USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 777 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 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.289 K(o=0.6,f=-0.81) USER MOD Set 1.3: A 81 THR OG1 : rot -116:sc= 0.311 USER MOD Set 2.1: A 72 LYS NZ :NH3+ -160:sc= 0.551 (180deg=0) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= 0.498 USER MOD Set 3.1: A 1 MET CE :methyl -155:sc= -0.287 (180deg=-1.09) USER MOD Set 3.2: A 57 TYR OH : rot -12:sc= 0.111 USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.00228 (180deg=-0.21) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 1.12 K(o=1.1,f=-0.03) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -2.09 F(o=-3.5!,f=-2.1) USER MOD Single : A 29 THR OG1 : rot 170:sc= -0.739 USER MOD Single : A 30 SER OG : rot 94:sc= 1.16 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0411) USER MOD Single : A 39 SER OG : rot 71:sc= 0.662 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 71:sc= 1.2 USER MOD Single : A 49 ASN : amide:sc= -0.604 K(o=-0.6,f=-3.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 1.12 K(o=1.1,f=-0.015) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 149:sc= -1.16 (180deg=-2.93!) USER MOD Single : A 75 HIS : no HD1:sc= -2.49! X(o=-2.5!,f=-2.3) USER MOD Single : A 83 LYS NZ :NH3+ -159:sc= -0.0821 (180deg=-0.927) USER MOD Single : A 84 ASN : amide:sc= -2.01! C(o=-2!,f=-9.6!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 1.04 K(o=1,f=-2.6!) USER MOD Single : A 97 THR OG1 : rot 23:sc= 0.757 USER MOD Single : A 98 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.876 6.901 -7.141 1.00 0.00 N ATOM 2 CA MET A 1 -12.736 7.661 -7.700 1.00 0.00 C ATOM 3 C MET A 1 -12.753 9.100 -7.192 1.00 0.00 C ATOM 4 O MET A 1 -11.706 9.732 -7.055 1.00 0.00 O ATOM 5 CB MET A 1 -12.786 7.629 -9.230 1.00 0.00 C ATOM 6 CG MET A 1 -11.593 8.291 -9.898 1.00 0.00 C ATOM 7 SD MET A 1 -11.553 8.000 -11.676 1.00 0.00 S ATOM 8 CE MET A 1 -11.412 6.214 -11.721 1.00 0.00 C ATOM 0 H1 MET A 1 -13.733 5.885 -7.312 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.940 7.074 -6.118 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.757 7.209 -7.600 1.00 0.00 H new ATOM 0 HA MET A 1 -11.807 7.195 -7.371 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.846 6.592 -9.560 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.698 8.123 -9.565 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.623 9.364 -9.709 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.674 7.914 -9.450 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.943 5.909 -12.657 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.802 5.876 -10.883 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.404 5.769 -11.651 1.00 0.00 H new ATOM 18 N LYS A 2 -13.949 9.613 -6.919 1.00 0.00 N ATOM 19 CA LYS A 2 -14.097 10.942 -6.342 1.00 0.00 C ATOM 20 C LYS A 2 -13.659 10.941 -4.883 1.00 0.00 C ATOM 21 O LYS A 2 -12.853 11.772 -4.467 1.00 0.00 O ATOM 22 CB LYS A 2 -15.555 11.412 -6.462 1.00 0.00 C ATOM 23 CG LYS A 2 -15.900 12.631 -5.611 1.00 0.00 C ATOM 24 CD LYS A 2 -15.073 13.849 -5.991 1.00 0.00 C ATOM 25 CE LYS A 2 -15.414 14.358 -7.381 1.00 0.00 C ATOM 26 NZ LYS A 2 -14.643 15.582 -7.719 1.00 0.00 N ATOM 0 H LYS A 2 -14.829 9.127 -7.089 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.460 11.634 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.764 11.643 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -16.213 10.590 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.959 12.863 -5.724 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.736 12.396 -4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.241 14.643 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.014 13.596 -5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.204 13.581 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.481 14.572 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.901 15.902 -8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.863 16.331 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.625 15.371 -7.687 1.00 0.00 H new ATOM 40 N SER A 3 -14.179 10.000 -4.117 1.00 0.00 N ATOM 41 CA SER A 3 -13.885 9.935 -2.699 1.00 0.00 C ATOM 42 C SER A 3 -12.663 9.063 -2.431 1.00 0.00 C ATOM 43 O SER A 3 -12.767 7.839 -2.323 1.00 0.00 O ATOM 44 CB SER A 3 -15.095 9.399 -1.934 1.00 0.00 C ATOM 45 OG SER A 3 -16.256 10.161 -2.229 1.00 0.00 O ATOM 0 H SER A 3 -14.807 9.270 -4.454 1.00 0.00 H new ATOM 0 HA SER A 3 -13.663 10.944 -2.352 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.264 8.355 -2.197 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.897 9.430 -0.863 1.00 0.00 H new ATOM 0 HG SER A 3 -17.019 9.801 -1.731 1.00 0.00 H new ATOM 51 N SER A 4 -11.504 9.696 -2.371 1.00 0.00 N ATOM 52 CA SER A 4 -10.285 9.016 -1.979 1.00 0.00 C ATOM 53 C SER A 4 -10.078 9.189 -0.479 1.00 0.00 C ATOM 54 O SER A 4 -10.300 10.270 0.067 1.00 0.00 O ATOM 55 CB SER A 4 -9.089 9.547 -2.772 1.00 0.00 C ATOM 56 OG SER A 4 -9.236 9.266 -4.157 1.00 0.00 O ATOM 0 H SER A 4 -11.383 10.685 -2.590 1.00 0.00 H new ATOM 0 HA SER A 4 -10.373 7.953 -2.203 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.997 10.623 -2.623 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.170 9.094 -2.400 1.00 0.00 H new ATOM 0 HG SER A 4 -8.462 9.615 -4.646 1.00 0.00 H new ATOM 62 N ILE A 5 -9.646 8.126 0.175 1.00 0.00 N ATOM 63 CA ILE A 5 -9.665 8.057 1.629 1.00 0.00 C ATOM 64 C ILE A 5 -8.266 8.282 2.198 1.00 0.00 C ATOM 65 O ILE A 5 -7.291 7.782 1.641 1.00 0.00 O ATOM 66 CB ILE A 5 -10.201 6.678 2.091 1.00 0.00 C ATOM 67 CG1 ILE A 5 -11.500 6.337 1.353 1.00 0.00 C ATOM 68 CG2 ILE A 5 -10.436 6.661 3.595 1.00 0.00 C ATOM 69 CD1 ILE A 5 -12.044 4.961 1.675 1.00 0.00 C ATOM 0 H ILE A 5 -9.275 7.292 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.324 8.842 2.000 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.449 5.926 1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.255 7.083 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.326 6.406 0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.812 5.682 3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.498 6.863 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.167 7.426 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.964 4.793 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.308 4.205 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.252 4.893 2.743 1.00 0.00 H new ATOM 81 N PRO A 6 -8.147 9.051 3.297 1.00 0.00 N ATOM 82 CA PRO A 6 -6.860 9.301 3.948 1.00 0.00 C ATOM 83 C PRO A 6 -6.313 8.054 4.633 1.00 0.00 C ATOM 84 O PRO A 6 -7.059 7.116 4.937 1.00 0.00 O ATOM 85 CB PRO A 6 -7.180 10.383 4.980 1.00 0.00 C ATOM 86 CG PRO A 6 -8.627 10.212 5.271 1.00 0.00 C ATOM 87 CD PRO A 6 -9.251 9.739 3.989 1.00 0.00 C ATOM 0 HA PRO A 6 -6.092 9.597 3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.578 10.261 5.881 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.970 11.378 4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.782 9.488 6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.073 11.151 5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.088 9.066 4.175 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.636 10.571 3.400 1.00 0.00 H new ATOM 95 N ILE A 7 -5.016 8.056 4.896 1.00 0.00 N ATOM 96 CA ILE A 7 -4.343 6.884 5.429 1.00 0.00 C ATOM 97 C ILE A 7 -4.796 6.581 6.857 1.00 0.00 C ATOM 98 O ILE A 7 -4.772 5.430 7.286 1.00 0.00 O ATOM 99 CB ILE A 7 -2.803 7.040 5.372 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.119 5.713 5.712 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.329 8.138 6.311 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.525 4.582 4.797 1.00 0.00 C ATOM 0 H ILE A 7 -4.407 8.860 4.748 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.622 6.040 4.798 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.530 7.324 4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.038 5.845 5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.357 5.442 6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.244 8.225 6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.786 9.085 6.024 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.617 7.892 7.333 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.005 3.671 5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.601 4.425 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.262 4.833 3.769 1.00 0.00 H new ATOM 114 N THR A 8 -5.247 7.605 7.576 1.00 0.00 N ATOM 115 CA THR A 8 -5.713 7.432 8.949 1.00 0.00 C ATOM 116 C THR A 8 -6.913 6.476 9.012 1.00 0.00 C ATOM 117 O THR A 8 -7.229 5.921 10.063 1.00 0.00 O ATOM 118 CB THR A 8 -6.084 8.794 9.587 1.00 0.00 C ATOM 119 OG1 THR A 8 -6.354 8.639 10.988 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.296 9.411 8.903 1.00 0.00 C ATOM 0 H THR A 8 -5.300 8.563 7.231 1.00 0.00 H new ATOM 0 HA THR A 8 -4.893 6.994 9.518 1.00 0.00 H new ATOM 0 HB THR A 8 -5.231 9.460 9.455 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.585 9.509 11.375 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.532 10.366 9.373 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.076 9.570 7.847 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.149 8.739 8.998 1.00 0.00 H new ATOM 128 N GLU A 9 -7.570 6.284 7.876 1.00 0.00 N ATOM 129 CA GLU A 9 -8.684 5.355 7.786 1.00 0.00 C ATOM 130 C GLU A 9 -8.245 4.059 7.119 1.00 0.00 C ATOM 131 O GLU A 9 -8.509 2.966 7.621 1.00 0.00 O ATOM 132 CB GLU A 9 -9.837 5.979 6.998 1.00 0.00 C ATOM 133 CG GLU A 9 -10.526 7.123 7.722 1.00 0.00 C ATOM 134 CD GLU A 9 -11.227 6.667 8.983 1.00 0.00 C ATOM 135 OE1 GLU A 9 -12.305 6.048 8.877 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.702 6.920 10.086 1.00 0.00 O ATOM 0 H GLU A 9 -7.348 6.762 7.002 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.026 5.133 8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.457 6.342 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.573 5.206 6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.790 7.886 7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.251 7.588 7.054 1.00 0.00 H new ATOM 143 N VAL A 10 -7.548 4.187 5.999 1.00 0.00 N ATOM 144 CA VAL A 10 -7.191 3.029 5.190 1.00 0.00 C ATOM 145 C VAL A 10 -6.139 2.153 5.872 1.00 0.00 C ATOM 146 O VAL A 10 -6.160 0.938 5.719 1.00 0.00 O ATOM 147 CB VAL A 10 -6.700 3.454 3.791 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.248 2.249 2.979 1.00 0.00 C ATOM 149 CG2 VAL A 10 -7.801 4.202 3.056 1.00 0.00 C ATOM 0 H VAL A 10 -7.219 5.079 5.630 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.099 2.436 5.078 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.843 4.116 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.907 2.579 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.431 1.747 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.082 1.557 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.444 4.498 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.671 3.555 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.078 5.091 3.623 1.00 0.00 H new ATOM 159 N LEU A 11 -5.240 2.766 6.635 1.00 0.00 N ATOM 160 CA LEU A 11 -4.183 2.027 7.325 1.00 0.00 C ATOM 161 C LEU A 11 -4.755 0.874 8.174 1.00 0.00 C ATOM 162 O LEU A 11 -4.449 -0.291 7.908 1.00 0.00 O ATOM 163 CB LEU A 11 -3.333 2.990 8.171 1.00 0.00 C ATOM 164 CG LEU A 11 -2.505 2.351 9.287 1.00 0.00 C ATOM 165 CD1 LEU A 11 -1.500 1.362 8.720 1.00 0.00 C ATOM 166 CD2 LEU A 11 -1.800 3.423 10.100 1.00 0.00 C ATOM 0 H LEU A 11 -5.220 3.774 6.793 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.538 1.570 6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.656 3.526 7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.996 3.732 8.617 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.181 1.804 9.944 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.924 0.922 9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.028 0.575 8.182 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.826 1.879 8.037 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.214 2.954 10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.139 3.996 9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.540 4.089 10.543 1.00 0.00 H new ATOM 178 N PRO A 12 -5.590 1.158 9.196 1.00 0.00 N ATOM 179 CA PRO A 12 -6.189 0.107 10.022 1.00 0.00 C ATOM 180 C PRO A 12 -7.231 -0.725 9.272 1.00 0.00 C ATOM 181 O PRO A 12 -7.459 -1.889 9.606 1.00 0.00 O ATOM 182 CB PRO A 12 -6.849 0.879 11.167 1.00 0.00 C ATOM 183 CG PRO A 12 -7.099 2.239 10.620 1.00 0.00 C ATOM 184 CD PRO A 12 -5.985 2.505 9.653 1.00 0.00 C ATOM 0 HA PRO A 12 -5.440 -0.615 10.348 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.778 0.403 11.480 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.200 0.919 12.042 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.068 2.288 10.123 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.111 2.984 11.416 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.316 3.129 8.823 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.155 3.025 10.131 1.00 0.00 H new ATOM 192 N ARG A 13 -7.864 -0.136 8.261 1.00 0.00 N ATOM 193 CA ARG A 13 -8.913 -0.826 7.518 1.00 0.00 C ATOM 194 C ARG A 13 -8.349 -1.667 6.368 1.00 0.00 C ATOM 195 O ARG A 13 -9.106 -2.284 5.619 1.00 0.00 O ATOM 196 CB ARG A 13 -9.919 0.186 6.972 1.00 0.00 C ATOM 197 CG ARG A 13 -10.722 0.909 8.045 1.00 0.00 C ATOM 198 CD ARG A 13 -11.687 1.908 7.423 1.00 0.00 C ATOM 199 NE ARG A 13 -12.472 2.637 8.419 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.803 2.747 8.383 1.00 0.00 C ATOM 201 NH1 ARG A 13 -14.504 2.091 7.461 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.436 3.499 9.275 1.00 0.00 N ATOM 0 H ARG A 13 -7.670 0.812 7.939 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.409 -1.505 8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.386 0.925 6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.609 -0.329 6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.277 0.184 8.640 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.045 1.427 8.724 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.125 2.620 6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.363 1.381 6.749 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.974 3.088 9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.025 1.502 6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.520 2.177 7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.906 3.996 9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.452 3.580 9.244 1.00 0.00 H new ATOM 216 N ALA A 14 -7.030 -1.685 6.221 1.00 0.00 N ATOM 217 CA ALA A 14 -6.394 -2.452 5.154 1.00 0.00 C ATOM 218 C ALA A 14 -5.962 -3.827 5.648 1.00 0.00 C ATOM 219 O ALA A 14 -5.613 -3.995 6.817 1.00 0.00 O ATOM 220 CB ALA A 14 -5.196 -1.702 4.589 1.00 0.00 C ATOM 0 H ALA A 14 -6.381 -1.180 6.824 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.130 -2.586 4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.738 -2.293 3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.524 -0.744 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.467 -1.531 5.381 1.00 0.00 H new ATOM 226 N VAL A 15 -5.981 -4.800 4.749 1.00 0.00 N ATOM 227 CA VAL A 15 -5.605 -6.169 5.082 1.00 0.00 C ATOM 228 C VAL A 15 -4.373 -6.604 4.287 1.00 0.00 C ATOM 229 O VAL A 15 -3.946 -7.759 4.348 1.00 0.00 O ATOM 230 CB VAL A 15 -6.764 -7.151 4.810 1.00 0.00 C ATOM 231 CG1 VAL A 15 -7.926 -6.881 5.754 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.220 -7.056 3.360 1.00 0.00 C ATOM 0 H VAL A 15 -6.255 -4.666 3.776 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.371 -6.190 6.146 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.403 -8.164 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.734 -7.583 5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.594 -7.004 6.785 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.285 -5.862 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.038 -7.756 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.561 -6.042 3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.388 -7.302 2.700 1.00 0.00 H new ATOM 242 N GLY A 16 -3.816 -5.672 3.534 1.00 0.00 N ATOM 243 CA GLY A 16 -2.624 -5.943 2.761 1.00 0.00 C ATOM 244 C GLY A 16 -1.881 -4.668 2.442 1.00 0.00 C ATOM 245 O GLY A 16 -2.488 -3.598 2.393 1.00 0.00 O ATOM 0 H GLY A 16 -4.173 -4.721 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.973 -6.618 3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.895 -6.451 1.835 1.00 0.00 H new ATOM 249 N SER A 17 -0.580 -4.762 2.231 1.00 0.00 N ATOM 250 CA SER A 17 0.219 -3.579 1.966 1.00 0.00 C ATOM 251 C SER A 17 1.389 -3.878 1.033 1.00 0.00 C ATOM 252 O SER A 17 2.169 -4.805 1.262 1.00 0.00 O ATOM 253 CB SER A 17 0.720 -2.992 3.288 1.00 0.00 C ATOM 254 OG SER A 17 1.229 -4.009 4.137 1.00 0.00 O ATOM 0 H SER A 17 -0.058 -5.638 2.238 1.00 0.00 H new ATOM 0 HA SER A 17 -0.413 -2.849 1.460 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.498 -2.255 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.094 -2.469 3.789 1.00 0.00 H new ATOM 0 HG SER A 17 1.544 -3.609 4.974 1.00 0.00 H new ATOM 260 N LEU A 18 1.485 -3.092 -0.030 1.00 0.00 N ATOM 261 CA LEU A 18 2.613 -3.164 -0.942 1.00 0.00 C ATOM 262 C LEU A 18 3.487 -1.931 -0.784 1.00 0.00 C ATOM 263 O LEU A 18 3.049 -0.813 -1.045 1.00 0.00 O ATOM 264 CB LEU A 18 2.143 -3.276 -2.390 1.00 0.00 C ATOM 265 CG LEU A 18 1.930 -4.699 -2.899 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.284 -4.684 -4.274 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.254 -5.442 -2.953 1.00 0.00 C ATOM 0 H LEU A 18 0.787 -2.392 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 18 3.190 -4.056 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.207 -2.727 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.875 -2.784 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 18 1.263 -5.215 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.140 -5.708 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.318 -4.181 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.929 -4.152 -4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.088 -6.456 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.936 -4.922 -3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.689 -5.482 -1.955 1.00 0.00 H new ATOM 279 N THR A 19 4.711 -2.137 -0.355 1.00 0.00 N ATOM 280 CA THR A 19 5.633 -1.042 -0.139 1.00 0.00 C ATOM 281 C THR A 19 6.516 -0.831 -1.363 1.00 0.00 C ATOM 282 O THR A 19 7.299 -1.702 -1.728 1.00 0.00 O ATOM 283 CB THR A 19 6.516 -1.305 1.092 1.00 0.00 C ATOM 284 OG1 THR A 19 5.686 -1.629 2.215 1.00 0.00 O ATOM 285 CG2 THR A 19 7.372 -0.091 1.424 1.00 0.00 C ATOM 0 H THR A 19 5.095 -3.059 -0.147 1.00 0.00 H new ATOM 0 HA THR A 19 5.043 -0.142 0.034 1.00 0.00 H new ATOM 0 HB THR A 19 7.180 -2.139 0.866 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.248 -1.798 2.999 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.986 -0.307 2.299 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.017 0.142 0.577 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.727 0.762 1.635 1.00 0.00 H new ATOM 293 N PHE A 20 6.361 0.318 -1.993 1.00 0.00 N ATOM 294 CA PHE A 20 7.148 0.688 -3.158 1.00 0.00 C ATOM 295 C PHE A 20 8.155 1.769 -2.797 1.00 0.00 C ATOM 296 O PHE A 20 7.976 2.511 -1.828 1.00 0.00 O ATOM 297 CB PHE A 20 6.246 1.216 -4.281 1.00 0.00 C ATOM 298 CG PHE A 20 5.447 0.173 -4.996 1.00 0.00 C ATOM 299 CD1 PHE A 20 4.405 -0.482 -4.367 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.736 -0.138 -6.312 1.00 0.00 C ATOM 301 CE1 PHE A 20 3.665 -1.434 -5.039 1.00 0.00 C ATOM 302 CE2 PHE A 20 5.000 -1.087 -6.988 1.00 0.00 C ATOM 303 CZ PHE A 20 3.963 -1.735 -6.349 1.00 0.00 C ATOM 0 H PHE A 20 5.683 1.026 -1.711 1.00 0.00 H new ATOM 0 HA PHE A 20 7.670 -0.206 -3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.560 1.951 -3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.866 1.739 -5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.168 -0.247 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.547 0.368 -6.815 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.854 -1.942 -4.538 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.234 -1.323 -8.016 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.385 -2.479 -6.877 1.00 0.00 H new ATOM 313 N ASP A 21 9.209 1.852 -3.579 1.00 0.00 N ATOM 314 CA ASP A 21 10.183 2.914 -3.434 1.00 0.00 C ATOM 315 C ASP A 21 9.741 4.121 -4.253 1.00 0.00 C ATOM 316 O ASP A 21 8.823 4.016 -5.065 1.00 0.00 O ATOM 317 CB ASP A 21 11.561 2.421 -3.887 1.00 0.00 C ATOM 318 CG ASP A 21 12.628 3.488 -3.806 1.00 0.00 C ATOM 319 OD1 ASP A 21 13.045 3.835 -2.684 1.00 0.00 O ATOM 320 OD2 ASP A 21 13.040 3.999 -4.866 1.00 0.00 O ATOM 0 H ASP A 21 9.415 1.191 -4.328 1.00 0.00 H new ATOM 0 HA ASP A 21 10.254 3.209 -2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.857 1.572 -3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.492 2.061 -4.914 1.00 0.00 H new ATOM 325 N GLU A 22 10.381 5.266 -4.045 1.00 0.00 N ATOM 326 CA GLU A 22 10.045 6.472 -4.783 1.00 0.00 C ATOM 327 C GLU A 22 10.345 6.296 -6.272 1.00 0.00 C ATOM 328 O GLU A 22 9.795 7.004 -7.114 1.00 0.00 O ATOM 329 CB GLU A 22 10.802 7.670 -4.215 1.00 0.00 C ATOM 330 CG GLU A 22 12.312 7.509 -4.226 1.00 0.00 C ATOM 331 CD GLU A 22 13.019 8.716 -3.651 1.00 0.00 C ATOM 332 OE1 GLU A 22 13.084 9.752 -4.340 1.00 0.00 O ATOM 333 OE2 GLU A 22 13.512 8.634 -2.507 1.00 0.00 O ATOM 0 H GLU A 22 11.136 5.382 -3.370 1.00 0.00 H new ATOM 0 HA GLU A 22 8.976 6.658 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.538 8.559 -4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.473 7.842 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.585 6.623 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.651 7.345 -5.249 1.00 0.00 H new ATOM 340 N ASN A 23 11.209 5.338 -6.589 1.00 0.00 N ATOM 341 CA ASN A 23 11.519 5.007 -7.970 1.00 0.00 C ATOM 342 C ASN A 23 10.550 3.953 -8.505 1.00 0.00 C ATOM 343 O ASN A 23 10.817 3.307 -9.516 1.00 0.00 O ATOM 344 CB ASN A 23 12.959 4.509 -8.085 1.00 0.00 C ATOM 345 CG ASN A 23 13.981 5.593 -7.798 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.402 6.318 -8.700 1.00 0.00 O ATOM 347 ND2 ASN A 23 14.390 5.704 -6.542 1.00 0.00 N ATOM 0 H ASN A 23 11.709 4.775 -5.901 1.00 0.00 H new ATOM 0 HA ASN A 23 11.410 5.910 -8.571 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.109 3.682 -7.391 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.124 4.117 -9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.080 6.412 -6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.014 5.082 -5.826 1.00 0.00 H new ATOM 354 N TYR A 24 9.429 3.780 -7.796 1.00 0.00 N ATOM 355 CA TYR A 24 8.315 2.934 -8.242 1.00 0.00 C ATOM 356 C TYR A 24 8.694 1.456 -8.316 1.00 0.00 C ATOM 357 O TYR A 24 8.059 0.676 -9.025 1.00 0.00 O ATOM 358 CB TYR A 24 7.788 3.422 -9.596 1.00 0.00 C ATOM 359 CG TYR A 24 7.435 4.893 -9.601 1.00 0.00 C ATOM 360 CD1 TYR A 24 6.371 5.374 -8.851 1.00 0.00 C ATOM 361 CD2 TYR A 24 8.181 5.801 -10.343 1.00 0.00 C ATOM 362 CE1 TYR A 24 6.057 6.720 -8.842 1.00 0.00 C ATOM 363 CE2 TYR A 24 7.875 7.147 -10.338 1.00 0.00 C ATOM 364 CZ TYR A 24 6.813 7.602 -9.587 1.00 0.00 C ATOM 365 OH TYR A 24 6.508 8.944 -9.581 1.00 0.00 O ATOM 0 H TYR A 24 9.268 4.225 -6.892 1.00 0.00 H new ATOM 0 HA TYR A 24 7.526 3.021 -7.495 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.540 3.233 -10.362 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.906 2.842 -9.866 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.779 4.686 -8.265 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.014 5.448 -10.933 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.225 7.079 -8.255 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.465 7.840 -10.920 1.00 0.00 H new ATOM 0 HH TYR A 24 7.138 9.425 -10.157 1.00 0.00 H new ATOM 375 N ASN A 25 9.711 1.065 -7.567 1.00 0.00 N ATOM 376 CA ASN A 25 10.103 -0.335 -7.496 1.00 0.00 C ATOM 377 C ASN A 25 9.594 -0.955 -6.201 1.00 0.00 C ATOM 378 O ASN A 25 9.631 -0.317 -5.149 1.00 0.00 O ATOM 379 CB ASN A 25 11.625 -0.495 -7.607 1.00 0.00 C ATOM 380 CG ASN A 25 12.386 0.317 -6.579 1.00 0.00 C ATOM 381 OD1 ASN A 25 12.757 1.528 -6.950 1.00 0.00 O flip ATOM 382 ND2 ASN A 25 12.656 -0.145 -5.472 1.00 0.00 N flip ATOM 0 H ASN A 25 10.280 1.694 -7.000 1.00 0.00 H new ATOM 0 HA ASN A 25 9.653 -0.857 -8.341 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.883 -1.548 -7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.944 -0.196 -8.606 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.351 -1.086 -5.224 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.185 0.413 -4.802 1.00 0.00 H new ATOM 389 N LEU A 26 9.090 -2.177 -6.288 1.00 0.00 N ATOM 390 CA LEU A 26 8.552 -2.866 -5.127 1.00 0.00 C ATOM 391 C LEU A 26 9.647 -3.190 -4.114 1.00 0.00 C ATOM 392 O LEU A 26 10.724 -3.670 -4.472 1.00 0.00 O ATOM 393 CB LEU A 26 7.841 -4.150 -5.559 1.00 0.00 C ATOM 394 CG LEU A 26 7.281 -4.995 -4.414 1.00 0.00 C ATOM 395 CD1 LEU A 26 6.328 -4.173 -3.563 1.00 0.00 C ATOM 396 CD2 LEU A 26 6.582 -6.228 -4.958 1.00 0.00 C ATOM 0 H LEU A 26 9.043 -2.713 -7.155 1.00 0.00 H new ATOM 0 HA LEU A 26 7.835 -2.201 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.023 -3.887 -6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.540 -4.759 -6.132 1.00 0.00 H new ATOM 0 HG LEU A 26 8.111 -5.319 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.939 -4.790 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.859 -3.318 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.501 -3.820 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.189 -6.819 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.762 -5.924 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.293 -6.828 -5.527 1.00 0.00 H new ATOM 408 N LEU A 27 9.358 -2.915 -2.852 1.00 0.00 N ATOM 409 CA LEU A 27 10.274 -3.204 -1.761 1.00 0.00 C ATOM 410 C LEU A 27 9.744 -4.349 -0.904 1.00 0.00 C ATOM 411 O LEU A 27 10.394 -5.383 -0.761 1.00 0.00 O ATOM 412 CB LEU A 27 10.463 -1.962 -0.885 1.00 0.00 C ATOM 413 CG LEU A 27 10.965 -0.716 -1.613 1.00 0.00 C ATOM 414 CD1 LEU A 27 10.964 0.479 -0.673 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.359 -0.953 -2.174 1.00 0.00 C ATOM 0 H LEU A 27 8.482 -2.485 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 27 11.232 -3.495 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.511 -1.725 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.166 -2.204 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 27 10.293 -0.504 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.324 1.360 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.950 0.660 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.617 0.275 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.701 -0.056 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.044 -1.187 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.332 -1.786 -2.876 1.00 0.00 H new ATOM 427 N ASP A 28 8.544 -4.168 -0.362 1.00 0.00 N ATOM 428 CA ASP A 28 7.983 -5.119 0.594 1.00 0.00 C ATOM 429 C ASP A 28 6.555 -5.496 0.234 1.00 0.00 C ATOM 430 O ASP A 28 5.758 -4.644 -0.156 1.00 0.00 O ATOM 431 CB ASP A 28 8.014 -4.524 2.005 1.00 0.00 C ATOM 432 CG ASP A 28 7.348 -5.415 3.034 1.00 0.00 C ATOM 433 OD1 ASP A 28 7.982 -6.398 3.472 1.00 0.00 O ATOM 434 OD2 ASP A 28 6.196 -5.125 3.430 1.00 0.00 O ATOM 0 H ASP A 28 7.940 -3.372 -0.568 1.00 0.00 H new ATOM 0 HA ASP A 28 8.593 -6.022 0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.049 -4.350 2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.518 -3.554 1.996 1.00 0.00 H new ATOM 439 N THR A 29 6.244 -6.776 0.361 1.00 0.00 N ATOM 440 CA THR A 29 4.899 -7.269 0.129 1.00 0.00 C ATOM 441 C THR A 29 4.363 -7.947 1.389 1.00 0.00 C ATOM 442 O THR A 29 4.910 -8.957 1.836 1.00 0.00 O ATOM 443 CB THR A 29 4.888 -8.278 -1.030 1.00 0.00 C ATOM 444 OG1 THR A 29 5.654 -7.768 -2.129 1.00 0.00 O ATOM 445 CG2 THR A 29 3.466 -8.564 -1.482 1.00 0.00 C ATOM 0 H THR A 29 6.914 -7.498 0.626 1.00 0.00 H new ATOM 0 HA THR A 29 4.265 -6.421 -0.128 1.00 0.00 H new ATOM 0 HB THR A 29 5.334 -9.209 -0.680 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.779 -8.475 -2.797 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.482 -9.281 -2.303 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.896 -8.978 -0.650 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.998 -7.639 -1.817 1.00 0.00 H new ATOM 453 N SER A 30 3.303 -7.396 1.965 1.00 0.00 N ATOM 454 CA SER A 30 2.739 -7.943 3.188 1.00 0.00 C ATOM 455 C SER A 30 1.216 -8.012 3.108 1.00 0.00 C ATOM 456 O SER A 30 0.592 -7.335 2.285 1.00 0.00 O ATOM 457 CB SER A 30 3.174 -7.096 4.386 1.00 0.00 C ATOM 458 OG SER A 30 4.591 -7.058 4.493 1.00 0.00 O ATOM 0 H SER A 30 2.819 -6.573 1.605 1.00 0.00 H new ATOM 0 HA SER A 30 3.113 -8.959 3.315 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.786 -6.083 4.280 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.747 -7.507 5.301 1.00 0.00 H new ATOM 0 HG SER A 30 4.933 -6.267 4.027 1.00 0.00 H new ATOM 464 N GLY A 31 0.624 -8.839 3.960 1.00 0.00 N ATOM 465 CA GLY A 31 -0.818 -8.994 3.978 1.00 0.00 C ATOM 466 C GLY A 31 -1.333 -9.747 2.768 1.00 0.00 C ATOM 467 O GLY A 31 -0.609 -10.543 2.165 1.00 0.00 O ATOM 0 H GLY A 31 1.121 -9.409 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.113 -9.523 4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.286 -8.010 4.017 1.00 0.00 H new ATOM 471 N VAL A 32 -2.577 -9.478 2.400 1.00 0.00 N ATOM 472 CA VAL A 32 -3.208 -10.132 1.254 1.00 0.00 C ATOM 473 C VAL A 32 -2.520 -9.733 -0.051 1.00 0.00 C ATOM 474 O VAL A 32 -2.673 -10.394 -1.079 1.00 0.00 O ATOM 475 CB VAL A 32 -4.707 -9.777 1.168 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.393 -10.573 0.069 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.388 -10.019 2.502 1.00 0.00 C ATOM 0 H VAL A 32 -3.176 -8.807 2.880 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.105 -11.207 1.399 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.790 -8.718 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.449 -10.304 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.925 -10.348 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.298 -11.639 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.445 -9.763 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.288 -11.069 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.921 -9.399 3.267 1.00 0.00 H new ATOM 487 N ALA A 33 -1.733 -8.670 0.003 1.00 0.00 N ATOM 488 CA ALA A 33 -1.038 -8.169 -1.175 1.00 0.00 C ATOM 489 C ALA A 33 -0.022 -9.183 -1.693 1.00 0.00 C ATOM 490 O ALA A 33 0.497 -9.041 -2.795 1.00 0.00 O ATOM 491 CB ALA A 33 -0.355 -6.848 -0.864 1.00 0.00 C ATOM 0 H ALA A 33 -1.558 -8.135 0.853 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.779 -8.008 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.160 -6.486 -1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.101 -6.117 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.367 -6.992 -0.060 1.00 0.00 H new ATOM 497 N LYS A 34 0.259 -10.207 -0.890 1.00 0.00 N ATOM 498 CA LYS A 34 1.199 -11.245 -1.278 1.00 0.00 C ATOM 499 C LYS A 34 0.572 -12.215 -2.275 1.00 0.00 C ATOM 500 O LYS A 34 1.253 -12.722 -3.170 1.00 0.00 O ATOM 501 CB LYS A 34 1.688 -12.009 -0.048 1.00 0.00 C ATOM 502 CG LYS A 34 2.468 -11.150 0.933 1.00 0.00 C ATOM 503 CD LYS A 34 3.110 -11.986 2.028 1.00 0.00 C ATOM 504 CE LYS A 34 2.075 -12.640 2.928 1.00 0.00 C ATOM 505 NZ LYS A 34 2.713 -13.464 3.987 1.00 0.00 N ATOM 0 H LYS A 34 -0.154 -10.336 0.034 1.00 0.00 H new ATOM 0 HA LYS A 34 2.048 -10.760 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.829 -12.442 0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.317 -12.838 -0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.240 -10.597 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.801 -10.414 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.735 -12.756 1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.765 -11.355 2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.455 -11.871 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.414 -13.266 2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.977 -13.895 4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.285 -14.213 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.324 -12.862 4.574 1.00 0.00 H new ATOM 519 N VAL A 35 -0.723 -12.473 -2.129 1.00 0.00 N ATOM 520 CA VAL A 35 -1.411 -13.404 -3.016 1.00 0.00 C ATOM 521 C VAL A 35 -2.043 -12.665 -4.189 1.00 0.00 C ATOM 522 O VAL A 35 -2.377 -13.263 -5.210 1.00 0.00 O ATOM 523 CB VAL A 35 -2.486 -14.234 -2.276 1.00 0.00 C ATOM 524 CG1 VAL A 35 -1.849 -15.065 -1.172 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.582 -13.343 -1.710 1.00 0.00 C ATOM 0 H VAL A 35 -1.314 -12.054 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.657 -14.097 -3.390 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.946 -14.907 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.619 -15.643 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.114 -15.743 -1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.357 -14.405 -0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.321 -13.957 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.147 -12.634 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.064 -12.798 -2.522 1.00 0.00 H new ATOM 535 N ILE A 36 -2.216 -11.360 -4.032 1.00 0.00 N ATOM 536 CA ILE A 36 -2.688 -10.515 -5.113 1.00 0.00 C ATOM 537 C ILE A 36 -1.544 -10.224 -6.081 1.00 0.00 C ATOM 538 O ILE A 36 -0.425 -9.937 -5.656 1.00 0.00 O ATOM 539 CB ILE A 36 -3.267 -9.188 -4.567 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.528 -9.460 -3.743 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.574 -8.219 -5.703 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.997 -8.263 -2.948 1.00 0.00 C ATOM 0 H ILE A 36 -2.034 -10.864 -3.160 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.483 -11.044 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.518 -8.728 -3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.328 -9.779 -4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.335 -10.287 -3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.980 -7.294 -5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.658 -8.001 -6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.304 -8.668 -6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.894 -8.527 -2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.214 -7.957 -2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.222 -7.441 -3.627 1.00 0.00 H new ATOM 554 N GLU A 37 -1.821 -10.329 -7.375 1.00 0.00 N ATOM 555 CA GLU A 37 -0.817 -10.060 -8.395 1.00 0.00 C ATOM 556 C GLU A 37 -0.309 -8.625 -8.287 1.00 0.00 C ATOM 557 O GLU A 37 -1.096 -7.681 -8.163 1.00 0.00 O ATOM 558 CB GLU A 37 -1.381 -10.331 -9.795 1.00 0.00 C ATOM 559 CG GLU A 37 -2.698 -9.624 -10.081 1.00 0.00 C ATOM 560 CD GLU A 37 -3.213 -9.911 -11.474 1.00 0.00 C ATOM 561 OE1 GLU A 37 -3.792 -10.994 -11.688 1.00 0.00 O ATOM 562 OE2 GLU A 37 -3.045 -9.055 -12.365 1.00 0.00 O ATOM 0 H GLU A 37 -2.734 -10.599 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 37 0.025 -10.733 -8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.646 -10.021 -10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.523 -11.405 -9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.442 -9.937 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.565 -8.549 -9.960 1.00 0.00 H new ATOM 569 N LYS A 38 1.013 -8.477 -8.341 1.00 0.00 N ATOM 570 CA LYS A 38 1.670 -7.184 -8.159 1.00 0.00 C ATOM 571 C LYS A 38 1.161 -6.156 -9.160 1.00 0.00 C ATOM 572 O LYS A 38 1.012 -4.983 -8.823 1.00 0.00 O ATOM 573 CB LYS A 38 3.190 -7.335 -8.276 1.00 0.00 C ATOM 574 CG LYS A 38 3.882 -7.721 -6.972 1.00 0.00 C ATOM 575 CD LYS A 38 3.283 -8.974 -6.346 1.00 0.00 C ATOM 576 CE LYS A 38 4.008 -9.363 -5.068 1.00 0.00 C ATOM 577 NZ LYS A 38 5.379 -9.875 -5.333 1.00 0.00 N ATOM 0 H LYS A 38 1.658 -9.248 -8.512 1.00 0.00 H new ATOM 0 HA LYS A 38 1.427 -6.825 -7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.412 -8.091 -9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.611 -6.395 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.943 -7.884 -7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.808 -6.894 -6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.228 -8.804 -6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.334 -9.797 -7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.067 -8.498 -4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.432 -10.126 -4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.784 -10.253 -4.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.336 -10.630 -6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.977 -9.100 -5.685 1.00 0.00 H new ATOM 591 N SER A 39 0.899 -6.605 -10.389 1.00 0.00 N ATOM 592 CA SER A 39 0.309 -5.757 -11.425 1.00 0.00 C ATOM 593 C SER A 39 1.241 -4.597 -11.813 1.00 0.00 C ATOM 594 O SER A 39 2.287 -4.389 -11.194 1.00 0.00 O ATOM 595 CB SER A 39 -1.040 -5.214 -10.928 1.00 0.00 C ATOM 596 OG SER A 39 -1.898 -6.270 -10.527 1.00 0.00 O ATOM 0 H SER A 39 1.089 -7.560 -10.692 1.00 0.00 H new ATOM 0 HA SER A 39 0.158 -6.363 -12.319 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.876 -4.536 -10.090 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.516 -4.635 -11.719 1.00 0.00 H new ATOM 0 HG SER A 39 -1.560 -6.670 -9.699 1.00 0.00 H new ATOM 602 N PRO A 40 0.895 -3.832 -12.865 1.00 0.00 N ATOM 603 CA PRO A 40 1.616 -2.607 -13.215 1.00 0.00 C ATOM 604 C PRO A 40 1.171 -1.421 -12.354 1.00 0.00 C ATOM 605 O PRO A 40 1.036 -0.298 -12.842 1.00 0.00 O ATOM 606 CB PRO A 40 1.227 -2.389 -14.678 1.00 0.00 C ATOM 607 CG PRO A 40 -0.141 -2.967 -14.790 1.00 0.00 C ATOM 608 CD PRO A 40 -0.193 -4.122 -13.824 1.00 0.00 C ATOM 0 HA PRO A 40 2.691 -2.690 -13.054 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.233 -1.330 -14.937 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.924 -2.886 -15.352 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.899 -2.222 -14.547 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.339 -3.302 -15.808 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.160 -4.182 -13.325 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.036 -5.074 -14.331 1.00 0.00 H new ATOM 616 N ILE A 41 0.972 -1.683 -11.064 1.00 0.00 N ATOM 617 CA ILE A 41 0.488 -0.677 -10.123 1.00 0.00 C ATOM 618 C ILE A 41 1.436 0.517 -10.050 1.00 0.00 C ATOM 619 O ILE A 41 1.000 1.644 -9.838 1.00 0.00 O ATOM 620 CB ILE A 41 0.296 -1.278 -8.710 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.767 -2.379 -8.751 1.00 0.00 C ATOM 622 CG2 ILE A 41 -0.095 -0.203 -7.704 1.00 0.00 C ATOM 623 CD1 ILE A 41 -1.048 -3.012 -7.404 1.00 0.00 C ATOM 0 H ILE A 41 1.141 -2.596 -10.643 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.478 -0.333 -10.492 1.00 0.00 H new ATOM 0 HB ILE A 41 1.245 -1.708 -8.389 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.693 -1.961 -9.145 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.446 -3.155 -9.446 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.223 -0.655 -6.720 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.688 0.553 -7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.031 0.262 -8.014 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.811 -3.782 -7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.134 -3.461 -7.015 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.401 -2.249 -6.710 1.00 0.00 H new ATOM 635 N ALA A 42 2.724 0.267 -10.258 1.00 0.00 N ATOM 636 CA ALA A 42 3.735 1.323 -10.244 1.00 0.00 C ATOM 637 C ALA A 42 3.372 2.442 -11.216 1.00 0.00 C ATOM 638 O ALA A 42 3.622 3.622 -10.955 1.00 0.00 O ATOM 639 CB ALA A 42 5.102 0.749 -10.585 1.00 0.00 C ATOM 0 H ALA A 42 3.097 -0.665 -10.440 1.00 0.00 H new ATOM 0 HA ALA A 42 3.771 1.745 -9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.845 1.546 -10.571 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.371 -0.011 -9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.071 0.300 -11.578 1.00 0.00 H new ATOM 645 N GLU A 43 2.750 2.060 -12.325 1.00 0.00 N ATOM 646 CA GLU A 43 2.309 3.013 -13.335 1.00 0.00 C ATOM 647 C GLU A 43 1.175 3.874 -12.783 1.00 0.00 C ATOM 648 O GLU A 43 1.101 5.081 -13.030 1.00 0.00 O ATOM 649 CB GLU A 43 1.838 2.261 -14.585 1.00 0.00 C ATOM 650 CG GLU A 43 1.485 3.166 -15.756 1.00 0.00 C ATOM 651 CD GLU A 43 2.697 3.863 -16.341 1.00 0.00 C ATOM 652 OE1 GLU A 43 3.246 4.763 -15.679 1.00 0.00 O ATOM 653 OE2 GLU A 43 3.098 3.516 -17.472 1.00 0.00 O ATOM 0 H GLU A 43 2.538 1.087 -12.548 1.00 0.00 H new ATOM 0 HA GLU A 43 3.143 3.662 -13.602 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.621 1.569 -14.897 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.966 1.660 -14.328 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.000 2.575 -16.533 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.764 3.914 -15.427 1.00 0.00 H new ATOM 660 N ILE A 44 0.305 3.251 -12.007 1.00 0.00 N ATOM 661 CA ILE A 44 -0.833 3.947 -11.435 1.00 0.00 C ATOM 662 C ILE A 44 -0.391 4.763 -10.220 1.00 0.00 C ATOM 663 O ILE A 44 -0.988 5.790 -9.900 1.00 0.00 O ATOM 664 CB ILE A 44 -1.955 2.970 -11.026 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.176 1.906 -12.110 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.250 3.731 -10.772 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.586 2.473 -13.455 1.00 0.00 C ATOM 0 H ILE A 44 0.366 2.264 -11.759 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.231 4.613 -12.201 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.650 2.468 -10.108 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.258 1.332 -12.234 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.944 1.210 -11.771 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.034 3.030 -10.484 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.096 4.453 -9.970 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.548 4.255 -11.680 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.723 1.659 -14.167 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.521 3.023 -13.348 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.809 3.146 -13.818 1.00 0.00 H new ATOM 679 N ILE A 45 0.672 4.308 -9.557 1.00 0.00 N ATOM 680 CA ILE A 45 1.205 5.000 -8.394 1.00 0.00 C ATOM 681 C ILE A 45 1.691 6.389 -8.775 1.00 0.00 C ATOM 682 O ILE A 45 1.357 7.370 -8.111 1.00 0.00 O ATOM 683 CB ILE A 45 2.356 4.212 -7.720 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.825 2.911 -7.122 1.00 0.00 C ATOM 685 CG2 ILE A 45 3.029 5.058 -6.645 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.892 2.068 -6.462 1.00 0.00 C ATOM 0 H ILE A 45 1.179 3.460 -9.810 1.00 0.00 H new ATOM 0 HA ILE A 45 0.391 5.083 -7.674 1.00 0.00 H new ATOM 0 HB ILE A 45 3.100 3.969 -8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.054 3.146 -6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.348 2.327 -7.909 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.834 4.487 -6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.438 5.962 -7.096 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.297 5.331 -5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.442 1.160 -6.060 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.652 1.802 -7.197 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.353 2.633 -5.652 1.00 0.00 H new ATOM 698 N ARG A 46 2.467 6.468 -9.853 1.00 0.00 N ATOM 699 CA ARG A 46 2.970 7.745 -10.340 1.00 0.00 C ATOM 700 C ARG A 46 1.833 8.631 -10.833 1.00 0.00 C ATOM 701 O ARG A 46 1.842 9.838 -10.599 1.00 0.00 O ATOM 702 CB ARG A 46 4.009 7.530 -11.440 1.00 0.00 C ATOM 703 CG ARG A 46 3.576 6.580 -12.538 1.00 0.00 C ATOM 704 CD ARG A 46 4.725 6.237 -13.470 1.00 0.00 C ATOM 705 NE ARG A 46 5.266 7.417 -14.143 1.00 0.00 N ATOM 706 CZ ARG A 46 5.544 7.469 -15.444 1.00 0.00 C ATOM 707 NH1 ARG A 46 5.221 6.459 -16.240 1.00 0.00 N ATOM 708 NH2 ARG A 46 6.108 8.555 -15.953 1.00 0.00 N ATOM 0 H ARG A 46 2.760 5.661 -10.404 1.00 0.00 H new ATOM 0 HA ARG A 46 3.453 8.257 -9.508 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.251 8.494 -11.886 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.925 7.149 -10.988 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.182 5.666 -12.094 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.765 7.031 -13.110 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.518 5.750 -12.902 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.382 5.521 -14.217 1.00 0.00 H new ATOM 0 HE ARG A 46 5.441 8.251 -13.582 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.757 5.636 -15.857 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.437 6.505 -17.236 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.327 9.347 -15.349 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.323 8.599 -16.949 1.00 0.00 H new ATOM 722 N LYS A 47 0.845 8.031 -11.493 1.00 0.00 N ATOM 723 CA LYS A 47 -0.337 8.776 -11.913 1.00 0.00 C ATOM 724 C LYS A 47 -1.042 9.366 -10.697 1.00 0.00 C ATOM 725 O LYS A 47 -1.295 10.567 -10.632 1.00 0.00 O ATOM 726 CB LYS A 47 -1.309 7.886 -12.692 1.00 0.00 C ATOM 727 CG LYS A 47 -0.769 7.406 -14.027 1.00 0.00 C ATOM 728 CD LYS A 47 -1.841 6.697 -14.837 1.00 0.00 C ATOM 729 CE LYS A 47 -1.297 6.202 -16.166 1.00 0.00 C ATOM 730 NZ LYS A 47 -2.376 5.679 -17.045 1.00 0.00 N ATOM 0 H LYS A 47 0.839 7.043 -11.746 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.009 9.581 -12.571 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.562 7.020 -12.081 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.234 8.437 -12.862 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.386 8.255 -14.593 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.070 6.730 -13.860 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.233 5.855 -14.266 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.674 7.377 -15.014 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.779 7.016 -16.672 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.561 5.418 -15.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.965 5.351 -17.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.854 4.885 -16.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.065 6.434 -17.236 1.00 0.00 H new ATOM 744 N SER A 48 -1.311 8.515 -9.713 1.00 0.00 N ATOM 745 CA SER A 48 -1.997 8.931 -8.501 1.00 0.00 C ATOM 746 C SER A 48 -1.149 9.925 -7.715 1.00 0.00 C ATOM 747 O SER A 48 -1.672 10.766 -6.995 1.00 0.00 O ATOM 748 CB SER A 48 -2.295 7.719 -7.626 1.00 0.00 C ATOM 749 OG SER A 48 -2.982 6.718 -8.351 1.00 0.00 O ATOM 0 H SER A 48 -1.061 7.526 -9.734 1.00 0.00 H new ATOM 0 HA SER A 48 -2.932 9.413 -8.788 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.362 7.312 -7.235 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.894 8.025 -6.768 1.00 0.00 H new ATOM 0 HG SER A 48 -2.372 6.305 -8.997 1.00 0.00 H new ATOM 755 N ASN A 49 0.167 9.814 -7.853 1.00 0.00 N ATOM 756 CA ASN A 49 1.089 10.693 -7.146 1.00 0.00 C ATOM 757 C ASN A 49 0.944 12.122 -7.643 1.00 0.00 C ATOM 758 O ASN A 49 0.999 13.070 -6.866 1.00 0.00 O ATOM 759 CB ASN A 49 2.535 10.211 -7.321 1.00 0.00 C ATOM 760 CG ASN A 49 3.556 11.159 -6.714 1.00 0.00 C ATOM 761 OD1 ASN A 49 3.800 11.134 -5.511 1.00 0.00 O ATOM 762 ND2 ASN A 49 4.186 11.970 -7.547 1.00 0.00 N ATOM 0 H ASN A 49 0.620 9.122 -8.450 1.00 0.00 H new ATOM 0 HA ASN A 49 0.843 10.667 -6.084 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.642 9.228 -6.862 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.746 10.091 -8.384 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.903 12.605 -7.196 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.955 11.961 -8.540 1.00 0.00 H new ATOM 769 N ALA A 50 0.738 12.266 -8.941 1.00 0.00 N ATOM 770 CA ALA A 50 0.532 13.573 -9.536 1.00 0.00 C ATOM 771 C ALA A 50 -0.863 14.093 -9.206 1.00 0.00 C ATOM 772 O ALA A 50 -1.084 15.298 -9.101 1.00 0.00 O ATOM 773 CB ALA A 50 0.739 13.506 -11.040 1.00 0.00 C ATOM 0 H ALA A 50 0.709 11.491 -9.603 1.00 0.00 H new ATOM 0 HA ALA A 50 1.263 14.266 -9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.581 14.494 -11.473 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.755 13.174 -11.253 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.029 12.802 -11.474 1.00 0.00 H new ATOM 779 N GLU A 51 -1.798 13.167 -9.031 1.00 0.00 N ATOM 780 CA GLU A 51 -3.179 13.513 -8.716 1.00 0.00 C ATOM 781 C GLU A 51 -3.329 13.997 -7.274 1.00 0.00 C ATOM 782 O GLU A 51 -3.819 15.098 -7.025 1.00 0.00 O ATOM 783 CB GLU A 51 -4.093 12.305 -8.934 1.00 0.00 C ATOM 784 CG GLU A 51 -4.124 11.797 -10.364 1.00 0.00 C ATOM 785 CD GLU A 51 -4.628 12.834 -11.343 1.00 0.00 C ATOM 786 OE1 GLU A 51 -5.833 13.153 -11.309 1.00 0.00 O ATOM 787 OE2 GLU A 51 -3.827 13.331 -12.156 1.00 0.00 O ATOM 0 H GLU A 51 -1.623 12.165 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.467 14.324 -9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.769 11.496 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.106 12.571 -8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.121 11.485 -10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.760 10.914 -10.417 1.00 0.00 H new ATOM 794 N LEU A 52 -2.896 13.175 -6.328 1.00 0.00 N ATOM 795 CA LEU A 52 -3.175 13.421 -4.920 1.00 0.00 C ATOM 796 C LEU A 52 -1.908 13.556 -4.085 1.00 0.00 C ATOM 797 O LEU A 52 -0.799 13.619 -4.612 1.00 0.00 O ATOM 798 CB LEU A 52 -4.051 12.289 -4.362 1.00 0.00 C ATOM 799 CG LEU A 52 -3.558 10.857 -4.631 1.00 0.00 C ATOM 800 CD1 LEU A 52 -2.275 10.540 -3.881 1.00 0.00 C ATOM 801 CD2 LEU A 52 -4.629 9.865 -4.255 1.00 0.00 C ATOM 0 H LEU A 52 -2.350 12.333 -6.510 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.703 14.373 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.141 12.424 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.052 12.392 -4.781 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.341 10.782 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.967 9.518 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.492 11.231 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.445 10.643 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.272 8.853 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.866 9.970 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.524 10.054 -4.848 1.00 0.00 H new ATOM 813 N GLY A 53 -2.102 13.587 -2.773 1.00 0.00 N ATOM 814 CA GLY A 53 -0.992 13.592 -1.846 1.00 0.00 C ATOM 815 C GLY A 53 -1.243 12.681 -0.657 1.00 0.00 C ATOM 816 O GLY A 53 -0.660 11.603 -0.557 1.00 0.00 O ATOM 0 H GLY A 53 -3.021 13.609 -2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.086 13.274 -2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.818 14.609 -1.494 1.00 0.00 H new ATOM 820 N ARG A 54 -2.150 13.095 0.223 1.00 0.00 N ATOM 821 CA ARG A 54 -2.388 12.382 1.479 1.00 0.00 C ATOM 822 C ARG A 54 -3.475 11.313 1.338 1.00 0.00 C ATOM 823 O ARG A 54 -3.615 10.442 2.196 1.00 0.00 O ATOM 824 CB ARG A 54 -2.784 13.380 2.569 1.00 0.00 C ATOM 825 CG ARG A 54 -2.691 12.817 3.978 1.00 0.00 C ATOM 826 CD ARG A 54 -1.260 12.450 4.322 1.00 0.00 C ATOM 827 NE ARG A 54 -1.114 12.005 5.705 1.00 0.00 N ATOM 828 CZ ARG A 54 -0.035 12.252 6.447 1.00 0.00 C ATOM 829 NH1 ARG A 54 0.934 13.026 5.977 1.00 0.00 N ATOM 830 NH2 ARG A 54 0.057 11.753 7.670 1.00 0.00 N ATOM 0 H ARG A 54 -2.734 13.921 0.091 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.462 11.875 1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.142 14.258 2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.805 13.715 2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.064 13.551 4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.327 11.936 4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.920 11.661 3.652 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.616 13.313 4.151 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.879 11.477 6.126 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.854 13.434 5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.759 13.213 6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.698 11.179 8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.883 11.942 8.237 1.00 0.00 H new ATOM 844 N LEU A 55 -4.249 11.381 0.263 1.00 0.00 N ATOM 845 CA LEU A 55 -5.355 10.446 0.069 1.00 0.00 C ATOM 846 C LEU A 55 -4.881 9.197 -0.662 1.00 0.00 C ATOM 847 O LEU A 55 -3.812 9.196 -1.276 1.00 0.00 O ATOM 848 CB LEU A 55 -6.514 11.087 -0.713 1.00 0.00 C ATOM 849 CG LEU A 55 -7.196 12.303 -0.063 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.536 12.022 1.392 1.00 0.00 C ATOM 851 CD2 LEU A 55 -6.338 13.557 -0.188 1.00 0.00 C ATOM 0 H LEU A 55 -4.135 12.067 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.719 10.172 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.139 11.389 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.272 10.323 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.126 12.485 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.017 12.897 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.213 11.169 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.622 11.798 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.850 14.397 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.380 13.393 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.169 13.779 -1.242 1.00 0.00 H new ATOM 863 N GLY A 56 -5.676 8.139 -0.590 1.00 0.00 N ATOM 864 CA GLY A 56 -5.337 6.904 -1.261 1.00 0.00 C ATOM 865 C GLY A 56 -6.239 6.615 -2.442 1.00 0.00 C ATOM 866 O GLY A 56 -7.368 6.140 -2.276 1.00 0.00 O ATOM 0 H GLY A 56 -6.556 8.116 -0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.303 6.952 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.400 6.080 -0.550 1.00 0.00 H new ATOM 870 N TYR A 57 -5.736 6.904 -3.632 1.00 0.00 N ATOM 871 CA TYR A 57 -6.463 6.647 -4.871 1.00 0.00 C ATOM 872 C TYR A 57 -6.576 5.151 -5.097 1.00 0.00 C ATOM 873 O TYR A 57 -5.595 4.421 -4.939 1.00 0.00 O ATOM 874 CB TYR A 57 -5.731 7.305 -6.047 1.00 0.00 C ATOM 875 CG TYR A 57 -6.417 7.172 -7.393 1.00 0.00 C ATOM 876 CD1 TYR A 57 -7.436 8.040 -7.765 1.00 0.00 C ATOM 877 CD2 TYR A 57 -6.027 6.192 -8.297 1.00 0.00 C ATOM 878 CE1 TYR A 57 -8.048 7.932 -9.001 1.00 0.00 C ATOM 879 CE2 TYR A 57 -6.632 6.080 -9.532 1.00 0.00 C ATOM 880 CZ TYR A 57 -7.642 6.950 -9.882 1.00 0.00 C ATOM 881 OH TYR A 57 -8.246 6.839 -11.116 1.00 0.00 O ATOM 0 H TYR A 57 -4.816 7.322 -3.769 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.465 7.070 -4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.602 8.365 -5.826 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.734 6.871 -6.121 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.755 8.811 -7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.237 5.506 -8.029 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.840 8.613 -9.275 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.315 5.313 -10.223 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.055 7.392 -11.135 1.00 0.00 H new ATOM 891 N SER A 58 -7.768 4.691 -5.433 1.00 0.00 N ATOM 892 CA SER A 58 -7.974 3.285 -5.719 1.00 0.00 C ATOM 893 C SER A 58 -7.287 2.919 -7.029 1.00 0.00 C ATOM 894 O SER A 58 -7.730 3.310 -8.107 1.00 0.00 O ATOM 895 CB SER A 58 -9.471 2.990 -5.790 1.00 0.00 C ATOM 896 OG SER A 58 -10.135 3.500 -4.640 1.00 0.00 O ATOM 0 H SER A 58 -8.604 5.269 -5.514 1.00 0.00 H new ATOM 0 HA SER A 58 -7.539 2.682 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.893 3.438 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.633 1.915 -5.863 1.00 0.00 H new ATOM 0 HG SER A 58 -11.093 3.304 -4.702 1.00 0.00 H new ATOM 902 N VAL A 59 -6.197 2.172 -6.924 1.00 0.00 N ATOM 903 CA VAL A 59 -5.394 1.829 -8.087 1.00 0.00 C ATOM 904 C VAL A 59 -5.724 0.429 -8.595 1.00 0.00 C ATOM 905 O VAL A 59 -5.678 0.162 -9.796 1.00 0.00 O ATOM 906 CB VAL A 59 -3.883 1.929 -7.773 1.00 0.00 C ATOM 907 CG1 VAL A 59 -3.526 3.338 -7.326 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.469 0.918 -6.710 1.00 0.00 C ATOM 0 H VAL A 59 -5.849 1.792 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.637 2.549 -8.868 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.337 1.699 -8.688 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.459 3.392 -7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.771 4.044 -8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.092 3.589 -6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.401 1.014 -6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.026 1.106 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.683 -0.090 -7.064 1.00 0.00 H new ATOM 918 N TYR A 60 -6.072 -0.463 -7.679 1.00 0.00 N ATOM 919 CA TYR A 60 -6.370 -1.836 -8.042 1.00 0.00 C ATOM 920 C TYR A 60 -7.655 -2.293 -7.371 1.00 0.00 C ATOM 921 O TYR A 60 -7.664 -2.617 -6.187 1.00 0.00 O ATOM 922 CB TYR A 60 -5.206 -2.750 -7.640 1.00 0.00 C ATOM 923 CG TYR A 60 -5.384 -4.199 -8.045 1.00 0.00 C ATOM 924 CD1 TYR A 60 -5.000 -4.638 -9.306 1.00 0.00 C ATOM 925 CD2 TYR A 60 -5.926 -5.127 -7.165 1.00 0.00 C ATOM 926 CE1 TYR A 60 -5.153 -5.959 -9.681 1.00 0.00 C ATOM 927 CE2 TYR A 60 -6.085 -6.452 -7.532 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.696 -6.862 -8.792 1.00 0.00 C ATOM 929 OH TYR A 60 -5.842 -8.181 -9.165 1.00 0.00 O ATOM 0 H TYR A 60 -6.154 -0.259 -6.683 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.505 -1.892 -9.122 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.288 -2.369 -8.089 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.077 -2.700 -6.559 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.574 -3.934 -10.006 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.228 -4.809 -6.178 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.849 -6.282 -10.665 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.511 -7.161 -6.837 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.238 -8.688 -8.426 1.00 0.00 H new ATOM 939 N GLU A 61 -8.748 -2.282 -8.112 1.00 0.00 N ATOM 940 CA GLU A 61 -10.002 -2.776 -7.581 1.00 0.00 C ATOM 941 C GLU A 61 -10.247 -4.208 -8.034 1.00 0.00 C ATOM 942 O GLU A 61 -10.384 -4.488 -9.227 1.00 0.00 O ATOM 943 CB GLU A 61 -11.174 -1.880 -7.987 1.00 0.00 C ATOM 944 CG GLU A 61 -12.501 -2.333 -7.399 1.00 0.00 C ATOM 945 CD GLU A 61 -13.661 -1.443 -7.792 1.00 0.00 C ATOM 946 OE1 GLU A 61 -14.214 -1.642 -8.892 1.00 0.00 O ATOM 947 OE2 GLU A 61 -14.049 -0.573 -6.985 1.00 0.00 O ATOM 0 H GLU A 61 -8.792 -1.940 -9.072 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.930 -2.759 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.971 -0.858 -7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.252 -1.863 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.707 -3.353 -7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.421 -2.356 -6.312 1.00 0.00 H new ATOM 954 N ASP A 62 -10.278 -5.101 -7.066 1.00 0.00 N ATOM 955 CA ASP A 62 -10.583 -6.500 -7.296 1.00 0.00 C ATOM 956 C ASP A 62 -11.941 -6.780 -6.678 1.00 0.00 C ATOM 957 O ASP A 62 -12.455 -5.949 -5.926 1.00 0.00 O ATOM 958 CB ASP A 62 -9.490 -7.384 -6.669 1.00 0.00 C ATOM 959 CG ASP A 62 -9.800 -8.866 -6.739 1.00 0.00 C ATOM 960 OD1 ASP A 62 -9.608 -9.473 -7.812 1.00 0.00 O ATOM 961 OD2 ASP A 62 -10.251 -9.427 -5.722 1.00 0.00 O ATOM 0 H ASP A 62 -10.091 -4.875 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.611 -6.726 -8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.544 -7.194 -7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.355 -7.097 -5.626 1.00 0.00 H new ATOM 966 N ALA A 63 -12.534 -7.919 -6.989 1.00 0.00 N ATOM 967 CA ALA A 63 -13.849 -8.245 -6.465 1.00 0.00 C ATOM 968 C ALA A 63 -13.798 -8.487 -4.960 1.00 0.00 C ATOM 969 O ALA A 63 -14.809 -8.375 -4.271 1.00 0.00 O ATOM 970 CB ALA A 63 -14.425 -9.454 -7.181 1.00 0.00 C ATOM 0 H ALA A 63 -12.129 -8.630 -7.598 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.503 -7.392 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.410 -9.682 -6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.513 -9.238 -8.246 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.766 -10.310 -7.037 1.00 0.00 H new ATOM 976 N GLN A 64 -12.619 -8.812 -4.457 1.00 0.00 N ATOM 977 CA GLN A 64 -12.442 -9.072 -3.038 1.00 0.00 C ATOM 978 C GLN A 64 -11.847 -7.858 -2.330 1.00 0.00 C ATOM 979 O GLN A 64 -12.326 -7.444 -1.275 1.00 0.00 O ATOM 980 CB GLN A 64 -11.521 -10.272 -2.849 1.00 0.00 C ATOM 981 CG GLN A 64 -11.817 -11.423 -3.790 1.00 0.00 C ATOM 982 CD GLN A 64 -10.631 -12.350 -3.945 1.00 0.00 C ATOM 983 OE1 GLN A 64 -10.509 -13.356 -3.243 1.00 0.00 O ATOM 984 NE2 GLN A 64 -9.725 -11.991 -4.839 1.00 0.00 N ATOM 0 H GLN A 64 -11.768 -8.902 -5.012 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.419 -9.282 -2.603 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.489 -9.953 -2.994 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.605 -10.624 -1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.671 -11.987 -3.415 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.099 -11.029 -4.766 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.866 -11.150 -5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.885 -12.555 -4.969 1.00 0.00 H new ATOM 993 N TYR A 65 -10.806 -7.276 -2.923 1.00 0.00 N ATOM 994 CA TYR A 65 -10.041 -6.222 -2.257 1.00 0.00 C ATOM 995 C TYR A 65 -9.830 -5.023 -3.177 1.00 0.00 C ATOM 996 O TYR A 65 -10.001 -5.119 -4.387 1.00 0.00 O ATOM 997 CB TYR A 65 -8.681 -6.766 -1.803 1.00 0.00 C ATOM 998 CG TYR A 65 -8.769 -8.106 -1.109 1.00 0.00 C ATOM 999 CD1 TYR A 65 -9.122 -8.198 0.231 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.519 -9.281 -1.804 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -9.219 -9.426 0.859 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -8.617 -10.511 -1.186 1.00 0.00 C ATOM 1003 CZ TYR A 65 -8.969 -10.579 0.144 1.00 0.00 C ATOM 1004 OH TYR A 65 -9.066 -11.805 0.762 1.00 0.00 O ATOM 0 H TYR A 65 -10.474 -7.514 -3.858 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.613 -5.892 -1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.027 -6.857 -2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.217 -6.046 -1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.324 -7.297 0.791 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.243 -9.232 -2.847 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.489 -9.482 1.903 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.419 -11.415 -1.742 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.859 -12.514 0.117 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.465 -3.892 -2.588 1.00 0.00 N ATOM 1015 CA ILE A 66 -9.177 -2.682 -3.342 1.00 0.00 C ATOM 1016 C ILE A 66 -7.886 -2.048 -2.844 1.00 0.00 C ATOM 1017 O ILE A 66 -7.756 -1.739 -1.655 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.313 -1.644 -3.223 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.634 -2.231 -3.718 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.964 -0.387 -4.009 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.814 -1.293 -3.567 1.00 0.00 C ATOM 0 H ILE A 66 -9.361 -3.789 -1.579 1.00 0.00 H new ATOM 0 HA ILE A 66 -9.080 -2.973 -4.388 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.428 -1.379 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.529 -2.502 -4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.840 -3.151 -3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.774 0.337 -3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.044 0.045 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.824 -0.642 -5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.715 -1.779 -3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.946 -1.041 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.631 -0.383 -4.138 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.949 -1.859 -3.752 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.676 -1.257 -3.414 1.00 0.00 C ATOM 1035 C GLY A 67 -5.694 0.246 -3.599 1.00 0.00 C ATOM 1036 O GLY A 67 -6.289 0.750 -4.551 1.00 0.00 O ATOM 0 H GLY A 67 -7.047 -2.115 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.427 -1.492 -2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.893 -1.690 -4.037 1.00 0.00 H new ATOM 1040 N HIS A 68 -5.049 0.963 -2.691 1.00 0.00 N ATOM 1041 CA HIS A 68 -5.014 2.423 -2.740 1.00 0.00 C ATOM 1042 C HIS A 68 -3.574 2.915 -2.651 1.00 0.00 C ATOM 1043 O HIS A 68 -2.830 2.487 -1.771 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.819 3.033 -1.582 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.211 2.503 -1.438 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.311 3.076 -2.040 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.682 1.443 -0.735 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.395 2.395 -1.714 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -9.040 1.399 -0.923 1.00 0.00 N ATOM 0 H HIS A 68 -4.539 0.558 -1.906 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.458 2.735 -3.685 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.280 2.857 -0.651 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.869 4.113 -1.722 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.291 3.898 -2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.096 0.760 -0.138 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.401 2.615 -2.039 1.00 0.00 H new ATOM 1058 N ALA A 69 -3.180 3.804 -3.556 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.823 4.348 -3.536 1.00 0.00 C ATOM 1060 C ALA A 69 -1.711 5.526 -2.581 1.00 0.00 C ATOM 1061 O ALA A 69 -2.406 6.531 -2.738 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.393 4.786 -4.925 1.00 0.00 C ATOM 0 H ALA A 69 -3.772 4.162 -4.306 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.164 3.551 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.380 5.187 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.417 3.930 -5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.073 5.556 -5.291 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.799 5.417 -1.629 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.561 6.482 -0.671 1.00 0.00 C ATOM 1070 C PHE A 70 0.845 7.032 -0.811 1.00 0.00 C ATOM 1071 O PHE A 70 1.799 6.284 -1.035 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.775 5.984 0.754 1.00 0.00 C ATOM 1073 CG PHE A 70 -2.216 5.821 1.113 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -2.882 4.635 0.854 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -2.908 6.860 1.707 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -4.211 4.490 1.186 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -4.237 6.721 2.039 1.00 0.00 C ATOM 1078 CZ PHE A 70 -4.889 5.535 1.779 1.00 0.00 C ATOM 0 H PHE A 70 -0.208 4.596 -1.499 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.274 7.280 -0.880 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.267 5.028 0.877 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.311 6.684 1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.355 3.816 0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.401 7.791 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.721 3.560 0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.767 7.540 2.502 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.931 5.424 2.040 1.00 0.00 H new ATOM 1088 N LYS A 71 0.960 8.344 -0.713 1.00 0.00 N ATOM 1089 CA LYS A 71 2.261 8.989 -0.692 1.00 0.00 C ATOM 1090 C LYS A 71 2.824 8.989 0.717 1.00 0.00 C ATOM 1091 O LYS A 71 2.247 9.577 1.632 1.00 0.00 O ATOM 1092 CB LYS A 71 2.183 10.419 -1.224 1.00 0.00 C ATOM 1093 CG LYS A 71 2.415 10.548 -2.723 1.00 0.00 C ATOM 1094 CD LYS A 71 1.202 10.129 -3.545 1.00 0.00 C ATOM 1095 CE LYS A 71 1.200 8.638 -3.835 1.00 0.00 C ATOM 1096 NZ LYS A 71 -0.028 8.218 -4.561 1.00 0.00 N ATOM 0 H LYS A 71 0.169 8.984 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 71 2.925 8.422 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.202 10.829 -0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.920 11.029 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.669 11.581 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.271 9.936 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.291 10.396 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.192 10.681 -4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.078 8.382 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.275 8.085 -2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.193 7.412 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.758 7.938 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.379 9.010 -5.136 1.00 0.00 H new ATOM 1110 N LYS A 72 3.953 8.327 0.882 1.00 0.00 N ATOM 1111 CA LYS A 72 4.592 8.201 2.181 1.00 0.00 C ATOM 1112 C LYS A 72 5.857 9.046 2.199 1.00 0.00 C ATOM 1113 O LYS A 72 6.223 9.632 1.181 1.00 0.00 O ATOM 1114 CB LYS A 72 4.941 6.738 2.461 1.00 0.00 C ATOM 1115 CG LYS A 72 3.770 5.779 2.292 1.00 0.00 C ATOM 1116 CD LYS A 72 2.753 5.896 3.418 1.00 0.00 C ATOM 1117 CE LYS A 72 3.343 5.468 4.753 1.00 0.00 C ATOM 1118 NZ LYS A 72 2.305 5.344 5.809 1.00 0.00 N ATOM 0 H LYS A 72 4.453 7.863 0.124 1.00 0.00 H new ATOM 0 HA LYS A 72 3.907 8.548 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.747 6.433 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.322 6.654 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.277 5.977 1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.145 4.756 2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.404 6.926 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.884 5.279 3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.854 4.513 4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.094 6.194 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.755 5.388 6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.621 6.122 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.811 4.435 5.705 1.00 0.00 H new ATOM 1132 N ALA A 73 6.522 9.100 3.344 1.00 0.00 N ATOM 1133 CA ALA A 73 7.758 9.859 3.475 1.00 0.00 C ATOM 1134 C ALA A 73 8.843 9.305 2.557 1.00 0.00 C ATOM 1135 O ALA A 73 9.511 8.326 2.888 1.00 0.00 O ATOM 1136 CB ALA A 73 8.236 9.854 4.919 1.00 0.00 C ATOM 0 H ALA A 73 6.226 8.626 4.197 1.00 0.00 H new ATOM 0 HA ALA A 73 7.553 10.887 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.161 10.426 4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.475 10.305 5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.416 8.828 5.239 1.00 0.00 H new ATOM 1142 N GLY A 74 8.981 9.913 1.384 1.00 0.00 N ATOM 1143 CA GLY A 74 10.001 9.505 0.439 1.00 0.00 C ATOM 1144 C GLY A 74 9.734 8.148 -0.185 1.00 0.00 C ATOM 1145 O GLY A 74 10.602 7.587 -0.851 1.00 0.00 O ATOM 0 H GLY A 74 8.398 10.689 1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.074 10.252 -0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.966 9.481 0.945 1.00 0.00 H new ATOM 1149 N HIS A 75 8.537 7.619 0.021 1.00 0.00 N ATOM 1150 CA HIS A 75 8.190 6.296 -0.478 1.00 0.00 C ATOM 1151 C HIS A 75 6.721 6.229 -0.854 1.00 0.00 C ATOM 1152 O HIS A 75 5.967 7.171 -0.616 1.00 0.00 O ATOM 1153 CB HIS A 75 8.521 5.221 0.566 1.00 0.00 C ATOM 1154 CG HIS A 75 9.950 4.764 0.525 1.00 0.00 C ATOM 1155 ND1 HIS A 75 10.678 4.435 1.647 1.00 0.00 N ATOM 1156 CD2 HIS A 75 10.779 4.568 -0.526 1.00 0.00 C ATOM 1157 CE1 HIS A 75 11.892 4.060 1.286 1.00 0.00 C ATOM 1158 NE2 HIS A 75 11.977 4.132 -0.027 1.00 0.00 N ATOM 0 H HIS A 75 7.788 8.087 0.531 1.00 0.00 H new ATOM 0 HA HIS A 75 8.783 6.107 -1.373 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.301 5.612 1.560 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.869 4.362 0.410 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.540 4.726 -1.567 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.681 3.747 1.954 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.801 3.901 -0.581 1.00 0.00 H new ATOM 1167 N PHE A 76 6.323 5.121 -1.455 1.00 0.00 N ATOM 1168 CA PHE A 76 4.944 4.921 -1.866 1.00 0.00 C ATOM 1169 C PHE A 76 4.448 3.592 -1.334 1.00 0.00 C ATOM 1170 O PHE A 76 5.150 2.599 -1.419 1.00 0.00 O ATOM 1171 CB PHE A 76 4.837 4.926 -3.392 1.00 0.00 C ATOM 1172 CG PHE A 76 5.283 6.209 -4.032 1.00 0.00 C ATOM 1173 CD1 PHE A 76 4.546 7.369 -3.869 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.437 6.253 -4.795 1.00 0.00 C ATOM 1175 CE1 PHE A 76 4.952 8.549 -4.459 1.00 0.00 C ATOM 1176 CE2 PHE A 76 6.847 7.432 -5.387 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.104 8.580 -5.219 1.00 0.00 C ATOM 0 H PHE A 76 6.942 4.339 -1.671 1.00 0.00 H new ATOM 0 HA PHE A 76 4.336 5.732 -1.466 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.435 4.106 -3.790 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.802 4.732 -3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.645 7.351 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.023 5.356 -4.929 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.368 9.448 -4.326 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.749 7.454 -5.981 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.422 9.503 -5.681 1.00 0.00 H new ATOM 1187 N ILE A 77 3.259 3.563 -0.765 1.00 0.00 N ATOM 1188 CA ILE A 77 2.705 2.309 -0.286 1.00 0.00 C ATOM 1189 C ILE A 77 1.267 2.146 -0.750 1.00 0.00 C ATOM 1190 O ILE A 77 0.470 3.085 -0.690 1.00 0.00 O ATOM 1191 CB ILE A 77 2.783 2.191 1.253 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.239 2.288 1.724 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.166 0.878 1.722 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.412 2.147 3.222 1.00 0.00 C ATOM 0 H ILE A 77 2.664 4.379 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 77 3.311 1.508 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 77 2.218 3.015 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.823 1.514 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.649 3.248 1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.230 0.813 2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.120 0.838 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.706 0.043 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.469 2.227 3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.857 2.937 3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.035 1.176 3.542 1.00 0.00 H new ATOM 1206 N VAL A 78 0.955 0.960 -1.240 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.387 0.643 -1.690 1.00 0.00 C ATOM 1208 C VAL A 78 -1.081 -0.242 -0.665 1.00 0.00 C ATOM 1209 O VAL A 78 -0.702 -1.399 -0.467 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.373 -0.070 -3.059 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.791 -0.358 -3.536 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.375 0.764 -4.087 1.00 0.00 C ATOM 0 H VAL A 78 1.621 0.194 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.931 1.581 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 78 0.146 -1.021 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.755 -0.861 -4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.295 -0.999 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.339 0.579 -3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.375 0.246 -5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.115 1.731 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.403 0.914 -3.756 1.00 0.00 H new ATOM 1222 N TYR A 79 -2.074 0.315 0.004 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.812 -0.408 1.022 1.00 0.00 C ATOM 1224 C TYR A 79 -4.036 -1.080 0.415 1.00 0.00 C ATOM 1225 O TYR A 79 -4.875 -0.424 -0.207 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.230 0.545 2.138 1.00 0.00 C ATOM 1227 CG TYR A 79 -2.072 1.101 2.941 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.305 2.151 2.454 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -1.751 0.580 4.188 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.254 2.669 3.184 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -0.698 1.092 4.926 1.00 0.00 C ATOM 1232 CZ TYR A 79 0.047 2.136 4.418 1.00 0.00 C ATOM 1233 OH TYR A 79 1.090 2.658 5.152 1.00 0.00 O ATOM 0 H TYR A 79 -2.389 1.274 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.167 -1.181 1.440 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.788 1.374 1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.909 0.023 2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.535 2.570 1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.332 -0.238 4.588 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.329 3.488 2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.461 0.676 5.894 1.00 0.00 H new ATOM 0 HH TYR A 79 1.170 2.171 5.999 1.00 0.00 H new ATOM 1243 N PHE A 80 -4.126 -2.388 0.588 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.234 -3.161 0.065 1.00 0.00 C ATOM 1245 C PHE A 80 -6.290 -3.381 1.134 1.00 0.00 C ATOM 1246 O PHE A 80 -6.044 -4.042 2.143 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.744 -4.508 -0.460 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.955 -4.412 -1.733 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.599 -4.135 -1.703 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.573 -4.600 -2.957 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.874 -4.043 -2.874 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.852 -4.510 -4.133 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.501 -4.231 -4.091 1.00 0.00 C ATOM 0 H PHE A 80 -3.434 -2.940 1.094 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.679 -2.599 -0.756 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.127 -4.982 0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.604 -5.158 -0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.104 -3.989 -0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.630 -4.819 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.817 -3.824 -2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.345 -4.658 -5.083 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.935 -4.160 -5.008 1.00 0.00 H new ATOM 1263 N THR A 81 -7.459 -2.821 0.909 1.00 0.00 N ATOM 1264 CA THR A 81 -8.568 -2.965 1.835 1.00 0.00 C ATOM 1265 C THR A 81 -9.555 -3.997 1.303 1.00 0.00 C ATOM 1266 O THR A 81 -9.682 -4.147 0.090 1.00 0.00 O ATOM 1267 CB THR A 81 -9.292 -1.619 2.034 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.744 -1.114 0.764 1.00 0.00 O ATOM 1269 CG2 THR A 81 -8.371 -0.602 2.687 1.00 0.00 C ATOM 0 H THR A 81 -7.670 -2.256 0.086 1.00 0.00 H new ATOM 0 HA THR A 81 -8.172 -3.296 2.795 1.00 0.00 H new ATOM 0 HB THR A 81 -10.148 -1.784 2.688 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.280 -0.275 0.562 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.903 0.340 2.817 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.049 -0.974 3.659 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.499 -0.441 2.053 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.264 -4.721 2.183 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.274 -5.709 1.768 1.00 0.00 C ATOM 1279 C PRO A 82 -12.538 -5.035 1.234 1.00 0.00 C ATOM 1280 O PRO A 82 -13.642 -5.265 1.733 1.00 0.00 O ATOM 1281 CB PRO A 82 -11.571 -6.468 3.064 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.280 -5.491 4.150 1.00 0.00 C ATOM 1283 CD PRO A 82 -10.144 -4.638 3.651 1.00 0.00 C ATOM 0 HA PRO A 82 -10.926 -6.350 0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.608 -6.801 3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.947 -7.357 3.154 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.156 -4.882 4.371 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.007 -6.004 5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.231 -3.610 4.002 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.180 -5.013 3.996 1.00 0.00 H new ATOM 1291 N LYS A 83 -12.356 -4.216 0.199 1.00 0.00 N ATOM 1292 CA LYS A 83 -13.415 -3.370 -0.338 1.00 0.00 C ATOM 1293 C LYS A 83 -14.037 -2.522 0.762 1.00 0.00 C ATOM 1294 O LYS A 83 -15.233 -2.625 1.043 1.00 0.00 O ATOM 1295 CB LYS A 83 -14.496 -4.183 -1.062 1.00 0.00 C ATOM 1296 CG LYS A 83 -14.134 -4.548 -2.493 1.00 0.00 C ATOM 1297 CD LYS A 83 -15.331 -5.113 -3.235 1.00 0.00 C ATOM 1298 CE LYS A 83 -15.075 -5.194 -4.732 1.00 0.00 C ATOM 1299 NZ LYS A 83 -14.864 -3.859 -5.350 1.00 0.00 N ATOM 0 H LYS A 83 -11.466 -4.122 -0.291 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.955 -2.712 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.686 -5.098 -0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.425 -3.612 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.764 -3.665 -3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.326 -5.279 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -15.562 -6.106 -2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.204 -4.488 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.199 -5.817 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.920 -5.684 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.047 -3.917 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.514 -3.171 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.883 -3.554 -5.191 1.00 0.00 H new ATOM 1313 N ASN A 84 -13.212 -1.700 1.397 1.00 0.00 N ATOM 1314 CA ASN A 84 -13.701 -0.775 2.408 1.00 0.00 C ATOM 1315 C ASN A 84 -14.423 0.377 1.735 1.00 0.00 C ATOM 1316 O ASN A 84 -13.799 1.319 1.240 1.00 0.00 O ATOM 1317 CB ASN A 84 -12.560 -0.248 3.281 1.00 0.00 C ATOM 1318 CG ASN A 84 -13.038 0.762 4.312 1.00 0.00 C ATOM 1319 OD1 ASN A 84 -13.466 0.396 5.407 1.00 0.00 O ATOM 1320 ND2 ASN A 84 -12.969 2.042 3.973 1.00 0.00 N ATOM 0 H ASN A 84 -12.207 -1.655 1.231 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.394 -1.310 3.058 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.080 -1.084 3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.804 0.215 2.646 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.276 2.760 4.629 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.609 2.308 3.057 1.00 0.00 H new ATOM 1327 N LYS A 85 -15.736 0.278 1.694 1.00 0.00 N ATOM 1328 CA LYS A 85 -16.555 1.278 1.044 1.00 0.00 C ATOM 1329 C LYS A 85 -16.934 2.375 2.021 1.00 0.00 C ATOM 1330 O LYS A 85 -17.704 2.146 2.953 1.00 0.00 O ATOM 1331 CB LYS A 85 -17.817 0.635 0.471 1.00 0.00 C ATOM 1332 CG LYS A 85 -17.537 -0.403 -0.602 1.00 0.00 C ATOM 1333 CD LYS A 85 -18.814 -1.082 -1.070 1.00 0.00 C ATOM 1334 CE LYS A 85 -19.817 -0.079 -1.619 1.00 0.00 C ATOM 1335 NZ LYS A 85 -21.028 -0.749 -2.155 1.00 0.00 N ATOM 0 H LYS A 85 -16.261 -0.492 2.107 1.00 0.00 H new ATOM 0 HA LYS A 85 -15.978 1.718 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.376 0.166 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -18.454 1.414 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.045 0.073 -1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -16.847 -1.152 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.575 -1.816 -1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -19.262 -1.627 -0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -20.105 0.616 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -19.348 0.510 -2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -21.688 -0.033 -2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -20.756 -1.394 -2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -21.490 -1.291 -1.397 1.00 0.00 H new ATOM 1349 N ASN A 86 -16.368 3.557 1.823 1.00 0.00 N ATOM 1350 CA ASN A 86 -16.754 4.719 2.605 1.00 0.00 C ATOM 1351 C ASN A 86 -18.122 5.191 2.134 1.00 0.00 C ATOM 1352 O ASN A 86 -18.238 5.934 1.159 1.00 0.00 O ATOM 1353 CB ASN A 86 -15.719 5.839 2.464 1.00 0.00 C ATOM 1354 CG ASN A 86 -16.052 7.051 3.314 1.00 0.00 C ATOM 1355 OD1 ASN A 86 -16.749 7.963 2.872 1.00 0.00 O ATOM 1356 ND2 ASN A 86 -15.544 7.076 4.536 1.00 0.00 N ATOM 0 H ASN A 86 -15.642 3.735 1.129 1.00 0.00 H new ATOM 0 HA ASN A 86 -16.802 4.448 3.660 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.737 5.459 2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.655 6.140 1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.726 7.872 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.971 6.300 4.866 1.00 0.00 H new ATOM 1363 N ARG A 87 -19.152 4.715 2.804 1.00 0.00 N ATOM 1364 CA ARG A 87 -20.517 4.932 2.363 1.00 0.00 C ATOM 1365 C ARG A 87 -21.221 5.937 3.262 1.00 0.00 C ATOM 1366 O ARG A 87 -22.142 6.633 2.835 1.00 0.00 O ATOM 1367 CB ARG A 87 -21.266 3.598 2.366 1.00 0.00 C ATOM 1368 CG ARG A 87 -22.563 3.605 1.576 1.00 0.00 C ATOM 1369 CD ARG A 87 -23.218 2.235 1.599 1.00 0.00 C ATOM 1370 NE ARG A 87 -24.315 2.130 0.641 1.00 0.00 N ATOM 1371 CZ ARG A 87 -25.101 1.060 0.520 1.00 0.00 C ATOM 1372 NH1 ARG A 87 -24.906 -0.004 1.290 1.00 0.00 N ATOM 1373 NH2 ARG A 87 -26.074 1.054 -0.383 1.00 0.00 N ATOM 0 H ARG A 87 -19.069 4.171 3.663 1.00 0.00 H new ATOM 0 HA ARG A 87 -20.504 5.339 1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.611 2.827 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -21.484 3.320 3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -23.245 4.346 1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -22.365 3.901 0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -22.470 1.473 1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -23.593 2.031 2.602 1.00 0.00 H new ATOM 0 HE ARG A 87 -24.491 2.925 0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -24.152 -0.005 1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -25.510 -0.821 1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -26.219 1.867 -0.982 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -26.677 0.237 -0.478 1.00 0.00 H new ATOM 1387 N GLU A 88 -20.773 6.013 4.507 1.00 0.00 N ATOM 1388 CA GLU A 88 -21.396 6.878 5.492 1.00 0.00 C ATOM 1389 C GLU A 88 -20.464 7.071 6.684 1.00 0.00 C ATOM 1390 O GLU A 88 -19.570 6.253 6.915 1.00 0.00 O ATOM 1391 CB GLU A 88 -22.729 6.267 5.936 1.00 0.00 C ATOM 1392 CG GLU A 88 -23.495 7.106 6.936 1.00 0.00 C ATOM 1393 CD GLU A 88 -24.830 6.498 7.285 1.00 0.00 C ATOM 1394 OE1 GLU A 88 -24.848 5.392 7.863 1.00 0.00 O ATOM 1395 OE2 GLU A 88 -25.869 7.123 6.983 1.00 0.00 O ATOM 0 H GLU A 88 -19.976 5.482 4.858 1.00 0.00 H new ATOM 0 HA GLU A 88 -21.588 7.856 5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -23.354 6.109 5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -22.539 5.286 6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.901 7.220 7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -23.648 8.105 6.528 1.00 0.00 H new ATOM 1402 N GLY A 89 -20.665 8.156 7.418 1.00 0.00 N ATOM 1403 CA GLY A 89 -19.843 8.437 8.573 1.00 0.00 C ATOM 1404 C GLY A 89 -18.814 9.500 8.275 1.00 0.00 C ATOM 1405 O GLY A 89 -19.146 10.556 7.733 1.00 0.00 O ATOM 0 H GLY A 89 -21.389 8.850 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -20.475 8.762 9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.342 7.524 8.895 1.00 0.00 H new ATOM 1409 N VAL A 90 -17.568 9.232 8.631 1.00 0.00 N ATOM 1410 CA VAL A 90 -16.475 10.131 8.304 1.00 0.00 C ATOM 1411 C VAL A 90 -16.105 9.991 6.831 1.00 0.00 C ATOM 1412 O VAL A 90 -15.406 9.053 6.440 1.00 0.00 O ATOM 1413 CB VAL A 90 -15.229 9.862 9.177 1.00 0.00 C ATOM 1414 CG1 VAL A 90 -14.115 10.850 8.853 1.00 0.00 C ATOM 1415 CG2 VAL A 90 -15.586 9.924 10.656 1.00 0.00 C ATOM 0 H VAL A 90 -17.289 8.398 9.147 1.00 0.00 H new ATOM 0 HA VAL A 90 -16.815 11.147 8.506 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.869 8.858 8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.249 10.640 9.480 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.836 10.752 7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -14.463 11.865 9.042 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -14.695 9.732 11.254 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -15.977 10.913 10.895 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -16.342 9.171 10.880 1.00 0.00 H new ATOM 1425 N VAL A 91 -16.606 10.908 6.017 1.00 0.00 N ATOM 1426 CA VAL A 91 -16.318 10.904 4.590 1.00 0.00 C ATOM 1427 C VAL A 91 -15.109 11.799 4.299 1.00 0.00 C ATOM 1428 O VAL A 91 -15.045 12.941 4.753 1.00 0.00 O ATOM 1429 CB VAL A 91 -17.556 11.338 3.760 1.00 0.00 C ATOM 1430 CG1 VAL A 91 -18.081 12.691 4.212 1.00 0.00 C ATOM 1431 CG2 VAL A 91 -17.244 11.354 2.270 1.00 0.00 C ATOM 0 H VAL A 91 -17.216 11.667 6.321 1.00 0.00 H new ATOM 0 HA VAL A 91 -16.075 9.885 4.289 1.00 0.00 H new ATOM 0 HB VAL A 91 -18.338 10.599 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -18.948 12.965 3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -18.371 12.637 5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -17.302 13.443 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -18.131 11.662 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -16.433 12.056 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -16.945 10.356 1.950 1.00 0.00 H new ATOM 1441 N PRO A 92 -14.122 11.268 3.568 1.00 0.00 N ATOM 1442 CA PRO A 92 -12.839 11.945 3.339 1.00 0.00 C ATOM 1443 C PRO A 92 -12.930 13.187 2.449 1.00 0.00 C ATOM 1444 O PRO A 92 -13.474 13.140 1.342 1.00 0.00 O ATOM 1445 CB PRO A 92 -11.997 10.875 2.647 1.00 0.00 C ATOM 1446 CG PRO A 92 -12.981 9.965 2.004 1.00 0.00 C ATOM 1447 CD PRO A 92 -14.172 9.948 2.913 1.00 0.00 C ATOM 0 HA PRO A 92 -12.431 12.319 4.278 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.327 11.316 1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.374 10.339 3.363 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.252 10.321 1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.567 8.964 1.882 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.099 9.810 2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.112 9.137 3.639 1.00 0.00 H new ATOM 1455 N PRO A 93 -12.394 14.314 2.938 1.00 0.00 N ATOM 1456 CA PRO A 93 -12.203 15.518 2.146 1.00 0.00 C ATOM 1457 C PRO A 93 -10.799 15.556 1.539 1.00 0.00 C ATOM 1458 O PRO A 93 -10.081 14.552 1.560 1.00 0.00 O ATOM 1459 CB PRO A 93 -12.378 16.623 3.187 1.00 0.00 C ATOM 1460 CG PRO A 93 -11.905 16.025 4.477 1.00 0.00 C ATOM 1461 CD PRO A 93 -11.948 14.520 4.325 1.00 0.00 C ATOM 0 HA PRO A 93 -12.887 15.600 1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.796 17.506 2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -13.419 16.937 3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.893 16.358 4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -12.540 16.345 5.303 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.969 14.073 4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.637 14.067 5.037 1.00 0.00 H new ATOM 1469 N VAL A 94 -10.406 16.701 0.998 1.00 0.00 N ATOM 1470 CA VAL A 94 -9.074 16.851 0.427 1.00 0.00 C ATOM 1471 C VAL A 94 -8.275 17.891 1.204 1.00 0.00 C ATOM 1472 O VAL A 94 -7.187 17.607 1.709 1.00 0.00 O ATOM 1473 CB VAL A 94 -9.129 17.260 -1.062 1.00 0.00 C ATOM 1474 CG1 VAL A 94 -7.730 17.300 -1.662 1.00 0.00 C ATOM 1475 CG2 VAL A 94 -10.020 16.314 -1.850 1.00 0.00 C ATOM 0 H VAL A 94 -10.988 17.537 0.942 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.584 15.880 0.498 1.00 0.00 H new ATOM 0 HB VAL A 94 -9.557 18.261 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.792 17.590 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.122 18.025 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.273 16.314 -1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.043 16.622 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.627 15.300 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.030 16.341 -1.441 1.00 0.00 H new ATOM 1485 N GLY A 95 -8.826 19.096 1.306 1.00 0.00 N ATOM 1486 CA GLY A 95 -8.151 20.163 2.019 1.00 0.00 C ATOM 1487 C GLY A 95 -7.160 20.901 1.140 1.00 0.00 C ATOM 1488 O GLY A 95 -7.166 20.736 -0.081 1.00 0.00 O ATOM 0 H GLY A 95 -9.729 19.352 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.890 20.867 2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.630 19.748 2.882 1.00 0.00 H new ATOM 1492 N ILE A 96 -6.313 21.717 1.765 1.00 0.00 N ATOM 1493 CA ILE A 96 -5.289 22.490 1.058 1.00 0.00 C ATOM 1494 C ILE A 96 -5.944 23.581 0.191 1.00 0.00 C ATOM 1495 O ILE A 96 -5.318 24.147 -0.704 1.00 0.00 O ATOM 1496 CB ILE A 96 -4.368 21.570 0.198 1.00 0.00 C ATOM 1497 CG1 ILE A 96 -3.885 20.369 1.025 1.00 0.00 C ATOM 1498 CG2 ILE A 96 -3.160 22.336 -0.340 1.00 0.00 C ATOM 1499 CD1 ILE A 96 -3.073 20.751 2.248 1.00 0.00 C ATOM 0 H ILE A 96 -6.316 21.862 2.775 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.658 22.973 1.804 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.958 21.216 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.751 19.788 1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.282 19.721 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.539 21.666 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.501 23.163 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.576 22.727 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.769 19.849 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.187 21.306 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.679 21.373 2.907 1.00 0.00 H new ATOM 1511 N THR A 97 -7.204 23.894 0.515 1.00 0.00 N ATOM 1512 CA THR A 97 -7.996 24.922 -0.173 1.00 0.00 C ATOM 1513 C THR A 97 -8.016 24.747 -1.697 1.00 0.00 C ATOM 1514 O THR A 97 -7.085 25.147 -2.400 1.00 0.00 O ATOM 1515 CB THR A 97 -7.535 26.357 0.192 1.00 0.00 C ATOM 1516 OG1 THR A 97 -6.117 26.501 0.026 1.00 0.00 O ATOM 1517 CG2 THR A 97 -7.913 26.693 1.628 1.00 0.00 C ATOM 0 H THR A 97 -7.710 23.435 1.272 1.00 0.00 H new ATOM 0 HA THR A 97 -9.016 24.784 0.186 1.00 0.00 H new ATOM 0 HB THR A 97 -8.040 27.047 -0.484 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.791 25.825 -0.604 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.581 27.704 1.865 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.995 26.630 1.744 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.434 25.986 2.305 1.00 0.00 H new ATOM 1525 N ASN A 98 -9.091 24.149 -2.201 1.00 0.00 N ATOM 1526 CA ASN A 98 -9.249 23.945 -3.638 1.00 0.00 C ATOM 1527 C ASN A 98 -9.921 25.155 -4.284 1.00 0.00 C ATOM 1528 O ASN A 98 -10.966 24.987 -4.941 1.00 0.00 O ATOM 1529 CB ASN A 98 -10.051 22.661 -3.924 1.00 0.00 C ATOM 1530 CG ASN A 98 -11.381 22.598 -3.182 1.00 0.00 C ATOM 1531 OD1 ASN A 98 -12.408 23.068 -3.669 1.00 0.00 O ATOM 1532 ND2 ASN A 98 -11.378 21.981 -2.013 1.00 0.00 N ATOM 1533 OXT ASN A 98 -9.407 26.281 -4.113 1.00 0.00 O ATOM 0 H ASN A 98 -9.865 23.797 -1.637 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.257 23.830 -4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.238 22.590 -4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.448 21.796 -3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.246 21.883 -1.486 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.508 21.603 -1.638 1.00 0.00 H new TER 1540 ASN A 98