USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -113:sc= -2.51! (180deg=-4.35!) USER MOD Single : A 12 GLN : amide:sc= 1.16 K(o=1.2,f=-0.031) USER MOD Single : A 13 GLN : amide:sc= -2.96! K(o=-3!,f=-1.4) USER MOD Single : A 14 GLN : amide:sc= -0.583 K(o=-0.58,f=-6.4!) USER MOD Single : A 17 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.32) USER MOD Single : A 19 ASN : amide:sc= 0.214 K(o=0.21,f=-10!) USER MOD Single : A 20 SER OG : rot 66:sc= 0.717 USER MOD Single : A 21 MET CE :methyl -156:sc= -2.5 (180deg=-4.17!) USER MOD Single : A 25 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.096) USER MOD Single : A 29 ASN : amide:sc= -0.679! C(o=-0.68!,f=-4.2!) USER MOD Single : A 31 GLN : amide:sc= -1.73 K(o=-1.7,f=-1.2) USER MOD Single : A 36 THR OG1 : rot -98:sc= -0.976! USER MOD Single : A 41 ASN : amide:sc= 0.643 K(o=0.64,f=-0.19) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.477 -3.191 -3.540 1.00 6.75 N ATOM 2 CA GLY A 1 23.226 -3.980 -3.512 1.00 6.35 C ATOM 3 C GLY A 1 22.058 -3.177 -2.979 1.00 5.53 C ATOM 4 O GLY A 1 22.003 -2.891 -1.782 1.00 5.27 O ATOM 0 H1 GLY A 1 25.250 -3.779 -3.911 1.00 6.75 H new ATOM 0 H2 GLY A 1 24.350 -2.360 -4.152 1.00 6.75 H new ATOM 0 H3 GLY A 1 24.712 -2.879 -2.576 1.00 6.75 H new ATOM 0 HA2 GLY A 1 22.996 -4.330 -4.518 1.00 6.35 H new ATOM 0 HA3 GLY A 1 23.370 -4.865 -2.892 1.00 6.35 H new ATOM 10 N PRO A 2 21.116 -2.779 -3.855 1.00 5.42 N ATOM 11 CA PRO A 2 19.908 -2.052 -3.449 1.00 4.84 C ATOM 12 C PRO A 2 19.078 -2.865 -2.463 1.00 3.62 C ATOM 13 O PRO A 2 18.679 -3.996 -2.750 1.00 3.32 O ATOM 14 CB PRO A 2 19.138 -1.852 -4.761 1.00 5.41 C ATOM 15 CG PRO A 2 20.155 -2.016 -5.836 1.00 6.37 C ATOM 16 CD PRO A 2 21.158 -3.001 -5.311 1.00 6.21 C ATOM 0 HA PRO A 2 20.141 -1.115 -2.943 1.00 4.84 H new ATOM 0 HB2 PRO A 2 18.336 -2.583 -4.863 1.00 5.41 H new ATOM 0 HB3 PRO A 2 18.677 -0.865 -4.801 1.00 5.41 H new ATOM 0 HG2 PRO A 2 19.696 -2.380 -6.755 1.00 6.37 H new ATOM 0 HG3 PRO A 2 20.630 -1.064 -6.072 1.00 6.37 H new ATOM 0 HD2 PRO A 2 20.890 -4.025 -5.570 1.00 6.21 H new ATOM 0 HD3 PRO A 2 22.153 -2.819 -5.718 1.00 6.21 H new ATOM 24 N LEU A 3 18.822 -2.283 -1.307 1.00 3.31 N ATOM 25 CA LEU A 3 18.155 -2.993 -0.231 1.00 2.51 C ATOM 26 C LEU A 3 16.640 -2.948 -0.378 1.00 2.04 C ATOM 27 O LEU A 3 16.019 -1.896 -0.223 1.00 2.65 O ATOM 28 CB LEU A 3 18.556 -2.407 1.120 1.00 3.20 C ATOM 29 CG LEU A 3 20.039 -2.524 1.473 1.00 3.91 C ATOM 30 CD1 LEU A 3 20.303 -1.890 2.825 1.00 4.51 C ATOM 31 CD2 LEU A 3 20.487 -3.979 1.472 1.00 4.58 C ATOM 0 H LEU A 3 19.067 -1.317 -1.088 1.00 3.31 H new ATOM 0 HA LEU A 3 18.470 -4.035 -0.286 1.00 2.51 H new ATOM 0 HB2 LEU A 3 18.278 -1.353 1.136 1.00 3.20 H new ATOM 0 HB3 LEU A 3 17.975 -2.902 1.898 1.00 3.20 H new ATOM 0 HG LEU A 3 20.615 -1.994 0.715 1.00 3.91 H new ATOM 0 HD11 LEU A 3 21.362 -1.978 3.068 1.00 4.51 H new ATOM 0 HD12 LEU A 3 20.025 -0.837 2.794 1.00 4.51 H new ATOM 0 HD13 LEU A 3 19.712 -2.399 3.587 1.00 4.51 H new ATOM 0 HD21 LEU A 3 21.546 -4.034 1.726 1.00 4.58 H new ATOM 0 HD22 LEU A 3 19.908 -4.539 2.207 1.00 4.58 H new ATOM 0 HD23 LEU A 3 20.329 -4.408 0.482 1.00 4.58 H new ATOM 43 N GLY A 4 16.054 -4.094 -0.683 1.00 1.50 N ATOM 44 CA GLY A 4 14.611 -4.216 -0.667 1.00 1.46 C ATOM 45 C GLY A 4 14.093 -4.382 0.738 1.00 1.26 C ATOM 46 O GLY A 4 12.883 -4.376 0.970 1.00 1.38 O ATOM 0 H GLY A 4 16.553 -4.945 -0.942 1.00 1.50 H new ATOM 0 HA2 GLY A 4 14.164 -3.331 -1.120 1.00 1.46 H new ATOM 0 HA3 GLY A 4 14.309 -5.071 -1.272 1.00 1.46 H new ATOM 50 N SER A 5 15.010 -4.514 1.689 1.00 1.11 N ATOM 51 CA SER A 5 14.636 -4.565 3.086 1.00 1.19 C ATOM 52 C SER A 5 14.554 -3.144 3.630 1.00 1.04 C ATOM 53 O SER A 5 15.060 -2.829 4.705 1.00 1.28 O ATOM 54 CB SER A 5 15.660 -5.387 3.863 1.00 1.47 C ATOM 55 OG SER A 5 15.916 -6.616 3.203 1.00 1.68 O ATOM 0 H SER A 5 16.012 -4.587 1.514 1.00 1.11 H new ATOM 0 HA SER A 5 13.662 -5.042 3.196 1.00 1.19 H new ATOM 0 HB2 SER A 5 16.587 -4.822 3.964 1.00 1.47 H new ATOM 0 HB3 SER A 5 15.292 -5.579 4.871 1.00 1.47 H new ATOM 0 HG SER A 5 16.576 -7.130 3.713 1.00 1.68 H new ATOM 61 N MET A 6 13.870 -2.313 2.862 1.00 0.82 N ATOM 62 CA MET A 6 13.553 -0.942 3.221 1.00 0.90 C ATOM 63 C MET A 6 12.183 -0.649 2.640 1.00 0.74 C ATOM 64 O MET A 6 12.037 0.152 1.717 1.00 0.77 O ATOM 65 CB MET A 6 14.587 0.047 2.659 1.00 1.13 C ATOM 66 CG MET A 6 16.015 -0.209 3.112 1.00 1.70 C ATOM 67 SD MET A 6 17.160 1.075 2.561 1.00 2.28 S ATOM 68 CE MET A 6 16.811 1.116 0.805 1.00 2.00 C ATOM 0 H MET A 6 13.510 -2.581 1.946 1.00 0.82 H new ATOM 0 HA MET A 6 13.566 -0.825 4.305 1.00 0.90 H new ATOM 0 HB2 MET A 6 14.552 0.010 1.570 1.00 1.13 H new ATOM 0 HB3 MET A 6 14.302 1.057 2.952 1.00 1.13 H new ATOM 0 HG2 MET A 6 16.041 -0.271 4.200 1.00 1.70 H new ATOM 0 HG3 MET A 6 16.346 -1.174 2.729 1.00 1.70 H new ATOM 0 HE1 MET A 6 17.680 0.757 0.253 1.00 2.00 H new ATOM 0 HE2 MET A 6 15.954 0.477 0.589 1.00 2.00 H new ATOM 0 HE3 MET A 6 16.586 2.139 0.502 1.00 2.00 H new ATOM 78 N PRO A 7 11.166 -1.345 3.161 1.00 0.69 N ATOM 79 CA PRO A 7 9.850 -1.458 2.522 1.00 0.65 C ATOM 80 C PRO A 7 9.212 -0.130 2.142 1.00 0.53 C ATOM 81 O PRO A 7 8.565 -0.045 1.103 1.00 0.74 O ATOM 82 CB PRO A 7 9.023 -2.205 3.567 1.00 0.83 C ATOM 83 CG PRO A 7 10.044 -3.020 4.277 1.00 0.92 C ATOM 84 CD PRO A 7 11.206 -2.094 4.430 1.00 0.83 C ATOM 0 HA PRO A 7 9.920 -1.967 1.561 1.00 0.65 H new ATOM 0 HB2 PRO A 7 8.512 -1.520 4.243 1.00 0.83 H new ATOM 0 HB3 PRO A 7 8.257 -2.829 3.106 1.00 0.83 H new ATOM 0 HG2 PRO A 7 9.678 -3.364 5.244 1.00 0.92 H new ATOM 0 HG3 PRO A 7 10.314 -3.908 3.705 1.00 0.92 H new ATOM 0 HD2 PRO A 7 11.096 -1.439 5.294 1.00 0.83 H new ATOM 0 HD3 PRO A 7 12.145 -2.634 4.557 1.00 0.83 H new ATOM 92 N GLU A 8 9.423 0.919 2.937 1.00 0.60 N ATOM 93 CA GLU A 8 8.785 2.205 2.654 1.00 0.60 C ATOM 94 C GLU A 8 9.343 2.852 1.389 1.00 0.57 C ATOM 95 O GLU A 8 8.717 3.735 0.817 1.00 0.72 O ATOM 96 CB GLU A 8 8.877 3.174 3.836 1.00 0.78 C ATOM 97 CG GLU A 8 7.799 2.946 4.886 1.00 0.59 C ATOM 98 CD GLU A 8 7.744 4.059 5.914 1.00 0.81 C ATOM 99 OE1 GLU A 8 7.001 5.039 5.697 1.00 1.12 O ATOM 100 OE2 GLU A 8 8.440 3.952 6.945 1.00 1.20 O ATOM 0 H GLU A 8 10.018 0.907 3.765 1.00 0.60 H new ATOM 0 HA GLU A 8 7.730 1.987 2.487 1.00 0.60 H new ATOM 0 HB2 GLU A 8 9.857 3.074 4.303 1.00 0.78 H new ATOM 0 HB3 GLU A 8 8.803 4.196 3.465 1.00 0.78 H new ATOM 0 HG2 GLU A 8 6.830 2.862 4.394 1.00 0.59 H new ATOM 0 HG3 GLU A 8 7.983 1.998 5.391 1.00 0.59 H new ATOM 107 N VAL A 9 10.499 2.397 0.927 1.00 0.46 N ATOM 108 CA VAL A 9 11.041 2.889 -0.333 1.00 0.49 C ATOM 109 C VAL A 9 10.125 2.466 -1.491 1.00 0.42 C ATOM 110 O VAL A 9 10.093 3.097 -2.548 1.00 0.54 O ATOM 111 CB VAL A 9 12.485 2.390 -0.574 1.00 0.52 C ATOM 112 CG1 VAL A 9 13.026 2.902 -1.904 1.00 0.60 C ATOM 113 CG2 VAL A 9 13.395 2.823 0.569 1.00 0.61 C ATOM 0 H VAL A 9 11.074 1.698 1.397 1.00 0.46 H new ATOM 0 HA VAL A 9 11.081 3.977 -0.281 1.00 0.49 H new ATOM 0 HB VAL A 9 12.464 1.301 -0.613 1.00 0.52 H new ATOM 0 HG11 VAL A 9 14.043 2.536 -2.048 1.00 0.60 H new ATOM 0 HG12 VAL A 9 12.393 2.544 -2.716 1.00 0.60 H new ATOM 0 HG13 VAL A 9 13.030 3.992 -1.900 1.00 0.60 H new ATOM 0 HG21 VAL A 9 14.407 2.464 0.384 1.00 0.61 H new ATOM 0 HG22 VAL A 9 13.402 3.911 0.636 1.00 0.61 H new ATOM 0 HG23 VAL A 9 13.027 2.404 1.506 1.00 0.61 H new ATOM 123 N ARG A 10 9.371 1.394 -1.279 1.00 0.31 N ATOM 124 CA ARG A 10 8.331 1.003 -2.212 1.00 0.30 C ATOM 125 C ARG A 10 6.974 1.420 -1.662 1.00 0.21 C ATOM 126 O ARG A 10 6.173 2.065 -2.341 1.00 0.18 O ATOM 127 CB ARG A 10 8.355 -0.513 -2.441 1.00 0.39 C ATOM 128 CG ARG A 10 9.710 -1.038 -2.878 1.00 0.52 C ATOM 129 CD ARG A 10 10.153 -0.426 -4.200 1.00 0.71 C ATOM 130 NE ARG A 10 11.332 -1.094 -4.750 1.00 1.28 N ATOM 131 CZ ARG A 10 12.396 -0.451 -5.229 1.00 1.73 C ATOM 132 NH1 ARG A 10 12.462 0.875 -5.161 1.00 1.45 N ATOM 133 NH2 ARG A 10 13.397 -1.136 -5.763 1.00 2.74 N ATOM 0 H ARG A 10 9.463 0.782 -0.468 1.00 0.31 H new ATOM 0 HA ARG A 10 8.508 1.500 -3.166 1.00 0.30 H new ATOM 0 HB2 ARG A 10 8.059 -1.016 -1.521 1.00 0.39 H new ATOM 0 HB3 ARG A 10 7.613 -0.770 -3.197 1.00 0.39 H new ATOM 0 HG2 ARG A 10 10.451 -0.818 -2.109 1.00 0.52 H new ATOM 0 HG3 ARG A 10 9.665 -2.123 -2.976 1.00 0.52 H new ATOM 0 HD2 ARG A 10 9.335 -0.486 -4.918 1.00 0.71 H new ATOM 0 HD3 ARG A 10 10.372 0.632 -4.054 1.00 0.71 H new ATOM 0 HE ARG A 10 11.340 -2.114 -4.768 1.00 1.28 H new ATOM 0 HH11 ARG A 10 11.697 1.403 -4.741 1.00 1.45 H new ATOM 0 HH12 ARG A 10 13.278 1.365 -5.529 1.00 1.45 H new ATOM 0 HH21 ARG A 10 13.352 -2.154 -5.807 1.00 2.74 H new ATOM 0 HH22 ARG A 10 14.212 -0.645 -6.130 1.00 2.74 H new ATOM 147 N PHE A 11 6.758 1.090 -0.397 1.00 0.19 N ATOM 148 CA PHE A 11 5.473 1.287 0.243 1.00 0.17 C ATOM 149 C PHE A 11 5.095 2.752 0.283 1.00 0.15 C ATOM 150 O PHE A 11 4.059 3.119 -0.235 1.00 0.12 O ATOM 151 CB PHE A 11 5.479 0.723 1.668 1.00 0.22 C ATOM 152 CG PHE A 11 5.493 -0.783 1.750 1.00 0.21 C ATOM 153 CD1 PHE A 11 5.801 -1.561 0.644 1.00 0.56 C ATOM 154 CD2 PHE A 11 5.185 -1.417 2.942 1.00 0.44 C ATOM 155 CE1 PHE A 11 5.802 -2.939 0.727 1.00 0.56 C ATOM 156 CE2 PHE A 11 5.183 -2.794 3.030 1.00 0.46 C ATOM 157 CZ PHE A 11 5.491 -3.556 1.922 1.00 0.23 C ATOM 0 H PHE A 11 7.468 0.680 0.210 1.00 0.19 H new ATOM 0 HA PHE A 11 4.733 0.751 -0.351 1.00 0.17 H new ATOM 0 HB2 PHE A 11 6.352 1.110 2.194 1.00 0.22 H new ATOM 0 HB3 PHE A 11 4.600 1.094 2.195 1.00 0.22 H new ATOM 0 HD1 PHE A 11 6.043 -1.083 -0.294 1.00 0.56 H new ATOM 0 HD2 PHE A 11 4.943 -0.826 3.813 1.00 0.44 H new ATOM 0 HE1 PHE A 11 6.046 -3.533 -0.141 1.00 0.56 H new ATOM 0 HE2 PHE A 11 4.940 -3.275 3.966 1.00 0.46 H new ATOM 0 HZ PHE A 11 5.489 -4.634 1.989 1.00 0.23 H new ATOM 167 N GLN A 12 5.959 3.588 0.843 1.00 0.20 N ATOM 168 CA GLN A 12 5.612 4.975 1.120 1.00 0.22 C ATOM 169 C GLN A 12 5.300 5.732 -0.165 1.00 0.20 C ATOM 170 O GLN A 12 4.475 6.645 -0.168 1.00 0.21 O ATOM 171 CB GLN A 12 6.743 5.671 1.877 1.00 0.32 C ATOM 172 CG GLN A 12 6.333 6.980 2.532 1.00 0.36 C ATOM 173 CD GLN A 12 7.498 7.697 3.188 1.00 0.54 C ATOM 174 OE1 GLN A 12 8.147 8.542 2.572 1.00 1.14 O ATOM 175 NE2 GLN A 12 7.789 7.347 4.430 1.00 1.26 N ATOM 0 H GLN A 12 6.907 3.329 1.115 1.00 0.20 H new ATOM 0 HA GLN A 12 4.717 4.975 1.743 1.00 0.22 H new ATOM 0 HB2 GLN A 12 7.123 4.996 2.644 1.00 0.32 H new ATOM 0 HB3 GLN A 12 7.564 5.863 1.187 1.00 0.32 H new ATOM 0 HG2 GLN A 12 5.886 7.632 1.782 1.00 0.36 H new ATOM 0 HG3 GLN A 12 5.566 6.782 3.280 1.00 0.36 H new ATOM 0 HE21 GLN A 12 7.226 6.642 4.906 1.00 1.26 H new ATOM 0 HE22 GLN A 12 8.576 7.782 4.911 1.00 1.26 H new ATOM 184 N GLN A 13 5.938 5.342 -1.260 1.00 0.21 N ATOM 185 CA GLN A 13 5.702 6.011 -2.529 1.00 0.23 C ATOM 186 C GLN A 13 4.333 5.610 -3.056 1.00 0.19 C ATOM 187 O GLN A 13 3.536 6.451 -3.492 1.00 0.21 O ATOM 188 CB GLN A 13 6.790 5.680 -3.557 1.00 0.28 C ATOM 189 CG GLN A 13 8.210 5.577 -2.991 1.00 0.37 C ATOM 190 CD GLN A 13 8.541 6.596 -1.904 1.00 0.59 C ATOM 191 OE1 GLN A 13 9.372 6.331 -1.038 1.00 1.19 O ATOM 192 NE2 GLN A 13 7.894 7.749 -1.921 1.00 0.44 N ATOM 0 H GLN A 13 6.613 4.578 -1.295 1.00 0.21 H new ATOM 0 HA GLN A 13 5.734 7.088 -2.364 1.00 0.23 H new ATOM 0 HB2 GLN A 13 6.538 4.735 -4.038 1.00 0.28 H new ATOM 0 HB3 GLN A 13 6.780 6.445 -4.333 1.00 0.28 H new ATOM 0 HG2 GLN A 13 8.353 4.575 -2.586 1.00 0.37 H new ATOM 0 HG3 GLN A 13 8.921 5.695 -3.808 1.00 0.37 H new ATOM 0 HE21 GLN A 13 7.210 7.939 -2.653 1.00 0.44 H new ATOM 0 HE22 GLN A 13 8.079 8.448 -1.202 1.00 0.44 H new ATOM 201 N GLN A 14 4.051 4.316 -2.980 1.00 0.16 N ATOM 202 CA GLN A 14 2.718 3.807 -3.267 1.00 0.15 C ATOM 203 C GLN A 14 1.714 4.382 -2.271 1.00 0.13 C ATOM 204 O GLN A 14 0.525 4.487 -2.564 1.00 0.14 O ATOM 205 CB GLN A 14 2.687 2.283 -3.187 1.00 0.16 C ATOM 206 CG GLN A 14 2.958 1.546 -4.494 1.00 0.22 C ATOM 207 CD GLN A 14 4.400 1.568 -4.943 1.00 0.53 C ATOM 208 OE1 GLN A 14 5.119 2.545 -4.765 1.00 1.24 O ATOM 209 NE2 GLN A 14 4.840 0.459 -5.508 1.00 0.37 N ATOM 0 H GLN A 14 4.729 3.599 -2.722 1.00 0.16 H new ATOM 0 HA GLN A 14 2.451 4.112 -4.279 1.00 0.15 H new ATOM 0 HB2 GLN A 14 3.423 1.961 -2.451 1.00 0.16 H new ATOM 0 HB3 GLN A 14 1.709 1.977 -2.815 1.00 0.16 H new ATOM 0 HG2 GLN A 14 2.642 0.509 -4.383 1.00 0.22 H new ATOM 0 HG3 GLN A 14 2.341 1.985 -5.278 1.00 0.22 H new ATOM 0 HE21 GLN A 14 4.209 -0.332 -5.638 1.00 0.37 H new ATOM 0 HE22 GLN A 14 5.811 0.393 -5.814 1.00 0.37 H new ATOM 218 N LEU A 15 2.205 4.764 -1.096 1.00 0.13 N ATOM 219 CA LEU A 15 1.346 5.328 -0.063 1.00 0.13 C ATOM 220 C LEU A 15 0.920 6.730 -0.449 1.00 0.15 C ATOM 221 O LEU A 15 -0.200 7.124 -0.156 1.00 0.17 O ATOM 222 CB LEU A 15 2.017 5.342 1.318 1.00 0.15 C ATOM 223 CG LEU A 15 2.433 3.973 1.866 1.00 0.14 C ATOM 224 CD1 LEU A 15 2.647 4.027 3.366 1.00 0.20 C ATOM 225 CD2 LEU A 15 1.405 2.919 1.524 1.00 0.16 C ATOM 0 H LEU A 15 3.189 4.693 -0.837 1.00 0.13 H new ATOM 0 HA LEU A 15 0.469 4.684 0.013 1.00 0.13 H new ATOM 0 HB2 LEU A 15 2.902 5.977 1.266 1.00 0.15 H new ATOM 0 HB3 LEU A 15 1.334 5.806 2.029 1.00 0.15 H new ATOM 0 HG LEU A 15 3.377 3.703 1.394 1.00 0.14 H new ATOM 0 HD11 LEU A 15 2.941 3.042 3.727 1.00 0.20 H new ATOM 0 HD12 LEU A 15 3.432 4.747 3.596 1.00 0.20 H new ATOM 0 HD13 LEU A 15 1.721 4.331 3.855 1.00 0.20 H new ATOM 0 HD21 LEU A 15 1.724 1.957 1.924 1.00 0.16 H new ATOM 0 HD22 LEU A 15 0.444 3.193 1.960 1.00 0.16 H new ATOM 0 HD23 LEU A 15 1.305 2.846 0.441 1.00 0.16 H new ATOM 237 N GLU A 16 1.812 7.470 -1.107 1.00 0.16 N ATOM 238 CA GLU A 16 1.469 8.784 -1.662 1.00 0.19 C ATOM 239 C GLU A 16 0.468 8.615 -2.795 1.00 0.16 C ATOM 240 O GLU A 16 -0.409 9.450 -3.017 1.00 0.17 O ATOM 241 CB GLU A 16 2.698 9.488 -2.222 1.00 0.28 C ATOM 242 CG GLU A 16 3.884 9.527 -1.286 1.00 0.37 C ATOM 243 CD GLU A 16 5.046 10.287 -1.889 1.00 0.54 C ATOM 244 OE1 GLU A 16 5.053 11.533 -1.802 1.00 0.88 O ATOM 245 OE2 GLU A 16 5.944 9.651 -2.475 1.00 0.62 O ATOM 0 H GLU A 16 2.778 7.184 -1.270 1.00 0.16 H new ATOM 0 HA GLU A 16 1.048 9.383 -0.854 1.00 0.19 H new ATOM 0 HB2 GLU A 16 2.997 8.990 -3.144 1.00 0.28 H new ATOM 0 HB3 GLU A 16 2.426 10.510 -2.485 1.00 0.28 H new ATOM 0 HG2 GLU A 16 3.591 9.995 -0.346 1.00 0.37 H new ATOM 0 HG3 GLU A 16 4.197 8.509 -1.052 1.00 0.37 H new ATOM 252 N GLN A 17 0.619 7.526 -3.517 1.00 0.15 N ATOM 253 CA GLN A 17 -0.276 7.209 -4.609 1.00 0.17 C ATOM 254 C GLN A 17 -1.678 6.905 -4.081 1.00 0.17 C ATOM 255 O GLN A 17 -2.662 7.429 -4.590 1.00 0.22 O ATOM 256 CB GLN A 17 0.281 6.029 -5.379 1.00 0.18 C ATOM 257 CG GLN A 17 -0.593 5.575 -6.535 1.00 0.27 C ATOM 258 CD GLN A 17 0.131 4.653 -7.502 1.00 0.27 C ATOM 259 OE1 GLN A 17 -0.180 4.623 -8.689 1.00 0.37 O ATOM 260 NE2 GLN A 17 1.117 3.913 -7.013 1.00 0.18 N ATOM 0 H GLN A 17 1.359 6.840 -3.366 1.00 0.15 H new ATOM 0 HA GLN A 17 -0.354 8.066 -5.278 1.00 0.17 H new ATOM 0 HB2 GLN A 17 1.266 6.292 -5.764 1.00 0.18 H new ATOM 0 HB3 GLN A 17 0.420 5.194 -4.693 1.00 0.18 H new ATOM 0 HG2 GLN A 17 -1.470 5.062 -6.140 1.00 0.27 H new ATOM 0 HG3 GLN A 17 -0.953 6.450 -7.077 1.00 0.27 H new ATOM 0 HE21 GLN A 17 1.349 3.963 -6.021 1.00 0.18 H new ATOM 0 HE22 GLN A 17 1.644 3.294 -7.629 1.00 0.18 H new ATOM 269 N LEU A 18 -1.765 6.077 -3.040 1.00 0.14 N ATOM 270 CA LEU A 18 -3.039 5.813 -2.375 1.00 0.14 C ATOM 271 C LEU A 18 -3.512 7.075 -1.685 1.00 0.13 C ATOM 272 O LEU A 18 -4.705 7.333 -1.550 1.00 0.15 O ATOM 273 CB LEU A 18 -2.882 4.724 -1.324 1.00 0.12 C ATOM 274 CG LEU A 18 -2.745 3.302 -1.825 1.00 0.14 C ATOM 275 CD1 LEU A 18 -2.535 2.404 -0.634 1.00 0.16 C ATOM 276 CD2 LEU A 18 -3.988 2.877 -2.577 1.00 0.17 C ATOM 0 H LEU A 18 -0.970 5.579 -2.640 1.00 0.14 H new ATOM 0 HA LEU A 18 -3.759 5.489 -3.126 1.00 0.14 H new ATOM 0 HB2 LEU A 18 -2.004 4.958 -0.722 1.00 0.12 H new ATOM 0 HB3 LEU A 18 -3.745 4.768 -0.659 1.00 0.12 H new ATOM 0 HG LEU A 18 -1.899 3.234 -2.509 1.00 0.14 H new ATOM 0 HD11 LEU A 18 -2.433 1.372 -0.970 1.00 0.16 H new ATOM 0 HD12 LEU A 18 -1.630 2.705 -0.107 1.00 0.16 H new ATOM 0 HD13 LEU A 18 -3.390 2.484 0.038 1.00 0.16 H new ATOM 0 HD21 LEU A 18 -3.868 1.852 -2.928 1.00 0.17 H new ATOM 0 HD22 LEU A 18 -4.852 2.935 -1.915 1.00 0.17 H new ATOM 0 HD23 LEU A 18 -4.141 3.538 -3.431 1.00 0.17 H new ATOM 288 N ASN A 19 -2.537 7.835 -1.233 1.00 0.13 N ATOM 289 CA ASN A 19 -2.756 9.134 -0.605 1.00 0.15 C ATOM 290 C ASN A 19 -3.528 10.052 -1.536 1.00 0.18 C ATOM 291 O ASN A 19 -4.274 10.934 -1.111 1.00 0.20 O ATOM 292 CB ASN A 19 -1.395 9.749 -0.293 1.00 0.17 C ATOM 293 CG ASN A 19 -1.457 10.909 0.674 1.00 0.22 C ATOM 294 OD1 ASN A 19 -1.389 10.718 1.888 1.00 0.25 O ATOM 295 ND2 ASN A 19 -1.556 12.117 0.149 1.00 0.25 N ATOM 0 H ASN A 19 -1.554 7.570 -1.289 1.00 0.13 H new ATOM 0 HA ASN A 19 -3.337 9.006 0.308 1.00 0.15 H new ATOM 0 HB2 ASN A 19 -0.744 8.978 0.120 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -0.938 10.087 -1.223 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -1.579 12.937 0.756 1.00 0.25 H new ATOM 0 HD22 ASN A 19 -1.610 12.230 -0.863 1.00 0.25 H new ATOM 302 N SER A 20 -3.342 9.796 -2.812 1.00 0.21 N ATOM 303 CA SER A 20 -3.986 10.551 -3.879 1.00 0.26 C ATOM 304 C SER A 20 -5.404 10.052 -4.089 1.00 0.26 C ATOM 305 O SER A 20 -6.260 10.737 -4.646 1.00 0.34 O ATOM 306 CB SER A 20 -3.184 10.371 -5.169 1.00 0.36 C ATOM 307 OG SER A 20 -1.886 10.927 -5.041 1.00 0.66 O ATOM 0 H SER A 20 -2.733 9.050 -3.148 1.00 0.21 H new ATOM 0 HA SER A 20 -4.021 11.606 -3.606 1.00 0.26 H new ATOM 0 HB2 SER A 20 -3.107 9.311 -5.409 1.00 0.36 H new ATOM 0 HB3 SER A 20 -3.708 10.848 -5.997 1.00 0.36 H new ATOM 0 HG SER A 20 -1.379 10.424 -4.370 1.00 0.66 H new ATOM 313 N MET A 21 -5.628 8.850 -3.609 1.00 0.22 N ATOM 314 CA MET A 21 -6.854 8.118 -3.843 1.00 0.24 C ATOM 315 C MET A 21 -7.788 8.250 -2.655 1.00 0.25 C ATOM 316 O MET A 21 -8.850 7.632 -2.606 1.00 0.38 O ATOM 317 CB MET A 21 -6.468 6.669 -4.083 1.00 0.24 C ATOM 318 CG MET A 21 -5.418 6.546 -5.170 1.00 0.30 C ATOM 319 SD MET A 21 -6.087 5.974 -6.742 1.00 0.79 S ATOM 320 CE MET A 21 -6.823 4.413 -6.265 1.00 1.41 C ATOM 0 H MET A 21 -4.953 8.344 -3.035 1.00 0.22 H new ATOM 0 HA MET A 21 -7.387 8.515 -4.707 1.00 0.24 H new ATOM 0 HB2 MET A 21 -6.088 6.235 -3.158 1.00 0.24 H new ATOM 0 HB3 MET A 21 -7.353 6.098 -4.364 1.00 0.24 H new ATOM 0 HG2 MET A 21 -4.941 7.515 -5.317 1.00 0.30 H new ATOM 0 HG3 MET A 21 -4.642 5.855 -4.840 1.00 0.30 H new ATOM 0 HE1 MET A 21 -6.890 3.761 -7.136 1.00 1.41 H new ATOM 0 HE2 MET A 21 -6.206 3.938 -5.503 1.00 1.41 H new ATOM 0 HE3 MET A 21 -7.822 4.589 -5.865 1.00 1.41 H new ATOM 330 N GLY A 22 -7.363 9.047 -1.690 1.00 0.18 N ATOM 331 CA GLY A 22 -8.165 9.284 -0.516 1.00 0.18 C ATOM 332 C GLY A 22 -7.860 8.277 0.560 1.00 0.16 C ATOM 333 O GLY A 22 -8.628 8.101 1.505 1.00 0.19 O ATOM 0 H GLY A 22 -6.469 9.537 -1.702 1.00 0.18 H new ATOM 0 HA2 GLY A 22 -7.978 10.290 -0.141 1.00 0.18 H new ATOM 0 HA3 GLY A 22 -9.222 9.233 -0.777 1.00 0.18 H new ATOM 337 N PHE A 23 -6.730 7.608 0.409 1.00 0.14 N ATOM 338 CA PHE A 23 -6.281 6.645 1.385 1.00 0.14 C ATOM 339 C PHE A 23 -5.091 7.208 2.147 1.00 0.11 C ATOM 340 O PHE A 23 -3.978 7.282 1.631 1.00 0.11 O ATOM 341 CB PHE A 23 -5.929 5.329 0.694 1.00 0.16 C ATOM 342 CG PHE A 23 -7.133 4.580 0.205 1.00 0.21 C ATOM 343 CD1 PHE A 23 -8.027 4.020 1.103 1.00 0.25 C ATOM 344 CD2 PHE A 23 -7.374 4.438 -1.153 1.00 0.30 C ATOM 345 CE1 PHE A 23 -9.140 3.337 0.657 1.00 0.32 C ATOM 346 CE2 PHE A 23 -8.486 3.754 -1.605 1.00 0.37 C ATOM 347 CZ PHE A 23 -9.369 3.202 -0.699 1.00 0.36 C ATOM 0 H PHE A 23 -6.106 7.720 -0.390 1.00 0.14 H new ATOM 0 HA PHE A 23 -7.079 6.445 2.100 1.00 0.14 H new ATOM 0 HB2 PHE A 23 -5.269 5.534 -0.149 1.00 0.16 H new ATOM 0 HB3 PHE A 23 -5.374 4.698 1.388 1.00 0.16 H new ATOM 0 HD1 PHE A 23 -7.851 4.119 2.164 1.00 0.25 H new ATOM 0 HD2 PHE A 23 -6.685 4.867 -1.865 1.00 0.30 H new ATOM 0 HE1 PHE A 23 -9.832 2.908 1.367 1.00 0.32 H new ATOM 0 HE2 PHE A 23 -8.664 3.651 -2.665 1.00 0.37 H new ATOM 0 HZ PHE A 23 -10.238 2.665 -1.050 1.00 0.36 H new ATOM 357 N ILE A 24 -5.348 7.628 3.369 1.00 0.12 N ATOM 358 CA ILE A 24 -4.338 8.276 4.201 1.00 0.12 C ATOM 359 C ILE A 24 -4.130 7.512 5.491 1.00 0.15 C ATOM 360 O ILE A 24 -3.366 7.935 6.354 1.00 0.23 O ATOM 361 CB ILE A 24 -4.669 9.757 4.531 1.00 0.14 C ATOM 362 CG1 ILE A 24 -6.186 9.997 4.607 1.00 0.13 C ATOM 363 CG2 ILE A 24 -4.029 10.685 3.515 1.00 0.19 C ATOM 364 CD1 ILE A 24 -6.846 10.190 3.254 1.00 0.14 C ATOM 0 H ILE A 24 -6.259 7.533 3.818 1.00 0.12 H new ATOM 0 HA ILE A 24 -3.422 8.270 3.610 1.00 0.12 H new ATOM 0 HB ILE A 24 -4.254 9.977 5.514 1.00 0.14 H new ATOM 0 HG12 ILE A 24 -6.653 9.151 5.111 1.00 0.13 H new ATOM 0 HG13 ILE A 24 -6.374 10.877 5.221 1.00 0.13 H new ATOM 0 HG21 ILE A 24 -4.272 11.718 3.762 1.00 0.19 H new ATOM 0 HG22 ILE A 24 -2.947 10.552 3.532 1.00 0.19 H new ATOM 0 HG23 ILE A 24 -4.408 10.452 2.520 1.00 0.19 H new ATOM 0 HD11 ILE A 24 -7.915 10.354 3.391 1.00 0.14 H new ATOM 0 HD12 ILE A 24 -6.407 11.054 2.755 1.00 0.14 H new ATOM 0 HD13 ILE A 24 -6.690 9.301 2.643 1.00 0.14 H new ATOM 376 N ASN A 25 -4.796 6.376 5.611 1.00 0.18 N ATOM 377 CA ASN A 25 -4.546 5.482 6.716 1.00 0.21 C ATOM 378 C ASN A 25 -3.279 4.735 6.387 1.00 0.18 C ATOM 379 O ASN A 25 -3.332 3.640 5.843 1.00 0.17 O ATOM 380 CB ASN A 25 -5.697 4.480 6.920 1.00 0.28 C ATOM 381 CG ASN A 25 -5.772 3.928 8.336 1.00 1.19 C ATOM 382 OD1 ASN A 25 -6.844 3.551 8.802 1.00 1.80 O ATOM 383 ND2 ASN A 25 -4.642 3.882 9.029 1.00 1.84 N ATOM 0 H ASN A 25 -5.510 6.057 4.957 1.00 0.18 H new ATOM 0 HA ASN A 25 -4.459 6.054 7.640 1.00 0.21 H new ATOM 0 HB2 ASN A 25 -6.641 4.968 6.677 1.00 0.28 H new ATOM 0 HB3 ASN A 25 -5.577 3.652 6.221 1.00 0.28 H new ATOM 0 HD21 ASN A 25 -4.644 3.524 9.984 1.00 1.84 H new ATOM 0 HD22 ASN A 25 -3.771 4.205 8.607 1.00 1.84 H new ATOM 390 N ARG A 26 -2.149 5.374 6.650 1.00 0.22 N ATOM 391 CA ARG A 26 -0.846 4.807 6.340 1.00 0.25 C ATOM 392 C ARG A 26 -0.791 3.342 6.715 1.00 0.23 C ATOM 393 O ARG A 26 -0.378 2.513 5.916 1.00 0.24 O ATOM 394 CB ARG A 26 0.228 5.556 7.100 1.00 0.45 C ATOM 395 CG ARG A 26 0.608 6.894 6.505 1.00 0.60 C ATOM 396 CD ARG A 26 1.096 6.750 5.076 1.00 0.51 C ATOM 397 NE ARG A 26 0.007 6.860 4.116 1.00 0.95 N ATOM 398 CZ ARG A 26 -0.373 8.020 3.573 1.00 1.10 C ATOM 399 NH1 ARG A 26 0.229 9.154 3.921 1.00 1.42 N ATOM 400 NH2 ARG A 26 -1.355 8.050 2.685 1.00 1.63 N ATOM 0 H ARG A 26 -2.110 6.297 7.083 1.00 0.22 H new ATOM 0 HA ARG A 26 -0.679 4.900 5.267 1.00 0.25 H new ATOM 0 HB2 ARG A 26 -0.113 5.713 8.124 1.00 0.45 H new ATOM 0 HB3 ARG A 26 1.119 4.931 7.153 1.00 0.45 H new ATOM 0 HG2 ARG A 26 -0.253 7.562 6.531 1.00 0.60 H new ATOM 0 HG3 ARG A 26 1.387 7.355 7.112 1.00 0.60 H new ATOM 0 HD2 ARG A 26 1.842 7.517 4.868 1.00 0.51 H new ATOM 0 HD3 ARG A 26 1.589 5.785 4.956 1.00 0.51 H new ATOM 0 HE ARG A 26 -0.489 6.011 3.845 1.00 0.95 H new ATOM 0 HH11 ARG A 26 0.985 9.141 4.606 1.00 1.42 H new ATOM 0 HH12 ARG A 26 -0.065 10.037 3.503 1.00 1.42 H new ATOM 0 HH21 ARG A 26 -1.824 7.186 2.414 1.00 1.63 H new ATOM 0 HH22 ARG A 26 -1.643 8.937 2.272 1.00 1.63 H new ATOM 414 N GLU A 27 -1.227 3.052 7.932 1.00 0.25 N ATOM 415 CA GLU A 27 -1.355 1.680 8.416 1.00 0.29 C ATOM 416 C GLU A 27 -2.027 0.789 7.375 1.00 0.24 C ATOM 417 O GLU A 27 -1.448 -0.192 6.929 1.00 0.26 O ATOM 418 CB GLU A 27 -2.176 1.660 9.704 1.00 0.42 C ATOM 419 CG GLU A 27 -1.656 2.603 10.770 1.00 0.79 C ATOM 420 CD GLU A 27 -2.641 2.787 11.902 1.00 1.58 C ATOM 421 OE1 GLU A 27 -3.584 3.583 11.737 1.00 2.44 O ATOM 422 OE2 GLU A 27 -2.480 2.137 12.956 1.00 1.79 O ATOM 0 H GLU A 27 -1.503 3.759 8.614 1.00 0.25 H new ATOM 0 HA GLU A 27 -0.354 1.295 8.608 1.00 0.29 H new ATOM 0 HB2 GLU A 27 -3.208 1.922 9.471 1.00 0.42 H new ATOM 0 HB3 GLU A 27 -2.187 0.645 10.102 1.00 0.42 H new ATOM 0 HG2 GLU A 27 -0.717 2.217 11.167 1.00 0.79 H new ATOM 0 HG3 GLU A 27 -1.437 3.572 10.320 1.00 0.79 H new ATOM 429 N ALA A 28 -3.238 1.161 6.967 1.00 0.22 N ATOM 430 CA ALA A 28 -4.001 0.371 6.013 1.00 0.21 C ATOM 431 C ALA A 28 -3.293 0.310 4.665 1.00 0.15 C ATOM 432 O ALA A 28 -3.123 -0.770 4.097 1.00 0.14 O ATOM 433 CB ALA A 28 -5.401 0.940 5.849 1.00 0.26 C ATOM 0 H ALA A 28 -3.710 2.007 7.285 1.00 0.22 H new ATOM 0 HA ALA A 28 -4.080 -0.644 6.403 1.00 0.21 H new ATOM 0 HB1 ALA A 28 -5.957 0.337 5.132 1.00 0.26 H new ATOM 0 HB2 ALA A 28 -5.914 0.926 6.810 1.00 0.26 H new ATOM 0 HB3 ALA A 28 -5.337 1.966 5.487 1.00 0.26 H new ATOM 439 N ASN A 29 -2.890 1.481 4.168 1.00 0.14 N ATOM 440 CA ASN A 29 -2.167 1.600 2.906 1.00 0.10 C ATOM 441 C ASN A 29 -1.004 0.609 2.829 1.00 0.10 C ATOM 442 O ASN A 29 -0.999 -0.289 1.986 1.00 0.09 O ATOM 443 CB ASN A 29 -1.630 3.031 2.727 1.00 0.11 C ATOM 444 CG ASN A 29 -2.720 4.086 2.598 1.00 0.11 C ATOM 445 OD1 ASN A 29 -3.831 3.924 3.092 1.00 0.14 O ATOM 446 ND2 ASN A 29 -2.399 5.198 1.946 1.00 0.11 N ATOM 0 H ASN A 29 -3.057 2.374 4.632 1.00 0.14 H new ATOM 0 HA ASN A 29 -2.870 1.370 2.106 1.00 0.10 H new ATOM 0 HB2 ASN A 29 -0.996 3.280 3.578 1.00 0.11 H new ATOM 0 HB3 ASN A 29 -0.999 3.064 1.839 1.00 0.11 H new ATOM 0 HD21 ASN A 29 -3.085 5.946 1.845 1.00 0.11 H new ATOM 0 HD22 ASN A 29 -1.467 5.304 1.546 1.00 0.11 H new ATOM 453 N LEU A 30 -0.027 0.745 3.722 1.00 0.11 N ATOM 454 CA LEU A 30 1.178 -0.072 3.621 1.00 0.12 C ATOM 455 C LEU A 30 0.940 -1.512 4.066 1.00 0.11 C ATOM 456 O LEU A 30 1.647 -2.396 3.621 1.00 0.11 O ATOM 457 CB LEU A 30 2.382 0.556 4.361 1.00 0.17 C ATOM 458 CG LEU A 30 2.125 1.150 5.753 1.00 0.21 C ATOM 459 CD1 LEU A 30 1.808 0.076 6.785 1.00 0.24 C ATOM 460 CD2 LEU A 30 3.328 1.963 6.206 1.00 0.27 C ATOM 0 H LEU A 30 -0.043 1.397 4.506 1.00 0.11 H new ATOM 0 HA LEU A 30 1.434 -0.100 2.562 1.00 0.12 H new ATOM 0 HB2 LEU A 30 3.153 -0.208 4.458 1.00 0.17 H new ATOM 0 HB3 LEU A 30 2.792 1.344 3.729 1.00 0.17 H new ATOM 0 HG LEU A 30 1.253 1.799 5.673 1.00 0.21 H new ATOM 0 HD11 LEU A 30 1.634 0.543 7.754 1.00 0.24 H new ATOM 0 HD12 LEU A 30 0.916 -0.470 6.479 1.00 0.24 H new ATOM 0 HD13 LEU A 30 2.648 -0.615 6.861 1.00 0.24 H new ATOM 0 HD21 LEU A 30 3.134 2.379 7.195 1.00 0.27 H new ATOM 0 HD22 LEU A 30 4.207 1.319 6.249 1.00 0.27 H new ATOM 0 HD23 LEU A 30 3.506 2.774 5.499 1.00 0.27 H new ATOM 472 N GLN A 31 -0.060 -1.758 4.914 1.00 0.11 N ATOM 473 CA GLN A 31 -0.417 -3.135 5.275 1.00 0.13 C ATOM 474 C GLN A 31 -0.931 -3.861 4.046 1.00 0.09 C ATOM 475 O GLN A 31 -0.709 -5.070 3.852 1.00 0.09 O ATOM 476 CB GLN A 31 -1.482 -3.158 6.368 1.00 0.20 C ATOM 477 CG GLN A 31 -0.923 -2.947 7.769 1.00 0.30 C ATOM 478 CD GLN A 31 0.012 -4.056 8.241 1.00 1.19 C ATOM 479 OE1 GLN A 31 0.947 -3.803 9.003 1.00 1.52 O ATOM 480 NE2 GLN A 31 -0.238 -5.290 7.822 1.00 2.18 N ATOM 0 H GLN A 31 -0.629 -1.038 5.358 1.00 0.11 H new ATOM 0 HA GLN A 31 0.474 -3.634 5.657 1.00 0.13 H new ATOM 0 HB2 GLN A 31 -2.221 -2.384 6.160 1.00 0.20 H new ATOM 0 HB3 GLN A 31 -2.004 -4.114 6.335 1.00 0.20 H new ATOM 0 HG2 GLN A 31 -0.386 -1.999 7.795 1.00 0.30 H new ATOM 0 HG3 GLN A 31 -1.753 -2.863 8.471 1.00 0.30 H new ATOM 0 HE21 GLN A 31 -1.020 -5.466 7.191 1.00 2.18 H new ATOM 0 HE22 GLN A 31 0.352 -6.063 8.131 1.00 2.18 H new ATOM 489 N ALA A 32 -1.578 -3.092 3.192 1.00 0.09 N ATOM 490 CA ALA A 32 -2.092 -3.615 1.947 1.00 0.09 C ATOM 491 C ALA A 32 -0.916 -3.903 1.046 1.00 0.06 C ATOM 492 O ALA A 32 -0.867 -4.926 0.360 1.00 0.08 O ATOM 493 CB ALA A 32 -3.059 -2.632 1.300 1.00 0.12 C ATOM 0 H ALA A 32 -1.759 -2.099 3.341 1.00 0.09 H new ATOM 0 HA ALA A 32 -2.653 -4.532 2.127 1.00 0.09 H new ATOM 0 HB1 ALA A 32 -3.431 -3.050 0.365 1.00 0.12 H new ATOM 0 HB2 ALA A 32 -3.896 -2.448 1.974 1.00 0.12 H new ATOM 0 HB3 ALA A 32 -2.543 -1.693 1.098 1.00 0.12 H new ATOM 499 N LEU A 33 0.064 -3.018 1.116 1.00 0.05 N ATOM 500 CA LEU A 33 1.290 -3.178 0.370 1.00 0.08 C ATOM 501 C LEU A 33 2.171 -4.270 0.966 1.00 0.09 C ATOM 502 O LEU A 33 3.029 -4.802 0.281 1.00 0.12 O ATOM 503 CB LEU A 33 2.065 -1.869 0.312 1.00 0.11 C ATOM 504 CG LEU A 33 1.726 -0.963 -0.866 1.00 0.14 C ATOM 505 CD1 LEU A 33 0.732 0.121 -0.494 1.00 0.13 C ATOM 506 CD2 LEU A 33 2.991 -0.349 -1.404 1.00 0.20 C ATOM 0 H LEU A 33 0.028 -2.175 1.689 1.00 0.05 H new ATOM 0 HA LEU A 33 1.013 -3.474 -0.642 1.00 0.08 H new ATOM 0 HB2 LEU A 33 1.886 -1.319 1.236 1.00 0.11 H new ATOM 0 HB3 LEU A 33 3.130 -2.098 0.279 1.00 0.11 H new ATOM 0 HG LEU A 33 1.253 -1.576 -1.633 1.00 0.14 H new ATOM 0 HD11 LEU A 33 0.524 0.739 -1.367 1.00 0.13 H new ATOM 0 HD12 LEU A 33 -0.193 -0.338 -0.145 1.00 0.13 H new ATOM 0 HD13 LEU A 33 1.150 0.742 0.298 1.00 0.13 H new ATOM 0 HD21 LEU A 33 2.751 0.299 -2.247 1.00 0.20 H new ATOM 0 HD22 LEU A 33 3.473 0.237 -0.621 1.00 0.20 H new ATOM 0 HD23 LEU A 33 3.667 -1.138 -1.734 1.00 0.20 H new ATOM 518 N ILE A 34 1.972 -4.594 2.241 1.00 0.08 N ATOM 519 CA ILE A 34 2.721 -5.679 2.869 1.00 0.11 C ATOM 520 C ILE A 34 2.300 -7.007 2.271 1.00 0.11 C ATOM 521 O ILE A 34 3.136 -7.807 1.853 1.00 0.19 O ATOM 522 CB ILE A 34 2.535 -5.751 4.407 1.00 0.16 C ATOM 523 CG1 ILE A 34 2.993 -4.454 5.073 1.00 0.20 C ATOM 524 CG2 ILE A 34 3.298 -6.943 4.977 1.00 0.22 C ATOM 525 CD1 ILE A 34 3.124 -4.545 6.580 1.00 0.34 C ATOM 0 H ILE A 34 1.305 -4.126 2.855 1.00 0.08 H new ATOM 0 HA ILE A 34 3.773 -5.472 2.676 1.00 0.11 H new ATOM 0 HB ILE A 34 1.474 -5.882 4.617 1.00 0.16 H new ATOM 0 HG12 ILE A 34 3.955 -4.162 4.652 1.00 0.20 H new ATOM 0 HG13 ILE A 34 2.285 -3.662 4.828 1.00 0.20 H new ATOM 0 HG21 ILE A 34 3.159 -6.981 6.057 1.00 0.22 H new ATOM 0 HG22 ILE A 34 2.922 -7.863 4.530 1.00 0.22 H new ATOM 0 HG23 ILE A 34 4.359 -6.837 4.752 1.00 0.22 H new ATOM 0 HD11 ILE A 34 3.453 -3.584 6.975 1.00 0.34 H new ATOM 0 HD12 ILE A 34 2.158 -4.805 7.014 1.00 0.34 H new ATOM 0 HD13 ILE A 34 3.855 -5.312 6.836 1.00 0.34 H new ATOM 537 N ALA A 35 0.994 -7.229 2.213 1.00 0.11 N ATOM 538 CA ALA A 35 0.478 -8.485 1.681 1.00 0.14 C ATOM 539 C ALA A 35 0.543 -8.532 0.154 1.00 0.12 C ATOM 540 O ALA A 35 0.390 -9.599 -0.442 1.00 0.19 O ATOM 541 CB ALA A 35 -0.939 -8.735 2.165 1.00 0.23 C ATOM 0 H ALA A 35 0.281 -6.568 2.522 1.00 0.11 H new ATOM 0 HA ALA A 35 1.120 -9.281 2.058 1.00 0.14 H new ATOM 0 HB1 ALA A 35 -1.303 -9.677 1.755 1.00 0.23 H new ATOM 0 HB2 ALA A 35 -0.948 -8.785 3.254 1.00 0.23 H new ATOM 0 HB3 ALA A 35 -1.585 -7.922 1.834 1.00 0.23 H new ATOM 547 N THR A 36 0.760 -7.384 -0.482 1.00 0.12 N ATOM 548 CA THR A 36 0.884 -7.348 -1.935 1.00 0.14 C ATOM 549 C THR A 36 2.345 -7.175 -2.376 1.00 0.14 C ATOM 550 O THR A 36 2.689 -7.449 -3.522 1.00 0.17 O ATOM 551 CB THR A 36 0.033 -6.216 -2.529 1.00 0.16 C ATOM 552 OG1 THR A 36 0.451 -4.958 -1.988 1.00 0.17 O ATOM 553 CG2 THR A 36 -1.443 -6.441 -2.224 1.00 0.17 C ATOM 0 H THR A 36 0.852 -6.479 -0.022 1.00 0.12 H new ATOM 0 HA THR A 36 0.522 -8.306 -2.309 1.00 0.14 H new ATOM 0 HB THR A 36 0.170 -6.209 -3.610 1.00 0.16 H new ATOM 0 HG1 THR A 36 -0.147 -4.702 -1.255 1.00 0.17 H new ATOM 0 HG21 THR A 36 -2.031 -5.629 -2.652 1.00 0.17 H new ATOM 0 HG22 THR A 36 -1.764 -7.389 -2.657 1.00 0.17 H new ATOM 0 HG23 THR A 36 -1.592 -6.466 -1.144 1.00 0.17 H new ATOM 561 N GLY A 37 3.194 -6.716 -1.456 1.00 0.14 N ATOM 562 CA GLY A 37 4.619 -6.570 -1.730 1.00 0.17 C ATOM 563 C GLY A 37 4.928 -5.495 -2.758 1.00 0.20 C ATOM 564 O GLY A 37 5.864 -5.638 -3.546 1.00 0.29 O ATOM 0 H GLY A 37 2.917 -6.439 -0.514 1.00 0.14 H new ATOM 0 HA2 GLY A 37 5.138 -6.334 -0.801 1.00 0.17 H new ATOM 0 HA3 GLY A 37 5.013 -7.523 -2.082 1.00 0.17 H new ATOM 568 N GLY A 38 4.151 -4.416 -2.753 1.00 0.17 N ATOM 569 CA GLY A 38 4.423 -3.316 -3.652 1.00 0.25 C ATOM 570 C GLY A 38 3.474 -3.315 -4.820 1.00 0.21 C ATOM 571 O GLY A 38 3.635 -2.548 -5.771 1.00 0.37 O ATOM 0 H GLY A 38 3.343 -4.287 -2.145 1.00 0.17 H new ATOM 0 HA2 GLY A 38 4.339 -2.373 -3.112 1.00 0.25 H new ATOM 0 HA3 GLY A 38 5.449 -3.385 -4.014 1.00 0.25 H new ATOM 575 N ASP A 39 2.452 -4.148 -4.721 1.00 0.11 N ATOM 576 CA ASP A 39 1.455 -4.246 -5.768 1.00 0.14 C ATOM 577 C ASP A 39 0.346 -3.323 -5.377 1.00 0.13 C ATOM 578 O ASP A 39 -0.597 -3.703 -4.686 1.00 0.16 O ATOM 579 CB ASP A 39 0.928 -5.675 -5.946 1.00 0.20 C ATOM 580 CG ASP A 39 0.024 -5.825 -7.164 1.00 0.28 C ATOM 581 OD1 ASP A 39 -0.921 -5.018 -7.333 1.00 0.52 O ATOM 582 OD2 ASP A 39 0.265 -6.749 -7.972 1.00 0.64 O ATOM 0 H ASP A 39 2.293 -4.766 -3.925 1.00 0.11 H new ATOM 0 HA ASP A 39 1.894 -3.973 -6.727 1.00 0.14 H new ATOM 0 HB2 ASP A 39 1.771 -6.359 -6.039 1.00 0.20 H new ATOM 0 HB3 ASP A 39 0.377 -5.968 -5.052 1.00 0.20 H new ATOM 587 N ILE A 40 0.501 -2.085 -5.773 1.00 0.15 N ATOM 588 CA ILE A 40 -0.363 -1.038 -5.311 1.00 0.17 C ATOM 589 C ILE A 40 -1.767 -1.216 -5.846 1.00 0.19 C ATOM 590 O ILE A 40 -2.731 -0.768 -5.239 1.00 0.22 O ATOM 591 CB ILE A 40 0.207 0.323 -5.686 1.00 0.20 C ATOM 592 CG1 ILE A 40 -0.329 1.357 -4.707 1.00 0.25 C ATOM 593 CG2 ILE A 40 -0.091 0.688 -7.141 1.00 0.29 C ATOM 594 CD1 ILE A 40 -1.527 2.146 -5.190 1.00 0.52 C ATOM 0 H ILE A 40 1.227 -1.779 -6.421 1.00 0.15 H new ATOM 0 HA ILE A 40 -0.421 -1.092 -4.224 1.00 0.17 H new ATOM 0 HB ILE A 40 1.294 0.294 -5.613 1.00 0.20 H new ATOM 0 HG12 ILE A 40 -0.598 0.850 -3.780 1.00 0.25 H new ATOM 0 HG13 ILE A 40 0.473 2.056 -4.467 1.00 0.25 H new ATOM 0 HG21 ILE A 40 0.334 1.666 -7.365 1.00 0.29 H new ATOM 0 HG22 ILE A 40 0.350 -0.059 -7.801 1.00 0.29 H new ATOM 0 HG23 ILE A 40 -1.170 0.717 -7.295 1.00 0.29 H new ATOM 0 HD11 ILE A 40 -1.831 2.855 -4.419 1.00 0.52 H new ATOM 0 HD12 ILE A 40 -1.264 2.688 -6.098 1.00 0.52 H new ATOM 0 HD13 ILE A 40 -2.351 1.464 -5.401 1.00 0.52 H new ATOM 606 N ASN A 41 -1.873 -1.913 -6.960 1.00 0.19 N ATOM 607 CA ASN A 41 -3.157 -2.175 -7.571 1.00 0.26 C ATOM 608 C ASN A 41 -3.984 -3.019 -6.622 1.00 0.24 C ATOM 609 O ASN A 41 -5.116 -2.676 -6.277 1.00 0.26 O ATOM 610 CB ASN A 41 -2.996 -2.924 -8.900 1.00 0.33 C ATOM 611 CG ASN A 41 -1.761 -2.510 -9.675 1.00 0.68 C ATOM 612 OD1 ASN A 41 -1.782 -1.553 -10.446 1.00 1.29 O ATOM 613 ND2 ASN A 41 -0.671 -3.241 -9.479 1.00 0.64 N ATOM 0 H ASN A 41 -1.078 -2.310 -7.462 1.00 0.19 H new ATOM 0 HA ASN A 41 -3.650 -1.224 -7.772 1.00 0.26 H new ATOM 0 HB2 ASN A 41 -2.951 -3.995 -8.702 1.00 0.33 H new ATOM 0 HB3 ASN A 41 -3.878 -2.751 -9.516 1.00 0.33 H new ATOM 0 HD21 ASN A 41 0.190 -3.016 -9.977 1.00 0.64 H new ATOM 0 HD22 ASN A 41 -0.694 -4.028 -8.830 1.00 0.64 H new ATOM 620 N ALA A 42 -3.386 -4.119 -6.182 1.00 0.22 N ATOM 621 CA ALA A 42 -4.030 -5.010 -5.242 1.00 0.22 C ATOM 622 C ALA A 42 -4.139 -4.352 -3.873 1.00 0.22 C ATOM 623 O ALA A 42 -5.083 -4.613 -3.136 1.00 0.29 O ATOM 624 CB ALA A 42 -3.277 -6.328 -5.152 1.00 0.22 C ATOM 0 H ALA A 42 -2.451 -4.411 -6.466 1.00 0.22 H new ATOM 0 HA ALA A 42 -5.038 -5.220 -5.600 1.00 0.22 H new ATOM 0 HB1 ALA A 42 -3.777 -6.985 -4.440 1.00 0.22 H new ATOM 0 HB2 ALA A 42 -3.258 -6.804 -6.133 1.00 0.22 H new ATOM 0 HB3 ALA A 42 -2.256 -6.142 -4.819 1.00 0.22 H new ATOM 630 N ALA A 43 -3.162 -3.509 -3.526 1.00 0.17 N ATOM 631 CA ALA A 43 -3.253 -2.698 -2.316 1.00 0.19 C ATOM 632 C ALA A 43 -4.577 -1.934 -2.275 1.00 0.22 C ATOM 633 O ALA A 43 -5.316 -2.010 -1.288 1.00 0.24 O ATOM 634 CB ALA A 43 -2.080 -1.734 -2.225 1.00 0.19 C ATOM 0 H ALA A 43 -2.306 -3.373 -4.064 1.00 0.17 H new ATOM 0 HA ALA A 43 -3.216 -3.367 -1.456 1.00 0.19 H new ATOM 0 HB1 ALA A 43 -2.168 -1.139 -1.316 1.00 0.19 H new ATOM 0 HB2 ALA A 43 -1.147 -2.297 -2.202 1.00 0.19 H new ATOM 0 HB3 ALA A 43 -2.084 -1.074 -3.092 1.00 0.19 H new ATOM 640 N ILE A 44 -4.885 -1.218 -3.360 1.00 0.24 N ATOM 641 CA ILE A 44 -6.140 -0.472 -3.450 1.00 0.28 C ATOM 642 C ILE A 44 -7.313 -1.426 -3.358 1.00 0.32 C ATOM 643 O ILE A 44 -8.243 -1.195 -2.597 1.00 0.38 O ATOM 644 CB ILE A 44 -6.290 0.325 -4.767 1.00 0.27 C ATOM 645 CG1 ILE A 44 -4.981 0.981 -5.155 1.00 0.37 C ATOM 646 CG2 ILE A 44 -7.372 1.383 -4.607 1.00 0.32 C ATOM 647 CD1 ILE A 44 -4.944 1.468 -6.586 1.00 0.36 C ATOM 0 H ILE A 44 -4.286 -1.140 -4.182 1.00 0.24 H new ATOM 0 HA ILE A 44 -6.125 0.237 -2.622 1.00 0.28 H new ATOM 0 HB ILE A 44 -6.573 -0.368 -5.559 1.00 0.27 H new ATOM 0 HG12 ILE A 44 -4.796 1.824 -4.489 1.00 0.37 H new ATOM 0 HG13 ILE A 44 -4.169 0.270 -5.002 1.00 0.37 H new ATOM 0 HG21 ILE A 44 -7.474 1.942 -5.537 1.00 0.32 H new ATOM 0 HG22 ILE A 44 -8.320 0.901 -4.367 1.00 0.32 H new ATOM 0 HG23 ILE A 44 -7.098 2.065 -3.802 1.00 0.32 H new ATOM 0 HD11 ILE A 44 -3.976 1.926 -6.790 1.00 0.36 H new ATOM 0 HD12 ILE A 44 -5.096 0.626 -7.261 1.00 0.36 H new ATOM 0 HD13 ILE A 44 -5.733 2.204 -6.740 1.00 0.36 H new ATOM 659 N GLU A 45 -7.250 -2.512 -4.122 1.00 0.31 N ATOM 660 CA GLU A 45 -8.332 -3.488 -4.167 1.00 0.39 C ATOM 661 C GLU A 45 -8.530 -4.161 -2.814 1.00 0.35 C ATOM 662 O GLU A 45 -9.590 -4.715 -2.542 1.00 0.41 O ATOM 663 CB GLU A 45 -8.067 -4.536 -5.246 1.00 0.51 C ATOM 664 CG GLU A 45 -8.099 -3.966 -6.651 1.00 1.14 C ATOM 665 CD GLU A 45 -8.051 -5.037 -7.712 1.00 1.68 C ATOM 666 OE1 GLU A 45 -8.843 -5.994 -7.625 1.00 2.01 O ATOM 667 OE2 GLU A 45 -7.252 -4.912 -8.658 1.00 2.35 O ATOM 0 H GLU A 45 -6.456 -2.739 -4.721 1.00 0.31 H new ATOM 0 HA GLU A 45 -9.249 -2.953 -4.415 1.00 0.39 H new ATOM 0 HB2 GLU A 45 -7.094 -4.993 -5.068 1.00 0.51 H new ATOM 0 HB3 GLU A 45 -8.811 -5.328 -5.165 1.00 0.51 H new ATOM 0 HG2 GLU A 45 -9.005 -3.374 -6.778 1.00 1.14 H new ATOM 0 HG3 GLU A 45 -7.255 -3.290 -6.784 1.00 1.14 H new ATOM 674 N ARG A 46 -7.511 -4.119 -1.969 1.00 0.29 N ATOM 675 CA ARG A 46 -7.637 -4.627 -0.613 1.00 0.30 C ATOM 676 C ARG A 46 -8.327 -3.609 0.275 1.00 0.30 C ATOM 677 O ARG A 46 -9.074 -3.965 1.174 1.00 0.38 O ATOM 678 CB ARG A 46 -6.277 -4.979 -0.022 1.00 0.37 C ATOM 679 CG ARG A 46 -5.691 -6.265 -0.547 1.00 0.47 C ATOM 680 CD ARG A 46 -4.578 -6.717 0.367 1.00 0.53 C ATOM 681 NE ARG A 46 -5.016 -6.744 1.761 1.00 1.35 N ATOM 682 CZ ARG A 46 -4.211 -6.561 2.803 1.00 1.50 C ATOM 683 NH1 ARG A 46 -2.904 -6.425 2.618 1.00 1.48 N ATOM 684 NH2 ARG A 46 -4.712 -6.543 4.025 1.00 2.47 N ATOM 0 H ARG A 46 -6.592 -3.740 -2.198 1.00 0.29 H new ATOM 0 HA ARG A 46 -8.239 -5.534 -0.659 1.00 0.30 H new ATOM 0 HB2 ARG A 46 -5.582 -4.165 -0.228 1.00 0.37 H new ATOM 0 HB3 ARG A 46 -6.372 -5.051 1.061 1.00 0.37 H new ATOM 0 HG2 ARG A 46 -6.463 -7.032 -0.606 1.00 0.47 H new ATOM 0 HG3 ARG A 46 -5.310 -6.118 -1.558 1.00 0.47 H new ATOM 0 HD2 ARG A 46 -4.241 -7.710 0.070 1.00 0.53 H new ATOM 0 HD3 ARG A 46 -3.725 -6.047 0.264 1.00 0.53 H new ATOM 0 HE ARG A 46 -6.004 -6.914 1.947 1.00 1.35 H new ATOM 0 HH11 ARG A 46 -2.516 -6.461 1.675 1.00 1.48 H new ATOM 0 HH12 ARG A 46 -2.288 -6.285 3.418 1.00 1.48 H new ATOM 0 HH21 ARG A 46 -5.714 -6.669 4.167 1.00 2.47 H new ATOM 0 HH22 ARG A 46 -4.097 -6.403 4.826 1.00 2.47 H new ATOM 698 N LEU A 47 -8.074 -2.342 0.020 1.00 0.27 N ATOM 699 CA LEU A 47 -8.718 -1.274 0.772 1.00 0.28 C ATOM 700 C LEU A 47 -10.184 -1.146 0.366 1.00 0.36 C ATOM 701 O LEU A 47 -11.053 -0.861 1.189 1.00 0.45 O ATOM 702 CB LEU A 47 -7.991 0.038 0.519 1.00 0.27 C ATOM 703 CG LEU A 47 -6.507 0.026 0.867 1.00 0.20 C ATOM 704 CD1 LEU A 47 -5.828 1.248 0.301 1.00 0.23 C ATOM 705 CD2 LEU A 47 -6.304 -0.033 2.368 1.00 0.26 C ATOM 0 H LEU A 47 -7.428 -2.022 -0.701 1.00 0.27 H new ATOM 0 HA LEU A 47 -8.673 -1.513 1.835 1.00 0.28 H new ATOM 0 HB2 LEU A 47 -8.101 0.300 -0.533 1.00 0.27 H new ATOM 0 HB3 LEU A 47 -8.478 0.824 1.096 1.00 0.27 H new ATOM 0 HG LEU A 47 -6.062 -0.865 0.425 1.00 0.20 H new ATOM 0 HD11 LEU A 47 -4.769 1.227 0.557 1.00 0.23 H new ATOM 0 HD12 LEU A 47 -5.939 1.257 -0.783 1.00 0.23 H new ATOM 0 HD13 LEU A 47 -6.285 2.145 0.720 1.00 0.23 H new ATOM 0 HD21 LEU A 47 -5.237 -0.041 2.591 1.00 0.26 H new ATOM 0 HD22 LEU A 47 -6.765 0.839 2.832 1.00 0.26 H new ATOM 0 HD23 LEU A 47 -6.763 -0.940 2.762 1.00 0.26 H new ATOM 717 N LEU A 48 -10.447 -1.367 -0.915 1.00 0.38 N ATOM 718 CA LEU A 48 -11.800 -1.290 -1.448 1.00 0.53 C ATOM 719 C LEU A 48 -12.532 -2.592 -1.183 1.00 0.64 C ATOM 720 O LEU A 48 -13.719 -2.603 -0.858 1.00 0.76 O ATOM 721 CB LEU A 48 -11.769 -1.077 -2.961 1.00 0.65 C ATOM 722 CG LEU A 48 -10.765 -0.050 -3.476 1.00 0.76 C ATOM 723 CD1 LEU A 48 -10.605 -0.200 -4.975 1.00 1.76 C ATOM 724 CD2 LEU A 48 -11.185 1.366 -3.122 1.00 0.96 C ATOM 0 H LEU A 48 -9.736 -1.602 -1.608 1.00 0.38 H new ATOM 0 HA LEU A 48 -12.305 -0.455 -0.962 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -11.555 -2.034 -3.437 1.00 0.65 H new ATOM 0 HB3 LEU A 48 -12.765 -0.775 -3.285 1.00 0.65 H new ATOM 0 HG LEU A 48 -9.806 -0.235 -2.992 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -9.887 0.535 -5.340 1.00 1.76 H new ATOM 0 HD12 LEU A 48 -10.245 -1.203 -5.204 1.00 1.76 H new ATOM 0 HD13 LEU A 48 -11.567 -0.040 -5.461 1.00 1.76 H new ATOM 0 HD21 LEU A 48 -10.447 2.071 -3.504 1.00 0.96 H new ATOM 0 HD22 LEU A 48 -12.156 1.580 -3.568 1.00 0.96 H new ATOM 0 HD23 LEU A 48 -11.254 1.465 -2.039 1.00 0.96 H new ATOM 736 N GLY A 49 -11.798 -3.685 -1.319 1.00 0.64 N ATOM 737 CA GLY A 49 -12.402 -5.000 -1.238 1.00 0.81 C ATOM 738 C GLY A 49 -12.437 -5.544 0.171 1.00 1.05 C ATOM 739 O GLY A 49 -13.465 -6.043 0.628 1.00 1.28 O ATOM 0 H GLY A 49 -10.792 -3.686 -1.485 1.00 0.64 H new ATOM 0 HA2 GLY A 49 -13.418 -4.952 -1.629 1.00 0.81 H new ATOM 0 HA3 GLY A 49 -11.847 -5.689 -1.875 1.00 0.81 H new ATOM 743 N SER A 50 -11.322 -5.440 0.871 1.00 1.83 N ATOM 744 CA SER A 50 -11.228 -5.986 2.211 1.00 3.08 C ATOM 745 C SER A 50 -11.474 -4.901 3.251 1.00 3.74 C ATOM 746 O SER A 50 -10.542 -4.367 3.852 1.00 4.31 O ATOM 747 CB SER A 50 -9.860 -6.622 2.448 1.00 3.61 C ATOM 748 OG SER A 50 -9.385 -7.278 1.281 1.00 3.14 O ATOM 0 H SER A 50 -10.473 -4.985 0.535 1.00 1.83 H new ATOM 0 HA SER A 50 -11.994 -6.755 2.309 1.00 3.08 H new ATOM 0 HB2 SER A 50 -9.148 -5.855 2.751 1.00 3.61 H new ATOM 0 HB3 SER A 50 -9.927 -7.337 3.268 1.00 3.61 H new ATOM 0 HG SER A 50 -8.507 -7.674 1.463 1.00 3.14 H new ATOM 754 N GLN A 51 -12.734 -4.567 3.443 1.00 3.84 N ATOM 755 CA GLN A 51 -13.119 -3.631 4.473 1.00 4.55 C ATOM 756 C GLN A 51 -14.120 -4.315 5.372 1.00 5.54 C ATOM 757 O GLN A 51 -15.332 -4.223 5.185 1.00 5.65 O ATOM 758 CB GLN A 51 -13.681 -2.335 3.879 1.00 4.01 C ATOM 759 CG GLN A 51 -14.593 -2.535 2.679 1.00 2.96 C ATOM 760 CD GLN A 51 -15.139 -1.227 2.154 1.00 2.48 C ATOM 761 OE1 GLN A 51 -16.222 -0.794 2.543 1.00 2.75 O ATOM 762 NE2 GLN A 51 -14.374 -0.572 1.295 1.00 2.21 N ATOM 0 H GLN A 51 -13.511 -4.934 2.894 1.00 3.84 H new ATOM 0 HA GLN A 51 -12.244 -3.338 5.052 1.00 4.55 H new ATOM 0 HB2 GLN A 51 -14.233 -1.804 4.655 1.00 4.01 H new ATOM 0 HB3 GLN A 51 -12.850 -1.695 3.585 1.00 4.01 H new ATOM 0 HG2 GLN A 51 -14.042 -3.041 1.886 1.00 2.96 H new ATOM 0 HG3 GLN A 51 -15.421 -3.187 2.958 1.00 2.96 H new ATOM 0 HE21 GLN A 51 -13.482 -0.970 1.000 1.00 2.21 H new ATOM 0 HE22 GLN A 51 -14.676 0.331 0.928 1.00 2.21 H new ATOM 771 N LEU A 52 -13.585 -5.034 6.334 1.00 6.35 N ATOM 772 CA LEU A 52 -14.385 -5.895 7.173 1.00 7.37 C ATOM 773 C LEU A 52 -14.834 -5.157 8.420 1.00 8.31 C ATOM 774 O LEU A 52 -14.128 -5.117 9.427 1.00 9.00 O ATOM 775 CB LEU A 52 -13.603 -7.160 7.530 1.00 7.77 C ATOM 776 CG LEU A 52 -13.620 -8.285 6.482 1.00 7.13 C ATOM 777 CD1 LEU A 52 -15.048 -8.723 6.175 1.00 6.91 C ATOM 778 CD2 LEU A 52 -12.897 -7.866 5.206 1.00 7.10 C ATOM 0 H LEU A 52 -12.589 -5.038 6.555 1.00 6.35 H new ATOM 0 HA LEU A 52 -15.278 -6.192 6.622 1.00 7.37 H new ATOM 0 HB2 LEU A 52 -12.566 -6.881 7.717 1.00 7.77 H new ATOM 0 HB3 LEU A 52 -14.000 -7.556 8.465 1.00 7.77 H new ATOM 0 HG LEU A 52 -13.086 -9.136 6.904 1.00 7.13 H new ATOM 0 HD11 LEU A 52 -15.032 -9.519 5.431 1.00 6.91 H new ATOM 0 HD12 LEU A 52 -15.521 -9.088 7.087 1.00 6.91 H new ATOM 0 HD13 LEU A 52 -15.613 -7.875 5.787 1.00 6.91 H new ATOM 0 HD21 LEU A 52 -12.927 -8.683 4.486 1.00 7.10 H new ATOM 0 HD22 LEU A 52 -13.387 -6.990 4.781 1.00 7.10 H new ATOM 0 HD23 LEU A 52 -11.860 -7.625 5.438 1.00 7.10 H new ATOM 790 N SER A 53 -15.998 -4.540 8.315 1.00 8.34 N ATOM 791 CA SER A 53 -16.588 -3.800 9.413 1.00 9.25 C ATOM 792 C SER A 53 -17.975 -4.361 9.725 1.00 9.26 C ATOM 793 O SER A 53 -18.100 -5.117 10.708 1.00 9.68 O ATOM 794 CB SER A 53 -16.675 -2.314 9.052 1.00 9.66 C ATOM 795 OG SER A 53 -15.439 -1.846 8.524 1.00 10.04 O ATOM 796 OXT SER A 53 -18.925 -4.073 8.967 1.00 9.00 O ATOM 0 H SER A 53 -16.560 -4.539 7.464 1.00 8.34 H new ATOM 0 HA SER A 53 -15.962 -3.904 10.299 1.00 9.25 H new ATOM 0 HB2 SER A 53 -17.469 -2.159 8.321 1.00 9.66 H new ATOM 0 HB3 SER A 53 -16.939 -1.736 9.937 1.00 9.66 H new ATOM 0 HG SER A 53 -15.518 -0.895 8.299 1.00 10.04 H new TER 802 SER A 53