USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 650 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0143 (180deg=-0.189) USER MOD Single : A 3 ASN : amide:sc=-0.00958 X(o=-0.0096,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -77:sc= -0.855 USER MOD Single : A 12 SER OG : rot 32:sc= 0.195 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 161:sc= 0.567 USER MOD Single : A 26 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.024) USER MOD Single : A 31 SER OG : rot -180:sc= -0.76 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 33 TYR OH : rot -160:sc= -2.4! USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0568) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.0066) USER MOD Single : A 48 GLN : amide:sc= -7.08! C(o=-7.1!,f=-10!) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0293) USER MOD Single : A 55 TYR OH : rot 16:sc= -5.34! USER MOD Single : A 57 LYS NZ :NH3+ -131:sc= -0.28 (180deg=-2.32!) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0711 USER MOD Single : A 79 HIS : no HD1:sc= -0.0793 X(o=-0.079,f=-0.052) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 81 HIS : no HD1:sc= -0.0525 X(o=-0.052,f=-0.0076) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0986 X(o=-0.099,f=-0.1) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.687 7.583 -14.589 1.00 0.00 N ATOM 2 CA MET A 1 5.647 8.645 -14.601 1.00 0.00 C ATOM 3 C MET A 1 4.946 8.745 -13.250 1.00 0.00 C ATOM 4 O MET A 1 3.752 9.037 -13.179 1.00 0.00 O ATOM 5 CB MET A 1 4.632 8.320 -15.699 1.00 0.00 C ATOM 6 CG MET A 1 3.878 7.021 -15.465 1.00 0.00 C ATOM 7 SD MET A 1 2.395 6.886 -16.482 1.00 0.00 S ATOM 8 CE MET A 1 2.692 5.324 -17.308 1.00 0.00 C ATOM 0 H1 MET A 1 7.004 7.397 -15.562 1.00 0.00 H new ATOM 0 H2 MET A 1 7.496 7.896 -14.015 1.00 0.00 H new ATOM 0 H3 MET A 1 6.290 6.712 -14.182 1.00 0.00 H new ATOM 0 HA MET A 1 6.120 9.607 -14.798 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.915 9.138 -15.774 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.150 8.262 -16.656 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.537 6.179 -15.677 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.600 6.951 -14.413 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.859 5.101 -17.975 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.613 5.388 -17.887 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.785 4.532 -16.565 1.00 0.00 H new ATOM 20 N GLU A 2 5.696 8.501 -12.180 1.00 0.00 N ATOM 21 CA GLU A 2 5.146 8.564 -10.831 1.00 0.00 C ATOM 22 C GLU A 2 4.007 7.563 -10.660 1.00 0.00 C ATOM 23 O GLU A 2 2.919 7.915 -10.204 1.00 0.00 O ATOM 24 CB GLU A 2 4.651 9.980 -10.526 1.00 0.00 C ATOM 25 CG GLU A 2 5.623 11.069 -10.951 1.00 0.00 C ATOM 26 CD GLU A 2 5.346 11.582 -12.351 1.00 0.00 C ATOM 27 OE1 GLU A 2 4.193 11.976 -12.622 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.284 11.589 -13.176 1.00 0.00 O ATOM 0 H GLU A 2 6.686 8.258 -12.221 1.00 0.00 H new ATOM 0 HA GLU A 2 5.938 8.306 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.697 10.139 -11.030 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.465 10.068 -9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.565 11.898 -10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.641 10.681 -10.905 1.00 0.00 H new ATOM 35 N ASN A 3 4.266 6.313 -11.031 1.00 0.00 N ATOM 36 CA ASN A 3 3.264 5.260 -10.919 1.00 0.00 C ATOM 37 C ASN A 3 3.904 3.883 -11.066 1.00 0.00 C ATOM 38 O ASN A 3 4.634 3.626 -12.024 1.00 0.00 O ATOM 39 CB ASN A 3 2.177 5.446 -11.980 1.00 0.00 C ATOM 40 CG ASN A 3 0.931 4.637 -11.678 1.00 0.00 C ATOM 41 OD1 ASN A 3 0.599 3.695 -12.398 1.00 0.00 O ATOM 42 ND2 ASN A 3 0.233 5.001 -10.609 1.00 0.00 N ATOM 0 H ASN A 3 5.161 6.005 -11.412 1.00 0.00 H new ATOM 0 HA ASN A 3 2.811 5.327 -9.930 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.914 6.502 -12.046 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.570 5.154 -12.954 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.615 4.493 -10.357 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.545 5.788 -10.040 1.00 0.00 H new ATOM 49 N ASP A 4 3.625 3.002 -10.111 1.00 0.00 N ATOM 50 CA ASP A 4 4.174 1.651 -10.134 1.00 0.00 C ATOM 51 C ASP A 4 3.331 0.708 -9.280 1.00 0.00 C ATOM 52 O ASP A 4 2.645 1.140 -8.354 1.00 0.00 O ATOM 53 CB ASP A 4 5.620 1.658 -9.633 1.00 0.00 C ATOM 54 CG ASP A 4 6.623 1.753 -10.765 1.00 0.00 C ATOM 55 OD1 ASP A 4 6.949 2.887 -11.176 1.00 0.00 O ATOM 56 OD2 ASP A 4 7.084 0.694 -11.241 1.00 0.00 O ATOM 0 H ASP A 4 3.022 3.199 -9.312 1.00 0.00 H new ATOM 0 HA ASP A 4 4.156 1.294 -11.164 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.762 2.498 -8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.808 0.750 -9.060 1.00 0.00 H new ATOM 61 N PRO A 5 3.371 -0.601 -9.582 1.00 0.00 N ATOM 62 CA PRO A 5 2.607 -1.606 -8.837 1.00 0.00 C ATOM 63 C PRO A 5 3.208 -1.895 -7.465 1.00 0.00 C ATOM 64 O PRO A 5 2.535 -2.427 -6.582 1.00 0.00 O ATOM 65 CB PRO A 5 2.695 -2.843 -9.730 1.00 0.00 C ATOM 66 CG PRO A 5 3.980 -2.683 -10.467 1.00 0.00 C ATOM 67 CD PRO A 5 4.163 -1.203 -10.672 1.00 0.00 C ATOM 0 HA PRO A 5 1.588 -1.278 -8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.688 -3.759 -9.140 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.849 -2.898 -10.415 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.810 -3.103 -9.899 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.949 -3.208 -11.422 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.213 -0.917 -10.610 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.803 -0.886 -11.651 1.00 0.00 H new ATOM 75 N THR A 6 4.480 -1.546 -7.292 1.00 0.00 N ATOM 76 CA THR A 6 5.172 -1.772 -6.027 1.00 0.00 C ATOM 77 C THR A 6 5.024 -0.575 -5.090 1.00 0.00 C ATOM 78 O THR A 6 5.985 -0.165 -4.438 1.00 0.00 O ATOM 79 CB THR A 6 6.654 -2.052 -6.280 1.00 0.00 C ATOM 80 OG1 THR A 6 7.270 -0.949 -6.921 1.00 0.00 O ATOM 81 CG2 THR A 6 6.894 -3.274 -7.139 1.00 0.00 C ATOM 0 H THR A 6 5.052 -1.105 -8.012 1.00 0.00 H new ATOM 0 HA THR A 6 4.716 -2.638 -5.547 1.00 0.00 H new ATOM 0 HB THR A 6 7.087 -2.229 -5.295 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.218 -1.146 -7.073 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.966 -3.415 -7.279 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.473 -4.152 -6.648 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.416 -3.137 -8.109 1.00 0.00 H new ATOM 89 N VAL A 7 3.819 -0.017 -5.023 1.00 0.00 N ATOM 90 CA VAL A 7 3.558 1.129 -4.162 1.00 0.00 C ATOM 91 C VAL A 7 2.127 1.115 -3.635 1.00 0.00 C ATOM 92 O VAL A 7 1.343 0.224 -3.961 1.00 0.00 O ATOM 93 CB VAL A 7 3.811 2.453 -4.898 1.00 0.00 C ATOM 94 CG1 VAL A 7 5.253 2.539 -5.376 1.00 0.00 C ATOM 95 CG2 VAL A 7 2.848 2.584 -6.053 1.00 0.00 C ATOM 0 H VAL A 7 3.010 -0.340 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 7 4.248 1.052 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 7 3.644 3.280 -4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.409 3.485 -5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.924 2.480 -4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.460 1.714 -6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.030 3.524 -6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.993 1.753 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.825 2.569 -5.677 1.00 0.00 H new ATOM 105 N LEU A 8 1.793 2.112 -2.822 1.00 0.00 N ATOM 106 CA LEU A 8 0.456 2.221 -2.252 1.00 0.00 C ATOM 107 C LEU A 8 0.082 3.684 -2.042 1.00 0.00 C ATOM 108 O LEU A 8 0.909 4.492 -1.620 1.00 0.00 O ATOM 109 CB LEU A 8 0.380 1.461 -0.925 1.00 0.00 C ATOM 110 CG LEU A 8 -0.848 0.564 -0.762 1.00 0.00 C ATOM 111 CD1 LEU A 8 -2.124 1.355 -1.007 1.00 0.00 C ATOM 112 CD2 LEU A 8 -0.766 -0.626 -1.707 1.00 0.00 C ATOM 0 H LEU A 8 2.431 2.857 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.253 1.778 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.275 0.847 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.394 2.183 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.869 0.190 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.987 0.700 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.187 2.174 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.113 1.758 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.647 -1.254 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.721 -0.271 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.129 -1.207 -1.484 1.00 0.00 H new ATOM 124 N ARG A 9 -1.168 4.021 -2.344 1.00 0.00 N ATOM 125 CA ARG A 9 -1.647 5.390 -2.193 1.00 0.00 C ATOM 126 C ARG A 9 -3.134 5.415 -1.863 1.00 0.00 C ATOM 127 O ARG A 9 -3.899 4.570 -2.329 1.00 0.00 O ATOM 128 CB ARG A 9 -1.384 6.188 -3.472 1.00 0.00 C ATOM 129 CG ARG A 9 0.001 5.963 -4.058 1.00 0.00 C ATOM 130 CD ARG A 9 0.348 7.023 -5.091 1.00 0.00 C ATOM 131 NE ARG A 9 1.451 6.607 -5.953 1.00 0.00 N ATOM 132 CZ ARG A 9 2.175 7.448 -6.689 1.00 0.00 C ATOM 133 NH1 ARG A 9 1.916 8.749 -6.669 1.00 0.00 N ATOM 134 NH2 ARG A 9 3.160 6.986 -7.446 1.00 0.00 N ATOM 0 H ARG A 9 -1.867 3.366 -2.694 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.103 5.848 -1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.132 5.920 -4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.511 7.250 -3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.742 5.976 -3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.046 4.976 -4.518 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.530 7.235 -5.702 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.614 7.950 -4.584 1.00 0.00 H new ATOM 0 HE ARG A 9 1.680 5.614 -5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.159 9.109 -6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.474 9.389 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.363 5.987 -7.465 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.715 7.630 -8.010 1.00 0.00 H new ATOM 148 N SER A 10 -3.537 6.390 -1.056 1.00 0.00 N ATOM 149 CA SER A 10 -4.934 6.528 -0.661 1.00 0.00 C ATOM 150 C SER A 10 -5.799 6.934 -1.851 1.00 0.00 C ATOM 151 O SER A 10 -5.361 7.690 -2.718 1.00 0.00 O ATOM 152 CB SER A 10 -5.069 7.562 0.459 1.00 0.00 C ATOM 153 OG SER A 10 -4.911 6.959 1.732 1.00 0.00 O ATOM 0 H SER A 10 -2.916 7.097 -0.662 1.00 0.00 H new ATOM 0 HA SER A 10 -5.280 5.561 -0.297 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.321 8.344 0.328 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.046 8.042 0.399 1.00 0.00 H new ATOM 0 HG SER A 10 -5.733 6.483 1.973 1.00 0.00 H new ATOM 159 N PRO A 11 -7.048 6.437 -1.908 1.00 0.00 N ATOM 160 CA PRO A 11 -7.973 6.755 -2.999 1.00 0.00 C ATOM 161 C PRO A 11 -8.501 8.183 -2.913 1.00 0.00 C ATOM 162 O PRO A 11 -8.868 8.782 -3.925 1.00 0.00 O ATOM 163 CB PRO A 11 -9.110 5.752 -2.799 1.00 0.00 C ATOM 164 CG PRO A 11 -9.095 5.453 -1.341 1.00 0.00 C ATOM 165 CD PRO A 11 -7.654 5.529 -0.915 1.00 0.00 C ATOM 0 HA PRO A 11 -7.493 6.688 -3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.067 6.171 -3.108 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.952 4.850 -3.390 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.703 6.170 -0.790 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.509 4.465 -1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.555 5.919 0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.180 4.548 -0.927 1.00 0.00 H new ATOM 173 N SER A 12 -8.537 8.724 -1.700 1.00 0.00 N ATOM 174 CA SER A 12 -9.020 10.082 -1.482 1.00 0.00 C ATOM 175 C SER A 12 -8.394 10.689 -0.230 1.00 0.00 C ATOM 176 O SER A 12 -7.613 10.037 0.464 1.00 0.00 O ATOM 177 CB SER A 12 -10.545 10.090 -1.358 1.00 0.00 C ATOM 178 OG SER A 12 -11.158 10.307 -2.616 1.00 0.00 O ATOM 0 H SER A 12 -8.237 8.242 -0.852 1.00 0.00 H new ATOM 0 HA SER A 12 -8.729 10.686 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.884 9.141 -0.944 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.852 10.870 -0.661 1.00 0.00 H new ATOM 0 HG SER A 12 -10.604 9.913 -3.322 1.00 0.00 H new ATOM 184 N ALA A 13 -8.742 11.940 0.053 1.00 0.00 N ATOM 185 CA ALA A 13 -8.215 12.634 1.222 1.00 0.00 C ATOM 186 C ALA A 13 -8.892 12.150 2.500 1.00 0.00 C ATOM 187 O ALA A 13 -10.079 12.396 2.717 1.00 0.00 O ATOM 188 CB ALA A 13 -8.391 14.137 1.067 1.00 0.00 C ATOM 0 H ALA A 13 -9.387 12.494 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.151 12.409 1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.993 14.643 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.856 14.477 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.451 14.370 0.962 1.00 0.00 H new ATOM 194 N GLY A 14 -8.130 11.460 3.342 1.00 0.00 N ATOM 195 CA GLY A 14 -8.674 10.952 4.588 1.00 0.00 C ATOM 196 C GLY A 14 -7.761 11.215 5.770 1.00 0.00 C ATOM 197 O GLY A 14 -7.241 12.319 5.927 1.00 0.00 O ATOM 0 H GLY A 14 -7.146 11.244 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.644 11.414 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.844 9.879 4.496 1.00 0.00 H new ATOM 201 N LYS A 15 -7.566 10.197 6.602 1.00 0.00 N ATOM 202 CA LYS A 15 -6.709 10.323 7.775 1.00 0.00 C ATOM 203 C LYS A 15 -6.303 8.951 8.303 1.00 0.00 C ATOM 204 O LYS A 15 -7.127 8.041 8.391 1.00 0.00 O ATOM 205 CB LYS A 15 -7.424 11.114 8.872 1.00 0.00 C ATOM 206 CG LYS A 15 -6.582 11.320 10.122 1.00 0.00 C ATOM 207 CD LYS A 15 -7.025 10.403 11.251 1.00 0.00 C ATOM 208 CE LYS A 15 -8.259 10.943 11.955 1.00 0.00 C ATOM 209 NZ LYS A 15 -8.353 10.460 13.360 1.00 0.00 N ATOM 0 H LYS A 15 -7.990 9.276 6.486 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.807 10.859 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.715 12.087 8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.342 10.593 9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.533 11.133 9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.657 12.358 10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.237 9.410 10.853 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.214 10.292 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.234 12.033 11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.151 10.641 11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.208 10.851 13.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.403 9.421 13.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.514 10.770 13.891 1.00 0.00 H new ATOM 223 N LEU A 16 -5.029 8.810 8.654 1.00 0.00 N ATOM 224 CA LEU A 16 -4.513 7.548 9.173 1.00 0.00 C ATOM 225 C LEU A 16 -5.094 7.252 10.552 1.00 0.00 C ATOM 226 O LEU A 16 -4.635 7.793 11.559 1.00 0.00 O ATOM 227 CB LEU A 16 -2.985 7.594 9.249 1.00 0.00 C ATOM 228 CG LEU A 16 -2.281 6.248 9.065 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.754 5.565 7.790 1.00 0.00 C ATOM 230 CD2 LEU A 16 -0.772 6.436 9.041 1.00 0.00 C ATOM 0 H LEU A 16 -4.335 9.554 8.589 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.813 6.751 8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.620 8.283 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.698 8.006 10.216 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.536 5.609 9.910 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.242 4.610 7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.829 5.396 7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.530 6.200 6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.287 5.469 8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.500 7.094 8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.446 6.881 9.981 1.00 0.00 H new ATOM 242 N THR A 17 -6.110 6.395 10.591 1.00 0.00 N ATOM 243 CA THR A 17 -6.756 6.034 11.847 1.00 0.00 C ATOM 244 C THR A 17 -5.896 5.063 12.653 1.00 0.00 C ATOM 245 O THR A 17 -5.736 5.222 13.863 1.00 0.00 O ATOM 246 CB THR A 17 -8.132 5.419 11.580 1.00 0.00 C ATOM 247 OG1 THR A 17 -8.837 5.220 12.792 1.00 0.00 O ATOM 248 CG2 THR A 17 -8.067 4.088 10.865 1.00 0.00 C ATOM 0 H THR A 17 -6.503 5.938 9.768 1.00 0.00 H new ATOM 0 HA THR A 17 -6.880 6.945 12.433 1.00 0.00 H new ATOM 0 HB THR A 17 -8.645 6.134 10.936 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.714 4.828 12.600 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.077 3.710 10.708 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.574 4.216 9.901 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.503 3.377 11.469 1.00 0.00 H new ATOM 256 N GLN A 18 -5.347 4.055 11.980 1.00 0.00 N ATOM 257 CA GLN A 18 -4.510 3.062 12.645 1.00 0.00 C ATOM 258 C GLN A 18 -3.745 2.217 11.627 1.00 0.00 C ATOM 259 O GLN A 18 -3.598 2.608 10.469 1.00 0.00 O ATOM 260 CB GLN A 18 -5.370 2.164 13.538 1.00 0.00 C ATOM 261 CG GLN A 18 -4.722 1.832 14.872 1.00 0.00 C ATOM 262 CD GLN A 18 -5.128 0.468 15.395 1.00 0.00 C ATOM 263 OE1 GLN A 18 -6.292 0.077 15.304 1.00 0.00 O ATOM 264 NE2 GLN A 18 -4.168 -0.264 15.946 1.00 0.00 N ATOM 0 H GLN A 18 -5.466 3.905 10.978 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.782 3.588 13.262 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.326 2.655 13.720 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.585 1.237 13.007 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.638 1.867 14.764 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.994 2.593 15.603 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.217 0.100 16.000 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.381 -1.191 16.315 1.00 0.00 H new ATOM 273 N TYR A 19 -3.258 1.059 12.067 1.00 0.00 N ATOM 274 CA TYR A 19 -2.508 0.162 11.194 1.00 0.00 C ATOM 275 C TYR A 19 -2.701 -1.292 11.612 1.00 0.00 C ATOM 276 O TYR A 19 -2.734 -1.608 12.801 1.00 0.00 O ATOM 277 CB TYR A 19 -1.021 0.518 11.221 1.00 0.00 C ATOM 278 CG TYR A 19 -0.444 0.606 12.616 1.00 0.00 C ATOM 279 CD1 TYR A 19 -0.162 -0.541 13.346 1.00 0.00 C ATOM 280 CD2 TYR A 19 -0.182 1.838 13.202 1.00 0.00 C ATOM 281 CE1 TYR A 19 0.365 -0.464 14.621 1.00 0.00 C ATOM 282 CE2 TYR A 19 0.346 1.923 14.477 1.00 0.00 C ATOM 283 CZ TYR A 19 0.617 0.770 15.182 1.00 0.00 C ATOM 284 OH TYR A 19 1.142 0.850 16.451 1.00 0.00 O ATOM 0 H TYR A 19 -3.370 0.721 13.023 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.886 0.283 10.179 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.467 -0.230 10.654 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.875 1.473 10.716 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.358 -1.509 12.910 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.394 2.744 12.653 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.578 -1.366 15.175 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.545 2.888 14.918 1.00 0.00 H new ATOM 0 HH TYR A 19 1.261 1.791 16.697 1.00 0.00 H new ATOM 294 N THR A 20 -2.833 -2.172 10.624 1.00 0.00 N ATOM 295 CA THR A 20 -3.029 -3.594 10.885 1.00 0.00 C ATOM 296 C THR A 20 -1.709 -4.362 10.824 1.00 0.00 C ATOM 297 O THR A 20 -1.644 -5.526 11.220 1.00 0.00 O ATOM 298 CB THR A 20 -4.018 -4.185 9.878 1.00 0.00 C ATOM 299 OG1 THR A 20 -3.392 -4.397 8.625 1.00 0.00 O ATOM 300 CG2 THR A 20 -5.229 -3.308 9.643 1.00 0.00 C ATOM 0 H THR A 20 -2.808 -1.925 9.635 1.00 0.00 H new ATOM 0 HA THR A 20 -3.433 -3.693 11.893 1.00 0.00 H new ATOM 0 HB THR A 20 -4.350 -5.125 10.318 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.915 -5.040 8.102 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.889 -3.786 8.919 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.763 -3.166 10.582 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.908 -2.340 9.258 1.00 0.00 H new ATOM 308 N VAL A 21 -0.661 -3.712 10.325 1.00 0.00 N ATOM 309 CA VAL A 21 0.646 -4.349 10.217 1.00 0.00 C ATOM 310 C VAL A 21 1.774 -3.332 10.356 1.00 0.00 C ATOM 311 O VAL A 21 1.675 -2.208 9.864 1.00 0.00 O ATOM 312 CB VAL A 21 0.800 -5.089 8.875 1.00 0.00 C ATOM 313 CG1 VAL A 21 -0.210 -6.220 8.769 1.00 0.00 C ATOM 314 CG2 VAL A 21 0.652 -4.121 7.709 1.00 0.00 C ATOM 0 H VAL A 21 -0.692 -2.749 9.991 1.00 0.00 H new ATOM 0 HA VAL A 21 0.712 -5.069 11.033 1.00 0.00 H new ATOM 0 HB VAL A 21 1.800 -5.521 8.833 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.085 -6.731 7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.051 -6.928 9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.219 -5.814 8.834 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.764 -4.663 6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.333 -3.656 7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.419 -3.350 7.777 1.00 0.00 H new ATOM 324 N GLU A 22 2.845 -3.737 11.030 1.00 0.00 N ATOM 325 CA GLU A 22 3.996 -2.866 11.236 1.00 0.00 C ATOM 326 C GLU A 22 4.722 -2.601 9.922 1.00 0.00 C ATOM 327 O GLU A 22 4.301 -3.067 8.863 1.00 0.00 O ATOM 328 CB GLU A 22 4.959 -3.494 12.245 1.00 0.00 C ATOM 329 CG GLU A 22 5.563 -4.806 11.771 1.00 0.00 C ATOM 330 CD GLU A 22 5.430 -5.915 12.797 1.00 0.00 C ATOM 331 OE1 GLU A 22 4.411 -6.635 12.764 1.00 0.00 O ATOM 332 OE2 GLU A 22 6.345 -6.062 13.635 1.00 0.00 O ATOM 0 H GLU A 22 2.940 -4.665 11.444 1.00 0.00 H new ATOM 0 HA GLU A 22 3.635 -1.915 11.628 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.763 -2.788 12.456 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.430 -3.664 13.183 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.076 -5.112 10.845 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.618 -4.654 11.541 1.00 0.00 H new ATOM 339 N ASP A 23 5.818 -1.853 9.999 1.00 0.00 N ATOM 340 CA ASP A 23 6.607 -1.528 8.816 1.00 0.00 C ATOM 341 C ASP A 23 7.123 -2.797 8.144 1.00 0.00 C ATOM 342 O ASP A 23 7.815 -3.603 8.766 1.00 0.00 O ATOM 343 CB ASP A 23 7.780 -0.622 9.192 1.00 0.00 C ATOM 344 CG ASP A 23 8.584 -0.185 7.983 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.993 0.421 7.065 1.00 0.00 O ATOM 346 OD2 ASP A 23 9.805 -0.448 7.955 1.00 0.00 O ATOM 0 H ASP A 23 6.180 -1.461 10.868 1.00 0.00 H new ATOM 0 HA ASP A 23 5.963 -1.001 8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.403 0.259 9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.433 -1.148 9.888 1.00 0.00 H new ATOM 351 N GLY A 24 6.780 -2.968 6.872 1.00 0.00 N ATOM 352 CA GLY A 24 7.217 -4.142 6.139 1.00 0.00 C ATOM 353 C GLY A 24 6.395 -5.372 6.473 1.00 0.00 C ATOM 354 O GLY A 24 6.874 -6.499 6.349 1.00 0.00 O ATOM 0 H GLY A 24 6.208 -2.316 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.151 -3.944 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.266 -4.337 6.363 1.00 0.00 H new ATOM 358 N GLY A 25 5.154 -5.156 6.898 1.00 0.00 N ATOM 359 CA GLY A 25 4.284 -6.264 7.244 1.00 0.00 C ATOM 360 C GLY A 25 3.891 -7.092 6.036 1.00 0.00 C ATOM 361 O GLY A 25 3.196 -6.608 5.143 1.00 0.00 O ATOM 0 H GLY A 25 4.736 -4.232 7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.786 -6.903 7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.385 -5.879 7.725 1.00 0.00 H new ATOM 365 N HIS A 26 4.338 -8.344 6.008 1.00 0.00 N ATOM 366 CA HIS A 26 4.029 -9.241 4.900 1.00 0.00 C ATOM 367 C HIS A 26 2.526 -9.473 4.787 1.00 0.00 C ATOM 368 O HIS A 26 1.893 -9.974 5.716 1.00 0.00 O ATOM 369 CB HIS A 26 4.750 -10.578 5.083 1.00 0.00 C ATOM 370 CG HIS A 26 4.648 -11.481 3.894 1.00 0.00 C ATOM 371 ND1 HIS A 26 5.731 -11.818 3.109 1.00 0.00 N ATOM 372 CD2 HIS A 26 3.583 -12.121 3.355 1.00 0.00 C ATOM 373 CE1 HIS A 26 5.336 -12.624 2.139 1.00 0.00 C ATOM 374 NE2 HIS A 26 4.038 -12.824 2.267 1.00 0.00 N ATOM 0 H HIS A 26 4.915 -8.760 6.739 1.00 0.00 H new ATOM 0 HA HIS A 26 4.375 -8.771 3.979 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.802 -10.388 5.295 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.336 -11.088 5.953 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.565 -12.085 3.714 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.968 -13.047 1.372 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.465 -13.407 1.656 1.00 0.00 H new ATOM 383 N VAL A 27 1.960 -9.104 3.641 1.00 0.00 N ATOM 384 CA VAL A 27 0.531 -9.273 3.405 1.00 0.00 C ATOM 385 C VAL A 27 0.253 -9.603 1.942 1.00 0.00 C ATOM 386 O VAL A 27 0.818 -8.988 1.038 1.00 0.00 O ATOM 387 CB VAL A 27 -0.256 -8.007 3.792 1.00 0.00 C ATOM 388 CG1 VAL A 27 -0.148 -7.745 5.286 1.00 0.00 C ATOM 389 CG2 VAL A 27 0.236 -6.807 2.995 1.00 0.00 C ATOM 0 H VAL A 27 2.470 -8.686 2.862 1.00 0.00 H new ATOM 0 HA VAL A 27 0.202 -10.102 4.032 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.307 -8.168 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.711 -6.846 5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.555 -8.595 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.899 -7.606 5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.332 -5.922 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.294 -6.642 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.099 -6.996 1.930 1.00 0.00 H new ATOM 399 N GLU A 28 -0.623 -10.576 1.716 1.00 0.00 N ATOM 400 CA GLU A 28 -0.976 -10.986 0.362 1.00 0.00 C ATOM 401 C GLU A 28 -2.069 -10.089 -0.212 1.00 0.00 C ATOM 402 O GLU A 28 -2.760 -9.387 0.526 1.00 0.00 O ATOM 403 CB GLU A 28 -1.436 -12.446 0.351 1.00 0.00 C ATOM 404 CG GLU A 28 -2.786 -12.666 1.018 1.00 0.00 C ATOM 405 CD GLU A 28 -2.719 -13.662 2.159 1.00 0.00 C ATOM 406 OE1 GLU A 28 -2.695 -14.880 1.883 1.00 0.00 O ATOM 407 OE2 GLU A 28 -2.690 -13.224 3.328 1.00 0.00 O ATOM 0 H GLU A 28 -1.101 -11.095 2.452 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.088 -10.889 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.489 -12.793 -0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.688 -13.058 0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.161 -11.714 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.501 -13.019 0.275 1.00 0.00 H new ATOM 414 N ALA A 29 -2.220 -10.120 -1.533 1.00 0.00 N ATOM 415 CA ALA A 29 -3.231 -9.312 -2.210 1.00 0.00 C ATOM 416 C ALA A 29 -4.591 -9.436 -1.528 1.00 0.00 C ATOM 417 O ALA A 29 -5.069 -10.540 -1.271 1.00 0.00 O ATOM 418 CB ALA A 29 -3.334 -9.717 -3.673 1.00 0.00 C ATOM 0 H ALA A 29 -1.655 -10.696 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.922 -8.268 -2.151 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.091 -9.108 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.371 -9.566 -4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.614 -10.768 -3.741 1.00 0.00 H new ATOM 424 N GLY A 30 -5.208 -8.295 -1.239 1.00 0.00 N ATOM 425 CA GLY A 30 -6.506 -8.299 -0.590 1.00 0.00 C ATOM 426 C GLY A 30 -6.406 -8.143 0.915 1.00 0.00 C ATOM 427 O GLY A 30 -7.347 -7.682 1.561 1.00 0.00 O ATOM 0 H GLY A 30 -4.833 -7.369 -1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.113 -7.490 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.021 -9.231 -0.821 1.00 0.00 H new ATOM 431 N SER A 31 -5.264 -8.528 1.476 1.00 0.00 N ATOM 432 CA SER A 31 -5.048 -8.428 2.914 1.00 0.00 C ATOM 433 C SER A 31 -4.879 -6.973 3.339 1.00 0.00 C ATOM 434 O SER A 31 -4.066 -6.241 2.773 1.00 0.00 O ATOM 435 CB SER A 31 -3.816 -9.237 3.324 1.00 0.00 C ATOM 436 OG SER A 31 -4.036 -10.626 3.149 1.00 0.00 O ATOM 0 H SER A 31 -4.475 -8.912 0.956 1.00 0.00 H new ATOM 0 HA SER A 31 -5.925 -8.835 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.957 -8.924 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.574 -9.033 4.367 1.00 0.00 H new ATOM 0 HG SER A 31 -3.235 -11.121 3.422 1.00 0.00 H new ATOM 442 N SER A 32 -5.651 -6.560 4.338 1.00 0.00 N ATOM 443 CA SER A 32 -5.586 -5.192 4.838 1.00 0.00 C ATOM 444 C SER A 32 -4.244 -4.922 5.510 1.00 0.00 C ATOM 445 O SER A 32 -3.738 -5.751 6.265 1.00 0.00 O ATOM 446 CB SER A 32 -6.726 -4.933 5.826 1.00 0.00 C ATOM 447 OG SER A 32 -6.837 -5.988 6.765 1.00 0.00 O ATOM 0 H SER A 32 -6.329 -7.153 4.817 1.00 0.00 H new ATOM 0 HA SER A 32 -5.690 -4.516 3.989 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.551 -3.993 6.349 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.665 -4.825 5.283 1.00 0.00 H new ATOM 0 HG SER A 32 -7.571 -5.798 7.386 1.00 0.00 H new ATOM 453 N TYR A 33 -3.672 -3.756 5.228 1.00 0.00 N ATOM 454 CA TYR A 33 -2.386 -3.376 5.804 1.00 0.00 C ATOM 455 C TYR A 33 -2.524 -2.165 6.727 1.00 0.00 C ATOM 456 O TYR A 33 -1.603 -1.839 7.476 1.00 0.00 O ATOM 457 CB TYR A 33 -1.375 -3.075 4.693 1.00 0.00 C ATOM 458 CG TYR A 33 -1.682 -1.815 3.913 1.00 0.00 C ATOM 459 CD1 TYR A 33 -1.178 -0.585 4.318 1.00 0.00 C ATOM 460 CD2 TYR A 33 -2.473 -1.856 2.772 1.00 0.00 C ATOM 461 CE1 TYR A 33 -1.455 0.568 3.608 1.00 0.00 C ATOM 462 CE2 TYR A 33 -2.753 -0.708 2.056 1.00 0.00 C ATOM 463 CZ TYR A 33 -2.242 0.501 2.479 1.00 0.00 C ATOM 464 OH TYR A 33 -2.520 1.647 1.769 1.00 0.00 O ATOM 0 H TYR A 33 -4.078 -3.058 4.605 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.027 -4.216 6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.382 -2.986 5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.344 -3.919 4.004 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.560 -0.529 5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.876 -2.801 2.439 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.057 1.517 3.936 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.369 -0.757 1.170 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.314 1.503 1.213 1.00 0.00 H new ATOM 474 N ALA A 34 -3.676 -1.500 6.671 1.00 0.00 N ATOM 475 CA ALA A 34 -3.921 -0.329 7.504 1.00 0.00 C ATOM 476 C ALA A 34 -5.368 0.133 7.388 1.00 0.00 C ATOM 477 O ALA A 34 -6.211 -0.563 6.822 1.00 0.00 O ATOM 478 CB ALA A 34 -2.974 0.798 7.122 1.00 0.00 C ATOM 0 H ALA A 34 -4.452 -1.753 6.059 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.737 -0.607 8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.168 1.666 7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.944 0.471 7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.130 1.066 6.077 1.00 0.00 H new ATOM 484 N GLU A 35 -5.649 1.313 7.929 1.00 0.00 N ATOM 485 CA GLU A 35 -6.993 1.872 7.890 1.00 0.00 C ATOM 486 C GLU A 35 -6.943 3.392 7.786 1.00 0.00 C ATOM 487 O GLU A 35 -5.905 4.007 8.030 1.00 0.00 O ATOM 488 CB GLU A 35 -7.773 1.461 9.141 1.00 0.00 C ATOM 489 CG GLU A 35 -7.837 -0.042 9.351 1.00 0.00 C ATOM 490 CD GLU A 35 -9.095 -0.475 10.079 1.00 0.00 C ATOM 491 OE1 GLU A 35 -10.187 0.014 9.720 1.00 0.00 O ATOM 492 OE2 GLU A 35 -8.989 -1.304 11.007 1.00 0.00 O ATOM 0 H GLU A 35 -4.962 1.901 8.400 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.500 1.480 7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.312 1.922 10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.788 1.853 9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.790 -0.543 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.964 -0.364 9.919 1.00 0.00 H new ATOM 499 N MET A 36 -8.070 3.993 7.423 1.00 0.00 N ATOM 500 CA MET A 36 -8.152 5.442 7.289 1.00 0.00 C ATOM 501 C MET A 36 -9.571 5.934 7.554 1.00 0.00 C ATOM 502 O MET A 36 -10.510 5.560 6.852 1.00 0.00 O ATOM 503 CB MET A 36 -7.698 5.874 5.893 1.00 0.00 C ATOM 504 CG MET A 36 -8.622 5.408 4.779 1.00 0.00 C ATOM 505 SD MET A 36 -7.727 4.940 3.285 1.00 0.00 S ATOM 506 CE MET A 36 -9.054 4.258 2.295 1.00 0.00 C ATOM 0 H MET A 36 -8.939 3.500 7.216 1.00 0.00 H new ATOM 0 HA MET A 36 -7.490 5.888 8.031 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.627 6.961 5.864 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.697 5.485 5.709 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.207 4.557 5.129 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.328 6.204 4.541 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.658 3.923 1.336 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.501 3.413 2.818 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.813 5.023 2.127 1.00 0.00 H new ATOM 516 N GLU A 37 -9.719 6.774 8.573 1.00 0.00 N ATOM 517 CA GLU A 37 -11.022 7.317 8.933 1.00 0.00 C ATOM 518 C GLU A 37 -11.298 8.615 8.183 1.00 0.00 C ATOM 519 O GLU A 37 -10.773 9.672 8.534 1.00 0.00 O ATOM 520 CB GLU A 37 -11.098 7.560 10.442 1.00 0.00 C ATOM 521 CG GLU A 37 -12.520 7.642 10.974 1.00 0.00 C ATOM 522 CD GLU A 37 -12.633 8.526 12.200 1.00 0.00 C ATOM 523 OE1 GLU A 37 -12.325 8.043 13.310 1.00 0.00 O ATOM 524 OE2 GLU A 37 -13.028 9.701 12.050 1.00 0.00 O ATOM 0 H GLU A 37 -8.951 7.093 9.164 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.781 6.588 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.572 6.757 10.958 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.576 8.487 10.679 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.175 8.026 10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.871 6.640 11.220 1.00 0.00 H new ATOM 531 N VAL A 38 -12.129 8.528 7.150 1.00 0.00 N ATOM 532 CA VAL A 38 -12.481 9.692 6.349 1.00 0.00 C ATOM 533 C VAL A 38 -13.739 10.363 6.900 1.00 0.00 C ATOM 534 O VAL A 38 -14.440 9.789 7.734 1.00 0.00 O ATOM 535 CB VAL A 38 -12.700 9.303 4.871 1.00 0.00 C ATOM 536 CG1 VAL A 38 -13.886 8.363 4.728 1.00 0.00 C ATOM 537 CG2 VAL A 38 -12.883 10.539 4.005 1.00 0.00 C ATOM 0 H VAL A 38 -12.572 7.660 6.848 1.00 0.00 H new ATOM 0 HA VAL A 38 -11.650 10.396 6.403 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.809 8.778 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -14.020 8.103 3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.704 7.457 5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -14.786 8.854 5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.035 10.238 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.751 11.101 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.994 11.166 4.074 1.00 0.00 H new ATOM 547 N MET A 39 -14.018 11.580 6.442 1.00 0.00 N ATOM 548 CA MET A 39 -15.188 12.320 6.905 1.00 0.00 C ATOM 549 C MET A 39 -16.469 11.516 6.700 1.00 0.00 C ATOM 550 O MET A 39 -17.457 11.717 7.406 1.00 0.00 O ATOM 551 CB MET A 39 -15.292 13.660 6.175 1.00 0.00 C ATOM 552 CG MET A 39 -13.970 14.403 6.074 1.00 0.00 C ATOM 553 SD MET A 39 -14.172 16.194 6.139 1.00 0.00 S ATOM 554 CE MET A 39 -14.616 16.546 4.440 1.00 0.00 C ATOM 0 H MET A 39 -13.451 12.074 5.752 1.00 0.00 H new ATOM 0 HA MET A 39 -15.066 12.501 7.973 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.680 13.488 5.171 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.015 14.291 6.692 1.00 0.00 H new ATOM 0 HG2 MET A 39 -13.316 14.085 6.886 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.475 14.131 5.142 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.774 17.618 4.320 1.00 0.00 H new ATOM 0 HE2 MET A 39 -13.812 16.222 3.779 1.00 0.00 H new ATOM 0 HE3 MET A 39 -15.532 16.013 4.185 1.00 0.00 H new ATOM 564 N LYS A 40 -16.446 10.602 5.736 1.00 0.00 N ATOM 565 CA LYS A 40 -17.608 9.768 5.453 1.00 0.00 C ATOM 566 C LYS A 40 -17.743 8.661 6.493 1.00 0.00 C ATOM 567 O LYS A 40 -18.588 8.733 7.386 1.00 0.00 O ATOM 568 CB LYS A 40 -17.498 9.161 4.053 1.00 0.00 C ATOM 569 CG LYS A 40 -17.704 10.169 2.934 1.00 0.00 C ATOM 570 CD LYS A 40 -19.158 10.224 2.493 1.00 0.00 C ATOM 571 CE LYS A 40 -19.529 9.017 1.647 1.00 0.00 C ATOM 572 NZ LYS A 40 -18.960 9.106 0.274 1.00 0.00 N ATOM 0 H LYS A 40 -15.639 10.420 5.140 1.00 0.00 H new ATOM 0 HA LYS A 40 -18.498 10.396 5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.515 8.703 3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.235 8.364 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.387 11.156 3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.075 9.904 2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.804 10.268 3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.332 11.137 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.169 8.109 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.614 8.936 1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.344 8.337 -0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.213 10.022 -0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.925 9.021 0.321 1.00 0.00 H new ATOM 586 N MET A 41 -16.902 7.639 6.373 1.00 0.00 N ATOM 587 CA MET A 41 -16.920 6.516 7.302 1.00 0.00 C ATOM 588 C MET A 41 -15.536 5.883 7.413 1.00 0.00 C ATOM 589 O MET A 41 -14.572 6.368 6.820 1.00 0.00 O ATOM 590 CB MET A 41 -17.939 5.468 6.850 1.00 0.00 C ATOM 591 CG MET A 41 -19.313 5.647 7.476 1.00 0.00 C ATOM 592 SD MET A 41 -19.280 5.515 9.274 1.00 0.00 S ATOM 593 CE MET A 41 -19.988 3.887 9.507 1.00 0.00 C ATOM 0 H MET A 41 -16.198 7.566 5.639 1.00 0.00 H new ATOM 0 HA MET A 41 -17.209 6.892 8.283 1.00 0.00 H new ATOM 0 HB2 MET A 41 -18.035 5.510 5.765 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.562 4.476 7.098 1.00 0.00 H new ATOM 0 HG2 MET A 41 -19.712 6.621 7.194 1.00 0.00 H new ATOM 0 HG3 MET A 41 -19.992 4.896 7.073 1.00 0.00 H new ATOM 0 HE1 MET A 41 -20.034 3.659 10.572 1.00 0.00 H new ATOM 0 HE2 MET A 41 -20.993 3.864 9.087 1.00 0.00 H new ATOM 0 HE3 MET A 41 -19.368 3.145 9.004 1.00 0.00 H new ATOM 603 N ILE A 42 -15.444 4.797 8.173 1.00 0.00 N ATOM 604 CA ILE A 42 -14.178 4.097 8.357 1.00 0.00 C ATOM 605 C ILE A 42 -13.901 3.158 7.187 1.00 0.00 C ATOM 606 O ILE A 42 -14.825 2.598 6.597 1.00 0.00 O ATOM 607 CB ILE A 42 -14.168 3.287 9.671 1.00 0.00 C ATOM 608 CG1 ILE A 42 -12.814 2.601 9.871 1.00 0.00 C ATOM 609 CG2 ILE A 42 -15.292 2.261 9.672 1.00 0.00 C ATOM 610 CD1 ILE A 42 -11.644 3.560 9.886 1.00 0.00 C ATOM 0 H ILE A 42 -16.231 4.382 8.672 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.397 4.856 8.405 1.00 0.00 H new ATOM 0 HB ILE A 42 -14.329 3.976 10.501 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -12.832 2.048 10.810 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.665 1.872 9.075 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.270 1.699 10.605 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -16.251 2.771 9.578 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.161 1.577 8.833 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.719 3.003 10.032 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.600 4.095 8.937 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -11.769 4.274 10.700 1.00 0.00 H new ATOM 622 N MET A 43 -12.625 2.990 6.855 1.00 0.00 N ATOM 623 CA MET A 43 -12.233 2.119 5.754 1.00 0.00 C ATOM 624 C MET A 43 -10.914 1.414 6.053 1.00 0.00 C ATOM 625 O MET A 43 -10.153 1.840 6.921 1.00 0.00 O ATOM 626 CB MET A 43 -12.112 2.923 4.458 1.00 0.00 C ATOM 627 CG MET A 43 -13.452 3.315 3.857 1.00 0.00 C ATOM 628 SD MET A 43 -14.157 2.015 2.825 1.00 0.00 S ATOM 629 CE MET A 43 -15.898 2.423 2.910 1.00 0.00 C ATOM 0 H MET A 43 -11.846 3.445 7.332 1.00 0.00 H new ATOM 0 HA MET A 43 -13.007 1.361 5.634 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.533 3.826 4.653 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.553 2.337 3.728 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.150 3.555 4.659 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.328 4.219 3.261 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.469 1.707 2.319 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.230 2.385 3.947 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.056 3.427 2.515 1.00 0.00 H new ATOM 639 N THR A 44 -10.652 0.331 5.326 1.00 0.00 N ATOM 640 CA THR A 44 -9.426 -0.438 5.510 1.00 0.00 C ATOM 641 C THR A 44 -8.607 -0.470 4.224 1.00 0.00 C ATOM 642 O THR A 44 -9.137 -0.741 3.146 1.00 0.00 O ATOM 643 CB THR A 44 -9.753 -1.867 5.954 1.00 0.00 C ATOM 644 OG1 THR A 44 -11.112 -1.977 6.338 1.00 0.00 O ATOM 645 CG2 THR A 44 -8.909 -2.341 7.116 1.00 0.00 C ATOM 0 H THR A 44 -11.273 -0.033 4.604 1.00 0.00 H new ATOM 0 HA THR A 44 -8.836 0.049 6.286 1.00 0.00 H new ATOM 0 HB THR A 44 -9.536 -2.493 5.088 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.300 -2.898 6.616 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.192 -3.360 7.379 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.856 -2.318 6.834 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.069 -1.687 7.973 1.00 0.00 H new ATOM 653 N LEU A 45 -7.312 -0.199 4.345 1.00 0.00 N ATOM 654 CA LEU A 45 -6.421 -0.203 3.192 1.00 0.00 C ATOM 655 C LEU A 45 -5.780 -1.576 3.015 1.00 0.00 C ATOM 656 O LEU A 45 -5.310 -2.180 3.979 1.00 0.00 O ATOM 657 CB LEU A 45 -5.336 0.864 3.353 1.00 0.00 C ATOM 658 CG LEU A 45 -5.855 2.290 3.544 1.00 0.00 C ATOM 659 CD1 LEU A 45 -6.042 2.596 5.022 1.00 0.00 C ATOM 660 CD2 LEU A 45 -4.904 3.293 2.907 1.00 0.00 C ATOM 0 H LEU A 45 -6.857 0.026 5.230 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.010 0.025 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.714 0.602 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.693 0.842 2.473 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.824 2.373 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.412 3.615 5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.761 1.898 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.087 2.495 5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.289 4.302 3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.922 3.209 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.819 3.087 1.840 1.00 0.00 H new ATOM 672 N ASN A 46 -5.768 -2.066 1.780 1.00 0.00 N ATOM 673 CA ASN A 46 -5.188 -3.371 1.483 1.00 0.00 C ATOM 674 C ASN A 46 -4.210 -3.284 0.317 1.00 0.00 C ATOM 675 O ASN A 46 -4.097 -2.247 -0.337 1.00 0.00 O ATOM 676 CB ASN A 46 -6.292 -4.381 1.163 1.00 0.00 C ATOM 677 CG ASN A 46 -7.182 -3.923 0.025 1.00 0.00 C ATOM 678 OD1 ASN A 46 -7.052 -4.390 -1.107 1.00 0.00 O ATOM 679 ND2 ASN A 46 -8.093 -3.003 0.319 1.00 0.00 N ATOM 0 H ASN A 46 -6.153 -1.580 0.970 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.641 -3.705 2.365 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.841 -5.339 0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.900 -4.545 2.053 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.720 -2.656 -0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.166 -2.643 1.271 1.00 0.00 H new ATOM 686 N VAL A 47 -3.504 -4.381 0.063 1.00 0.00 N ATOM 687 CA VAL A 47 -2.533 -4.432 -1.023 1.00 0.00 C ATOM 688 C VAL A 47 -3.164 -4.978 -2.299 1.00 0.00 C ATOM 689 O VAL A 47 -4.100 -5.777 -2.248 1.00 0.00 O ATOM 690 CB VAL A 47 -1.321 -5.306 -0.650 1.00 0.00 C ATOM 691 CG1 VAL A 47 -0.549 -4.687 0.504 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.769 -6.719 -0.305 1.00 0.00 C ATOM 0 H VAL A 47 -3.587 -5.247 0.595 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.197 -3.410 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.656 -5.360 -1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.303 -5.319 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.195 -3.697 0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.201 -4.600 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.900 -7.323 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.456 -6.687 0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.273 -7.161 -1.165 1.00 0.00 H new ATOM 702 N GLN A 48 -2.645 -4.544 -3.442 1.00 0.00 N ATOM 703 CA GLN A 48 -3.159 -4.992 -4.733 1.00 0.00 C ATOM 704 C GLN A 48 -2.495 -6.296 -5.172 1.00 0.00 C ATOM 705 O GLN A 48 -2.980 -6.973 -6.078 1.00 0.00 O ATOM 706 CB GLN A 48 -2.953 -3.913 -5.802 1.00 0.00 C ATOM 707 CG GLN A 48 -1.588 -3.243 -5.755 1.00 0.00 C ATOM 708 CD GLN A 48 -0.444 -4.236 -5.808 1.00 0.00 C ATOM 709 OE1 GLN A 48 -0.217 -4.885 -6.828 1.00 0.00 O ATOM 710 NE2 GLN A 48 0.285 -4.358 -4.705 1.00 0.00 N ATOM 0 H GLN A 48 -1.870 -3.884 -3.502 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.227 -5.174 -4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.092 -4.361 -6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.724 -3.151 -5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.500 -2.549 -6.591 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.509 -2.653 -4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.061 -3.800 -3.881 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.069 -5.010 -4.681 1.00 0.00 H new ATOM 719 N GLU A 49 -1.384 -6.647 -4.527 1.00 0.00 N ATOM 720 CA GLU A 49 -0.664 -7.871 -4.859 1.00 0.00 C ATOM 721 C GLU A 49 0.139 -8.373 -3.663 1.00 0.00 C ATOM 722 O GLU A 49 0.278 -7.675 -2.659 1.00 0.00 O ATOM 723 CB GLU A 49 0.267 -7.634 -6.049 1.00 0.00 C ATOM 724 CG GLU A 49 -0.448 -7.631 -7.390 1.00 0.00 C ATOM 725 CD GLU A 49 0.501 -7.436 -8.556 1.00 0.00 C ATOM 726 OE1 GLU A 49 1.046 -6.321 -8.698 1.00 0.00 O ATOM 727 OE2 GLU A 49 0.699 -8.398 -9.328 1.00 0.00 O ATOM 0 H GLU A 49 -0.965 -6.102 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.398 -8.632 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.777 -6.680 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.035 -8.407 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.982 -8.573 -7.515 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.195 -6.837 -7.398 1.00 0.00 H new ATOM 734 N ARG A 50 0.667 -9.587 -3.780 1.00 0.00 N ATOM 735 CA ARG A 50 1.457 -10.184 -2.710 1.00 0.00 C ATOM 736 C ARG A 50 2.784 -9.450 -2.539 1.00 0.00 C ATOM 737 O ARG A 50 3.463 -9.139 -3.517 1.00 0.00 O ATOM 738 CB ARG A 50 1.714 -11.664 -3.001 1.00 0.00 C ATOM 739 CG ARG A 50 0.543 -12.566 -2.645 1.00 0.00 C ATOM 740 CD ARG A 50 -0.470 -12.635 -3.776 1.00 0.00 C ATOM 741 NE ARG A 50 0.005 -13.457 -4.886 1.00 0.00 N ATOM 742 CZ ARG A 50 -0.647 -13.594 -6.039 1.00 0.00 C ATOM 743 NH1 ARG A 50 -1.800 -12.966 -6.236 1.00 0.00 N ATOM 744 NH2 ARG A 50 -0.145 -14.361 -6.997 1.00 0.00 N ATOM 0 H ARG A 50 0.562 -10.177 -4.606 1.00 0.00 H new ATOM 0 HA ARG A 50 0.891 -10.096 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.945 -11.783 -4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.594 -11.988 -2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.909 -13.568 -2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.058 -12.195 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.408 -13.042 -3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.682 -11.628 -4.135 1.00 0.00 H new ATOM 0 HE ARG A 50 0.888 -13.955 -4.771 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.191 -12.375 -5.502 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.295 -13.075 -7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.740 -14.846 -6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.644 -14.466 -7.880 1.00 0.00 H new ATOM 758 N GLY A 51 3.146 -9.177 -1.290 1.00 0.00 N ATOM 759 CA GLY A 51 4.390 -8.482 -1.014 1.00 0.00 C ATOM 760 C GLY A 51 4.419 -7.875 0.375 1.00 0.00 C ATOM 761 O GLY A 51 3.435 -7.945 1.112 1.00 0.00 O ATOM 0 H GLY A 51 2.601 -9.424 -0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.223 -9.177 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.535 -7.695 -1.754 1.00 0.00 H new ATOM 765 N ARG A 52 5.550 -7.275 0.733 1.00 0.00 N ATOM 766 CA ARG A 52 5.703 -6.652 2.042 1.00 0.00 C ATOM 767 C ARG A 52 5.386 -5.162 1.974 1.00 0.00 C ATOM 768 O ARG A 52 6.015 -4.417 1.222 1.00 0.00 O ATOM 769 CB ARG A 52 7.125 -6.861 2.568 1.00 0.00 C ATOM 770 CG ARG A 52 7.260 -8.060 3.494 1.00 0.00 C ATOM 771 CD ARG A 52 8.309 -9.040 2.992 1.00 0.00 C ATOM 772 NE ARG A 52 9.658 -8.483 3.062 1.00 0.00 N ATOM 773 CZ ARG A 52 10.766 -9.199 2.885 1.00 0.00 C ATOM 774 NH1 ARG A 52 10.690 -10.499 2.627 1.00 0.00 N ATOM 775 NH2 ARG A 52 11.953 -8.613 2.965 1.00 0.00 N ATOM 0 H ARG A 52 6.373 -7.207 0.135 1.00 0.00 H new ATOM 0 HA ARG A 52 4.999 -7.124 2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.802 -6.987 1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.443 -5.964 3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.528 -7.720 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.298 -8.566 3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.263 -9.954 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.084 -9.316 1.962 1.00 0.00 H new ATOM 0 HE ARG A 52 9.756 -7.487 3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.779 -10.954 2.564 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.542 -11.043 2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.016 -7.614 3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.803 -9.161 2.829 1.00 0.00 H new ATOM 789 N VAL A 53 4.406 -4.734 2.762 1.00 0.00 N ATOM 790 CA VAL A 53 4.005 -3.333 2.790 1.00 0.00 C ATOM 791 C VAL A 53 4.925 -2.515 3.689 1.00 0.00 C ATOM 792 O VAL A 53 5.170 -2.880 4.839 1.00 0.00 O ATOM 793 CB VAL A 53 2.553 -3.174 3.280 1.00 0.00 C ATOM 794 CG1 VAL A 53 2.096 -1.730 3.141 1.00 0.00 C ATOM 795 CG2 VAL A 53 1.628 -4.109 2.517 1.00 0.00 C ATOM 0 H VAL A 53 3.875 -5.337 3.390 1.00 0.00 H new ATOM 0 HA VAL A 53 4.078 -2.963 1.767 1.00 0.00 H new ATOM 0 HB VAL A 53 2.514 -3.442 4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.068 -1.638 3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.742 -1.085 3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.150 -1.430 2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.607 -3.983 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.670 -3.874 1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.943 -5.141 2.674 1.00 0.00 H new ATOM 805 N LYS A 54 5.429 -1.407 3.158 1.00 0.00 N ATOM 806 CA LYS A 54 6.321 -0.534 3.912 1.00 0.00 C ATOM 807 C LYS A 54 5.685 0.836 4.123 1.00 0.00 C ATOM 808 O LYS A 54 5.531 1.611 3.180 1.00 0.00 O ATOM 809 CB LYS A 54 7.658 -0.382 3.184 1.00 0.00 C ATOM 810 CG LYS A 54 8.218 -1.695 2.660 1.00 0.00 C ATOM 811 CD LYS A 54 9.726 -1.626 2.483 1.00 0.00 C ATOM 812 CE LYS A 54 10.104 -0.866 1.222 1.00 0.00 C ATOM 813 NZ LYS A 54 9.867 -1.675 -0.006 1.00 0.00 N ATOM 0 H LYS A 54 5.235 -1.092 2.208 1.00 0.00 H new ATOM 0 HA LYS A 54 6.498 -0.989 4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.532 0.308 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.383 0.068 3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.968 -2.500 3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.749 -1.937 1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.173 -1.140 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.135 -2.635 2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.525 0.056 1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.155 -0.580 1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.305 -1.203 -0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.286 -2.619 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.844 -1.768 -0.168 1.00 0.00 H new ATOM 827 N TYR A 55 5.311 1.124 5.365 1.00 0.00 N ATOM 828 CA TYR A 55 4.686 2.398 5.702 1.00 0.00 C ATOM 829 C TYR A 55 5.584 3.573 5.323 1.00 0.00 C ATOM 830 O TYR A 55 6.786 3.561 5.590 1.00 0.00 O ATOM 831 CB TYR A 55 4.365 2.451 7.196 1.00 0.00 C ATOM 832 CG TYR A 55 3.019 1.858 7.548 1.00 0.00 C ATOM 833 CD1 TYR A 55 2.597 0.661 6.983 1.00 0.00 C ATOM 834 CD2 TYR A 55 2.170 2.496 8.443 1.00 0.00 C ATOM 835 CE1 TYR A 55 1.368 0.116 7.301 1.00 0.00 C ATOM 836 CE2 TYR A 55 0.939 1.957 8.767 1.00 0.00 C ATOM 837 CZ TYR A 55 0.543 0.768 8.193 1.00 0.00 C ATOM 838 OH TYR A 55 -0.682 0.228 8.512 1.00 0.00 O ATOM 0 H TYR A 55 5.430 0.491 6.156 1.00 0.00 H new ATOM 0 HA TYR A 55 3.761 2.477 5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.142 1.919 7.745 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.394 3.489 7.529 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.240 0.148 6.284 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.477 3.429 8.893 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.055 -0.816 6.853 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.291 2.465 9.466 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.707 -0.712 8.235 1.00 0.00 H new ATOM 848 N ILE A 56 4.988 4.589 4.707 1.00 0.00 N ATOM 849 CA ILE A 56 5.727 5.779 4.299 1.00 0.00 C ATOM 850 C ILE A 56 5.413 6.947 5.229 1.00 0.00 C ATOM 851 O ILE A 56 6.302 7.494 5.881 1.00 0.00 O ATOM 852 CB ILE A 56 5.401 6.168 2.833 1.00 0.00 C ATOM 853 CG1 ILE A 56 6.329 5.429 1.864 1.00 0.00 C ATOM 854 CG2 ILE A 56 5.515 7.674 2.620 1.00 0.00 C ATOM 855 CD1 ILE A 56 6.366 3.932 2.076 1.00 0.00 C ATOM 0 H ILE A 56 3.994 4.612 4.479 1.00 0.00 H new ATOM 0 HA ILE A 56 6.790 5.548 4.363 1.00 0.00 H new ATOM 0 HB ILE A 56 4.371 5.874 2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.010 5.634 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.339 5.826 1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.280 7.914 1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.815 8.189 3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.531 7.998 2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.044 3.479 1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.715 3.716 3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.365 3.521 1.942 1.00 0.00 H new ATOM 867 N LYS A 57 4.142 7.319 5.280 1.00 0.00 N ATOM 868 CA LYS A 57 3.697 8.419 6.124 1.00 0.00 C ATOM 869 C LYS A 57 3.730 8.024 7.598 1.00 0.00 C ATOM 870 O LYS A 57 3.897 6.851 7.933 1.00 0.00 O ATOM 871 CB LYS A 57 2.285 8.838 5.720 1.00 0.00 C ATOM 872 CG LYS A 57 2.220 10.207 5.063 1.00 0.00 C ATOM 873 CD LYS A 57 2.723 11.297 5.995 1.00 0.00 C ATOM 874 CE LYS A 57 2.549 12.678 5.383 1.00 0.00 C ATOM 875 NZ LYS A 57 1.117 13.085 5.330 1.00 0.00 N ATOM 0 H LYS A 57 3.398 6.873 4.744 1.00 0.00 H new ATOM 0 HA LYS A 57 4.376 9.260 5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.877 8.096 5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.648 8.838 6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.817 10.203 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.192 10.423 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.183 11.246 6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.776 11.128 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.112 13.407 5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.966 12.684 4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.890 13.433 4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.515 12.266 5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.945 13.840 6.025 1.00 0.00 H new ATOM 889 N ARG A 58 3.569 9.011 8.474 1.00 0.00 N ATOM 890 CA ARG A 58 3.580 8.767 9.912 1.00 0.00 C ATOM 891 C ARG A 58 2.163 8.540 10.436 1.00 0.00 C ATOM 892 O ARG A 58 1.184 8.830 9.748 1.00 0.00 O ATOM 893 CB ARG A 58 4.226 9.946 10.644 1.00 0.00 C ATOM 894 CG ARG A 58 5.692 9.723 10.979 1.00 0.00 C ATOM 895 CD ARG A 58 6.546 9.658 9.724 1.00 0.00 C ATOM 896 NE ARG A 58 7.938 10.013 9.991 1.00 0.00 N ATOM 897 CZ ARG A 58 8.342 11.239 10.315 1.00 0.00 C ATOM 898 NH1 ARG A 58 7.464 12.230 10.414 1.00 0.00 N ATOM 899 NH2 ARG A 58 9.627 11.476 10.541 1.00 0.00 N ATOM 0 H ARG A 58 3.429 9.987 8.213 1.00 0.00 H new ATOM 0 HA ARG A 58 4.165 7.867 10.100 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.134 10.840 10.027 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.676 10.137 11.566 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.047 10.530 11.620 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.801 8.796 11.543 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.502 8.652 9.307 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.137 10.333 8.972 1.00 0.00 H new ATOM 0 HE ARG A 58 8.642 9.278 9.925 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.474 12.054 10.241 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.779 13.168 10.663 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.306 10.719 10.467 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.936 12.416 10.789 1.00 0.00 H new ATOM 913 N PRO A 59 2.035 8.016 11.668 1.00 0.00 N ATOM 914 CA PRO A 59 0.730 7.752 12.282 1.00 0.00 C ATOM 915 C PRO A 59 -0.035 9.036 12.584 1.00 0.00 C ATOM 916 O PRO A 59 0.520 9.987 13.134 1.00 0.00 O ATOM 917 CB PRO A 59 1.083 7.020 13.580 1.00 0.00 C ATOM 918 CG PRO A 59 2.479 7.440 13.886 1.00 0.00 C ATOM 919 CD PRO A 59 3.150 7.642 12.557 1.00 0.00 C ATOM 0 HA PRO A 59 0.078 7.179 11.622 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.402 7.293 14.386 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.013 5.939 13.456 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.491 8.358 14.473 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.996 6.680 14.473 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.907 8.425 12.603 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.649 6.735 12.216 1.00 0.00 H new ATOM 927 N GLY A 60 -1.313 9.055 12.220 1.00 0.00 N ATOM 928 CA GLY A 60 -2.137 10.227 12.457 1.00 0.00 C ATOM 929 C GLY A 60 -2.129 11.196 11.288 1.00 0.00 C ATOM 930 O GLY A 60 -3.039 12.013 11.148 1.00 0.00 O ATOM 0 H GLY A 60 -1.794 8.279 11.765 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.161 9.912 12.655 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.783 10.740 13.351 1.00 0.00 H new ATOM 934 N ALA A 61 -1.100 11.109 10.450 1.00 0.00 N ATOM 935 CA ALA A 61 -0.977 11.986 9.291 1.00 0.00 C ATOM 936 C ALA A 61 -2.202 11.888 8.387 1.00 0.00 C ATOM 937 O ALA A 61 -2.726 10.800 8.150 1.00 0.00 O ATOM 938 CB ALA A 61 0.284 11.652 8.510 1.00 0.00 C ATOM 0 H ALA A 61 -0.338 10.439 10.553 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.910 13.012 9.652 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.364 12.314 7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.155 11.785 9.151 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.238 10.617 8.170 1.00 0.00 H new ATOM 944 N VAL A 62 -2.650 13.033 7.882 1.00 0.00 N ATOM 945 CA VAL A 62 -3.809 13.077 6.999 1.00 0.00 C ATOM 946 C VAL A 62 -3.434 12.649 5.584 1.00 0.00 C ATOM 947 O VAL A 62 -2.492 13.179 4.994 1.00 0.00 O ATOM 948 CB VAL A 62 -4.433 14.486 6.953 1.00 0.00 C ATOM 949 CG1 VAL A 62 -4.946 14.888 8.327 1.00 0.00 C ATOM 950 CG2 VAL A 62 -3.427 15.504 6.433 1.00 0.00 C ATOM 0 H VAL A 62 -2.228 13.942 8.069 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.543 12.381 7.405 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.279 14.464 6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.383 15.885 8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.704 14.177 8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.119 14.891 9.038 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.888 16.491 6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.558 15.525 7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.114 15.225 5.427 1.00 0.00 H new ATOM 960 N LEU A 63 -4.175 11.687 5.044 1.00 0.00 N ATOM 961 CA LEU A 63 -3.916 11.190 3.698 1.00 0.00 C ATOM 962 C LEU A 63 -4.583 12.075 2.651 1.00 0.00 C ATOM 963 O LEU A 63 -5.597 12.719 2.921 1.00 0.00 O ATOM 964 CB LEU A 63 -4.414 9.749 3.557 1.00 0.00 C ATOM 965 CG LEU A 63 -3.768 8.739 4.509 1.00 0.00 C ATOM 966 CD1 LEU A 63 -2.253 8.881 4.496 1.00 0.00 C ATOM 967 CD2 LEU A 63 -4.310 8.916 5.918 1.00 0.00 C ATOM 0 H LEU A 63 -4.958 11.237 5.517 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.839 11.213 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.492 9.737 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.241 9.420 2.532 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.019 7.735 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.814 8.154 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.880 8.703 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.979 9.888 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.841 8.190 6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.090 9.924 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.389 8.760 5.915 1.00 0.00 H new ATOM 979 N GLU A 64 -4.006 12.101 1.454 1.00 0.00 N ATOM 980 CA GLU A 64 -4.544 12.905 0.363 1.00 0.00 C ATOM 981 C GLU A 64 -4.792 12.045 -0.872 1.00 0.00 C ATOM 982 O GLU A 64 -4.158 11.006 -1.055 1.00 0.00 O ATOM 983 CB GLU A 64 -3.582 14.045 0.020 1.00 0.00 C ATOM 984 CG GLU A 64 -3.045 14.775 1.240 1.00 0.00 C ATOM 985 CD GLU A 64 -2.619 16.196 0.928 1.00 0.00 C ATOM 986 OE1 GLU A 64 -3.464 16.975 0.439 1.00 0.00 O ATOM 987 OE2 GLU A 64 -1.440 16.529 1.171 1.00 0.00 O ATOM 0 H GLU A 64 -3.166 11.574 1.215 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.495 13.327 0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.745 13.643 -0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.094 14.760 -0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.811 14.791 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.195 14.225 1.643 1.00 0.00 H new ATOM 994 N ALA A 65 -5.720 12.484 -1.717 1.00 0.00 N ATOM 995 CA ALA A 65 -6.051 11.753 -2.933 1.00 0.00 C ATOM 996 C ALA A 65 -4.842 11.648 -3.856 1.00 0.00 C ATOM 997 O ALA A 65 -4.603 12.524 -4.686 1.00 0.00 O ATOM 998 CB ALA A 65 -7.209 12.426 -3.654 1.00 0.00 C ATOM 0 H ALA A 65 -6.255 13.342 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.350 10.743 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.446 11.869 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.082 12.445 -3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.930 13.446 -3.917 1.00 0.00 H new ATOM 1004 N GLY A 66 -4.081 10.568 -3.704 1.00 0.00 N ATOM 1005 CA GLY A 66 -2.904 10.368 -4.531 1.00 0.00 C ATOM 1006 C GLY A 66 -1.630 10.241 -3.718 1.00 0.00 C ATOM 1007 O GLY A 66 -0.612 9.765 -4.220 1.00 0.00 O ATOM 0 H GLY A 66 -4.258 9.829 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.037 9.469 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.806 11.204 -5.224 1.00 0.00 H new ATOM 1011 N CYS A 67 -1.681 10.669 -2.459 1.00 0.00 N ATOM 1012 CA CYS A 67 -0.519 10.599 -1.582 1.00 0.00 C ATOM 1013 C CYS A 67 -0.118 9.150 -1.321 1.00 0.00 C ATOM 1014 O CYS A 67 -0.970 8.266 -1.239 1.00 0.00 O ATOM 1015 CB CYS A 67 -0.811 11.305 -0.257 1.00 0.00 C ATOM 1016 SG CYS A 67 0.598 11.364 0.875 1.00 0.00 S ATOM 0 H CYS A 67 -2.514 11.067 -2.025 1.00 0.00 H new ATOM 0 HA CYS A 67 0.310 11.102 -2.080 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.139 12.323 -0.465 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.640 10.798 0.238 1.00 0.00 H new ATOM 0 HG CYS A 67 0.253 11.982 1.965 1.00 0.00 H new ATOM 1022 N VAL A 68 1.184 8.916 -1.193 1.00 0.00 N ATOM 1023 CA VAL A 68 1.698 7.575 -0.943 1.00 0.00 C ATOM 1024 C VAL A 68 1.601 7.217 0.536 1.00 0.00 C ATOM 1025 O VAL A 68 2.374 7.709 1.358 1.00 0.00 O ATOM 1026 CB VAL A 68 3.163 7.440 -1.400 1.00 0.00 C ATOM 1027 CG1 VAL A 68 3.634 5.999 -1.272 1.00 0.00 C ATOM 1028 CG2 VAL A 68 3.322 7.937 -2.830 1.00 0.00 C ATOM 0 H VAL A 68 1.902 9.638 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 68 1.082 6.886 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 68 3.785 8.058 -0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.671 5.925 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.559 5.683 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.010 5.356 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.363 7.835 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.688 7.347 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.029 8.985 -2.886 1.00 0.00 H new ATOM 1038 N VAL A 69 0.643 6.358 0.867 1.00 0.00 N ATOM 1039 CA VAL A 69 0.437 5.931 2.245 1.00 0.00 C ATOM 1040 C VAL A 69 1.386 4.801 2.630 1.00 0.00 C ATOM 1041 O VAL A 69 1.652 4.580 3.811 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.011 5.461 2.478 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -1.962 6.648 2.527 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -1.433 4.472 1.401 1.00 0.00 C ATOM 0 H VAL A 69 -0.005 5.943 0.197 1.00 0.00 H new ATOM 0 HA VAL A 69 0.641 6.800 2.870 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.055 4.954 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.979 6.293 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.673 7.313 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.916 7.190 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.459 4.152 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.370 4.950 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.773 3.605 1.424 1.00 0.00 H new ATOM 1054 N ALA A 70 1.888 4.078 1.632 1.00 0.00 N ATOM 1055 CA ALA A 70 2.795 2.967 1.886 1.00 0.00 C ATOM 1056 C ALA A 70 3.497 2.513 0.609 1.00 0.00 C ATOM 1057 O ALA A 70 3.501 3.223 -0.397 1.00 0.00 O ATOM 1058 CB ALA A 70 2.030 1.809 2.507 1.00 0.00 C ATOM 0 H ALA A 70 1.682 4.242 0.646 1.00 0.00 H new ATOM 0 HA ALA A 70 3.563 3.308 2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.713 0.981 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.583 2.131 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.245 1.484 1.824 1.00 0.00 H new ATOM 1064 N ARG A 71 4.090 1.323 0.660 1.00 0.00 N ATOM 1065 CA ARG A 71 4.797 0.764 -0.487 1.00 0.00 C ATOM 1066 C ARG A 71 4.535 -0.735 -0.599 1.00 0.00 C ATOM 1067 O ARG A 71 3.801 -1.307 0.206 1.00 0.00 O ATOM 1068 CB ARG A 71 6.299 1.023 -0.362 1.00 0.00 C ATOM 1069 CG ARG A 71 6.719 2.408 -0.825 1.00 0.00 C ATOM 1070 CD ARG A 71 6.641 2.536 -2.338 1.00 0.00 C ATOM 1071 NE ARG A 71 7.950 2.391 -2.969 1.00 0.00 N ATOM 1072 CZ ARG A 71 8.862 3.360 -3.014 1.00 0.00 C ATOM 1073 NH1 ARG A 71 8.612 4.543 -2.467 1.00 0.00 N ATOM 1074 NH2 ARG A 71 10.028 3.145 -3.608 1.00 0.00 N ATOM 0 H ARG A 71 4.094 0.726 1.487 1.00 0.00 H new ATOM 0 HA ARG A 71 4.427 1.252 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.596 0.891 0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.838 0.276 -0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.078 3.158 -0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.737 2.611 -0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.963 1.778 -2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.219 3.507 -2.598 1.00 0.00 H new ATOM 0 HE ARG A 71 8.179 1.495 -3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.717 4.714 -2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.315 5.281 -2.505 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.226 2.238 -4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.727 3.887 -3.643 1.00 0.00 H new ATOM 1088 N LEU A 72 5.136 -1.368 -1.602 1.00 0.00 N ATOM 1089 CA LEU A 72 4.960 -2.799 -1.813 1.00 0.00 C ATOM 1090 C LEU A 72 6.252 -3.450 -2.297 1.00 0.00 C ATOM 1091 O LEU A 72 6.797 -3.077 -3.334 1.00 0.00 O ATOM 1092 CB LEU A 72 3.842 -3.050 -2.825 1.00 0.00 C ATOM 1093 CG LEU A 72 2.606 -3.753 -2.264 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.941 -5.180 -1.858 1.00 0.00 C ATOM 1095 CD2 LEU A 72 2.044 -2.978 -1.082 1.00 0.00 C ATOM 0 H LEU A 72 5.748 -0.913 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 72 4.689 -3.247 -0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.536 -2.094 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.241 -3.649 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 72 1.846 -3.789 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.049 -5.664 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.297 -5.732 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.718 -5.168 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.164 -3.492 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.799 -2.911 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.765 -1.975 -1.404 1.00 0.00 H new ATOM 1107 N GLU A 73 6.729 -4.430 -1.540 1.00 0.00 N ATOM 1108 CA GLU A 73 7.951 -5.145 -1.890 1.00 0.00 C ATOM 1109 C GLU A 73 7.632 -6.383 -2.722 1.00 0.00 C ATOM 1110 O GLU A 73 7.636 -7.503 -2.210 1.00 0.00 O ATOM 1111 CB GLU A 73 8.713 -5.545 -0.626 1.00 0.00 C ATOM 1112 CG GLU A 73 10.081 -6.147 -0.905 1.00 0.00 C ATOM 1113 CD GLU A 73 10.946 -5.251 -1.770 1.00 0.00 C ATOM 1114 OE1 GLU A 73 11.428 -4.218 -1.260 1.00 0.00 O ATOM 1115 OE2 GLU A 73 11.141 -5.583 -2.959 1.00 0.00 O ATOM 0 H GLU A 73 6.287 -4.749 -0.678 1.00 0.00 H new ATOM 0 HA GLU A 73 8.577 -4.480 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.834 -4.667 0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.117 -6.264 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.591 -6.336 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.956 -7.111 -1.398 1.00 0.00 H new ATOM 1122 N LEU A 74 7.353 -6.177 -4.004 1.00 0.00 N ATOM 1123 CA LEU A 74 7.028 -7.281 -4.900 1.00 0.00 C ATOM 1124 C LEU A 74 8.206 -8.241 -5.035 1.00 0.00 C ATOM 1125 O LEU A 74 9.240 -7.895 -5.605 1.00 0.00 O ATOM 1126 CB LEU A 74 6.630 -6.750 -6.278 1.00 0.00 C ATOM 1127 CG LEU A 74 5.291 -6.013 -6.327 1.00 0.00 C ATOM 1128 CD1 LEU A 74 4.959 -5.605 -7.754 1.00 0.00 C ATOM 1129 CD2 LEU A 74 4.184 -6.882 -5.749 1.00 0.00 C ATOM 0 H LEU A 74 7.345 -5.258 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 74 6.187 -7.825 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.411 -6.076 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.592 -7.587 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 74 5.372 -5.110 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.003 -5.082 -7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.739 -4.946 -8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.896 -6.494 -8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.238 -6.342 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.103 -7.802 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.416 -7.126 -4.712 1.00 0.00 H new ATOM 1141 N ASP A 75 8.037 -9.449 -4.508 1.00 0.00 N ATOM 1142 CA ASP A 75 9.082 -10.464 -4.570 1.00 0.00 C ATOM 1143 C ASP A 75 9.201 -11.034 -5.981 1.00 0.00 C ATOM 1144 O ASP A 75 8.945 -12.216 -6.209 1.00 0.00 O ATOM 1145 CB ASP A 75 8.791 -11.587 -3.573 1.00 0.00 C ATOM 1146 CG ASP A 75 10.026 -12.402 -3.244 1.00 0.00 C ATOM 1147 OD1 ASP A 75 11.069 -11.796 -2.922 1.00 0.00 O ATOM 1148 OD2 ASP A 75 9.951 -13.648 -3.309 1.00 0.00 O ATOM 0 H ASP A 75 7.186 -9.749 -4.033 1.00 0.00 H new ATOM 0 HA ASP A 75 10.029 -9.994 -4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.386 -11.159 -2.656 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.024 -12.244 -3.983 1.00 0.00 H new ATOM 1153 N ASP A 76 9.590 -10.183 -6.925 1.00 0.00 N ATOM 1154 CA ASP A 76 9.741 -10.601 -8.314 1.00 0.00 C ATOM 1155 C ASP A 76 11.030 -11.391 -8.509 1.00 0.00 C ATOM 1156 O ASP A 76 12.128 -10.852 -8.368 1.00 0.00 O ATOM 1157 CB ASP A 76 9.732 -9.382 -9.238 1.00 0.00 C ATOM 1158 CG ASP A 76 10.766 -8.347 -8.841 1.00 0.00 C ATOM 1159 OD1 ASP A 76 10.557 -7.661 -7.819 1.00 0.00 O ATOM 1160 OD2 ASP A 76 11.785 -8.224 -9.552 1.00 0.00 O ATOM 0 H ASP A 76 9.806 -9.201 -6.754 1.00 0.00 H new ATOM 0 HA ASP A 76 8.900 -11.247 -8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.920 -9.705 -10.262 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.742 -8.926 -9.224 1.00 0.00 H new ATOM 1165 N LEU A 77 10.889 -12.672 -8.833 1.00 0.00 N ATOM 1166 CA LEU A 77 12.041 -13.539 -9.047 1.00 0.00 C ATOM 1167 C LEU A 77 12.538 -13.439 -10.486 1.00 0.00 C ATOM 1168 O LEU A 77 13.732 -13.271 -10.731 1.00 0.00 O ATOM 1169 CB LEU A 77 11.682 -14.990 -8.720 1.00 0.00 C ATOM 1170 CG LEU A 77 12.862 -15.873 -8.310 1.00 0.00 C ATOM 1171 CD1 LEU A 77 13.234 -15.625 -6.856 1.00 0.00 C ATOM 1172 CD2 LEU A 77 12.531 -17.340 -8.536 1.00 0.00 C ATOM 0 H LEU A 77 9.987 -13.133 -8.953 1.00 0.00 H new ATOM 0 HA LEU A 77 12.839 -13.210 -8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.948 -14.994 -7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.201 -15.434 -9.591 1.00 0.00 H new ATOM 0 HG LEU A 77 13.720 -15.614 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.075 -16.262 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.513 -14.579 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.381 -15.856 -6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.381 -17.955 -8.239 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.660 -17.613 -7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.314 -17.506 -9.591 1.00 0.00 H new ATOM 1184 N GLU A 78 11.613 -13.543 -11.434 1.00 0.00 N ATOM 1185 CA GLU A 78 11.956 -13.463 -12.849 1.00 0.00 C ATOM 1186 C GLU A 78 10.708 -13.265 -13.703 1.00 0.00 C ATOM 1187 O GLU A 78 9.591 -13.532 -13.259 1.00 0.00 O ATOM 1188 CB GLU A 78 12.693 -14.731 -13.287 1.00 0.00 C ATOM 1189 CG GLU A 78 13.859 -14.463 -14.225 1.00 0.00 C ATOM 1190 CD GLU A 78 13.442 -14.444 -15.682 1.00 0.00 C ATOM 1191 OE1 GLU A 78 12.712 -15.366 -16.103 1.00 0.00 O ATOM 1192 OE2 GLU A 78 13.847 -13.508 -16.403 1.00 0.00 O ATOM 0 H GLU A 78 10.620 -13.683 -11.248 1.00 0.00 H new ATOM 0 HA GLU A 78 12.609 -12.602 -12.991 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.061 -15.251 -12.403 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.987 -15.400 -13.780 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.314 -13.506 -13.969 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.621 -15.228 -14.079 1.00 0.00 H new ATOM 1199 N HIS A 79 10.905 -12.795 -14.930 1.00 0.00 N ATOM 1200 CA HIS A 79 9.795 -12.560 -15.847 1.00 0.00 C ATOM 1201 C HIS A 79 10.062 -13.208 -17.201 1.00 0.00 C ATOM 1202 O HIS A 79 11.149 -13.072 -17.762 1.00 0.00 O ATOM 1203 CB HIS A 79 9.561 -11.059 -16.024 1.00 0.00 C ATOM 1204 CG HIS A 79 10.803 -10.297 -16.368 1.00 0.00 C ATOM 1205 ND1 HIS A 79 11.093 -9.867 -17.646 1.00 0.00 N ATOM 1206 CD2 HIS A 79 11.835 -9.886 -15.592 1.00 0.00 C ATOM 1207 CE1 HIS A 79 12.249 -9.227 -17.641 1.00 0.00 C ATOM 1208 NE2 HIS A 79 12.718 -9.224 -16.408 1.00 0.00 N ATOM 0 H HIS A 79 11.823 -12.569 -15.313 1.00 0.00 H new ATOM 0 HA HIS A 79 8.900 -13.012 -15.418 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.821 -10.905 -16.809 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.139 -10.654 -15.104 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.943 -10.049 -14.530 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.728 -8.782 -18.500 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.595 -8.798 -16.109 1.00 0.00 H new ATOM 1217 N HIS A 80 9.063 -13.914 -17.721 1.00 0.00 N ATOM 1218 CA HIS A 80 9.191 -14.584 -19.010 1.00 0.00 C ATOM 1219 C HIS A 80 9.384 -13.570 -20.134 1.00 0.00 C ATOM 1220 O HIS A 80 10.492 -13.396 -20.642 1.00 0.00 O ATOM 1221 CB HIS A 80 7.956 -15.442 -19.288 1.00 0.00 C ATOM 1222 CG HIS A 80 7.875 -16.669 -18.433 1.00 0.00 C ATOM 1223 ND1 HIS A 80 8.837 -17.657 -18.442 1.00 0.00 N ATOM 1224 CD2 HIS A 80 6.939 -17.066 -17.538 1.00 0.00 C ATOM 1225 CE1 HIS A 80 8.496 -18.609 -17.592 1.00 0.00 C ATOM 1226 NE2 HIS A 80 7.350 -18.274 -17.030 1.00 0.00 N ATOM 0 H HIS A 80 8.157 -14.037 -17.270 1.00 0.00 H new ATOM 0 HA HIS A 80 10.070 -15.227 -18.971 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.062 -14.839 -19.130 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.959 -15.739 -20.337 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.038 -16.532 -17.273 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.059 -19.508 -17.391 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.850 -18.824 -16.331 1.00 0.00 H new ATOM 1235 N HIS A 81 8.300 -12.905 -20.517 1.00 0.00 N ATOM 1236 CA HIS A 81 8.350 -11.908 -21.581 1.00 0.00 C ATOM 1237 C HIS A 81 8.836 -12.530 -22.887 1.00 0.00 C ATOM 1238 O HIS A 81 9.649 -11.944 -23.601 1.00 0.00 O ATOM 1239 CB HIS A 81 9.267 -10.750 -21.180 1.00 0.00 C ATOM 1240 CG HIS A 81 8.889 -9.444 -21.806 1.00 0.00 C ATOM 1241 ND1 HIS A 81 9.778 -8.665 -22.517 1.00 0.00 N ATOM 1242 CD2 HIS A 81 7.709 -8.779 -21.826 1.00 0.00 C ATOM 1243 CE1 HIS A 81 9.162 -7.578 -22.946 1.00 0.00 C ATOM 1244 NE2 HIS A 81 7.906 -7.624 -22.541 1.00 0.00 N ATOM 0 H HIS A 81 7.376 -13.038 -20.107 1.00 0.00 H new ATOM 0 HA HIS A 81 7.341 -11.526 -21.736 1.00 0.00 H new ATOM 0 HB2 HIS A 81 9.250 -10.642 -20.095 1.00 0.00 H new ATOM 0 HB3 HIS A 81 10.292 -10.995 -21.460 1.00 0.00 H new ATOM 0 HD2 HIS A 81 6.786 -9.098 -21.365 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.609 -6.786 -23.529 1.00 0.00 H new ATOM 0 HE2 HIS A 81 7.197 -6.916 -22.729 1.00 0.00 H new ATOM 1253 N HIS A 82 8.332 -13.722 -23.192 1.00 0.00 N ATOM 1254 CA HIS A 82 8.714 -14.424 -24.411 1.00 0.00 C ATOM 1255 C HIS A 82 10.209 -14.728 -24.418 1.00 0.00 C ATOM 1256 O HIS A 82 10.853 -14.701 -25.467 1.00 0.00 O ATOM 1257 CB HIS A 82 8.345 -13.593 -25.641 1.00 0.00 C ATOM 1258 CG HIS A 82 6.921 -13.132 -25.647 1.00 0.00 C ATOM 1259 ND1 HIS A 82 5.859 -13.966 -25.367 1.00 0.00 N ATOM 1260 CD2 HIS A 82 6.384 -11.915 -25.900 1.00 0.00 C ATOM 1261 CE1 HIS A 82 4.731 -13.283 -25.449 1.00 0.00 C ATOM 1262 NE2 HIS A 82 5.022 -12.036 -25.770 1.00 0.00 N ATOM 0 H HIS A 82 7.658 -14.221 -22.611 1.00 0.00 H new ATOM 0 HA HIS A 82 8.169 -15.368 -24.442 1.00 0.00 H new ATOM 0 HB2 HIS A 82 9.000 -12.723 -25.691 1.00 0.00 H new ATOM 0 HB3 HIS A 82 8.531 -14.184 -26.538 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.926 -11.017 -26.156 1.00 0.00 H new ATOM 0 HE1 HIS A 82 3.740 -13.678 -25.282 1.00 0.00 H new ATOM 0 HE2 HIS A 82 4.345 -11.284 -25.900 1.00 0.00 H new ATOM 1271 N HIS A 83 10.754 -15.018 -23.241 1.00 0.00 N ATOM 1272 CA HIS A 83 12.173 -15.327 -23.111 1.00 0.00 C ATOM 1273 C HIS A 83 12.380 -16.801 -22.775 1.00 0.00 C ATOM 1274 O HIS A 83 11.528 -17.429 -22.146 1.00 0.00 O ATOM 1275 CB HIS A 83 12.811 -14.451 -22.032 1.00 0.00 C ATOM 1276 CG HIS A 83 14.298 -14.601 -21.941 1.00 0.00 C ATOM 1277 ND1 HIS A 83 14.950 -14.943 -20.775 1.00 0.00 N ATOM 1278 CD2 HIS A 83 15.263 -14.455 -22.880 1.00 0.00 C ATOM 1279 CE1 HIS A 83 16.251 -14.999 -21.000 1.00 0.00 C ATOM 1280 NE2 HIS A 83 16.466 -14.708 -22.269 1.00 0.00 N ATOM 0 H HIS A 83 10.234 -15.045 -22.364 1.00 0.00 H new ATOM 0 HA HIS A 83 12.653 -15.120 -24.067 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.571 -13.407 -22.234 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.369 -14.698 -21.067 1.00 0.00 H new ATOM 0 HD2 HIS A 83 15.114 -14.189 -23.916 1.00 0.00 H new ATOM 0 HE1 HIS A 83 17.009 -15.242 -20.270 1.00 0.00 H new ATOM 0 HE2 HIS A 83 17.379 -14.676 -22.723 1.00 0.00 H new ATOM 1289 N HIS A 84 13.516 -17.345 -23.197 1.00 0.00 N ATOM 1290 CA HIS A 84 13.834 -18.745 -22.940 1.00 0.00 C ATOM 1291 C HIS A 84 14.899 -18.871 -21.855 1.00 0.00 C ATOM 1292 O HIS A 84 14.674 -19.635 -20.893 1.00 0.00 O ATOM 1293 CB HIS A 84 14.315 -19.424 -24.224 1.00 0.00 C ATOM 1294 CG HIS A 84 14.433 -20.912 -24.106 1.00 0.00 C ATOM 1295 ND1 HIS A 84 15.585 -21.546 -23.690 1.00 0.00 N ATOM 1296 CD2 HIS A 84 13.533 -21.894 -24.351 1.00 0.00 C ATOM 1297 CE1 HIS A 84 15.389 -22.852 -23.685 1.00 0.00 C ATOM 1298 NE2 HIS A 84 14.153 -23.090 -24.082 1.00 0.00 N ATOM 1299 OXT HIS A 84 15.948 -18.204 -21.977 1.00 0.00 O ATOM 0 H HIS A 84 14.232 -16.838 -23.718 1.00 0.00 H new ATOM 0 HA HIS A 84 12.927 -19.240 -22.593 1.00 0.00 H new ATOM 0 HB2 HIS A 84 13.624 -19.185 -25.032 1.00 0.00 H new ATOM 0 HB3 HIS A 84 15.285 -19.012 -24.502 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.517 -21.762 -24.694 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.117 -23.599 -23.404 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.727 -24.012 -24.174 1.00 0.00 H new TER 1308 HIS A 84