USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 SER OG : rot -67:sc= -0.252 USER MOD Set 1.2: A 93 ASN : amide:sc= -2.22 K(o=-2.5,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 2:sc= 0.679 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.04) USER MOD Single : A 14 TYR OH : rot 78:sc= 1.2 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -150:sc= -1.12 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= 0.868 F(o=-1.1,f=0.87) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.834 X(o=-0.83,f=-0.68) USER MOD Single : A 63 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.4) USER MOD Single : A 64 SER OG : rot -18:sc= 0.628 USER MOD Single : A 65 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00763 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0976 USER MOD Single : A 77 SER OG : rot -136:sc= 0.953 USER MOD Single : A 78 ASN : amide:sc= -0.163 K(o=-0.16,f=-2.2!) USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0459) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0255 USER MOD Single : A 86 GLN :FLIP amide:sc= -1.27 F(o=-3.1!,f=-1.3) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -115:sc= 0.446 (180deg=-0.165) USER MOD Single : A 99 SER OG : rot 163:sc= 0.939 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0.845 K(o=0.85,f=-3.4!) USER MOD Single : A 103 SER OG : rot 34:sc= 0.513 USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 164:sc= 0.56 (180deg=0.454) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.055 -25.126 6.032 1.00 0.00 N ATOM 2 CA GLY A 1 -11.317 -25.009 4.609 1.00 0.00 C ATOM 3 C GLY A 1 -12.407 -24.001 4.302 1.00 0.00 C ATOM 4 O GLY A 1 -13.528 -24.375 3.959 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.303 -25.827 6.190 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.753 -24.204 6.406 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.921 -25.432 6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.401 -24.716 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.605 -25.983 4.214 1.00 0.00 H new ATOM 8 N SER A 2 -12.078 -22.719 4.426 1.00 0.00 N ATOM 9 CA SER A 2 -13.040 -21.655 4.165 1.00 0.00 C ATOM 10 C SER A 2 -14.389 -21.973 4.802 1.00 0.00 C ATOM 11 O SER A 2 -15.440 -21.757 4.197 1.00 0.00 O ATOM 12 CB SER A 2 -13.210 -21.451 2.658 1.00 0.00 C ATOM 13 OG SER A 2 -13.829 -22.576 2.058 1.00 0.00 O ATOM 0 H SER A 2 -11.153 -22.392 4.705 1.00 0.00 H new ATOM 0 HA SER A 2 -12.657 -20.736 4.608 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.811 -20.560 2.474 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.236 -21.280 2.199 1.00 0.00 H new ATOM 0 HG SER A 2 -14.046 -23.237 2.748 1.00 0.00 H new ATOM 19 N SER A 3 -14.352 -22.488 6.026 1.00 0.00 N ATOM 20 CA SER A 3 -15.570 -22.840 6.745 1.00 0.00 C ATOM 21 C SER A 3 -16.562 -21.680 6.734 1.00 0.00 C ATOM 22 O SER A 3 -17.758 -21.873 6.521 1.00 0.00 O ATOM 23 CB SER A 3 -15.242 -23.231 8.187 1.00 0.00 C ATOM 24 OG SER A 3 -14.741 -24.555 8.255 1.00 0.00 O ATOM 0 H SER A 3 -13.491 -22.671 6.541 1.00 0.00 H new ATOM 0 HA SER A 3 -16.027 -23.691 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.506 -22.539 8.596 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.137 -23.145 8.803 1.00 0.00 H new ATOM 0 HG SER A 3 -14.537 -24.780 9.187 1.00 0.00 H new ATOM 30 N GLY A 4 -16.054 -20.473 6.965 1.00 0.00 N ATOM 31 CA GLY A 4 -16.907 -19.299 6.978 1.00 0.00 C ATOM 32 C GLY A 4 -16.564 -18.321 5.873 1.00 0.00 C ATOM 33 O GLY A 4 -17.375 -18.072 4.981 1.00 0.00 O ATOM 0 H GLY A 4 -15.067 -20.287 7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.947 -19.608 6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.817 -18.799 7.942 1.00 0.00 H new ATOM 37 N SER A 5 -15.359 -17.763 5.931 1.00 0.00 N ATOM 38 CA SER A 5 -14.912 -16.802 4.929 1.00 0.00 C ATOM 39 C SER A 5 -14.501 -17.510 3.642 1.00 0.00 C ATOM 40 O SER A 5 -14.111 -18.678 3.660 1.00 0.00 O ATOM 41 CB SER A 5 -13.740 -15.979 5.469 1.00 0.00 C ATOM 42 OG SER A 5 -14.115 -15.257 6.629 1.00 0.00 O ATOM 0 H SER A 5 -14.675 -17.960 6.661 1.00 0.00 H new ATOM 0 HA SER A 5 -15.744 -16.134 4.705 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.905 -16.639 5.702 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.394 -15.286 4.702 1.00 0.00 H new ATOM 0 HG SER A 5 -13.348 -14.741 6.955 1.00 0.00 H new ATOM 48 N SER A 6 -14.591 -16.794 2.526 1.00 0.00 N ATOM 49 CA SER A 6 -14.232 -17.354 1.228 1.00 0.00 C ATOM 50 C SER A 6 -12.776 -17.051 0.889 1.00 0.00 C ATOM 51 O SER A 6 -12.487 -16.233 0.016 1.00 0.00 O ATOM 52 CB SER A 6 -15.148 -16.796 0.137 1.00 0.00 C ATOM 53 OG SER A 6 -16.493 -17.188 0.351 1.00 0.00 O ATOM 0 H SER A 6 -14.909 -15.825 2.494 1.00 0.00 H new ATOM 0 HA SER A 6 -14.357 -18.436 1.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.081 -15.708 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.814 -17.149 -0.839 1.00 0.00 H new ATOM 0 HG SER A 6 -17.059 -16.817 -0.358 1.00 0.00 H new ATOM 59 N GLY A 7 -11.861 -17.717 1.587 1.00 0.00 N ATOM 60 CA GLY A 7 -10.445 -17.506 1.347 1.00 0.00 C ATOM 61 C GLY A 7 -10.113 -16.051 1.085 1.00 0.00 C ATOM 62 O GLY A 7 -9.272 -15.741 0.239 1.00 0.00 O ATOM 0 H GLY A 7 -12.075 -18.399 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.877 -17.856 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.131 -18.107 0.494 1.00 0.00 H new ATOM 66 N LEU A 8 -10.774 -15.155 1.809 1.00 0.00 N ATOM 67 CA LEU A 8 -10.545 -13.723 1.650 1.00 0.00 C ATOM 68 C LEU A 8 -9.477 -13.230 2.621 1.00 0.00 C ATOM 69 O LEU A 8 -9.391 -13.676 3.765 1.00 0.00 O ATOM 70 CB LEU A 8 -11.847 -12.950 1.871 1.00 0.00 C ATOM 71 CG LEU A 8 -12.845 -12.971 0.713 1.00 0.00 C ATOM 72 CD1 LEU A 8 -14.270 -12.875 1.234 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.554 -11.838 -0.262 1.00 0.00 C ATOM 0 H LEU A 8 -11.473 -15.395 2.512 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.194 -13.548 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.339 -13.353 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.597 -11.912 2.090 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.737 -13.917 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.966 -12.891 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.475 -13.720 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.393 -11.945 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.274 -11.868 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.633 -10.882 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.546 -11.951 -0.661 1.00 0.00 H new ATOM 85 N PRO A 9 -8.644 -12.287 2.156 1.00 0.00 N ATOM 86 CA PRO A 9 -7.568 -11.712 2.969 1.00 0.00 C ATOM 87 C PRO A 9 -8.099 -10.828 4.092 1.00 0.00 C ATOM 88 O PRO A 9 -9.255 -10.406 4.067 1.00 0.00 O ATOM 89 CB PRO A 9 -6.771 -10.877 1.963 1.00 0.00 C ATOM 90 CG PRO A 9 -7.751 -10.538 0.892 1.00 0.00 C ATOM 91 CD PRO A 9 -8.688 -11.710 0.802 1.00 0.00 C ATOM 0 HA PRO A 9 -6.978 -12.481 3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.365 -9.978 2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.926 -11.438 1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.292 -9.623 1.134 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.246 -10.368 -0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.697 -11.398 0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.363 -12.428 0.049 1.00 0.00 H new ATOM 99 N GLN A 10 -7.248 -10.551 5.074 1.00 0.00 N ATOM 100 CA GLN A 10 -7.633 -9.717 6.206 1.00 0.00 C ATOM 101 C GLN A 10 -6.464 -8.855 6.670 1.00 0.00 C ATOM 102 O GLN A 10 -5.304 -9.256 6.569 1.00 0.00 O ATOM 103 CB GLN A 10 -8.130 -10.587 7.362 1.00 0.00 C ATOM 104 CG GLN A 10 -9.615 -10.904 7.290 1.00 0.00 C ATOM 105 CD GLN A 10 -10.483 -9.717 7.662 1.00 0.00 C ATOM 106 OE1 GLN A 10 -10.643 -9.395 8.839 1.00 0.00 O ATOM 107 NE2 GLN A 10 -11.050 -9.060 6.656 1.00 0.00 N ATOM 0 H GLN A 10 -6.287 -10.892 5.109 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.440 -9.059 5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.568 -11.521 7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.920 -10.080 8.304 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.865 -11.230 6.280 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.838 -11.736 7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.890 -9.362 5.695 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.645 -8.254 6.845 1.00 0.00 H new ATOM 116 N VAL A 11 -6.776 -7.667 7.179 1.00 0.00 N ATOM 117 CA VAL A 11 -5.751 -6.748 7.659 1.00 0.00 C ATOM 118 C VAL A 11 -6.080 -6.240 9.058 1.00 0.00 C ATOM 119 O VAL A 11 -6.735 -5.210 9.217 1.00 0.00 O ATOM 120 CB VAL A 11 -5.590 -5.543 6.713 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.540 -4.581 7.247 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.230 -6.012 5.311 1.00 0.00 C ATOM 0 H VAL A 11 -7.730 -7.319 7.269 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.815 -7.306 7.688 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.541 -5.013 6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.440 -3.736 6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.843 -4.220 8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.583 -5.096 7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.120 -5.148 4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.292 -6.566 5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.020 -6.659 4.930 1.00 0.00 H new ATOM 132 N GLU A 12 -5.622 -6.970 10.070 1.00 0.00 N ATOM 133 CA GLU A 12 -5.868 -6.593 11.457 1.00 0.00 C ATOM 134 C GLU A 12 -5.378 -5.174 11.730 1.00 0.00 C ATOM 135 O GLU A 12 -6.119 -4.339 12.249 1.00 0.00 O ATOM 136 CB GLU A 12 -5.178 -7.575 12.406 1.00 0.00 C ATOM 137 CG GLU A 12 -5.885 -7.729 13.742 1.00 0.00 C ATOM 138 CD GLU A 12 -5.968 -6.425 14.512 1.00 0.00 C ATOM 139 OE1 GLU A 12 -4.905 -5.831 14.789 1.00 0.00 O ATOM 140 OE2 GLU A 12 -7.096 -5.998 14.837 1.00 0.00 O ATOM 0 H GLU A 12 -5.079 -7.826 9.955 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.944 -6.627 11.631 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.115 -8.550 11.923 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.156 -7.240 12.582 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.892 -8.112 13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.358 -8.469 14.344 1.00 0.00 H new ATOM 147 N ALA A 13 -4.124 -4.909 11.378 1.00 0.00 N ATOM 148 CA ALA A 13 -3.535 -3.592 11.584 1.00 0.00 C ATOM 149 C ALA A 13 -2.309 -3.395 10.699 1.00 0.00 C ATOM 150 O ALA A 13 -1.767 -4.355 10.150 1.00 0.00 O ATOM 151 CB ALA A 13 -3.168 -3.401 13.048 1.00 0.00 C ATOM 0 H ALA A 13 -3.497 -5.589 10.949 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.276 -2.842 11.306 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.729 -2.413 13.187 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.064 -3.490 13.662 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.448 -4.163 13.345 1.00 0.00 H new ATOM 157 N TYR A 14 -1.877 -2.146 10.565 1.00 0.00 N ATOM 158 CA TYR A 14 -0.716 -1.824 9.744 1.00 0.00 C ATOM 159 C TYR A 14 0.039 -0.626 10.314 1.00 0.00 C ATOM 160 O TYR A 14 -0.567 0.345 10.766 1.00 0.00 O ATOM 161 CB TYR A 14 -1.148 -1.531 8.306 1.00 0.00 C ATOM 162 CG TYR A 14 -2.117 -0.376 8.188 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.706 0.929 8.432 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.443 -0.590 7.833 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.588 1.987 8.326 1.00 0.00 C ATOM 166 CE2 TYR A 14 -4.332 0.462 7.723 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.900 1.748 7.971 1.00 0.00 C ATOM 168 OH TYR A 14 -4.782 2.798 7.864 1.00 0.00 O ATOM 0 H TYR A 14 -2.313 -1.341 11.014 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.049 -2.686 9.748 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.264 -1.315 7.707 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.608 -2.425 7.884 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.680 1.119 8.709 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.785 -1.596 7.640 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.253 2.995 8.520 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.359 0.278 7.444 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.628 3.270 7.019 1.00 0.00 H new ATOM 178 N SER A 15 1.365 -0.705 10.288 1.00 0.00 N ATOM 179 CA SER A 15 2.205 0.370 10.805 1.00 0.00 C ATOM 180 C SER A 15 3.514 0.458 10.027 1.00 0.00 C ATOM 181 O SER A 15 4.037 -0.538 9.526 1.00 0.00 O ATOM 182 CB SER A 15 2.494 0.150 12.291 1.00 0.00 C ATOM 183 OG SER A 15 2.953 -1.169 12.531 1.00 0.00 O ATOM 0 H SER A 15 1.881 -1.502 9.915 1.00 0.00 H new ATOM 0 HA SER A 15 1.667 1.310 10.683 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.243 0.866 12.629 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.590 0.335 12.872 1.00 0.00 H new ATOM 0 HG SER A 15 3.132 -1.284 13.488 1.00 0.00 H new ATOM 189 N PRO A 16 4.059 1.680 9.924 1.00 0.00 N ATOM 190 CA PRO A 16 3.446 2.872 10.516 1.00 0.00 C ATOM 191 C PRO A 16 2.160 3.278 9.803 1.00 0.00 C ATOM 192 O PRO A 16 2.008 3.055 8.602 1.00 0.00 O ATOM 193 CB PRO A 16 4.519 3.949 10.336 1.00 0.00 C ATOM 194 CG PRO A 16 5.321 3.493 9.166 1.00 0.00 C ATOM 195 CD PRO A 16 5.315 1.990 9.220 1.00 0.00 C ATOM 0 HA PRO A 16 3.156 2.708 11.554 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.072 4.926 10.153 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.138 4.044 11.228 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.888 3.852 8.232 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.338 3.881 9.215 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.335 1.552 8.222 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.182 1.603 9.756 1.00 0.00 H new ATOM 203 N SER A 17 1.237 3.874 10.551 1.00 0.00 N ATOM 204 CA SER A 17 -0.037 4.308 9.991 1.00 0.00 C ATOM 205 C SER A 17 0.180 5.257 8.816 1.00 0.00 C ATOM 206 O SER A 17 -0.625 5.307 7.887 1.00 0.00 O ATOM 207 CB SER A 17 -0.884 4.994 11.065 1.00 0.00 C ATOM 208 OG SER A 17 -2.210 5.204 10.612 1.00 0.00 O ATOM 0 H SER A 17 1.348 4.067 11.546 1.00 0.00 H new ATOM 0 HA SER A 17 -0.565 3.426 9.630 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.897 4.383 11.967 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.433 5.949 11.333 1.00 0.00 H new ATOM 0 HG SER A 17 -2.731 5.642 11.317 1.00 0.00 H new ATOM 214 N ALA A 18 1.276 6.008 8.865 1.00 0.00 N ATOM 215 CA ALA A 18 1.602 6.954 7.805 1.00 0.00 C ATOM 216 C ALA A 18 3.109 7.040 7.591 1.00 0.00 C ATOM 217 O ALA A 18 3.889 6.506 8.380 1.00 0.00 O ATOM 218 CB ALA A 18 1.033 8.327 8.130 1.00 0.00 C ATOM 0 H ALA A 18 1.953 5.979 9.628 1.00 0.00 H new ATOM 0 HA ALA A 18 1.150 6.596 6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.284 9.024 7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.051 8.259 8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.458 8.684 9.068 1.00 0.00 H new ATOM 224 N CYS A 19 3.512 7.715 6.520 1.00 0.00 N ATOM 225 CA CYS A 19 4.927 7.870 6.201 1.00 0.00 C ATOM 226 C CYS A 19 5.138 9.000 5.199 1.00 0.00 C ATOM 227 O CYS A 19 4.180 9.625 4.743 1.00 0.00 O ATOM 228 CB CYS A 19 5.491 6.563 5.641 1.00 0.00 C ATOM 229 SG CYS A 19 7.254 6.323 5.961 1.00 0.00 S ATOM 0 H CYS A 19 2.879 8.164 5.858 1.00 0.00 H new ATOM 0 HA CYS A 19 5.456 8.121 7.120 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.938 5.728 6.070 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.321 6.538 4.565 1.00 0.00 H new ATOM 0 HG CYS A 19 7.777 5.617 5.003 1.00 0.00 H new ATOM 235 N SER A 20 6.397 9.258 4.862 1.00 0.00 N ATOM 236 CA SER A 20 6.735 10.317 3.919 1.00 0.00 C ATOM 237 C SER A 20 6.555 9.840 2.480 1.00 0.00 C ATOM 238 O SER A 20 6.721 8.658 2.181 1.00 0.00 O ATOM 239 CB SER A 20 8.175 10.784 4.137 1.00 0.00 C ATOM 240 OG SER A 20 8.281 11.584 5.302 1.00 0.00 O ATOM 0 H SER A 20 7.201 8.748 5.228 1.00 0.00 H new ATOM 0 HA SER A 20 6.060 11.154 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.832 9.919 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.512 11.352 3.270 1.00 0.00 H new ATOM 0 HG SER A 20 9.211 11.868 5.420 1.00 0.00 H new ATOM 246 N VAL A 21 6.215 10.771 1.594 1.00 0.00 N ATOM 247 CA VAL A 21 6.014 10.448 0.186 1.00 0.00 C ATOM 248 C VAL A 21 7.159 9.598 -0.352 1.00 0.00 C ATOM 249 O VAL A 21 6.950 8.699 -1.167 1.00 0.00 O ATOM 250 CB VAL A 21 5.887 11.722 -0.670 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.542 12.391 -0.435 1.00 0.00 C ATOM 252 CG2 VAL A 21 7.029 12.681 -0.368 1.00 0.00 C ATOM 0 H VAL A 21 6.073 11.754 1.826 1.00 0.00 H new ATOM 0 HA VAL A 21 5.085 9.882 0.121 1.00 0.00 H new ATOM 0 HB VAL A 21 5.947 11.441 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.470 13.289 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.741 11.703 -0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.449 12.661 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.924 13.576 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.002 12.958 0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.980 12.197 -0.592 1.00 0.00 H new ATOM 262 N ARG A 22 8.372 9.890 0.108 1.00 0.00 N ATOM 263 CA ARG A 22 9.552 9.153 -0.328 1.00 0.00 C ATOM 264 C ARG A 22 9.334 7.649 -0.195 1.00 0.00 C ATOM 265 O ARG A 22 9.725 6.875 -1.068 1.00 0.00 O ATOM 266 CB ARG A 22 10.774 9.576 0.489 1.00 0.00 C ATOM 267 CG ARG A 22 10.654 9.262 1.971 1.00 0.00 C ATOM 268 CD ARG A 22 11.729 9.972 2.780 1.00 0.00 C ATOM 269 NE ARG A 22 12.942 9.168 2.903 1.00 0.00 N ATOM 270 CZ ARG A 22 14.136 9.678 3.183 1.00 0.00 C ATOM 271 NH1 ARG A 22 14.277 10.983 3.368 1.00 0.00 N ATOM 272 NH2 ARG A 22 15.193 8.881 3.279 1.00 0.00 N ATOM 0 H ARG A 22 8.563 10.631 0.782 1.00 0.00 H new ATOM 0 HA ARG A 22 9.727 9.386 -1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.657 9.077 0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.930 10.648 0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.669 9.563 2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.734 8.186 2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.971 10.923 2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.343 10.201 3.774 1.00 0.00 H new ATOM 0 HE ARG A 22 12.868 8.160 2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.467 11.599 3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.195 11.371 3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.089 7.876 3.138 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.110 9.273 3.494 1.00 0.00 H new ATOM 286 N GLY A 23 8.707 7.242 0.905 1.00 0.00 N ATOM 287 CA GLY A 23 8.448 5.832 1.132 1.00 0.00 C ATOM 288 C GLY A 23 9.715 5.048 1.409 1.00 0.00 C ATOM 289 O GLY A 23 10.508 5.420 2.274 1.00 0.00 O ATOM 0 H GLY A 23 8.374 7.863 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.765 5.722 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.948 5.412 0.259 1.00 0.00 H new ATOM 293 N GLY A 24 9.907 3.956 0.674 1.00 0.00 N ATOM 294 CA GLY A 24 11.088 3.133 0.862 1.00 0.00 C ATOM 295 C GLY A 24 11.307 2.756 2.313 1.00 0.00 C ATOM 296 O GLY A 24 12.445 2.610 2.758 1.00 0.00 O ATOM 0 H GLY A 24 9.266 3.627 -0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.994 2.226 0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.963 3.669 0.493 1.00 0.00 H new ATOM 300 N GLU A 25 10.214 2.600 3.054 1.00 0.00 N ATOM 301 CA GLU A 25 10.293 2.240 4.465 1.00 0.00 C ATOM 302 C GLU A 25 9.869 0.790 4.681 1.00 0.00 C ATOM 303 O GLU A 25 9.394 0.128 3.759 1.00 0.00 O ATOM 304 CB GLU A 25 9.414 3.171 5.302 1.00 0.00 C ATOM 305 CG GLU A 25 7.929 2.866 5.193 1.00 0.00 C ATOM 306 CD GLU A 25 7.173 3.185 6.469 1.00 0.00 C ATOM 307 OE1 GLU A 25 7.810 3.217 7.543 1.00 0.00 O ATOM 308 OE2 GLU A 25 5.946 3.401 6.393 1.00 0.00 O ATOM 0 H GLU A 25 9.264 2.717 2.701 1.00 0.00 H new ATOM 0 HA GLU A 25 11.330 2.348 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.715 3.099 6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.589 4.201 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.503 3.440 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.795 1.812 4.950 1.00 0.00 H new ATOM 315 N GLU A 26 10.045 0.305 5.907 1.00 0.00 N ATOM 316 CA GLU A 26 9.681 -1.066 6.244 1.00 0.00 C ATOM 317 C GLU A 26 8.242 -1.140 6.746 1.00 0.00 C ATOM 318 O GLU A 26 7.982 -1.000 7.942 1.00 0.00 O ATOM 319 CB GLU A 26 10.632 -1.624 7.305 1.00 0.00 C ATOM 320 CG GLU A 26 10.632 -3.141 7.386 1.00 0.00 C ATOM 321 CD GLU A 26 11.724 -3.677 8.292 1.00 0.00 C ATOM 322 OE1 GLU A 26 12.850 -3.892 7.798 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.452 -3.881 9.493 1.00 0.00 O ATOM 0 H GLU A 26 10.437 0.841 6.682 1.00 0.00 H new ATOM 0 HA GLU A 26 9.763 -1.669 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.644 -1.280 7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.356 -1.217 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.663 -3.482 7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.760 -3.555 6.386 1.00 0.00 H new ATOM 330 N LEU A 27 7.311 -1.360 5.824 1.00 0.00 N ATOM 331 CA LEU A 27 5.897 -1.452 6.172 1.00 0.00 C ATOM 332 C LEU A 27 5.495 -2.899 6.440 1.00 0.00 C ATOM 333 O LEU A 27 5.589 -3.754 5.558 1.00 0.00 O ATOM 334 CB LEU A 27 5.036 -0.871 5.049 1.00 0.00 C ATOM 335 CG LEU A 27 3.524 -0.920 5.269 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.134 -0.093 6.484 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.789 -0.429 4.030 1.00 0.00 C ATOM 0 H LEU A 27 7.509 -1.478 4.830 1.00 0.00 H new ATOM 0 HA LEU A 27 5.734 -0.875 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.327 0.168 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.266 -1.406 4.128 1.00 0.00 H new ATOM 0 HG LEU A 27 3.236 -1.955 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.054 -0.140 6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.633 -0.489 7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.435 0.943 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.714 -0.471 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.082 0.599 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.044 -1.063 3.181 1.00 0.00 H new ATOM 349 N VAL A 28 5.045 -3.167 7.661 1.00 0.00 N ATOM 350 CA VAL A 28 4.625 -4.509 8.044 1.00 0.00 C ATOM 351 C VAL A 28 3.116 -4.574 8.258 1.00 0.00 C ATOM 352 O VAL A 28 2.590 -4.012 9.220 1.00 0.00 O ATOM 353 CB VAL A 28 5.334 -4.974 9.330 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.859 -6.363 9.730 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.844 -4.953 9.142 1.00 0.00 C ATOM 0 H VAL A 28 4.962 -2.472 8.403 1.00 0.00 H new ATOM 0 HA VAL A 28 4.902 -5.172 7.224 1.00 0.00 H new ATOM 0 HB VAL A 28 5.080 -4.283 10.134 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.371 -6.674 10.640 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.784 -6.343 9.907 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.082 -7.068 8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.330 -5.284 10.060 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.118 -5.620 8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.167 -3.939 8.906 1.00 0.00 H new ATOM 365 N LEU A 29 2.426 -5.261 7.355 1.00 0.00 N ATOM 366 CA LEU A 29 0.976 -5.400 7.445 1.00 0.00 C ATOM 367 C LEU A 29 0.596 -6.611 8.291 1.00 0.00 C ATOM 368 O LEU A 29 1.019 -7.734 8.013 1.00 0.00 O ATOM 369 CB LEU A 29 0.369 -5.530 6.047 1.00 0.00 C ATOM 370 CG LEU A 29 0.720 -4.418 5.057 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.448 -4.869 3.630 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.063 -3.153 5.377 1.00 0.00 C ATOM 0 H LEU A 29 2.846 -5.730 6.553 1.00 0.00 H new ATOM 0 HA LEU A 29 0.579 -4.506 7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.687 -6.482 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.716 -5.572 6.146 1.00 0.00 H new ATOM 0 HG LEU A 29 1.783 -4.197 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.703 -4.065 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.053 -5.747 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.608 -5.118 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.199 -2.372 4.663 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.131 -3.360 5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.181 -2.819 6.385 1.00 0.00 H new ATOM 384 N THR A 30 -0.206 -6.376 9.325 1.00 0.00 N ATOM 385 CA THR A 30 -0.644 -7.447 10.211 1.00 0.00 C ATOM 386 C THR A 30 -2.045 -7.925 9.846 1.00 0.00 C ATOM 387 O THR A 30 -2.938 -7.119 9.587 1.00 0.00 O ATOM 388 CB THR A 30 -0.636 -6.996 11.684 1.00 0.00 C ATOM 389 OG1 THR A 30 0.638 -6.433 12.017 1.00 0.00 O ATOM 390 CG2 THR A 30 -0.936 -8.165 12.610 1.00 0.00 C ATOM 0 H THR A 30 -0.565 -5.453 9.569 1.00 0.00 H new ATOM 0 HA THR A 30 0.061 -8.269 10.086 1.00 0.00 H new ATOM 0 HB THR A 30 -1.412 -6.242 11.814 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.634 -6.147 12.954 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.925 -7.822 13.645 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.919 -8.573 12.374 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.180 -8.939 12.476 1.00 0.00 H new ATOM 398 N GLY A 31 -2.230 -9.241 9.826 1.00 0.00 N ATOM 399 CA GLY A 31 -3.526 -9.803 9.492 1.00 0.00 C ATOM 400 C GLY A 31 -3.493 -11.315 9.389 1.00 0.00 C ATOM 401 O GLY A 31 -2.792 -11.981 10.152 1.00 0.00 O ATOM 0 H GLY A 31 -1.506 -9.928 10.035 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.252 -9.509 10.250 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.867 -9.385 8.545 1.00 0.00 H new ATOM 405 N SER A 32 -4.255 -11.859 8.446 1.00 0.00 N ATOM 406 CA SER A 32 -4.314 -13.303 8.250 1.00 0.00 C ATOM 407 C SER A 32 -4.733 -13.641 6.823 1.00 0.00 C ATOM 408 O SER A 32 -5.056 -12.755 6.033 1.00 0.00 O ATOM 409 CB SER A 32 -5.293 -13.934 9.243 1.00 0.00 C ATOM 410 OG SER A 32 -4.923 -15.267 9.547 1.00 0.00 O ATOM 0 H SER A 32 -4.840 -11.322 7.806 1.00 0.00 H new ATOM 0 HA SER A 32 -3.318 -13.709 8.424 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.319 -13.343 10.158 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.300 -13.919 8.825 1.00 0.00 H new ATOM 0 HG SER A 32 -5.563 -15.647 10.184 1.00 0.00 H new ATOM 416 N ASN A 33 -4.723 -14.930 6.499 1.00 0.00 N ATOM 417 CA ASN A 33 -5.101 -15.387 5.167 1.00 0.00 C ATOM 418 C ASN A 33 -4.258 -14.698 4.097 1.00 0.00 C ATOM 419 O ASN A 33 -4.773 -14.282 3.059 1.00 0.00 O ATOM 420 CB ASN A 33 -6.585 -15.118 4.914 1.00 0.00 C ATOM 421 CG ASN A 33 -7.142 -15.962 3.784 1.00 0.00 C ATOM 422 OD1 ASN A 33 -8.003 -16.914 4.126 1.00 0.00 O flip ATOM 423 ND2 ASN A 33 -6.802 -15.761 2.618 1.00 0.00 N flip ATOM 0 H ASN A 33 -4.457 -15.677 7.141 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.920 -16.460 5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.148 -15.319 5.825 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.725 -14.063 4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.137 -15.018 2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.185 -16.337 1.869 1.00 0.00 H new ATOM 430 N PHE A 34 -2.960 -14.583 4.357 1.00 0.00 N ATOM 431 CA PHE A 34 -2.046 -13.945 3.417 1.00 0.00 C ATOM 432 C PHE A 34 -1.350 -14.985 2.544 1.00 0.00 C ATOM 433 O PHE A 34 -1.327 -16.172 2.872 1.00 0.00 O ATOM 434 CB PHE A 34 -1.004 -13.115 4.170 1.00 0.00 C ATOM 435 CG PHE A 34 -1.561 -11.859 4.776 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.395 -11.031 4.042 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.251 -11.506 6.079 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.910 -9.875 4.597 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.763 -10.351 6.639 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.593 -9.534 5.897 1.00 0.00 C ATOM 0 H PHE A 34 -2.517 -14.923 5.211 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.628 -13.287 2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.566 -13.726 4.959 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.197 -12.852 3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.645 -11.292 3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.602 -12.141 6.664 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.560 -9.239 4.015 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.514 -10.087 7.656 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.993 -8.630 6.332 1.00 0.00 H new ATOM 450 N LEU A 35 -0.786 -14.531 1.430 1.00 0.00 N ATOM 451 CA LEU A 35 -0.089 -15.422 0.508 1.00 0.00 C ATOM 452 C LEU A 35 1.129 -14.733 -0.098 1.00 0.00 C ATOM 453 O LEU A 35 1.185 -13.509 -0.218 1.00 0.00 O ATOM 454 CB LEU A 35 -1.036 -15.879 -0.603 1.00 0.00 C ATOM 455 CG LEU A 35 -2.210 -16.756 -0.166 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.407 -16.540 -1.079 1.00 0.00 C ATOM 457 CD2 LEU A 35 -1.805 -18.222 -0.152 1.00 0.00 C ATOM 0 H LEU A 35 -0.797 -13.552 1.143 1.00 0.00 H new ATOM 0 HA LEU A 35 0.251 -16.293 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.435 -14.994 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.456 -16.427 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.495 -16.469 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.232 -17.172 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.712 -15.494 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.135 -16.798 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.653 -18.831 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.492 -18.523 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.979 -18.365 0.545 1.00 0.00 H new ATOM 469 N PRO A 36 2.129 -15.536 -0.491 1.00 0.00 N ATOM 470 CA PRO A 36 3.364 -15.026 -1.095 1.00 0.00 C ATOM 471 C PRO A 36 3.136 -14.462 -2.493 1.00 0.00 C ATOM 472 O PRO A 36 3.631 -13.385 -2.826 1.00 0.00 O ATOM 473 CB PRO A 36 4.265 -16.262 -1.157 1.00 0.00 C ATOM 474 CG PRO A 36 3.323 -17.416 -1.196 1.00 0.00 C ATOM 475 CD PRO A 36 2.130 -17.004 -0.378 1.00 0.00 C ATOM 0 HA PRO A 36 3.788 -14.201 -0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.904 -16.242 -2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.922 -16.317 -0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.032 -17.648 -2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.787 -18.313 -0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.208 -17.437 -0.766 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.223 -17.327 0.659 1.00 0.00 H new ATOM 483 N ASP A 37 2.385 -15.195 -3.306 1.00 0.00 N ATOM 484 CA ASP A 37 2.090 -14.767 -4.669 1.00 0.00 C ATOM 485 C ASP A 37 1.267 -13.483 -4.668 1.00 0.00 C ATOM 486 O ASP A 37 1.337 -12.688 -5.606 1.00 0.00 O ATOM 487 CB ASP A 37 1.340 -15.867 -5.422 1.00 0.00 C ATOM 488 CG ASP A 37 -0.108 -15.983 -4.987 1.00 0.00 C ATOM 489 OD1 ASP A 37 -0.915 -15.113 -5.376 1.00 0.00 O ATOM 490 OD2 ASP A 37 -0.433 -16.944 -4.260 1.00 0.00 O ATOM 0 H ASP A 37 1.969 -16.089 -3.046 1.00 0.00 H new ATOM 0 HA ASP A 37 3.036 -14.572 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.380 -15.663 -6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.842 -16.821 -5.261 1.00 0.00 H new ATOM 495 N SER A 38 0.486 -13.286 -3.611 1.00 0.00 N ATOM 496 CA SER A 38 -0.354 -12.101 -3.490 1.00 0.00 C ATOM 497 C SER A 38 0.391 -10.856 -3.962 1.00 0.00 C ATOM 498 O SER A 38 1.617 -10.859 -4.079 1.00 0.00 O ATOM 499 CB SER A 38 -0.810 -11.918 -2.042 1.00 0.00 C ATOM 500 OG SER A 38 -1.805 -12.866 -1.696 1.00 0.00 O ATOM 0 H SER A 38 0.418 -13.933 -2.825 1.00 0.00 H new ATOM 0 HA SER A 38 -1.230 -12.241 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.044 -12.022 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.201 -10.910 -1.905 1.00 0.00 H new ATOM 0 HG SER A 38 -2.619 -12.688 -2.211 1.00 0.00 H new ATOM 506 N LYS A 39 -0.358 -9.792 -4.232 1.00 0.00 N ATOM 507 CA LYS A 39 0.229 -8.538 -4.690 1.00 0.00 C ATOM 508 C LYS A 39 -0.376 -7.351 -3.947 1.00 0.00 C ATOM 509 O LYS A 39 -1.451 -7.457 -3.357 1.00 0.00 O ATOM 510 CB LYS A 39 0.018 -8.373 -6.196 1.00 0.00 C ATOM 511 CG LYS A 39 0.774 -9.390 -7.032 1.00 0.00 C ATOM 512 CD LYS A 39 0.690 -9.067 -8.515 1.00 0.00 C ATOM 513 CE LYS A 39 1.696 -7.997 -8.910 1.00 0.00 C ATOM 514 NZ LYS A 39 1.546 -7.594 -10.336 1.00 0.00 N ATOM 0 H LYS A 39 -1.374 -9.773 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 39 1.298 -8.568 -4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.046 -8.454 -6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.329 -7.371 -6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.819 -9.412 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.367 -10.385 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.872 -9.971 -9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.317 -8.729 -8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.567 -7.124 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.707 -8.369 -8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.249 -6.863 -10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.694 -8.422 -10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.590 -7.215 -10.491 1.00 0.00 H new ATOM 528 N VAL A 40 0.322 -6.220 -3.981 1.00 0.00 N ATOM 529 CA VAL A 40 -0.148 -5.012 -3.314 1.00 0.00 C ATOM 530 C VAL A 40 0.026 -3.788 -4.206 1.00 0.00 C ATOM 531 O VAL A 40 1.147 -3.399 -4.534 1.00 0.00 O ATOM 532 CB VAL A 40 0.600 -4.777 -1.988 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.109 -3.503 -1.316 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.434 -5.974 -1.064 1.00 0.00 C ATOM 0 H VAL A 40 1.215 -6.115 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.208 -5.158 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 40 1.661 -4.659 -2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.649 -3.354 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.284 -2.653 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.958 -3.589 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.969 -5.791 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.624 -6.126 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.838 -6.864 -1.546 1.00 0.00 H new ATOM 544 N VAL A 41 -1.092 -3.183 -4.596 1.00 0.00 N ATOM 545 CA VAL A 41 -1.064 -2.002 -5.450 1.00 0.00 C ATOM 546 C VAL A 41 -1.605 -0.780 -4.716 1.00 0.00 C ATOM 547 O VAL A 41 -2.416 -0.903 -3.798 1.00 0.00 O ATOM 548 CB VAL A 41 -1.883 -2.219 -6.736 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.473 -3.515 -7.419 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.372 -2.219 -6.425 1.00 0.00 C ATOM 0 H VAL A 41 -2.028 -3.492 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.021 -1.830 -5.717 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.677 -1.396 -7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.063 -3.651 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.415 -3.471 -7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.647 -4.353 -6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.936 -2.374 -7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.597 -3.021 -5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.652 -1.262 -5.984 1.00 0.00 H new ATOM 560 N PHE A 42 -1.150 0.399 -5.126 1.00 0.00 N ATOM 561 CA PHE A 42 -1.588 1.644 -4.506 1.00 0.00 C ATOM 562 C PHE A 42 -2.548 2.399 -5.421 1.00 0.00 C ATOM 563 O PHE A 42 -2.675 2.080 -6.604 1.00 0.00 O ATOM 564 CB PHE A 42 -0.382 2.526 -4.176 1.00 0.00 C ATOM 565 CG PHE A 42 0.351 2.100 -2.936 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.900 0.831 -2.842 1.00 0.00 C ATOM 567 CD2 PHE A 42 0.492 2.968 -1.866 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.574 0.436 -1.702 1.00 0.00 C ATOM 569 CE2 PHE A 42 1.166 2.578 -0.723 1.00 0.00 C ATOM 570 CZ PHE A 42 1.708 1.311 -0.642 1.00 0.00 C ATOM 0 H PHE A 42 -0.479 0.519 -5.884 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.112 1.396 -3.583 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.309 2.513 -5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.718 3.556 -4.054 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.800 0.143 -3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.071 3.961 -1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.996 -0.556 -1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.268 3.264 0.105 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.236 1.005 0.249 1.00 0.00 H new ATOM 580 N ILE A 43 -3.223 3.399 -4.865 1.00 0.00 N ATOM 581 CA ILE A 43 -4.171 4.199 -5.631 1.00 0.00 C ATOM 582 C ILE A 43 -4.081 5.673 -5.249 1.00 0.00 C ATOM 583 O ILE A 43 -3.633 6.014 -4.155 1.00 0.00 O ATOM 584 CB ILE A 43 -5.617 3.713 -5.419 1.00 0.00 C ATOM 585 CG1 ILE A 43 -5.964 3.709 -3.929 1.00 0.00 C ATOM 586 CG2 ILE A 43 -5.801 2.325 -6.016 1.00 0.00 C ATOM 587 CD1 ILE A 43 -7.446 3.580 -3.655 1.00 0.00 C ATOM 0 H ILE A 43 -3.131 3.675 -3.887 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.907 4.082 -6.682 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.294 4.399 -5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.440 2.885 -3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.598 4.630 -3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.828 1.994 -5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.590 2.358 -7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.117 1.627 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.619 3.584 -2.579 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.974 4.417 -4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.814 2.645 -4.078 1.00 0.00 H new ATOM 599 N GLU A 44 -4.512 6.542 -6.158 1.00 0.00 N ATOM 600 CA GLU A 44 -4.481 7.979 -5.915 1.00 0.00 C ATOM 601 C GLU A 44 -5.750 8.646 -6.438 1.00 0.00 C ATOM 602 O GLU A 44 -6.196 8.370 -7.552 1.00 0.00 O ATOM 603 CB GLU A 44 -3.253 8.604 -6.579 1.00 0.00 C ATOM 604 CG GLU A 44 -3.201 10.118 -6.460 1.00 0.00 C ATOM 605 CD GLU A 44 -2.339 10.758 -7.531 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.136 10.429 -7.599 1.00 0.00 O ATOM 607 OE2 GLU A 44 -2.866 11.588 -8.300 1.00 0.00 O ATOM 0 H GLU A 44 -4.886 6.276 -7.069 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.424 8.139 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.354 8.182 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.242 8.330 -7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.213 10.519 -6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.814 10.388 -5.478 1.00 0.00 H new ATOM 614 N ARG A 45 -6.327 9.526 -5.625 1.00 0.00 N ATOM 615 CA ARG A 45 -7.545 10.232 -6.004 1.00 0.00 C ATOM 616 C ARG A 45 -7.225 11.635 -6.510 1.00 0.00 C ATOM 617 O ARG A 45 -6.497 12.388 -5.865 1.00 0.00 O ATOM 618 CB ARG A 45 -8.503 10.313 -4.814 1.00 0.00 C ATOM 619 CG ARG A 45 -9.139 8.981 -4.452 1.00 0.00 C ATOM 620 CD ARG A 45 -9.746 9.014 -3.058 1.00 0.00 C ATOM 621 NE ARG A 45 -10.824 8.040 -2.908 1.00 0.00 N ATOM 622 CZ ARG A 45 -12.058 8.234 -3.360 1.00 0.00 C ATOM 623 NH1 ARG A 45 -12.369 9.359 -3.988 1.00 0.00 N ATOM 624 NH2 ARG A 45 -12.984 7.300 -3.184 1.00 0.00 N ATOM 0 H ARG A 45 -5.970 9.767 -4.700 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.023 9.675 -6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.962 10.695 -3.948 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.290 11.032 -5.040 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.912 8.735 -5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.389 8.192 -4.505 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.970 8.812 -2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.129 10.014 -2.853 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.618 7.163 -2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.660 10.079 -4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.317 9.505 -4.334 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.748 6.433 -2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.931 7.449 -3.531 1.00 0.00 H new ATOM 638 N GLY A 46 -7.775 11.980 -7.671 1.00 0.00 N ATOM 639 CA GLY A 46 -7.536 13.292 -8.244 1.00 0.00 C ATOM 640 C GLY A 46 -8.640 14.278 -7.917 1.00 0.00 C ATOM 641 O GLY A 46 -9.706 13.907 -7.425 1.00 0.00 O ATOM 0 H GLY A 46 -8.381 11.375 -8.224 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.586 13.679 -7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.443 13.201 -9.326 1.00 0.00 H new ATOM 645 N PRO A 47 -8.388 15.566 -8.190 1.00 0.00 N ATOM 646 CA PRO A 47 -9.356 16.635 -7.928 1.00 0.00 C ATOM 647 C PRO A 47 -10.558 16.570 -8.864 1.00 0.00 C ATOM 648 O PRO A 47 -11.495 17.360 -8.742 1.00 0.00 O ATOM 649 CB PRO A 47 -8.551 17.913 -8.179 1.00 0.00 C ATOM 650 CG PRO A 47 -7.476 17.503 -9.124 1.00 0.00 C ATOM 651 CD PRO A 47 -7.138 16.079 -8.776 1.00 0.00 C ATOM 0 HA PRO A 47 -9.774 16.569 -6.923 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.176 18.697 -8.606 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.134 18.307 -7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.814 17.582 -10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.602 18.147 -9.024 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.843 15.509 -9.657 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.310 16.024 -8.069 1.00 0.00 H new ATOM 659 N ASP A 48 -10.526 15.625 -9.796 1.00 0.00 N ATOM 660 CA ASP A 48 -11.614 15.456 -10.752 1.00 0.00 C ATOM 661 C ASP A 48 -12.741 14.621 -10.151 1.00 0.00 C ATOM 662 O ASP A 48 -13.919 14.906 -10.364 1.00 0.00 O ATOM 663 CB ASP A 48 -11.100 14.794 -12.031 1.00 0.00 C ATOM 664 CG ASP A 48 -10.209 15.715 -12.842 1.00 0.00 C ATOM 665 OD1 ASP A 48 -10.697 16.778 -13.279 1.00 0.00 O ATOM 666 OD2 ASP A 48 -9.024 15.373 -13.039 1.00 0.00 O ATOM 0 H ASP A 48 -9.758 14.964 -9.910 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.007 16.443 -10.995 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.545 13.892 -11.772 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.948 14.483 -12.642 1.00 0.00 H new ATOM 671 N GLY A 49 -12.370 13.589 -9.400 1.00 0.00 N ATOM 672 CA GLY A 49 -13.361 12.728 -8.781 1.00 0.00 C ATOM 673 C GLY A 49 -13.016 11.258 -8.913 1.00 0.00 C ATOM 674 O GLY A 49 -13.402 10.444 -8.074 1.00 0.00 O ATOM 0 H GLY A 49 -11.401 13.334 -9.209 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.451 12.983 -7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.334 12.912 -9.237 1.00 0.00 H new ATOM 678 N LYS A 50 -12.289 10.916 -9.970 1.00 0.00 N ATOM 679 CA LYS A 50 -11.891 9.534 -10.211 1.00 0.00 C ATOM 680 C LYS A 50 -10.425 9.318 -9.849 1.00 0.00 C ATOM 681 O LYS A 50 -9.598 10.216 -10.008 1.00 0.00 O ATOM 682 CB LYS A 50 -12.126 9.162 -11.677 1.00 0.00 C ATOM 683 CG LYS A 50 -13.578 9.273 -12.108 1.00 0.00 C ATOM 684 CD LYS A 50 -13.878 8.372 -13.294 1.00 0.00 C ATOM 685 CE LYS A 50 -15.358 8.033 -13.377 1.00 0.00 C ATOM 686 NZ LYS A 50 -16.179 9.220 -13.743 1.00 0.00 N ATOM 0 H LYS A 50 -11.963 11.577 -10.675 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.501 8.891 -9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.518 9.809 -12.309 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.784 8.141 -11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.227 9.007 -11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.803 10.307 -12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.564 8.864 -14.215 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.298 7.453 -13.210 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.509 7.245 -14.115 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.695 7.640 -12.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.182 8.948 -13.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.055 9.963 -13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.875 9.580 -14.670 1.00 0.00 H new ATOM 700 N LEU A 51 -10.111 8.122 -9.364 1.00 0.00 N ATOM 701 CA LEU A 51 -8.743 7.788 -8.980 1.00 0.00 C ATOM 702 C LEU A 51 -8.081 6.909 -10.037 1.00 0.00 C ATOM 703 O LEU A 51 -8.693 5.974 -10.551 1.00 0.00 O ATOM 704 CB LEU A 51 -8.732 7.075 -7.627 1.00 0.00 C ATOM 705 CG LEU A 51 -9.775 5.972 -7.441 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.489 4.804 -8.371 1.00 0.00 C ATOM 707 CD2 LEU A 51 -9.807 5.508 -5.992 1.00 0.00 C ATOM 0 H LEU A 51 -10.784 7.368 -9.227 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.177 8.716 -8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.743 6.642 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.877 7.820 -6.845 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.755 6.378 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.242 4.029 -8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.518 5.147 -9.405 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.502 4.397 -8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.555 4.723 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.828 5.120 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.062 6.348 -5.346 1.00 0.00 H new ATOM 719 N GLN A 52 -6.827 7.217 -10.354 1.00 0.00 N ATOM 720 CA GLN A 52 -6.082 6.454 -11.348 1.00 0.00 C ATOM 721 C GLN A 52 -4.586 6.493 -11.055 1.00 0.00 C ATOM 722 O GLN A 52 -3.931 7.516 -11.255 1.00 0.00 O ATOM 723 CB GLN A 52 -6.354 7.001 -12.750 1.00 0.00 C ATOM 724 CG GLN A 52 -6.134 8.500 -12.871 1.00 0.00 C ATOM 725 CD GLN A 52 -6.642 9.060 -14.185 1.00 0.00 C ATOM 726 OE1 GLN A 52 -6.803 8.329 -15.164 1.00 0.00 O ATOM 727 NE2 GLN A 52 -6.898 10.362 -14.215 1.00 0.00 N ATOM 0 H GLN A 52 -6.307 7.989 -9.937 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.416 5.418 -11.299 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.708 6.489 -13.463 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.382 6.769 -13.028 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.637 9.005 -12.046 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.070 8.716 -12.775 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.750 10.930 -13.381 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.242 10.794 -15.072 1.00 0.00 H new ATOM 736 N TRP A 53 -4.052 5.374 -10.580 1.00 0.00 N ATOM 737 CA TRP A 53 -2.632 5.281 -10.259 1.00 0.00 C ATOM 738 C TRP A 53 -2.125 3.854 -10.437 1.00 0.00 C ATOM 739 O TRP A 53 -2.488 2.958 -9.675 1.00 0.00 O ATOM 740 CB TRP A 53 -2.381 5.749 -8.824 1.00 0.00 C ATOM 741 CG TRP A 53 -0.935 6.014 -8.530 1.00 0.00 C ATOM 742 CD1 TRP A 53 0.041 6.325 -9.433 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.303 5.989 -7.246 1.00 0.00 C ATOM 744 NE1 TRP A 53 1.242 6.496 -8.788 1.00 0.00 N ATOM 745 CE2 TRP A 53 1.057 6.296 -7.445 1.00 0.00 C ATOM 746 CE3 TRP A 53 -0.754 5.740 -5.947 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.968 6.358 -6.393 1.00 0.00 C ATOM 748 CZ3 TRP A 53 0.151 5.802 -4.904 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.499 6.109 -5.132 1.00 0.00 C ATOM 0 H TRP A 53 -4.580 4.518 -10.408 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.087 5.928 -10.946 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -2.954 6.658 -8.640 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.752 4.993 -8.133 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.109 6.422 -10.498 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.127 6.733 -9.236 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.791 5.503 -5.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.007 6.594 -6.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.187 5.611 -3.896 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.181 6.150 -4.296 1.00 0.00 H new ATOM 760 N GLU A 54 -1.286 3.650 -11.448 1.00 0.00 N ATOM 761 CA GLU A 54 -0.731 2.331 -11.725 1.00 0.00 C ATOM 762 C GLU A 54 0.727 2.250 -11.285 1.00 0.00 C ATOM 763 O GLU A 54 1.624 2.721 -11.984 1.00 0.00 O ATOM 764 CB GLU A 54 -0.843 2.009 -13.217 1.00 0.00 C ATOM 765 CG GLU A 54 -0.270 0.653 -13.592 1.00 0.00 C ATOM 766 CD GLU A 54 -0.445 0.332 -15.064 1.00 0.00 C ATOM 767 OE1 GLU A 54 -1.565 -0.052 -15.459 1.00 0.00 O ATOM 768 OE2 GLU A 54 0.540 0.466 -15.820 1.00 0.00 O ATOM 0 H GLU A 54 -0.976 4.381 -12.088 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.305 1.598 -11.158 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.892 2.044 -13.510 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.327 2.782 -13.787 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.791 0.630 -13.343 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.755 -0.120 -12.995 1.00 0.00 H new ATOM 775 N GLU A 55 0.956 1.651 -10.120 1.00 0.00 N ATOM 776 CA GLU A 55 2.305 1.510 -9.586 1.00 0.00 C ATOM 777 C GLU A 55 2.472 0.169 -8.877 1.00 0.00 C ATOM 778 O GLU A 55 1.505 -0.406 -8.379 1.00 0.00 O ATOM 779 CB GLU A 55 2.616 2.654 -8.617 1.00 0.00 C ATOM 780 CG GLU A 55 1.472 2.978 -7.672 1.00 0.00 C ATOM 781 CD GLU A 55 0.741 1.739 -7.193 1.00 0.00 C ATOM 782 OE1 GLU A 55 1.284 1.031 -6.319 1.00 0.00 O ATOM 783 OE2 GLU A 55 -0.373 1.476 -7.692 1.00 0.00 O ATOM 0 H GLU A 55 0.225 1.256 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 55 3.005 1.550 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.497 2.393 -8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.867 3.547 -9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.860 3.522 -6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.767 3.640 -8.175 1.00 0.00 H new ATOM 790 N GLU A 56 3.707 -0.322 -8.836 1.00 0.00 N ATOM 791 CA GLU A 56 4.001 -1.596 -8.190 1.00 0.00 C ATOM 792 C GLU A 56 4.818 -1.385 -6.919 1.00 0.00 C ATOM 793 O GLU A 56 5.595 -0.436 -6.818 1.00 0.00 O ATOM 794 CB GLU A 56 4.757 -2.517 -9.149 1.00 0.00 C ATOM 795 CG GLU A 56 5.333 -3.753 -8.478 1.00 0.00 C ATOM 796 CD GLU A 56 6.513 -3.433 -7.581 1.00 0.00 C ATOM 797 OE1 GLU A 56 7.061 -2.317 -7.696 1.00 0.00 O ATOM 798 OE2 GLU A 56 6.889 -4.300 -6.764 1.00 0.00 O ATOM 0 H GLU A 56 4.519 0.143 -9.242 1.00 0.00 H new ATOM 0 HA GLU A 56 3.055 -2.064 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.083 -2.828 -9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.567 -1.956 -9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.555 -4.238 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.645 -4.465 -9.242 1.00 0.00 H new ATOM 805 N ALA A 57 4.636 -2.277 -5.950 1.00 0.00 N ATOM 806 CA ALA A 57 5.357 -2.190 -4.686 1.00 0.00 C ATOM 807 C ALA A 57 6.130 -3.474 -4.406 1.00 0.00 C ATOM 808 O ALA A 57 5.571 -4.570 -4.447 1.00 0.00 O ATOM 809 CB ALA A 57 4.393 -1.894 -3.548 1.00 0.00 C ATOM 0 H ALA A 57 3.995 -3.068 -6.017 1.00 0.00 H new ATOM 0 HA ALA A 57 6.075 -1.373 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.945 -1.832 -2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.889 -0.946 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.653 -2.692 -3.481 1.00 0.00 H new ATOM 815 N THR A 58 7.422 -3.332 -4.123 1.00 0.00 N ATOM 816 CA THR A 58 8.272 -4.481 -3.838 1.00 0.00 C ATOM 817 C THR A 58 7.767 -5.252 -2.624 1.00 0.00 C ATOM 818 O THR A 58 7.506 -4.671 -1.571 1.00 0.00 O ATOM 819 CB THR A 58 9.730 -4.052 -3.588 1.00 0.00 C ATOM 820 OG1 THR A 58 10.222 -3.311 -4.711 1.00 0.00 O ATOM 821 CG2 THR A 58 10.617 -5.264 -3.347 1.00 0.00 C ATOM 0 H THR A 58 7.902 -2.433 -4.085 1.00 0.00 H new ATOM 0 HA THR A 58 8.235 -5.126 -4.716 1.00 0.00 H new ATOM 0 HB THR A 58 9.753 -3.422 -2.699 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.149 -3.040 -4.544 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.642 -4.936 -3.173 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.258 -5.810 -2.475 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.588 -5.916 -4.220 1.00 0.00 H new ATOM 829 N VAL A 59 7.631 -6.566 -2.778 1.00 0.00 N ATOM 830 CA VAL A 59 7.157 -7.417 -1.693 1.00 0.00 C ATOM 831 C VAL A 59 8.154 -8.531 -1.395 1.00 0.00 C ATOM 832 O VAL A 59 8.532 -9.295 -2.282 1.00 0.00 O ATOM 833 CB VAL A 59 5.790 -8.043 -2.026 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.357 -8.998 -0.925 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.746 -6.957 -2.243 1.00 0.00 C ATOM 0 H VAL A 59 7.842 -7.063 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 59 7.052 -6.781 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 59 5.886 -8.613 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.389 -9.430 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.094 -9.794 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.277 -8.455 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.786 -7.417 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.650 -6.358 -1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.053 -6.317 -3.070 1.00 0.00 H new ATOM 845 N ASN A 60 8.577 -8.618 -0.138 1.00 0.00 N ATOM 846 CA ASN A 60 9.531 -9.640 0.279 1.00 0.00 C ATOM 847 C ASN A 60 8.829 -10.971 0.529 1.00 0.00 C ATOM 848 O ASN A 60 8.109 -11.129 1.515 1.00 0.00 O ATOM 849 CB ASN A 60 10.268 -9.194 1.544 1.00 0.00 C ATOM 850 CG ASN A 60 11.437 -8.277 1.239 1.00 0.00 C ATOM 851 OD1 ASN A 60 11.417 -7.532 0.259 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.463 -8.328 2.081 1.00 0.00 N ATOM 0 H ASN A 60 8.274 -7.993 0.610 1.00 0.00 H new ATOM 0 HA ASN A 60 10.253 -9.776 -0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.570 -8.681 2.206 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.629 -10.072 2.080 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.278 -7.734 1.928 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.436 -8.961 2.880 1.00 0.00 H new ATOM 859 N ARG A 61 9.044 -11.925 -0.371 1.00 0.00 N ATOM 860 CA ARG A 61 8.431 -13.242 -0.249 1.00 0.00 C ATOM 861 C ARG A 61 8.997 -13.996 0.951 1.00 0.00 C ATOM 862 O ARG A 61 8.250 -14.535 1.769 1.00 0.00 O ATOM 863 CB ARG A 61 8.656 -14.053 -1.526 1.00 0.00 C ATOM 864 CG ARG A 61 7.857 -13.549 -2.716 1.00 0.00 C ATOM 865 CD ARG A 61 6.466 -14.163 -2.754 1.00 0.00 C ATOM 866 NE ARG A 61 6.453 -15.445 -3.452 1.00 0.00 N ATOM 867 CZ ARG A 61 6.296 -15.566 -4.766 1.00 0.00 C ATOM 868 NH1 ARG A 61 6.139 -14.486 -5.520 1.00 0.00 N ATOM 869 NH2 ARG A 61 6.295 -16.768 -5.328 1.00 0.00 N ATOM 0 H ARG A 61 9.638 -11.810 -1.192 1.00 0.00 H new ATOM 0 HA ARG A 61 7.360 -13.104 -0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.717 -14.033 -1.777 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.392 -15.094 -1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.775 -12.463 -2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.386 -13.788 -3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.103 -14.301 -1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.779 -13.475 -3.247 1.00 0.00 H new ATOM 0 HE ARG A 61 6.571 -16.295 -2.901 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.139 -13.560 -5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.019 -14.581 -6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.415 -17.601 -4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.174 -16.859 -6.337 1.00 0.00 H new ATOM 883 N LEU A 62 10.322 -14.031 1.050 1.00 0.00 N ATOM 884 CA LEU A 62 10.989 -14.719 2.150 1.00 0.00 C ATOM 885 C LEU A 62 10.507 -14.188 3.497 1.00 0.00 C ATOM 886 O LEU A 62 10.234 -14.959 4.416 1.00 0.00 O ATOM 887 CB LEU A 62 12.505 -14.553 2.036 1.00 0.00 C ATOM 888 CG LEU A 62 13.235 -15.608 1.204 1.00 0.00 C ATOM 889 CD1 LEU A 62 14.512 -15.031 0.612 1.00 0.00 C ATOM 890 CD2 LEU A 62 13.544 -16.834 2.051 1.00 0.00 C ATOM 0 H LEU A 62 10.955 -13.591 0.382 1.00 0.00 H new ATOM 0 HA LEU A 62 10.740 -15.778 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.712 -13.573 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.927 -14.556 3.041 1.00 0.00 H new ATOM 0 HG LEU A 62 12.584 -15.912 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.018 -15.796 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.266 -14.184 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.168 -14.699 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.064 -17.575 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.176 -16.546 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.614 -17.261 2.426 1.00 0.00 H new ATOM 902 N GLN A 63 10.404 -12.867 3.604 1.00 0.00 N ATOM 903 CA GLN A 63 9.954 -12.234 4.838 1.00 0.00 C ATOM 904 C GLN A 63 8.453 -12.425 5.031 1.00 0.00 C ATOM 905 O GLN A 63 7.994 -12.750 6.126 1.00 0.00 O ATOM 906 CB GLN A 63 10.293 -10.743 4.824 1.00 0.00 C ATOM 907 CG GLN A 63 11.785 -10.458 4.887 1.00 0.00 C ATOM 908 CD GLN A 63 12.368 -10.705 6.264 1.00 0.00 C ATOM 909 OE1 GLN A 63 11.637 -10.912 7.233 1.00 0.00 O ATOM 910 NE2 GLN A 63 13.693 -10.683 6.359 1.00 0.00 N ATOM 0 H GLN A 63 10.626 -12.215 2.852 1.00 0.00 H new ATOM 0 HA GLN A 63 10.472 -12.709 5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.884 -10.294 3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.803 -10.259 5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.302 -11.084 4.160 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.966 -9.422 4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.261 -10.508 5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.142 -10.841 7.261 1.00 0.00 H new ATOM 919 N SER A 64 7.693 -12.220 3.960 1.00 0.00 N ATOM 920 CA SER A 64 6.243 -12.365 4.013 1.00 0.00 C ATOM 921 C SER A 64 5.853 -13.726 4.581 1.00 0.00 C ATOM 922 O SER A 64 6.422 -14.752 4.209 1.00 0.00 O ATOM 923 CB SER A 64 5.640 -12.190 2.617 1.00 0.00 C ATOM 924 OG SER A 64 6.008 -13.261 1.766 1.00 0.00 O ATOM 0 H SER A 64 8.057 -11.953 3.045 1.00 0.00 H new ATOM 0 HA SER A 64 5.849 -11.590 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.554 -12.136 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.977 -11.247 2.187 1.00 0.00 H new ATOM 0 HG SER A 64 6.781 -13.730 2.145 1.00 0.00 H new ATOM 930 N ASN A 65 4.879 -13.726 5.485 1.00 0.00 N ATOM 931 CA ASN A 65 4.412 -14.961 6.106 1.00 0.00 C ATOM 932 C ASN A 65 2.905 -15.120 5.934 1.00 0.00 C ATOM 933 O ASN A 65 2.236 -14.240 5.393 1.00 0.00 O ATOM 934 CB ASN A 65 4.772 -14.975 7.593 1.00 0.00 C ATOM 935 CG ASN A 65 4.658 -16.360 8.201 1.00 0.00 C ATOM 936 OD1 ASN A 65 4.850 -17.367 7.520 1.00 0.00 O ATOM 937 ND2 ASN A 65 4.343 -16.415 9.490 1.00 0.00 N ATOM 0 H ASN A 65 4.398 -12.885 5.804 1.00 0.00 H new ATOM 0 HA ASN A 65 4.906 -15.797 5.611 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.790 -14.607 7.721 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.116 -14.290 8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.251 -17.318 9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.193 -15.554 10.015 1.00 0.00 H new ATOM 944 N GLU A 66 2.378 -16.249 6.399 1.00 0.00 N ATOM 945 CA GLU A 66 0.949 -16.523 6.296 1.00 0.00 C ATOM 946 C GLU A 66 0.136 -15.443 7.004 1.00 0.00 C ATOM 947 O GLU A 66 -1.051 -15.263 6.728 1.00 0.00 O ATOM 948 CB GLU A 66 0.626 -17.894 6.894 1.00 0.00 C ATOM 949 CG GLU A 66 -0.637 -18.522 6.329 1.00 0.00 C ATOM 950 CD GLU A 66 -0.929 -19.884 6.928 1.00 0.00 C ATOM 951 OE1 GLU A 66 -1.121 -19.962 8.160 1.00 0.00 O ATOM 952 OE2 GLU A 66 -0.968 -20.871 6.165 1.00 0.00 O ATOM 0 H GLU A 66 2.918 -16.987 6.850 1.00 0.00 H new ATOM 0 HA GLU A 66 0.680 -16.523 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.466 -18.565 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.520 -17.794 7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.482 -17.859 6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.538 -18.618 5.248 1.00 0.00 H new ATOM 959 N VAL A 67 0.782 -14.727 7.917 1.00 0.00 N ATOM 960 CA VAL A 67 0.120 -13.664 8.665 1.00 0.00 C ATOM 961 C VAL A 67 0.969 -12.398 8.689 1.00 0.00 C ATOM 962 O VAL A 67 0.869 -11.587 9.610 1.00 0.00 O ATOM 963 CB VAL A 67 -0.176 -14.097 10.113 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.127 -15.284 10.131 1.00 0.00 C ATOM 965 CG2 VAL A 67 1.116 -14.427 10.845 1.00 0.00 C ATOM 0 H VAL A 67 1.764 -14.863 8.157 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.821 -13.458 8.155 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.658 -13.268 10.631 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.325 -15.576 11.162 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.063 -15.007 9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.675 -16.120 9.597 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.888 -14.731 11.867 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.628 -15.240 10.330 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.759 -13.547 10.863 1.00 0.00 H new ATOM 975 N THR A 68 1.806 -12.233 7.668 1.00 0.00 N ATOM 976 CA THR A 68 2.673 -11.066 7.572 1.00 0.00 C ATOM 977 C THR A 68 2.956 -10.711 6.117 1.00 0.00 C ATOM 978 O THR A 68 3.294 -11.578 5.309 1.00 0.00 O ATOM 979 CB THR A 68 4.010 -11.298 8.301 1.00 0.00 C ATOM 980 OG1 THR A 68 3.769 -11.606 9.679 1.00 0.00 O ATOM 981 CG2 THR A 68 4.901 -10.069 8.200 1.00 0.00 C ATOM 0 H THR A 68 1.901 -12.893 6.897 1.00 0.00 H new ATOM 0 HA THR A 68 2.146 -10.240 8.050 1.00 0.00 H new ATOM 0 HB THR A 68 4.518 -12.136 7.825 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.624 -11.754 10.135 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.839 -10.256 8.722 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.106 -9.853 7.151 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.397 -9.216 8.654 1.00 0.00 H new ATOM 989 N LEU A 69 2.818 -9.431 5.787 1.00 0.00 N ATOM 990 CA LEU A 69 3.060 -8.960 4.428 1.00 0.00 C ATOM 991 C LEU A 69 4.058 -7.806 4.421 1.00 0.00 C ATOM 992 O LEU A 69 3.710 -6.668 4.737 1.00 0.00 O ATOM 993 CB LEU A 69 1.747 -8.519 3.779 1.00 0.00 C ATOM 994 CG LEU A 69 0.980 -9.598 3.015 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.252 -9.006 2.347 1.00 0.00 C ATOM 996 CD2 LEU A 69 1.879 -10.265 1.985 1.00 0.00 C ATOM 0 H LEU A 69 2.540 -8.701 6.443 1.00 0.00 H new ATOM 0 HA LEU A 69 3.483 -9.784 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.096 -8.121 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.961 -7.699 3.093 1.00 0.00 H new ATOM 0 HG LEU A 69 0.653 -10.356 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.785 -9.789 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.907 -8.577 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.052 -8.227 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.315 -11.030 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.237 -9.518 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.729 -10.725 2.488 1.00 0.00 H new ATOM 1008 N THR A 70 5.301 -8.107 4.057 1.00 0.00 N ATOM 1009 CA THR A 70 6.349 -7.096 4.007 1.00 0.00 C ATOM 1010 C THR A 70 6.523 -6.554 2.593 1.00 0.00 C ATOM 1011 O THR A 70 6.656 -7.318 1.636 1.00 0.00 O ATOM 1012 CB THR A 70 7.696 -7.658 4.499 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.528 -8.285 5.775 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.737 -6.554 4.604 1.00 0.00 C ATOM 0 H THR A 70 5.606 -9.044 3.792 1.00 0.00 H new ATOM 0 HA THR A 70 6.039 -6.286 4.668 1.00 0.00 H new ATOM 0 HB THR A 70 8.043 -8.395 3.775 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.388 -8.641 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.680 -6.975 4.953 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.884 -6.098 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.394 -5.797 5.309 1.00 0.00 H new ATOM 1022 N LEU A 71 6.522 -5.231 2.467 1.00 0.00 N ATOM 1023 CA LEU A 71 6.682 -4.586 1.169 1.00 0.00 C ATOM 1024 C LEU A 71 7.484 -3.295 1.297 1.00 0.00 C ATOM 1025 O LEU A 71 7.812 -2.862 2.402 1.00 0.00 O ATOM 1026 CB LEU A 71 5.313 -4.290 0.553 1.00 0.00 C ATOM 1027 CG LEU A 71 4.585 -3.060 1.095 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.645 -2.490 0.044 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.820 -3.409 2.363 1.00 0.00 C ATOM 0 H LEU A 71 6.412 -4.585 3.248 1.00 0.00 H new ATOM 0 HA LEU A 71 7.228 -5.268 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.440 -4.168 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.674 -5.160 0.702 1.00 0.00 H new ATOM 0 HG LEU A 71 5.328 -2.301 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.136 -1.615 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.217 -2.202 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.908 -3.244 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.308 -2.522 2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.087 -4.186 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.516 -3.770 3.120 1.00 0.00 H new ATOM 1041 N THR A 72 7.796 -2.683 0.159 1.00 0.00 N ATOM 1042 CA THR A 72 8.559 -1.441 0.143 1.00 0.00 C ATOM 1043 C THR A 72 7.715 -0.284 -0.380 1.00 0.00 C ATOM 1044 O THR A 72 7.433 -0.199 -1.576 1.00 0.00 O ATOM 1045 CB THR A 72 9.825 -1.571 -0.724 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.572 -2.727 -0.330 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.697 -0.331 -0.597 1.00 0.00 C ATOM 0 H THR A 72 7.532 -3.027 -0.764 1.00 0.00 H new ATOM 0 HA THR A 72 8.852 -1.237 1.173 1.00 0.00 H new ATOM 0 HB THR A 72 9.517 -1.675 -1.764 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.375 -2.803 -0.887 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.585 -0.446 -1.218 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.135 0.544 -0.925 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.996 -0.201 0.443 1.00 0.00 H new ATOM 1055 N VAL A 73 7.315 0.606 0.522 1.00 0.00 N ATOM 1056 CA VAL A 73 6.504 1.760 0.151 1.00 0.00 C ATOM 1057 C VAL A 73 6.985 2.370 -1.161 1.00 0.00 C ATOM 1058 O VAL A 73 8.112 2.853 -1.274 1.00 0.00 O ATOM 1059 CB VAL A 73 6.532 2.841 1.248 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.620 4.001 0.877 1.00 0.00 C ATOM 1061 CG2 VAL A 73 6.134 2.247 2.591 1.00 0.00 C ATOM 0 H VAL A 73 7.539 0.550 1.515 1.00 0.00 H new ATOM 0 HA VAL A 73 5.481 1.403 0.029 1.00 0.00 H new ATOM 0 HB VAL A 73 7.549 3.223 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.652 4.755 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.955 4.441 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.598 3.639 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.159 3.024 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.126 1.837 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.831 1.453 2.859 1.00 0.00 H new ATOM 1071 N PRO A 74 6.111 2.349 -2.178 1.00 0.00 N ATOM 1072 CA PRO A 74 6.423 2.897 -3.501 1.00 0.00 C ATOM 1073 C PRO A 74 6.523 4.418 -3.490 1.00 0.00 C ATOM 1074 O PRO A 74 5.982 5.078 -2.603 1.00 0.00 O ATOM 1075 CB PRO A 74 5.240 2.445 -4.361 1.00 0.00 C ATOM 1076 CG PRO A 74 4.120 2.260 -3.396 1.00 0.00 C ATOM 1077 CD PRO A 74 4.750 1.789 -2.115 1.00 0.00 C ATOM 0 HA PRO A 74 7.390 2.552 -3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.992 3.190 -5.117 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.465 1.518 -4.889 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.578 3.193 -3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.401 1.531 -3.768 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.206 2.152 -1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.766 0.701 -2.051 1.00 0.00 H new ATOM 1085 N GLU A 75 7.218 4.969 -4.480 1.00 0.00 N ATOM 1086 CA GLU A 75 7.388 6.414 -4.582 1.00 0.00 C ATOM 1087 C GLU A 75 6.137 7.069 -5.159 1.00 0.00 C ATOM 1088 O GLU A 75 5.631 6.656 -6.202 1.00 0.00 O ATOM 1089 CB GLU A 75 8.600 6.746 -5.455 1.00 0.00 C ATOM 1090 CG GLU A 75 9.899 6.865 -4.675 1.00 0.00 C ATOM 1091 CD GLU A 75 10.637 5.545 -4.567 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.541 4.732 -5.510 1.00 0.00 O ATOM 1093 OE2 GLU A 75 11.311 5.325 -3.538 1.00 0.00 O ATOM 0 H GLU A 75 7.672 4.437 -5.222 1.00 0.00 H new ATOM 0 HA GLU A 75 7.553 6.807 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.712 5.973 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.414 7.683 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.543 7.599 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.685 7.240 -3.674 1.00 0.00 H new ATOM 1100 N TYR A 76 5.643 8.093 -4.471 1.00 0.00 N ATOM 1101 CA TYR A 76 4.449 8.805 -4.913 1.00 0.00 C ATOM 1102 C TYR A 76 4.704 9.531 -6.230 1.00 0.00 C ATOM 1103 O TYR A 76 5.849 9.795 -6.595 1.00 0.00 O ATOM 1104 CB TYR A 76 4.002 9.804 -3.844 1.00 0.00 C ATOM 1105 CG TYR A 76 2.727 10.536 -4.196 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.579 9.840 -4.553 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.670 11.924 -4.173 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.411 10.504 -4.876 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.507 12.597 -4.493 1.00 0.00 C ATOM 1110 CZ TYR A 76 0.380 11.883 -4.844 1.00 0.00 C ATOM 1111 OH TYR A 76 -0.780 12.550 -5.165 1.00 0.00 O ATOM 0 H TYR A 76 6.050 8.448 -3.606 1.00 0.00 H new ATOM 0 HA TYR A 76 3.657 8.073 -5.071 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.859 9.275 -2.901 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.797 10.532 -3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.600 8.761 -4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.551 12.487 -3.900 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.472 9.947 -5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.480 13.676 -4.469 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.633 13.516 -5.092 1.00 0.00 H new ATOM 1121 N SER A 77 3.626 9.853 -6.938 1.00 0.00 N ATOM 1122 CA SER A 77 3.731 10.547 -8.217 1.00 0.00 C ATOM 1123 C SER A 77 4.092 12.014 -8.011 1.00 0.00 C ATOM 1124 O SER A 77 5.183 12.453 -8.373 1.00 0.00 O ATOM 1125 CB SER A 77 2.415 10.437 -8.989 1.00 0.00 C ATOM 1126 OG SER A 77 1.339 10.982 -8.245 1.00 0.00 O ATOM 0 H SER A 77 2.670 9.645 -6.648 1.00 0.00 H new ATOM 0 HA SER A 77 4.525 10.074 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.504 10.960 -9.941 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.210 9.391 -9.217 1.00 0.00 H new ATOM 0 HG SER A 77 0.567 10.380 -8.298 1.00 0.00 H new ATOM 1132 N ASN A 78 3.167 12.768 -7.426 1.00 0.00 N ATOM 1133 CA ASN A 78 3.387 14.188 -7.171 1.00 0.00 C ATOM 1134 C ASN A 78 4.162 14.394 -5.873 1.00 0.00 C ATOM 1135 O ASN A 78 3.573 14.521 -4.799 1.00 0.00 O ATOM 1136 CB ASN A 78 2.050 14.928 -7.103 1.00 0.00 C ATOM 1137 CG ASN A 78 1.606 15.446 -8.458 1.00 0.00 C ATOM 1138 OD1 ASN A 78 2.351 15.376 -9.436 1.00 0.00 O ATOM 1139 ND2 ASN A 78 0.387 15.969 -8.521 1.00 0.00 N ATOM 0 H ASN A 78 2.258 12.420 -7.120 1.00 0.00 H new ATOM 0 HA ASN A 78 3.977 14.592 -7.993 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.287 14.259 -6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.135 15.763 -6.408 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.033 16.333 -9.406 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.196 16.006 -7.685 1.00 0.00 H new ATOM 1146 N LYS A 79 5.486 14.427 -5.980 1.00 0.00 N ATOM 1147 CA LYS A 79 6.343 14.619 -4.816 1.00 0.00 C ATOM 1148 C LYS A 79 6.531 16.104 -4.519 1.00 0.00 C ATOM 1149 O LYS A 79 6.376 16.542 -3.379 1.00 0.00 O ATOM 1150 CB LYS A 79 7.704 13.958 -5.044 1.00 0.00 C ATOM 1151 CG LYS A 79 7.657 12.440 -5.001 1.00 0.00 C ATOM 1152 CD LYS A 79 7.874 11.916 -3.591 1.00 0.00 C ATOM 1153 CE LYS A 79 9.353 11.843 -3.245 1.00 0.00 C ATOM 1154 NZ LYS A 79 10.020 10.684 -3.902 1.00 0.00 N ATOM 0 H LYS A 79 5.989 14.323 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 79 5.859 14.152 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.095 14.274 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.403 14.313 -4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.693 12.094 -5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.421 12.032 -5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.364 12.564 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.428 10.926 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.844 12.766 -3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.470 11.764 -2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.983 10.578 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.477 9.818 -3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.066 10.846 -4.928 1.00 0.00 H new ATOM 1168 N ARG A 80 6.864 16.872 -5.551 1.00 0.00 N ATOM 1169 CA ARG A 80 7.073 18.307 -5.399 1.00 0.00 C ATOM 1170 C ARG A 80 6.082 18.897 -4.400 1.00 0.00 C ATOM 1171 O ARG A 80 6.455 19.694 -3.538 1.00 0.00 O ATOM 1172 CB ARG A 80 6.931 19.010 -6.750 1.00 0.00 C ATOM 1173 CG ARG A 80 8.094 18.754 -7.695 1.00 0.00 C ATOM 1174 CD ARG A 80 9.268 19.673 -7.396 1.00 0.00 C ATOM 1175 NE ARG A 80 10.275 19.637 -8.453 1.00 0.00 N ATOM 1176 CZ ARG A 80 11.449 20.252 -8.370 1.00 0.00 C ATOM 1177 NH1 ARG A 80 11.763 20.946 -7.285 1.00 0.00 N ATOM 1178 NH2 ARG A 80 12.313 20.172 -9.374 1.00 0.00 N ATOM 0 H ARG A 80 6.995 16.525 -6.501 1.00 0.00 H new ATOM 0 HA ARG A 80 8.083 18.464 -5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.008 18.680 -7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.838 20.083 -6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.413 17.715 -7.608 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.767 18.903 -8.724 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.907 20.694 -7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.725 19.381 -6.450 1.00 0.00 H new ATOM 0 HE ARG A 80 10.065 19.111 -9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.102 21.009 -6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.666 21.417 -7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.075 19.638 -10.210 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.215 20.645 -9.310 1.00 0.00 H new ATOM 1192 N VAL A 81 4.819 18.502 -4.522 1.00 0.00 N ATOM 1193 CA VAL A 81 3.775 18.992 -3.630 1.00 0.00 C ATOM 1194 C VAL A 81 4.320 19.232 -2.227 1.00 0.00 C ATOM 1195 O VAL A 81 4.953 18.357 -1.637 1.00 0.00 O ATOM 1196 CB VAL A 81 2.597 18.003 -3.550 1.00 0.00 C ATOM 1197 CG1 VAL A 81 1.933 17.851 -4.910 1.00 0.00 C ATOM 1198 CG2 VAL A 81 3.068 16.656 -3.024 1.00 0.00 C ATOM 0 H VAL A 81 4.494 17.844 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 81 3.420 19.936 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 81 1.858 18.401 -2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.103 17.148 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.559 18.819 -5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.660 17.476 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.223 15.969 -2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.827 16.249 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.492 16.783 -2.028 1.00 0.00 H new ATOM 1208 N SER A 82 4.068 20.425 -1.696 1.00 0.00 N ATOM 1209 CA SER A 82 4.536 20.782 -0.363 1.00 0.00 C ATOM 1210 C SER A 82 3.597 20.234 0.708 1.00 0.00 C ATOM 1211 O SER A 82 3.960 20.146 1.881 1.00 0.00 O ATOM 1212 CB SER A 82 4.649 22.302 -0.229 1.00 0.00 C ATOM 1213 OG SER A 82 3.435 22.937 -0.592 1.00 0.00 O ATOM 0 H SER A 82 3.542 21.160 -2.169 1.00 0.00 H new ATOM 0 HA SER A 82 5.521 20.337 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.906 22.562 0.798 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.458 22.667 -0.862 1.00 0.00 H new ATOM 0 HG SER A 82 3.532 23.907 -0.496 1.00 0.00 H new ATOM 1219 N ARG A 83 2.389 19.867 0.294 1.00 0.00 N ATOM 1220 CA ARG A 83 1.396 19.329 1.216 1.00 0.00 C ATOM 1221 C ARG A 83 1.267 17.817 1.054 1.00 0.00 C ATOM 1222 O ARG A 83 1.545 17.256 -0.006 1.00 0.00 O ATOM 1223 CB ARG A 83 0.039 19.996 0.984 1.00 0.00 C ATOM 1224 CG ARG A 83 0.023 21.478 1.318 1.00 0.00 C ATOM 1225 CD ARG A 83 0.392 22.325 0.110 1.00 0.00 C ATOM 1226 NE ARG A 83 -0.753 22.560 -0.765 1.00 0.00 N ATOM 1227 CZ ARG A 83 -1.668 23.497 -0.542 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -1.571 24.284 0.521 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -2.682 23.650 -1.384 1.00 0.00 N ATOM 0 H ARG A 83 2.074 19.932 -0.674 1.00 0.00 H new ATOM 0 HA ARG A 83 1.728 19.541 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.247 19.864 -0.060 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.714 19.488 1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.968 21.761 1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.722 21.677 2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.793 23.281 0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.182 21.828 -0.453 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.856 21.973 -1.593 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.792 24.171 1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.275 25.003 0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.760 23.048 -2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.384 24.370 -1.212 1.00 0.00 H new ATOM 1243 N PRO A 84 0.836 17.142 2.129 1.00 0.00 N ATOM 1244 CA PRO A 84 0.660 15.686 2.131 1.00 0.00 C ATOM 1245 C PRO A 84 -0.511 15.242 1.261 1.00 0.00 C ATOM 1246 O PRO A 84 -1.304 16.065 0.803 1.00 0.00 O ATOM 1247 CB PRO A 84 0.385 15.364 3.602 1.00 0.00 C ATOM 1248 CG PRO A 84 -0.183 16.621 4.165 1.00 0.00 C ATOM 1249 CD PRO A 84 0.486 17.746 3.426 1.00 0.00 C ATOM 0 HA PRO A 84 1.529 15.170 1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.315 14.534 3.702 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.299 15.075 4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.264 16.655 4.031 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.008 16.690 5.236 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.181 18.600 3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.370 18.104 3.954 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.615 13.936 1.037 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.690 13.383 0.223 1.00 0.00 C ATOM 1259 C VAL A 85 -2.278 12.132 0.866 1.00 0.00 C ATOM 1260 O VAL A 85 -1.550 11.300 1.406 1.00 0.00 O ATOM 1261 CB VAL A 85 -1.199 13.036 -1.195 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -2.340 12.480 -2.034 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.584 14.258 -1.859 1.00 0.00 C ATOM 0 H VAL A 85 0.033 13.241 1.408 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.462 14.150 0.154 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.430 12.268 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.974 12.241 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.731 11.577 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.134 13.223 -2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.242 13.995 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.330 15.050 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.262 14.607 -1.267 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.600 12.006 0.802 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.285 10.856 1.379 1.00 0.00 C ATOM 1275 C GLN A 86 -4.536 9.785 0.322 1.00 0.00 C ATOM 1276 O GLN A 86 -5.291 9.999 -0.627 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.611 11.288 2.008 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.490 10.124 2.436 1.00 0.00 C ATOM 1279 CD GLN A 86 -6.180 9.644 3.840 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -5.881 8.357 3.974 1.00 0.00 O flip ATOM 1281 NE2 GLN A 86 -6.209 10.422 4.795 1.00 0.00 N flip ATOM 0 H GLN A 86 -4.217 12.685 0.357 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.644 10.434 2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.405 11.915 2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.159 11.903 1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.536 10.425 2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.359 9.298 1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.444 11.403 4.646 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.998 10.085 5.734 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.897 8.632 0.492 1.00 0.00 N ATOM 1291 CA VAL A 87 -4.051 7.527 -0.447 1.00 0.00 C ATOM 1292 C VAL A 87 -4.433 6.241 0.276 1.00 0.00 C ATOM 1293 O VAL A 87 -4.521 6.209 1.503 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.758 7.288 -1.249 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -2.364 8.542 -2.015 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.634 6.842 -0.326 1.00 0.00 C ATOM 0 H VAL A 87 -3.268 8.439 1.271 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.850 7.805 -1.135 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.941 6.493 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.448 8.353 -2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.163 8.813 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.198 9.360 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.728 6.678 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.449 7.613 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.918 5.915 0.172 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.659 5.181 -0.494 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.034 3.891 0.073 1.00 0.00 C ATOM 1308 C TYR A 88 -4.403 2.747 -0.713 1.00 0.00 C ATOM 1309 O TYR A 88 -3.857 2.950 -1.798 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.556 3.739 0.085 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.285 4.970 0.576 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.191 6.176 -0.108 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.068 4.926 1.723 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -7.854 7.303 0.338 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.735 6.048 2.175 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.625 7.234 1.479 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.288 8.354 1.926 1.00 0.00 O ATOM 0 H TYR A 88 -4.589 5.190 -1.512 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.664 3.851 1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.897 3.503 -0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.823 2.893 0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.590 6.233 -1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.157 3.999 2.270 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.769 8.233 -0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.339 5.997 3.069 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.787 8.136 2.741 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.483 1.542 -0.158 1.00 0.00 N ATOM 1328 CA PHE A 89 -3.920 0.363 -0.806 1.00 0.00 C ATOM 1329 C PHE A 89 -4.728 -0.885 -0.462 1.00 0.00 C ATOM 1330 O PHE A 89 -5.402 -0.937 0.567 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.461 0.171 -0.385 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.250 0.250 1.100 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.016 1.468 1.716 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -2.287 -0.895 1.879 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -1.822 1.544 3.083 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -2.094 -0.825 3.246 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.860 0.395 3.848 1.00 0.00 C ATOM 0 H PHE A 89 -4.932 1.356 0.739 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.963 0.517 -1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.113 -0.798 -0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.848 0.929 -0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.985 2.369 1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.469 -1.852 1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.641 2.500 3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.126 -1.725 3.843 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.707 0.451 4.916 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.656 -1.887 -1.331 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.383 -3.133 -1.122 1.00 0.00 C ATOM 1349 C TYR A 90 -4.597 -4.321 -1.671 1.00 0.00 C ATOM 1350 O TYR A 90 -3.728 -4.162 -2.529 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.757 -3.065 -1.790 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.694 -2.913 -3.293 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.229 -3.947 -4.096 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -7.099 -1.735 -3.909 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.168 -3.812 -5.470 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -7.043 -1.592 -5.282 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.577 -2.633 -6.058 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.519 -2.494 -7.426 1.00 0.00 O ATOM 0 H TYR A 90 -4.102 -1.861 -2.187 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.515 -3.271 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.314 -3.970 -1.548 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.314 -2.226 -1.372 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.910 -4.872 -3.639 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.464 -0.918 -3.304 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.802 -4.625 -6.080 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.362 -0.670 -5.745 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.844 -1.605 -7.679 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.911 -5.512 -1.171 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.237 -6.727 -1.611 1.00 0.00 C ATOM 1370 C VAL A 91 -5.105 -7.514 -2.586 1.00 0.00 C ATOM 1371 O VAL A 91 -6.330 -7.397 -2.576 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.874 -7.632 -0.418 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -3.345 -8.972 -0.906 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -2.860 -6.944 0.482 1.00 0.00 C ATOM 0 H VAL A 91 -5.628 -5.661 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.321 -6.416 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.777 -7.816 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.094 -9.598 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.108 -9.468 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.453 -8.812 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.615 -7.597 1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.956 -6.728 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.282 -6.012 0.860 1.00 0.00 H new ATOM 1384 N SER A 92 -4.462 -8.317 -3.428 1.00 0.00 N ATOM 1385 CA SER A 92 -5.175 -9.122 -4.413 1.00 0.00 C ATOM 1386 C SER A 92 -4.898 -10.608 -4.203 1.00 0.00 C ATOM 1387 O SER A 92 -3.768 -11.068 -4.362 1.00 0.00 O ATOM 1388 CB SER A 92 -4.769 -8.711 -5.829 1.00 0.00 C ATOM 1389 OG SER A 92 -5.312 -9.598 -6.793 1.00 0.00 O ATOM 0 H SER A 92 -3.448 -8.427 -3.448 1.00 0.00 H new ATOM 0 HA SER A 92 -6.243 -8.947 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.113 -7.696 -6.029 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.682 -8.701 -5.911 1.00 0.00 H new ATOM 0 HG SER A 92 -5.039 -9.313 -7.690 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.939 -11.353 -3.845 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.809 -12.787 -3.612 1.00 0.00 C ATOM 1397 C ASN A 93 -6.855 -13.563 -4.405 1.00 0.00 C ATOM 1398 O ASN A 93 -8.019 -13.635 -4.013 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.949 -13.097 -2.121 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.819 -12.508 -1.299 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -3.988 -11.758 -1.812 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.784 -12.844 -0.014 1.00 0.00 N ATOM 0 H ASN A 93 -6.882 -10.988 -3.710 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.820 -13.097 -3.949 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.900 -12.706 -1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.974 -14.177 -1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.048 -12.477 0.589 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.493 -13.469 0.369 1.00 0.00 H new ATOM 1409 N GLY A 94 -6.432 -14.144 -5.524 1.00 0.00 N ATOM 1410 CA GLY A 94 -7.344 -14.909 -6.354 1.00 0.00 C ATOM 1411 C GLY A 94 -7.706 -14.185 -7.636 1.00 0.00 C ATOM 1412 O GLY A 94 -6.858 -13.542 -8.254 1.00 0.00 O ATOM 0 H GLY A 94 -5.474 -14.098 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.890 -15.869 -6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.253 -15.121 -5.791 1.00 0.00 H new ATOM 1416 N ARG A 95 -8.969 -14.290 -8.036 1.00 0.00 N ATOM 1417 CA ARG A 95 -9.440 -13.642 -9.255 1.00 0.00 C ATOM 1418 C ARG A 95 -10.550 -12.642 -8.944 1.00 0.00 C ATOM 1419 O ARG A 95 -10.468 -11.473 -9.319 1.00 0.00 O ATOM 1420 CB ARG A 95 -9.945 -14.688 -10.251 1.00 0.00 C ATOM 1421 CG ARG A 95 -11.123 -15.499 -9.738 1.00 0.00 C ATOM 1422 CD ARG A 95 -11.389 -16.712 -10.616 1.00 0.00 C ATOM 1423 NE ARG A 95 -10.419 -17.778 -10.385 1.00 0.00 N ATOM 1424 CZ ARG A 95 -10.394 -18.912 -11.077 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -11.282 -19.125 -12.039 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -9.480 -19.835 -10.808 1.00 0.00 N ATOM 0 H ARG A 95 -9.684 -14.817 -7.535 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.602 -13.103 -9.698 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.234 -14.187 -11.175 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.128 -15.366 -10.498 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.925 -15.824 -8.717 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -12.013 -14.870 -9.705 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.394 -17.087 -10.421 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.358 -16.415 -11.664 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.722 -17.645 -9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.986 -18.417 -12.249 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.261 -19.996 -12.569 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.795 -19.675 -10.069 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.462 -20.705 -11.340 1.00 0.00 H new ATOM 1440 N ARG A 96 -11.587 -13.111 -8.257 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.714 -12.259 -7.898 1.00 0.00 C ATOM 1442 C ARG A 96 -12.747 -12.007 -6.393 1.00 0.00 C ATOM 1443 O ARG A 96 -13.815 -11.971 -5.782 1.00 0.00 O ATOM 1444 CB ARG A 96 -14.029 -12.899 -8.347 1.00 0.00 C ATOM 1445 CG ARG A 96 -15.164 -11.903 -8.519 1.00 0.00 C ATOM 1446 CD ARG A 96 -16.493 -12.606 -8.743 1.00 0.00 C ATOM 1447 NE ARG A 96 -17.609 -11.665 -8.792 1.00 0.00 N ATOM 1448 CZ ARG A 96 -18.881 -12.027 -8.668 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -19.197 -13.302 -8.488 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -19.840 -11.112 -8.723 1.00 0.00 N ATOM 0 H ARG A 96 -11.670 -14.076 -7.938 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.591 -11.303 -8.407 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.867 -13.418 -9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -14.325 -13.652 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -15.231 -11.270 -7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -14.950 -11.249 -9.364 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -16.453 -13.169 -9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -16.661 -13.327 -7.943 1.00 0.00 H new ATOM 0 HE ARG A 96 -17.400 -10.676 -8.929 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -18.462 -14.008 -8.444 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -20.175 -13.577 -8.393 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -19.601 -10.130 -8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -20.817 -11.390 -8.628 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.570 -11.834 -5.801 1.00 0.00 N ATOM 1465 CA LYS A 97 -11.462 -11.584 -4.369 1.00 0.00 C ATOM 1466 C LYS A 97 -10.392 -10.537 -4.078 1.00 0.00 C ATOM 1467 O LYS A 97 -9.295 -10.585 -4.635 1.00 0.00 O ATOM 1468 CB LYS A 97 -11.135 -12.883 -3.628 1.00 0.00 C ATOM 1469 CG LYS A 97 -12.163 -13.981 -3.842 1.00 0.00 C ATOM 1470 CD LYS A 97 -13.291 -13.895 -2.827 1.00 0.00 C ATOM 1471 CE LYS A 97 -14.441 -14.820 -3.193 1.00 0.00 C ATOM 1472 NZ LYS A 97 -15.175 -14.343 -4.398 1.00 0.00 N ATOM 0 H LYS A 97 -10.676 -11.862 -6.292 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.421 -11.204 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.159 -13.242 -3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -11.057 -12.673 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.572 -13.906 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.678 -14.954 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.913 -14.156 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.653 -12.868 -2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.056 -15.823 -3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.131 -14.892 -2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -16.147 -14.084 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.691 -13.512 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.201 -15.100 -5.111 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.717 -9.593 -3.201 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.784 -8.535 -2.836 1.00 0.00 C ATOM 1488 C ARG A 98 -10.031 -8.060 -1.407 1.00 0.00 C ATOM 1489 O ARG A 98 -10.954 -8.526 -0.738 1.00 0.00 O ATOM 1490 CB ARG A 98 -9.910 -7.357 -3.805 1.00 0.00 C ATOM 1491 CG ARG A 98 -9.027 -7.484 -5.035 1.00 0.00 C ATOM 1492 CD ARG A 98 -8.884 -6.153 -5.757 1.00 0.00 C ATOM 1493 NE ARG A 98 -10.102 -5.785 -6.473 1.00 0.00 N ATOM 1494 CZ ARG A 98 -11.082 -5.066 -5.936 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -10.986 -4.640 -4.684 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -12.159 -4.772 -6.652 1.00 0.00 N ATOM 0 H ARG A 98 -11.620 -9.540 -2.730 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.774 -8.940 -2.896 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.949 -7.267 -4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.656 -6.436 -3.279 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.042 -7.848 -4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.451 -8.224 -5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.638 -5.374 -5.035 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.053 -6.210 -6.460 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.206 -6.097 -7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.159 -4.864 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.739 -4.088 -4.274 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.235 -5.098 -7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.911 -4.220 -6.239 1.00 0.00 H new ATOM 1510 N SER A 99 -9.200 -7.131 -0.945 1.00 0.00 N ATOM 1511 CA SER A 99 -9.326 -6.597 0.406 1.00 0.00 C ATOM 1512 C SER A 99 -9.755 -5.133 0.373 1.00 0.00 C ATOM 1513 O SER A 99 -9.497 -4.405 -0.586 1.00 0.00 O ATOM 1514 CB SER A 99 -8.000 -6.735 1.157 1.00 0.00 C ATOM 1515 OG SER A 99 -7.011 -5.881 0.607 1.00 0.00 O ATOM 0 H SER A 99 -8.433 -6.733 -1.486 1.00 0.00 H new ATOM 0 HA SER A 99 -10.092 -7.171 0.928 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.148 -6.495 2.210 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.658 -7.769 1.111 1.00 0.00 H new ATOM 0 HG SER A 99 -6.276 -5.777 1.247 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.427 -4.690 1.447 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.906 -3.310 1.567 1.00 0.00 C ATOM 1523 C PRO A 100 -9.766 -2.314 1.747 1.00 0.00 C ATOM 1524 O PRO A 100 -9.003 -2.394 2.711 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.786 -3.348 2.818 1.00 0.00 C ATOM 1526 CG PRO A 100 -11.255 -4.485 3.621 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.769 -5.503 2.626 1.00 0.00 C ATOM 0 HA PRO A 100 -11.431 -2.981 0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.727 -2.411 3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.834 -3.501 2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.444 -4.158 4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.030 -4.905 4.263 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.905 -6.051 3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.538 -6.240 2.397 1.00 0.00 H new ATOM 1535 N THR A 101 -9.654 -1.374 0.814 1.00 0.00 N ATOM 1536 CA THR A 101 -8.607 -0.362 0.870 1.00 0.00 C ATOM 1537 C THR A 101 -8.443 0.183 2.284 1.00 0.00 C ATOM 1538 O THR A 101 -9.369 0.122 3.092 1.00 0.00 O ATOM 1539 CB THR A 101 -8.904 0.808 -0.088 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.242 1.278 0.114 1.00 0.00 O ATOM 1541 CG2 THR A 101 -8.724 0.381 -1.536 1.00 0.00 C ATOM 0 H THR A 101 -10.276 -1.293 0.010 1.00 0.00 H new ATOM 0 HA THR A 101 -7.681 -0.848 0.562 1.00 0.00 H new ATOM 0 HB THR A 101 -8.200 1.612 0.126 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.423 2.023 -0.497 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.939 1.224 -2.193 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.697 0.051 -1.693 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.407 -0.438 -1.761 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.260 0.714 2.575 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.976 1.269 3.893 1.00 0.00 C ATOM 1551 C GLN A 102 -6.640 2.754 3.797 1.00 0.00 C ATOM 1552 O GLN A 102 -6.098 3.214 2.792 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.820 0.513 4.550 1.00 0.00 C ATOM 1554 CG GLN A 102 -6.158 -0.926 4.904 1.00 0.00 C ATOM 1555 CD GLN A 102 -7.378 -1.038 5.796 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -7.346 -0.647 6.963 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -8.464 -1.572 5.250 1.00 0.00 N ATOM 0 H GLN A 102 -6.483 0.772 1.916 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.869 1.156 4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.962 0.521 3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.520 1.040 5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.330 -1.490 3.988 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.304 -1.383 5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.446 -1.883 4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.316 -1.671 5.802 1.00 0.00 H new ATOM 1566 N SER A 103 -6.964 3.498 4.850 1.00 0.00 N ATOM 1567 CA SER A 103 -6.700 4.932 4.882 1.00 0.00 C ATOM 1568 C SER A 103 -5.221 5.206 5.138 1.00 0.00 C ATOM 1569 O SER A 103 -4.687 4.858 6.192 1.00 0.00 O ATOM 1570 CB SER A 103 -7.549 5.604 5.963 1.00 0.00 C ATOM 1571 OG SER A 103 -7.269 5.063 7.242 1.00 0.00 O ATOM 0 H SER A 103 -7.409 3.132 5.691 1.00 0.00 H new ATOM 0 HA SER A 103 -6.966 5.348 3.910 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.354 6.676 5.968 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.606 5.473 5.733 1.00 0.00 H new ATOM 0 HG SER A 103 -6.320 4.822 7.295 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.565 5.832 4.167 1.00 0.00 N ATOM 1578 CA PHE A 104 -3.147 6.153 4.285 1.00 0.00 C ATOM 1579 C PHE A 104 -2.866 7.566 3.784 1.00 0.00 C ATOM 1580 O PHE A 104 -3.628 8.118 2.990 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.307 5.144 3.499 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.883 5.057 3.966 1.00 0.00 C ATOM 1583 CD1 PHE A 104 0.083 5.907 3.450 1.00 0.00 C ATOM 1584 CD2 PHE A 104 -0.508 4.125 4.920 1.00 0.00 C ATOM 1585 CE1 PHE A 104 1.395 5.829 3.878 1.00 0.00 C ATOM 1586 CE2 PHE A 104 0.802 4.043 5.352 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.755 4.896 4.830 1.00 0.00 C ATOM 0 H PHE A 104 -4.992 6.127 3.289 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.874 6.099 5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.768 4.159 3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.319 5.417 2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -0.193 6.639 2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.248 3.455 5.331 1.00 0.00 H new ATOM 0 HE1 PHE A 104 2.138 6.497 3.468 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.081 3.313 6.097 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.780 4.833 5.166 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.767 8.146 4.255 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.385 9.496 3.857 1.00 0.00 C ATOM 1599 C ARG A 105 0.133 9.636 3.799 1.00 0.00 C ATOM 1600 O ARG A 105 0.853 9.056 4.612 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.966 10.522 4.832 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.595 11.957 4.499 1.00 0.00 C ATOM 1603 CD ARG A 105 -2.074 12.921 5.573 1.00 0.00 C ATOM 1604 NE ARG A 105 -1.781 12.431 6.917 1.00 0.00 N ATOM 1605 CZ ARG A 105 -2.576 11.604 7.588 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -3.706 11.177 7.041 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -2.241 11.203 8.807 1.00 0.00 N ATOM 0 H ARG A 105 -1.125 7.703 4.912 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.788 9.682 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.052 10.429 4.840 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.619 10.290 5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.513 12.039 4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -2.032 12.233 3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.598 13.891 5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -3.148 13.075 5.469 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.919 12.740 7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.966 11.483 6.104 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.315 10.542 7.558 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -1.372 11.529 9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.852 10.568 9.321 1.00 0.00 H new ATOM 1621 N PHE A 106 0.614 10.410 2.831 1.00 0.00 N ATOM 1622 CA PHE A 106 2.046 10.626 2.665 1.00 0.00 C ATOM 1623 C PHE A 106 2.439 12.034 3.102 1.00 0.00 C ATOM 1624 O PHE A 106 1.791 13.014 2.732 1.00 0.00 O ATOM 1625 CB PHE A 106 2.452 10.400 1.207 1.00 0.00 C ATOM 1626 CG PHE A 106 2.154 9.015 0.709 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.499 7.904 1.462 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.529 8.823 -0.512 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.226 6.628 1.007 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.252 7.549 -0.972 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.602 6.450 -0.212 1.00 0.00 C ATOM 0 H PHE A 106 0.032 10.898 2.150 1.00 0.00 H new ATOM 0 HA PHE A 106 2.571 9.909 3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.933 11.123 0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.519 10.593 1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 106 2.987 8.037 2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.255 9.678 -1.112 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.500 5.771 1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.762 7.413 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.388 5.454 -0.570 1.00 0.00 H new ATOM 1641 N LEU A 107 3.503 12.127 3.891 1.00 0.00 N ATOM 1642 CA LEU A 107 3.983 13.415 4.380 1.00 0.00 C ATOM 1643 C LEU A 107 5.125 13.935 3.513 1.00 0.00 C ATOM 1644 O LEU A 107 5.983 13.180 3.056 1.00 0.00 O ATOM 1645 CB LEU A 107 4.445 13.292 5.833 1.00 0.00 C ATOM 1646 CG LEU A 107 3.469 12.610 6.792 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.173 12.217 8.081 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.285 13.521 7.085 1.00 0.00 C ATOM 0 H LEU A 107 4.050 11.326 4.206 1.00 0.00 H new ATOM 0 HA LEU A 107 3.158 14.126 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.385 12.740 5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.657 14.292 6.212 1.00 0.00 H new ATOM 0 HG LEU A 107 3.096 11.703 6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.462 11.733 8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.987 11.527 7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.576 13.108 8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.601 13.019 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.641 14.445 7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.765 13.752 6.155 1.00 0.00 H new ATOM 1660 N PRO A 108 5.140 15.256 3.283 1.00 0.00 N ATOM 1661 CA PRO A 108 6.173 15.907 2.473 1.00 0.00 C ATOM 1662 C PRO A 108 7.533 15.914 3.163 1.00 0.00 C ATOM 1663 O PRO A 108 7.629 16.161 4.365 1.00 0.00 O ATOM 1664 CB PRO A 108 5.649 17.336 2.311 1.00 0.00 C ATOM 1665 CG PRO A 108 4.768 17.553 3.492 1.00 0.00 C ATOM 1666 CD PRO A 108 4.149 16.217 3.797 1.00 0.00 C ATOM 0 HA PRO A 108 6.336 15.388 1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.466 18.057 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.097 17.452 1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.340 17.922 4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.002 18.298 3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.980 16.087 4.866 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.183 16.100 3.305 1.00 0.00 H new ATOM 1674 N VAL A 109 8.583 15.641 2.395 1.00 0.00 N ATOM 1675 CA VAL A 109 9.938 15.616 2.932 1.00 0.00 C ATOM 1676 C VAL A 109 10.525 17.021 3.005 1.00 0.00 C ATOM 1677 O VAL A 109 11.324 17.326 3.891 1.00 0.00 O ATOM 1678 CB VAL A 109 10.864 14.728 2.081 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.273 14.722 2.653 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.310 13.314 1.991 1.00 0.00 C ATOM 0 H VAL A 109 8.521 15.434 1.398 1.00 0.00 H new ATOM 0 HA VAL A 109 9.872 15.199 3.937 1.00 0.00 H new ATOM 0 HB VAL A 109 10.909 15.141 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 109 12.913 14.089 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.667 15.738 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.251 14.334 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.977 12.700 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.233 12.889 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.322 13.339 1.531 1.00 0.00 H new ATOM 1690 N ILE A 110 10.125 17.873 2.067 1.00 0.00 N ATOM 1691 CA ILE A 110 10.610 19.247 2.026 1.00 0.00 C ATOM 1692 C ILE A 110 10.850 19.788 3.432 1.00 0.00 C ATOM 1693 O ILE A 110 9.957 19.759 4.279 1.00 0.00 O ATOM 1694 CB ILE A 110 9.621 20.172 1.294 1.00 0.00 C ATOM 1695 CG1 ILE A 110 9.429 19.708 -0.151 1.00 0.00 C ATOM 1696 CG2 ILE A 110 10.113 21.611 1.333 1.00 0.00 C ATOM 1697 CD1 ILE A 110 8.115 20.149 -0.758 1.00 0.00 C ATOM 0 H ILE A 110 9.466 17.636 1.325 1.00 0.00 H new ATOM 0 HA ILE A 110 11.553 19.232 1.479 1.00 0.00 H new ATOM 0 HB ILE A 110 8.658 20.124 1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.248 20.092 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.489 18.620 -0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.403 22.253 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.203 21.937 2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 110 11.086 21.676 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.047 19.785 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.290 19.743 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 110 8.060 21.238 -0.756 1.00 0.00 H new ATOM 1709 N CYS A 111 12.059 20.282 3.671 1.00 0.00 N ATOM 1710 CA CYS A 111 12.417 20.831 4.974 1.00 0.00 C ATOM 1711 C CYS A 111 11.297 21.712 5.518 1.00 0.00 C ATOM 1712 O CYS A 111 10.703 22.503 4.786 1.00 0.00 O ATOM 1713 CB CYS A 111 13.713 21.636 4.874 1.00 0.00 C ATOM 1714 SG CYS A 111 14.464 22.029 6.471 1.00 0.00 S ATOM 0 H CYS A 111 12.808 20.314 2.980 1.00 0.00 H new ATOM 0 HA CYS A 111 12.568 19.999 5.662 1.00 0.00 H new ATOM 0 HB2 CYS A 111 14.431 21.075 4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 111 13.511 22.565 4.341 1.00 0.00 H new ATOM 0 HG CYS A 111 15.556 22.709 6.282 1.00 0.00 H new ATOM 1720 N LYS A 112 11.013 21.570 6.808 1.00 0.00 N ATOM 1721 CA LYS A 112 9.964 22.352 7.452 1.00 0.00 C ATOM 1722 C LYS A 112 10.563 23.426 8.355 1.00 0.00 C ATOM 1723 O LYS A 112 11.726 23.341 8.747 1.00 0.00 O ATOM 1724 CB LYS A 112 9.046 21.439 8.268 1.00 0.00 C ATOM 1725 CG LYS A 112 9.692 20.901 9.533 1.00 0.00 C ATOM 1726 CD LYS A 112 10.328 19.540 9.300 1.00 0.00 C ATOM 1727 CE LYS A 112 9.316 18.417 9.467 1.00 0.00 C ATOM 1728 NZ LYS A 112 9.062 18.109 10.902 1.00 0.00 N ATOM 0 H LYS A 112 11.495 20.920 7.429 1.00 0.00 H new ATOM 0 HA LYS A 112 9.380 22.841 6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.145 21.990 8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.734 20.601 7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.450 21.603 9.882 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.942 20.823 10.321 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.753 19.502 8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.151 19.397 10.000 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.380 18.697 8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.680 17.522 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.191 17.547 10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.862 17.569 11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.955 18.996 11.434 1.00 0.00 H new ATOM 1742 N GLU A 113 9.760 24.434 8.682 1.00 0.00 N ATOM 1743 CA GLU A 113 10.212 25.523 9.539 1.00 0.00 C ATOM 1744 C GLU A 113 9.432 25.543 10.850 1.00 0.00 C ATOM 1745 O GLU A 113 8.287 25.991 10.895 1.00 0.00 O ATOM 1746 CB GLU A 113 10.058 26.865 8.820 1.00 0.00 C ATOM 1747 CG GLU A 113 10.970 27.953 9.361 1.00 0.00 C ATOM 1748 CD GLU A 113 11.003 29.182 8.472 1.00 0.00 C ATOM 1749 OE1 GLU A 113 9.925 29.760 8.221 1.00 0.00 O ATOM 1750 OE2 GLU A 113 12.105 29.564 8.028 1.00 0.00 O ATOM 0 H GLU A 113 8.794 24.519 8.366 1.00 0.00 H new ATOM 0 HA GLU A 113 11.266 25.360 9.766 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.263 26.725 7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.023 27.196 8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.636 28.239 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.980 27.557 9.465 1.00 0.00 H new ATOM 1757 N GLU A 114 10.061 25.054 11.914 1.00 0.00 N ATOM 1758 CA GLU A 114 9.425 25.015 13.226 1.00 0.00 C ATOM 1759 C GLU A 114 10.448 25.248 14.334 1.00 0.00 C ATOM 1760 O GLU A 114 11.635 24.972 14.164 1.00 0.00 O ATOM 1761 CB GLU A 114 8.725 23.671 13.438 1.00 0.00 C ATOM 1762 CG GLU A 114 9.673 22.484 13.435 1.00 0.00 C ATOM 1763 CD GLU A 114 8.965 21.171 13.708 1.00 0.00 C ATOM 1764 OE1 GLU A 114 8.735 20.856 14.894 1.00 0.00 O ATOM 1765 OE2 GLU A 114 8.641 20.459 12.735 1.00 0.00 O ATOM 0 H GLU A 114 11.010 24.680 11.893 1.00 0.00 H new ATOM 0 HA GLU A 114 8.684 25.813 13.266 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.190 23.695 14.387 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.979 23.532 12.655 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.175 22.428 12.469 1.00 0.00 H new ATOM 0 HG3 GLU A 114 10.446 22.639 14.188 1.00 0.00 H new TER 1772 GLU A 114