USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 760 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 50 ASN : amide:sc= -0.153 X(o=-0.31,f=0) USER MOD Set 1.2: A 51 HIS : no HD1:sc= -0.152 X(o=-0.31,f=0) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -134:sc= 1.15 (180deg=0) USER MOD Set 2.2: A 47 TYR OH : rot 130:sc= 0.971 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.109 (180deg=-0.49) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 13:sc= 1.05 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 43:sc= 0.112 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.282 X(o=0.28,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.0305 F(o=-2.9!,f=-0.03) USER MOD Single : A 28 GLN : amide:sc= -0.81 K(o=-0.81,f=-2.4) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.0282 K(o=-0.028,f=-9.9!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0253 K(o=-0.025,f=-0.98) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= -0.044 (180deg=-0.379) USER MOD Single : A 49 SER OG : rot -105:sc= 1.19 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.414 K(o=-0.41,f=-3.5!) USER MOD Single : A 56 THR OG1 : rot 50:sc= 0.103 USER MOD Single : A 57 THR OG1 : rot 115:sc= 1.03 USER MOD Single : A 59 SER OG : rot 78:sc= 1.03 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.457 K(o=-0.46,f=-5.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -101:sc= 0.491 (180deg=-1.27!) USER MOD Single : A 75 ASN : amide:sc= -3.64! C(o=-3.6!,f=-6.8!) USER MOD Single : A 78 GLN : amide:sc= -0.0859 X(o=-0.086,f=-0.032) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 89 CYS SG : rot -31:sc=0.000775 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 93 HIS : no HD1:sc= -0.083 K(o=-0.083,f=-3.2!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.0067) USER MOD Single : A 96 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.0014) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.646 17.867 -5.174 1.00 0.00 N ATOM 2 CA MET A 1 -1.216 16.452 -5.240 1.00 0.00 C ATOM 3 C MET A 1 -1.502 15.745 -3.917 1.00 0.00 C ATOM 4 O MET A 1 -0.957 16.112 -2.879 1.00 0.00 O ATOM 5 CB MET A 1 0.276 16.373 -5.589 1.00 0.00 C ATOM 6 CG MET A 1 0.824 14.954 -5.640 1.00 0.00 C ATOM 7 SD MET A 1 2.499 14.876 -6.304 1.00 0.00 S ATOM 8 CE MET A 1 3.359 15.986 -5.192 1.00 0.00 C ATOM 0 H1 MET A 1 -1.445 18.334 -6.081 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.667 17.911 -4.981 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.129 18.352 -4.413 1.00 0.00 H new ATOM 0 HA MET A 1 -1.782 15.947 -6.022 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.438 16.850 -6.556 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.842 16.944 -4.853 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.816 14.530 -4.636 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.166 14.337 -6.252 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.434 15.832 -5.284 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.117 17.017 -5.448 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.050 15.785 -4.166 1.00 0.00 H new ATOM 20 N PRO A 2 -2.364 14.710 -3.954 1.00 0.00 N ATOM 21 CA PRO A 2 -2.807 13.968 -2.757 1.00 0.00 C ATOM 22 C PRO A 2 -1.734 13.042 -2.178 1.00 0.00 C ATOM 23 O PRO A 2 -2.051 12.133 -1.412 1.00 0.00 O ATOM 24 CB PRO A 2 -3.987 13.147 -3.280 1.00 0.00 C ATOM 25 CG PRO A 2 -3.681 12.930 -4.719 1.00 0.00 C ATOM 26 CD PRO A 2 -2.992 14.182 -5.184 1.00 0.00 C ATOM 0 HA PRO A 2 -3.050 14.644 -1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.079 12.201 -2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.929 13.679 -3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.042 12.058 -4.856 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.592 12.750 -5.290 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.250 13.969 -5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.699 14.894 -5.611 1.00 0.00 H new ATOM 34 N THR A 3 -0.480 13.290 -2.558 1.00 0.00 N ATOM 35 CA THR A 3 0.662 12.462 -2.209 1.00 0.00 C ATOM 36 C THR A 3 0.457 10.995 -2.596 1.00 0.00 C ATOM 37 O THR A 3 -0.250 10.239 -1.928 1.00 0.00 O ATOM 38 CB THR A 3 1.057 12.596 -0.724 1.00 0.00 C ATOM 39 OG1 THR A 3 -0.031 12.270 0.152 1.00 0.00 O ATOM 40 CG2 THR A 3 1.545 14.007 -0.423 1.00 0.00 C ATOM 0 H THR A 3 -0.230 14.095 -3.132 1.00 0.00 H new ATOM 0 HA THR A 3 1.496 12.841 -2.799 1.00 0.00 H new ATOM 0 HB THR A 3 1.863 11.885 -0.545 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.743 11.831 -0.359 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.819 14.081 0.630 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.415 14.231 -1.041 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.751 14.721 -0.642 1.00 0.00 H new ATOM 48 N LYS A 4 1.104 10.603 -3.682 1.00 0.00 N ATOM 49 CA LYS A 4 0.969 9.257 -4.221 1.00 0.00 C ATOM 50 C LYS A 4 2.159 8.406 -3.814 1.00 0.00 C ATOM 51 O LYS A 4 2.233 7.216 -4.121 1.00 0.00 O ATOM 52 CB LYS A 4 0.865 9.326 -5.742 1.00 0.00 C ATOM 53 CG LYS A 4 2.014 10.090 -6.378 1.00 0.00 C ATOM 54 CD LYS A 4 1.810 10.263 -7.866 1.00 0.00 C ATOM 55 CE LYS A 4 2.853 11.193 -8.464 1.00 0.00 C ATOM 56 NZ LYS A 4 2.609 11.444 -9.909 1.00 0.00 N ATOM 0 H LYS A 4 1.734 11.204 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 4 0.065 8.799 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.840 8.314 -6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.077 9.802 -6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.107 11.068 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.949 9.559 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.862 9.291 -8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.813 10.662 -8.054 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.846 12.140 -7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.844 10.759 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.342 12.083 -10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.640 10.543 -10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.674 11.882 -10.032 1.00 0.00 H new ATOM 70 N THR A 5 3.087 9.046 -3.128 1.00 0.00 N ATOM 71 CA THR A 5 4.274 8.393 -2.633 1.00 0.00 C ATOM 72 C THR A 5 3.921 7.266 -1.670 1.00 0.00 C ATOM 73 O THR A 5 3.218 7.477 -0.680 1.00 0.00 O ATOM 74 CB THR A 5 5.170 9.411 -1.920 1.00 0.00 C ATOM 75 OG1 THR A 5 4.378 10.210 -1.029 1.00 0.00 O ATOM 76 CG2 THR A 5 5.887 10.305 -2.921 1.00 0.00 C ATOM 0 H THR A 5 3.034 10.039 -2.900 1.00 0.00 H new ATOM 0 HA THR A 5 4.804 7.967 -3.484 1.00 0.00 H new ATOM 0 HB THR A 5 5.924 8.867 -1.351 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.744 9.636 -0.550 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.516 11.018 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.507 9.693 -3.576 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.152 10.845 -3.518 1.00 0.00 H new ATOM 84 N TYR A 6 4.413 6.079 -1.975 1.00 0.00 N ATOM 85 CA TYR A 6 4.163 4.908 -1.155 1.00 0.00 C ATOM 86 C TYR A 6 5.374 4.603 -0.287 1.00 0.00 C ATOM 87 O TYR A 6 6.516 4.713 -0.736 1.00 0.00 O ATOM 88 CB TYR A 6 3.811 3.702 -2.037 1.00 0.00 C ATOM 89 CG TYR A 6 4.484 3.710 -3.398 1.00 0.00 C ATOM 90 CD1 TYR A 6 5.838 3.429 -3.534 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.758 3.998 -4.549 1.00 0.00 C ATOM 92 CE1 TYR A 6 6.450 3.440 -4.773 1.00 0.00 C ATOM 93 CE2 TYR A 6 4.364 4.009 -5.792 1.00 0.00 C ATOM 94 CZ TYR A 6 5.709 3.728 -5.898 1.00 0.00 C ATOM 95 OH TYR A 6 6.315 3.741 -7.133 1.00 0.00 O ATOM 0 H TYR A 6 4.994 5.900 -2.794 1.00 0.00 H new ATOM 0 HA TYR A 6 3.315 5.114 -0.502 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.089 2.788 -1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.731 3.672 -2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.423 3.198 -2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.703 4.217 -4.471 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.505 3.224 -4.859 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.786 4.237 -6.675 1.00 0.00 H new ATOM 0 HH TYR A 6 5.652 3.961 -7.820 1.00 0.00 H new ATOM 105 N SER A 7 5.121 4.229 0.957 1.00 0.00 N ATOM 106 CA SER A 7 6.188 3.932 1.898 1.00 0.00 C ATOM 107 C SER A 7 6.920 2.647 1.505 1.00 0.00 C ATOM 108 O SER A 7 6.362 1.790 0.815 1.00 0.00 O ATOM 109 CB SER A 7 5.606 3.793 3.306 1.00 0.00 C ATOM 110 OG SER A 7 4.809 4.917 3.636 1.00 0.00 O ATOM 0 H SER A 7 4.181 4.124 1.339 1.00 0.00 H new ATOM 0 HA SER A 7 6.906 4.752 1.880 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.006 2.885 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.415 3.690 4.030 1.00 0.00 H new ATOM 0 HG SER A 7 4.446 4.806 4.539 1.00 0.00 H new ATOM 116 N GLU A 8 8.170 2.517 1.946 1.00 0.00 N ATOM 117 CA GLU A 8 8.962 1.323 1.669 1.00 0.00 C ATOM 118 C GLU A 8 8.297 0.088 2.269 1.00 0.00 C ATOM 119 O GLU A 8 8.318 -0.993 1.678 1.00 0.00 O ATOM 120 CB GLU A 8 10.382 1.482 2.222 1.00 0.00 C ATOM 121 CG GLU A 8 10.425 1.893 3.687 1.00 0.00 C ATOM 122 CD GLU A 8 11.831 1.935 4.242 1.00 0.00 C ATOM 123 OE1 GLU A 8 12.621 2.802 3.813 1.00 0.00 O ATOM 124 OE2 GLU A 8 12.153 1.109 5.121 1.00 0.00 O ATOM 0 H GLU A 8 8.655 3.225 2.497 1.00 0.00 H new ATOM 0 HA GLU A 8 9.021 1.194 0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.917 0.540 2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.912 2.227 1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.966 2.875 3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.828 1.194 4.273 1.00 0.00 H new ATOM 131 N GLU A 9 7.688 0.273 3.433 1.00 0.00 N ATOM 132 CA GLU A 9 7.005 -0.808 4.133 1.00 0.00 C ATOM 133 C GLU A 9 5.782 -1.269 3.344 1.00 0.00 C ATOM 134 O GLU A 9 5.413 -2.439 3.380 1.00 0.00 O ATOM 135 CB GLU A 9 6.601 -0.333 5.529 1.00 0.00 C ATOM 136 CG GLU A 9 6.147 -1.444 6.457 1.00 0.00 C ATOM 137 CD GLU A 9 6.041 -0.976 7.893 1.00 0.00 C ATOM 138 OE1 GLU A 9 4.999 -0.395 8.260 1.00 0.00 O ATOM 139 OE2 GLU A 9 7.010 -1.173 8.657 1.00 0.00 O ATOM 0 H GLU A 9 7.653 1.171 3.916 1.00 0.00 H new ATOM 0 HA GLU A 9 7.681 -1.658 4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.447 0.182 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.797 0.397 5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.179 -1.820 6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.849 -2.276 6.398 1.00 0.00 H new ATOM 146 N PHE A 10 5.180 -0.342 2.615 1.00 0.00 N ATOM 147 CA PHE A 10 4.016 -0.643 1.787 1.00 0.00 C ATOM 148 C PHE A 10 4.393 -1.600 0.654 1.00 0.00 C ATOM 149 O PHE A 10 3.714 -2.598 0.423 1.00 0.00 O ATOM 150 CB PHE A 10 3.429 0.654 1.223 1.00 0.00 C ATOM 151 CG PHE A 10 2.166 0.465 0.432 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.947 0.319 1.072 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.197 0.441 -0.953 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.218 0.148 0.347 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.036 0.271 -1.683 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.172 0.126 -1.033 1.00 0.00 C ATOM 0 H PHE A 10 5.479 0.633 2.578 1.00 0.00 H new ATOM 0 HA PHE A 10 3.262 -1.131 2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.229 1.338 2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.175 1.131 0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.905 0.339 2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.139 0.556 -1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.162 0.032 0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.074 0.252 -2.762 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.080 -0.005 -1.602 1.00 0.00 H new ATOM 166 N LYS A 11 5.488 -1.298 -0.040 1.00 0.00 N ATOM 167 CA LYS A 11 5.982 -2.164 -1.103 1.00 0.00 C ATOM 168 C LYS A 11 6.482 -3.485 -0.517 1.00 0.00 C ATOM 169 O LYS A 11 6.388 -4.539 -1.146 1.00 0.00 O ATOM 170 CB LYS A 11 7.098 -1.454 -1.873 1.00 0.00 C ATOM 171 CG LYS A 11 6.704 -0.064 -2.340 1.00 0.00 C ATOM 172 CD LYS A 11 7.697 0.508 -3.343 1.00 0.00 C ATOM 173 CE LYS A 11 9.081 0.690 -2.754 1.00 0.00 C ATOM 174 NZ LYS A 11 9.999 1.387 -3.695 1.00 0.00 N ATOM 0 H LYS A 11 6.048 -0.460 0.116 1.00 0.00 H new ATOM 0 HA LYS A 11 5.169 -2.384 -1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.981 -1.381 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.376 -2.057 -2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.713 -0.102 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.636 0.601 -1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.758 -0.154 -4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.330 1.469 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.009 1.261 -1.828 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.497 -0.284 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.911 0.887 -3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.579 1.397 -4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.150 2.364 -3.373 1.00 0.00 H new ATOM 188 N ARG A 12 7.000 -3.405 0.703 1.00 0.00 N ATOM 189 CA ARG A 12 7.422 -4.582 1.455 1.00 0.00 C ATOM 190 C ARG A 12 6.225 -5.487 1.750 1.00 0.00 C ATOM 191 O ARG A 12 6.335 -6.713 1.706 1.00 0.00 O ATOM 192 CB ARG A 12 8.124 -4.125 2.751 1.00 0.00 C ATOM 193 CG ARG A 12 8.196 -5.163 3.868 1.00 0.00 C ATOM 194 CD ARG A 12 6.961 -5.116 4.762 1.00 0.00 C ATOM 195 NE ARG A 12 7.117 -5.934 5.960 1.00 0.00 N ATOM 196 CZ ARG A 12 6.107 -6.447 6.660 1.00 0.00 C ATOM 197 NH1 ARG A 12 4.848 -6.250 6.278 1.00 0.00 N ATOM 198 NH2 ARG A 12 6.366 -7.149 7.755 1.00 0.00 N ATOM 0 H ARG A 12 7.139 -2.524 1.199 1.00 0.00 H new ATOM 0 HA ARG A 12 8.127 -5.166 0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.139 -3.815 2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.606 -3.245 3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.294 -6.158 3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.088 -4.989 4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.763 -4.084 5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.094 -5.461 4.199 1.00 0.00 H new ATOM 0 HE ARG A 12 8.065 -6.126 6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.649 -5.701 5.441 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.082 -6.648 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.331 -7.291 8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.600 -7.547 8.299 1.00 0.00 H new ATOM 212 N ASP A 13 5.084 -4.868 2.031 1.00 0.00 N ATOM 213 CA ASP A 13 3.869 -5.597 2.382 1.00 0.00 C ATOM 214 C ASP A 13 3.323 -6.324 1.162 1.00 0.00 C ATOM 215 O ASP A 13 2.799 -7.435 1.265 1.00 0.00 O ATOM 216 CB ASP A 13 2.816 -4.632 2.935 1.00 0.00 C ATOM 217 CG ASP A 13 1.898 -5.288 3.944 1.00 0.00 C ATOM 218 OD1 ASP A 13 2.330 -5.469 5.103 1.00 0.00 O ATOM 219 OD2 ASP A 13 0.742 -5.611 3.598 1.00 0.00 O ATOM 0 H ASP A 13 4.974 -3.854 2.022 1.00 0.00 H new ATOM 0 HA ASP A 13 4.110 -6.332 3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.316 -3.783 3.402 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.221 -4.238 2.111 1.00 0.00 H new ATOM 224 N ALA A 14 3.474 -5.699 0.001 1.00 0.00 N ATOM 225 CA ALA A 14 3.031 -6.289 -1.255 1.00 0.00 C ATOM 226 C ALA A 14 3.766 -7.596 -1.536 1.00 0.00 C ATOM 227 O ALA A 14 3.177 -8.562 -2.031 1.00 0.00 O ATOM 228 CB ALA A 14 3.238 -5.308 -2.398 1.00 0.00 C ATOM 0 H ALA A 14 3.902 -4.778 -0.096 1.00 0.00 H new ATOM 0 HA ALA A 14 1.967 -6.512 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.903 -5.761 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.664 -4.401 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.296 -5.058 -2.475 1.00 0.00 H new ATOM 234 N VAL A 15 5.055 -7.626 -1.219 1.00 0.00 N ATOM 235 CA VAL A 15 5.854 -8.835 -1.385 1.00 0.00 C ATOM 236 C VAL A 15 5.373 -9.927 -0.434 1.00 0.00 C ATOM 237 O VAL A 15 5.292 -11.097 -0.808 1.00 0.00 O ATOM 238 CB VAL A 15 7.359 -8.560 -1.151 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.192 -9.811 -1.395 1.00 0.00 C ATOM 240 CG2 VAL A 15 7.829 -7.426 -2.045 1.00 0.00 C ATOM 0 H VAL A 15 5.569 -6.828 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 15 5.727 -9.172 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 15 7.493 -8.268 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.245 -9.587 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.873 -10.599 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.056 -10.144 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.889 -7.241 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.674 -7.698 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.262 -6.524 -1.817 1.00 0.00 H new ATOM 250 N ALA A 16 5.022 -9.529 0.783 1.00 0.00 N ATOM 251 CA ALA A 16 4.518 -10.463 1.787 1.00 0.00 C ATOM 252 C ALA A 16 3.186 -11.069 1.349 1.00 0.00 C ATOM 253 O ALA A 16 2.899 -12.235 1.623 1.00 0.00 O ATOM 254 CB ALA A 16 4.373 -9.764 3.133 1.00 0.00 C ATOM 0 H ALA A 16 5.077 -8.561 1.101 1.00 0.00 H new ATOM 0 HA ALA A 16 5.238 -11.275 1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.997 -10.472 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.344 -9.387 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.674 -8.933 3.038 1.00 0.00 H new ATOM 260 N LEU A 17 2.380 -10.275 0.655 1.00 0.00 N ATOM 261 CA LEU A 17 1.113 -10.749 0.113 1.00 0.00 C ATOM 262 C LEU A 17 1.369 -11.832 -0.936 1.00 0.00 C ATOM 263 O LEU A 17 0.646 -12.823 -1.008 1.00 0.00 O ATOM 264 CB LEU A 17 0.334 -9.591 -0.530 1.00 0.00 C ATOM 265 CG LEU A 17 -1.160 -9.502 -0.180 1.00 0.00 C ATOM 266 CD1 LEU A 17 -1.807 -10.880 -0.147 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.364 -8.781 1.143 1.00 0.00 C ATOM 0 H LEU A 17 2.583 -9.296 0.454 1.00 0.00 H new ATOM 0 HA LEU A 17 0.522 -11.163 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.810 -8.655 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.428 -9.674 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.648 -8.924 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.863 -10.780 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.709 -11.351 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.313 -11.496 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.429 -8.730 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.850 -9.324 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.960 -7.771 1.073 1.00 0.00 H new ATOM 279 N TYR A 18 2.427 -11.648 -1.725 1.00 0.00 N ATOM 280 CA TYR A 18 2.763 -12.583 -2.795 1.00 0.00 C ATOM 281 C TYR A 18 3.225 -13.923 -2.226 1.00 0.00 C ATOM 282 O TYR A 18 3.184 -14.948 -2.905 1.00 0.00 O ATOM 283 CB TYR A 18 3.846 -11.988 -3.701 1.00 0.00 C ATOM 284 CG TYR A 18 4.119 -12.808 -4.942 1.00 0.00 C ATOM 285 CD1 TYR A 18 3.177 -12.898 -5.959 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.316 -13.496 -5.094 1.00 0.00 C ATOM 287 CE1 TYR A 18 3.423 -13.646 -7.095 1.00 0.00 C ATOM 288 CE2 TYR A 18 5.570 -14.244 -6.229 1.00 0.00 C ATOM 289 CZ TYR A 18 4.619 -14.319 -7.226 1.00 0.00 C ATOM 290 OH TYR A 18 4.867 -15.062 -8.357 1.00 0.00 O ATOM 0 H TYR A 18 3.067 -10.858 -1.642 1.00 0.00 H new ATOM 0 HA TYR A 18 1.865 -12.757 -3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.546 -10.983 -3.999 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.770 -11.889 -3.131 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.237 -12.375 -5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.060 -13.446 -4.313 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.681 -13.703 -7.877 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.509 -14.767 -6.335 1.00 0.00 H new ATOM 0 HH TYR A 18 5.755 -15.471 -8.291 1.00 0.00 H new ATOM 300 N GLU A 19 3.667 -13.908 -0.976 1.00 0.00 N ATOM 301 CA GLU A 19 4.032 -15.135 -0.280 1.00 0.00 C ATOM 302 C GLU A 19 2.787 -15.977 -0.001 1.00 0.00 C ATOM 303 O GLU A 19 2.871 -17.183 0.228 1.00 0.00 O ATOM 304 CB GLU A 19 4.758 -14.815 1.027 1.00 0.00 C ATOM 305 CG GLU A 19 6.132 -14.199 0.819 1.00 0.00 C ATOM 306 CD GLU A 19 7.082 -15.150 0.123 1.00 0.00 C ATOM 307 OE1 GLU A 19 7.614 -16.054 0.798 1.00 0.00 O ATOM 308 OE2 GLU A 19 7.285 -15.012 -1.100 1.00 0.00 O ATOM 0 H GLU A 19 3.782 -13.059 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 19 4.706 -15.706 -0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.147 -14.131 1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.863 -15.730 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.035 -13.288 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.550 -13.911 1.784 1.00 0.00 H new ATOM 315 N ASN A 20 1.637 -15.324 -0.056 1.00 0.00 N ATOM 316 CA ASN A 20 0.351 -15.964 0.177 1.00 0.00 C ATOM 317 C ASN A 20 -0.355 -16.202 -1.155 1.00 0.00 C ATOM 318 O ASN A 20 -1.583 -16.214 -1.232 1.00 0.00 O ATOM 319 CB ASN A 20 -0.510 -15.059 1.069 1.00 0.00 C ATOM 320 CG ASN A 20 0.001 -14.965 2.498 1.00 0.00 C ATOM 321 OD1 ASN A 20 -0.381 -15.759 3.356 1.00 0.00 O ATOM 322 ND2 ASN A 20 0.861 -13.993 2.772 1.00 0.00 N ATOM 0 H ASN A 20 1.569 -14.328 -0.265 1.00 0.00 H new ATOM 0 HA ASN A 20 0.504 -16.923 0.673 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.544 -14.059 0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.532 -15.437 1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.226 -13.887 3.718 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.157 -13.352 2.036 1.00 0.00 H new ATOM 329 N SER A 21 0.441 -16.430 -2.195 1.00 0.00 N ATOM 330 CA SER A 21 -0.050 -16.456 -3.570 1.00 0.00 C ATOM 331 C SER A 21 -1.106 -17.525 -3.821 1.00 0.00 C ATOM 332 O SER A 21 -1.933 -17.380 -4.725 1.00 0.00 O ATOM 333 CB SER A 21 1.096 -16.657 -4.546 1.00 0.00 C ATOM 334 OG SER A 21 1.818 -17.845 -4.254 1.00 0.00 O ATOM 0 H SER A 21 1.443 -16.602 -2.110 1.00 0.00 H new ATOM 0 HA SER A 21 -0.522 -15.487 -3.729 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.707 -16.706 -5.563 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.768 -15.800 -4.503 1.00 0.00 H new ATOM 0 HG SER A 21 2.549 -17.951 -4.899 1.00 0.00 H new ATOM 340 N ASP A 22 -1.079 -18.596 -3.043 1.00 0.00 N ATOM 341 CA ASP A 22 -2.050 -19.668 -3.208 1.00 0.00 C ATOM 342 C ASP A 22 -3.460 -19.144 -2.971 1.00 0.00 C ATOM 343 O ASP A 22 -4.430 -19.621 -3.568 1.00 0.00 O ATOM 344 CB ASP A 22 -1.748 -20.833 -2.264 1.00 0.00 C ATOM 345 CG ASP A 22 -2.745 -21.964 -2.410 1.00 0.00 C ATOM 346 OD1 ASP A 22 -2.862 -22.521 -3.521 1.00 0.00 O ATOM 347 OD2 ASP A 22 -3.421 -22.298 -1.413 1.00 0.00 O ATOM 0 H ASP A 22 -0.401 -18.746 -2.296 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.979 -20.036 -4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.744 -21.208 -2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.756 -20.475 -1.234 1.00 0.00 H new ATOM 352 N GLY A 23 -3.555 -18.133 -2.126 1.00 0.00 N ATOM 353 CA GLY A 23 -4.826 -17.496 -1.868 1.00 0.00 C ATOM 354 C GLY A 23 -4.916 -16.120 -2.500 1.00 0.00 C ATOM 355 O GLY A 23 -5.945 -15.456 -2.397 1.00 0.00 O ATOM 0 H GLY A 23 -2.768 -17.739 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.630 -18.124 -2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.976 -17.410 -0.792 1.00 0.00 H new ATOM 359 N ALA A 24 -3.843 -15.693 -3.169 1.00 0.00 N ATOM 360 CA ALA A 24 -3.799 -14.366 -3.769 1.00 0.00 C ATOM 361 C ALA A 24 -2.905 -14.356 -5.009 1.00 0.00 C ATOM 362 O ALA A 24 -1.680 -14.370 -4.908 1.00 0.00 O ATOM 363 CB ALA A 24 -3.314 -13.346 -2.746 1.00 0.00 C ATOM 0 H ALA A 24 -2.998 -16.247 -3.306 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.807 -14.095 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.284 -12.357 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.995 -13.332 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.315 -13.618 -2.406 1.00 0.00 H new ATOM 369 N SER A 25 -3.531 -14.344 -6.173 1.00 0.00 N ATOM 370 CA SER A 25 -2.806 -14.372 -7.436 1.00 0.00 C ATOM 371 C SER A 25 -2.042 -13.065 -7.652 1.00 0.00 C ATOM 372 O SER A 25 -2.416 -12.023 -7.109 1.00 0.00 O ATOM 373 CB SER A 25 -3.793 -14.608 -8.586 1.00 0.00 C ATOM 374 OG SER A 25 -3.138 -14.642 -9.842 1.00 0.00 O ATOM 0 H SER A 25 -4.546 -14.315 -6.272 1.00 0.00 H new ATOM 0 HA SER A 25 -2.081 -15.185 -7.409 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.320 -15.548 -8.425 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.544 -13.818 -8.589 1.00 0.00 H new ATOM 0 HG SER A 25 -3.797 -14.796 -10.551 1.00 0.00 H new ATOM 380 N LEU A 26 -0.978 -13.129 -8.456 1.00 0.00 N ATOM 381 CA LEU A 26 -0.181 -11.950 -8.794 1.00 0.00 C ATOM 382 C LEU A 26 -1.064 -10.882 -9.428 1.00 0.00 C ATOM 383 O LEU A 26 -0.917 -9.689 -9.155 1.00 0.00 O ATOM 384 CB LEU A 26 0.948 -12.333 -9.759 1.00 0.00 C ATOM 385 CG LEU A 26 1.886 -11.188 -10.158 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.650 -10.667 -8.951 1.00 0.00 C ATOM 387 CD2 LEU A 26 2.853 -11.639 -11.241 1.00 0.00 C ATOM 0 H LEU A 26 -0.648 -13.992 -8.887 1.00 0.00 H new ATOM 0 HA LEU A 26 0.256 -11.551 -7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.542 -13.124 -9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.505 -12.749 -10.664 1.00 0.00 H new ATOM 0 HG LEU A 26 1.276 -10.376 -10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.309 -9.855 -9.260 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.945 -10.299 -8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.245 -11.473 -8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.510 -10.812 -11.510 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.451 -12.472 -10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.292 -11.957 -12.120 1.00 0.00 H new ATOM 399 N GLN A 27 -1.986 -11.330 -10.272 1.00 0.00 N ATOM 400 CA GLN A 27 -2.971 -10.443 -10.877 1.00 0.00 C ATOM 401 C GLN A 27 -3.791 -9.748 -9.792 1.00 0.00 C ATOM 402 O GLN A 27 -4.002 -8.541 -9.844 1.00 0.00 O ATOM 403 CB GLN A 27 -3.914 -11.233 -11.790 1.00 0.00 C ATOM 404 CG GLN A 27 -4.977 -10.375 -12.460 1.00 0.00 C ATOM 405 CD GLN A 27 -4.423 -9.495 -13.567 1.00 0.00 C ATOM 406 OE1 GLN A 27 -3.433 -9.995 -14.294 1.00 0.00 O flip ATOM 407 NE2 GLN A 27 -4.896 -8.380 -13.784 1.00 0.00 N flip ATOM 0 H GLN A 27 -2.072 -12.307 -10.554 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.440 -9.697 -11.468 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.326 -11.734 -12.559 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.404 -12.012 -11.205 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.751 -11.022 -12.872 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.454 -9.746 -11.709 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.658 -8.027 -13.204 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.527 -7.808 -14.544 1.00 0.00 H new ATOM 416 N GLN A 28 -4.218 -10.526 -8.799 1.00 0.00 N ATOM 417 CA GLN A 28 -5.120 -10.039 -7.759 1.00 0.00 C ATOM 418 C GLN A 28 -4.441 -8.968 -6.908 1.00 0.00 C ATOM 419 O GLN A 28 -5.055 -7.954 -6.582 1.00 0.00 O ATOM 420 CB GLN A 28 -5.599 -11.217 -6.891 1.00 0.00 C ATOM 421 CG GLN A 28 -6.764 -10.894 -5.961 1.00 0.00 C ATOM 422 CD GLN A 28 -6.350 -10.140 -4.709 1.00 0.00 C ATOM 423 OE1 GLN A 28 -5.240 -10.302 -4.210 1.00 0.00 O ATOM 424 NE2 GLN A 28 -7.247 -9.315 -4.194 1.00 0.00 N ATOM 0 H GLN A 28 -3.950 -11.505 -8.693 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.988 -9.580 -8.232 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.892 -12.037 -7.546 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.761 -11.572 -6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.500 -10.302 -6.505 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.255 -11.823 -5.670 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.158 -9.209 -4.640 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.027 -8.784 -3.351 1.00 0.00 H new ATOM 433 N ILE A 29 -3.176 -9.190 -6.565 1.00 0.00 N ATOM 434 CA ILE A 29 -2.428 -8.239 -5.745 1.00 0.00 C ATOM 435 C ILE A 29 -2.387 -6.868 -6.414 1.00 0.00 C ATOM 436 O ILE A 29 -2.680 -5.847 -5.790 1.00 0.00 O ATOM 437 CB ILE A 29 -0.980 -8.716 -5.485 1.00 0.00 C ATOM 438 CG1 ILE A 29 -0.973 -10.153 -4.955 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.275 -7.782 -4.503 1.00 0.00 C ATOM 440 CD1 ILE A 29 -1.748 -10.329 -3.670 1.00 0.00 C ATOM 0 H ILE A 29 -2.647 -10.017 -6.841 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.947 -8.169 -4.789 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.438 -8.695 -6.431 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.391 -10.813 -5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.058 -10.466 -4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.742 -8.134 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.246 -6.774 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.818 -7.771 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.699 -11.371 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.317 -9.695 -2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.789 -10.048 -3.831 1.00 0.00 H new ATOM 452 N ALA A 30 -2.037 -6.856 -7.694 1.00 0.00 N ATOM 453 CA ALA A 30 -1.987 -5.617 -8.459 1.00 0.00 C ATOM 454 C ALA A 30 -3.392 -5.080 -8.712 1.00 0.00 C ATOM 455 O ALA A 30 -3.604 -3.869 -8.782 1.00 0.00 O ATOM 456 CB ALA A 30 -1.261 -5.834 -9.778 1.00 0.00 C ATOM 0 H ALA A 30 -1.784 -7.690 -8.224 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.437 -4.880 -7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.233 -4.898 -10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.243 -6.170 -9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.786 -6.590 -10.362 1.00 0.00 H new ATOM 462 N ASN A 31 -4.343 -5.996 -8.839 1.00 0.00 N ATOM 463 CA ASN A 31 -5.733 -5.648 -9.119 1.00 0.00 C ATOM 464 C ASN A 31 -6.373 -4.927 -7.933 1.00 0.00 C ATOM 465 O ASN A 31 -7.071 -3.927 -8.111 1.00 0.00 O ATOM 466 CB ASN A 31 -6.533 -6.914 -9.442 1.00 0.00 C ATOM 467 CG ASN A 31 -7.871 -6.620 -10.088 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.862 -6.371 -9.406 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.915 -6.685 -11.411 1.00 0.00 N ATOM 0 H ASN A 31 -4.175 -6.998 -8.751 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.746 -4.976 -9.977 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.946 -7.548 -10.107 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.695 -7.479 -8.524 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.796 -6.525 -11.900 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.068 -6.895 -11.940 1.00 0.00 H new ATOM 476 N ASP A 32 -6.125 -5.435 -6.726 1.00 0.00 N ATOM 477 CA ASP A 32 -6.700 -4.858 -5.510 1.00 0.00 C ATOM 478 C ASP A 32 -6.209 -3.433 -5.306 1.00 0.00 C ATOM 479 O ASP A 32 -6.992 -2.530 -5.005 1.00 0.00 O ATOM 480 CB ASP A 32 -6.335 -5.697 -4.279 1.00 0.00 C ATOM 481 CG ASP A 32 -7.072 -5.247 -3.030 1.00 0.00 C ATOM 482 OD1 ASP A 32 -6.578 -4.336 -2.329 1.00 0.00 O ATOM 483 OD2 ASP A 32 -8.147 -5.814 -2.733 1.00 0.00 O ATOM 0 H ASP A 32 -5.529 -6.246 -6.564 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.783 -4.853 -5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.565 -6.744 -4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.261 -5.634 -4.106 1.00 0.00 H new ATOM 488 N LEU A 33 -4.909 -3.241 -5.478 1.00 0.00 N ATOM 489 CA LEU A 33 -4.286 -1.939 -5.272 1.00 0.00 C ATOM 490 C LEU A 33 -4.548 -1.004 -6.449 1.00 0.00 C ATOM 491 O LEU A 33 -4.484 0.218 -6.306 1.00 0.00 O ATOM 492 CB LEU A 33 -2.776 -2.092 -5.053 1.00 0.00 C ATOM 493 CG LEU A 33 -2.337 -2.467 -3.630 1.00 0.00 C ATOM 494 CD1 LEU A 33 -2.887 -3.825 -3.218 1.00 0.00 C ATOM 495 CD2 LEU A 33 -0.819 -2.455 -3.525 1.00 0.00 C ATOM 0 H LEU A 33 -4.260 -3.975 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.733 -1.499 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.405 -2.853 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.292 -1.154 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.745 -1.722 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.557 -4.059 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.976 -3.801 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.522 -4.589 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.522 -2.723 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.400 -3.175 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.446 -1.458 -3.761 1.00 0.00 H new ATOM 507 N GLY A 34 -4.835 -1.583 -7.609 1.00 0.00 N ATOM 508 CA GLY A 34 -5.077 -0.790 -8.799 1.00 0.00 C ATOM 509 C GLY A 34 -3.786 -0.325 -9.437 1.00 0.00 C ATOM 510 O GLY A 34 -3.725 0.753 -10.033 1.00 0.00 O ATOM 0 H GLY A 34 -4.905 -2.591 -7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.646 -1.379 -9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.687 0.076 -8.541 1.00 0.00 H new ATOM 514 N ILE A 35 -2.751 -1.142 -9.309 1.00 0.00 N ATOM 515 CA ILE A 35 -1.442 -0.809 -9.847 1.00 0.00 C ATOM 516 C ILE A 35 -1.071 -1.753 -10.983 1.00 0.00 C ATOM 517 O ILE A 35 -1.747 -2.755 -11.215 1.00 0.00 O ATOM 518 CB ILE A 35 -0.344 -0.869 -8.764 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.294 -2.264 -8.128 1.00 0.00 C ATOM 520 CG2 ILE A 35 -0.584 0.197 -7.704 1.00 0.00 C ATOM 521 CD1 ILE A 35 0.832 -2.445 -7.130 1.00 0.00 C ATOM 0 H ILE A 35 -2.794 -2.044 -8.835 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.505 0.213 -10.222 1.00 0.00 H new ATOM 0 HB ILE A 35 0.619 -0.673 -9.235 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.243 -2.459 -7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.190 -3.009 -8.917 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.199 0.141 -6.948 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.569 1.183 -8.169 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.554 0.032 -7.235 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.800 -3.456 -6.725 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.788 -2.283 -7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.719 -1.725 -6.319 1.00 0.00 H new ATOM 533 N ASN A 36 0.001 -1.426 -11.691 1.00 0.00 N ATOM 534 CA ASN A 36 0.469 -2.238 -12.799 1.00 0.00 C ATOM 535 C ASN A 36 0.990 -3.582 -12.308 1.00 0.00 C ATOM 536 O ASN A 36 1.611 -3.679 -11.245 1.00 0.00 O ATOM 537 CB ASN A 36 1.572 -1.487 -13.540 1.00 0.00 C ATOM 538 CG ASN A 36 1.871 -2.033 -14.922 1.00 0.00 C ATOM 539 OD1 ASN A 36 1.809 -3.237 -15.175 1.00 0.00 O ATOM 540 ND2 ASN A 36 2.179 -1.134 -15.832 1.00 0.00 N ATOM 0 H ASN A 36 0.566 -0.595 -11.513 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.365 -2.428 -13.474 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.287 -0.439 -13.629 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.483 -1.520 -12.943 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.377 -1.425 -16.789 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.219 -0.146 -15.580 1.00 0.00 H new ATOM 547 N ARG A 37 0.748 -4.608 -13.110 1.00 0.00 N ATOM 548 CA ARG A 37 1.182 -5.963 -12.803 1.00 0.00 C ATOM 549 C ARG A 37 2.702 -6.047 -12.867 1.00 0.00 C ATOM 550 O ARG A 37 3.338 -6.735 -12.065 1.00 0.00 O ATOM 551 CB ARG A 37 0.563 -6.938 -13.810 1.00 0.00 C ATOM 552 CG ARG A 37 0.763 -8.407 -13.473 1.00 0.00 C ATOM 553 CD ARG A 37 0.551 -9.294 -14.695 1.00 0.00 C ATOM 554 NE ARG A 37 -0.684 -8.969 -15.410 1.00 0.00 N ATOM 555 CZ ARG A 37 -1.114 -9.627 -16.488 1.00 0.00 C ATOM 556 NH1 ARG A 37 -0.415 -10.655 -16.967 1.00 0.00 N ATOM 557 NH2 ARG A 37 -2.236 -9.248 -17.091 1.00 0.00 N ATOM 0 H ARG A 37 0.245 -4.525 -13.993 1.00 0.00 H new ATOM 0 HA ARG A 37 0.856 -6.228 -11.797 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.506 -6.737 -13.880 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.989 -6.743 -14.794 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.769 -8.558 -13.082 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.068 -8.699 -12.685 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.399 -9.186 -15.371 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.524 -10.338 -14.383 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.249 -8.194 -15.064 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.451 -10.940 -16.509 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.746 -11.157 -17.791 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.767 -8.455 -16.730 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.567 -9.750 -17.915 1.00 0.00 H new ATOM 571 N VAL A 38 3.279 -5.326 -13.824 1.00 0.00 N ATOM 572 CA VAL A 38 4.720 -5.332 -14.027 1.00 0.00 C ATOM 573 C VAL A 38 5.433 -4.647 -12.866 1.00 0.00 C ATOM 574 O VAL A 38 6.409 -5.171 -12.326 1.00 0.00 O ATOM 575 CB VAL A 38 5.107 -4.632 -15.349 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.610 -4.719 -15.587 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.337 -5.232 -16.516 1.00 0.00 C ATOM 0 H VAL A 38 2.766 -4.729 -14.472 1.00 0.00 H new ATOM 0 HA VAL A 38 5.033 -6.375 -14.079 1.00 0.00 H new ATOM 0 HB VAL A 38 4.840 -3.578 -15.270 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.860 -4.220 -16.523 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.137 -4.234 -14.765 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.910 -5.766 -15.643 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.622 -4.727 -17.439 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.569 -6.294 -16.597 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.267 -5.106 -16.349 1.00 0.00 H new ATOM 587 N THR A 39 4.920 -3.488 -12.469 1.00 0.00 N ATOM 588 CA THR A 39 5.518 -2.710 -11.395 1.00 0.00 C ATOM 589 C THR A 39 5.507 -3.500 -10.084 1.00 0.00 C ATOM 590 O THR A 39 6.463 -3.448 -9.308 1.00 0.00 O ATOM 591 CB THR A 39 4.770 -1.375 -11.212 1.00 0.00 C ATOM 592 OG1 THR A 39 4.619 -0.732 -12.488 1.00 0.00 O ATOM 593 CG2 THR A 39 5.519 -0.454 -10.260 1.00 0.00 C ATOM 0 H THR A 39 4.087 -3.066 -12.879 1.00 0.00 H new ATOM 0 HA THR A 39 6.552 -2.499 -11.666 1.00 0.00 H new ATOM 0 HB THR A 39 3.790 -1.585 -10.784 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.142 0.116 -12.372 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.969 0.480 -10.149 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.615 -0.936 -9.287 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.511 -0.246 -10.661 1.00 0.00 H new ATOM 601 N LEU A 40 4.430 -4.246 -9.858 1.00 0.00 N ATOM 602 CA LEU A 40 4.309 -5.089 -8.674 1.00 0.00 C ATOM 603 C LEU A 40 5.385 -6.171 -8.664 1.00 0.00 C ATOM 604 O LEU A 40 6.058 -6.385 -7.655 1.00 0.00 O ATOM 605 CB LEU A 40 2.926 -5.741 -8.628 1.00 0.00 C ATOM 606 CG LEU A 40 2.693 -6.680 -7.446 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.663 -5.903 -6.142 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.411 -7.464 -7.641 1.00 0.00 C ATOM 0 H LEU A 40 3.625 -4.283 -10.483 1.00 0.00 H new ATOM 0 HA LEU A 40 4.441 -4.457 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.171 -4.955 -8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.773 -6.299 -9.552 1.00 0.00 H new ATOM 0 HG LEU A 40 3.521 -7.387 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.496 -6.590 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.615 -5.390 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.857 -5.170 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.258 -8.129 -6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.571 -6.774 -7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.481 -8.054 -8.555 1.00 0.00 H new ATOM 620 N LYS A 41 5.542 -6.843 -9.799 1.00 0.00 N ATOM 621 CA LYS A 41 6.526 -7.909 -9.933 1.00 0.00 C ATOM 622 C LYS A 41 7.924 -7.379 -9.653 1.00 0.00 C ATOM 623 O LYS A 41 8.728 -8.026 -8.979 1.00 0.00 O ATOM 624 CB LYS A 41 6.476 -8.498 -11.342 1.00 0.00 C ATOM 625 CG LYS A 41 7.298 -9.768 -11.503 1.00 0.00 C ATOM 626 CD LYS A 41 7.318 -10.255 -12.947 1.00 0.00 C ATOM 627 CE LYS A 41 8.174 -11.502 -13.098 1.00 0.00 C ATOM 628 NZ LYS A 41 8.326 -11.917 -14.520 1.00 0.00 N ATOM 0 H LYS A 41 4.997 -6.667 -10.643 1.00 0.00 H new ATOM 0 HA LYS A 41 6.289 -8.688 -9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.439 -8.712 -11.600 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.834 -7.752 -12.051 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.319 -9.584 -11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.888 -10.549 -10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.301 -10.468 -13.275 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.703 -9.467 -13.594 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.159 -11.318 -12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.726 -12.318 -12.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.917 -12.771 -14.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.390 -12.120 -14.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.777 -11.151 -15.059 1.00 0.00 H new ATOM 642 N ASN A 42 8.194 -6.191 -10.174 1.00 0.00 N ATOM 643 CA ASN A 42 9.489 -5.536 -10.002 1.00 0.00 C ATOM 644 C ASN A 42 9.835 -5.346 -8.525 1.00 0.00 C ATOM 645 O ASN A 42 10.988 -5.516 -8.131 1.00 0.00 O ATOM 646 CB ASN A 42 9.515 -4.187 -10.727 1.00 0.00 C ATOM 647 CG ASN A 42 9.518 -4.336 -12.236 1.00 0.00 C ATOM 648 OD1 ASN A 42 10.025 -5.317 -12.778 1.00 0.00 O ATOM 649 ND2 ASN A 42 8.957 -3.356 -12.930 1.00 0.00 N ATOM 0 H ASN A 42 7.526 -5.653 -10.726 1.00 0.00 H new ATOM 0 HA ASN A 42 10.243 -6.189 -10.442 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.648 -3.600 -10.425 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.400 -3.630 -10.419 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.936 -3.400 -13.949 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.546 -2.558 -12.445 1.00 0.00 H new ATOM 656 N TRP A 43 8.838 -5.008 -7.708 1.00 0.00 N ATOM 657 CA TRP A 43 9.052 -4.853 -6.268 1.00 0.00 C ATOM 658 C TRP A 43 9.480 -6.174 -5.647 1.00 0.00 C ATOM 659 O TRP A 43 10.435 -6.232 -4.870 1.00 0.00 O ATOM 660 CB TRP A 43 7.783 -4.352 -5.566 1.00 0.00 C ATOM 661 CG TRP A 43 7.448 -2.919 -5.858 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.224 -2.014 -6.520 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.251 -2.227 -5.486 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.583 -0.801 -6.580 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.368 -0.911 -5.962 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.086 -2.593 -4.801 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.372 0.041 -5.777 1.00 0.00 C ATOM 668 CZ3 TRP A 43 4.096 -1.646 -4.620 1.00 0.00 C ATOM 669 CH2 TRP A 43 4.243 -0.343 -5.109 1.00 0.00 C ATOM 0 H TRP A 43 7.880 -4.837 -8.015 1.00 0.00 H new ATOM 0 HA TRP A 43 9.842 -4.114 -6.134 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.943 -4.979 -5.866 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.904 -4.474 -4.490 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.199 -2.221 -6.936 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.953 0.044 -7.015 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.963 -3.597 -4.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.486 1.049 -6.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.193 -1.916 -4.092 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.449 0.373 -4.956 1.00 0.00 H new ATOM 680 N ILE A 44 8.779 -7.234 -6.012 1.00 0.00 N ATOM 681 CA ILE A 44 9.050 -8.562 -5.480 1.00 0.00 C ATOM 682 C ILE A 44 10.472 -9.007 -5.824 1.00 0.00 C ATOM 683 O ILE A 44 11.213 -9.483 -4.965 1.00 0.00 O ATOM 684 CB ILE A 44 8.044 -9.592 -6.039 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.610 -9.115 -5.798 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.265 -10.954 -5.398 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.558 -9.951 -6.498 1.00 0.00 C ATOM 0 H ILE A 44 8.010 -7.201 -6.681 1.00 0.00 H new ATOM 0 HA ILE A 44 8.945 -8.510 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 44 8.204 -9.687 -7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.411 -9.121 -4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.520 -8.082 -6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.548 -11.668 -5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.278 -11.296 -5.611 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.128 -10.875 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.569 -9.550 -6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.729 -9.925 -7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.618 -10.981 -6.146 1.00 0.00 H new ATOM 699 N ILE A 45 10.848 -8.814 -7.082 1.00 0.00 N ATOM 700 CA ILE A 45 12.148 -9.250 -7.581 1.00 0.00 C ATOM 701 C ILE A 45 13.275 -8.400 -6.999 1.00 0.00 C ATOM 702 O ILE A 45 14.383 -8.887 -6.778 1.00 0.00 O ATOM 703 CB ILE A 45 12.207 -9.189 -9.129 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.100 -10.059 -9.735 1.00 0.00 C ATOM 705 CG2 ILE A 45 13.577 -9.640 -9.627 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.039 -10.011 -11.244 1.00 0.00 C ATOM 0 H ILE A 45 10.266 -8.354 -7.782 1.00 0.00 H new ATOM 0 HA ILE A 45 12.281 -10.284 -7.263 1.00 0.00 H new ATOM 0 HB ILE A 45 12.050 -8.158 -9.445 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.250 -11.092 -9.420 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.139 -9.739 -9.332 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.602 -9.592 -10.716 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.347 -8.986 -9.217 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.762 -10.665 -9.305 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.231 -10.652 -11.596 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.857 -8.986 -11.568 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.985 -10.360 -11.658 1.00 0.00 H new ATOM 718 N LYS A 46 12.990 -7.134 -6.743 1.00 0.00 N ATOM 719 CA LYS A 46 14.013 -6.210 -6.265 1.00 0.00 C ATOM 720 C LYS A 46 14.260 -6.372 -4.766 1.00 0.00 C ATOM 721 O LYS A 46 15.406 -6.346 -4.309 1.00 0.00 O ATOM 722 CB LYS A 46 13.605 -4.766 -6.566 1.00 0.00 C ATOM 723 CG LYS A 46 14.674 -3.740 -6.236 1.00 0.00 C ATOM 724 CD LYS A 46 14.194 -2.336 -6.543 1.00 0.00 C ATOM 725 CE LYS A 46 15.317 -1.323 -6.402 1.00 0.00 C ATOM 726 NZ LYS A 46 16.409 -1.552 -7.384 1.00 0.00 N ATOM 0 H LYS A 46 12.064 -6.721 -6.856 1.00 0.00 H new ATOM 0 HA LYS A 46 14.939 -6.445 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.351 -4.684 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.703 -4.529 -6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.941 -3.814 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.576 -3.953 -6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.795 -2.300 -7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.378 -2.073 -5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.916 -0.318 -6.535 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.723 -1.372 -5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.989 -0.692 -7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.004 -2.342 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.999 -1.782 -8.312 1.00 0.00 H new ATOM 740 N TYR A 47 13.189 -6.532 -4.002 1.00 0.00 N ATOM 741 CA TYR A 47 13.294 -6.509 -2.550 1.00 0.00 C ATOM 742 C TYR A 47 13.328 -7.901 -1.912 1.00 0.00 C ATOM 743 O TYR A 47 14.061 -8.111 -0.945 1.00 0.00 O ATOM 744 CB TYR A 47 12.149 -5.681 -1.960 1.00 0.00 C ATOM 745 CG TYR A 47 12.187 -4.228 -2.377 1.00 0.00 C ATOM 746 CD1 TYR A 47 13.035 -3.328 -1.746 1.00 0.00 C ATOM 747 CD2 TYR A 47 11.385 -3.757 -3.408 1.00 0.00 C ATOM 748 CE1 TYR A 47 13.080 -2.002 -2.128 1.00 0.00 C ATOM 749 CE2 TYR A 47 11.423 -2.432 -3.796 1.00 0.00 C ATOM 750 CZ TYR A 47 12.273 -1.559 -3.155 1.00 0.00 C ATOM 751 OH TYR A 47 12.314 -0.238 -3.544 1.00 0.00 O ATOM 0 H TYR A 47 12.245 -6.678 -4.359 1.00 0.00 H new ATOM 0 HA TYR A 47 14.253 -6.047 -2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.198 -6.116 -2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 47 12.189 -5.741 -0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.670 -3.671 -0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.719 -4.439 -3.916 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.744 -1.315 -1.625 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.789 -2.083 -4.598 1.00 0.00 H new ATOM 0 HH TYR A 47 12.423 -0.187 -4.517 1.00 0.00 H new ATOM 761 N GLY A 48 12.566 -8.860 -2.431 1.00 0.00 N ATOM 762 CA GLY A 48 12.495 -10.152 -1.758 1.00 0.00 C ATOM 763 C GLY A 48 12.485 -11.335 -2.701 1.00 0.00 C ATOM 764 O GLY A 48 11.656 -12.235 -2.566 1.00 0.00 O ATOM 0 H GLY A 48 12.009 -8.774 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.345 -10.246 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.595 -10.182 -1.144 1.00 0.00 H new ATOM 768 N SER A 49 13.397 -11.342 -3.657 1.00 0.00 N ATOM 769 CA SER A 49 13.475 -12.436 -4.609 1.00 0.00 C ATOM 770 C SER A 49 14.397 -13.552 -4.121 1.00 0.00 C ATOM 771 O SER A 49 13.979 -14.702 -3.966 1.00 0.00 O ATOM 772 CB SER A 49 13.953 -11.911 -5.962 1.00 0.00 C ATOM 773 OG SER A 49 15.151 -11.161 -5.826 1.00 0.00 O ATOM 0 H SER A 49 14.091 -10.607 -3.795 1.00 0.00 H new ATOM 0 HA SER A 49 12.476 -12.860 -4.713 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.119 -12.747 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.178 -11.287 -6.407 1.00 0.00 H new ATOM 0 HG SER A 49 14.950 -10.206 -5.911 1.00 0.00 H new ATOM 779 N ASN A 50 15.647 -13.196 -3.856 1.00 0.00 N ATOM 780 CA ASN A 50 16.690 -14.176 -3.581 1.00 0.00 C ATOM 781 C ASN A 50 16.860 -14.386 -2.082 1.00 0.00 C ATOM 782 O ASN A 50 17.368 -15.417 -1.641 1.00 0.00 O ATOM 783 CB ASN A 50 18.010 -13.709 -4.209 1.00 0.00 C ATOM 784 CG ASN A 50 19.055 -14.808 -4.291 1.00 0.00 C ATOM 785 OD1 ASN A 50 19.100 -15.561 -5.262 1.00 0.00 O ATOM 786 ND2 ASN A 50 19.922 -14.890 -3.293 1.00 0.00 N ATOM 0 H ASN A 50 15.965 -12.227 -3.826 1.00 0.00 H new ATOM 0 HA ASN A 50 16.399 -15.130 -4.020 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.813 -13.328 -5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.409 -12.880 -3.625 1.00 0.00 H new ATOM 0 HD21 ASN A 50 20.658 -15.595 -3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 50 19.853 -14.248 -2.504 1.00 0.00 H new ATOM 793 N HIS A 51 16.447 -13.399 -1.299 1.00 0.00 N ATOM 794 CA HIS A 51 16.507 -13.499 0.154 1.00 0.00 C ATOM 795 C HIS A 51 15.185 -13.079 0.772 1.00 0.00 C ATOM 796 O HIS A 51 14.780 -11.921 0.667 1.00 0.00 O ATOM 797 CB HIS A 51 17.639 -12.641 0.728 1.00 0.00 C ATOM 798 CG HIS A 51 19.008 -13.181 0.458 1.00 0.00 C ATOM 799 ND1 HIS A 51 19.525 -14.281 1.110 1.00 0.00 N ATOM 800 CD2 HIS A 51 19.969 -12.773 -0.404 1.00 0.00 C ATOM 801 CE1 HIS A 51 20.742 -14.523 0.665 1.00 0.00 C ATOM 802 NE2 HIS A 51 21.035 -13.623 -0.253 1.00 0.00 N ATOM 0 H HIS A 51 16.066 -12.518 -1.645 1.00 0.00 H new ATOM 0 HA HIS A 51 16.706 -14.542 0.402 1.00 0.00 H new ATOM 0 HB2 HIS A 51 17.567 -11.636 0.311 1.00 0.00 H new ATOM 0 HB3 HIS A 51 17.501 -12.550 1.805 1.00 0.00 H new ATOM 0 HD2 HIS A 51 19.908 -11.935 -1.083 1.00 0.00 H new ATOM 0 HE1 HIS A 51 21.389 -15.322 0.996 1.00 0.00 H new ATOM 0 HE2 HIS A 51 21.914 -13.568 -0.768 1.00 0.00 H new ATOM 811 N ASN A 52 14.514 -14.023 1.413 1.00 0.00 N ATOM 812 CA ASN A 52 13.241 -13.760 2.053 1.00 0.00 C ATOM 813 C ASN A 52 13.457 -13.170 3.438 1.00 0.00 C ATOM 814 O ASN A 52 13.282 -13.845 4.453 1.00 0.00 O ATOM 815 CB ASN A 52 12.413 -15.041 2.147 1.00 0.00 C ATOM 816 CG ASN A 52 11.877 -15.499 0.803 1.00 0.00 C ATOM 817 OD1 ASN A 52 12.539 -16.244 0.080 1.00 0.00 O ATOM 818 ND2 ASN A 52 10.672 -15.067 0.468 1.00 0.00 N ATOM 0 H ASN A 52 14.837 -14.987 1.502 1.00 0.00 H new ATOM 0 HA ASN A 52 12.694 -13.038 1.447 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.026 -15.833 2.577 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.578 -14.879 2.829 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.257 -15.351 -0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.158 -14.451 1.097 1.00 0.00 H new ATOM 825 N VAL A 53 13.881 -11.917 3.465 1.00 0.00 N ATOM 826 CA VAL A 53 14.085 -11.203 4.717 1.00 0.00 C ATOM 827 C VAL A 53 12.748 -10.688 5.231 1.00 0.00 C ATOM 828 O VAL A 53 12.538 -10.524 6.434 1.00 0.00 O ATOM 829 CB VAL A 53 15.074 -10.027 4.538 1.00 0.00 C ATOM 830 CG1 VAL A 53 15.339 -9.320 5.863 1.00 0.00 C ATOM 831 CG2 VAL A 53 16.380 -10.519 3.928 1.00 0.00 C ATOM 0 H VAL A 53 14.092 -11.370 2.630 1.00 0.00 H new ATOM 0 HA VAL A 53 14.516 -11.894 5.442 1.00 0.00 H new ATOM 0 HB VAL A 53 14.618 -9.306 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.038 -8.499 5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 53 14.403 -8.928 6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.766 -10.027 6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 53 17.065 -9.679 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 53 16.830 -11.264 4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 53 16.181 -10.966 2.954 1.00 0.00 H new ATOM 841 N GLN A 54 11.841 -10.451 4.298 1.00 0.00 N ATOM 842 CA GLN A 54 10.494 -10.029 4.623 1.00 0.00 C ATOM 843 C GLN A 54 9.693 -11.218 5.138 1.00 0.00 C ATOM 844 O GLN A 54 9.536 -12.220 4.437 1.00 0.00 O ATOM 845 CB GLN A 54 9.802 -9.426 3.391 1.00 0.00 C ATOM 846 CG GLN A 54 10.423 -8.125 2.889 1.00 0.00 C ATOM 847 CD GLN A 54 11.811 -8.300 2.286 1.00 0.00 C ATOM 848 OE1 GLN A 54 12.134 -9.346 1.721 1.00 0.00 O ATOM 849 NE2 GLN A 54 12.648 -7.280 2.415 1.00 0.00 N ATOM 0 H GLN A 54 12.019 -10.546 3.298 1.00 0.00 H new ATOM 0 HA GLN A 54 10.546 -9.264 5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.822 -10.158 2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.754 -9.245 3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.765 -7.684 2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.483 -7.419 3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 54 12.346 -6.429 2.889 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.594 -7.346 2.040 1.00 0.00 H new ATOM 858 N GLY A 55 9.216 -11.117 6.371 1.00 0.00 N ATOM 859 CA GLY A 55 8.399 -12.170 6.938 1.00 0.00 C ATOM 860 C GLY A 55 6.962 -12.079 6.472 1.00 0.00 C ATOM 861 O GLY A 55 6.698 -11.806 5.302 1.00 0.00 O ATOM 0 H GLY A 55 9.381 -10.323 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.811 -13.140 6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.433 -12.110 8.026 1.00 0.00 H new ATOM 865 N THR A 56 6.024 -12.266 7.386 1.00 0.00 N ATOM 866 CA THR A 56 4.616 -12.199 7.033 1.00 0.00 C ATOM 867 C THR A 56 3.790 -11.535 8.129 1.00 0.00 C ATOM 868 O THR A 56 3.353 -12.173 9.088 1.00 0.00 O ATOM 869 CB THR A 56 4.026 -13.595 6.731 1.00 0.00 C ATOM 870 OG1 THR A 56 4.422 -14.537 7.740 1.00 0.00 O ATOM 871 CG2 THR A 56 4.452 -14.097 5.360 1.00 0.00 C ATOM 0 H THR A 56 6.210 -12.464 8.369 1.00 0.00 H new ATOM 0 HA THR A 56 4.562 -11.593 6.129 1.00 0.00 H new ATOM 0 HB THR A 56 2.940 -13.499 6.735 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.241 -14.162 8.627 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.018 -15.081 5.182 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.104 -13.403 4.594 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.539 -14.167 5.320 1.00 0.00 H new ATOM 879 N THR A 57 3.612 -10.234 7.974 1.00 0.00 N ATOM 880 CA THR A 57 2.684 -9.457 8.781 1.00 0.00 C ATOM 881 C THR A 57 1.994 -8.444 7.876 1.00 0.00 C ATOM 882 O THR A 57 2.430 -7.295 7.760 1.00 0.00 O ATOM 883 CB THR A 57 3.376 -8.727 9.957 1.00 0.00 C ATOM 884 OG1 THR A 57 4.584 -8.099 9.512 1.00 0.00 O ATOM 885 CG2 THR A 57 3.683 -9.684 11.100 1.00 0.00 C ATOM 0 H THR A 57 4.112 -9.681 7.278 1.00 0.00 H new ATOM 0 HA THR A 57 1.963 -10.144 9.224 1.00 0.00 H new ATOM 0 HB THR A 57 2.688 -7.965 10.325 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.495 -7.126 9.590 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.169 -9.140 11.910 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.755 -10.125 11.464 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.345 -10.474 10.745 1.00 0.00 H new ATOM 893 N PRO A 58 0.941 -8.883 7.174 1.00 0.00 N ATOM 894 CA PRO A 58 0.286 -8.077 6.140 1.00 0.00 C ATOM 895 C PRO A 58 -0.482 -6.886 6.700 1.00 0.00 C ATOM 896 O PRO A 58 -1.482 -7.039 7.401 1.00 0.00 O ATOM 897 CB PRO A 58 -0.666 -9.066 5.463 1.00 0.00 C ATOM 898 CG PRO A 58 -0.936 -10.110 6.492 1.00 0.00 C ATOM 899 CD PRO A 58 0.306 -10.206 7.332 1.00 0.00 C ATOM 0 HA PRO A 58 1.015 -7.632 5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.587 -8.575 5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.215 -9.499 4.570 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.798 -9.841 7.102 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.164 -11.068 6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.068 -10.414 8.375 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.960 -11.007 6.989 1.00 0.00 H new ATOM 907 N SER A 59 -0.001 -5.699 6.375 1.00 0.00 N ATOM 908 CA SER A 59 -0.636 -4.464 6.786 1.00 0.00 C ATOM 909 C SER A 59 -1.859 -4.202 5.917 1.00 0.00 C ATOM 910 O SER A 59 -2.863 -3.654 6.373 1.00 0.00 O ATOM 911 CB SER A 59 0.356 -3.309 6.657 1.00 0.00 C ATOM 912 OG SER A 59 1.640 -3.697 7.120 1.00 0.00 O ATOM 0 H SER A 59 0.843 -5.566 5.817 1.00 0.00 H new ATOM 0 HA SER A 59 -0.951 -4.547 7.826 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.420 -2.992 5.616 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.001 -2.452 7.230 1.00 0.00 H new ATOM 0 HG SER A 59 2.083 -4.243 6.437 1.00 0.00 H new ATOM 918 N ALA A 60 -1.773 -4.616 4.660 1.00 0.00 N ATOM 919 CA ALA A 60 -2.868 -4.436 3.721 1.00 0.00 C ATOM 920 C ALA A 60 -4.032 -5.367 4.037 1.00 0.00 C ATOM 921 O ALA A 60 -5.163 -5.122 3.629 1.00 0.00 O ATOM 922 CB ALA A 60 -2.388 -4.661 2.299 1.00 0.00 C ATOM 0 H ALA A 60 -0.953 -5.080 4.268 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.223 -3.410 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.220 -4.523 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.598 -3.947 2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.001 -5.675 2.202 1.00 0.00 H new ATOM 928 N ALA A 61 -3.752 -6.432 4.778 1.00 0.00 N ATOM 929 CA ALA A 61 -4.772 -7.421 5.092 1.00 0.00 C ATOM 930 C ALA A 61 -5.486 -7.087 6.395 1.00 0.00 C ATOM 931 O ALA A 61 -6.423 -7.776 6.795 1.00 0.00 O ATOM 932 CB ALA A 61 -4.164 -8.812 5.157 1.00 0.00 C ATOM 0 H ALA A 61 -2.832 -6.631 5.170 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.513 -7.402 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.942 -9.538 5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.717 -9.059 4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.397 -8.838 5.931 1.00 0.00 H new ATOM 938 N VAL A 62 -5.053 -6.015 7.044 1.00 0.00 N ATOM 939 CA VAL A 62 -5.678 -5.569 8.286 1.00 0.00 C ATOM 940 C VAL A 62 -7.111 -5.114 8.017 1.00 0.00 C ATOM 941 O VAL A 62 -7.989 -5.233 8.874 1.00 0.00 O ATOM 942 CB VAL A 62 -4.878 -4.425 8.948 1.00 0.00 C ATOM 943 CG1 VAL A 62 -5.561 -3.936 10.221 1.00 0.00 C ATOM 944 CG2 VAL A 62 -3.459 -4.879 9.256 1.00 0.00 C ATOM 0 H VAL A 62 -4.272 -5.437 6.733 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.687 -6.413 8.975 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.840 -3.594 8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.974 -3.131 10.663 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.558 -3.567 9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.640 -4.759 10.931 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.909 -4.062 9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.489 -5.730 9.936 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.961 -5.171 8.331 1.00 0.00 H new ATOM 954 N SER A 63 -7.341 -4.630 6.803 1.00 0.00 N ATOM 955 CA SER A 63 -8.662 -4.192 6.379 1.00 0.00 C ATOM 956 C SER A 63 -9.668 -5.340 6.454 1.00 0.00 C ATOM 957 O SER A 63 -10.830 -5.138 6.802 1.00 0.00 O ATOM 958 CB SER A 63 -8.587 -3.656 4.950 1.00 0.00 C ATOM 959 OG SER A 63 -7.508 -2.747 4.808 1.00 0.00 O ATOM 0 H SER A 63 -6.620 -4.531 6.088 1.00 0.00 H new ATOM 0 HA SER A 63 -8.999 -3.401 7.049 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.464 -4.484 4.252 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.523 -3.159 4.694 1.00 0.00 H new ATOM 0 HG SER A 63 -7.477 -2.417 3.886 1.00 0.00 H new ATOM 965 N GLU A 64 -9.205 -6.548 6.149 1.00 0.00 N ATOM 966 CA GLU A 64 -10.067 -7.723 6.152 1.00 0.00 C ATOM 967 C GLU A 64 -10.322 -8.202 7.576 1.00 0.00 C ATOM 968 O GLU A 64 -11.367 -8.779 7.873 1.00 0.00 O ATOM 969 CB GLU A 64 -9.442 -8.843 5.317 1.00 0.00 C ATOM 970 CG GLU A 64 -10.320 -10.080 5.197 1.00 0.00 C ATOM 971 CD GLU A 64 -9.739 -11.115 4.261 1.00 0.00 C ATOM 972 OE1 GLU A 64 -9.966 -10.998 3.039 1.00 0.00 O ATOM 973 OE2 GLU A 64 -9.056 -12.048 4.737 1.00 0.00 O ATOM 0 H GLU A 64 -8.235 -6.738 5.896 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.023 -7.447 5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.227 -8.463 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.488 -9.127 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.455 -10.523 6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.308 -9.787 4.841 1.00 0.00 H new ATOM 980 N ALA A 65 -9.371 -7.930 8.458 1.00 0.00 N ATOM 981 CA ALA A 65 -9.477 -8.337 9.858 1.00 0.00 C ATOM 982 C ALA A 65 -10.687 -7.692 10.525 1.00 0.00 C ATOM 983 O ALA A 65 -11.222 -8.211 11.507 1.00 0.00 O ATOM 984 CB ALA A 65 -8.201 -7.991 10.610 1.00 0.00 C ATOM 0 H ALA A 65 -8.513 -7.427 8.231 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.614 -9.418 9.888 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.297 -8.301 11.651 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.358 -8.509 10.153 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.033 -6.915 10.566 1.00 0.00 H new ATOM 990 N GLU A 66 -11.117 -6.564 9.969 1.00 0.00 N ATOM 991 CA GLU A 66 -12.269 -5.828 10.475 1.00 0.00 C ATOM 992 C GLU A 66 -13.518 -6.712 10.498 1.00 0.00 C ATOM 993 O GLU A 66 -14.204 -6.818 11.516 1.00 0.00 O ATOM 994 CB GLU A 66 -12.514 -4.611 9.587 1.00 0.00 C ATOM 995 CG GLU A 66 -13.700 -3.765 10.004 1.00 0.00 C ATOM 996 CD GLU A 66 -14.043 -2.719 8.967 1.00 0.00 C ATOM 997 OE1 GLU A 66 -13.437 -1.628 8.989 1.00 0.00 O ATOM 998 OE2 GLU A 66 -14.930 -2.981 8.127 1.00 0.00 O ATOM 0 H GLU A 66 -10.676 -6.135 9.155 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.061 -5.509 11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.619 -3.988 9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.665 -4.948 8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.564 -4.409 10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.481 -3.276 10.953 1.00 0.00 H new ATOM 1005 N GLN A 67 -13.805 -7.346 9.373 1.00 0.00 N ATOM 1006 CA GLN A 67 -14.959 -8.228 9.264 1.00 0.00 C ATOM 1007 C GLN A 67 -14.659 -9.594 9.879 1.00 0.00 C ATOM 1008 O GLN A 67 -15.533 -10.219 10.485 1.00 0.00 O ATOM 1009 CB GLN A 67 -15.386 -8.364 7.796 1.00 0.00 C ATOM 1010 CG GLN A 67 -14.271 -8.836 6.879 1.00 0.00 C ATOM 1011 CD GLN A 67 -14.601 -8.660 5.412 1.00 0.00 C ATOM 1012 OE1 GLN A 67 -15.153 -9.552 4.767 1.00 0.00 O ATOM 1013 NE2 GLN A 67 -14.266 -7.498 4.878 1.00 0.00 N ATOM 0 H GLN A 67 -13.254 -7.267 8.519 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.786 -7.789 9.822 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.219 -9.065 7.732 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.752 -7.400 7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.360 -8.285 7.110 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.066 -9.888 7.076 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.810 -6.787 5.449 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.464 -7.313 3.895 1.00 0.00 H new ATOM 1022 N ILE A 68 -13.410 -10.036 9.756 1.00 0.00 N ATOM 1023 CA ILE A 68 -13.006 -11.352 10.243 1.00 0.00 C ATOM 1024 C ILE A 68 -13.188 -11.472 11.756 1.00 0.00 C ATOM 1025 O ILE A 68 -13.608 -12.516 12.253 1.00 0.00 O ATOM 1026 CB ILE A 68 -11.539 -11.668 9.874 1.00 0.00 C ATOM 1027 CG1 ILE A 68 -11.382 -11.791 8.355 1.00 0.00 C ATOM 1028 CG2 ILE A 68 -11.063 -12.940 10.563 1.00 0.00 C ATOM 1029 CD1 ILE A 68 -12.250 -12.868 7.739 1.00 0.00 C ATOM 0 H ILE A 68 -12.658 -9.500 9.322 1.00 0.00 H new ATOM 0 HA ILE A 68 -13.656 -12.077 9.753 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.919 -10.842 10.223 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.625 -10.833 7.895 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.338 -12.001 8.122 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.028 -13.138 10.286 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.132 -12.816 11.644 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.688 -13.777 10.253 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.085 -12.896 6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.992 -13.835 8.171 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.299 -12.649 7.940 1.00 0.00 H new ATOM 1041 N ARG A 69 -12.888 -10.401 12.486 1.00 0.00 N ATOM 1042 CA ARG A 69 -12.979 -10.432 13.944 1.00 0.00 C ATOM 1043 C ARG A 69 -14.408 -10.739 14.400 1.00 0.00 C ATOM 1044 O ARG A 69 -14.613 -11.353 15.444 1.00 0.00 O ATOM 1045 CB ARG A 69 -12.463 -9.113 14.558 1.00 0.00 C ATOM 1046 CG ARG A 69 -13.295 -7.881 14.227 1.00 0.00 C ATOM 1047 CD ARG A 69 -14.429 -7.681 15.221 1.00 0.00 C ATOM 1048 NE ARG A 69 -15.373 -6.654 14.789 1.00 0.00 N ATOM 1049 CZ ARG A 69 -16.600 -6.516 15.292 1.00 0.00 C ATOM 1050 NH1 ARG A 69 -17.024 -7.334 16.251 1.00 0.00 N ATOM 1051 NH2 ARG A 69 -17.398 -5.563 14.835 1.00 0.00 N ATOM 0 H ARG A 69 -12.583 -9.509 12.097 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.339 -11.237 14.304 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.422 -9.225 15.641 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.441 -8.946 14.216 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.654 -6.999 14.225 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.706 -7.979 13.222 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.959 -8.624 15.358 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.014 -7.405 16.190 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.077 -6.005 14.060 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.410 -8.069 16.603 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.963 -7.227 16.635 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.074 -4.936 14.099 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.337 -5.456 15.219 1.00 0.00 H new ATOM 1065 N GLN A 70 -15.390 -10.308 13.615 1.00 0.00 N ATOM 1066 CA GLN A 70 -16.786 -10.565 13.924 1.00 0.00 C ATOM 1067 C GLN A 70 -17.171 -11.981 13.504 1.00 0.00 C ATOM 1068 O GLN A 70 -17.697 -12.760 14.301 1.00 0.00 O ATOM 1069 CB GLN A 70 -17.652 -9.537 13.194 1.00 0.00 C ATOM 1070 CG GLN A 70 -19.014 -9.288 13.822 1.00 0.00 C ATOM 1071 CD GLN A 70 -20.127 -10.161 13.257 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -19.901 -11.287 12.823 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -21.343 -9.640 13.253 1.00 0.00 N ATOM 0 H GLN A 70 -15.240 -9.777 12.757 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.945 -10.477 14.999 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -17.110 -8.592 13.150 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -17.797 -9.870 12.166 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -18.943 -9.458 14.896 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -19.281 -8.241 13.681 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -21.497 -8.701 13.621 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -22.127 -10.177 12.882 1.00 0.00 H new ATOM 1082 N LEU A 71 -16.864 -12.308 12.253 1.00 0.00 N ATOM 1083 CA LEU A 71 -17.283 -13.563 11.644 1.00 0.00 C ATOM 1084 C LEU A 71 -16.645 -14.776 12.312 1.00 0.00 C ATOM 1085 O LEU A 71 -17.279 -15.824 12.440 1.00 0.00 O ATOM 1086 CB LEU A 71 -16.939 -13.547 10.153 1.00 0.00 C ATOM 1087 CG LEU A 71 -18.020 -12.982 9.219 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -18.342 -11.533 9.554 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -17.579 -13.108 7.769 1.00 0.00 C ATOM 0 H LEU A 71 -16.318 -11.710 11.634 1.00 0.00 H new ATOM 0 HA LEU A 71 -18.361 -13.652 11.781 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -16.028 -12.964 10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.714 -14.567 9.841 1.00 0.00 H new ATOM 0 HG LEU A 71 -18.929 -13.565 9.365 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -19.110 -11.164 8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -18.704 -11.469 10.580 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -17.443 -10.927 9.448 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -18.353 -12.704 7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -16.653 -12.552 7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -17.414 -14.158 7.529 1.00 0.00 H new ATOM 1101 N LYS A 72 -15.399 -14.635 12.744 1.00 0.00 N ATOM 1102 CA LYS A 72 -14.668 -15.758 13.319 1.00 0.00 C ATOM 1103 C LYS A 72 -15.148 -16.067 14.735 1.00 0.00 C ATOM 1104 O LYS A 72 -14.912 -17.164 15.242 1.00 0.00 O ATOM 1105 CB LYS A 72 -13.162 -15.478 13.305 1.00 0.00 C ATOM 1106 CG LYS A 72 -12.305 -16.693 13.636 1.00 0.00 C ATOM 1107 CD LYS A 72 -10.848 -16.467 13.269 1.00 0.00 C ATOM 1108 CE LYS A 72 -10.011 -17.706 13.550 1.00 0.00 C ATOM 1109 NZ LYS A 72 -8.660 -17.625 12.935 1.00 0.00 N ATOM 0 H LYS A 72 -14.875 -13.760 12.708 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.864 -16.637 12.705 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.881 -15.105 12.320 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.943 -14.685 14.021 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.382 -16.914 14.700 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.685 -17.563 13.101 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.773 -16.206 12.213 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.454 -15.623 13.835 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.910 -17.837 14.627 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.529 -18.586 13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.127 -18.491 13.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.753 -17.526 11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.154 -16.801 13.317 1.00 0.00 H new ATOM 1123 N LYS A 73 -15.826 -15.096 15.354 1.00 0.00 N ATOM 1124 CA LYS A 73 -16.409 -15.255 16.692 1.00 0.00 C ATOM 1125 C LYS A 73 -15.323 -15.281 17.777 1.00 0.00 C ATOM 1126 O LYS A 73 -14.337 -16.017 17.675 1.00 0.00 O ATOM 1127 CB LYS A 73 -17.291 -16.514 16.740 1.00 0.00 C ATOM 1128 CG LYS A 73 -18.039 -16.705 18.046 1.00 0.00 C ATOM 1129 CD LYS A 73 -19.023 -17.858 17.946 1.00 0.00 C ATOM 1130 CE LYS A 73 -19.573 -18.243 19.308 1.00 0.00 C ATOM 1131 NZ LYS A 73 -18.516 -18.801 20.190 1.00 0.00 N ATOM 0 H LYS A 73 -15.987 -14.177 14.942 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.040 -14.391 16.898 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.013 -16.468 15.925 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.665 -17.388 16.563 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.329 -16.897 18.851 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -18.571 -15.789 18.302 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -19.845 -17.579 17.287 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -18.530 -18.719 17.495 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.017 -17.368 19.782 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.369 -18.977 19.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.588 -19.838 20.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.581 -18.524 19.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.638 -18.432 21.155 1.00 0.00 H new ATOM 1145 N GLU A 74 -15.526 -14.454 18.810 1.00 0.00 N ATOM 1146 CA GLU A 74 -14.538 -14.229 19.875 1.00 0.00 C ATOM 1147 C GLU A 74 -13.284 -13.554 19.324 1.00 0.00 C ATOM 1148 O GLU A 74 -13.107 -12.340 19.459 1.00 0.00 O ATOM 1149 CB GLU A 74 -14.140 -15.524 20.602 1.00 0.00 C ATOM 1150 CG GLU A 74 -15.121 -15.990 21.667 1.00 0.00 C ATOM 1151 CD GLU A 74 -16.280 -16.777 21.104 1.00 0.00 C ATOM 1152 OE1 GLU A 74 -16.038 -17.764 20.379 1.00 0.00 O ATOM 1153 OE2 GLU A 74 -17.444 -16.436 21.408 1.00 0.00 O ATOM 0 H GLU A 74 -16.385 -13.918 18.932 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.021 -13.574 20.600 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.025 -16.317 19.863 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.165 -15.377 21.067 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.592 -16.605 22.395 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.506 -15.122 22.202 1.00 0.00 H new ATOM 1160 N ASN A 75 -12.422 -14.356 18.705 1.00 0.00 N ATOM 1161 CA ASN A 75 -11.171 -13.881 18.123 1.00 0.00 C ATOM 1162 C ASN A 75 -10.290 -13.225 19.200 1.00 0.00 C ATOM 1163 O ASN A 75 -10.438 -13.504 20.392 1.00 0.00 O ATOM 1164 CB ASN A 75 -11.470 -12.913 16.964 1.00 0.00 C ATOM 1165 CG ASN A 75 -10.394 -12.919 15.888 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -9.209 -13.085 16.171 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -10.805 -12.752 14.638 1.00 0.00 N ATOM 0 H ASN A 75 -12.573 -15.359 18.593 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.615 -14.728 17.721 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.427 -13.179 16.514 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.574 -11.903 17.360 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.129 -12.759 13.874 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.797 -12.617 14.441 1.00 0.00 H new ATOM 1174 N ALA A 76 -9.369 -12.368 18.778 1.00 0.00 N ATOM 1175 CA ALA A 76 -8.439 -11.712 19.688 1.00 0.00 C ATOM 1176 C ALA A 76 -9.149 -10.785 20.674 1.00 0.00 C ATOM 1177 O ALA A 76 -8.579 -10.413 21.698 1.00 0.00 O ATOM 1178 CB ALA A 76 -7.395 -10.938 18.897 1.00 0.00 C ATOM 0 H ALA A 76 -9.246 -12.109 17.799 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.951 -12.491 20.273 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.704 -10.451 19.585 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.843 -11.624 18.254 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.888 -10.184 18.284 1.00 0.00 H new ATOM 1184 N LEU A 77 -10.400 -10.435 20.375 1.00 0.00 N ATOM 1185 CA LEU A 77 -11.175 -9.528 21.211 1.00 0.00 C ATOM 1186 C LEU A 77 -11.285 -10.055 22.639 1.00 0.00 C ATOM 1187 O LEU A 77 -11.192 -9.295 23.606 1.00 0.00 O ATOM 1188 CB LEU A 77 -12.574 -9.347 20.621 1.00 0.00 C ATOM 1189 CG LEU A 77 -12.622 -8.771 19.204 1.00 0.00 C ATOM 1190 CD1 LEU A 77 -14.057 -8.734 18.700 1.00 0.00 C ATOM 1191 CD2 LEU A 77 -12.006 -7.377 19.168 1.00 0.00 C ATOM 0 H LEU A 77 -10.899 -10.771 19.551 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.661 -8.567 21.238 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.076 -10.314 20.618 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.145 -8.693 21.280 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.039 -9.417 18.548 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -14.078 -8.322 17.691 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.465 -9.745 18.688 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.658 -8.108 19.360 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.050 -6.986 18.152 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.560 -6.717 19.835 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.966 -7.430 19.491 1.00 0.00 H new ATOM 1203 N GLN A 78 -11.455 -11.364 22.760 1.00 0.00 N ATOM 1204 CA GLN A 78 -11.625 -12.003 24.058 1.00 0.00 C ATOM 1205 C GLN A 78 -10.357 -11.862 24.901 1.00 0.00 C ATOM 1206 O GLN A 78 -10.423 -11.709 26.120 1.00 0.00 O ATOM 1207 CB GLN A 78 -11.955 -13.486 23.866 1.00 0.00 C ATOM 1208 CG GLN A 78 -12.432 -14.191 25.126 1.00 0.00 C ATOM 1209 CD GLN A 78 -13.803 -13.717 25.574 1.00 0.00 C ATOM 1210 OE1 GLN A 78 -14.827 -14.248 25.135 1.00 0.00 O ATOM 1211 NE2 GLN A 78 -13.835 -12.739 26.467 1.00 0.00 N ATOM 0 H GLN A 78 -11.479 -12.008 21.970 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.446 -11.511 24.581 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.724 -13.578 23.099 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -11.068 -13.998 23.491 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -12.463 -15.266 24.947 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.713 -14.022 25.927 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.965 -12.327 26.804 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.730 -12.398 26.818 1.00 0.00 H new ATOM 1220 N ARG A 79 -9.205 -11.893 24.242 1.00 0.00 N ATOM 1221 CA ARG A 79 -7.924 -11.868 24.940 1.00 0.00 C ATOM 1222 C ARG A 79 -7.458 -10.435 25.176 1.00 0.00 C ATOM 1223 O ARG A 79 -6.725 -10.152 26.125 1.00 0.00 O ATOM 1224 CB ARG A 79 -6.877 -12.646 24.133 1.00 0.00 C ATOM 1225 CG ARG A 79 -5.540 -12.816 24.842 1.00 0.00 C ATOM 1226 CD ARG A 79 -4.577 -13.651 24.010 1.00 0.00 C ATOM 1227 NE ARG A 79 -3.284 -13.823 24.669 1.00 0.00 N ATOM 1228 CZ ARG A 79 -2.194 -14.301 24.066 1.00 0.00 C ATOM 1229 NH1 ARG A 79 -2.244 -14.695 22.796 1.00 0.00 N ATOM 1230 NH2 ARG A 79 -1.056 -14.399 24.743 1.00 0.00 N ATOM 0 H ARG A 79 -9.131 -11.935 23.226 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.050 -12.343 25.913 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.277 -13.632 23.895 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.710 -12.133 23.186 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.102 -11.837 25.037 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.697 -13.293 25.809 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.019 -14.629 23.819 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.429 -13.174 23.041 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.210 -13.561 25.652 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.120 -14.633 22.277 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.407 -15.059 22.342 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.017 -14.109 25.720 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.220 -14.764 24.286 1.00 0.00 H new ATOM 1244 N ALA A 80 -7.912 -9.531 24.324 1.00 0.00 N ATOM 1245 CA ALA A 80 -7.539 -8.123 24.427 1.00 0.00 C ATOM 1246 C ALA A 80 -8.280 -7.447 25.574 1.00 0.00 C ATOM 1247 O ALA A 80 -7.809 -6.464 26.146 1.00 0.00 O ATOM 1248 CB ALA A 80 -7.822 -7.404 23.115 1.00 0.00 C ATOM 0 H ALA A 80 -8.541 -9.744 23.550 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.470 -8.067 24.634 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.539 -6.355 23.206 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.245 -7.867 22.315 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.885 -7.474 22.884 1.00 0.00 H new ATOM 1254 N ARG A 81 -9.438 -7.996 25.905 1.00 0.00 N ATOM 1255 CA ARG A 81 -10.269 -7.509 26.968 1.00 0.00 C ATOM 1256 C ARG A 81 -9.623 -7.741 28.331 1.00 0.00 C ATOM 1257 O ARG A 81 -9.906 -7.041 29.301 1.00 0.00 O ATOM 1258 CB ARG A 81 -11.574 -8.275 26.881 1.00 0.00 C ATOM 1259 CG ARG A 81 -12.690 -7.620 27.623 1.00 0.00 C ATOM 1260 CD ARG A 81 -13.914 -8.517 27.691 1.00 0.00 C ATOM 1261 NE ARG A 81 -15.028 -7.889 28.400 1.00 0.00 N ATOM 1262 CZ ARG A 81 -15.828 -8.540 29.239 1.00 0.00 C ATOM 1263 NH1 ARG A 81 -15.600 -9.815 29.528 1.00 0.00 N ATOM 1264 NH2 ARG A 81 -16.860 -7.917 29.792 1.00 0.00 N ATOM 0 H ARG A 81 -9.825 -8.809 25.426 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.422 -6.435 26.866 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.856 -8.382 25.834 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -11.425 -9.280 27.275 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -12.362 -7.373 28.633 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.952 -6.681 27.135 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.229 -8.774 26.680 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.650 -9.450 28.189 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.201 -6.896 28.242 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.808 -10.300 29.106 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.217 -10.310 30.172 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.041 -6.937 29.574 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.473 -8.418 30.435 1.00 0.00 H new ATOM 1278 N THR A 82 -8.752 -8.730 28.379 1.00 0.00 N ATOM 1279 CA THR A 82 -8.158 -9.183 29.629 1.00 0.00 C ATOM 1280 C THR A 82 -6.950 -8.329 30.038 1.00 0.00 C ATOM 1281 O THR A 82 -6.526 -8.344 31.197 1.00 0.00 O ATOM 1282 CB THR A 82 -7.737 -10.660 29.507 1.00 0.00 C ATOM 1283 OG1 THR A 82 -8.793 -11.403 28.874 1.00 0.00 O ATOM 1284 CG2 THR A 82 -7.442 -11.266 30.872 1.00 0.00 C ATOM 0 H THR A 82 -8.434 -9.243 27.557 1.00 0.00 H new ATOM 0 HA THR A 82 -8.914 -9.077 30.407 1.00 0.00 H new ATOM 0 HB THR A 82 -6.827 -10.709 28.908 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.528 -12.343 28.793 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.148 -12.309 30.751 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.632 -10.713 31.348 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.335 -11.211 31.495 1.00 0.00 H new ATOM 1292 N ARG A 83 -6.401 -7.579 29.095 1.00 0.00 N ATOM 1293 CA ARG A 83 -5.230 -6.760 29.370 1.00 0.00 C ATOM 1294 C ARG A 83 -5.493 -5.287 29.082 1.00 0.00 C ATOM 1295 O ARG A 83 -6.480 -4.930 28.440 1.00 0.00 O ATOM 1296 CB ARG A 83 -4.030 -7.233 28.548 1.00 0.00 C ATOM 1297 CG ARG A 83 -3.428 -8.541 29.037 1.00 0.00 C ATOM 1298 CD ARG A 83 -2.028 -8.756 28.480 1.00 0.00 C ATOM 1299 NE ARG A 83 -1.107 -7.702 28.909 1.00 0.00 N ATOM 1300 CZ ARG A 83 0.175 -7.623 28.538 1.00 0.00 C ATOM 1301 NH1 ARG A 83 0.707 -8.556 27.760 1.00 0.00 N ATOM 1302 NH2 ARG A 83 0.926 -6.612 28.958 1.00 0.00 N ATOM 0 H ARG A 83 -6.745 -7.520 28.137 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.007 -6.870 30.431 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.337 -7.351 27.509 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.261 -6.461 28.567 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.391 -8.540 30.126 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.070 -9.371 28.741 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.651 -9.725 28.808 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.070 -8.782 27.391 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.467 -6.980 29.533 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.137 -9.340 27.441 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.686 -8.490 27.481 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.525 -5.896 29.564 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.904 -6.551 28.675 1.00 0.00 H new ATOM 1316 N HIS A 84 -4.605 -4.441 29.584 1.00 0.00 N ATOM 1317 CA HIS A 84 -4.650 -3.012 29.318 1.00 0.00 C ATOM 1318 C HIS A 84 -3.413 -2.606 28.517 1.00 0.00 C ATOM 1319 O HIS A 84 -2.286 -2.830 28.958 1.00 0.00 O ATOM 1320 CB HIS A 84 -4.711 -2.232 30.639 1.00 0.00 C ATOM 1321 CG HIS A 84 -4.751 -0.739 30.474 1.00 0.00 C ATOM 1322 ND1 HIS A 84 -3.645 0.070 30.643 1.00 0.00 N ATOM 1323 CD2 HIS A 84 -5.774 0.092 30.160 1.00 0.00 C ATOM 1324 CE1 HIS A 84 -3.988 1.329 30.442 1.00 0.00 C ATOM 1325 NE2 HIS A 84 -5.273 1.368 30.149 1.00 0.00 N ATOM 0 H HIS A 84 -3.833 -4.727 30.187 1.00 0.00 H new ATOM 0 HA HIS A 84 -5.543 -2.779 28.738 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -5.594 -2.548 31.194 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -3.843 -2.496 31.244 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -6.794 -0.197 29.956 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -3.328 2.182 30.507 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -5.808 2.212 29.947 1.00 0.00 H new ATOM 1334 N PRO A 85 -3.605 -2.031 27.322 1.00 0.00 N ATOM 1335 CA PRO A 85 -2.498 -1.598 26.465 1.00 0.00 C ATOM 1336 C PRO A 85 -1.812 -0.339 26.990 1.00 0.00 C ATOM 1337 O PRO A 85 -2.270 0.271 27.957 1.00 0.00 O ATOM 1338 CB PRO A 85 -3.184 -1.315 25.127 1.00 0.00 C ATOM 1339 CG PRO A 85 -4.581 -0.949 25.491 1.00 0.00 C ATOM 1340 CD PRO A 85 -4.917 -1.763 26.710 1.00 0.00 C ATOM 0 HA PRO A 85 -1.707 -2.346 26.408 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.689 -0.505 24.591 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.160 -2.189 24.476 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.664 0.118 25.699 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.268 -1.168 24.673 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.572 -1.216 27.389 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.432 -2.687 26.446 1.00 0.00 H new ATOM 1348 N ALA A 86 -0.725 0.051 26.342 1.00 0.00 N ATOM 1349 CA ALA A 86 0.027 1.229 26.753 1.00 0.00 C ATOM 1350 C ALA A 86 0.067 2.263 25.636 1.00 0.00 C ATOM 1351 O ALA A 86 0.749 2.075 24.624 1.00 0.00 O ATOM 1352 CB ALA A 86 1.436 0.843 27.173 1.00 0.00 C ATOM 0 H ALA A 86 -0.343 -0.431 25.528 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.479 1.673 27.610 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.983 1.736 27.477 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.388 0.145 28.009 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.949 0.371 26.335 1.00 0.00 H new ATOM 1358 N GLU A 87 -0.664 3.352 25.822 1.00 0.00 N ATOM 1359 CA GLU A 87 -0.740 4.406 24.817 1.00 0.00 C ATOM 1360 C GLU A 87 0.584 5.153 24.717 1.00 0.00 C ATOM 1361 O GLU A 87 0.920 5.706 23.669 1.00 0.00 O ATOM 1362 CB GLU A 87 -1.885 5.373 25.138 1.00 0.00 C ATOM 1363 CG GLU A 87 -1.790 6.006 26.517 1.00 0.00 C ATOM 1364 CD GLU A 87 -3.038 6.773 26.895 1.00 0.00 C ATOM 1365 OE1 GLU A 87 -4.052 6.129 27.236 1.00 0.00 O ATOM 1366 OE2 GLU A 87 -3.016 8.016 26.856 1.00 0.00 O ATOM 0 H GLU A 87 -1.215 3.531 26.662 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.942 3.944 23.851 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.901 6.163 24.387 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.832 4.838 25.059 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.609 5.227 27.258 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.933 6.679 26.545 1.00 0.00 H new ATOM 1373 N SER A 88 1.343 5.135 25.804 1.00 0.00 N ATOM 1374 CA SER A 88 2.640 5.788 25.851 1.00 0.00 C ATOM 1375 C SER A 88 3.616 5.136 24.871 1.00 0.00 C ATOM 1376 O SER A 88 4.443 5.808 24.251 1.00 0.00 O ATOM 1377 CB SER A 88 3.185 5.719 27.277 1.00 0.00 C ATOM 1378 OG SER A 88 3.045 4.407 27.805 1.00 0.00 O ATOM 0 H SER A 88 1.078 4.670 26.672 1.00 0.00 H new ATOM 0 HA SER A 88 2.524 6.831 25.557 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.236 6.009 27.285 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.653 6.430 27.910 1.00 0.00 H new ATOM 0 HG SER A 88 3.401 4.382 28.718 1.00 0.00 H new ATOM 1384 N CYS A 89 3.501 3.822 24.730 1.00 0.00 N ATOM 1385 CA CYS A 89 4.352 3.070 23.819 1.00 0.00 C ATOM 1386 C CYS A 89 3.746 3.056 22.419 1.00 0.00 C ATOM 1387 O CYS A 89 4.452 2.901 21.422 1.00 0.00 O ATOM 1388 CB CYS A 89 4.539 1.640 24.336 1.00 0.00 C ATOM 1389 SG CYS A 89 5.734 0.652 23.400 1.00 0.00 S ATOM 0 H CYS A 89 2.823 3.253 25.238 1.00 0.00 H new ATOM 0 HA CYS A 89 5.328 3.553 23.767 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.859 1.683 25.377 1.00 0.00 H new ATOM 0 HB3 CYS A 89 3.575 1.132 24.319 1.00 0.00 H new ATOM 0 HG CYS A 89 5.739 1.038 22.159 1.00 0.00 H new ATOM 1395 N LEU A 90 2.433 3.229 22.358 1.00 0.00 N ATOM 1396 CA LEU A 90 1.715 3.244 21.086 1.00 0.00 C ATOM 1397 C LEU A 90 2.055 4.501 20.292 1.00 0.00 C ATOM 1398 O LEU A 90 2.300 4.438 19.087 1.00 0.00 O ATOM 1399 CB LEU A 90 0.203 3.165 21.326 1.00 0.00 C ATOM 1400 CG LEU A 90 -0.664 3.141 20.063 1.00 0.00 C ATOM 1401 CD1 LEU A 90 -0.387 1.887 19.248 1.00 0.00 C ATOM 1402 CD2 LEU A 90 -2.138 3.225 20.433 1.00 0.00 C ATOM 0 H LEU A 90 1.839 3.362 23.177 1.00 0.00 H new ATOM 0 HA LEU A 90 2.025 2.374 20.508 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.009 2.268 21.908 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.096 4.018 21.935 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.411 4.007 19.452 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.012 1.888 18.355 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.663 1.867 18.956 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.613 1.006 19.848 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.742 3.207 19.526 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.404 2.376 21.063 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.325 4.152 20.975 1.00 0.00 H new ATOM 1414 N GLU A 91 2.077 5.635 20.988 1.00 0.00 N ATOM 1415 CA GLU A 91 2.403 6.918 20.373 1.00 0.00 C ATOM 1416 C GLU A 91 3.868 6.955 19.938 1.00 0.00 C ATOM 1417 O GLU A 91 4.214 7.631 18.968 1.00 0.00 O ATOM 1418 CB GLU A 91 2.096 8.062 21.347 1.00 0.00 C ATOM 1419 CG GLU A 91 2.404 9.443 20.786 1.00 0.00 C ATOM 1420 CD GLU A 91 1.963 10.565 21.703 1.00 0.00 C ATOM 1421 OE1 GLU A 91 2.165 10.458 22.930 1.00 0.00 O ATOM 1422 OE2 GLU A 91 1.408 11.564 21.200 1.00 0.00 O ATOM 0 H GLU A 91 1.871 5.690 21.985 1.00 0.00 H new ATOM 0 HA GLU A 91 1.786 7.043 19.483 1.00 0.00 H new ATOM 0 HB2 GLU A 91 1.043 8.019 21.624 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.672 7.914 22.260 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.476 9.526 20.608 1.00 0.00 H new ATOM 0 HG3 GLU A 91 1.911 9.555 19.820 1.00 0.00 H new ATOM 1429 N HIS A 92 4.712 6.216 20.667 1.00 0.00 N ATOM 1430 CA HIS A 92 6.146 6.127 20.377 1.00 0.00 C ATOM 1431 C HIS A 92 6.862 7.429 20.729 1.00 0.00 C ATOM 1432 O HIS A 92 6.874 8.384 19.956 1.00 0.00 O ATOM 1433 CB HIS A 92 6.390 5.746 18.906 1.00 0.00 C ATOM 1434 CG HIS A 92 7.837 5.715 18.502 1.00 0.00 C ATOM 1435 ND1 HIS A 92 8.360 6.533 17.525 1.00 0.00 N ATOM 1436 CD2 HIS A 92 8.864 4.945 18.933 1.00 0.00 C ATOM 1437 CE1 HIS A 92 9.643 6.268 17.372 1.00 0.00 C ATOM 1438 NE2 HIS A 92 9.977 5.309 18.215 1.00 0.00 N ATOM 0 H HIS A 92 4.420 5.664 21.473 1.00 0.00 H new ATOM 0 HA HIS A 92 6.562 5.337 21.003 1.00 0.00 H new ATOM 0 HB2 HIS A 92 5.953 4.765 18.721 1.00 0.00 H new ATOM 0 HB3 HIS A 92 5.863 6.455 18.268 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.817 4.185 19.699 1.00 0.00 H new ATOM 0 HE1 HIS A 92 10.309 6.754 16.674 1.00 0.00 H new ATOM 0 HE2 HIS A 92 10.908 4.905 18.317 1.00 0.00 H new ATOM 1447 N HIS A 93 7.456 7.458 21.913 1.00 0.00 N ATOM 1448 CA HIS A 93 8.225 8.613 22.351 1.00 0.00 C ATOM 1449 C HIS A 93 9.715 8.318 22.260 1.00 0.00 C ATOM 1450 O HIS A 93 10.115 7.183 21.995 1.00 0.00 O ATOM 1451 CB HIS A 93 7.853 9.015 23.782 1.00 0.00 C ATOM 1452 CG HIS A 93 6.542 9.727 23.884 1.00 0.00 C ATOM 1453 ND1 HIS A 93 6.388 11.059 23.579 1.00 0.00 N ATOM 1454 CD2 HIS A 93 5.317 9.285 24.249 1.00 0.00 C ATOM 1455 CE1 HIS A 93 5.132 11.407 23.760 1.00 0.00 C ATOM 1456 NE2 HIS A 93 4.455 10.349 24.164 1.00 0.00 N ATOM 0 H HIS A 93 7.420 6.694 22.588 1.00 0.00 H new ATOM 0 HA HIS A 93 7.986 9.447 21.692 1.00 0.00 H new ATOM 0 HB2 HIS A 93 7.820 8.121 24.404 1.00 0.00 H new ATOM 0 HB3 HIS A 93 8.637 9.656 24.186 1.00 0.00 H new ATOM 0 HD2 HIS A 93 5.064 8.280 24.552 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.723 12.394 23.604 1.00 0.00 H new ATOM 0 HE2 HIS A 93 3.458 10.326 24.377 1.00 0.00 H new ATOM 1465 N HIS A 94 10.530 9.334 22.498 1.00 0.00 N ATOM 1466 CA HIS A 94 11.978 9.196 22.382 1.00 0.00 C ATOM 1467 C HIS A 94 12.583 8.565 23.630 1.00 0.00 C ATOM 1468 O HIS A 94 12.913 9.255 24.596 1.00 0.00 O ATOM 1469 CB HIS A 94 12.639 10.547 22.097 1.00 0.00 C ATOM 1470 CG HIS A 94 12.485 11.004 20.677 1.00 0.00 C ATOM 1471 ND1 HIS A 94 13.524 11.003 19.776 1.00 0.00 N ATOM 1472 CD2 HIS A 94 11.407 11.470 20.001 1.00 0.00 C ATOM 1473 CE1 HIS A 94 13.099 11.450 18.610 1.00 0.00 C ATOM 1474 NE2 HIS A 94 11.817 11.740 18.719 1.00 0.00 N ATOM 0 H HIS A 94 10.216 10.265 22.773 1.00 0.00 H new ATOM 0 HA HIS A 94 12.171 8.531 21.540 1.00 0.00 H new ATOM 0 HB2 HIS A 94 12.211 11.299 22.760 1.00 0.00 H new ATOM 0 HB3 HIS A 94 13.701 10.480 22.335 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.411 11.604 20.397 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.698 11.560 17.718 1.00 0.00 H new ATOM 0 HE2 HIS A 94 11.226 12.105 17.972 1.00 0.00 H new ATOM 1483 N HIS A 95 12.678 7.245 23.607 1.00 0.00 N ATOM 1484 CA HIS A 95 13.357 6.485 24.646 1.00 0.00 C ATOM 1485 C HIS A 95 13.584 5.067 24.149 1.00 0.00 C ATOM 1486 O HIS A 95 12.819 4.573 23.315 1.00 0.00 O ATOM 1487 CB HIS A 95 12.572 6.483 25.974 1.00 0.00 C ATOM 1488 CG HIS A 95 11.261 5.749 25.956 1.00 0.00 C ATOM 1489 ND1 HIS A 95 10.042 6.388 25.968 1.00 0.00 N ATOM 1490 CD2 HIS A 95 10.986 4.423 25.983 1.00 0.00 C ATOM 1491 CE1 HIS A 95 9.076 5.489 26.001 1.00 0.00 C ATOM 1492 NE2 HIS A 95 9.620 4.286 26.012 1.00 0.00 N ATOM 0 H HIS A 95 12.285 6.667 22.864 1.00 0.00 H new ATOM 0 HA HIS A 95 14.314 6.963 24.855 1.00 0.00 H new ATOM 0 HB2 HIS A 95 13.203 6.043 26.747 1.00 0.00 H new ATOM 0 HB3 HIS A 95 12.385 7.516 26.265 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.709 3.620 25.982 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.017 5.702 26.016 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.111 3.403 26.038 1.00 0.00 H new ATOM 1501 N HIS A 96 14.625 4.419 24.647 1.00 0.00 N ATOM 1502 CA HIS A 96 14.958 3.074 24.204 1.00 0.00 C ATOM 1503 C HIS A 96 13.930 2.079 24.737 1.00 0.00 C ATOM 1504 O HIS A 96 13.498 2.170 25.888 1.00 0.00 O ATOM 1505 CB HIS A 96 16.391 2.685 24.626 1.00 0.00 C ATOM 1506 CG HIS A 96 16.564 2.309 26.075 1.00 0.00 C ATOM 1507 ND1 HIS A 96 17.322 1.232 26.480 1.00 0.00 N ATOM 1508 CD2 HIS A 96 16.086 2.872 27.210 1.00 0.00 C ATOM 1509 CE1 HIS A 96 17.291 1.142 27.795 1.00 0.00 C ATOM 1510 NE2 HIS A 96 16.547 2.127 28.268 1.00 0.00 N ATOM 0 H HIS A 96 15.252 4.800 25.355 1.00 0.00 H new ATOM 0 HA HIS A 96 14.927 3.049 23.115 1.00 0.00 H new ATOM 0 HB2 HIS A 96 16.717 1.847 24.010 1.00 0.00 H new ATOM 0 HB3 HIS A 96 17.055 3.520 24.404 1.00 0.00 H new ATOM 0 HD2 HIS A 96 15.457 3.748 27.272 1.00 0.00 H new ATOM 0 HE1 HIS A 96 17.790 0.389 28.387 1.00 0.00 H new ATOM 0 HE2 HIS A 96 16.349 2.304 29.253 1.00 0.00 H new ATOM 1519 N HIS A 97 13.508 1.165 23.885 1.00 0.00 N ATOM 1520 CA HIS A 97 12.537 0.157 24.270 1.00 0.00 C ATOM 1521 C HIS A 97 13.117 -1.233 24.059 1.00 0.00 C ATOM 1522 O HIS A 97 13.524 -1.863 25.054 1.00 0.00 O ATOM 1523 CB HIS A 97 11.245 0.325 23.463 1.00 0.00 C ATOM 1524 CG HIS A 97 10.174 -0.656 23.825 1.00 0.00 C ATOM 1525 ND1 HIS A 97 9.451 -0.580 24.991 1.00 0.00 N ATOM 1526 CD2 HIS A 97 9.703 -1.740 23.166 1.00 0.00 C ATOM 1527 CE1 HIS A 97 8.584 -1.573 25.037 1.00 0.00 C ATOM 1528 NE2 HIS A 97 8.714 -2.295 23.941 1.00 0.00 N ATOM 1529 OXT HIS A 97 13.168 -1.680 22.896 1.00 0.00 O ATOM 0 H HIS A 97 13.823 1.099 22.917 1.00 0.00 H new ATOM 0 HA HIS A 97 12.302 0.282 25.327 1.00 0.00 H new ATOM 0 HB2 HIS A 97 10.864 1.335 23.611 1.00 0.00 H new ATOM 0 HB3 HIS A 97 11.474 0.223 22.402 1.00 0.00 H new ATOM 0 HD2 HIS A 97 10.042 -2.102 22.207 1.00 0.00 H new ATOM 0 HE1 HIS A 97 7.885 -1.763 25.838 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.171 -3.126 23.708 1.00 0.00 H new TER 1538 HIS A 97