4.077 1.00 11.04 H new ATOM 0 HD3 LYS A 29 13.163 -11.547 4.320 1.00 11.04 H new ATOM 0 HE2 LYS A 29 11.888 -9.318 3.536 1.00 53.30 H new ATOM 0 HE3 LYS A 29 10.486 -10.199 4.109 1.00 53.30 H new ATOM 0 HZ1 LYS A 29 11.447 -8.849 5.857 1.00 30.52 H new ATOM 0 HZ2 LYS A 29 11.582 -10.494 6.254 1.00 30.52 H new ATOM 0 HZ3 LYS A 29 12.941 -9.641 5.699 1.00 30.52 H new ATOM 463 N ILE A 30 15.525 -12.744 1.003 1.00 43.23 N ATOM 464 CA ILE A 30 15.822 -14.120 0.627 1.00 63.51 C ATOM 465 C ILE A 30 17.220 -14.525 1.082 1.00 22.21 C ATOM 466 O ILE A 30 17.464 -15.684 1.417 1.00 13.14 O ATOM 467 CB ILE A 30 15.711 -14.325 -0.896 1.00 2.14 C ATOM 468 CG1 ILE A 30 14.297 -13.993 -1.375 1.00 15.12 C ATOM 469 CG2 ILE A 30 16.080 -15.753 -1.266 1.00 63.45 C ATOM 470 CD1 ILE A 30 14.161 -12.594 -1.934 1.00 71.14 C ATOM 0 H ILE A 30 15.555 -12.080 0.230 1.00 43.23 H new ATOM 0 HA ILE A 30 15.084 -14.749 1.125 1.00 63.51 H new ATOM 0 HB ILE A 30 16.410 -13.650 -1.391 1.00 2.14 H new ATOM 0 HG12 ILE A 30 14.003 -14.711 -2.140 1.00 15.12 H new ATOM 0 HG13 ILE A 30 13.603 -14.112 -0.543 1.00 15.12 H new ATOM 0 HG21 ILE A 30 15.997 -15.882 -2.345 1.00 63.45 H new ATOM 0 HG22 ILE A 30 17.104 -15.957 -0.954 1.00 63.45 H new ATOM 0 HG23 ILE A 30 15.404 -16.445 -0.764 1.00 63.45 H new ATOM 0 HD11 ILE A 30 13.132 -12.428 -2.254 1.00 71.14 H new ATOM 0 HD12 ILE A 30 14.423 -11.868 -1.165 1.00 71.14 H new ATOM 0 HD13 ILE A 30 14.830 -12.476 -2.787 1.00 71.14 H new ATOM 482 N ALA A 31 18.135 -13.561 1.093 1.00 62.41 N ATOM 483 CA ALA A 31 19.508 -13.816 1.511 1.00 62.21 C ATOM 484 C ALA A 31 19.552 -14.444 2.900 1.00 13.41 C ATOM 485 O ALA A 31 20.198 -15.470 3.108 1.00 64.41 O ATOM 486 CB ALA A 31 20.315 -12.527 1.487 1.00 42.53 C ATOM 0 H ALA A 31 17.950 -12.597 0.817 1.00 62.41 H new ATOM 0 HA ALA A 31 19.950 -14.522 0.808 1.00 62.21 H new ATOM 0 HB1 ALA A 31 21.338 -12.732 1.801 1.00 42.53 H new ATOM 0 HB2 ALA A 31 20.321 -12.120 0.476 1.00 42.53 H new ATOM 0 HB3 ALA A 31 19.865 -11.803 2.167 1.00 42.53 H new ATOM 492 N ASP A 32 18.861 -13.820 3.848 1.00 55.23 N ATOM 493 CA ASP A 32 18.820 -14.318 5.218 1.00 40.42 C ATOM 494 C ASP A 32 17.883 -15.516 5.333 1.00 14.42 C ATOM 495 O ASP A 32 18.033 -16.352 6.225 1.00 55.54 O ATOM 496 CB ASP A 32 18.372 -13.210 6.172 1.00 10.25 C ATOM 497 CG ASP A 32 18.104 -13.726 7.573 1.00 44.52 C ATOM 498 OD1 ASP A 32 16.960 -13.579 8.051 1.00 74.54 O ATOM 499 OD2 ASP A 32 19.039 -14.276 8.191 1.00 45.04 O ATOM 0 H ASP A 32 18.322 -12.968 3.693 1.00 55.23 H new ATOM 0 HA ASP A 32 19.825 -14.639 5.493 1.00 40.42 H new ATOM 0 HB2 ASP A 32 19.140 -12.437 6.213 1.00 10.25 H new ATOM 0 HB3 ASP A 32 17.469 -12.741 5.781 1.00 10.25 H new ATOM 504 N LYS A 33 16.914 -15.592 4.426 1.00 25.24 N ATOM 505 CA LYS A 33 15.952 -16.687 4.425 1.00 32.31 C ATOM 506 C LYS A 33 16.634 -18.011 4.094 1.00 12.10 C ATOM 507 O LYS A 33 16.405 -19.020 4.759 1.00 33.33 O ATOM 508 CB LYS A 33 14.835 -16.411 3.416 1.00 11.51 C ATOM 509 CG LYS A 33 13.796 -17.516 3.340 1.00 11.14 C ATOM 510 CD LYS A 33 12.592 -17.094 2.515 1.00 12.24 C ATOM 511 CE LYS A 33 11.440 -18.075 2.668 1.00 32.22 C ATOM 512 NZ LYS A 33 11.772 -19.413 2.104 1.00 41.30 N ATOM 0 H LYS A 33 16.775 -14.908 3.682 1.00 25.24 H new ATOM 0 HA LYS A 33 15.522 -16.760 5.424 1.00 32.31 H new ATOM 0 HB2 LYS A 33 14.340 -15.477 3.681 1.00 11.51 H new ATOM 0 HB3 LYS A 33 15.275 -16.270 2.429 1.00 11.51 H new ATOM 0 HG2 LYS A 33 14.244 -18.408 2.902 1.00 11.14 H new ATOM 0 HG3 LYS A 33 13.473 -17.783 4.346 1.00 11.14 H new ATOM 0 HD2 LYS A 33 12.268 -16.100 2.824 1.00 12.24 H new ATOM 0 HD3 LYS A 33 12.875 -17.025 1.465 1.00 12.24 H new ATOM 0 HE2 LYS A 33 11.189 -18.178 3.724 1.00 32.22 H new ATOM 0 HE3 LYS A 33 10.557 -17.679 2.167 1.00 32.22 H new ATOM 0 HZ1 LYS A 33 10.950 -20.043 2.197 1.00 41.30 H new ATOM 0 HZ2 LYS A 33 12.020 -19.314 1.099 1.00 41.30 H new ATOM 0 HZ3 LYS A 33 12.578 -19.818 2.622 1.00 41.30 H new ATOM 526 N GLU A 34 17.473 -17.998 3.063 1.00 0.51 N ATOM 527 CA GLU A 34 18.188 -19.198 2.646 1.00 43.34 C ATOM 528 C GLU A 34 19.666 -19.106 3.015 1.00 62.43 C ATOM 529 O GLU A 34 20.479 -19.919 2.574 1.00 15.54 O ATOM 530 CB GLU A 34 18.040 -19.408 1.137 1.00 1.13 C ATOM 531 CG GLU A 34 16.712 -20.029 0.737 1.00 44.12 C ATOM 532 CD GLU A 34 16.706 -21.538 0.885 1.00 61.04 C ATOM 533 OE1 GLU A 34 17.584 -22.196 0.288 1.00 42.45 O ATOM 534 OE2 GLU A 34 15.824 -22.061 1.596 1.00 32.45 O ATOM 0 H GLU A 34 17.674 -17.170 2.502 1.00 0.51 H new ATOM 0 HA GLU A 34 17.753 -20.050 3.169 1.00 43.34 H new ATOM 0 HB2 GLU A 34 18.149 -18.448 0.632 1.00 1.13 H new ATOM 0 HB3 GLU A 34 18.851 -20.047 0.786 1.00 1.13 H new ATOM 0 HG2 GLU A 34 15.917 -19.604 1.350 1.00 44.12 H new ATOM 0 HG3 GLU A 34 16.490 -19.768 -0.298 1.00 44.12 H new ATOM 541 N GLY A 35 20.007 -18.110 3.827 1.00 60.04 N ATOM 542 CA GLY A 35 21.386 -17.930 4.241 1.00 0.51 C ATOM 543 C GLY A 35 22.345 -17.897 3.067 1.00 14.43 C ATOM 544 O GLY A 35 23.492 -18.329 3.181 1.00 74.23 O ATOM 0 H GLY A 35 19.353 -17.425 4.205 1.00 60.04 H new ATOM 0 HA2 GLY A 35 21.475 -17.001 4.805 1.00 0.51 H new ATOM 0 HA3 GLY A 35 21.669 -18.739 4.914 1.00 0.51 H new ATOM 548 N VAL A 36 21.874 -17.383 1.935 1.00 71.40 N ATOM 549 CA VAL A 36 22.697 -17.296 0.735 1.00 62.42 C ATOM 550 C VAL A 36 22.994 -15.845 0.376 1.00 55.42 C ATOM 551 O VAL A 36 22.260 -14.926 0.742 1.00 73.30 O ATOM 552 CB VAL A 36 22.015 -17.981 -0.464 1.00 63.35 C ATOM 553 CG1 VAL A 36 22.144 -19.493 -0.360 1.00 65.33 C ATOM 554 CG2 VAL A 36 20.554 -17.568 -0.554 1.00 1.34 C ATOM 0 H VAL A 36 20.927 -17.021 1.824 1.00 71.40 H new ATOM 0 HA VAL A 36 23.632 -17.811 0.955 1.00 62.42 H new ATOM 0 HB VAL A 36 22.517 -17.659 -1.377 1.00 63.35 H new ATOM 0 HG11 VAL A 36 21.656 -19.960 -1.216 1.00 65.33 H new ATOM 0 HG12 VAL A 36 23.199 -19.768 -0.349 1.00 65.33 H new ATOM 0 HG13 VAL A 36 21.670 -19.836 0.559 1.00 65.33 H new ATOM 0 HG21 VAL A 36 20.088 -18.062 -1.407 1.00 1.34 H new ATOM 0 HG22 VAL A 36 20.037 -17.859 0.360 1.00 1.34 H new ATOM 0 HG23 VAL A 36 20.488 -16.487 -0.680 1.00 1.34 H new ATOM 564 N PRO A 37 24.095 -15.630 -0.359 1.00 51.10 N ATOM 565 CA PRO A 37 24.514 -14.291 -0.785 1.00 74.21 C ATOM 566 C PRO A 37 23.579 -13.698 -1.834 1.00 63.01 C ATOM 567 O PRO A 37 23.010 -14.420 -2.652 1.00 71.34 O ATOM 568 CB PRO A 37 25.904 -14.527 -1.380 1.00 22.02 C ATOM 569 CG PRO A 37 25.894 -15.952 -1.813 1.00 23.42 C ATOM 570 CD PRO A 37 25.016 -16.677 -0.831 1.00 30.41 C ATOM 0 HA PRO A 37 24.504 -13.579 0.040 1.00 74.21 H new ATOM 0 HB2 PRO A 37 26.093 -13.859 -2.220 1.00 22.02 H new ATOM 0 HB3 PRO A 37 26.686 -14.342 -0.644 1.00 22.02 H new ATOM 0 HG2 PRO A 37 25.508 -16.049 -2.828 1.00 23.42 H new ATOM 0 HG3 PRO A 37 26.902 -16.366 -1.815 1.00 23.42 H new ATOM 0 HD2 PRO A 37 24.480 -17.501 -1.303 1.00 30.41 H new ATOM 0 HD3 PRO A 37 25.595 -17.102 -0.011 1.00 30.41 H new ATOM 578 N VAL A 38 23.426 -12.378 -1.805 1.00 0.12 N ATOM 579 CA VAL A 38 22.562 -11.687 -2.754 1.00 73.44 C ATOM 580 C VAL A 38 23.097 -11.812 -4.176 1.00 43.03 C ATOM 581 O VAL A 38 22.355 -11.656 -5.146 1.00 61.41 O ATOM 582 CB VAL A 38 22.418 -10.195 -2.401 1.00 22.25 C ATOM 583 CG1 VAL A 38 21.808 -10.031 -1.017 1.00 51.30 C ATOM 584 CG2 VAL A 38 23.767 -9.496 -2.484 1.00 32.31 C ATOM 0 H VAL A 38 23.890 -11.766 -1.134 1.00 0.12 H new ATOM 0 HA VAL A 38 21.583 -12.162 -2.694 1.00 73.44 H new ATOM 0 HB VAL A 38 21.748 -9.731 -3.125 1.00 22.25 H new ATOM 0 HG11 VAL A 38 21.714 -8.970 -0.784 1.00 51.30 H new ATOM 0 HG12 VAL A 38 20.822 -10.496 -0.996 1.00 51.30 H new ATOM 0 HG13 VAL A 38 22.450 -10.509 -0.277 1.00 51.30 H new ATOM 0 HG21 VAL A 38 23.647 -8.442 -2.232 1.00 32.31 H new ATOM 0 HG22 VAL A 38 24.461 -9.960 -1.783 1.00 32.31 H new ATOM 0 HG23 VAL A 38 24.161 -9.584 -3.497 1.00 32.31 H new ATOM 594 N ASP A 39 24.390 -12.094 -4.293 1.00 2.12 N ATOM 595 CA ASP A 39 25.026 -12.241 -5.597 1.00 22.42 C ATOM 596 C ASP A 39 24.636 -13.566 -6.245 1.00 24.32 C ATOM 597 O ASP A 39 24.786 -13.744 -7.453 1.00 61.13 O ATOM 598 CB ASP A 39 26.547 -12.155 -5.459 1.00 50.31 C ATOM 599 CG ASP A 39 27.024 -10.742 -5.185 1.00 32.14 C ATOM 600 OD1 ASP A 39 27.506 -10.486 -4.061 1.00 14.10 O ATOM 601 OD2 ASP A 39 26.916 -9.893 -6.094 1.00 2.14 O ATOM 0 H ASP A 39 25.018 -12.225 -3.500 1.00 2.12 H new ATOM 0 HA ASP A 39 24.680 -11.429 -6.236 1.00 22.42 H new ATOM 0 HB2 ASP A 39 26.873 -12.809 -4.650 1.00 50.31 H new ATOM 0 HB3 ASP A 39 27.013 -12.522 -6.373 1.00 50.31 H new ATOM 606 N GLN A 40 24.137 -14.492 -5.432 1.00 62.34 N ATOM 607 CA GLN A 40 23.728 -15.801 -5.927 1.00 71.41 C ATOM 608 C GLN A 40 22.297 -15.761 -6.454 1.00 22.41 C ATOM 609 O GLN A 40 21.871 -16.654 -7.186 1.00 41.23 O ATOM 610 CB GLN A 40 23.847 -16.849 -4.819 1.00 12.12 C ATOM 611 CG GLN A 40 25.161 -17.613 -4.842 1.00 0.52 C ATOM 612 CD GLN A 40 25.211 -18.656 -5.941 1.00 13.33 C ATOM 613 OE1 GLN A 40 25.929 -18.500 -6.929 1.00 12.33 O ATOM 614 NE2 GLN A 40 24.446 -19.728 -5.774 1.00 73.21 N ATOM 0 H GLN A 40 24.006 -14.360 -4.429 1.00 62.34 H new ATOM 0 HA GLN A 40 24.391 -16.074 -6.748 1.00 71.41 H new ATOM 0 HB2 GLN A 40 23.739 -16.357 -3.852 1.00 12.12 H new ATOM 0 HB3 GLN A 40 23.023 -17.557 -4.910 1.00 12.12 H new ATOM 0 HG2 GLN A 40 25.983 -16.910 -4.976 1.00 0.52 H new ATOM 0 HG3 GLN A 40 25.311 -18.099 -3.878 1.00 0.52 H new ATOM 0 HE21 GLN A 40 23.866 -19.816 -4.939 1.00 73.21 H new ATOM 0 HE22 GLN A 40 24.438 -20.464 -6.480 1.00 73.21 H new ATOM 623 N GLN A 41 21.561 -14.721 -6.075 1.00 64.34 N ATOM 624 CA GLN A 41 20.178 -14.567 -6.509 1.00 51.43 C ATOM 625 C GLN A 41 20.063 -13.496 -7.589 1.00 14.40 C ATOM 626 O GLN A 41 20.964 -12.675 -7.761 1.00 54.51 O ATOM 627 CB GLN A 41 19.285 -14.207 -5.320 1.00 64.12 C ATOM 628 CG GLN A 41 19.825 -13.062 -4.478 1.00 64.25 C ATOM 629 CD GLN A 41 18.925 -12.724 -3.307 1.00 21.24 C ATOM 630 OE1 GLN A 41 19.385 -12.597 -2.172 1.00 5.33 O ATOM 631 NE2 GLN A 41 17.633 -12.577 -3.576 1.00 1.25 N ATOM 0 H GLN A 41 21.899 -13.973 -5.469 1.00 64.34 H new ATOM 0 HA GLN A 41 19.847 -15.517 -6.928 1.00 51.43 H new ATOM 0 HB2 GLN A 41 18.294 -13.941 -5.688 1.00 64.12 H new ATOM 0 HB3 GLN A 41 19.164 -15.087 -4.688 1.00 64.12 H new ATOM 0 HG2 GLN A 41 20.815 -13.325 -4.106 1.00 64.25 H new ATOM 0 HG3 GLN A 41 19.945 -12.179 -5.106 1.00 64.25 H new ATOM 0 HE21 GLN A 41 17.295 -12.691 -4.531 1.00 1.25 H new ATOM 0 HE22 GLN A 41 16.979 -12.350 -2.827 1.00 1.25 H new ATOM 640 N ARG A 42 18.949 -13.511 -8.314 1.00 13.53 N ATOM 641 CA ARG A 42 18.717 -12.541 -9.378 1.00 34.41 C ATOM 642 C ARG A 42 17.308 -11.962 -9.288 1.00 0.35 C ATOM 643 O ARG A 42 16.370 -12.644 -8.874 1.00 14.12 O ATOM 644 CB ARG A 42 18.924 -13.194 -10.746 1.00 21.54 C ATOM 645 CG ARG A 42 19.082 -12.195 -11.880 1.00 72.20 C ATOM 646 CD ARG A 42 20.523 -11.729 -12.016 1.00 21.53 C ATOM 647 NE ARG A 42 20.791 -10.538 -11.214 1.00 61.25 N ATOM 648 CZ ARG A 42 20.279 -9.342 -11.482 1.00 33.22 C ATOM 649 NH1 ARG A 42 19.475 -9.179 -12.524 1.00 23.31 N ATOM 650 NH2 ARG A 42 20.570 -8.306 -10.706 1.00 15.13 N ATOM 0 H ARG A 42 18.193 -14.184 -8.184 1.00 13.53 H new ATOM 0 HA ARG A 42 19.434 -11.729 -9.258 1.00 34.41 H new ATOM 0 HB2 ARG A 42 19.809 -13.828 -10.706 1.00 21.54 H new ATOM 0 HB3 ARG A 42 18.076 -13.844 -10.961 1.00 21.54 H new ATOM 0 HG2 ARG A 42 18.756 -12.650 -12.815 1.00 72.20 H new ATOM 0 HG3 ARG A 42 18.436 -11.335 -11.702 1.00 72.20 H new ATOM 0 HD2 ARG A 42 21.194 -12.531 -11.709 1.00 21.53 H new ATOM 0 HD3 ARG A 42 20.738 -11.517 -13.063 1.00 21.53 H new ATOM 0 HE ARG A 42 21.405 -10.630 -10.404 1.00 61.25 H new ATOM 0 HH11 ARG A 42 19.248 -9.973 -13.122 1.00 23.31 H new ATOM 0 HH12 ARG A 42 19.083 -8.259 -12.727 1.00 23.31 H new ATOM 0 HH21 ARG A 42 21.187 -8.428 -9.903 1.00 15.13 H new ATOM 0 HH22 ARG A 42 20.177 -7.388 -10.912 1.00 15.13 H new ATOM 664 N LEU A 43 17.168 -10.699 -9.676 1.00 75.34 N ATOM 665 CA LEU A 43 15.873 -10.027 -9.639 1.00 45.32 C ATOM 666 C LEU A 43 15.410 -9.660 -11.045 1.00 51.32 C ATOM 667 O LEU A 43 16.077 -8.903 -11.751 1.00 52.33 O ATOM 668 CB LEU A 43 15.955 -8.769 -8.772 1.00 70.12 C ATOM 669 CG LEU A 43 15.400 -8.895 -7.353 1.00 22.31 C ATOM 670 CD1 LEU A 43 13.933 -9.295 -7.387 1.00 1.53 C ATOM 671 CD2 LEU A 43 16.211 -9.903 -6.551 1.00 72.10 C ATOM 0 H LEU A 43 17.934 -10.120 -10.020 1.00 75.34 H new ATOM 0 HA LEU A 43 15.146 -10.714 -9.205 1.00 45.32 H new ATOM 0 HB2 LEU A 43 17.000 -8.465 -8.706 1.00 70.12 H new ATOM 0 HB3 LEU A 43 15.420 -7.966 -9.280 1.00 70.12 H new ATOM 0 HG LEU A 43 15.479 -7.924 -6.865 1.00 22.31 H new ATOM 0 HD11 LEU A 43 13.555 -9.380 -6.368 1.00 1.53 H new ATOM 0 HD12 LEU A 43 13.362 -8.538 -7.924 1.00 1.53 H new ATOM 0 HD13 LEU A 43 13.829 -10.255 -7.893 1.00 1.53 H new ATOM 0 HD21 LEU A 43 15.802 -9.980 -5.544 1.00 72.10 H new ATOM 0 HD22 LEU A 43 16.164 -10.877 -7.037 1.00 72.10 H new ATOM 0 HD23 LEU A 43 17.249 -9.574 -6.497 1.00 72.10 H new ATOM 683 N ILE A 44 14.263 -10.199 -11.444 1.00 60.11 N ATOM 684 CA ILE A 44 13.709 -9.925 -12.764 1.00 70.42 C ATOM 685 C ILE A 44 12.219 -9.612 -12.681 1.00 31.11 C ATOM 686 O ILE A 44 11.487 -10.226 -11.904 1.00 0.40 O ATOM 687 CB ILE A 44 13.919 -11.114 -13.721 1.00 24.14 C ATOM 688 CG1 ILE A 44 15.412 -11.414 -13.875 1.00 73.34 C ATOM 689 CG2 ILE A 44 13.289 -10.823 -15.074 1.00 50.12 C ATOM 690 CD1 ILE A 44 15.704 -12.552 -14.829 1.00 15.03 C ATOM 0 H ILE A 44 13.699 -10.828 -10.872 1.00 60.11 H new ATOM 0 HA ILE A 44 14.239 -9.056 -13.154 1.00 70.42 H new ATOM 0 HB ILE A 44 13.432 -11.993 -13.298 1.00 24.14 H new ATOM 0 HG12 ILE A 44 15.920 -10.516 -14.227 1.00 73.34 H new ATOM 0 HG13 ILE A 44 15.829 -11.654 -12.897 1.00 73.34 H new ATOM 0 HG21 ILE A 44 13.446 -11.672 -15.739 1.00 50.12 H new ATOM 0 HG22 ILE A 44 12.220 -10.653 -14.948 1.00 50.12 H new ATOM 0 HG23 ILE A 44 13.749 -9.934 -15.506 1.00 50.12 H new ATOM 0 HD11 ILE A 44 16.781 -12.709 -14.889 1.00 15.03 H new ATOM 0 HD12 ILE A 44 15.224 -13.462 -14.468 1.00 15.03 H new ATOM 0 HD13 ILE A 44 15.317 -12.306 -15.818 1.00 15.03 H new ATOM 702 N PHE A 45 11.775 -8.654 -13.488 1.00 4.01 N ATOM 703 CA PHE A 45 10.372 -8.259 -13.507 1.00 33.14 C ATOM 704 C PHE A 45 9.801 -8.347 -14.919 1.00 33.22 C ATOM 705 O PHE A 45 10.135 -7.541 -15.786 1.00 52.13 O ATOM 706 CB PHE A 45 10.213 -6.836 -12.968 1.00 42.31 C ATOM 707 CG PHE A 45 8.781 -6.420 -12.786 1.00 45.44 C ATOM 708 CD1 PHE A 45 8.193 -6.444 -11.532 1.00 51.34 C ATOM 709 CD2 PHE A 45 8.024 -6.005 -13.870 1.00 0.30 C ATOM 710 CE1 PHE A 45 6.876 -6.061 -11.362 1.00 13.04 C ATOM 711 CE2 PHE A 45 6.707 -5.620 -13.705 1.00 73.53 C ATOM 712 CZ PHE A 45 6.131 -5.650 -12.450 1.00 5.21 C ATOM 0 H PHE A 45 12.367 -8.137 -14.138 1.00 4.01 H new ATOM 0 HA PHE A 45 9.819 -8.946 -12.867 1.00 33.14 H new ATOM 0 HB2 PHE A 45 10.730 -6.759 -12.011 1.00 42.31 H new ATOM 0 HB3 PHE A 45 10.701 -6.141 -13.651 1.00 42.31 H new ATOM 0 HD1 PHE A 45 8.770 -6.766 -10.678 1.00 51.34 H new ATOM 0 HD2 PHE A 45 8.468 -5.982 -14.854 1.00 0.30 H new ATOM 0 HE1 PHE A 45 6.430 -6.083 -10.379 1.00 13.04 H new ATOM 0 HE2 PHE A 45 6.128 -5.296 -14.557 1.00 73.53 H new ATOM 0 HZ PHE A 45 5.101 -5.353 -12.320 1.00 5.21 H new ATOM 722 N ALA A 46 8.938 -9.333 -15.141 1.00 72.23 N ATOM 723 CA ALA A 46 8.319 -9.527 -16.447 1.00 11.33 C ATOM 724 C ALA A 46 9.364 -9.857 -17.506 1.00 45.04 C ATOM 725 O ALA A 46 9.202 -9.522 -18.679 1.00 13.52 O ATOM 726 CB ALA A 46 7.532 -8.287 -16.847 1.00 23.32 C ATOM 0 H ALA A 46 8.652 -10.010 -14.434 1.00 72.23 H new ATOM 0 HA ALA A 46 7.634 -10.372 -16.375 1.00 11.33 H new ATOM 0 HB1 ALA A 46 7.075 -8.445 -17.824 1.00 23.32 H new ATOM 0 HB2 ALA A 46 6.753 -8.097 -16.109 1.00 23.32 H new ATOM 0 HB3 ALA A 46 8.203 -7.430 -16.895 1.00 23.32 H new ATOM 732 N GLY A 47 10.440 -10.517 -17.085 1.00 54.44 N ATOM 733 CA GLY A 47 11.496 -10.880 -18.011 1.00 64.21 C ATOM 734 C GLY A 47 12.579 -9.822 -18.100 1.00 75.40 C ATOM 735 O GLY A 47 13.626 -10.044 -18.707 1.00 64.42 O ATOM 0 H GLY A 47 10.598 -10.806 -16.120 1.00 54.44 H new ATOM 0 HA2 GLY A 47 11.940 -11.825 -17.698 1.00 64.21 H new ATOM 0 HA3 GLY A 47 11.068 -11.041 -19.000 1.00 64.21 H new ATOM 739 N LYS A 48 12.325 -8.667 -17.495 1.00 4.02 N ATOM 740 CA LYS A 48 13.285 -7.569 -17.508 1.00 22.42 C ATOM 741 C LYS A 48 14.162 -7.599 -16.260 1.00 45.04 C ATOM 742 O LYS A 48 13.664 -7.514 -15.139 1.00 12.15 O ATOM 743 CB LYS A 48 12.555 -6.227 -17.599 1.00 63.52 C ATOM 744 CG LYS A 48 11.746 -6.061 -18.874 1.00 0.23 C ATOM 745 CD LYS A 48 12.639 -5.759 -20.066 1.00 32.03 C ATOM 746 CE LYS A 48 13.129 -4.319 -20.044 1.00 62.44 C ATOM 747 NZ LYS A 48 12.011 -3.350 -20.206 1.00 15.13 N ATOM 0 H LYS A 48 11.462 -8.467 -16.989 1.00 4.02 H new ATOM 0 HA LYS A 48 13.924 -7.688 -18.383 1.00 22.42 H new ATOM 0 HB2 LYS A 48 11.891 -6.125 -16.741 1.00 63.52 H new ATOM 0 HB3 LYS A 48 13.285 -5.420 -17.534 1.00 63.52 H new ATOM 0 HG2 LYS A 48 11.177 -6.971 -19.066 1.00 0.23 H new ATOM 0 HG3 LYS A 48 11.024 -5.254 -18.745 1.00 0.23 H new ATOM 0 HD2 LYS A 48 13.494 -6.435 -20.062 1.00 32.03 H new ATOM 0 HD3 LYS A 48 12.090 -5.944 -20.989 1.00 32.03 H new ATOM 0 HE2 LYS A 48 13.644 -4.125 -19.103 1.00 62.44 H new ATOM 0 HE3 LYS A 48 13.856 -4.171 -20.842 1.00 62.44 H new ATOM 0 HZ1 LYS A 48 12.212 -2.718 -21.007 1.00 15.13 H new ATOM 0 HZ2 LYS A 48 11.127 -3.867 -20.386 1.00 15.13 H new ATOM 0 HZ3 LYS A 48 11.911 -2.786 -19.338 1.00 15.13 H new ATOM 761 N GLN A 49 15.470 -7.719 -16.465 1.00 3.31 N ATOM 762 CA GLN A 49 16.416 -7.758 -15.356 1.00 31.43 C ATOM 763 C GLN A 49 16.729 -6.352 -14.856 1.00 54.34 C ATOM 764 O GLN A 49 17.293 -5.534 -15.584 1.00 65.34 O ATOM 765 CB GLN A 49 17.707 -8.459 -15.783 1.00 74.31 C ATOM 766 CG GLN A 49 18.320 -7.885 -17.050 1.00 72.42 C ATOM 767 CD GLN A 49 19.785 -7.533 -16.882 1.00 15.11 C ATOM 768 OE1 GLN A 49 20.219 -7.136 -15.800 1.00 63.52 O ATOM 769 NE2 GLN A 49 20.555 -7.676 -17.954 1.00 1.11 N ATOM 0 H GLN A 49 15.898 -7.791 -17.388 1.00 3.31 H new ATOM 0 HA GLN A 49 15.958 -8.319 -14.542 1.00 31.43 H new ATOM 0 HB2 GLN A 49 18.434 -8.389 -14.974 1.00 74.31 H new ATOM 0 HB3 GLN A 49 17.502 -9.519 -15.936 1.00 74.31 H new ATOM 0 HG2 GLN A 49 18.214 -8.607 -17.860 1.00 72.42 H new ATOM 0 HG3 GLN A 49 17.767 -6.993 -17.345 1.00 72.42 H new ATOM 0 HE21 GLN A 49 20.153 -8.008 -18.830 1.00 1.11 H new ATOM 0 HE22 GLN A 49 21.549 -7.454 -17.901 1.00 1.11 H new ATOM 778 N LEU A 50 16.358 -6.075 -13.611 1.00 71.40 N ATOM 779 CA LEU A 50 16.599 -4.766 -13.014 1.00 34.54 C ATOM 780 C LEU A 50 17.858 -4.784 -12.154 1.00 2.34 C ATOM 781 O LEU A 50 18.343 -5.847 -11.768 1.00 14.14 O ATOM 782 CB LEU A 50 15.396 -4.341 -12.169 1.00 44.30 C ATOM 783 CG LEU A 50 14.092 -4.102 -12.930 1.00 71.23 C ATOM 784 CD1 LEU A 50 13.366 -5.417 -13.170 1.00 41.15 C ATOM 785 CD2 LEU A 50 13.201 -3.130 -12.171 1.00 21.13 C ATOM 0 H LEU A 50 15.889 -6.739 -12.995 1.00 71.40 H new ATOM 0 HA LEU A 50 16.742 -4.046 -13.820 1.00 34.54 H new ATOM 0 HB2 LEU A 50 15.218 -5.108 -11.415 1.00 44.30 H new ATOM 0 HB3 LEU A 50 15.656 -3.426 -11.637 1.00 44.30 H new ATOM 0 HG LEU A 50 14.334 -3.662 -13.897 1.00 71.23 H new ATOM 0 HD11 LEU A 50 12.440 -5.228 -13.713 1.00 41.15 H new ATOM 0 HD12 LEU A 50 14.001 -6.081 -13.756 1.00 41.15 H new ATOM 0 HD13 LEU A 50 13.136 -5.886 -12.213 1.00 41.15 H new ATOM 0 HD21 LEU A 50 12.277 -2.972 -12.728 1.00 21.13 H new ATOM 0 HD22 LEU A 50 12.967 -3.542 -11.189 1.00 21.13 H new ATOM 0 HD23 LEU A 50 13.720 -2.179 -12.051 1.00 21.13 H new ATOM 797 N GLU A 51 18.382 -3.598 -11.856 1.00 33.51 N ATOM 798 CA GLU A 51 19.584 -3.478 -11.040 1.00 22.50 C ATOM 799 C GLU A 51 19.227 -3.199 -9.583 1.00 24.52 C ATOM 800 O GLU A 51 18.093 -2.837 -9.269 1.00 25.13 O ATOM 801 CB GLU A 51 20.484 -2.364 -11.579 1.00 33.04 C ATOM 802 CG GLU A 51 21.556 -2.857 -12.535 1.00 44.44 C ATOM 803 CD GLU A 51 22.727 -1.898 -12.643 1.00 73.41 C ATOM 804 OE1 GLU A 51 23.676 -2.031 -11.843 1.00 4.53 O ATOM 805 OE2 GLU A 51 22.693 -1.017 -13.527 1.00 1.23 O ATOM 0 H GLU A 51 17.993 -2.708 -12.168 1.00 33.51 H new ATOM 0 HA GLU A 51 20.122 -4.425 -11.089 1.00 22.50 H new ATOM 0 HB2 GLU A 51 19.867 -1.624 -12.089 1.00 33.04 H new ATOM 0 HB3 GLU A 51 20.962 -1.857 -10.741 1.00 33.04 H new ATOM 0 HG2 GLU A 51 21.917 -3.829 -12.200 1.00 44.44 H new ATOM 0 HG3 GLU A 51 21.118 -3.003 -13.522 1.00 44.44 H new ATOM 812 N ASP A 52 20.203 -3.372 -8.698 1.00 11.43 N ATOM 813 CA ASP A 52 19.993 -3.138 -7.274 1.00 22.24 C ATOM 814 C ASP A 52 19.663 -1.673 -7.006 1.00 33.21 C ATOM 815 O ASP A 52 19.054 -1.340 -5.989 1.00 42.42 O ATOM 816 CB ASP A 52 21.235 -3.547 -6.480 1.00 20.03 C ATOM 817 CG ASP A 52 21.284 -5.038 -6.208 1.00 51.25 C ATOM 818 OD1 ASP A 52 20.940 -5.447 -5.080 1.00 22.43 O ATOM 819 OD2 ASP A 52 21.665 -5.795 -7.125 1.00 40.02 O ATOM 0 H ASP A 52 21.147 -3.673 -8.942 1.00 11.43 H new ATOM 0 HA ASP A 52 19.148 -3.747 -6.952 1.00 22.24 H new ATOM 0 HB2 ASP A 52 22.128 -3.252 -7.031 1.00 20.03 H new ATOM 0 HB3 ASP A 52 21.251 -3.007 -5.533 1.00 20.03 H new ATOM 824 N SER A 53 20.069 -0.803 -7.925 1.00 12.34 N ATOM 825 CA SER A 53 19.820 0.627 -7.785 1.00 42.44 C ATOM 826 C SER A 53 18.613 1.052 -8.616 1.00 43.44 C ATOM 827 O SER A 53 18.487 2.215 -9.000 1.00 41.35 O ATOM 828 CB SER A 53 21.054 1.425 -8.212 1.00 70.04 C ATOM 829 OG SER A 53 22.209 0.989 -7.517 1.00 61.40 O ATOM 0 H SER A 53 20.571 -1.063 -8.774 1.00 12.34 H new ATOM 0 HA SER A 53 19.608 0.833 -6.736 1.00 42.44 H new ATOM 0 HB2 SER A 53 21.209 1.315 -9.285 1.00 70.04 H new ATOM 0 HB3 SER A 53 20.889 2.485 -8.021 1.00 70.04 H new ATOM 0 HG SER A 53 22.984 1.513 -7.809 1.00 61.40 H new ATOM 835 N LYS A 54 17.727 0.101 -8.891 1.00 24.13 N ATOM 836 CA LYS A 54 16.529 0.374 -9.675 1.00 32.12 C ATOM 837 C LYS A 54 15.275 -0.052 -8.918 1.00 12.31 C ATOM 838 O LYS A 54 15.039 -1.242 -8.705 1.00 11.53 O ATOM 839 CB LYS A 54 16.597 -0.354 -11.019 1.00 44.34 C ATOM 840 CG LYS A 54 17.843 -0.027 -11.825 1.00 22.53 C ATOM 841 CD LYS A 54 17.651 1.221 -12.669 1.00 14.22 C ATOM 842 CE LYS A 54 17.972 2.482 -11.881 1.00 22.23 C ATOM 843 NZ LYS A 54 18.243 3.641 -12.775 1.00 42.12 N ATOM 0 H LYS A 54 17.816 -0.867 -8.582 1.00 24.13 H new ATOM 0 HA LYS A 54 16.478 1.448 -9.853 1.00 32.12 H new ATOM 0 HB2 LYS A 54 16.560 -1.429 -10.843 1.00 44.34 H new ATOM 0 HB3 LYS A 54 15.716 -0.097 -11.607 1.00 44.34 H new ATOM 0 HG2 LYS A 54 18.687 0.116 -11.150 1.00 22.53 H new ATOM 0 HG3 LYS A 54 18.091 -0.869 -12.471 1.00 22.53 H new ATOM 0 HD2 LYS A 54 18.291 1.168 -13.549 1.00 14.22 H new ATOM 0 HD3 LYS A 54 16.622 1.266 -13.026 1.00 14.22 H new ATOM 0 HE2 LYS A 54 17.138 2.720 -11.221 1.00 22.23 H new ATOM 0 HE3 LYS A 54 18.840 2.302 -11.246 1.00 22.23 H new ATOM 0 HZ1 LYS A 54 18.457 4.480 -12.200 1.00 42.12 H new ATOM 0 HZ2 LYS A 54 19.055 3.424 -13.388 1.00 42.12 H new ATOM 0 HZ3 LYS A 54 17.406 3.829 -13.363 1.00 42.12 H new ATOM 857 N THR A 55 14.471 0.928 -8.515 1.00 23.35 N ATOM 858 CA THR A 55 13.241 0.654 -7.782 1.00 3.50 C ATOM 859 C THR A 55 12.080 0.397 -8.735 1.00 15.23 C ATOM 860 O THR A 55 12.222 0.525 -9.950 1.00 72.24 O ATOM 861 CB THR A 55 12.874 1.821 -6.846 1.00 0.31 C ATOM 862 OG1 THR A 55 13.805 2.896 -7.015 1.00 13.44 O ATOM 863 CG2 THR A 55 12.871 1.369 -5.393 1.00 43.53 C ATOM 0 H THR A 55 14.650 1.918 -8.684 1.00 23.35 H new ATOM 0 HA THR A 55 13.421 -0.239 -7.184 1.00 3.50 H new ATOM 0 HB THR A 55 11.872 2.165 -7.105 1.00 0.31 H new ATOM 0 HG1 THR A 55 13.776 3.481 -6.229 1.00 13.44 H new ATOM 0 HG21 THR A 55 12.609 2.210 -4.751 1.00 43.53 H new ATOM 0 HG22 THR A 55 12.140 0.571 -5.262 1.00 43.53 H new ATOM 0 HG23 THR A 55 13.861 1.002 -5.124 1.00 43.53 H new ATOM 871 N MET A 56 10.930 0.035 -8.175 1.00 21.14 N ATOM 872 CA MET A 56 9.743 -0.238 -8.976 1.00 34.42 C ATOM 873 C MET A 56 9.170 1.051 -9.556 1.00 33.22 C ATOM 874 O MET A 56 8.776 1.097 -10.721 1.00 30.12 O ATOM 875 CB MET A 56 8.682 -0.946 -8.130 1.00 64.30 C ATOM 876 CG MET A 56 9.149 -2.276 -7.559 1.00 14.42 C ATOM 877 SD MET A 56 9.554 -3.478 -8.840 1.00 34.22 S ATOM 878 CE MET A 56 10.376 -4.741 -7.871 1.00 51.41 C ATOM 0 H MET A 56 10.795 -0.076 -7.170 1.00 21.14 H new ATOM 0 HA MET A 56 10.034 -0.889 -9.801 1.00 34.42 H new ATOM 0 HB2 MET A 56 8.386 -0.291 -7.310 1.00 64.30 H new ATOM 0 HB3 MET A 56 7.794 -1.113 -8.740 1.00 64.30 H new ATOM 0 HG2 MET A 56 10.025 -2.110 -6.932 1.00 14.42 H new ATOM 0 HG3 MET A 56 8.369 -2.685 -6.916 1.00 14.42 H new ATOM 0 HE1 MET A 56 10.278 -5.705 -8.371 1.00 51.41 H new ATOM 0 HE2 MET A 56 11.432 -4.491 -7.769 1.00 51.41 H new ATOM 0 HE3 MET A 56 9.919 -4.796 -6.883 1.00 51.41 H new ATOM 888 N ALA A 57 9.126 2.095 -8.735 1.00 51.44 N ATOM 889 CA ALA A 57 8.603 3.385 -9.168 1.00 53.21 C ATOM 890 C ALA A 57 9.344 3.893 -10.400 1.00 73.24 C ATOM 891 O ALA A 57 8.797 4.660 -11.193 1.00 72.42 O ATOM 892 CB ALA A 57 8.698 4.399 -8.038 1.00 14.32 C ATOM 0 H ALA A 57 9.446 2.073 -7.767 1.00 51.44 H new ATOM 0 HA ALA A 57 7.555 3.252 -9.436 1.00 53.21 H new ATOM 0 HB1 ALA A 57 8.304 5.358 -8.375 1.00 14.32 H new ATOM 0 HB2 ALA A 57 8.118 4.048 -7.185 1.00 14.32 H new ATOM 0 HB3 ALA A 57 9.741 4.519 -7.743 1.00 14.32 H new ATOM 898 N ASP A 58 10.590 3.461 -10.555 1.00 5.13 N ATOM 899 CA ASP A 58 11.407 3.872 -11.691 1.00 73.22 C ATOM 900 C ASP A 58 10.874 3.271 -12.988 1.00 71.22 C ATOM 901 O ASP A 58 10.842 3.935 -14.025 1.00 34.24 O ATOM 902 CB ASP A 58 12.862 3.451 -11.480 1.00 11.32 C ATOM 903 CG ASP A 58 13.802 4.095 -12.480 1.00 73.33 C ATOM 904 OD1 ASP A 58 14.418 5.126 -12.138 1.00 70.20 O ATOM 905 OD2 ASP A 58 13.922 3.567 -13.605 1.00 73.34 O ATOM 0 H ASP A 58 11.057 2.826 -9.908 1.00 5.13 H new ATOM 0 HA ASP A 58 11.359 4.958 -11.767 1.00 73.22 H new ATOM 0 HB2 ASP A 58 13.172 3.719 -10.470 1.00 11.32 H new ATOM 0 HB3 ASP A 58 12.939 2.367 -11.560 1.00 11.32 H new ATOM 910 N TYR A 59 10.458 2.011 -12.923 1.00 63.14 N ATOM 911 CA TYR A 59 9.930 1.319 -14.093 1.00 43.12 C ATOM 912 C TYR A 59 8.437 1.587 -14.257 1.00 22.33 C ATOM 913 O TYR A 59 7.798 1.066 -15.170 1.00 24.11 O ATOM 914 CB TYR A 59 10.180 -0.186 -13.978 1.00 45.50 C ATOM 915 CG TYR A 59 11.569 -0.603 -14.405 1.00 45.14 C ATOM 916 CD1 TYR A 59 11.767 -1.349 -15.561 1.00 21.12 C ATOM 917 CD2 TYR A 59 12.684 -0.252 -13.654 1.00 31.14 C ATOM 918 CE1 TYR A 59 13.034 -1.733 -15.955 1.00 22.31 C ATOM 919 CE2 TYR A 59 13.955 -0.631 -14.041 1.00 13.42 C ATOM 920 CZ TYR A 59 14.125 -1.371 -15.192 1.00 32.31 C ATOM 921 OH TYR A 59 15.389 -1.752 -15.580 1.00 50.53 O ATOM 0 H TYR A 59 10.476 1.448 -12.073 1.00 63.14 H new ATOM 0 HA TYR A 59 10.448 1.700 -14.973 1.00 43.12 H new ATOM 0 HB2 TYR A 59 10.018 -0.495 -12.945 1.00 45.50 H new ATOM 0 HB3 TYR A 59 9.447 -0.715 -14.587 1.00 45.50 H new ATOM 0 HD1 TYR A 59 10.916 -1.633 -16.161 1.00 21.12 H new ATOM 0 HD2 TYR A 59 12.555 0.327 -12.752 1.00 31.14 H new ATOM 0 HE1 TYR A 59 13.170 -2.314 -16.856 1.00 22.31 H new ATOM 0 HE2 TYR A 59 14.811 -0.349 -13.445 1.00 13.42 H new ATOM 0 HH TYR A 59 16.045 -1.415 -14.934 1.00 50.53 H new ATOM 931 N ASN A 60 7.888 2.404 -13.364 1.00 20.12 N ATOM 932 CA ASN A 60 6.470 2.742 -13.408 1.00 1.12 C ATOM 933 C ASN A 60 5.608 1.497 -13.224 1.00 71.22 C ATOM 934 O ASN A 60 4.482 1.431 -13.718 1.00 70.15 O ATOM 935 CB ASN A 60 6.128 3.422 -14.735 1.00 15.10 C ATOM 936 CG ASN A 60 7.024 4.611 -15.024 1.00 33.13 C ATOM 937 OD1 ASN A 60 8.138 4.455 -15.523 1.00 4.34 O ATOM 938 ND2 ASN A 60 6.539 5.807 -14.710 1.00 23.21 N ATOM 0 H ASN A 60 8.403 2.844 -12.602 1.00 20.12 H new ATOM 0 HA ASN A 60 6.260 3.431 -12.590 1.00 1.12 H new ATOM 0 HB2 ASN A 60 6.218 2.698 -15.545 1.00 15.10 H new ATOM 0 HB3 ASN A 60 5.089 3.750 -14.715 1.00 15.10 H new ATOM 0 HD21 ASN A 60 7.096 6.644 -14.881 1.00 23.21 H new ATOM 0 HD22 ASN A 60 5.610 5.888 -14.298 1.00 23.21 H new ATOM 945 N ILE A 61 6.144 0.513 -12.510 1.00 70.23 N ATOM 946 CA ILE A 61 5.423 -0.729 -12.260 1.00 62.11 C ATOM 947 C ILE A 61 4.995 -0.832 -10.800 1.00 43.20 C ATOM 948 O ILE A 61 5.832 -0.945 -9.905 1.00 23.10 O ATOM 949 CB ILE A 61 6.278 -1.959 -12.621 1.00 11.44 C ATOM 950 CG1 ILE A 61 7.703 -1.790 -12.090 1.00 11.33 C ATOM 951 CG2 ILE A 61 6.290 -2.172 -14.127 1.00 32.12 C ATOM 952 CD1 ILE A 61 8.602 -2.969 -12.386 1.00 70.42 C ATOM 0 H ILE A 61 7.075 0.552 -12.095 1.00 70.23 H new ATOM 0 HA ILE A 61 4.537 -0.713 -12.895 1.00 62.11 H new ATOM 0 HB ILE A 61 5.838 -2.839 -12.153 1.00 11.44 H new ATOM 0 HG12 ILE A 61 8.140 -0.892 -12.526 1.00 11.33 H new ATOM 0 HG13 ILE A 61 7.664 -1.635 -11.012 1.00 11.33 H new ATOM 0 HG21 ILE A 61 6.898 -3.044 -14.366 1.00 32.12 H new ATOM 0 HG22 ILE A 61 5.271 -2.332 -14.480 1.00 32.12 H new ATOM 0 HG23 ILE A 61 6.709 -1.292 -14.616 1.00 32.12 H new ATOM 0 HD11 ILE A 61 9.596 -2.780 -11.981 1.00 70.42 H new ATOM 0 HD12 ILE A 61 8.188 -3.867 -11.927 1.00 70.42 H new ATOM 0 HD13 ILE A 61 8.671 -3.112 -13.464 1.00 70.42 H new ATOM 964 N GLN A 62 3.687 -0.793 -10.568 1.00 62.03 N ATOM 965 CA GLN A 62 3.148 -0.883 -9.216 1.00 44.14 C ATOM 966 C GLN A 62 1.694 -1.341 -9.239 1.00 71.14 C ATOM 967 O GLN A 62 1.166 -1.715 -10.287 1.00 20.42 O ATOM 968 CB GLN A 62 3.258 0.469 -8.510 1.00 4.31 C ATOM 969 CG GLN A 62 4.110 0.431 -7.251 1.00 60.33 C ATOM 970 CD GLN A 62 3.598 1.363 -6.171 1.00 41.33 C ATOM 971 OE1 GLN A 62 4.023 2.515 -6.077 1.00 50.21 O ATOM 972 NE2 GLN A 62 2.680 0.870 -5.349 1.00 31.31 N ATOM 0 H GLN A 62 2.981 -0.700 -11.298 1.00 62.03 H new ATOM 0 HA GLN A 62 3.733 -1.621 -8.667 1.00 44.14 H new ATOM 0 HB2 GLN A 62 3.680 1.198 -9.202 1.00 4.31 H new ATOM 0 HB3 GLN A 62 2.258 0.817 -8.251 1.00 4.31 H new ATOM 0 HG2 GLN A 62 4.135 -0.588 -6.864 1.00 60.33 H new ATOM 0 HG3 GLN A 62 5.135 0.701 -7.503 1.00 60.33 H new ATOM 0 HE21 GLN A 62 2.356 -0.090 -5.463 1.00 31.31 H new ATOM 0 HE22 GLN A 62 2.298 1.452 -4.603 1.00 31.31 H new ATOM 981 N LYS A 63 1.050 -1.310 -8.077 1.00 44.54 N ATOM 982 CA LYS A 63 -0.344 -1.720 -7.963 1.00 21.51 C ATOM 983 C LYS A 63 -0.520 -3.173 -8.395 1.00 54.40 C ATOM 984 O LYS A 63 -0.956 -3.448 -9.513 1.00 3.05 O ATOM 985 CB LYS A 63 -1.236 -0.812 -8.812 1.00 70.43 C ATOM 986 CG LYS A 63 -1.156 0.654 -8.424 1.00 74.14 C ATOM 987 CD LYS A 63 -1.092 1.552 -9.648 1.00 72.14 C ATOM 988 CE LYS A 63 -0.781 2.991 -9.268 1.00 1.30 C ATOM 989 NZ LYS A 63 0.511 3.105 -8.536 1.00 62.53 N ATOM 0 H LYS A 63 1.472 -1.005 -7.200 1.00 44.54 H new ATOM 0 HA LYS A 63 -0.639 -1.632 -6.917 1.00 21.51 H new ATOM 0 HB2 LYS A 63 -0.955 -0.918 -9.860 1.00 70.43 H new ATOM 0 HB3 LYS A 63 -2.270 -1.147 -8.724 1.00 70.43 H new ATOM 0 HG2 LYS A 63 -2.025 0.920 -7.822 1.00 74.14 H new ATOM 0 HG3 LYS A 63 -0.275 0.820 -7.804 1.00 74.14 H new ATOM 0 HD2 LYS A 63 -0.328 1.182 -10.332 1.00 72.14 H new ATOM 0 HD3 LYS A 63 -2.043 1.512 -10.180 1.00 72.14 H new ATOM 0 HE2 LYS A 63 -0.744 3.604 -10.168 1.00 1.30 H new ATOM 0 HE3 LYS A 63 -1.586 3.385 -8.647 1.00 1.30 H new ATOM 0 HZ1 LYS A 63 0.813 4.100 -8.517 1.00 62.53 H new ATOM 0 HZ2 LYS A 63 0.389 2.762 -7.562 1.00 62.53 H new ATOM 0 HZ3 LYS A 63 1.234 2.533 -9.017 1.00 62.53 H new ATOM 1003 N GLU A 64 -0.181 -4.097 -7.502 1.00 2.33 N ATOM 1004 CA GLU A 64 -0.303 -5.520 -7.792 1.00 70.43 C ATOM 1005 C GLU A 64 0.611 -5.920 -8.947 1.00 71.50 C ATOM 1006 O GLU A 64 0.366 -6.914 -9.631 1.00 22.53 O ATOM 1007 CB GLU A 64 -1.753 -5.872 -8.130 1.00 34.01 C ATOM 1008 CG GLU A 64 -2.769 -5.218 -7.208 1.00 23.44 C ATOM 1009 CD GLU A 64 -4.060 -6.007 -7.109 1.00 70.11 C ATOM 1010 OE1 GLU A 64 -4.285 -6.885 -7.968 1.00 72.04 O ATOM 1011 OE2 GLU A 64 -4.845 -5.747 -6.174 1.00 11.33 O ATOM 0 H GLU A 64 0.180 -3.885 -6.572 1.00 2.33 H new ATOM 0 HA GLU A 64 -0.000 -6.073 -6.903 1.00 70.43 H new ATOM 0 HB2 GLU A 64 -1.961 -5.572 -9.157 1.00 34.01 H new ATOM 0 HB3 GLU A 64 -1.876 -6.954 -8.083 1.00 34.01 H new ATOM 0 HG2 GLU A 64 -2.336 -5.111 -6.214 1.00 23.44 H new ATOM 0 HG3 GLU A 64 -2.988 -4.213 -7.570 1.00 23.44 H new ATOM 1018 N SER A 65 1.665 -5.138 -9.158 1.00 74.33 N ATOM 1019 CA SER A 65 2.613 -5.408 -10.233 1.00 2.54 C ATOM 1020 C SER A 65 3.066 -6.864 -10.205 1.00 23.11 C ATOM 1021 O SER A 65 3.318 -7.429 -9.140 1.00 11.11 O ATOM 1022 CB SER A 65 3.826 -4.482 -10.115 1.00 33.03 C ATOM 1023 OG SER A 65 3.945 -3.963 -8.802 1.00 2.15 O ATOM 0 H SER A 65 1.884 -4.313 -8.599 1.00 74.33 H new ATOM 0 HA SER A 65 2.112 -5.220 -11.183 1.00 2.54 H new ATOM 0 HB2 SER A 65 4.732 -5.029 -10.377 1.00 33.03 H new ATOM 0 HB3 SER A 65 3.732 -3.662 -10.827 1.00 33.03 H new ATOM 0 HG SER A 65 4.808 -3.508 -8.707 1.00 2.15 H new ATOM 1029 N THR A 66 3.168 -7.468 -11.385 1.00 24.11 N ATOM 1030 CA THR A 66 3.590 -8.859 -11.498 1.00 14.23 C ATOM 1031 C THR A 66 5.109 -8.976 -11.476 1.00 63.45 C ATOM 1032 O THR A 66 5.790 -8.534 -12.403 1.00 55.31 O ATOM 1033 CB THR A 66 3.054 -9.505 -12.789 1.00 40.03 C ATOM 1034 OG1 THR A 66 1.622 -9.474 -12.796 1.00 4.54 O ATOM 1035 CG2 THR A 66 3.535 -10.943 -12.915 1.00 3.40 C ATOM 0 H THR A 66 2.964 -7.016 -12.276 1.00 24.11 H new ATOM 0 HA THR A 66 3.176 -9.386 -10.638 1.00 14.23 H new ATOM 0 HB THR A 66 3.433 -8.935 -13.637 1.00 40.03 H new ATOM 0 HG1 THR A 66 1.290 -9.885 -13.621 1.00 4.54 H new ATOM 0 HG21 THR A 66 3.144 -11.378 -13.834 1.00 3.40 H new ATOM 0 HG22 THR A 66 4.625 -10.961 -12.940 1.00 3.40 H new ATOM 0 HG23 THR A 66 3.182 -11.521 -12.061 1.00 3.40 H new ATOM 1043 N LEU A 67 5.637 -9.576 -10.415 1.00 13.12 N ATOM 1044 CA LEU A 67 7.078 -9.753 -10.273 1.00 51.34 C ATOM 1045 C LEU A 67 7.494 -11.167 -10.665 1.00 30.03 C ATOM 1046 O LEU A 67 6.675 -12.087 -10.670 1.00 65.15 O ATOM 1047 CB LEU A 67 7.508 -9.462 -8.835 1.00 4.14 C ATOM 1048 CG LEU A 67 8.945 -8.971 -8.650 1.00 71.40 C ATOM 1049 CD1 LEU A 67 9.023 -7.963 -7.514 1.00 71.31 C ATOM 1050 CD2 LEU A 67 9.880 -10.144 -8.390 1.00 55.11 C ATOM 0 H LEU A 67 5.088 -9.948 -9.640 1.00 13.12 H new ATOM 0 HA LEU A 67 7.574 -9.050 -10.943 1.00 51.34 H new ATOM 0 HB2 LEU A 67 6.833 -8.713 -8.420 1.00 4.14 H new ATOM 0 HB3 LEU A 67 7.377 -10.370 -8.247 1.00 4.14 H new ATOM 0 HG LEU A 67 9.261 -8.477 -9.569 1.00 71.40 H new ATOM 0 HD11 LEU A 67 10.053 -7.625 -7.397 1.00 71.31 H new ATOM 0 HD12 LEU A 67 8.384 -7.109 -7.741 1.00 71.31 H new ATOM 0 HD13 LEU A 67 8.688 -8.431 -6.588 1.00 71.31 H new ATOM 0 HD21 LEU A 67 10.898 -9.776 -8.261 1.00 55.11 H new ATOM 0 HD22 LEU A 67 9.566 -10.667 -7.487 1.00 55.11 H new ATOM 0 HD23 LEU A 67 9.847 -10.830 -9.236 1.00 55.11 H new ATOM 1062 N HIS A 68 8.772 -11.334 -10.990 1.00 1.15 N ATOM 1063 CA HIS A 68 9.298 -12.637 -11.379 1.00 70.35 C ATOM 1064 C HIS A 68 10.454 -13.050 -10.473 1.00 72.11 C ATOM 1065 O HIS A 68 11.436 -12.322 -10.333 1.00 13.30 O ATOM 1066 CB HIS A 68 9.762 -12.609 -12.836 1.00 51.41 C ATOM 1067 CG HIS A 68 8.698 -13.010 -13.811 1.00 65.04 C ATOM 1068 ND1 HIS A 68 8.947 -13.804 -14.911 1.00 51.54 N ATOM 1069 CD2 HIS A 68 7.376 -12.724 -13.846 1.00 71.24 C ATOM 1070 CE1 HIS A 68 7.823 -13.987 -15.582 1.00 25.02 C ATOM 1071 NE2 HIS A 68 6.855 -13.343 -14.956 1.00 51.22 N ATOM 0 H HIS A 68 9.462 -10.583 -10.992 1.00 1.15 H new ATOM 0 HA HIS A 68 8.498 -13.370 -11.274 1.00 70.35 H new ATOM 0 HB2 HIS A 68 10.107 -11.604 -13.080 1.00 51.41 H new ATOM 0 HB3 HIS A 68 10.617 -13.275 -12.949 1.00 51.41 H new ATOM 0 HD2 HIS A 68 6.832 -12.121 -13.134 1.00 71.24 H new ATOM 0 HE1 HIS A 68 7.715 -14.565 -16.488 1.00 25.02 H new ATOM 0 HE2 HIS A 68 5.879 -13.310 -15.249 1.00 51.22 H new ATOM 1079 N MET A 69 10.329 -14.222 -9.860 1.00 31.53 N ATOM 1080 CA MET A 69 11.364 -14.732 -8.967 1.00 53.42 C ATOM 1081 C MET A 69 11.956 -16.030 -9.506 1.00 51.12 C ATOM 1082 O MET A 69 11.248 -16.851 -10.090 1.00 25.43 O ATOM 1083 CB MET A 69 10.792 -14.961 -7.567 1.00 11.11 C ATOM 1084 CG MET A 69 11.828 -14.842 -6.461 1.00 35.04 C ATOM 1085 SD MET A 69 12.623 -16.415 -6.082 1.00 31.23 S ATOM 1086 CE MET A 69 11.407 -17.156 -4.995 1.00 71.55 C ATOM 0 H MET A 69 9.522 -14.837 -9.965 1.00 31.53 H new ATOM 0 HA MET A 69 12.158 -13.988 -8.910 1.00 53.42 H new ATOM 0 HB2 MET A 69 9.995 -14.240 -7.386 1.00 11.11 H new ATOM 0 HB3 MET A 69 10.340 -15.952 -7.526 1.00 11.11 H new ATOM 0 HG2 MET A 69 12.587 -14.117 -6.756 1.00 35.04 H new ATOM 0 HG3 MET A 69 11.350 -14.455 -5.561 1.00 35.04 H new ATOM 0 HE1 MET A 69 11.831 -17.269 -3.997 1.00 71.55 H new ATOM 0 HE2 MET A 69 10.526 -16.516 -4.945 1.00 71.55 H new ATOM 0 HE3 MET A 69 11.123 -18.135 -5.381 1.00 71.55 H new ATOM 1096 N VAL A 70 13.258 -16.209 -9.307 1.00 40.24 N ATOM 1097 CA VAL A 70 13.945 -17.408 -9.773 1.00 11.41 C ATOM 1098 C VAL A 70 14.920 -17.925 -8.722 1.00 24.22 C ATOM 1099 O VAL A 70 15.775 -17.184 -8.233 1.00 74.33 O ATOM 1100 CB VAL A 70 14.711 -17.143 -11.082 1.00 43.34 C ATOM 1101 CG1 VAL A 70 13.745 -16.814 -12.210 1.00 34.40 C ATOM 1102 CG2 VAL A 70 15.721 -16.021 -10.891 1.00 13.12 C ATOM 0 H VAL A 70 13.858 -15.539 -8.826 1.00 40.24 H new ATOM 0 HA VAL A 70 13.179 -18.161 -9.956 1.00 11.41 H new ATOM 0 HB VAL A 70 15.254 -18.048 -11.353 1.00 43.34 H new ATOM 0 HG11 VAL A 70 14.305 -16.630 -13.127 1.00 34.40 H new ATOM 0 HG12 VAL A 70 13.065 -17.652 -12.363 1.00 34.40 H new ATOM 0 HG13 VAL A 70 13.172 -15.924 -11.950 1.00 34.40 H new ATOM 0 HG21 VAL A 70 16.253 -15.847 -11.826 1.00 13.12 H new ATOM 0 HG22 VAL A 70 15.201 -15.110 -10.595 1.00 13.12 H new ATOM 0 HG23 VAL A 70 16.433 -16.301 -10.115 1.00 13.12 H new ATOM 1112 N LEU A 71 14.788 -19.201 -8.378 1.00 22.43 N ATOM 1113 CA LEU A 71 15.659 -19.820 -7.384 1.00 12.01 C ATOM 1114 C LEU A 71 16.841 -20.514 -8.052 1.00 61.34 C ATOM 1115 O LEU A 71 16.676 -21.231 -9.040 1.00 14.51 O ATOM 1116 CB LEU A 71 14.871 -20.826 -6.543 1.00 2.25 C ATOM 1117 CG LEU A 71 13.874 -20.233 -5.546 1.00 41.35 C ATOM 1118 CD1 LEU A 71 12.788 -21.243 -5.213 1.00 74.10 C ATOM 1119 CD2 LEU A 71 14.589 -19.779 -4.282 1.00 42.22 C ATOM 0 H LEU A 71 14.086 -19.828 -8.772 1.00 22.43 H new ATOM 0 HA LEU A 71 16.043 -19.034 -6.734 1.00 12.01 H new ATOM 0 HB2 LEU A 71 14.329 -21.488 -7.218 1.00 2.25 H new ATOM 0 HB3 LEU A 71 15.581 -21.444 -5.993 1.00 2.25 H new ATOM 0 HG LEU A 71 13.404 -19.363 -6.005 1.00 41.35 H new ATOM 0 HD11 LEU A 71 12.088 -20.804 -4.502 1.00 74.10 H new ATOM 0 HD12 LEU A 71 12.256 -21.519 -6.123 1.00 74.10 H new ATOM 0 HD13 LEU A 71 13.240 -22.132 -4.774 1.00 74.10 H new ATOM 0 HD21 LEU A 71 13.864 -19.360 -3.584 1.00 42.22 H new ATOM 0 HD22 LEU A 71 15.087 -20.631 -3.820 1.00 42.22 H new ATOM 0 HD23 LEU A 71 15.329 -19.020 -4.535 1.00 42.22 H new