USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 644 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc=-0.00798 (180deg=-0.901) USER MOD Single : A 7 SER OG : rot 49:sc= 1.25 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 136:sc= 1.94 USER MOD Single : A 14 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.014) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.11) USER MOD Single : A 24 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.098) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.00599) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 32 THR OG1 : rot 60:sc= -0.631 USER MOD Single : A 34 ASN : amide:sc= -0.675 X(o=-0.67,f=-0.7) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.63! C(o=-3.6!,f=-1.8!) USER MOD Single : A 37 SER OG : rot 126:sc= 0.513 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.673 K(o=-0.67,f=-0.16) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 118:sc= -1.72! USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 50 THR OG1 : rot 170:sc= -0.278 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.22 K(o=-1.2,f=-3.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.24 USER MOD Single : A 62 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-0.69) USER MOD Single : A 66 SER OG : rot -18:sc= 1.44 USER MOD Single : A 67 THR OG1 : rot -150:sc= -0.767 USER MOD Single : A 69 ASN : amide:sc= -3.3 K(o=-3.3,f=-1.4) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.683 K(o=-0.68,f=0.094) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.917 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.110 2.124 2.465 1.00 14.44 N ATOM 2 CA MET A 1 1.253 2.367 1.310 1.00 32.25 C ATOM 3 C MET A 1 2.042 3.005 0.172 1.00 5.02 C ATOM 4 O MET A 1 3.088 3.621 0.379 1.00 11.43 O ATOM 5 CB MET A 1 0.079 3.267 1.700 1.00 74.13 C ATOM 6 CG MET A 1 0.472 4.419 2.610 1.00 33.12 C ATOM 7 SD MET A 1 -0.038 4.158 4.320 1.00 54.11 S ATOM 8 CE MET A 1 1.491 4.505 5.186 1.00 74.30 C ATOM 0 H1 MET A 1 1.552 2.218 3.337 1.00 14.44 H new ATOM 0 H2 MET A 1 2.504 1.163 2.409 1.00 14.44 H new ATOM 0 H3 MET A 1 2.886 2.817 2.474 1.00 14.44 H new ATOM 0 HA MET A 1 0.867 1.407 0.967 1.00 32.25 H new ATOM 0 HB2 MET A 1 -0.376 3.669 0.795 1.00 74.13 H new ATOM 0 HB3 MET A 1 -0.680 2.664 2.198 1.00 74.13 H new ATOM 0 HG2 MET A 1 1.553 4.553 2.574 1.00 33.12 H new ATOM 0 HG3 MET A 1 0.024 5.340 2.238 1.00 33.12 H new ATOM 0 HE1 MET A 1 1.337 4.386 6.258 1.00 74.30 H new ATOM 0 HE2 MET A 1 2.264 3.813 4.851 1.00 74.30 H new ATOM 0 HE3 MET A 1 1.804 5.528 4.976 1.00 74.30 H new ATOM 18 N PRO A 2 1.533 2.855 -1.060 1.00 1.14 N ATOM 19 CA PRO A 2 2.175 3.410 -2.255 1.00 2.33 C ATOM 20 C PRO A 2 2.096 4.932 -2.301 1.00 43.41 C ATOM 21 O PRO A 2 1.165 5.532 -1.764 1.00 23.30 O ATOM 22 CB PRO A 2 1.373 2.798 -3.405 1.00 73.04 C ATOM 23 CG PRO A 2 0.038 2.496 -2.817 1.00 74.34 C ATOM 24 CD PRO A 2 0.291 2.133 -1.380 1.00 73.43 C ATOM 0 HA PRO A 2 3.240 3.180 -2.290 1.00 2.33 H new ATOM 0 HB2 PRO A 2 1.289 3.491 -4.242 1.00 73.04 H new ATOM 0 HB3 PRO A 2 1.852 1.895 -3.785 1.00 73.04 H new ATOM 0 HG2 PRO A 2 -0.625 3.358 -2.891 1.00 74.34 H new ATOM 0 HG3 PRO A 2 -0.446 1.676 -3.347 1.00 74.34 H new ATOM 0 HD2 PRO A 2 -0.532 2.444 -0.736 1.00 73.43 H new ATOM 0 HD3 PRO A 2 0.407 1.057 -1.252 1.00 73.43 H new ATOM 32 N ALA A 3 3.079 5.552 -2.947 1.00 20.13 N ATOM 33 CA ALA A 3 3.119 7.004 -3.065 1.00 51.10 C ATOM 34 C ALA A 3 4.292 7.452 -3.930 1.00 4.45 C ATOM 35 O ALA A 3 5.422 7.004 -3.739 1.00 65.05 O ATOM 36 CB ALA A 3 3.201 7.644 -1.687 1.00 63.10 C ATOM 0 H ALA A 3 3.858 5.071 -3.396 1.00 20.13 H new ATOM 0 HA ALA A 3 2.199 7.330 -3.550 1.00 51.10 H new ATOM 0 HB1 ALA A 3 3.230 8.729 -1.791 1.00 63.10 H new ATOM 0 HB2 ALA A 3 2.327 7.359 -1.101 1.00 63.10 H new ATOM 0 HB3 ALA A 3 4.104 7.304 -1.181 1.00 63.10 H new ATOM 42 N ALA A 4 4.016 8.339 -4.880 1.00 42.21 N ATOM 43 CA ALA A 4 5.050 8.849 -5.773 1.00 34.12 C ATOM 44 C ALA A 4 4.991 10.370 -5.869 1.00 74.43 C ATOM 45 O ALA A 4 3.915 10.965 -5.796 1.00 50.34 O ATOM 46 CB ALA A 4 4.909 8.225 -7.153 1.00 63.33 C ATOM 0 H ALA A 4 3.085 8.720 -5.051 1.00 42.21 H new ATOM 0 HA ALA A 4 6.021 8.575 -5.360 1.00 34.12 H new ATOM 0 HB1 ALA A 4 5.687 8.614 -7.810 1.00 63.33 H new ATOM 0 HB2 ALA A 4 5.009 7.142 -7.075 1.00 63.33 H new ATOM 0 HB3 ALA A 4 3.930 8.470 -7.565 1.00 63.33 H new ATOM 52 N LEU A 5 6.152 10.993 -6.033 1.00 24.32 N ATOM 53 CA LEU A 5 6.233 12.445 -6.139 1.00 1.53 C ATOM 54 C LEU A 5 5.213 12.976 -7.141 1.00 63.13 C ATOM 55 O LEU A 5 4.913 12.324 -8.142 1.00 5.13 O ATOM 56 CB LEU A 5 7.643 12.869 -6.556 1.00 33.45 C ATOM 57 CG LEU A 5 8.216 12.170 -7.789 1.00 51.21 C ATOM 58 CD1 LEU A 5 9.018 13.149 -8.632 1.00 45.11 C ATOM 59 CD2 LEU A 5 9.078 10.985 -7.379 1.00 1.32 C ATOM 0 H LEU A 5 7.051 10.515 -6.096 1.00 24.32 H new ATOM 0 HA LEU A 5 6.008 12.868 -5.160 1.00 1.53 H new ATOM 0 HB2 LEU A 5 7.638 13.943 -6.741 1.00 33.45 H new ATOM 0 HB3 LEU A 5 8.317 12.693 -5.717 1.00 33.45 H new ATOM 0 HG LEU A 5 7.387 11.798 -8.391 1.00 51.21 H new ATOM 0 HD11 LEU A 5 9.418 12.634 -9.505 1.00 45.11 H new ATOM 0 HD12 LEU A 5 8.372 13.965 -8.956 1.00 45.11 H new ATOM 0 HD13 LEU A 5 9.840 13.551 -8.040 1.00 45.11 H new ATOM 0 HD21 LEU A 5 9.477 10.500 -8.270 1.00 1.32 H new ATOM 0 HD22 LEU A 5 9.902 11.333 -6.755 1.00 1.32 H new ATOM 0 HD23 LEU A 5 8.474 10.272 -6.818 1.00 1.32 H new ATOM 71 N VAL A 6 4.684 14.164 -6.867 1.00 45.33 N ATOM 72 CA VAL A 6 3.701 14.784 -7.747 1.00 13.53 C ATOM 73 C VAL A 6 3.763 16.305 -7.655 1.00 40.02 C ATOM 74 O VAL A 6 3.632 17.004 -8.660 1.00 73.52 O ATOM 75 CB VAL A 6 2.272 14.319 -7.408 1.00 22.13 C ATOM 76 CG1 VAL A 6 1.245 15.172 -8.137 1.00 22.15 C ATOM 77 CG2 VAL A 6 2.096 12.848 -7.752 1.00 21.42 C ATOM 0 H VAL A 6 4.920 14.716 -6.043 1.00 45.33 H new ATOM 0 HA VAL A 6 3.945 14.474 -8.763 1.00 13.53 H new ATOM 0 HB VAL A 6 2.114 14.440 -6.336 1.00 22.13 H new ATOM 0 HG11 VAL A 6 0.242 14.828 -7.885 1.00 22.15 H new ATOM 0 HG12 VAL A 6 1.358 16.214 -7.836 1.00 22.15 H new ATOM 0 HG13 VAL A 6 1.398 15.086 -9.213 1.00 22.15 H new ATOM 0 HG21 VAL A 6 1.081 12.536 -7.506 1.00 21.42 H new ATOM 0 HG22 VAL A 6 2.273 12.700 -8.817 1.00 21.42 H new ATOM 0 HG23 VAL A 6 2.807 12.253 -7.179 1.00 21.42 H new ATOM 87 N SER A 7 3.965 16.812 -6.443 1.00 72.30 N ATOM 88 CA SER A 7 4.041 18.251 -6.219 1.00 25.50 C ATOM 89 C SER A 7 4.216 18.561 -4.735 1.00 62.25 C ATOM 90 O SER A 7 4.002 17.700 -3.881 1.00 45.20 O ATOM 91 CB SER A 7 2.783 18.939 -6.751 1.00 33.43 C ATOM 92 OG SER A 7 2.982 19.417 -8.070 1.00 13.34 O ATOM 0 H SER A 7 4.079 16.248 -5.601 1.00 72.30 H new ATOM 0 HA SER A 7 4.909 18.632 -6.757 1.00 25.50 H new ATOM 0 HB2 SER A 7 1.948 18.238 -6.737 1.00 33.43 H new ATOM 0 HB3 SER A 7 2.514 19.768 -6.097 1.00 33.43 H new ATOM 0 HG SER A 7 3.378 18.708 -8.619 1.00 13.34 H new ATOM 98 N ILE A 8 4.606 19.796 -4.438 1.00 20.43 N ATOM 99 CA ILE A 8 4.809 20.220 -3.058 1.00 54.42 C ATOM 100 C ILE A 8 4.470 21.697 -2.882 1.00 62.14 C ATOM 101 O ILE A 8 4.530 22.476 -3.834 1.00 22.42 O ATOM 102 CB ILE A 8 6.260 19.980 -2.603 1.00 0.25 C ATOM 103 CG1 ILE A 8 7.204 20.968 -3.291 1.00 11.54 C ATOM 104 CG2 ILE A 8 6.678 18.547 -2.898 1.00 14.31 C ATOM 105 CD1 ILE A 8 8.661 20.753 -2.945 1.00 73.04 C ATOM 0 H ILE A 8 4.788 20.520 -5.133 1.00 20.43 H new ATOM 0 HA ILE A 8 4.140 19.620 -2.441 1.00 54.42 H new ATOM 0 HB ILE A 8 6.318 20.141 -1.526 1.00 0.25 H new ATOM 0 HG12 ILE A 8 7.079 20.885 -4.371 1.00 11.54 H new ATOM 0 HG13 ILE A 8 6.919 21.983 -3.014 1.00 11.54 H new ATOM 0 HG21 ILE A 8 7.706 18.393 -2.571 1.00 14.31 H new ATOM 0 HG22 ILE A 8 6.021 17.859 -2.366 1.00 14.31 H new ATOM 0 HG23 ILE A 8 6.607 18.360 -3.970 1.00 14.31 H new ATOM 0 HD11 ILE A 8 9.272 21.489 -3.468 1.00 73.04 H new ATOM 0 HD12 ILE A 8 8.800 20.865 -1.870 1.00 73.04 H new ATOM 0 HD13 ILE A 8 8.963 19.750 -3.247 1.00 73.04 H new ATOM 117 N SER A 9 4.116 22.076 -1.658 1.00 61.45 N ATOM 118 CA SER A 9 3.766 23.459 -1.357 1.00 62.25 C ATOM 119 C SER A 9 4.815 24.100 -0.454 1.00 41.33 C ATOM 120 O SER A 9 4.920 23.770 0.727 1.00 71.00 O ATOM 121 CB SER A 9 2.392 23.525 -0.689 1.00 54.50 C ATOM 122 OG SER A 9 1.424 24.076 -1.566 1.00 61.42 O ATOM 0 H SER A 9 4.064 21.444 -0.859 1.00 61.45 H new ATOM 0 HA SER A 9 3.733 24.013 -2.295 1.00 62.25 H new ATOM 0 HB2 SER A 9 2.084 22.525 -0.384 1.00 54.50 H new ATOM 0 HB3 SER A 9 2.453 24.129 0.216 1.00 54.50 H new ATOM 0 HG SER A 9 0.554 24.106 -1.116 1.00 61.42 H new ATOM 128 N VAL A 10 5.591 25.020 -1.019 1.00 53.24 N ATOM 129 CA VAL A 10 6.631 25.710 -0.267 1.00 4.04 C ATOM 130 C VAL A 10 6.390 27.215 -0.248 1.00 11.25 C ATOM 131 O VAL A 10 6.065 27.815 -1.272 1.00 41.21 O ATOM 132 CB VAL A 10 8.027 25.433 -0.855 1.00 64.42 C ATOM 133 CG1 VAL A 10 9.112 25.974 0.064 1.00 51.13 C ATOM 134 CG2 VAL A 10 8.217 23.943 -1.097 1.00 32.32 C ATOM 0 H VAL A 10 5.518 25.304 -1.996 1.00 53.24 H new ATOM 0 HA VAL A 10 6.591 25.326 0.752 1.00 4.04 H new ATOM 0 HB VAL A 10 8.106 25.947 -1.813 1.00 64.42 H new ATOM 0 HG11 VAL A 10 10.091 25.769 -0.369 1.00 51.13 H new ATOM 0 HG12 VAL A 10 8.986 27.050 0.182 1.00 51.13 H new ATOM 0 HG13 VAL A 10 9.037 25.491 1.038 1.00 51.13 H new ATOM 0 HG21 VAL A 10 9.209 23.765 -1.513 1.00 32.32 H new ATOM 0 HG22 VAL A 10 8.117 23.406 -0.154 1.00 32.32 H new ATOM 0 HG23 VAL A 10 7.461 23.589 -1.798 1.00 32.32 H new ATOM 144 N SER A 11 6.551 27.820 0.925 1.00 3.10 N ATOM 145 CA SER A 11 6.348 29.256 1.079 1.00 73.21 C ATOM 146 C SER A 11 7.653 29.953 1.449 1.00 2.12 C ATOM 147 O SER A 11 7.827 30.452 2.561 1.00 34.13 O ATOM 148 CB SER A 11 5.289 29.530 2.148 1.00 15.32 C ATOM 149 OG SER A 11 3.987 29.539 1.587 1.00 44.01 O ATOM 0 H SER A 11 6.821 27.338 1.782 1.00 3.10 H new ATOM 0 HA SER A 11 6.003 29.654 0.125 1.00 73.21 H new ATOM 0 HB2 SER A 11 5.348 28.769 2.926 1.00 15.32 H new ATOM 0 HB3 SER A 11 5.489 30.489 2.625 1.00 15.32 H new ATOM 0 HG SER A 11 3.329 29.715 2.291 1.00 44.01 H new ATOM 155 N PRO A 12 8.595 29.989 0.495 1.00 51.32 N ATOM 156 CA PRO A 12 9.902 30.623 0.696 1.00 75.14 C ATOM 157 C PRO A 12 9.801 32.141 0.791 1.00 11.41 C ATOM 158 O PRO A 12 8.860 32.746 0.275 1.00 20.12 O ATOM 159 CB PRO A 12 10.688 30.217 -0.553 1.00 24.41 C ATOM 160 CG PRO A 12 9.649 29.961 -1.589 1.00 41.33 C ATOM 161 CD PRO A 12 8.457 29.415 -0.854 1.00 54.01 C ATOM 0 HA PRO A 12 10.368 30.310 1.630 1.00 75.14 H new ATOM 0 HB2 PRO A 12 11.371 31.007 -0.865 1.00 24.41 H new ATOM 0 HB3 PRO A 12 11.291 29.328 -0.369 1.00 24.41 H new ATOM 0 HG2 PRO A 12 9.393 30.878 -2.120 1.00 41.33 H new ATOM 0 HG3 PRO A 12 10.007 29.250 -2.334 1.00 41.33 H new ATOM 0 HD2 PRO A 12 7.522 29.717 -1.325 1.00 54.01 H new ATOM 0 HD3 PRO A 12 8.465 28.325 -0.830 1.00 54.01 H new ATOM 169 N THR A 13 10.777 32.754 1.454 1.00 12.22 N ATOM 170 CA THR A 13 10.798 34.202 1.618 1.00 54.22 C ATOM 171 C THR A 13 12.008 34.817 0.923 1.00 34.34 C ATOM 172 O THR A 13 13.145 34.616 1.346 1.00 44.22 O ATOM 173 CB THR A 13 10.818 34.599 3.106 1.00 53.20 C ATOM 174 OG1 THR A 13 9.639 34.113 3.759 1.00 43.24 O ATOM 175 CG2 THR A 13 10.903 36.110 3.262 1.00 64.00 C ATOM 0 H THR A 13 11.564 32.269 1.886 1.00 12.22 H new ATOM 0 HA THR A 13 9.886 34.585 1.160 1.00 54.22 H new ATOM 0 HB THR A 13 11.699 34.152 3.567 1.00 53.20 H new ATOM 0 HG1 THR A 13 9.883 33.714 4.620 1.00 43.24 H new ATOM 0 HG21 THR A 13 10.916 36.366 4.321 1.00 64.00 H new ATOM 0 HG22 THR A 13 11.816 36.474 2.790 1.00 64.00 H new ATOM 0 HG23 THR A 13 10.039 36.574 2.787 1.00 64.00 H new ATOM 183 N ASN A 14 11.754 35.567 -0.144 1.00 72.52 N ATOM 184 CA ASN A 14 12.824 36.211 -0.897 1.00 75.15 C ATOM 185 C ASN A 14 13.164 37.573 -0.301 1.00 43.33 C ATOM 186 O ASN A 14 12.907 37.830 0.875 1.00 74.33 O ATOM 187 CB ASN A 14 12.418 36.370 -2.364 1.00 42.42 C ATOM 188 CG ASN A 14 11.609 35.193 -2.872 1.00 21.51 C ATOM 189 OD1 ASN A 14 12.165 34.207 -3.357 1.00 35.43 O ATOM 190 ND2 ASN A 14 10.289 35.290 -2.763 1.00 3.44 N ATOM 0 H ASN A 14 10.817 35.744 -0.507 1.00 72.52 H new ATOM 0 HA ASN A 14 13.709 35.578 -0.838 1.00 75.15 H new ATOM 0 HB2 ASN A 14 11.836 37.284 -2.480 1.00 42.42 H new ATOM 0 HB3 ASN A 14 13.313 36.483 -2.975 1.00 42.42 H new ATOM 0 HD21 ASN A 14 9.693 34.529 -3.088 1.00 3.44 H new ATOM 0 HD22 ASN A 14 9.871 36.126 -2.354 1.00 3.44 H new ATOM 197 N SER A 15 13.745 38.444 -1.121 1.00 75.45 N ATOM 198 CA SER A 15 14.124 39.779 -0.675 1.00 33.01 C ATOM 199 C SER A 15 15.330 39.718 0.257 1.00 43.13 C ATOM 200 O SER A 15 15.962 38.672 0.407 1.00 31.44 O ATOM 201 CB SER A 15 12.950 40.455 0.036 1.00 34.52 C ATOM 202 OG SER A 15 12.692 41.736 -0.510 1.00 55.24 O ATOM 0 H SER A 15 13.963 38.248 -2.098 1.00 75.45 H new ATOM 0 HA SER A 15 14.394 40.365 -1.553 1.00 33.01 H new ATOM 0 HB2 SER A 15 12.060 39.832 -0.053 1.00 34.52 H new ATOM 0 HB3 SER A 15 13.169 40.547 1.100 1.00 34.52 H new ATOM 0 HG SER A 15 11.936 42.146 -0.040 1.00 55.24 H new ATOM 208 N THR A 16 15.646 40.849 0.881 1.00 32.30 N ATOM 209 CA THR A 16 16.777 40.926 1.797 1.00 14.02 C ATOM 210 C THR A 16 16.307 41.012 3.245 1.00 74.42 C ATOM 211 O THR A 16 15.169 41.394 3.517 1.00 14.30 O ATOM 212 CB THR A 16 17.669 42.142 1.486 1.00 2.34 C ATOM 213 OG1 THR A 16 17.172 43.301 2.165 1.00 22.14 O ATOM 214 CG2 THR A 16 17.720 42.408 -0.011 1.00 14.25 C ATOM 0 H THR A 16 15.134 41.724 0.768 1.00 32.30 H new ATOM 0 HA THR A 16 17.358 40.014 1.660 1.00 14.02 H new ATOM 0 HB THR A 16 18.678 41.922 1.834 1.00 2.34 H new ATOM 0 HG1 THR A 16 17.746 44.069 1.963 1.00 22.14 H new ATOM 0 HG21 THR A 16 18.356 43.272 -0.206 1.00 14.25 H new ATOM 0 HG22 THR A 16 18.127 41.535 -0.522 1.00 14.25 H new ATOM 0 HG23 THR A 16 16.714 42.608 -0.379 1.00 14.25 H new ATOM 222 N VAL A 17 17.190 40.653 4.171 1.00 0.32 N ATOM 223 CA VAL A 17 16.866 40.691 5.592 1.00 12.51 C ATOM 224 C VAL A 17 17.922 41.461 6.376 1.00 5.15 C ATOM 225 O VAL A 17 19.072 41.567 5.950 1.00 20.22 O ATOM 226 CB VAL A 17 16.740 39.272 6.177 1.00 1.34 C ATOM 227 CG1 VAL A 17 18.100 38.594 6.230 1.00 64.32 C ATOM 228 CG2 VAL A 17 16.106 39.321 7.559 1.00 34.42 C ATOM 0 H VAL A 17 18.136 40.332 3.963 1.00 0.32 H new ATOM 0 HA VAL A 17 15.907 41.200 5.685 1.00 12.51 H new ATOM 0 HB VAL A 17 16.093 38.685 5.525 1.00 1.34 H new ATOM 0 HG11 VAL A 17 17.991 37.592 6.646 1.00 64.32 H new ATOM 0 HG12 VAL A 17 18.512 38.526 5.223 1.00 64.32 H new ATOM 0 HG13 VAL A 17 18.773 39.177 6.859 1.00 64.32 H new ATOM 0 HG21 VAL A 17 16.024 38.310 7.958 1.00 34.42 H new ATOM 0 HG22 VAL A 17 16.726 39.924 8.223 1.00 34.42 H new ATOM 0 HG23 VAL A 17 15.113 39.764 7.488 1.00 34.42 H new ATOM 238 N ALA A 18 17.525 41.997 7.526 1.00 71.11 N ATOM 239 CA ALA A 18 18.438 42.755 8.372 1.00 63.12 C ATOM 240 C ALA A 18 19.487 41.844 9.001 1.00 3.40 C ATOM 241 O ALA A 18 19.287 40.635 9.114 1.00 23.15 O ATOM 242 CB ALA A 18 17.665 43.497 9.452 1.00 53.05 C ATOM 0 H ALA A 18 16.576 41.920 7.893 1.00 71.11 H new ATOM 0 HA ALA A 18 18.954 43.483 7.746 1.00 63.12 H new ATOM 0 HB1 ALA A 18 18.360 44.059 10.076 1.00 53.05 H new ATOM 0 HB2 ALA A 18 16.958 44.184 8.987 1.00 53.05 H new ATOM 0 HB3 ALA A 18 17.122 42.780 10.068 1.00 53.05 H new ATOM 248 N LYS A 19 20.607 42.433 9.408 1.00 31.34 N ATOM 249 CA LYS A 19 21.688 41.675 10.027 1.00 3.31 C ATOM 250 C LYS A 19 21.166 40.823 11.180 1.00 40.45 C ATOM 251 O LYS A 19 20.565 41.338 12.121 1.00 34.35 O ATOM 252 CB LYS A 19 22.778 42.623 10.533 1.00 42.22 C ATOM 253 CG LYS A 19 24.180 42.047 10.433 1.00 51.04 C ATOM 254 CD LYS A 19 24.461 41.064 11.557 1.00 55.30 C ATOM 255 CE LYS A 19 25.821 40.403 11.393 1.00 14.42 C ATOM 256 NZ LYS A 19 26.880 41.116 12.160 1.00 53.54 N ATOM 0 H LYS A 19 20.789 43.433 9.320 1.00 31.34 H new ATOM 0 HA LYS A 19 22.112 41.013 9.272 1.00 3.31 H new ATOM 0 HB2 LYS A 19 22.734 43.551 9.963 1.00 42.22 H new ATOM 0 HB3 LYS A 19 22.572 42.878 11.573 1.00 42.22 H new ATOM 0 HG2 LYS A 19 24.301 41.547 9.472 1.00 51.04 H new ATOM 0 HG3 LYS A 19 24.910 42.856 10.465 1.00 51.04 H new ATOM 0 HD2 LYS A 19 24.421 41.583 12.514 1.00 55.30 H new ATOM 0 HD3 LYS A 19 23.684 40.300 11.576 1.00 55.30 H new ATOM 0 HE2 LYS A 19 25.764 39.367 11.729 1.00 14.42 H new ATOM 0 HE3 LYS A 19 26.089 40.382 10.337 1.00 14.42 H new ATOM 0 HZ1 LYS A 19 27.792 40.635 12.022 1.00 53.54 H new ATOM 0 HZ2 LYS A 19 26.952 42.097 11.823 1.00 53.54 H new ATOM 0 HZ3 LYS A 19 26.637 41.114 13.171 1.00 53.54 H new ATOM 270 N GLY A 20 21.401 39.517 11.098 1.00 4.23 N ATOM 271 CA GLY A 20 20.949 38.616 12.142 1.00 61.34 C ATOM 272 C GLY A 20 19.438 38.556 12.241 1.00 33.12 C ATOM 273 O GLY A 20 18.797 39.521 12.660 1.00 30.24 O ATOM 0 H GLY A 20 21.896 39.067 10.328 1.00 4.23 H new ATOM 0 HA2 GLY A 20 21.337 37.616 11.948 1.00 61.34 H new ATOM 0 HA3 GLY A 20 21.360 38.938 13.099 1.00 61.34 H new ATOM 277 N LEU A 21 18.865 37.421 11.854 1.00 44.51 N ATOM 278 CA LEU A 21 17.419 37.240 11.900 1.00 74.22 C ATOM 279 C LEU A 21 17.046 35.777 11.681 1.00 24.25 C ATOM 280 O LEU A 21 17.756 35.042 10.995 1.00 3.22 O ATOM 281 CB LEU A 21 16.741 38.114 10.843 1.00 63.53 C ATOM 282 CG LEU A 21 15.589 38.990 11.334 1.00 33.13 C ATOM 283 CD1 LEU A 21 15.897 40.460 11.096 1.00 11.04 C ATOM 284 CD2 LEU A 21 14.289 38.597 10.646 1.00 3.45 C ATOM 0 H LEU A 21 19.380 36.613 11.505 1.00 44.51 H new ATOM 0 HA LEU A 21 17.072 37.541 12.888 1.00 74.22 H new ATOM 0 HB2 LEU A 21 17.497 38.760 10.396 1.00 63.53 H new ATOM 0 HB3 LEU A 21 16.366 37.466 10.051 1.00 63.53 H new ATOM 0 HG LEU A 21 15.471 38.834 12.406 1.00 33.13 H new ATOM 0 HD11 LEU A 21 15.065 41.068 11.452 1.00 11.04 H new ATOM 0 HD12 LEU A 21 16.804 40.734 11.635 1.00 11.04 H new ATOM 0 HD13 LEU A 21 16.043 40.633 10.030 1.00 11.04 H new ATOM 0 HD21 LEU A 21 13.480 39.231 11.008 1.00 3.45 H new ATOM 0 HD22 LEU A 21 14.395 38.723 9.569 1.00 3.45 H new ATOM 0 HD23 LEU A 21 14.060 37.555 10.868 1.00 3.45 H new ATOM 296 N GLN A 22 15.928 35.362 12.268 1.00 1.20 N ATOM 297 CA GLN A 22 15.461 33.987 12.136 1.00 42.22 C ATOM 298 C GLN A 22 14.040 33.946 11.585 1.00 34.41 C ATOM 299 O GLN A 22 13.189 34.742 11.979 1.00 55.33 O ATOM 300 CB GLN A 22 15.518 33.275 13.488 1.00 30.32 C ATOM 301 CG GLN A 22 15.931 31.815 13.390 1.00 3.11 C ATOM 302 CD GLN A 22 16.574 31.304 14.664 1.00 32.44 C ATOM 303 OE1 GLN A 22 16.136 30.305 15.236 1.00 23.41 O ATOM 304 NE2 GLN A 22 17.618 31.987 15.117 1.00 43.32 N ATOM 0 H GLN A 22 15.329 35.958 12.839 1.00 1.20 H new ATOM 0 HA GLN A 22 16.118 33.472 11.435 1.00 42.22 H new ATOM 0 HB2 GLN A 22 16.220 33.800 14.136 1.00 30.32 H new ATOM 0 HB3 GLN A 22 14.539 33.336 13.963 1.00 30.32 H new ATOM 0 HG2 GLN A 22 15.055 31.208 13.161 1.00 3.11 H new ATOM 0 HG3 GLN A 22 16.629 31.693 12.561 1.00 3.11 H new ATOM 0 HE21 GLN A 22 17.948 32.809 14.611 1.00 43.32 H new ATOM 0 HE22 GLN A 22 18.090 31.690 15.971 1.00 43.32 H new ATOM 313 N GLU A 23 13.791 33.012 10.672 1.00 32.44 N ATOM 314 CA GLU A 23 12.472 32.868 10.067 1.00 11.02 C ATOM 315 C GLU A 23 12.022 31.410 10.084 1.00 54.15 C ATOM 316 O GLU A 23 12.837 30.496 9.970 1.00 44.30 O ATOM 317 CB GLU A 23 12.486 33.393 8.630 1.00 71.10 C ATOM 318 CG GLU A 23 13.066 34.791 8.498 1.00 11.12 C ATOM 319 CD GLU A 23 14.562 34.781 8.249 1.00 55.14 C ATOM 320 OE1 GLU A 23 14.971 34.480 7.108 1.00 24.13 O ATOM 321 OE2 GLU A 23 15.322 35.075 9.195 1.00 42.14 O ATOM 0 H GLU A 23 14.485 32.344 10.335 1.00 32.44 H new ATOM 0 HA GLU A 23 11.765 33.455 10.653 1.00 11.02 H new ATOM 0 HB2 GLU A 23 13.063 32.709 8.008 1.00 71.10 H new ATOM 0 HB3 GLU A 23 11.467 33.393 8.242 1.00 71.10 H new ATOM 0 HG2 GLU A 23 12.569 35.311 7.679 1.00 11.12 H new ATOM 0 HG3 GLU A 23 12.857 35.355 9.407 1.00 11.12 H new ATOM 328 N ASN A 24 10.717 31.201 10.226 1.00 12.53 N ATOM 329 CA ASN A 24 10.157 29.855 10.259 1.00 40.22 C ATOM 330 C ASN A 24 9.290 29.597 9.031 1.00 75.13 C ATOM 331 O ASN A 24 8.426 30.404 8.686 1.00 2.22 O ATOM 332 CB ASN A 24 9.332 29.654 11.531 1.00 12.15 C ATOM 333 CG ASN A 24 8.799 30.961 12.087 1.00 31.54 C ATOM 334 OD1 ASN A 24 7.658 31.341 11.823 1.00 2.02 O ATOM 335 ND2 ASN A 24 9.625 31.654 12.862 1.00 52.52 N ATOM 0 H ASN A 24 10.028 31.947 10.320 1.00 12.53 H new ATOM 0 HA ASN A 24 10.983 29.144 10.255 1.00 40.22 H new ATOM 0 HB2 ASN A 24 8.498 28.986 11.318 1.00 12.15 H new ATOM 0 HB3 ASN A 24 9.947 29.165 12.286 1.00 12.15 H new ATOM 0 HD21 ASN A 24 9.322 32.540 13.266 1.00 52.52 H new ATOM 0 HD22 ASN A 24 10.562 31.300 13.054 1.00 52.52 H new ATOM 342 N PHE A 25 9.525 28.466 8.374 1.00 33.42 N ATOM 343 CA PHE A 25 8.765 28.100 7.184 1.00 4.30 C ATOM 344 C PHE A 25 8.333 26.638 7.242 1.00 1.13 C ATOM 345 O PHE A 25 8.737 25.894 8.136 1.00 2.01 O ATOM 346 CB PHE A 25 9.600 28.348 5.925 1.00 35.53 C ATOM 347 CG PHE A 25 10.136 29.747 5.827 1.00 23.11 C ATOM 348 CD1 PHE A 25 9.291 30.838 5.954 1.00 25.41 C ATOM 349 CD2 PHE A 25 11.486 29.971 5.607 1.00 12.43 C ATOM 350 CE1 PHE A 25 9.782 32.127 5.865 1.00 62.34 C ATOM 351 CE2 PHE A 25 11.982 31.258 5.517 1.00 3.14 C ATOM 352 CZ PHE A 25 11.129 32.337 5.645 1.00 44.01 C ATOM 0 H PHE A 25 10.236 27.787 8.646 1.00 33.42 H new ATOM 0 HA PHE A 25 7.871 28.723 7.148 1.00 4.30 H new ATOM 0 HB2 PHE A 25 10.434 27.646 5.908 1.00 35.53 H new ATOM 0 HB3 PHE A 25 8.989 28.139 5.047 1.00 35.53 H new ATOM 0 HD1 PHE A 25 8.236 30.679 6.125 1.00 25.41 H new ATOM 0 HD2 PHE A 25 12.157 29.131 5.505 1.00 12.43 H new ATOM 0 HE1 PHE A 25 9.113 32.969 5.967 1.00 62.34 H new ATOM 0 HE2 PHE A 25 13.036 31.420 5.347 1.00 3.14 H new ATOM 0 HZ PHE A 25 11.515 33.343 5.573 1.00 44.01 H new ATOM 362 N LYS A 26 7.508 26.233 6.283 1.00 70.21 N ATOM 363 CA LYS A 26 7.020 24.860 6.222 1.00 13.24 C ATOM 364 C LYS A 26 6.876 24.397 4.776 1.00 24.02 C ATOM 365 O LYS A 26 6.741 25.212 3.864 1.00 24.01 O ATOM 366 CB LYS A 26 5.674 24.744 6.942 1.00 23.52 C ATOM 367 CG LYS A 26 5.794 24.722 8.456 1.00 22.22 C ATOM 368 CD LYS A 26 4.792 23.766 9.081 1.00 20.03 C ATOM 369 CE LYS A 26 5.355 22.357 9.185 1.00 63.14 C ATOM 370 NZ LYS A 26 4.607 21.396 8.328 1.00 52.14 N ATOM 0 H LYS A 26 7.163 26.836 5.537 1.00 70.21 H new ATOM 0 HA LYS A 26 7.748 24.219 6.719 1.00 13.24 H new ATOM 0 HB2 LYS A 26 5.041 25.581 6.648 1.00 23.52 H new ATOM 0 HB3 LYS A 26 5.172 23.834 6.612 1.00 23.52 H new ATOM 0 HG2 LYS A 26 6.805 24.426 8.737 1.00 22.22 H new ATOM 0 HG3 LYS A 26 5.634 25.726 8.849 1.00 22.22 H new ATOM 0 HD2 LYS A 26 4.517 24.123 10.073 1.00 20.03 H new ATOM 0 HD3 LYS A 26 3.880 23.751 8.484 1.00 20.03 H new ATOM 0 HE2 LYS A 26 6.405 22.363 8.893 1.00 63.14 H new ATOM 0 HE3 LYS A 26 5.315 22.026 10.223 1.00 63.14 H new ATOM 0 HZ1 LYS A 26 5.188 20.548 8.168 1.00 52.14 H new ATOM 0 HZ2 LYS A 26 3.722 21.125 8.801 1.00 52.14 H new ATOM 0 HZ3 LYS A 26 4.388 21.843 7.415 1.00 52.14 H new ATOM 384 N ALA A 27 6.905 23.084 4.575 1.00 65.33 N ATOM 385 CA ALA A 27 6.775 22.513 3.240 1.00 62.41 C ATOM 386 C ALA A 27 5.873 21.283 3.254 1.00 1.24 C ATOM 387 O ALA A 27 5.996 20.420 4.124 1.00 32.20 O ATOM 388 CB ALA A 27 8.145 22.158 2.682 1.00 64.33 C ATOM 0 H ALA A 27 7.017 22.396 5.319 1.00 65.33 H new ATOM 0 HA ALA A 27 6.315 23.262 2.595 1.00 62.41 H new ATOM 0 HB1 ALA A 27 8.033 21.733 1.685 1.00 64.33 H new ATOM 0 HB2 ALA A 27 8.759 23.057 2.626 1.00 64.33 H new ATOM 0 HB3 ALA A 27 8.626 21.430 3.335 1.00 64.33 H new ATOM 394 N THR A 28 4.965 21.210 2.286 1.00 21.41 N ATOM 395 CA THR A 28 4.041 20.087 2.189 1.00 71.12 C ATOM 396 C THR A 28 4.305 19.265 0.932 1.00 14.03 C ATOM 397 O THR A 28 4.328 19.798 -0.176 1.00 63.12 O ATOM 398 CB THR A 28 2.576 20.564 2.178 1.00 3.23 C ATOM 399 OG1 THR A 28 2.519 21.963 1.876 1.00 70.43 O ATOM 400 CG2 THR A 28 1.913 20.303 3.522 1.00 54.30 C ATOM 0 H THR A 28 4.850 21.915 1.558 1.00 21.41 H new ATOM 0 HA THR A 28 4.206 19.465 3.069 1.00 71.12 H new ATOM 0 HB THR A 28 2.040 20.005 1.411 1.00 3.23 H new ATOM 0 HG1 THR A 28 1.585 22.258 1.869 1.00 70.43 H new ATOM 0 HG21 THR A 28 0.879 20.648 3.491 1.00 54.30 H new ATOM 0 HG22 THR A 28 1.933 19.234 3.736 1.00 54.30 H new ATOM 0 HG23 THR A 28 2.451 20.840 4.303 1.00 54.30 H new ATOM 408 N GLY A 29 4.502 17.963 1.113 1.00 32.51 N ATOM 409 CA GLY A 29 4.761 17.088 -0.016 1.00 33.24 C ATOM 410 C GLY A 29 3.548 16.263 -0.400 1.00 42.42 C ATOM 411 O GLY A 29 2.917 15.640 0.454 1.00 51.32 O ATOM 0 H GLY A 29 4.487 17.498 2.021 1.00 32.51 H new ATOM 0 HA2 GLY A 29 5.075 17.687 -0.871 1.00 33.24 H new ATOM 0 HA3 GLY A 29 5.588 16.421 0.227 1.00 33.24 H new ATOM 415 N ILE A 30 3.221 16.261 -1.688 1.00 31.20 N ATOM 416 CA ILE A 30 2.076 15.507 -2.183 1.00 54.30 C ATOM 417 C ILE A 30 2.521 14.231 -2.890 1.00 12.43 C ATOM 418 O ILE A 30 3.616 14.168 -3.449 1.00 0.35 O ATOM 419 CB ILE A 30 1.225 16.348 -3.153 1.00 43.34 C ATOM 420 CG1 ILE A 30 1.065 17.774 -2.621 1.00 71.23 C ATOM 421 CG2 ILE A 30 -0.135 15.700 -3.365 1.00 24.35 C ATOM 422 CD1 ILE A 30 0.351 17.845 -1.290 1.00 31.14 C ATOM 0 H ILE A 30 3.732 16.773 -2.407 1.00 31.20 H new ATOM 0 HA ILE A 30 1.471 15.246 -1.315 1.00 54.30 H new ATOM 0 HB ILE A 30 1.737 16.394 -4.114 1.00 43.34 H new ATOM 0 HG12 ILE A 30 2.051 18.228 -2.520 1.00 71.23 H new ATOM 0 HG13 ILE A 30 0.514 18.366 -3.352 1.00 71.23 H new ATOM 0 HG21 ILE A 30 -0.724 16.307 -4.053 1.00 24.35 H new ATOM 0 HG22 ILE A 30 -0.001 14.703 -3.784 1.00 24.35 H new ATOM 0 HG23 ILE A 30 -0.655 15.626 -2.410 1.00 24.35 H new ATOM 0 HD11 ILE A 30 0.273 18.885 -0.974 1.00 31.14 H new ATOM 0 HD12 ILE A 30 -0.648 17.420 -1.390 1.00 31.14 H new ATOM 0 HD13 ILE A 30 0.912 17.281 -0.545 1.00 31.14 H new ATOM 434 N PHE A 31 1.663 13.217 -2.862 1.00 63.55 N ATOM 435 CA PHE A 31 1.967 11.941 -3.501 1.00 44.43 C ATOM 436 C PHE A 31 0.903 11.583 -4.534 1.00 34.22 C ATOM 437 O PHE A 31 -0.195 12.141 -4.531 1.00 32.20 O ATOM 438 CB PHE A 31 2.070 10.833 -2.452 1.00 22.31 C ATOM 439 CG PHE A 31 3.372 10.836 -1.702 1.00 34.10 C ATOM 440 CD1 PHE A 31 4.578 10.870 -2.382 1.00 42.13 C ATOM 441 CD2 PHE A 31 3.388 10.805 -0.317 1.00 3.41 C ATOM 442 CE1 PHE A 31 5.777 10.872 -1.695 1.00 0.35 C ATOM 443 CE2 PHE A 31 4.584 10.808 0.376 1.00 22.13 C ATOM 444 CZ PHE A 31 5.780 10.842 -0.314 1.00 0.44 C ATOM 0 H PHE A 31 0.752 13.253 -2.404 1.00 63.55 H new ATOM 0 HA PHE A 31 2.925 12.038 -4.012 1.00 44.43 H new ATOM 0 HB2 PHE A 31 1.250 10.939 -1.741 1.00 22.31 H new ATOM 0 HB3 PHE A 31 1.944 9.867 -2.942 1.00 22.31 H new ATOM 0 HD1 PHE A 31 4.581 10.895 -3.462 1.00 42.13 H new ATOM 0 HD2 PHE A 31 2.456 10.778 0.227 1.00 3.41 H new ATOM 0 HE1 PHE A 31 6.711 10.897 -2.237 1.00 0.35 H new ATOM 0 HE2 PHE A 31 4.583 10.784 1.456 1.00 22.13 H new ATOM 0 HZ PHE A 31 6.716 10.845 0.225 1.00 0.44 H new ATOM 454 N THR A 32 1.235 10.647 -5.418 1.00 3.03 N ATOM 455 CA THR A 32 0.310 10.214 -6.457 1.00 41.23 C ATOM 456 C THR A 32 -0.873 9.460 -5.861 1.00 63.53 C ATOM 457 O THR A 32 -1.880 9.235 -6.532 1.00 52.45 O ATOM 458 CB THR A 32 1.010 9.314 -7.493 1.00 31.12 C ATOM 459 OG1 THR A 32 2.173 9.972 -8.007 1.00 60.44 O ATOM 460 CG2 THR A 32 0.067 8.971 -8.637 1.00 23.15 C ATOM 0 H THR A 32 2.139 10.174 -5.435 1.00 3.03 H new ATOM 0 HA THR A 32 -0.051 11.114 -6.954 1.00 41.23 H new ATOM 0 HB THR A 32 1.306 8.389 -6.998 1.00 31.12 H new ATOM 0 HG1 THR A 32 2.793 10.161 -7.272 1.00 60.44 H new ATOM 0 HG21 THR A 32 0.583 8.335 -9.356 1.00 23.15 H new ATOM 0 HG22 THR A 32 -0.803 8.444 -8.246 1.00 23.15 H new ATOM 0 HG23 THR A 32 -0.256 9.888 -9.130 1.00 23.15 H new ATOM 468 N ASP A 33 -0.744 9.070 -4.598 1.00 10.53 N ATOM 469 CA ASP A 33 -1.804 8.342 -3.910 1.00 61.13 C ATOM 470 C ASP A 33 -2.784 9.305 -3.247 1.00 42.15 C ATOM 471 O ASP A 33 -3.585 8.907 -2.404 1.00 15.15 O ATOM 472 CB ASP A 33 -1.208 7.400 -2.863 1.00 31.01 C ATOM 473 CG ASP A 33 -0.558 8.147 -1.715 1.00 43.33 C ATOM 474 OD1 ASP A 33 -0.352 9.372 -1.845 1.00 51.54 O ATOM 475 OD2 ASP A 33 -0.255 7.507 -0.687 1.00 12.32 O ATOM 0 H ASP A 33 0.084 9.246 -4.029 1.00 10.53 H new ATOM 0 HA ASP A 33 -2.346 7.754 -4.650 1.00 61.13 H new ATOM 0 HB2 ASP A 33 -1.993 6.752 -2.473 1.00 31.01 H new ATOM 0 HB3 ASP A 33 -0.469 6.755 -3.338 1.00 31.01 H new ATOM 480 N ASN A 34 -2.712 10.574 -3.635 1.00 40.34 N ATOM 481 CA ASN A 34 -3.592 11.595 -3.077 1.00 63.15 C ATOM 482 C ASN A 34 -3.334 11.779 -1.585 1.00 63.11 C ATOM 483 O ASN A 34 -4.137 12.385 -0.876 1.00 3.11 O ATOM 484 CB ASN A 34 -5.056 11.218 -3.311 1.00 13.44 C ATOM 485 CG ASN A 34 -5.247 10.390 -4.567 1.00 15.43 C ATOM 486 OD1 ASN A 34 -4.884 10.814 -5.664 1.00 52.00 O ATOM 487 ND2 ASN A 34 -5.821 9.203 -4.411 1.00 23.24 N ATOM 0 H ASN A 34 -2.054 10.920 -4.333 1.00 40.34 H new ATOM 0 HA ASN A 34 -3.381 12.537 -3.582 1.00 63.15 H new ATOM 0 HB2 ASN A 34 -5.426 10.659 -2.451 1.00 13.44 H new ATOM 0 HB3 ASN A 34 -5.655 12.126 -3.383 1.00 13.44 H new ATOM 0 HD21 ASN A 34 -5.977 8.602 -5.220 1.00 23.24 H new ATOM 0 HD22 ASN A 34 -6.106 8.892 -3.482 1.00 23.24 H new ATOM 494 N SER A 35 -2.207 11.252 -1.115 1.00 74.25 N ATOM 495 CA SER A 35 -1.844 11.355 0.293 1.00 34.21 C ATOM 496 C SER A 35 -0.810 12.455 0.508 1.00 3.13 C ATOM 497 O SER A 35 0.285 12.411 -0.051 1.00 60.41 O ATOM 498 CB SER A 35 -1.298 10.019 0.800 1.00 63.33 C ATOM 499 OG SER A 35 -1.386 9.934 2.211 1.00 30.05 O ATOM 0 H SER A 35 -1.530 10.750 -1.689 1.00 74.25 H new ATOM 0 HA SER A 35 -2.742 11.609 0.857 1.00 34.21 H new ATOM 0 HB2 SER A 35 -1.856 9.199 0.348 1.00 63.33 H new ATOM 0 HB3 SER A 35 -0.259 9.906 0.490 1.00 63.33 H new ATOM 0 HG SER A 35 -1.032 9.070 2.509 1.00 30.05 H new ATOM 505 N ASN A 36 -1.166 13.442 1.324 1.00 41.32 N ATOM 506 CA ASN A 36 -0.269 14.555 1.614 1.00 53.54 C ATOM 507 C ASN A 36 0.572 14.268 2.853 1.00 24.40 C ATOM 508 O ASN A 36 0.085 13.694 3.827 1.00 25.40 O ATOM 509 CB ASN A 36 -1.070 15.843 1.815 1.00 12.51 C ATOM 510 CG ASN A 36 -0.198 17.004 2.254 1.00 71.03 C ATOM 511 OD1 ASN A 36 -0.551 17.749 3.168 1.00 51.44 O ATOM 512 ND2 ASN A 36 0.948 17.162 1.602 1.00 51.03 N ATOM 0 H ASN A 36 -2.069 13.494 1.796 1.00 41.32 H new ATOM 0 HA ASN A 36 0.401 14.680 0.763 1.00 53.54 H new ATOM 0 HB2 ASN A 36 -1.575 16.103 0.884 1.00 12.51 H new ATOM 0 HB3 ASN A 36 -1.846 15.672 2.561 1.00 12.51 H new ATOM 0 HD21 ASN A 36 1.576 17.925 1.853 1.00 51.03 H new ATOM 0 HD22 ASN A 36 1.200 16.520 0.851 1.00 51.03 H new ATOM 519 N SER A 37 1.838 14.671 2.809 1.00 41.01 N ATOM 520 CA SER A 37 2.749 14.454 3.927 1.00 60.23 C ATOM 521 C SER A 37 3.572 15.707 4.208 1.00 10.33 C ATOM 522 O SER A 37 4.175 16.284 3.303 1.00 72.12 O ATOM 523 CB SER A 37 3.679 13.275 3.633 1.00 72.12 C ATOM 524 OG SER A 37 3.034 12.306 2.825 1.00 34.42 O ATOM 0 H SER A 37 2.256 15.150 2.011 1.00 41.01 H new ATOM 0 HA SER A 37 2.153 14.226 4.811 1.00 60.23 H new ATOM 0 HB2 SER A 37 4.577 13.633 3.130 1.00 72.12 H new ATOM 0 HB3 SER A 37 3.999 12.818 4.569 1.00 72.12 H new ATOM 0 HG SER A 37 3.577 12.130 2.029 1.00 34.42 H new ATOM 530 N ASP A 38 3.592 16.123 5.470 1.00 52.13 N ATOM 531 CA ASP A 38 4.341 17.308 5.873 1.00 60.43 C ATOM 532 C ASP A 38 5.772 16.942 6.254 1.00 30.43 C ATOM 533 O ASP A 38 5.997 16.074 7.099 1.00 72.03 O ATOM 534 CB ASP A 38 3.648 18.000 7.047 1.00 1.51 C ATOM 535 CG ASP A 38 3.804 17.234 8.346 1.00 62.34 C ATOM 536 OD1 ASP A 38 3.394 16.055 8.392 1.00 14.01 O ATOM 537 OD2 ASP A 38 4.338 17.812 9.315 1.00 32.00 O ATOM 0 H ASP A 38 3.098 15.657 6.231 1.00 52.13 H new ATOM 0 HA ASP A 38 4.374 17.993 5.026 1.00 60.43 H new ATOM 0 HB2 ASP A 38 4.059 19.002 7.168 1.00 1.51 H new ATOM 0 HB3 ASP A 38 2.588 18.116 6.822 1.00 1.51 H new ATOM 542 N ILE A 39 6.735 17.608 5.626 1.00 21.44 N ATOM 543 CA ILE A 39 8.144 17.352 5.900 1.00 13.15 C ATOM 544 C ILE A 39 8.396 15.868 6.142 1.00 22.24 C ATOM 545 O ILE A 39 9.143 15.492 7.047 1.00 43.53 O ATOM 546 CB ILE A 39 8.633 18.151 7.123 1.00 22.41 C ATOM 547 CG1 ILE A 39 7.835 17.759 8.368 1.00 14.32 C ATOM 548 CG2 ILE A 39 8.517 19.645 6.861 1.00 64.32 C ATOM 549 CD1 ILE A 39 8.314 18.439 9.632 1.00 53.14 C ATOM 0 H ILE A 39 6.566 18.329 4.924 1.00 21.44 H new ATOM 0 HA ILE A 39 8.701 17.673 5.020 1.00 13.15 H new ATOM 0 HB ILE A 39 9.682 17.913 7.298 1.00 22.41 H new ATOM 0 HG12 ILE A 39 6.785 18.004 8.209 1.00 14.32 H new ATOM 0 HG13 ILE A 39 7.893 16.679 8.502 1.00 14.32 H new ATOM 0 HG21 ILE A 39 8.866 20.196 7.734 1.00 64.32 H new ATOM 0 HG22 ILE A 39 9.126 19.911 5.997 1.00 64.32 H new ATOM 0 HG23 ILE A 39 7.476 19.900 6.664 1.00 64.32 H new ATOM 0 HD11 ILE A 39 7.703 18.114 10.474 1.00 53.14 H new ATOM 0 HD12 ILE A 39 9.355 18.174 9.816 1.00 53.14 H new ATOM 0 HD13 ILE A 39 8.230 19.520 9.518 1.00 53.14 H new ATOM 561 N THR A 40 7.769 15.026 5.327 1.00 64.34 N ATOM 562 CA THR A 40 7.926 13.582 5.451 1.00 42.12 C ATOM 563 C THR A 40 9.347 13.152 5.106 1.00 62.32 C ATOM 564 O THR A 40 9.924 12.290 5.770 1.00 12.53 O ATOM 565 CB THR A 40 6.938 12.829 4.540 1.00 44.33 C ATOM 566 OG1 THR A 40 7.140 11.417 4.660 1.00 34.34 O ATOM 567 CG2 THR A 40 7.113 13.249 3.088 1.00 3.31 C ATOM 0 H THR A 40 7.147 15.319 4.573 1.00 64.34 H new ATOM 0 HA THR A 40 7.715 13.329 6.490 1.00 42.12 H new ATOM 0 HB THR A 40 5.925 13.079 4.855 1.00 44.33 H new ATOM 0 HG1 THR A 40 6.507 10.945 4.079 1.00 34.34 H new ATOM 0 HG21 THR A 40 6.405 12.704 2.464 1.00 3.31 H new ATOM 0 HG22 THR A 40 6.930 14.320 2.994 1.00 3.31 H new ATOM 0 HG23 THR A 40 8.129 13.025 2.764 1.00 3.31 H new ATOM 575 N ASP A 41 9.907 13.756 4.064 1.00 51.33 N ATOM 576 CA ASP A 41 11.262 13.436 3.631 1.00 4.54 C ATOM 577 C ASP A 41 12.279 14.348 4.311 1.00 0.25 C ATOM 578 O ASP A 41 13.468 14.312 3.995 1.00 53.10 O ATOM 579 CB ASP A 41 11.380 13.565 2.112 1.00 53.11 C ATOM 580 CG ASP A 41 11.967 12.324 1.469 1.00 20.14 C ATOM 581 OD1 ASP A 41 11.671 11.211 1.951 1.00 23.41 O ATOM 582 OD2 ASP A 41 12.723 12.466 0.485 1.00 21.14 O ATOM 0 H ASP A 41 9.443 14.471 3.503 1.00 51.33 H new ATOM 0 HA ASP A 41 11.474 12.406 3.918 1.00 4.54 H new ATOM 0 HB2 ASP A 41 10.394 13.758 1.689 1.00 53.11 H new ATOM 0 HB3 ASP A 41 12.004 14.425 1.871 1.00 53.11 H new ATOM 587 N GLN A 42 11.802 15.164 5.246 1.00 43.52 N ATOM 588 CA GLN A 42 12.670 16.087 5.969 1.00 61.33 C ATOM 589 C GLN A 42 13.305 17.095 5.017 1.00 4.44 C ATOM 590 O GLN A 42 14.402 16.875 4.504 1.00 63.40 O ATOM 591 CB GLN A 42 13.760 15.316 6.715 1.00 32.44 C ATOM 592 CG GLN A 42 13.459 15.113 8.192 1.00 50.13 C ATOM 593 CD GLN A 42 12.020 14.710 8.444 1.00 74.30 C ATOM 594 OE1 GLN A 42 11.647 13.550 8.265 1.00 63.33 O ATOM 595 NE2 GLN A 42 11.201 15.668 8.863 1.00 72.52 N ATOM 0 H GLN A 42 10.820 15.205 5.520 1.00 43.52 H new ATOM 0 HA GLN A 42 12.060 16.630 6.691 1.00 61.33 H new ATOM 0 HB2 GLN A 42 13.893 14.343 6.243 1.00 32.44 H new ATOM 0 HB3 GLN A 42 14.705 15.851 6.615 1.00 32.44 H new ATOM 0 HG2 GLN A 42 14.122 14.346 8.592 1.00 50.13 H new ATOM 0 HG3 GLN A 42 13.674 16.035 8.733 1.00 50.13 H new ATOM 0 HE21 GLN A 42 11.552 16.616 8.998 1.00 72.52 H new ATOM 0 HE22 GLN A 42 10.221 15.456 9.050 1.00 72.52 H new ATOM 604 N VAL A 43 12.609 18.204 4.786 1.00 34.51 N ATOM 605 CA VAL A 43 13.105 19.247 3.897 1.00 72.02 C ATOM 606 C VAL A 43 14.484 19.729 4.331 1.00 3.13 C ATOM 607 O VAL A 43 14.621 20.443 5.326 1.00 72.15 O ATOM 608 CB VAL A 43 12.144 20.450 3.851 1.00 34.44 C ATOM 609 CG1 VAL A 43 12.652 21.503 2.879 1.00 53.11 C ATOM 610 CG2 VAL A 43 10.741 19.996 3.475 1.00 42.45 C ATOM 0 H VAL A 43 11.699 18.403 5.203 1.00 34.51 H new ATOM 0 HA VAL A 43 13.173 18.808 2.902 1.00 72.02 H new ATOM 0 HB VAL A 43 12.102 20.898 4.844 1.00 34.44 H new ATOM 0 HG11 VAL A 43 11.960 22.345 2.860 1.00 53.11 H new ATOM 0 HG12 VAL A 43 13.635 21.849 3.198 1.00 53.11 H new ATOM 0 HG13 VAL A 43 12.725 21.071 1.881 1.00 53.11 H new ATOM 0 HG21 VAL A 43 10.075 20.858 3.447 1.00 42.45 H new ATOM 0 HG22 VAL A 43 10.763 19.522 2.494 1.00 42.45 H new ATOM 0 HG23 VAL A 43 10.379 19.282 4.215 1.00 42.45 H new ATOM 620 N THR A 44 15.507 19.335 3.579 1.00 61.30 N ATOM 621 CA THR A 44 16.877 19.726 3.886 1.00 61.40 C ATOM 622 C THR A 44 17.227 21.059 3.236 1.00 43.13 C ATOM 623 O THR A 44 17.328 21.156 2.013 1.00 40.33 O ATOM 624 CB THR A 44 17.884 18.659 3.417 1.00 23.41 C ATOM 625 OG1 THR A 44 17.269 17.365 3.430 1.00 44.53 O ATOM 626 CG2 THR A 44 19.116 18.649 4.309 1.00 25.51 C ATOM 0 H THR A 44 15.412 18.745 2.752 1.00 61.30 H new ATOM 0 HA THR A 44 16.942 19.825 4.970 1.00 61.40 H new ATOM 0 HB THR A 44 18.192 18.904 2.401 1.00 23.41 H new ATOM 0 HG1 THR A 44 17.915 16.693 3.129 1.00 44.53 H new ATOM 0 HG21 THR A 44 19.813 17.888 3.958 1.00 25.51 H new ATOM 0 HG22 THR A 44 19.598 19.626 4.274 1.00 25.51 H new ATOM 0 HG23 THR A 44 18.821 18.426 5.334 1.00 25.51 H new ATOM 634 N TRP A 45 17.412 22.083 4.060 1.00 2.44 N ATOM 635 CA TRP A 45 17.752 23.412 3.564 1.00 2.23 C ATOM 636 C TRP A 45 19.256 23.652 3.637 1.00 1.12 C ATOM 637 O TRP A 45 19.929 23.160 4.543 1.00 2.20 O ATOM 638 CB TRP A 45 17.013 24.484 4.367 1.00 32.54 C ATOM 639 CG TRP A 45 15.537 24.242 4.462 1.00 54.24 C ATOM 640 CD1 TRP A 45 14.905 23.320 5.247 1.00 43.05 C ATOM 641 CD2 TRP A 45 14.508 24.933 3.744 1.00 71.52 C ATOM 642 NE1 TRP A 45 13.546 23.395 5.060 1.00 40.51 N ATOM 643 CE2 TRP A 45 13.277 24.377 4.144 1.00 55.43 C ATOM 644 CE3 TRP A 45 14.507 25.967 2.804 1.00 32.30 C ATOM 645 CZ2 TRP A 45 12.059 24.822 3.634 1.00 5.24 C ATOM 646 CZ3 TRP A 45 13.298 26.407 2.299 1.00 21.23 C ATOM 647 CH2 TRP A 45 12.088 25.836 2.716 1.00 60.14 C ATOM 0 H TRP A 45 17.332 22.019 5.075 1.00 2.44 H new ATOM 0 HA TRP A 45 17.443 23.472 2.520 1.00 2.23 H new ATOM 0 HB2 TRP A 45 17.432 24.528 5.372 1.00 32.54 H new ATOM 0 HB3 TRP A 45 17.186 25.457 3.906 1.00 32.54 H new ATOM 0 HD1 TRP A 45 15.401 22.633 5.917 1.00 43.05 H new ATOM 0 HE1 TRP A 45 12.850 22.814 5.527 1.00 40.51 H new ATOM 0 HE3 TRP A 45 15.434 26.414 2.478 1.00 32.30 H new ATOM 0 HZ2 TRP A 45 11.125 24.382 3.952 1.00 5.24 H new ATOM 0 HZ3 TRP A 45 13.286 27.204 1.571 1.00 21.23 H new ATOM 0 HH2 TRP A 45 11.160 26.204 2.304 1.00 60.14 H new ATOM 658 N ASP A 46 19.777 24.410 2.679 1.00 51.51 N ATOM 659 CA ASP A 46 21.202 24.717 2.636 1.00 61.42 C ATOM 660 C ASP A 46 21.432 26.185 2.293 1.00 43.11 C ATOM 661 O ASP A 46 20.690 26.773 1.507 1.00 54.20 O ATOM 662 CB ASP A 46 21.906 23.825 1.612 1.00 23.52 C ATOM 663 CG ASP A 46 22.593 22.636 2.256 1.00 62.05 C ATOM 664 OD1 ASP A 46 23.469 22.853 3.118 1.00 2.03 O ATOM 665 OD2 ASP A 46 22.255 21.489 1.896 1.00 63.44 O ATOM 0 H ASP A 46 19.234 24.824 1.921 1.00 51.51 H new ATOM 0 HA ASP A 46 21.620 24.524 3.624 1.00 61.42 H new ATOM 0 HB2 ASP A 46 21.178 23.469 0.883 1.00 23.52 H new ATOM 0 HB3 ASP A 46 22.642 24.415 1.066 1.00 23.52 H new ATOM 670 N SER A 47 22.466 26.772 2.889 1.00 74.32 N ATOM 671 CA SER A 47 22.791 28.173 2.650 1.00 11.04 C ATOM 672 C SER A 47 24.168 28.309 2.008 1.00 40.31 C ATOM 673 O SER A 47 25.128 27.664 2.429 1.00 61.14 O ATOM 674 CB SER A 47 22.748 28.959 3.962 1.00 34.13 C ATOM 675 OG SER A 47 22.716 30.355 3.720 1.00 62.32 O ATOM 0 H SER A 47 23.092 26.299 3.540 1.00 74.32 H new ATOM 0 HA SER A 47 22.048 28.581 1.965 1.00 11.04 H new ATOM 0 HB2 SER A 47 21.869 28.666 4.536 1.00 34.13 H new ATOM 0 HB3 SER A 47 23.621 28.712 4.566 1.00 34.13 H new ATOM 0 HG SER A 47 21.883 30.730 4.076 1.00 62.32 H new ATOM 681 N SER A 48 24.256 29.154 0.986 1.00 41.43 N ATOM 682 CA SER A 48 25.514 29.374 0.281 1.00 20.34 C ATOM 683 C SER A 48 26.598 29.854 1.242 1.00 72.21 C ATOM 684 O SER A 48 27.789 29.693 0.981 1.00 42.32 O ATOM 685 CB SER A 48 25.323 30.395 -0.841 1.00 71.05 C ATOM 686 OG SER A 48 26.237 30.166 -1.900 1.00 2.42 O ATOM 0 H SER A 48 23.471 29.698 0.627 1.00 41.43 H new ATOM 0 HA SER A 48 25.830 28.425 -0.152 1.00 20.34 H new ATOM 0 HB2 SER A 48 24.302 30.338 -1.219 1.00 71.05 H new ATOM 0 HB3 SER A 48 25.462 31.402 -0.448 1.00 71.05 H new ATOM 0 HG SER A 48 26.094 30.831 -2.605 1.00 2.42 H new ATOM 692 N ASN A 49 26.174 30.444 2.355 1.00 41.22 N ATOM 693 CA ASN A 49 27.108 30.949 3.355 1.00 35.12 C ATOM 694 C ASN A 49 27.926 32.110 2.799 1.00 64.34 C ATOM 695 O ASN A 49 28.204 32.171 1.600 1.00 34.22 O ATOM 696 CB ASN A 49 28.040 29.830 3.823 1.00 45.10 C ATOM 697 CG ASN A 49 28.762 30.179 5.110 1.00 12.25 C ATOM 698 OD1 ASN A 49 28.232 29.983 6.204 1.00 2.45 O ATOM 699 ND2 ASN A 49 29.977 30.700 4.985 1.00 21.42 N ATOM 0 H ASN A 49 25.191 30.584 2.587 1.00 41.22 H new ATOM 0 HA ASN A 49 26.530 31.311 4.206 1.00 35.12 H new ATOM 0 HB2 ASN A 49 27.462 28.917 3.970 1.00 45.10 H new ATOM 0 HB3 ASN A 49 28.773 29.622 3.044 1.00 45.10 H new ATOM 0 HD21 ASN A 49 30.510 30.955 5.816 1.00 21.42 H new ATOM 0 HD22 ASN A 49 30.377 30.845 4.058 1.00 21.42 H new ATOM 706 N THR A 50 28.312 33.030 3.677 1.00 31.12 N ATOM 707 CA THR A 50 29.098 34.189 3.275 1.00 43.04 C ATOM 708 C THR A 50 29.943 34.709 4.432 1.00 13.51 C ATOM 709 O THR A 50 31.123 35.016 4.263 1.00 21.12 O ATOM 710 CB THR A 50 28.198 35.327 2.759 1.00 52.23 C ATOM 711 OG1 THR A 50 27.409 34.866 1.656 1.00 13.13 O ATOM 712 CG2 THR A 50 29.032 36.524 2.326 1.00 30.44 C ATOM 0 H THR A 50 28.093 32.995 4.672 1.00 31.12 H new ATOM 0 HA THR A 50 29.754 33.861 2.469 1.00 43.04 H new ATOM 0 HB THR A 50 27.541 35.637 3.572 1.00 52.23 H new ATOM 0 HG1 THR A 50 26.729 35.537 1.437 1.00 13.13 H new ATOM 0 HG21 THR A 50 28.374 37.315 1.965 1.00 30.44 H new ATOM 0 HG22 THR A 50 29.609 36.891 3.174 1.00 30.44 H new ATOM 0 HG23 THR A 50 29.711 36.225 1.527 1.00 30.44 H new ATOM 720 N ASP A 51 29.331 34.806 5.607 1.00 3.44 N ATOM 721 CA ASP A 51 30.028 35.288 6.794 1.00 1.54 C ATOM 722 C ASP A 51 29.755 34.382 7.990 1.00 30.15 C ATOM 723 O ASP A 51 30.680 33.953 8.680 1.00 24.42 O ATOM 724 CB ASP A 51 29.600 36.721 7.116 1.00 3.14 C ATOM 725 CG ASP A 51 30.783 37.657 7.271 1.00 14.44 C ATOM 726 OD1 ASP A 51 31.373 38.044 6.241 1.00 52.02 O ATOM 727 OD2 ASP A 51 31.117 38.004 8.423 1.00 1.13 O ATOM 0 H ASP A 51 28.354 34.557 5.763 1.00 3.44 H new ATOM 0 HA ASP A 51 31.098 35.274 6.587 1.00 1.54 H new ATOM 0 HB2 ASP A 51 28.950 37.090 6.323 1.00 3.14 H new ATOM 0 HB3 ASP A 51 29.015 36.724 8.035 1.00 3.14 H new ATOM 732 N ILE A 52 28.480 34.096 8.231 1.00 71.24 N ATOM 733 CA ILE A 52 28.086 33.241 9.343 1.00 32.42 C ATOM 734 C ILE A 52 26.574 33.047 9.379 1.00 74.01 C ATOM 735 O ILE A 52 25.821 33.992 9.621 1.00 22.31 O ATOM 736 CB ILE A 52 28.550 33.822 10.692 1.00 74.11 C ATOM 737 CG1 ILE A 52 28.023 32.969 11.848 1.00 71.12 C ATOM 738 CG2 ILE A 52 28.085 35.263 10.835 1.00 14.33 C ATOM 739 CD1 ILE A 52 28.864 33.065 13.101 1.00 30.44 C ATOM 0 H ILE A 52 27.702 34.444 7.671 1.00 71.24 H new ATOM 0 HA ILE A 52 28.570 32.277 9.186 1.00 32.42 H new ATOM 0 HB ILE A 52 29.639 33.807 10.722 1.00 74.11 H new ATOM 0 HG12 ILE A 52 27.003 33.276 12.080 1.00 71.12 H new ATOM 0 HG13 ILE A 52 27.978 31.928 11.529 1.00 71.12 H new ATOM 0 HG21 ILE A 52 28.420 35.660 11.793 1.00 14.33 H new ATOM 0 HG22 ILE A 52 28.504 35.862 10.027 1.00 14.33 H new ATOM 0 HG23 ILE A 52 26.997 35.301 10.788 1.00 14.33 H new ATOM 0 HD11 ILE A 52 28.432 32.435 13.878 1.00 30.44 H new ATOM 0 HD12 ILE A 52 29.878 32.730 12.885 1.00 30.44 H new ATOM 0 HD13 ILE A 52 28.889 34.099 13.444 1.00 30.44 H new ATOM 751 N LEU A 53 26.135 31.817 9.138 1.00 35.41 N ATOM 752 CA LEU A 53 24.711 31.497 9.144 1.00 1.34 C ATOM 753 C LEU A 53 24.485 30.024 9.469 1.00 50.11 C ATOM 754 O LEU A 53 25.310 29.172 9.140 1.00 3.03 O ATOM 755 CB LEU A 53 24.087 31.834 7.789 1.00 14.54 C ATOM 756 CG LEU A 53 24.926 31.490 6.559 1.00 63.21 C ATOM 757 CD1 LEU A 53 25.007 29.983 6.373 1.00 71.42 C ATOM 758 CD2 LEU A 53 24.349 32.152 5.317 1.00 40.44 C ATOM 0 H LEU A 53 26.744 31.024 8.936 1.00 35.41 H new ATOM 0 HA LEU A 53 24.232 32.098 9.917 1.00 1.34 H new ATOM 0 HB2 LEU A 53 23.133 31.312 7.711 1.00 14.54 H new ATOM 0 HB3 LEU A 53 23.869 32.902 7.768 1.00 14.54 H new ATOM 0 HG LEU A 53 25.935 31.871 6.713 1.00 63.21 H new ATOM 0 HD11 LEU A 53 25.608 29.757 5.492 1.00 71.42 H new ATOM 0 HD12 LEU A 53 25.467 29.532 7.252 1.00 71.42 H new ATOM 0 HD13 LEU A 53 24.004 29.578 6.241 1.00 71.42 H new ATOM 0 HD21 LEU A 53 24.960 31.896 4.451 1.00 40.44 H new ATOM 0 HD22 LEU A 53 23.329 31.802 5.158 1.00 40.44 H new ATOM 0 HD23 LEU A 53 24.344 33.234 5.450 1.00 40.44 H new ATOM 770 N SER A 54 23.360 29.731 10.114 1.00 3.40 N ATOM 771 CA SER A 54 23.026 28.361 10.484 1.00 11.24 C ATOM 772 C SER A 54 21.554 28.068 10.211 1.00 52.34 C ATOM 773 O SER A 54 20.689 28.915 10.438 1.00 72.25 O ATOM 774 CB SER A 54 23.340 28.119 11.962 1.00 34.20 C ATOM 775 OG SER A 54 22.847 26.860 12.388 1.00 10.32 O ATOM 0 H SER A 54 22.665 30.424 10.391 1.00 3.40 H new ATOM 0 HA SER A 54 23.631 27.689 9.876 1.00 11.24 H new ATOM 0 HB2 SER A 54 24.418 28.164 12.120 1.00 34.20 H new ATOM 0 HB3 SER A 54 22.896 28.910 12.566 1.00 34.20 H new ATOM 0 HG SER A 54 23.062 26.728 13.335 1.00 10.32 H new ATOM 781 N ILE A 55 21.278 26.864 9.722 1.00 52.14 N ATOM 782 CA ILE A 55 19.911 26.458 9.418 1.00 42.54 C ATOM 783 C ILE A 55 19.474 25.294 10.300 1.00 0.44 C ATOM 784 O ILE A 55 20.180 24.293 10.420 1.00 41.31 O ATOM 785 CB ILE A 55 19.760 26.052 7.940 1.00 50.32 C ATOM 786 CG1 ILE A 55 18.295 25.749 7.619 1.00 60.30 C ATOM 787 CG2 ILE A 55 20.636 24.848 7.629 1.00 4.21 C ATOM 788 CD1 ILE A 55 17.665 26.745 6.671 1.00 62.22 C ATOM 0 H ILE A 55 21.983 26.152 9.528 1.00 52.14 H new ATOM 0 HA ILE A 55 19.274 27.320 9.617 1.00 42.54 H new ATOM 0 HB ILE A 55 20.085 26.884 7.315 1.00 50.32 H new ATOM 0 HG12 ILE A 55 18.226 24.752 7.184 1.00 60.30 H new ATOM 0 HG13 ILE A 55 17.724 25.732 8.547 1.00 60.30 H new ATOM 0 HG21 ILE A 55 20.518 24.573 6.581 1.00 4.21 H new ATOM 0 HG22 ILE A 55 21.679 25.097 7.824 1.00 4.21 H new ATOM 0 HG23 ILE A 55 20.339 24.010 8.259 1.00 4.21 H new ATOM 0 HD11 ILE A 55 16.627 26.467 6.489 1.00 62.22 H new ATOM 0 HD12 ILE A 55 17.702 27.741 7.112 1.00 62.22 H new ATOM 0 HD13 ILE A 55 18.211 26.745 5.728 1.00 62.22 H new ATOM 800 N SER A 56 18.304 25.432 10.916 1.00 40.51 N ATOM 801 CA SER A 56 17.773 24.393 11.790 1.00 53.12 C ATOM 802 C SER A 56 16.384 23.957 11.333 1.00 60.42 C ATOM 803 O SER A 56 15.462 24.767 11.252 1.00 42.24 O ATOM 804 CB SER A 56 17.713 24.893 13.234 1.00 12.24 C ATOM 805 OG SER A 56 18.073 23.868 14.144 1.00 11.22 O ATOM 0 H SER A 56 17.706 26.253 10.826 1.00 40.51 H new ATOM 0 HA SER A 56 18.441 23.533 11.738 1.00 53.12 H new ATOM 0 HB2 SER A 56 18.384 25.744 13.356 1.00 12.24 H new ATOM 0 HB3 SER A 56 16.706 25.246 13.458 1.00 12.24 H new ATOM 0 HG SER A 56 18.028 24.213 15.060 1.00 11.22 H new ATOM 811 N ASN A 57 16.243 22.669 11.035 1.00 25.13 N ATOM 812 CA ASN A 57 14.968 22.123 10.586 1.00 50.14 C ATOM 813 C ASN A 57 14.656 20.811 11.299 1.00 12.21 C ATOM 814 O ASN A 57 14.469 19.775 10.662 1.00 50.45 O ATOM 815 CB ASN A 57 14.990 21.901 9.072 1.00 71.20 C ATOM 816 CG ASN A 57 15.804 22.954 8.345 1.00 72.33 C ATOM 817 OD1 ASN A 57 16.907 22.683 7.870 1.00 71.01 O ATOM 818 ND2 ASN A 57 15.262 24.163 8.255 1.00 74.53 N ATOM 0 H ASN A 57 16.997 21.984 11.097 1.00 25.13 H new ATOM 0 HA ASN A 57 14.187 22.843 10.830 1.00 50.14 H new ATOM 0 HB2 ASN A 57 15.403 20.915 8.858 1.00 71.20 H new ATOM 0 HB3 ASN A 57 13.969 21.909 8.692 1.00 71.20 H new ATOM 0 HD21 ASN A 57 15.763 24.912 7.777 1.00 74.53 H new ATOM 0 HD22 ASN A 57 14.345 24.342 8.664 1.00 74.53 H new ATOM 825 N ALA A 58 14.600 20.864 12.626 1.00 44.21 N ATOM 826 CA ALA A 58 14.308 19.681 13.426 1.00 2.41 C ATOM 827 C ALA A 58 14.159 20.039 14.901 1.00 44.41 C ATOM 828 O ALA A 58 14.471 19.235 15.779 1.00 11.22 O ATOM 829 CB ALA A 58 15.399 18.637 13.242 1.00 3.00 C ATOM 0 H ALA A 58 14.753 21.714 13.169 1.00 44.21 H new ATOM 0 HA ALA A 58 13.361 19.265 13.082 1.00 2.41 H new ATOM 0 HB1 ALA A 58 15.168 17.759 13.845 1.00 3.00 H new ATOM 0 HB2 ALA A 58 15.456 18.351 12.192 1.00 3.00 H new ATOM 0 HB3 ALA A 58 16.356 19.052 13.557 1.00 3.00 H new ATOM 835 N SER A 59 13.682 21.251 15.166 1.00 51.34 N ATOM 836 CA SER A 59 13.496 21.717 16.535 1.00 42.42 C ATOM 837 C SER A 59 12.209 21.154 17.130 1.00 3.44 C ATOM 838 O SER A 59 12.018 21.166 18.347 1.00 41.14 O ATOM 839 CB SER A 59 13.464 23.246 16.576 1.00 41.44 C ATOM 840 OG SER A 59 14.516 23.757 17.376 1.00 41.43 O ATOM 0 H SER A 59 13.417 21.928 14.451 1.00 51.34 H new ATOM 0 HA SER A 59 14.337 21.362 17.131 1.00 42.42 H new ATOM 0 HB2 SER A 59 13.547 23.642 15.564 1.00 41.44 H new ATOM 0 HB3 SER A 59 12.506 23.582 16.972 1.00 41.44 H new ATOM 0 HG SER A 59 14.475 24.736 17.385 1.00 41.43 H new ATOM 846 N ASP A 60 11.330 20.662 16.265 1.00 43.13 N ATOM 847 CA ASP A 60 10.061 20.093 16.704 1.00 43.15 C ATOM 848 C ASP A 60 9.239 19.614 15.511 1.00 0.40 C ATOM 849 O ASP A 60 8.507 18.629 15.604 1.00 25.14 O ATOM 850 CB ASP A 60 9.266 21.124 17.506 1.00 1.02 C ATOM 851 CG ASP A 60 8.931 20.638 18.903 1.00 64.45 C ATOM 852 OD1 ASP A 60 9.841 20.122 19.585 1.00 61.34 O ATOM 853 OD2 ASP A 60 7.759 20.772 19.313 1.00 63.11 O ATOM 0 H ASP A 60 11.473 20.645 15.255 1.00 43.13 H new ATOM 0 HA ASP A 60 10.276 19.236 17.342 1.00 43.15 H new ATOM 0 HB2 ASP A 60 9.840 22.048 17.574 1.00 1.02 H new ATOM 0 HB3 ASP A 60 8.343 21.360 16.976 1.00 1.02 H new ATOM 858 N SER A 61 9.364 20.320 14.391 1.00 31.43 N ATOM 859 CA SER A 61 8.629 19.970 13.182 1.00 74.24 C ATOM 860 C SER A 61 8.939 20.950 12.054 1.00 25.33 C ATOM 861 O SER A 61 9.667 20.624 11.115 1.00 35.44 O ATOM 862 CB SER A 61 7.124 19.955 13.460 1.00 43.51 C ATOM 863 OG SER A 61 6.728 21.111 14.179 1.00 74.44 O ATOM 0 H SER A 61 9.967 21.137 14.297 1.00 31.43 H new ATOM 0 HA SER A 61 8.944 18.974 12.871 1.00 74.24 H new ATOM 0 HB2 SER A 61 6.577 19.903 12.518 1.00 43.51 H new ATOM 0 HB3 SER A 61 6.865 19.062 14.029 1.00 43.51 H new ATOM 0 HG SER A 61 5.762 21.079 14.343 1.00 74.44 H new ATOM 869 N HIS A 62 8.383 22.153 12.154 1.00 21.24 N ATOM 870 CA HIS A 62 8.601 23.182 11.144 1.00 54.10 C ATOM 871 C HIS A 62 10.082 23.528 11.031 1.00 2.11 C ATOM 872 O HIS A 62 10.827 23.439 12.006 1.00 13.55 O ATOM 873 CB HIS A 62 7.796 24.437 11.483 1.00 2.40 C ATOM 874 CG HIS A 62 8.219 25.092 12.762 1.00 14.11 C ATOM 875 ND1 HIS A 62 7.929 26.405 13.067 1.00 50.42 N ATOM 876 CD2 HIS A 62 8.911 24.606 13.819 1.00 44.44 C ATOM 877 CE1 HIS A 62 8.427 26.700 14.254 1.00 31.35 C ATOM 878 NE2 HIS A 62 9.028 25.625 14.732 1.00 33.23 N ATOM 0 H HIS A 62 7.778 22.439 12.924 1.00 21.24 H new ATOM 0 HA HIS A 62 8.264 22.791 10.184 1.00 54.10 H new ATOM 0 HB2 HIS A 62 7.895 25.153 10.667 1.00 2.40 H new ATOM 0 HB3 HIS A 62 6.740 24.174 11.551 1.00 2.40 H new ATOM 0 HD2 HIS A 62 9.299 23.604 13.925 1.00 44.44 H new ATOM 0 HE1 HIS A 62 8.355 27.657 14.750 1.00 31.35 H new ATOM 0 HE2 HIS A 62 9.502 25.562 15.633 1.00 33.23 H new ATOM 886 N GLY A 63 10.504 23.922 9.833 1.00 74.00 N ATOM 887 CA GLY A 63 11.894 24.274 9.615 1.00 44.23 C ATOM 888 C GLY A 63 12.139 25.766 9.727 1.00 62.14 C ATOM 889 O GLY A 63 11.284 26.572 9.358 1.00 44.41 O ATOM 0 H GLY A 63 9.907 24.003 9.010 1.00 74.00 H new ATOM 0 HA2 GLY A 63 12.516 23.751 10.341 1.00 44.23 H new ATOM 0 HA3 GLY A 63 12.202 23.932 8.627 1.00 44.23 H new ATOM 893 N LEU A 64 13.308 26.135 10.238 1.00 3.12 N ATOM 894 CA LEU A 64 13.663 27.541 10.400 1.00 61.23 C ATOM 895 C LEU A 64 15.008 27.841 9.747 1.00 44.42 C ATOM 896 O LEU A 64 15.699 26.936 9.280 1.00 51.12 O ATOM 897 CB LEU A 64 13.710 27.908 11.884 1.00 42.01 C ATOM 898 CG LEU A 64 12.368 28.241 12.536 1.00 51.21 C ATOM 899 CD1 LEU A 64 11.417 27.059 12.435 1.00 61.45 C ATOM 900 CD2 LEU A 64 12.567 28.645 13.990 1.00 74.04 C ATOM 0 H LEU A 64 14.026 25.480 10.547 1.00 3.12 H new ATOM 0 HA LEU A 64 12.899 28.143 9.908 1.00 61.23 H new ATOM 0 HB2 LEU A 64 14.160 27.078 12.429 1.00 42.01 H new ATOM 0 HB3 LEU A 64 14.373 28.765 12.005 1.00 42.01 H new ATOM 0 HG LEU A 64 11.926 29.083 12.003 1.00 51.21 H new ATOM 0 HD11 LEU A 64 10.467 27.315 12.905 1.00 61.45 H new ATOM 0 HD12 LEU A 64 11.249 26.816 11.386 1.00 61.45 H new ATOM 0 HD13 LEU A 64 11.852 26.198 12.942 1.00 61.45 H new ATOM 0 HD21 LEU A 64 11.601 28.879 14.438 1.00 74.04 H new ATOM 0 HD22 LEU A 64 13.031 27.823 14.536 1.00 74.04 H new ATOM 0 HD23 LEU A 64 13.211 29.523 14.039 1.00 74.04 H new ATOM 912 N ALA A 65 15.375 29.118 9.720 1.00 42.51 N ATOM 913 CA ALA A 65 16.640 29.538 9.129 1.00 74.15 C ATOM 914 C ALA A 65 17.151 30.820 9.777 1.00 33.12 C ATOM 915 O ALA A 65 16.413 31.796 9.912 1.00 75.25 O ATOM 916 CB ALA A 65 16.482 29.730 7.627 1.00 2.14 C ATOM 0 H ALA A 65 14.814 29.880 10.101 1.00 42.51 H new ATOM 0 HA ALA A 65 17.375 28.754 9.309 1.00 74.15 H new ATOM 0 HB1 ALA A 65 17.434 30.044 7.198 1.00 2.14 H new ATOM 0 HB2 ALA A 65 16.170 28.790 7.171 1.00 2.14 H new ATOM 0 HB3 ALA A 65 15.728 30.494 7.435 1.00 2.14 H new ATOM 922 N SER A 66 18.418 30.810 10.178 1.00 12.24 N ATOM 923 CA SER A 66 19.026 31.971 10.818 1.00 41.25 C ATOM 924 C SER A 66 20.249 32.442 10.037 1.00 44.31 C ATOM 925 O SER A 66 21.207 31.691 9.846 1.00 54.31 O ATOM 926 CB SER A 66 19.423 31.638 12.257 1.00 71.10 C ATOM 927 OG SER A 66 20.586 30.829 12.291 1.00 32.31 O ATOM 0 H SER A 66 19.043 30.011 10.071 1.00 12.24 H new ATOM 0 HA SER A 66 18.291 32.776 10.829 1.00 41.25 H new ATOM 0 HB2 SER A 66 19.601 32.560 12.811 1.00 71.10 H new ATOM 0 HB3 SER A 66 18.602 31.121 12.754 1.00 71.10 H new ATOM 0 HG SER A 66 20.728 30.423 11.411 1.00 32.31 H new ATOM 933 N THR A 67 20.211 33.693 9.587 1.00 71.32 N ATOM 934 CA THR A 67 21.314 34.265 8.826 1.00 41.32 C ATOM 935 C THR A 67 21.888 35.491 9.528 1.00 65.35 C ATOM 936 O THR A 67 21.147 36.332 10.037 1.00 34.31 O ATOM 937 CB THR A 67 20.870 34.662 7.405 1.00 3.32 C ATOM 938 OG1 THR A 67 20.081 35.856 7.454 1.00 32.12 O ATOM 939 CG2 THR A 67 20.069 33.544 6.756 1.00 14.15 C ATOM 0 H THR A 67 19.428 34.329 9.737 1.00 71.32 H new ATOM 0 HA THR A 67 22.083 33.496 8.757 1.00 41.32 H new ATOM 0 HB THR A 67 21.763 34.842 6.806 1.00 3.32 H new ATOM 0 HG1 THR A 67 19.435 35.851 6.717 1.00 32.12 H new ATOM 0 HG21 THR A 67 19.767 33.848 5.754 1.00 14.15 H new ATOM 0 HG22 THR A 67 20.683 32.646 6.693 1.00 14.15 H new ATOM 0 HG23 THR A 67 19.182 33.336 7.355 1.00 14.15 H new ATOM 947 N LEU A 68 23.213 35.587 9.550 1.00 22.23 N ATOM 948 CA LEU A 68 23.888 36.711 10.190 1.00 52.35 C ATOM 949 C LEU A 68 25.170 37.072 9.445 1.00 34.34 C ATOM 950 O LEU A 68 26.205 37.323 10.059 1.00 4.54 O ATOM 951 CB LEU A 68 24.208 36.378 11.648 1.00 72.53 C ATOM 952 CG LEU A 68 23.168 35.534 12.387 1.00 65.23 C ATOM 953 CD1 LEU A 68 23.433 34.052 12.171 1.00 72.21 C ATOM 954 CD2 LEU A 68 23.169 35.867 13.872 1.00 63.05 C ATOM 0 H LEU A 68 23.841 34.900 9.132 1.00 22.23 H new ATOM 0 HA LEU A 68 23.218 37.570 10.160 1.00 52.35 H new ATOM 0 HB2 LEU A 68 25.162 35.852 11.679 1.00 72.53 H new ATOM 0 HB3 LEU A 68 24.342 37.313 12.193 1.00 72.53 H new ATOM 0 HG LEU A 68 22.183 35.769 11.983 1.00 65.23 H new ATOM 0 HD11 LEU A 68 22.684 33.467 12.704 1.00 72.21 H new ATOM 0 HD12 LEU A 68 23.381 33.825 11.106 1.00 72.21 H new ATOM 0 HD13 LEU A 68 24.425 33.801 12.548 1.00 72.21 H new ATOM 0 HD21 LEU A 68 22.423 35.257 14.382 1.00 63.05 H new ATOM 0 HD22 LEU A 68 24.154 35.661 14.290 1.00 63.05 H new ATOM 0 HD23 LEU A 68 22.930 36.922 14.009 1.00 63.05 H new ATOM 966 N ASN A 69 25.091 37.096 8.119 1.00 53.21 N ATOM 967 CA ASN A 69 26.244 37.428 7.291 1.00 64.34 C ATOM 968 C ASN A 69 26.146 38.858 6.769 1.00 44.03 C ATOM 969 O ASN A 69 25.149 39.543 6.992 1.00 33.10 O ATOM 970 CB ASN A 69 26.354 36.451 6.118 1.00 52.43 C ATOM 971 CG ASN A 69 25.074 36.375 5.307 1.00 1.25 C ATOM 972 OD1 ASN A 69 24.940 37.033 4.275 1.00 33.43 O ATOM 973 ND2 ASN A 69 24.126 35.570 5.773 1.00 1.44 N ATOM 0 H ASN A 69 24.241 36.890 7.595 1.00 53.21 H new ATOM 0 HA ASN A 69 27.139 37.347 7.908 1.00 64.34 H new ATOM 0 HB2 ASN A 69 27.174 36.757 5.469 1.00 52.43 H new ATOM 0 HB3 ASN A 69 26.601 35.459 6.497 1.00 52.43 H new ATOM 0 HD21 ASN A 69 23.243 35.478 5.271 1.00 1.44 H new ATOM 0 HD22 ASN A 69 24.281 35.044 6.633 1.00 1.44 H new ATOM 980 N GLN A 70 27.188 39.301 6.073 1.00 65.13 N ATOM 981 CA GLN A 70 27.219 40.650 5.519 1.00 24.53 C ATOM 982 C GLN A 70 27.258 40.612 3.995 1.00 31.31 C ATOM 983 O GLN A 70 28.145 41.194 3.372 1.00 71.50 O ATOM 984 CB GLN A 70 28.431 41.415 6.053 1.00 24.01 C ATOM 985 CG GLN A 70 29.733 40.635 5.959 1.00 0.30 C ATOM 986 CD GLN A 70 30.951 41.536 5.919 1.00 5.43 C ATOM 987 OE1 GLN A 70 31.281 42.198 6.904 1.00 22.33 O ATOM 988 NE2 GLN A 70 31.628 41.567 4.777 1.00 3.23 N ATOM 0 H GLN A 70 28.022 38.746 5.879 1.00 65.13 H new ATOM 0 HA GLN A 70 26.309 41.164 5.828 1.00 24.53 H new ATOM 0 HB2 GLN A 70 28.535 42.347 5.498 1.00 24.01 H new ATOM 0 HB3 GLN A 70 28.252 41.682 7.094 1.00 24.01 H new ATOM 0 HG2 GLN A 70 29.811 39.962 6.813 1.00 0.30 H new ATOM 0 HG3 GLN A 70 29.716 40.013 5.064 1.00 0.30 H new ATOM 0 HE21 GLN A 70 31.319 41.002 3.986 1.00 3.23 H new ATOM 0 HE22 GLN A 70 32.457 42.155 4.691 1.00 3.23 H new ATOM 997 N GLY A 71 26.289 39.922 3.400 1.00 1.12 N ATOM 998 CA GLY A 71 26.231 39.821 1.954 1.00 63.23 C ATOM 999 C GLY A 71 24.978 39.117 1.471 1.00 1.44 C ATOM 1000 O GLY A 71 23.944 39.151 2.138 1.00 65.44 O ATOM 0 H GLY A 71 25.544 39.431 3.894 1.00 1.12 H new ATOM 0 HA2 GLY A 71 26.272 40.821 1.521 1.00 63.23 H new ATOM 0 HA3 GLY A 71 27.108 39.282 1.595 1.00 63.23 H new ATOM 1004 N ASN A 72 25.069 38.480 0.309 1.00 45.14 N ATOM 1005 CA ASN A 72 23.933 37.767 -0.264 1.00 10.53 C ATOM 1006 C ASN A 72 24.177 36.261 -0.259 1.00 40.52 C ATOM 1007 O ASN A 72 25.231 35.791 -0.688 1.00 54.05 O ATOM 1008 CB ASN A 72 23.670 38.249 -1.692 1.00 34.50 C ATOM 1009 CG ASN A 72 24.937 38.696 -2.394 1.00 51.32 C ATOM 1010 OD1 ASN A 72 25.812 37.885 -2.698 1.00 35.23 O ATOM 1011 ND2 ASN A 72 25.041 39.994 -2.656 1.00 2.14 N ATOM 0 H ASN A 72 25.918 38.443 -0.255 1.00 45.14 H new ATOM 0 HA ASN A 72 23.057 37.976 0.350 1.00 10.53 H new ATOM 0 HB2 ASN A 72 23.205 37.446 -2.264 1.00 34.50 H new ATOM 0 HB3 ASN A 72 22.960 39.076 -1.668 1.00 34.50 H new ATOM 0 HD21 ASN A 72 25.871 40.354 -3.127 1.00 2.14 H new ATOM 0 HD22 ASN A 72 24.291 40.630 -2.386 1.00 2.14 H new ATOM 1018 N VAL A 73 23.195 35.510 0.229 1.00 62.23 N ATOM 1019 CA VAL A 73 23.302 34.057 0.288 1.00 72.13 C ATOM 1020 C VAL A 73 22.201 33.391 -0.531 1.00 44.41 C ATOM 1021 O VAL A 73 21.241 34.041 -0.946 1.00 22.02 O ATOM 1022 CB VAL A 73 23.226 33.547 1.739 1.00 1.12 C ATOM 1023 CG1 VAL A 73 24.406 34.063 2.549 1.00 51.12 C ATOM 1024 CG2 VAL A 73 21.909 33.958 2.380 1.00 71.13 C ATOM 0 H VAL A 73 22.317 35.883 0.589 1.00 62.23 H new ATOM 0 HA VAL A 73 24.273 33.794 -0.132 1.00 72.13 H new ATOM 0 HB VAL A 73 23.273 32.458 1.726 1.00 1.12 H new ATOM 0 HG11 VAL A 73 24.335 33.692 3.572 1.00 51.12 H new ATOM 0 HG12 VAL A 73 25.336 33.714 2.100 1.00 51.12 H new ATOM 0 HG13 VAL A 73 24.393 35.153 2.556 1.00 51.12 H new ATOM 0 HG21 VAL A 73 21.873 33.589 3.405 1.00 71.13 H new ATOM 0 HG22 VAL A 73 21.829 35.045 2.382 1.00 71.13 H new ATOM 0 HG23 VAL A 73 21.080 33.535 1.812 1.00 71.13 H new ATOM 1034 N LYS A 74 22.347 32.091 -0.761 1.00 31.22 N ATOM 1035 CA LYS A 74 21.365 31.334 -1.529 1.00 0.43 C ATOM 1036 C LYS A 74 20.786 30.194 -0.698 1.00 32.11 C ATOM 1037 O LYS A 74 21.480 29.227 -0.384 1.00 33.31 O ATOM 1038 CB LYS A 74 22.003 30.778 -2.804 1.00 20.04 C ATOM 1039 CG LYS A 74 21.039 29.988 -3.672 1.00 12.14 C ATOM 1040 CD LYS A 74 20.168 30.905 -4.515 1.00 23.14 C ATOM 1041 CE LYS A 74 20.166 30.483 -5.976 1.00 4.21 C ATOM 1042 NZ LYS A 74 20.045 31.652 -6.890 1.00 54.15 N ATOM 0 H LYS A 74 23.137 31.539 -0.426 1.00 31.22 H new ATOM 0 HA LYS A 74 20.554 32.010 -1.801 1.00 0.43 H new ATOM 0 HB2 LYS A 74 22.410 31.604 -3.387 1.00 20.04 H new ATOM 0 HB3 LYS A 74 22.842 30.137 -2.531 1.00 20.04 H new ATOM 0 HG2 LYS A 74 21.600 29.318 -4.323 1.00 12.14 H new ATOM 0 HG3 LYS A 74 20.407 29.364 -3.040 1.00 12.14 H new ATOM 0 HD2 LYS A 74 19.148 30.894 -4.131 1.00 23.14 H new ATOM 0 HD3 LYS A 74 20.529 31.930 -4.432 1.00 23.14 H new ATOM 0 HE2 LYS A 74 21.085 29.941 -6.199 1.00 4.21 H new ATOM 0 HE3 LYS A 74 19.339 29.795 -6.154 1.00 4.21 H new ATOM 0 HZ1 LYS A 74 20.047 31.323 -7.877 1.00 54.15 H new ATOM 0 HZ2 LYS A 74 19.156 32.155 -6.695 1.00 54.15 H new ATOM 0 HZ3 LYS A 74 20.847 32.296 -6.738 1.00 54.15 H new ATOM 1056 N VAL A 75 19.510 30.313 -0.346 1.00 35.02 N ATOM 1057 CA VAL A 75 18.836 29.291 0.446 1.00 23.42 C ATOM 1058 C VAL A 75 18.008 28.367 -0.439 1.00 72.41 C ATOM 1059 O VAL A 75 17.068 28.803 -1.105 1.00 0.24 O ATOM 1060 CB VAL A 75 17.920 29.920 1.512 1.00 30.35 C ATOM 1061 CG1 VAL A 75 17.215 28.838 2.317 1.00 61.25 C ATOM 1062 CG2 VAL A 75 18.718 30.839 2.425 1.00 52.12 C ATOM 0 H VAL A 75 18.922 31.108 -0.597 1.00 35.02 H new ATOM 0 HA VAL A 75 19.614 28.712 0.943 1.00 23.42 H new ATOM 0 HB VAL A 75 17.161 30.517 1.006 1.00 30.35 H new ATOM 0 HG11 VAL A 75 16.572 29.302 3.065 1.00 61.25 H new ATOM 0 HG12 VAL A 75 16.610 28.224 1.650 1.00 61.25 H new ATOM 0 HG13 VAL A 75 17.957 28.212 2.813 1.00 61.25 H new ATOM 0 HG21 VAL A 75 18.055 31.275 3.172 1.00 52.12 H new ATOM 0 HG22 VAL A 75 19.500 30.267 2.924 1.00 52.12 H new ATOM 0 HG23 VAL A 75 19.171 31.635 1.834 1.00 52.12 H new ATOM 1072 N THR A 76 18.362 27.085 -0.443 1.00 13.04 N ATOM 1073 CA THR A 76 17.652 26.098 -1.246 1.00 53.24 C ATOM 1074 C THR A 76 17.465 24.795 -0.478 1.00 71.12 C ATOM 1075 O THR A 76 18.279 24.444 0.375 1.00 1.33 O ATOM 1076 CB THR A 76 18.397 25.803 -2.562 1.00 3.44 C ATOM 1077 OG1 THR A 76 18.929 27.016 -3.106 1.00 3.43 O ATOM 1078 CG2 THR A 76 17.469 25.151 -3.575 1.00 44.12 C ATOM 0 H THR A 76 19.137 26.707 0.102 1.00 13.04 H new ATOM 0 HA THR A 76 16.675 26.523 -1.477 1.00 53.24 H new ATOM 0 HB THR A 76 19.213 25.114 -2.345 1.00 3.44 H new ATOM 0 HG1 THR A 76 19.402 26.820 -3.941 1.00 3.43 H new ATOM 0 HG21 THR A 76 18.017 24.952 -4.496 1.00 44.12 H new ATOM 0 HG22 THR A 76 17.089 24.213 -3.169 1.00 44.12 H new ATOM 0 HG23 THR A 76 16.634 25.819 -3.787 1.00 44.12 H new ATOM 1086 N ALA A 77 16.388 24.080 -0.787 1.00 52.44 N ATOM 1087 CA ALA A 77 16.096 22.814 -0.128 1.00 30.24 C ATOM 1088 C ALA A 77 15.374 21.857 -1.070 1.00 52.34 C ATOM 1089 O ALA A 77 14.919 22.254 -2.143 1.00 71.54 O ATOM 1090 CB ALA A 77 15.266 23.050 1.125 1.00 14.42 C ATOM 0 H ALA A 77 15.703 24.357 -1.490 1.00 52.44 H new ATOM 0 HA ALA A 77 17.043 22.355 0.157 1.00 30.24 H new ATOM 0 HB1 ALA A 77 15.055 22.095 1.607 1.00 14.42 H new ATOM 0 HB2 ALA A 77 15.819 23.690 1.813 1.00 14.42 H new ATOM 0 HB3 ALA A 77 14.328 23.534 0.854 1.00 14.42 H new ATOM 1096 N SER A 78 15.273 20.596 -0.663 1.00 52.01 N ATOM 1097 CA SER A 78 14.610 19.582 -1.474 1.00 73.31 C ATOM 1098 C SER A 78 13.936 18.535 -0.591 1.00 43.34 C ATOM 1099 O SER A 78 14.505 18.090 0.406 1.00 51.10 O ATOM 1100 CB SER A 78 15.616 18.906 -2.408 1.00 4.44 C ATOM 1101 OG SER A 78 15.334 19.205 -3.764 1.00 1.12 O ATOM 0 H SER A 78 15.642 20.252 0.224 1.00 52.01 H new ATOM 0 HA SER A 78 13.844 20.075 -2.073 1.00 73.31 H new ATOM 0 HB2 SER A 78 16.625 19.237 -2.162 1.00 4.44 H new ATOM 0 HB3 SER A 78 15.589 17.827 -2.257 1.00 4.44 H new ATOM 0 HG SER A 78 15.992 18.763 -4.340 1.00 1.12 H new ATOM 1107 N ILE A 79 12.722 18.148 -0.966 1.00 32.41 N ATOM 1108 CA ILE A 79 11.971 17.153 -0.210 1.00 12.22 C ATOM 1109 C ILE A 79 11.227 16.202 -1.140 1.00 72.45 C ATOM 1110 O ILE A 79 10.268 16.590 -1.806 1.00 10.51 O ATOM 1111 CB ILE A 79 10.959 17.817 0.743 1.00 22.32 C ATOM 1112 CG1 ILE A 79 9.986 16.773 1.296 1.00 52.44 C ATOM 1113 CG2 ILE A 79 10.204 18.926 0.026 1.00 64.23 C ATOM 1114 CD1 ILE A 79 9.650 16.974 2.757 1.00 51.32 C ATOM 0 H ILE A 79 12.237 18.508 -1.788 1.00 32.41 H new ATOM 0 HA ILE A 79 12.696 16.590 0.377 1.00 12.22 H new ATOM 0 HB ILE A 79 11.504 18.257 1.578 1.00 22.32 H new ATOM 0 HG12 ILE A 79 9.066 16.801 0.713 1.00 52.44 H new ATOM 0 HG13 ILE A 79 10.417 15.781 1.164 1.00 52.44 H new ATOM 0 HG21 ILE A 79 9.493 19.385 0.713 1.00 64.23 H new ATOM 0 HG22 ILE A 79 10.910 19.680 -0.323 1.00 64.23 H new ATOM 0 HG23 ILE A 79 9.668 18.509 -0.826 1.00 64.23 H new ATOM 0 HD11 ILE A 79 8.956 16.198 3.081 1.00 51.32 H new ATOM 0 HD12 ILE A 79 10.562 16.916 3.351 1.00 51.32 H new ATOM 0 HD13 ILE A 79 9.190 17.953 2.893 1.00 51.32 H new ATOM 1126 N GLY A 80 11.675 14.950 -1.181 1.00 1.45 N ATOM 1127 CA GLY A 80 11.039 13.961 -2.031 1.00 44.53 C ATOM 1128 C GLY A 80 10.820 14.467 -3.443 1.00 75.24 C ATOM 1129 O GLY A 80 11.731 14.439 -4.269 1.00 41.21 O ATOM 0 H GLY A 80 12.467 14.604 -0.640 1.00 1.45 H new ATOM 0 HA2 GLY A 80 11.655 13.062 -2.062 1.00 44.53 H new ATOM 0 HA3 GLY A 80 10.080 13.676 -1.597 1.00 44.53 H new ATOM 1133 N GLY A 81 9.604 14.929 -3.723 1.00 4.14 N ATOM 1134 CA GLY A 81 9.289 15.434 -5.046 1.00 0.41 C ATOM 1135 C GLY A 81 9.341 16.948 -5.116 1.00 62.33 C ATOM 1136 O GLY A 81 9.031 17.632 -4.141 1.00 34.02 O ATOM 0 H GLY A 81 8.832 14.962 -3.057 1.00 4.14 H new ATOM 0 HA2 GLY A 81 9.990 15.016 -5.768 1.00 0.41 H new ATOM 0 HA3 GLY A 81 8.294 15.094 -5.334 1.00 0.41 H new ATOM 1140 N ILE A 82 9.736 17.471 -6.272 1.00 3.42 N ATOM 1141 CA ILE A 82 9.829 18.913 -6.465 1.00 14.24 C ATOM 1142 C ILE A 82 10.844 19.532 -5.509 1.00 75.32 C ATOM 1143 O ILE A 82 11.095 19.001 -4.428 1.00 10.44 O ATOM 1144 CB ILE A 82 8.464 19.597 -6.259 1.00 41.22 C ATOM 1145 CG1 ILE A 82 7.425 19.010 -7.217 1.00 45.02 C ATOM 1146 CG2 ILE A 82 8.589 21.100 -6.461 1.00 61.11 C ATOM 1147 CD1 ILE A 82 7.872 19.003 -8.662 1.00 63.13 C ATOM 0 H ILE A 82 9.997 16.918 -7.089 1.00 3.42 H new ATOM 0 HA ILE A 82 10.156 19.073 -7.492 1.00 14.24 H new ATOM 0 HB ILE A 82 8.133 19.414 -5.237 1.00 41.22 H new ATOM 0 HG12 ILE A 82 7.196 17.989 -6.911 1.00 45.02 H new ATOM 0 HG13 ILE A 82 6.501 19.583 -7.134 1.00 45.02 H new ATOM 0 HG21 ILE A 82 7.617 21.569 -6.312 1.00 61.11 H new ATOM 0 HG22 ILE A 82 9.301 21.506 -5.743 1.00 61.11 H new ATOM 0 HG23 ILE A 82 8.939 21.303 -7.473 1.00 61.11 H new ATOM 0 HD11 ILE A 82 7.086 18.574 -9.284 1.00 63.13 H new ATOM 0 HD12 ILE A 82 8.073 20.024 -8.986 1.00 63.13 H new ATOM 0 HD13 ILE A 82 8.779 18.406 -8.759 1.00 63.13 H new ATOM 1159 N GLN A 83 11.422 20.657 -5.916 1.00 52.13 N ATOM 1160 CA GLN A 83 12.409 21.349 -5.095 1.00 73.44 C ATOM 1161 C GLN A 83 12.023 22.811 -4.896 1.00 71.50 C ATOM 1162 O GLN A 83 11.204 23.353 -5.636 1.00 54.21 O ATOM 1163 CB GLN A 83 13.793 21.257 -5.740 1.00 1.52 C ATOM 1164 CG GLN A 83 13.874 21.922 -7.104 1.00 51.54 C ATOM 1165 CD GLN A 83 15.269 21.876 -7.695 1.00 24.43 C ATOM 1166 OE1 GLN A 83 15.572 21.028 -8.535 1.00 25.22 O ATOM 1167 NE2 GLN A 83 16.128 22.789 -7.257 1.00 65.15 N ATOM 0 H GLN A 83 11.224 21.109 -6.809 1.00 52.13 H new ATOM 0 HA GLN A 83 12.438 20.865 -4.119 1.00 73.44 H new ATOM 0 HB2 GLN A 83 14.525 21.717 -5.077 1.00 1.52 H new ATOM 0 HB3 GLN A 83 14.069 20.207 -5.840 1.00 1.52 H new ATOM 0 HG2 GLN A 83 13.179 21.431 -7.785 1.00 51.54 H new ATOM 0 HG3 GLN A 83 13.555 22.961 -7.017 1.00 51.54 H new ATOM 0 HE21 GLN A 83 15.834 23.473 -6.560 1.00 65.15 H new ATOM 0 HE22 GLN A 83 17.082 22.806 -7.618 1.00 65.15 H new ATOM 1176 N GLY A 84 12.619 23.443 -3.890 1.00 2.21 N ATOM 1177 CA GLY A 84 12.324 24.836 -3.611 1.00 4.50 C ATOM 1178 C GLY A 84 13.576 25.687 -3.519 1.00 70.34 C ATOM 1179 O GLY A 84 14.619 25.221 -3.061 1.00 31.13 O ATOM 0 H GLY A 84 13.301 23.015 -3.263 1.00 2.21 H new ATOM 0 HA2 GLY A 84 11.677 25.231 -4.394 1.00 4.50 H new ATOM 0 HA3 GLY A 84 11.771 24.907 -2.674 1.00 4.50 H new ATOM 1183 N SER A 85 13.474 26.937 -3.959 1.00 15.14 N ATOM 1184 CA SER A 85 14.608 27.853 -3.929 1.00 71.02 C ATOM 1185 C SER A 85 14.193 29.214 -3.377 1.00 64.51 C ATOM 1186 O SER A 85 13.062 29.659 -3.574 1.00 22.02 O ATOM 1187 CB SER A 85 15.195 28.017 -5.333 1.00 33.35 C ATOM 1188 OG SER A 85 14.173 28.028 -6.314 1.00 50.54 O ATOM 0 H SER A 85 12.618 27.339 -4.341 1.00 15.14 H new ATOM 0 HA SER A 85 15.368 27.430 -3.272 1.00 71.02 H new ATOM 0 HB2 SER A 85 15.765 28.945 -5.386 1.00 33.35 H new ATOM 0 HB3 SER A 85 15.891 27.203 -5.537 1.00 33.35 H new ATOM 0 HG SER A 85 14.573 28.136 -7.202 1.00 50.54 H new ATOM 1194 N THR A 86 15.118 29.871 -2.684 1.00 22.53 N ATOM 1195 CA THR A 86 14.850 31.179 -2.101 1.00 45.44 C ATOM 1196 C THR A 86 16.097 32.057 -2.125 1.00 54.12 C ATOM 1197 O THR A 86 17.221 31.555 -2.128 1.00 51.42 O ATOM 1198 CB THR A 86 14.350 31.057 -0.650 1.00 25.34 C ATOM 1199 OG1 THR A 86 13.560 29.872 -0.502 1.00 70.12 O ATOM 1200 CG2 THR A 86 13.527 32.274 -0.256 1.00 62.11 C ATOM 0 H THR A 86 16.060 29.518 -2.513 1.00 22.53 H new ATOM 0 HA THR A 86 14.071 31.641 -2.707 1.00 45.44 H new ATOM 0 HB THR A 86 15.219 30.998 0.006 1.00 25.34 H new ATOM 0 HG1 THR A 86 13.247 29.801 0.424 1.00 70.12 H new ATOM 0 HG21 THR A 86 13.185 32.164 0.773 1.00 62.11 H new ATOM 0 HG22 THR A 86 14.140 33.171 -0.341 1.00 62.11 H new ATOM 0 HG23 THR A 86 12.665 32.360 -0.918 1.00 62.11 H new ATOM 1208 N ASP A 87 15.890 33.369 -2.141 1.00 50.24 N ATOM 1209 CA ASP A 87 16.998 34.317 -2.163 1.00 53.50 C ATOM 1210 C ASP A 87 16.964 35.221 -0.934 1.00 72.22 C ATOM 1211 O ASP A 87 15.969 35.898 -0.676 1.00 34.02 O ATOM 1212 CB ASP A 87 16.947 35.164 -3.436 1.00 2.55 C ATOM 1213 CG ASP A 87 17.985 36.270 -3.437 1.00 34.03 C ATOM 1214 OD1 ASP A 87 17.739 37.314 -2.797 1.00 63.20 O ATOM 1215 OD2 ASP A 87 19.042 36.092 -4.078 1.00 75.31 O ATOM 0 H ASP A 87 14.966 33.800 -2.139 1.00 50.24 H new ATOM 0 HA ASP A 87 17.929 33.751 -2.150 1.00 53.50 H new ATOM 0 HB2 ASP A 87 17.103 34.522 -4.303 1.00 2.55 H new ATOM 0 HB3 ASP A 87 15.954 35.601 -3.538 1.00 2.55 H new ATOM 1220 N PHE A 88 18.057 35.225 -0.179 1.00 3.01 N ATOM 1221 CA PHE A 88 18.152 36.043 1.024 1.00 1.43 C ATOM 1222 C PHE A 88 19.448 36.848 1.034 1.00 45.21 C ATOM 1223 O PHE A 88 20.513 36.338 0.684 1.00 32.51 O ATOM 1224 CB PHE A 88 18.076 35.163 2.273 1.00 22.51 C ATOM 1225 CG PHE A 88 16.712 35.128 2.901 1.00 41.53 C ATOM 1226 CD1 PHE A 88 16.085 36.301 3.291 1.00 23.34 C ATOM 1227 CD2 PHE A 88 16.057 33.924 3.100 1.00 12.03 C ATOM 1228 CE1 PHE A 88 14.830 36.273 3.869 1.00 73.11 C ATOM 1229 CE2 PHE A 88 14.801 33.890 3.677 1.00 42.12 C ATOM 1230 CZ PHE A 88 14.187 35.066 4.063 1.00 64.23 C ATOM 0 H PHE A 88 18.890 34.671 -0.379 1.00 3.01 H new ATOM 0 HA PHE A 88 17.313 36.738 1.026 1.00 1.43 H new ATOM 0 HB2 PHE A 88 18.372 34.147 2.010 1.00 22.51 H new ATOM 0 HB3 PHE A 88 18.796 35.525 3.007 1.00 22.51 H new ATOM 0 HD1 PHE A 88 16.583 37.248 3.141 1.00 23.34 H new ATOM 0 HD2 PHE A 88 16.533 33.002 2.801 1.00 12.03 H new ATOM 0 HE1 PHE A 88 14.352 37.194 4.169 1.00 73.11 H new ATOM 0 HE2 PHE A 88 14.300 32.945 3.826 1.00 42.12 H new ATOM 0 HZ PHE A 88 13.207 35.042 4.515 1.00 64.23 H new ATOM 1240 N LYS A 89 19.351 38.111 1.436 1.00 30.34 N ATOM 1241 CA LYS A 89 20.514 38.988 1.493 1.00 1.21 C ATOM 1242 C LYS A 89 20.621 39.662 2.857 1.00 23.03 C ATOM 1243 O LYS A 89 19.797 40.506 3.211 1.00 64.34 O ATOM 1244 CB LYS A 89 20.432 40.049 0.393 1.00 2.34 C ATOM 1245 CG LYS A 89 21.594 41.028 0.405 1.00 73.13 C ATOM 1246 CD LYS A 89 22.024 41.399 -1.005 1.00 12.35 C ATOM 1247 CE LYS A 89 21.573 42.804 -1.373 1.00 12.42 C ATOM 1248 NZ LYS A 89 22.554 43.487 -2.262 1.00 34.51 N ATOM 0 H LYS A 89 18.478 38.550 1.727 1.00 30.34 H new ATOM 0 HA LYS A 89 21.405 38.380 1.337 1.00 1.21 H new ATOM 0 HB2 LYS A 89 20.396 39.553 -0.577 1.00 2.34 H new ATOM 0 HB3 LYS A 89 19.500 40.603 0.503 1.00 2.34 H new ATOM 0 HG2 LYS A 89 21.307 41.929 0.948 1.00 73.13 H new ATOM 0 HG3 LYS A 89 22.436 40.588 0.940 1.00 73.13 H new ATOM 0 HD2 LYS A 89 23.109 41.331 -1.086 1.00 12.35 H new ATOM 0 HD3 LYS A 89 21.606 40.684 -1.714 1.00 12.35 H new ATOM 0 HE2 LYS A 89 20.604 42.756 -1.871 1.00 12.42 H new ATOM 0 HE3 LYS A 89 21.436 43.391 -0.465 1.00 12.42 H new ATOM 0 HZ1 LYS A 89 22.210 44.442 -2.490 1.00 34.51 H new ATOM 0 HZ2 LYS A 89 23.472 43.556 -1.778 1.00 34.51 H new ATOM 0 HZ3 LYS A 89 22.666 42.941 -3.140 1.00 34.51 H new ATOM 1262 N VAL A 90 21.643 39.285 3.620 1.00 52.11 N ATOM 1263 CA VAL A 90 21.859 39.855 4.944 1.00 22.03 C ATOM 1264 C VAL A 90 22.806 41.048 4.881 1.00 12.42 C ATOM 1265 O VAL A 90 23.917 40.948 4.359 1.00 33.32 O ATOM 1266 CB VAL A 90 22.434 38.809 5.918 1.00 14.13 C ATOM 1267 CG1 VAL A 90 22.306 39.291 7.355 1.00 23.05 C ATOM 1268 CG2 VAL A 90 21.737 37.470 5.733 1.00 72.42 C ATOM 0 H VAL A 90 22.334 38.587 3.343 1.00 52.11 H new ATOM 0 HA VAL A 90 20.886 40.185 5.309 1.00 22.03 H new ATOM 0 HB VAL A 90 23.493 38.676 5.697 1.00 14.13 H new ATOM 0 HG11 VAL A 90 22.717 38.539 8.029 1.00 23.05 H new ATOM 0 HG12 VAL A 90 22.854 40.225 7.476 1.00 23.05 H new ATOM 0 HG13 VAL A 90 21.255 39.454 7.592 1.00 23.05 H new ATOM 0 HG21 VAL A 90 22.155 36.743 6.429 1.00 72.42 H new ATOM 0 HG22 VAL A 90 20.670 37.585 5.926 1.00 72.42 H new ATOM 0 HG23 VAL A 90 21.885 37.121 4.711 1.00 72.42 H new ATOM 1278 N THR A 91 22.359 42.180 5.417 1.00 2.11 N ATOM 1279 CA THR A 91 23.166 43.394 5.421 1.00 15.14 C ATOM 1280 C THR A 91 23.835 43.604 6.774 1.00 5.35 C ATOM 1281 O THR A 91 23.516 42.922 7.747 1.00 21.34 O ATOM 1282 CB THR A 91 22.316 44.634 5.084 1.00 61.02 C ATOM 1283 OG1 THR A 91 21.193 44.254 4.281 1.00 52.41 O ATOM 1284 CG2 THR A 91 23.146 45.673 4.345 1.00 13.42 C ATOM 0 H THR A 91 21.443 42.281 5.854 1.00 2.11 H new ATOM 0 HA THR A 91 23.932 43.268 4.655 1.00 15.14 H new ATOM 0 HB THR A 91 21.963 45.071 6.018 1.00 61.02 H new ATOM 0 HG1 THR A 91 20.657 45.047 4.072 1.00 52.41 H new ATOM 0 HG21 THR A 91 22.525 46.540 4.117 1.00 13.42 H new ATOM 0 HG22 THR A 91 23.984 45.981 4.970 1.00 13.42 H new ATOM 0 HG23 THR A 91 23.524 45.244 3.417 1.00 13.42 H new ATOM 1292 N GLN A 92 24.765 44.553 6.828 1.00 32.04 N ATOM 1293 CA GLN A 92 25.479 44.852 8.064 1.00 44.23 C ATOM 1294 C GLN A 92 24.963 46.142 8.692 1.00 4.33 C ATOM 1295 O GLN A 92 24.235 46.907 8.058 1.00 63.42 O ATOM 1296 CB GLN A 92 26.981 44.967 7.794 1.00 12.21 C ATOM 1297 CG GLN A 92 27.340 46.076 6.818 1.00 5.04 C ATOM 1298 CD GLN A 92 28.237 47.130 7.438 1.00 63.15 C ATOM 1299 OE1 GLN A 92 28.012 47.568 8.566 1.00 22.12 O ATOM 1300 NE2 GLN A 92 29.262 47.543 6.700 1.00 15.35 N ATOM 0 H GLN A 92 25.041 45.127 6.031 1.00 32.04 H new ATOM 0 HA GLN A 92 25.304 44.034 8.763 1.00 44.23 H new ATOM 0 HB2 GLN A 92 27.499 45.142 8.737 1.00 12.21 H new ATOM 0 HB3 GLN A 92 27.345 44.017 7.402 1.00 12.21 H new ATOM 0 HG2 GLN A 92 27.839 45.644 5.950 1.00 5.04 H new ATOM 0 HG3 GLN A 92 26.426 46.548 6.458 1.00 5.04 H new ATOM 0 HE21 GLN A 92 29.411 47.152 5.770 1.00 15.35 H new ATOM 0 HE22 GLN A 92 29.900 48.251 7.064 1.00 15.35 H new TER 1309 GLN A 92