USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=40 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 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 47 THR OG1 : rot 168:sc= 1.25 USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= 0.846 USER MOD Set 3.1: A 31 SER OG : rot -29:sc= 0.85 USER MOD Set 3.2: A 32 ASN : amide:sc= -1.53 K(o=-0.68,f=-1.7) USER MOD Set 4.1: A 8 HIS : no HD1:sc= 0 X(o=0.46,f=0.31) USER MOD Set 4.2: A 9 SER OG : rot -35:sc= 0.46 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -4.04! C(o=-4!,f=-9.1!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.29 USER MOD Single : A 13 SER OG : rot 9:sc= 0.704 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -86:sc= -0.272! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.2 F(o=-2.5!,f=-1.2) USER MOD Single : A 37 TYR OH : rot -90:sc= 1.33 USER MOD Single : A 38 GLN : amide:sc= -16.7! C(o=-17!,f=-22!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.6!) USER MOD Single : A 54 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.017) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0547 USER MOD Single : A 70 SER OG : rot 180:sc= 0.00472 USER MOD Single : A 71 SER OG : rot -42:sc= 0.1 USER MOD Single : A 72 ASN : amide:sc= -2.65! C(o=-2.6!,f=-14!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 89 TYR OH : rot 153:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= 0.534 F(o=-1.5!,f=0.53) USER MOD Single : A 93 SER OG : rot 180:sc= -0.575 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.0615 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0508 USER MOD Single : A 98 ASN : amide:sc= -0.143 K(o=-0.14,f=-0.99) USER MOD Single : A 99 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-9.8!) USER MOD Single : A 106 THR OG1 : rot -30:sc= 0.948 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 73.534 7.171 -11.976 1.00 0.00 N ATOM 38 CA MET A 3 74.749 6.363 -11.993 1.00 0.00 C ATOM 39 C MET A 3 75.615 6.703 -10.782 1.00 0.00 C ATOM 40 O MET A 3 75.451 7.773 -10.195 1.00 0.00 O ATOM 41 CB MET A 3 75.543 6.633 -13.274 1.00 0.00 C ATOM 42 CG MET A 3 74.675 6.359 -14.504 1.00 0.00 C ATOM 43 SD MET A 3 75.696 6.491 -15.993 1.00 0.00 S ATOM 44 CE MET A 3 75.149 4.974 -16.814 1.00 0.00 C ATOM 0 HA MET A 3 74.469 5.310 -11.958 1.00 0.00 H new ATOM 0 HB2 MET A 3 75.886 7.667 -13.286 1.00 0.00 H new ATOM 0 HB3 MET A 3 76.431 6.002 -13.299 1.00 0.00 H new ATOM 0 HG2 MET A 3 74.233 5.365 -14.438 1.00 0.00 H new ATOM 0 HG3 MET A 3 73.851 7.071 -14.549 1.00 0.00 H new ATOM 0 HE1 MET A 3 75.669 4.868 -17.766 1.00 0.00 H new ATOM 0 HE2 MET A 3 75.374 4.116 -16.180 1.00 0.00 H new ATOM 0 HE3 MET A 3 74.075 5.023 -16.991 1.00 0.00 H new ATOM 54 N LEU A 4 76.587 5.855 -10.451 1.00 0.00 N ATOM 55 CA LEU A 4 77.480 6.110 -9.326 1.00 0.00 C ATOM 56 C LEU A 4 78.932 6.141 -9.789 1.00 0.00 C ATOM 57 O LEU A 4 79.305 5.477 -10.757 1.00 0.00 O ATOM 58 CB LEU A 4 77.305 5.004 -8.281 1.00 0.00 C ATOM 59 CG LEU A 4 75.864 5.003 -7.750 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.449 3.607 -7.269 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.729 5.995 -6.590 1.00 0.00 C ATOM 0 H LEU A 4 76.775 4.984 -10.948 1.00 0.00 H new ATOM 0 HA LEU A 4 77.230 7.078 -8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.539 4.035 -8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 4 78.004 5.156 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 4 75.209 5.299 -8.569 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.424 3.639 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.513 2.902 -8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 4 76.114 3.286 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.703 5.986 -6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.406 5.708 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 4 75.981 6.997 -6.937 1.00 0.00 H new ATOM 73 N THR A 5 79.750 6.912 -9.079 1.00 0.00 N ATOM 74 CA THR A 5 81.169 7.035 -9.398 1.00 0.00 C ATOM 75 C THR A 5 82.004 6.762 -8.150 1.00 0.00 C ATOM 76 O THR A 5 81.938 7.507 -7.173 1.00 0.00 O ATOM 77 CB THR A 5 81.444 8.443 -9.936 1.00 0.00 C ATOM 78 OG1 THR A 5 80.960 8.535 -11.268 1.00 0.00 O ATOM 79 CG2 THR A 5 82.946 8.742 -9.930 1.00 0.00 C ATOM 0 H THR A 5 79.452 7.464 -8.274 1.00 0.00 H new ATOM 0 HA THR A 5 81.442 6.305 -10.160 1.00 0.00 H new ATOM 0 HB THR A 5 80.939 9.166 -9.296 1.00 0.00 H new ATOM 0 HG1 THR A 5 81.132 9.435 -11.617 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.119 9.747 -10.316 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.326 8.674 -8.911 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.464 8.018 -10.559 1.00 0.00 H new ATOM 87 N GLN A 6 82.882 5.767 -8.242 1.00 0.00 N ATOM 88 CA GLN A 6 83.715 5.364 -7.113 1.00 0.00 C ATOM 89 C GLN A 6 85.082 4.937 -7.644 1.00 0.00 C ATOM 90 O GLN A 6 85.203 4.555 -8.808 1.00 0.00 O ATOM 91 CB GLN A 6 83.050 4.234 -6.309 1.00 0.00 C ATOM 92 CG GLN A 6 81.670 3.882 -6.874 1.00 0.00 C ATOM 93 CD GLN A 6 81.177 2.572 -6.269 1.00 0.00 C ATOM 94 OE1 GLN A 6 80.503 1.799 -6.949 1.00 0.00 O ATOM 95 NE2 GLN A 6 81.637 2.181 -5.113 1.00 0.00 N ATOM 0 H GLN A 6 83.035 5.223 -9.091 1.00 0.00 H new ATOM 0 HA GLN A 6 83.838 6.205 -6.431 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.688 3.350 -6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 6 82.951 4.537 -5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 6 80.963 4.682 -6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.724 3.793 -7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.196 2.817 -4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.438 1.239 -4.777 1.00 0.00 H new ATOM 104 N PRO A 7 86.061 4.820 -6.787 1.00 0.00 N ATOM 105 CA PRO A 7 87.434 4.418 -7.199 1.00 0.00 C ATOM 106 C PRO A 7 87.415 3.103 -7.972 1.00 0.00 C ATOM 107 O PRO A 7 86.465 2.328 -7.862 1.00 0.00 O ATOM 108 CB PRO A 7 88.215 4.282 -5.884 1.00 0.00 C ATOM 109 CG PRO A 7 87.291 4.677 -4.773 1.00 0.00 C ATOM 110 CD PRO A 7 86.047 5.311 -5.400 1.00 0.00 C ATOM 0 HA PRO A 7 87.890 5.146 -7.869 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.563 3.258 -5.748 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.098 4.920 -5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.017 3.807 -4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.781 5.382 -4.101 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.139 5.009 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.090 6.399 -5.361 1.00 0.00 H new ATOM 118 N HIS A 8 88.402 2.917 -8.843 1.00 0.00 N ATOM 119 CA HIS A 8 88.517 1.685 -9.617 1.00 0.00 C ATOM 120 C HIS A 8 89.322 0.632 -8.861 1.00 0.00 C ATOM 121 O HIS A 8 89.102 -0.566 -9.040 1.00 0.00 O ATOM 122 CB HIS A 8 89.176 1.982 -10.965 1.00 0.00 C ATOM 123 CG HIS A 8 88.951 0.831 -11.906 1.00 0.00 C ATOM 124 ND1 HIS A 8 87.832 0.749 -12.719 1.00 0.00 N ATOM 125 CD2 HIS A 8 89.662 -0.324 -12.128 1.00 0.00 C ATOM 126 CE1 HIS A 8 87.917 -0.399 -13.411 1.00 0.00 C ATOM 127 NE2 HIS A 8 89.011 -1.094 -13.090 1.00 0.00 N ATOM 0 H HIS A 8 89.133 3.603 -9.031 1.00 0.00 H new ATOM 0 HA HIS A 8 87.515 1.288 -9.782 1.00 0.00 H new ATOM 0 HB2 HIS A 8 88.762 2.897 -11.389 1.00 0.00 H new ATOM 0 HB3 HIS A 8 90.244 2.149 -10.829 1.00 0.00 H new ATOM 0 HD2 HIS A 8 90.583 -0.593 -11.633 1.00 0.00 H new ATOM 0 HE1 HIS A 8 87.188 -0.721 -14.140 1.00 0.00 H new ATOM 0 HE2 HIS A 8 89.307 -1.994 -13.467 1.00 0.00 H new ATOM 135 N SER A 9 90.348 1.070 -8.137 1.00 0.00 N ATOM 136 CA SER A 9 91.206 0.132 -7.421 1.00 0.00 C ATOM 137 C SER A 9 92.020 0.859 -6.355 1.00 0.00 C ATOM 138 O SER A 9 92.412 2.011 -6.539 1.00 0.00 O ATOM 139 CB SER A 9 92.153 -0.564 -8.399 1.00 0.00 C ATOM 140 OG SER A 9 91.395 -1.180 -9.429 1.00 0.00 O ATOM 0 H SER A 9 90.603 2.052 -8.031 1.00 0.00 H new ATOM 0 HA SER A 9 90.573 -0.612 -6.937 1.00 0.00 H new ATOM 0 HB2 SER A 9 92.848 0.159 -8.826 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.750 -1.310 -7.876 1.00 0.00 H new ATOM 0 HG SER A 9 90.550 -1.512 -9.059 1.00 0.00 H new ATOM 146 N VAL A 10 92.263 0.181 -5.238 1.00 0.00 N ATOM 147 CA VAL A 10 93.023 0.772 -4.142 1.00 0.00 C ATOM 148 C VAL A 10 93.530 -0.321 -3.207 1.00 0.00 C ATOM 149 O VAL A 10 92.905 -1.370 -3.063 1.00 0.00 O ATOM 150 CB VAL A 10 92.151 1.777 -3.380 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.744 1.211 -3.126 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.826 2.166 -2.060 1.00 0.00 C ATOM 0 H VAL A 10 91.946 -0.774 -5.068 1.00 0.00 H new ATOM 0 HA VAL A 10 93.884 1.302 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 10 92.042 2.671 -3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.149 1.946 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.264 0.987 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.820 0.298 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 10 92.198 2.880 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.965 1.276 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.796 2.619 -2.267 1.00 0.00 H new ATOM 162 N SER A 11 94.663 -0.062 -2.561 1.00 0.00 N ATOM 163 CA SER A 11 95.262 -1.019 -1.636 1.00 0.00 C ATOM 164 C SER A 11 95.700 -0.319 -0.355 1.00 0.00 C ATOM 165 O SER A 11 95.949 0.887 -0.350 1.00 0.00 O ATOM 166 CB SER A 11 96.480 -1.675 -2.289 1.00 0.00 C ATOM 167 OG SER A 11 96.083 -2.330 -3.484 1.00 0.00 O ATOM 0 H SER A 11 95.187 0.807 -2.662 1.00 0.00 H new ATOM 0 HA SER A 11 94.518 -1.777 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 11 97.237 -0.922 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.932 -2.391 -1.603 1.00 0.00 H new ATOM 0 HG SER A 11 96.864 -2.749 -3.903 1.00 0.00 H new ATOM 173 N GLU A 12 95.759 -1.072 0.740 1.00 0.00 N ATOM 174 CA GLU A 12 96.156 -0.507 2.025 1.00 0.00 C ATOM 175 C GLU A 12 96.708 -1.597 2.940 1.00 0.00 C ATOM 176 O GLU A 12 96.281 -2.750 2.871 1.00 0.00 O ATOM 177 CB GLU A 12 94.944 0.187 2.661 1.00 0.00 C ATOM 178 CG GLU A 12 95.317 1.577 3.185 1.00 0.00 C ATOM 179 CD GLU A 12 96.535 1.477 4.096 1.00 0.00 C ATOM 180 OE1 GLU A 12 96.530 0.616 4.960 1.00 0.00 O ATOM 181 OE2 GLU A 12 97.447 2.268 3.924 1.00 0.00 O ATOM 0 H GLU A 12 95.539 -2.068 0.763 1.00 0.00 H new ATOM 0 HA GLU A 12 96.948 0.227 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 12 94.144 0.275 1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.560 -0.422 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 12 95.530 2.245 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 12 94.477 2.007 3.731 1.00 0.00 H new ATOM 188 N SER A 13 97.617 -1.217 3.835 1.00 0.00 N ATOM 189 CA SER A 13 98.211 -2.168 4.770 1.00 0.00 C ATOM 190 C SER A 13 97.389 -2.221 6.059 1.00 0.00 C ATOM 191 O SER A 13 96.852 -1.196 6.479 1.00 0.00 O ATOM 192 CB SER A 13 99.661 -1.765 5.056 1.00 0.00 C ATOM 193 OG SER A 13 100.494 -2.908 4.924 1.00 0.00 O ATOM 0 H SER A 13 97.957 -0.260 3.932 1.00 0.00 H new ATOM 0 HA SER A 13 98.208 -3.165 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 13 99.979 -0.986 4.363 1.00 0.00 H new ATOM 0 HB3 SER A 13 99.746 -1.352 6.061 1.00 0.00 H new ATOM 0 HG SER A 13 99.976 -3.648 4.545 1.00 0.00 H new ATOM 199 N PRO A 14 97.377 -3.321 6.766 1.00 0.00 N ATOM 200 CA PRO A 14 96.593 -3.428 8.028 1.00 0.00 C ATOM 201 C PRO A 14 97.097 -2.449 9.084 1.00 0.00 C ATOM 202 O PRO A 14 98.249 -2.018 9.046 1.00 0.00 O ATOM 203 CB PRO A 14 96.732 -4.886 8.490 1.00 0.00 C ATOM 204 CG PRO A 14 97.591 -5.596 7.491 1.00 0.00 C ATOM 205 CD PRO A 14 97.959 -4.615 6.373 1.00 0.00 C ATOM 0 HA PRO A 14 95.547 -3.168 7.867 1.00 0.00 H new ATOM 0 HB2 PRO A 14 97.180 -4.932 9.482 1.00 0.00 H new ATOM 0 HB3 PRO A 14 95.753 -5.361 8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 14 98.492 -5.977 7.971 1.00 0.00 H new ATOM 0 HG3 PRO A 14 97.061 -6.455 7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 14 99.040 -4.539 6.260 1.00 0.00 H new ATOM 0 HD3 PRO A 14 97.561 -4.948 5.414 1.00 0.00 H new ATOM 213 N GLY A 15 96.224 -2.115 10.030 1.00 0.00 N ATOM 214 CA GLY A 15 96.578 -1.210 11.119 1.00 0.00 C ATOM 215 C GLY A 15 96.144 0.216 10.797 1.00 0.00 C ATOM 216 O GLY A 15 95.871 1.009 11.698 1.00 0.00 O ATOM 0 H GLY A 15 95.264 -2.458 10.064 1.00 0.00 H new ATOM 0 HA2 GLY A 15 96.102 -1.541 12.042 1.00 0.00 H new ATOM 0 HA3 GLY A 15 97.655 -1.239 11.287 1.00 0.00 H new ATOM 220 N LYS A 16 95.996 0.510 9.509 1.00 0.00 N ATOM 221 CA LYS A 16 95.541 1.826 9.073 1.00 0.00 C ATOM 222 C LYS A 16 94.037 1.809 8.824 1.00 0.00 C ATOM 223 O LYS A 16 93.331 0.916 9.293 1.00 0.00 O ATOM 224 CB LYS A 16 96.259 2.220 7.781 1.00 0.00 C ATOM 225 CG LYS A 16 97.767 2.018 7.941 1.00 0.00 C ATOM 226 CD LYS A 16 98.292 2.895 9.082 1.00 0.00 C ATOM 227 CE LYS A 16 99.807 3.074 8.961 1.00 0.00 C ATOM 228 NZ LYS A 16 100.248 4.132 9.913 1.00 0.00 N ATOM 0 H LYS A 16 96.184 -0.144 8.750 1.00 0.00 H new ATOM 0 HA LYS A 16 95.768 2.550 9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 16 95.889 1.618 6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 16 96.046 3.261 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.982 0.970 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 16 98.277 2.271 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 16 97.801 3.868 9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 16 98.048 2.439 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 16 100.316 2.135 9.180 1.00 0.00 H new ATOM 0 HE3 LYS A 16 100.073 3.351 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.277 4.260 9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 99.770 5.027 9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 100.005 3.849 10.884 1.00 0.00 H new ATOM 242 N THR A 17 93.554 2.791 8.067 1.00 0.00 N ATOM 243 CA THR A 17 92.136 2.880 7.734 1.00 0.00 C ATOM 244 C THR A 17 91.928 2.962 6.227 1.00 0.00 C ATOM 245 O THR A 17 92.833 3.322 5.475 1.00 0.00 O ATOM 246 CB THR A 17 91.510 4.119 8.375 1.00 0.00 C ATOM 247 OG1 THR A 17 92.171 5.284 7.905 1.00 0.00 O ATOM 248 CG2 THR A 17 91.651 4.037 9.896 1.00 0.00 C ATOM 0 H THR A 17 94.126 3.538 7.672 1.00 0.00 H new ATOM 0 HA THR A 17 91.658 1.979 8.118 1.00 0.00 H new ATOM 0 HB THR A 17 90.454 4.166 8.109 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.767 6.077 8.315 1.00 0.00 H new ATOM 0 HG21 THR A 17 91.204 4.921 10.351 1.00 0.00 H new ATOM 0 HG22 THR A 17 91.142 3.145 10.261 1.00 0.00 H new ATOM 0 HG23 THR A 17 92.707 3.987 10.161 1.00 0.00 H new ATOM 256 N VAL A 18 90.709 2.641 5.807 1.00 0.00 N ATOM 257 CA VAL A 18 90.319 2.732 4.404 1.00 0.00 C ATOM 258 C VAL A 18 89.079 3.604 4.252 1.00 0.00 C ATOM 259 O VAL A 18 88.128 3.512 5.027 1.00 0.00 O ATOM 260 CB VAL A 18 90.071 1.323 3.859 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.235 1.376 2.577 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.412 0.639 3.573 1.00 0.00 C ATOM 0 H VAL A 18 89.967 2.312 6.425 1.00 0.00 H new ATOM 0 HA VAL A 18 91.121 3.197 3.831 1.00 0.00 H new ATOM 0 HB VAL A 18 89.520 0.753 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 18 89.071 0.364 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.274 1.845 2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.764 1.957 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 18 91.233 -0.364 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 18 91.967 1.220 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 18 91.991 0.574 4.494 1.00 0.00 H new ATOM 272 N THR A 19 89.122 4.484 3.259 1.00 0.00 N ATOM 273 CA THR A 19 87.991 5.348 2.950 1.00 0.00 C ATOM 274 C THR A 19 87.502 5.071 1.532 1.00 0.00 C ATOM 275 O THR A 19 88.233 5.260 0.560 1.00 0.00 O ATOM 276 CB THR A 19 88.432 6.804 3.111 1.00 0.00 C ATOM 277 OG1 THR A 19 88.651 7.078 4.487 1.00 0.00 O ATOM 278 CG2 THR A 19 87.344 7.733 2.571 1.00 0.00 C ATOM 0 H THR A 19 89.931 4.618 2.653 1.00 0.00 H new ATOM 0 HA THR A 19 87.163 5.151 3.631 1.00 0.00 H new ATOM 0 HB THR A 19 89.354 6.969 2.554 1.00 0.00 H new ATOM 0 HG1 THR A 19 88.935 8.010 4.594 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.660 8.770 2.687 1.00 0.00 H new ATOM 0 HG22 THR A 19 87.175 7.521 1.515 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.420 7.572 3.126 1.00 0.00 H new ATOM 286 N ILE A 20 86.221 4.735 1.413 1.00 0.00 N ATOM 287 CA ILE A 20 85.614 4.506 0.106 1.00 0.00 C ATOM 288 C ILE A 20 84.722 5.686 -0.266 1.00 0.00 C ATOM 289 O ILE A 20 83.741 5.970 0.421 1.00 0.00 O ATOM 290 CB ILE A 20 84.780 3.222 0.136 1.00 0.00 C ATOM 291 CG1 ILE A 20 85.634 2.049 0.627 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.247 2.920 -1.266 1.00 0.00 C ATOM 293 CD1 ILE A 20 86.886 1.870 -0.237 1.00 0.00 C ATOM 0 H ILE A 20 85.586 4.616 2.202 1.00 0.00 H new ATOM 0 HA ILE A 20 86.404 4.404 -0.638 1.00 0.00 H new ATOM 0 HB ILE A 20 83.943 3.361 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 20 85.926 2.218 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 20 85.043 1.133 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 20 83.654 2.006 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.623 3.748 -1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.083 2.791 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 20 87.470 1.030 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 20 86.592 1.676 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 20 87.489 2.777 -0.197 1.00 0.00 H new ATOM 305 N SER A 21 85.004 6.311 -1.406 1.00 0.00 N ATOM 306 CA SER A 21 84.227 7.460 -1.860 1.00 0.00 C ATOM 307 C SER A 21 83.255 7.030 -2.956 1.00 0.00 C ATOM 308 O SER A 21 83.672 6.495 -3.982 1.00 0.00 O ATOM 309 CB SER A 21 85.177 8.532 -2.402 1.00 0.00 C ATOM 310 OG SER A 21 86.304 8.650 -1.546 1.00 0.00 O ATOM 0 H SER A 21 85.764 6.042 -2.031 1.00 0.00 H new ATOM 0 HA SER A 21 83.659 7.866 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.499 8.270 -3.410 1.00 0.00 H new ATOM 0 HB3 SER A 21 84.659 9.489 -2.472 1.00 0.00 H new ATOM 0 HG SER A 21 86.911 9.335 -1.896 1.00 0.00 H new ATOM 316 N CYS A 22 81.966 7.298 -2.763 1.00 0.00 N ATOM 317 CA CYS A 22 80.950 6.970 -3.764 1.00 0.00 C ATOM 318 C CYS A 22 80.130 8.234 -4.040 1.00 0.00 C ATOM 319 O CYS A 22 79.455 8.746 -3.147 1.00 0.00 O ATOM 320 CB CYS A 22 80.058 5.823 -3.246 1.00 0.00 C ATOM 321 SG CYS A 22 80.786 4.181 -3.538 1.00 0.00 S ATOM 0 H CYS A 22 81.598 7.742 -1.922 1.00 0.00 H new ATOM 0 HA CYS A 22 81.413 6.632 -4.691 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.887 5.955 -2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.085 5.876 -3.734 1.00 0.00 H new ATOM 326 N THR A 23 80.173 8.747 -5.271 1.00 0.00 N ATOM 327 CA THR A 23 79.393 9.925 -5.659 1.00 0.00 C ATOM 328 C THR A 23 78.325 9.540 -6.680 1.00 0.00 C ATOM 329 O THR A 23 78.625 8.900 -7.688 1.00 0.00 O ATOM 330 CB THR A 23 80.301 11.025 -6.222 1.00 0.00 C ATOM 331 OG1 THR A 23 80.975 11.667 -5.149 1.00 0.00 O ATOM 332 CG2 THR A 23 79.495 12.087 -6.980 1.00 0.00 C ATOM 0 H THR A 23 80.745 8.361 -6.023 1.00 0.00 H new ATOM 0 HA THR A 23 78.902 10.316 -4.768 1.00 0.00 H new ATOM 0 HB THR A 23 81.005 10.557 -6.910 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.558 12.370 -5.503 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.171 12.851 -7.365 1.00 0.00 H new ATOM 0 HG22 THR A 23 78.966 11.619 -7.810 1.00 0.00 H new ATOM 0 HG23 THR A 23 78.774 12.548 -6.304 1.00 0.00 H new ATOM 340 N GLY A 24 77.120 10.072 -6.498 1.00 0.00 N ATOM 341 CA GLY A 24 76.007 9.792 -7.398 1.00 0.00 C ATOM 342 C GLY A 24 75.813 10.924 -8.400 1.00 0.00 C ATOM 343 O GLY A 24 76.480 11.955 -8.323 1.00 0.00 O ATOM 0 H GLY A 24 76.889 10.703 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.192 8.859 -7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.094 9.654 -6.820 1.00 0.00 H new ATOM 347 N SER A 25 75.001 10.662 -9.420 1.00 0.00 N ATOM 348 CA SER A 25 74.738 11.649 -10.463 1.00 0.00 C ATOM 349 C SER A 25 73.237 11.831 -10.663 1.00 0.00 C ATOM 350 O SER A 25 72.475 10.865 -10.632 1.00 0.00 O ATOM 351 CB SER A 25 75.385 11.204 -11.776 1.00 0.00 C ATOM 352 OG SER A 25 75.446 12.308 -12.667 1.00 0.00 O ATOM 0 H SER A 25 74.514 9.775 -9.547 1.00 0.00 H new ATOM 0 HA SER A 25 75.167 12.602 -10.154 1.00 0.00 H new ATOM 0 HB2 SER A 25 76.387 10.818 -11.588 1.00 0.00 H new ATOM 0 HB3 SER A 25 74.809 10.393 -12.222 1.00 0.00 H new ATOM 0 HG SER A 25 75.862 12.027 -13.509 1.00 0.00 H new ATOM 358 N SER A 26 72.830 13.070 -10.920 1.00 0.00 N ATOM 359 CA SER A 26 71.423 13.388 -11.136 1.00 0.00 C ATOM 360 C SER A 26 70.691 13.487 -9.801 1.00 0.00 C ATOM 361 O SER A 26 70.084 14.512 -9.491 1.00 0.00 O ATOM 362 CB SER A 26 70.761 12.320 -12.014 1.00 0.00 C ATOM 363 OG SER A 26 70.033 11.414 -11.199 1.00 0.00 O ATOM 0 H SER A 26 73.457 13.872 -10.984 1.00 0.00 H new ATOM 0 HA SER A 26 71.363 14.350 -11.646 1.00 0.00 H new ATOM 0 HB2 SER A 26 70.094 12.791 -12.736 1.00 0.00 H new ATOM 0 HB3 SER A 26 71.519 11.783 -12.584 1.00 0.00 H new ATOM 0 HG SER A 26 70.632 10.707 -10.881 1.00 0.00 H new ATOM 369 N GLY A 27 70.669 12.384 -9.060 1.00 0.00 N ATOM 370 CA GLY A 27 69.977 12.336 -7.776 1.00 0.00 C ATOM 371 C GLY A 27 70.946 12.595 -6.626 1.00 0.00 C ATOM 372 O GLY A 27 72.161 12.636 -6.820 1.00 0.00 O ATOM 0 H GLY A 27 71.123 11.510 -9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 27 69.180 13.079 -7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 27 69.506 11.361 -7.648 1.00 0.00 H new ATOM 376 N SER A 28 70.399 12.786 -5.429 1.00 0.00 N ATOM 377 CA SER A 28 71.215 13.036 -4.246 1.00 0.00 C ATOM 378 C SER A 28 71.303 11.779 -3.387 1.00 0.00 C ATOM 379 O SER A 28 70.296 11.115 -3.140 1.00 0.00 O ATOM 380 CB SER A 28 70.609 14.179 -3.430 1.00 0.00 C ATOM 381 OG SER A 28 70.255 15.243 -4.300 1.00 0.00 O ATOM 0 H SER A 28 69.394 12.772 -5.253 1.00 0.00 H new ATOM 0 HA SER A 28 72.219 13.314 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 28 69.730 13.828 -2.890 1.00 0.00 H new ATOM 0 HB3 SER A 28 71.324 14.527 -2.684 1.00 0.00 H new ATOM 0 HG SER A 28 69.865 15.976 -3.779 1.00 0.00 H new ATOM 387 N ILE A 29 72.483 11.533 -2.829 1.00 0.00 N ATOM 388 CA ILE A 29 72.682 10.350 -1.998 1.00 0.00 C ATOM 389 C ILE A 29 72.012 10.532 -0.640 1.00 0.00 C ATOM 390 O ILE A 29 72.007 9.616 0.183 1.00 0.00 O ATOM 391 CB ILE A 29 74.176 10.066 -1.795 1.00 0.00 C ATOM 392 CG1 ILE A 29 74.904 11.348 -1.370 1.00 0.00 C ATOM 393 CG2 ILE A 29 74.815 9.504 -3.078 1.00 0.00 C ATOM 394 CD1 ILE A 29 74.528 11.826 0.034 1.00 0.00 C ATOM 0 H ILE A 29 73.306 12.127 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 29 72.229 9.503 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 29 74.272 9.317 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.980 11.176 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 29 74.680 12.138 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 29 75.874 9.313 -2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.319 8.574 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 29 74.705 10.227 -3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.080 12.736 0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.458 12.030 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.778 11.053 0.761 1.00 0.00 H new ATOM 406 N ALA A 30 71.431 11.706 -0.416 1.00 0.00 N ATOM 407 CA ALA A 30 70.757 11.997 0.845 1.00 0.00 C ATOM 408 C ALA A 30 69.247 11.887 0.660 1.00 0.00 C ATOM 409 O ALA A 30 68.503 11.689 1.620 1.00 0.00 O ATOM 410 CB ALA A 30 71.124 13.415 1.291 1.00 0.00 C ATOM 0 H ALA A 30 71.413 12.471 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 30 71.072 11.281 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.624 13.641 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.203 13.486 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.806 14.129 0.531 1.00 0.00 H new ATOM 416 N SER A 31 68.813 11.962 -0.594 1.00 0.00 N ATOM 417 CA SER A 31 67.395 11.842 -0.913 1.00 0.00 C ATOM 418 C SER A 31 66.954 10.382 -0.901 1.00 0.00 C ATOM 419 O SER A 31 65.767 10.084 -1.037 1.00 0.00 O ATOM 420 CB SER A 31 67.097 12.464 -2.278 1.00 0.00 C ATOM 421 OG SER A 31 67.674 11.665 -3.301 1.00 0.00 O ATOM 0 H SER A 31 69.419 12.105 -1.402 1.00 0.00 H new ATOM 0 HA SER A 31 66.834 12.380 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 31 66.020 12.541 -2.427 1.00 0.00 H new ATOM 0 HB3 SER A 31 67.498 13.476 -2.323 1.00 0.00 H new ATOM 0 HG SER A 31 68.473 11.216 -2.954 1.00 0.00 H new ATOM 427 N ASN A 32 67.919 9.472 -0.800 1.00 0.00 N ATOM 428 CA ASN A 32 67.629 8.040 -0.843 1.00 0.00 C ATOM 429 C ASN A 32 68.599 7.282 0.060 1.00 0.00 C ATOM 430 O ASN A 32 69.641 7.810 0.449 1.00 0.00 O ATOM 431 CB ASN A 32 67.728 7.522 -2.284 1.00 0.00 C ATOM 432 CG ASN A 32 67.473 8.654 -3.273 1.00 0.00 C ATOM 433 OD1 ASN A 32 68.419 9.216 -3.826 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.249 9.023 -3.532 1.00 0.00 N ATOM 0 H ASN A 32 68.907 9.699 -0.688 1.00 0.00 H new ATOM 0 HA ASN A 32 66.613 7.875 -0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.716 7.095 -2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.003 6.723 -2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 32 66.073 9.779 -4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 32 65.467 8.556 -3.072 1.00 0.00 H new ATOM 441 N TYR A 33 68.248 6.044 0.396 1.00 0.00 N ATOM 442 CA TYR A 33 69.082 5.228 1.272 1.00 0.00 C ATOM 443 C TYR A 33 70.145 4.490 0.465 1.00 0.00 C ATOM 444 O TYR A 33 69.901 4.100 -0.677 1.00 0.00 O ATOM 445 CB TYR A 33 68.212 4.209 2.012 1.00 0.00 C ATOM 446 CG TYR A 33 67.073 4.920 2.702 1.00 0.00 C ATOM 447 CD1 TYR A 33 67.241 5.419 3.999 1.00 0.00 C ATOM 448 CD2 TYR A 33 65.827 5.016 2.070 1.00 0.00 C ATOM 449 CE1 TYR A 33 66.174 6.054 4.647 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.762 5.653 2.716 1.00 0.00 C ATOM 451 CZ TYR A 33 64.936 6.172 4.005 1.00 0.00 C ATOM 452 OH TYR A 33 63.887 6.806 4.640 1.00 0.00 O ATOM 0 H TYR A 33 67.395 5.585 0.076 1.00 0.00 H new ATOM 0 HA TYR A 33 69.574 5.884 1.990 1.00 0.00 H new ATOM 0 HB2 TYR A 33 67.822 3.472 1.310 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.812 3.667 2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.192 5.314 4.499 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.688 4.598 1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.307 6.453 5.642 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.806 5.744 2.221 1.00 0.00 H new ATOM 0 HH TYR A 33 63.100 6.802 4.055 1.00 0.00 H new ATOM 462 N VAL A 34 71.331 4.318 1.045 1.00 0.00 N ATOM 463 CA VAL A 34 72.425 3.618 0.376 1.00 0.00 C ATOM 464 C VAL A 34 72.906 2.469 1.256 1.00 0.00 C ATOM 465 O VAL A 34 72.863 2.554 2.483 1.00 0.00 O ATOM 466 CB VAL A 34 73.563 4.604 0.083 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.888 3.878 -0.202 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.175 5.479 -1.113 1.00 0.00 C ATOM 0 H VAL A 34 71.559 4.655 1.980 1.00 0.00 H new ATOM 0 HA VAL A 34 72.079 3.204 -0.571 1.00 0.00 H new ATOM 0 HB VAL A 34 73.715 5.224 0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.668 4.611 -0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.169 3.280 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.767 3.228 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 34 73.980 6.182 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 34 73.004 4.848 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.264 6.030 -0.880 1.00 0.00 H new ATOM 478 N GLN A 35 73.248 1.346 0.630 1.00 0.00 N ATOM 479 CA GLN A 35 73.766 0.192 1.359 1.00 0.00 C ATOM 480 C GLN A 35 75.121 -0.216 0.795 1.00 0.00 C ATOM 481 O GLN A 35 75.502 0.196 -0.301 1.00 0.00 O ATOM 482 CB GLN A 35 72.804 -0.993 1.240 1.00 0.00 C ATOM 483 CG GLN A 35 71.450 -0.640 1.863 1.00 0.00 C ATOM 484 CD GLN A 35 70.597 0.151 0.878 1.00 0.00 C ATOM 485 OE1 GLN A 35 70.613 -0.164 -0.389 1.00 0.00 O flip ATOM 486 NE2 GLN A 35 69.828 1.022 1.285 1.00 0.00 N flip ATOM 0 H GLN A 35 73.176 1.211 -0.378 1.00 0.00 H new ATOM 0 HA GLN A 35 73.870 0.470 2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.672 -1.259 0.191 1.00 0.00 H new ATOM 0 HB3 GLN A 35 73.226 -1.865 1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 35 70.928 -1.552 2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.602 -0.057 2.771 1.00 0.00 H new ATOM 0 HE21 GLN A 35 69.815 1.269 2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 35 69.204 1.497 0.633 1.00 0.00 H new ATOM 495 N TRP A 36 75.876 -0.972 1.585 1.00 0.00 N ATOM 496 CA TRP A 36 77.216 -1.396 1.197 1.00 0.00 C ATOM 497 C TRP A 36 77.366 -2.901 1.386 1.00 0.00 C ATOM 498 O TRP A 36 76.874 -3.466 2.362 1.00 0.00 O ATOM 499 CB TRP A 36 78.252 -0.664 2.050 1.00 0.00 C ATOM 500 CG TRP A 36 77.984 0.805 2.002 1.00 0.00 C ATOM 501 CD1 TRP A 36 76.923 1.415 2.578 1.00 0.00 C ATOM 502 CD2 TRP A 36 78.830 1.868 1.471 1.00 0.00 C ATOM 503 NE1 TRP A 36 77.031 2.778 2.381 1.00 0.00 N ATOM 504 CE2 TRP A 36 78.199 3.111 1.727 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.080 1.880 0.830 1.00 0.00 C ATOM 506 CZ2 TRP A 36 78.772 4.320 1.317 1.00 0.00 C ATOM 507 CZ3 TRP A 36 80.643 3.087 0.394 1.00 0.00 C ATOM 508 CH2 TRP A 36 79.997 4.304 0.643 1.00 0.00 C ATOM 0 H TRP A 36 75.580 -1.305 2.503 1.00 0.00 H new ATOM 0 HA TRP A 36 77.374 -1.155 0.146 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.209 -1.020 3.079 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.256 -0.874 1.682 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.122 0.918 3.106 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.332 3.456 2.683 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.611 0.953 0.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.273 5.256 1.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 81.583 3.078 -0.138 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.445 5.230 0.315 1.00 0.00 H new ATOM 519 N TYR A 37 78.069 -3.540 0.456 1.00 0.00 N ATOM 520 CA TYR A 37 78.282 -4.982 0.508 1.00 0.00 C ATOM 521 C TYR A 37 79.633 -5.325 -0.113 1.00 0.00 C ATOM 522 O TYR A 37 80.156 -4.578 -0.939 1.00 0.00 O ATOM 523 CB TYR A 37 77.129 -5.731 -0.171 1.00 0.00 C ATOM 524 CG TYR A 37 77.400 -5.949 -1.641 1.00 0.00 C ATOM 525 CD1 TYR A 37 78.284 -6.960 -2.033 1.00 0.00 C ATOM 526 CD2 TYR A 37 76.815 -5.113 -2.598 1.00 0.00 C ATOM 527 CE1 TYR A 37 78.591 -7.132 -3.388 1.00 0.00 C ATOM 528 CE2 TYR A 37 77.048 -5.349 -3.958 1.00 0.00 C ATOM 529 CZ TYR A 37 77.964 -6.333 -4.351 1.00 0.00 C ATOM 530 OH TYR A 37 78.230 -6.542 -5.689 1.00 0.00 O ATOM 0 H TYR A 37 78.502 -3.080 -0.345 1.00 0.00 H new ATOM 0 HA TYR A 37 78.297 -5.306 1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 37 76.980 -6.693 0.319 1.00 0.00 H new ATOM 0 HB3 TYR A 37 76.205 -5.165 -0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 37 78.729 -7.607 -1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.187 -4.290 -2.289 1.00 0.00 H new ATOM 0 HE1 TYR A 37 79.310 -7.879 -3.690 1.00 0.00 H new ATOM 0 HE2 TYR A 37 76.522 -4.772 -4.704 1.00 0.00 H new ATOM 0 HH TYR A 37 78.993 -5.991 -5.961 1.00 0.00 H new ATOM 540 N GLN A 38 80.204 -6.450 0.305 1.00 0.00 N ATOM 541 CA GLN A 38 81.539 -6.842 -0.134 1.00 0.00 C ATOM 542 C GLN A 38 81.427 -8.174 -0.865 1.00 0.00 C ATOM 543 O GLN A 38 80.641 -9.035 -0.471 1.00 0.00 O ATOM 544 CB GLN A 38 82.442 -6.985 1.101 1.00 0.00 C ATOM 545 CG GLN A 38 83.404 -5.800 1.245 1.00 0.00 C ATOM 546 CD GLN A 38 84.692 -6.063 0.472 1.00 0.00 C ATOM 547 OE1 GLN A 38 84.745 -5.864 -0.741 1.00 0.00 O ATOM 548 NE2 GLN A 38 85.741 -6.505 1.109 1.00 0.00 N ATOM 0 H GLN A 38 79.763 -7.107 0.948 1.00 0.00 H new ATOM 0 HA GLN A 38 81.968 -6.095 -0.802 1.00 0.00 H new ATOM 0 HB2 GLN A 38 81.824 -7.062 1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 38 83.014 -7.910 1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.929 -4.891 0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.632 -5.634 2.298 1.00 0.00 H new ATOM 0 HE21 GLN A 38 85.695 -6.669 2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 38 86.607 -6.686 0.601 1.00 0.00 H new ATOM 557 N GLN A 39 82.275 -8.370 -1.873 1.00 0.00 N ATOM 558 CA GLN A 39 82.234 -9.612 -2.641 1.00 0.00 C ATOM 559 C GLN A 39 83.520 -10.398 -2.414 1.00 0.00 C ATOM 560 O GLN A 39 84.519 -10.175 -3.097 1.00 0.00 O ATOM 561 CB GLN A 39 82.085 -9.302 -4.134 1.00 0.00 C ATOM 562 CG GLN A 39 81.553 -10.535 -4.868 1.00 0.00 C ATOM 563 CD GLN A 39 81.408 -10.245 -6.358 1.00 0.00 C ATOM 564 OE1 GLN A 39 80.373 -9.740 -6.794 1.00 0.00 O ATOM 565 NE2 GLN A 39 82.391 -10.530 -7.167 1.00 0.00 N ATOM 0 H GLN A 39 82.984 -7.701 -2.172 1.00 0.00 H new ATOM 0 HA GLN A 39 81.380 -10.204 -2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 39 81.405 -8.462 -4.274 1.00 0.00 H new ATOM 0 HB3 GLN A 39 83.047 -9.006 -4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 39 82.231 -11.375 -4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 39 80.588 -10.826 -4.452 1.00 0.00 H new ATOM 0 HE21 GLN A 39 83.247 -10.948 -6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 39 82.304 -10.335 -8.164 1.00 0.00 H new ATOM 574 N ARG A 40 83.460 -11.368 -1.506 1.00 0.00 N ATOM 575 CA ARG A 40 84.629 -12.175 -1.174 1.00 0.00 C ATOM 576 C ARG A 40 84.655 -13.446 -2.022 1.00 0.00 C ATOM 577 O ARG A 40 83.687 -14.205 -1.999 1.00 0.00 O ATOM 578 CB ARG A 40 84.606 -12.529 0.316 1.00 0.00 C ATOM 579 CG ARG A 40 86.017 -12.840 0.827 1.00 0.00 C ATOM 580 CD ARG A 40 86.007 -12.924 2.358 1.00 0.00 C ATOM 581 NE ARG A 40 84.657 -13.170 2.849 1.00 0.00 N ATOM 582 CZ ARG A 40 84.441 -13.629 4.077 1.00 0.00 C ATOM 583 NH1 ARG A 40 85.329 -13.435 5.012 1.00 0.00 N ATOM 584 NH2 ARG A 40 83.340 -14.278 4.340 1.00 0.00 N ATOM 0 H ARG A 40 82.616 -11.614 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 40 85.530 -11.600 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 40 84.184 -11.700 0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 40 83.958 -13.390 0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 40 86.368 -13.781 0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 40 86.711 -12.066 0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 40 86.671 -13.723 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 40 86.390 -11.995 2.781 1.00 0.00 H new ATOM 0 HE ARG A 40 83.862 -12.986 2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 40 86.190 -12.931 4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 40 85.163 -13.788 5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 40 82.650 -14.431 3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 40 83.169 -14.632 5.281 1.00 0.00 H new ATOM 598 N PRO A 41 85.686 -13.704 -2.785 1.00 0.00 N ATOM 599 CA PRO A 41 85.719 -14.921 -3.644 1.00 0.00 C ATOM 600 C PRO A 41 85.516 -16.181 -2.807 1.00 0.00 C ATOM 601 O PRO A 41 86.186 -16.375 -1.793 1.00 0.00 O ATOM 602 CB PRO A 41 87.096 -14.911 -4.323 1.00 0.00 C ATOM 603 CG PRO A 41 87.828 -13.691 -3.855 1.00 0.00 C ATOM 604 CD PRO A 41 86.911 -12.896 -2.920 1.00 0.00 C ATOM 0 HA PRO A 41 84.917 -14.919 -4.382 1.00 0.00 H new ATOM 0 HB2 PRO A 41 87.654 -15.812 -4.069 1.00 0.00 H new ATOM 0 HB3 PRO A 41 86.987 -14.899 -5.407 1.00 0.00 H new ATOM 0 HG2 PRO A 41 88.743 -13.976 -3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 41 88.123 -13.078 -4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.383 -12.735 -1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 41 86.688 -11.912 -3.333 1.00 0.00 H new ATOM 612 N GLY A 42 84.675 -17.087 -3.298 1.00 0.00 N ATOM 613 CA GLY A 42 84.436 -18.352 -2.611 1.00 0.00 C ATOM 614 C GLY A 42 83.336 -18.215 -1.563 1.00 0.00 C ATOM 615 O GLY A 42 82.921 -19.202 -0.956 1.00 0.00 O ATOM 0 H GLY A 42 84.150 -16.970 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 42 84.156 -19.115 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 42 85.356 -18.688 -2.133 1.00 0.00 H new ATOM 619 N SER A 43 82.844 -16.993 -1.373 1.00 0.00 N ATOM 620 CA SER A 43 81.780 -16.735 -0.407 1.00 0.00 C ATOM 621 C SER A 43 80.747 -15.783 -1.000 1.00 0.00 C ATOM 622 O SER A 43 81.094 -14.861 -1.738 1.00 0.00 O ATOM 623 CB SER A 43 82.372 -16.143 0.875 1.00 0.00 C ATOM 624 OG SER A 43 81.577 -16.535 1.984 1.00 0.00 O ATOM 0 H SER A 43 83.166 -16.166 -1.876 1.00 0.00 H new ATOM 0 HA SER A 43 81.286 -17.676 -0.166 1.00 0.00 H new ATOM 0 HB2 SER A 43 83.398 -16.487 1.008 1.00 0.00 H new ATOM 0 HB3 SER A 43 82.407 -15.056 0.805 1.00 0.00 H new ATOM 0 HG SER A 43 81.955 -16.159 2.806 1.00 0.00 H new ATOM 630 N SER A 44 79.492 -15.954 -0.599 1.00 0.00 N ATOM 631 CA SER A 44 78.423 -15.113 -1.121 1.00 0.00 C ATOM 632 C SER A 44 78.588 -13.686 -0.605 1.00 0.00 C ATOM 633 O SER A 44 79.049 -13.491 0.519 1.00 0.00 O ATOM 634 CB SER A 44 77.062 -15.668 -0.691 1.00 0.00 C ATOM 635 OG SER A 44 76.617 -14.999 0.480 1.00 0.00 O ATOM 0 H SER A 44 79.193 -16.657 0.077 1.00 0.00 H new ATOM 0 HA SER A 44 78.475 -15.108 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.336 -15.537 -1.493 1.00 0.00 H new ATOM 0 HB3 SER A 44 77.139 -16.739 -0.502 1.00 0.00 H new ATOM 0 HG SER A 44 75.745 -15.357 0.750 1.00 0.00 H new ATOM 641 N PRO A 45 78.120 -12.702 -1.326 1.00 0.00 N ATOM 642 CA PRO A 45 78.263 -11.281 -0.902 1.00 0.00 C ATOM 643 C PRO A 45 77.577 -11.048 0.441 1.00 0.00 C ATOM 644 O PRO A 45 76.513 -11.609 0.705 1.00 0.00 O ATOM 645 CB PRO A 45 77.612 -10.457 -2.022 1.00 0.00 C ATOM 646 CG PRO A 45 77.083 -11.421 -3.038 1.00 0.00 C ATOM 647 CD PRO A 45 77.639 -12.810 -2.713 1.00 0.00 C ATOM 0 HA PRO A 45 79.305 -10.997 -0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.807 -9.838 -1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 45 78.339 -9.783 -2.475 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.993 -11.434 -3.019 1.00 0.00 H new ATOM 0 HG3 PRO A 45 77.381 -11.117 -4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 45 76.870 -13.577 -2.807 1.00 0.00 H new ATOM 0 HD3 PRO A 45 78.446 -13.083 -3.393 1.00 0.00 H new ATOM 655 N THR A 46 78.162 -10.187 1.269 1.00 0.00 N ATOM 656 CA THR A 46 77.594 -9.872 2.576 1.00 0.00 C ATOM 657 C THR A 46 77.474 -8.363 2.761 1.00 0.00 C ATOM 658 O THR A 46 78.379 -7.609 2.406 1.00 0.00 O ATOM 659 CB THR A 46 78.475 -10.452 3.684 1.00 0.00 C ATOM 660 OG1 THR A 46 78.005 -9.995 4.944 1.00 0.00 O ATOM 661 CG2 THR A 46 79.924 -10.001 3.489 1.00 0.00 C ATOM 0 H THR A 46 79.030 -9.695 1.058 1.00 0.00 H new ATOM 0 HA THR A 46 76.599 -10.315 2.632 1.00 0.00 H new ATOM 0 HB THR A 46 78.431 -11.540 3.645 1.00 0.00 H new ATOM 0 HG1 THR A 46 78.566 -10.366 5.657 1.00 0.00 H new ATOM 0 HG21 THR A 46 80.545 -10.418 4.282 1.00 0.00 H new ATOM 0 HG22 THR A 46 80.287 -10.350 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 46 79.974 -8.913 3.524 1.00 0.00 H new ATOM 669 N THR A 47 76.294 -7.922 3.183 1.00 0.00 N ATOM 670 CA THR A 47 76.069 -6.501 3.418 1.00 0.00 C ATOM 671 C THR A 47 77.081 -5.974 4.431 1.00 0.00 C ATOM 672 O THR A 47 77.050 -6.356 5.601 1.00 0.00 O ATOM 673 CB THR A 47 74.635 -6.282 3.916 1.00 0.00 C ATOM 674 OG1 THR A 47 74.204 -7.436 4.621 1.00 0.00 O ATOM 675 CG2 THR A 47 73.694 -6.040 2.732 1.00 0.00 C ATOM 0 H THR A 47 75.488 -8.519 3.367 1.00 0.00 H new ATOM 0 HA THR A 47 76.201 -5.953 2.485 1.00 0.00 H new ATOM 0 HB THR A 47 74.617 -5.412 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.374 -7.235 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 47 72.679 -5.886 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.019 -5.156 2.183 1.00 0.00 H new ATOM 0 HG23 THR A 47 73.713 -6.905 2.070 1.00 0.00 H new ATOM 683 N VAL A 48 77.818 -4.941 4.035 1.00 0.00 N ATOM 684 CA VAL A 48 78.791 -4.335 4.939 1.00 0.00 C ATOM 685 C VAL A 48 78.111 -3.308 5.840 1.00 0.00 C ATOM 686 O VAL A 48 78.357 -3.282 7.046 1.00 0.00 O ATOM 687 CB VAL A 48 79.912 -3.666 4.137 1.00 0.00 C ATOM 688 CG1 VAL A 48 81.020 -3.220 5.096 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.480 -4.625 3.079 1.00 0.00 C ATOM 0 H VAL A 48 77.763 -4.512 3.111 1.00 0.00 H new ATOM 0 HA VAL A 48 79.221 -5.119 5.563 1.00 0.00 H new ATOM 0 HB VAL A 48 79.505 -2.799 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.821 -2.743 4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.613 -2.511 5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 48 81.416 -4.088 5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.274 -4.125 2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.883 -5.511 3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.687 -4.920 2.392 1.00 0.00 H new ATOM 699 N ILE A 49 77.187 -2.534 5.278 1.00 0.00 N ATOM 700 CA ILE A 49 76.454 -1.537 6.052 1.00 0.00 C ATOM 701 C ILE A 49 75.018 -1.440 5.549 1.00 0.00 C ATOM 702 O ILE A 49 74.726 -1.748 4.393 1.00 0.00 O ATOM 703 CB ILE A 49 77.161 -0.180 5.954 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.572 -0.319 6.544 1.00 0.00 C ATOM 705 CG2 ILE A 49 76.347 0.900 6.680 1.00 0.00 C ATOM 706 CD1 ILE A 49 79.136 1.036 6.976 1.00 0.00 C ATOM 0 H ILE A 49 76.929 -2.578 4.292 1.00 0.00 H new ATOM 0 HA ILE A 49 76.430 -1.838 7.099 1.00 0.00 H new ATOM 0 HB ILE A 49 77.243 0.128 4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 49 78.544 -0.992 7.401 1.00 0.00 H new ATOM 0 HG13 ILE A 49 79.234 -0.771 5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.862 1.858 6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.360 0.980 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 49 76.240 0.630 7.731 1.00 0.00 H new ATOM 0 HD11 ILE A 49 80.136 0.899 7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.187 1.700 6.113 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.487 1.475 7.734 1.00 0.00 H new ATOM 718 N TYR A 50 74.131 -0.995 6.435 1.00 0.00 N ATOM 719 CA TYR A 50 72.718 -0.835 6.099 1.00 0.00 C ATOM 720 C TYR A 50 72.339 0.642 6.046 1.00 0.00 C ATOM 721 O TYR A 50 72.796 1.443 6.862 1.00 0.00 O ATOM 722 CB TYR A 50 71.850 -1.560 7.132 1.00 0.00 C ATOM 723 CG TYR A 50 71.832 -3.043 6.845 1.00 0.00 C ATOM 724 CD1 TYR A 50 72.915 -3.847 7.220 1.00 0.00 C ATOM 725 CD2 TYR A 50 70.754 -3.604 6.149 1.00 0.00 C ATOM 726 CE1 TYR A 50 72.897 -5.219 6.942 1.00 0.00 C ATOM 727 CE2 TYR A 50 70.748 -4.970 5.847 1.00 0.00 C ATOM 728 CZ TYR A 50 71.799 -5.785 6.283 1.00 0.00 C ATOM 729 OH TYR A 50 71.779 -7.138 6.011 1.00 0.00 O ATOM 0 H TYR A 50 74.366 -0.738 7.394 1.00 0.00 H new ATOM 0 HA TYR A 50 72.546 -1.271 5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.238 -1.380 8.135 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.835 -1.164 7.107 1.00 0.00 H new ATOM 0 HD1 TYR A 50 73.764 -3.409 7.724 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.926 -2.981 5.845 1.00 0.00 H new ATOM 0 HE1 TYR A 50 73.730 -5.841 7.236 1.00 0.00 H new ATOM 0 HE2 TYR A 50 69.934 -5.395 5.279 1.00 0.00 H new ATOM 0 HH TYR A 50 70.945 -7.367 5.550 1.00 0.00 H new ATOM 739 N GLU A 51 71.468 0.983 5.101 1.00 0.00 N ATOM 740 CA GLU A 51 70.994 2.354 4.955 1.00 0.00 C ATOM 741 C GLU A 51 72.150 3.340 5.074 1.00 0.00 C ATOM 742 O GLU A 51 71.952 4.517 5.375 1.00 0.00 O ATOM 743 CB GLU A 51 69.938 2.674 6.015 1.00 0.00 C ATOM 744 CG GLU A 51 68.753 1.709 5.885 1.00 0.00 C ATOM 745 CD GLU A 51 67.469 2.360 6.389 1.00 0.00 C ATOM 746 OE1 GLU A 51 67.548 3.133 7.330 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.437 2.130 5.780 1.00 0.00 O ATOM 0 H GLU A 51 71.076 0.328 4.425 1.00 0.00 H new ATOM 0 HA GLU A 51 70.547 2.450 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 51 70.375 2.594 7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.595 3.702 5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 51 68.632 1.413 4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.953 0.801 6.453 1.00 0.00 H new ATOM 754 N ASP A 52 73.356 2.850 4.812 1.00 0.00 N ATOM 755 CA ASP A 52 74.547 3.689 4.865 1.00 0.00 C ATOM 756 C ASP A 52 74.608 4.471 6.172 1.00 0.00 C ATOM 757 O ASP A 52 75.324 5.466 6.279 1.00 0.00 O ATOM 758 CB ASP A 52 74.559 4.670 3.692 1.00 0.00 C ATOM 759 CG ASP A 52 75.838 5.500 3.723 1.00 0.00 C ATOM 760 OD1 ASP A 52 76.875 4.952 3.391 1.00 0.00 O ATOM 761 OD2 ASP A 52 75.794 6.593 4.262 1.00 0.00 O ATOM 0 H ASP A 52 73.535 1.878 4.561 1.00 0.00 H new ATOM 0 HA ASP A 52 75.416 3.034 4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.491 4.125 2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.689 5.324 3.745 1.00 0.00 H new ATOM 766 N ASN A 53 73.876 4.004 7.178 1.00 0.00 N ATOM 767 CA ASN A 53 73.835 4.675 8.472 1.00 0.00 C ATOM 768 C ASN A 53 74.507 3.819 9.541 1.00 0.00 C ATOM 769 O ASN A 53 75.165 4.341 10.442 1.00 0.00 O ATOM 770 CB ASN A 53 72.380 4.950 8.858 1.00 0.00 C ATOM 771 CG ASN A 53 71.748 5.889 7.835 1.00 0.00 C ATOM 772 OD1 ASN A 53 70.689 5.588 7.286 1.00 0.00 O ATOM 773 ND2 ASN A 53 72.349 7.007 7.525 1.00 0.00 N ATOM 0 H ASN A 53 73.302 3.162 7.122 1.00 0.00 H new ATOM 0 HA ASN A 53 74.376 5.619 8.398 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.822 4.015 8.902 1.00 0.00 H new ATOM 0 HB3 ASN A 53 72.335 5.395 9.852 1.00 0.00 H new ATOM 0 HD21 ASN A 53 71.940 7.630 6.828 1.00 0.00 H new ATOM 0 HD22 ASN A 53 73.227 7.257 7.980 1.00 0.00 H new ATOM 780 N GLN A 54 74.372 2.502 9.414 1.00 0.00 N ATOM 781 CA GLN A 54 74.953 1.579 10.381 1.00 0.00 C ATOM 782 C GLN A 54 74.611 0.143 9.997 1.00 0.00 C ATOM 783 O GLN A 54 74.034 -0.101 8.937 1.00 0.00 O ATOM 784 CB GLN A 54 74.421 1.886 11.783 1.00 0.00 C ATOM 785 CG GLN A 54 72.916 2.155 11.721 1.00 0.00 C ATOM 786 CD GLN A 54 72.310 2.021 13.113 1.00 0.00 C ATOM 787 OE1 GLN A 54 71.647 2.936 13.602 1.00 0.00 O ATOM 788 NE2 GLN A 54 72.515 0.921 13.784 1.00 0.00 N ATOM 0 H GLN A 54 73.866 2.051 8.652 1.00 0.00 H new ATOM 0 HA GLN A 54 76.036 1.699 10.380 1.00 0.00 H new ATOM 0 HB2 GLN A 54 74.622 1.047 12.450 1.00 0.00 H new ATOM 0 HB3 GLN A 54 74.938 2.753 12.196 1.00 0.00 H new ATOM 0 HG2 GLN A 54 72.732 3.155 11.329 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.439 1.452 11.038 1.00 0.00 H new ATOM 0 HE21 GLN A 54 73.065 0.167 13.372 1.00 0.00 H new ATOM 0 HE22 GLN A 54 72.125 0.815 14.720 1.00 0.00 H new ATOM 797 N ARG A 55 74.940 -0.800 10.876 1.00 0.00 N ATOM 798 CA ARG A 55 74.682 -2.214 10.619 1.00 0.00 C ATOM 799 C ARG A 55 74.063 -2.866 11.853 1.00 0.00 C ATOM 800 O ARG A 55 74.273 -2.387 12.968 1.00 0.00 O ATOM 801 CB ARG A 55 76.001 -2.900 10.250 1.00 0.00 C ATOM 802 CG ARG A 55 76.997 -2.808 11.408 1.00 0.00 C ATOM 803 CD ARG A 55 78.298 -3.530 11.032 1.00 0.00 C ATOM 804 NE ARG A 55 78.384 -3.759 9.592 1.00 0.00 N ATOM 805 CZ ARG A 55 78.965 -4.844 9.088 1.00 0.00 C ATOM 806 NH1 ARG A 55 80.246 -5.029 9.248 1.00 0.00 N ATOM 807 NH2 ARG A 55 78.261 -5.709 8.411 1.00 0.00 N ATOM 0 H ARG A 55 75.386 -0.610 11.773 1.00 0.00 H new ATOM 0 HA ARG A 55 73.979 -2.318 9.793 1.00 0.00 H new ATOM 0 HB2 ARG A 55 75.817 -3.946 10.003 1.00 0.00 H new ATOM 0 HB3 ARG A 55 76.424 -2.433 9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 55 77.204 -1.763 11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.568 -3.255 12.305 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.152 -2.937 11.359 1.00 0.00 H new ATOM 0 HD3 ARG A 55 78.352 -4.484 11.557 1.00 0.00 H new ATOM 0 HE ARG A 55 77.988 -3.068 8.955 1.00 0.00 H new ATOM 0 HH11 ARG A 55 80.801 -4.342 9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 55 80.693 -5.861 8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 55 77.263 -5.554 8.267 1.00 0.00 H new ATOM 0 HH22 ARG A 55 78.708 -6.540 8.025 1.00 0.00 H new ATOM 821 N PRO A 56 73.383 -3.974 11.712 1.00 0.00 N ATOM 822 CA PRO A 56 72.714 -4.638 12.866 1.00 0.00 C ATOM 823 C PRO A 56 73.685 -4.874 14.019 1.00 0.00 C ATOM 824 O PRO A 56 74.892 -4.686 13.871 1.00 0.00 O ATOM 825 CB PRO A 56 72.185 -5.962 12.297 1.00 0.00 C ATOM 826 CG PRO A 56 72.676 -6.036 10.887 1.00 0.00 C ATOM 827 CD PRO A 56 72.943 -4.595 10.451 1.00 0.00 C ATOM 0 HA PRO A 56 71.917 -4.023 13.285 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.547 -6.809 12.880 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.096 -5.993 12.332 1.00 0.00 H new ATOM 0 HG2 PRO A 56 73.583 -6.637 10.822 1.00 0.00 H new ATOM 0 HG3 PRO A 56 71.935 -6.507 10.241 1.00 0.00 H new ATOM 0 HD2 PRO A 56 73.709 -4.537 9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 56 72.049 -4.117 10.050 1.00 0.00 H new ATOM 835 N SER A 57 73.135 -5.136 15.199 1.00 0.00 N ATOM 836 CA SER A 57 73.969 -5.460 16.350 1.00 0.00 C ATOM 837 C SER A 57 74.579 -6.850 16.201 1.00 0.00 C ATOM 838 O SER A 57 73.892 -7.806 15.840 1.00 0.00 O ATOM 839 CB SER A 57 73.145 -5.364 17.636 1.00 0.00 C ATOM 840 OG SER A 57 73.178 -4.026 18.109 1.00 0.00 O ATOM 0 H SER A 57 72.132 -5.131 15.383 1.00 0.00 H new ATOM 0 HA SER A 57 74.786 -4.740 16.404 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.116 -5.671 17.447 1.00 0.00 H new ATOM 0 HB3 SER A 57 73.546 -6.040 18.391 1.00 0.00 H new ATOM 0 HG SER A 57 72.650 -3.957 18.932 1.00 0.00 H new ATOM 846 N GLY A 58 75.818 -6.987 16.664 1.00 0.00 N ATOM 847 CA GLY A 58 76.492 -8.280 16.674 1.00 0.00 C ATOM 848 C GLY A 58 77.559 -8.344 15.587 1.00 0.00 C ATOM 849 O GLY A 58 78.645 -8.880 15.811 1.00 0.00 O ATOM 0 H GLY A 58 76.375 -6.218 17.037 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.949 -8.449 17.649 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.763 -9.076 16.522 1.00 0.00 H new ATOM 853 N VAL A 59 77.278 -7.756 14.428 1.00 0.00 N ATOM 854 CA VAL A 59 78.239 -7.790 13.332 1.00 0.00 C ATOM 855 C VAL A 59 79.384 -6.819 13.615 1.00 0.00 C ATOM 856 O VAL A 59 79.154 -5.750 14.180 1.00 0.00 O ATOM 857 CB VAL A 59 77.541 -7.431 12.013 1.00 0.00 C ATOM 858 CG1 VAL A 59 76.921 -8.682 11.380 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.445 -6.399 12.286 1.00 0.00 C ATOM 0 H VAL A 59 76.410 -7.260 14.226 1.00 0.00 H new ATOM 0 HA VAL A 59 78.650 -8.796 13.245 1.00 0.00 H new ATOM 0 HB VAL A 59 78.276 -7.017 11.323 1.00 0.00 H new ATOM 0 HG11 VAL A 59 76.430 -8.411 10.445 1.00 0.00 H new ATOM 0 HG12 VAL A 59 77.703 -9.414 11.180 1.00 0.00 H new ATOM 0 HG13 VAL A 59 76.189 -9.111 12.064 1.00 0.00 H new ATOM 0 HG21 VAL A 59 75.947 -6.141 11.351 1.00 0.00 H new ATOM 0 HG22 VAL A 59 75.717 -6.816 12.982 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.889 -5.503 12.719 1.00 0.00 H new ATOM 869 N PRO A 60 80.565 -7.080 13.117 1.00 0.00 N ATOM 870 CA PRO A 60 81.743 -6.209 13.393 1.00 0.00 C ATOM 871 C PRO A 60 81.491 -4.789 12.897 1.00 0.00 C ATOM 872 O PRO A 60 80.605 -4.574 12.072 1.00 0.00 O ATOM 873 CB PRO A 60 82.913 -6.863 12.643 1.00 0.00 C ATOM 874 CG PRO A 60 82.366 -8.052 11.916 1.00 0.00 C ATOM 875 CD PRO A 60 80.970 -8.340 12.473 1.00 0.00 C ATOM 0 HA PRO A 60 81.950 -6.125 14.460 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.363 -6.158 11.944 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.695 -7.165 13.339 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.317 -7.855 10.845 1.00 0.00 H new ATOM 0 HG3 PRO A 60 83.017 -8.916 12.052 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.277 -8.622 11.681 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.989 -9.163 13.187 1.00 0.00 H new ATOM 883 N ASP A 61 82.219 -3.821 13.447 1.00 0.00 N ATOM 884 CA ASP A 61 82.059 -2.423 13.055 1.00 0.00 C ATOM 885 C ASP A 61 83.300 -1.919 12.324 1.00 0.00 C ATOM 886 O ASP A 61 83.615 -0.730 12.370 1.00 0.00 O ATOM 887 CB ASP A 61 81.797 -1.565 14.296 1.00 0.00 C ATOM 888 CG ASP A 61 81.076 -0.276 13.913 1.00 0.00 C ATOM 889 OD1 ASP A 61 81.574 0.417 13.040 1.00 0.00 O ATOM 890 OD2 ASP A 61 79.977 -0.070 14.400 1.00 0.00 O ATOM 0 H ASP A 61 82.926 -3.979 14.166 1.00 0.00 H new ATOM 0 HA ASP A 61 81.209 -2.348 12.377 1.00 0.00 H new ATOM 0 HB2 ASP A 61 81.196 -2.125 15.012 1.00 0.00 H new ATOM 0 HB3 ASP A 61 82.741 -1.328 14.787 1.00 0.00 H new ATOM 895 N ARG A 62 84.024 -2.830 11.683 1.00 0.00 N ATOM 896 CA ARG A 62 85.255 -2.458 10.998 1.00 0.00 C ATOM 897 C ARG A 62 84.957 -1.494 9.855 1.00 0.00 C ATOM 898 O ARG A 62 85.873 -0.936 9.252 1.00 0.00 O ATOM 899 CB ARG A 62 85.938 -3.706 10.436 1.00 0.00 C ATOM 900 CG ARG A 62 86.318 -4.649 11.579 1.00 0.00 C ATOM 901 CD ARG A 62 86.810 -5.975 10.994 1.00 0.00 C ATOM 902 NE ARG A 62 87.847 -5.736 9.996 1.00 0.00 N ATOM 903 CZ ARG A 62 87.956 -6.494 8.909 1.00 0.00 C ATOM 904 NH1 ARG A 62 87.269 -6.198 7.839 1.00 0.00 N ATOM 905 NH2 ARG A 62 88.716 -7.555 8.924 1.00 0.00 N ATOM 0 H ARG A 62 83.783 -3.819 11.624 1.00 0.00 H new ATOM 0 HA ARG A 62 85.914 -1.971 11.716 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.271 -4.214 9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.829 -3.423 9.875 1.00 0.00 H new ATOM 0 HG2 ARG A 62 87.096 -4.198 12.195 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.458 -4.820 12.227 1.00 0.00 H new ATOM 0 HD2 ARG A 62 87.201 -6.608 11.790 1.00 0.00 H new ATOM 0 HD3 ARG A 62 85.977 -6.512 10.541 1.00 0.00 H new ATOM 0 HE ARG A 62 88.504 -4.969 10.136 1.00 0.00 H new ATOM 0 HH11 ARG A 62 86.651 -5.387 7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 62 87.351 -6.778 7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 62 89.228 -7.804 9.771 1.00 0.00 H new ATOM 0 HH22 ARG A 62 88.798 -8.135 8.089 1.00 0.00 H new ATOM 919 N PHE A 63 83.679 -1.364 9.512 1.00 0.00 N ATOM 920 CA PHE A 63 83.250 -0.478 8.433 1.00 0.00 C ATOM 921 C PHE A 63 82.262 0.549 8.973 1.00 0.00 C ATOM 922 O PHE A 63 81.382 0.204 9.762 1.00 0.00 O ATOM 923 CB PHE A 63 82.602 -1.295 7.312 1.00 0.00 C ATOM 924 CG PHE A 63 83.238 -2.663 7.242 1.00 0.00 C ATOM 925 CD1 PHE A 63 82.878 -3.642 8.175 1.00 0.00 C ATOM 926 CD2 PHE A 63 84.189 -2.952 6.255 1.00 0.00 C ATOM 927 CE1 PHE A 63 83.418 -4.930 8.081 1.00 0.00 C ATOM 928 CE2 PHE A 63 84.778 -4.221 6.202 1.00 0.00 C ATOM 929 CZ PHE A 63 84.405 -5.205 7.127 1.00 0.00 C ATOM 0 H PHE A 63 82.917 -1.865 9.969 1.00 0.00 H new ATOM 0 HA PHE A 63 84.119 0.043 8.030 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.531 -1.391 7.492 1.00 0.00 H new ATOM 0 HB3 PHE A 63 82.721 -0.780 6.359 1.00 0.00 H new ATOM 0 HD1 PHE A 63 82.184 -3.404 8.967 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.468 -2.196 5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 63 83.074 -5.710 8.743 1.00 0.00 H new ATOM 0 HE2 PHE A 63 85.520 -4.441 5.448 1.00 0.00 H new ATOM 0 HZ PHE A 63 84.879 -6.175 7.104 1.00 0.00 H new ATOM 939 N SER A 64 82.305 1.764 8.431 1.00 0.00 N ATOM 940 CA SER A 64 81.311 2.770 8.806 1.00 0.00 C ATOM 941 C SER A 64 80.872 3.558 7.579 1.00 0.00 C ATOM 942 O SER A 64 81.720 4.084 6.863 1.00 0.00 O ATOM 943 CB SER A 64 81.886 3.728 9.855 1.00 0.00 C ATOM 944 OG SER A 64 81.404 5.045 9.630 1.00 0.00 O ATOM 0 H SER A 64 82.997 2.072 7.748 1.00 0.00 H new ATOM 0 HA SER A 64 80.448 2.258 9.231 1.00 0.00 H new ATOM 0 HB2 SER A 64 81.606 3.396 10.855 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.975 3.718 9.809 1.00 0.00 H new ATOM 0 HG SER A 64 81.776 5.649 10.306 1.00 0.00 H new ATOM 950 N GLY A 65 79.562 3.695 7.387 1.00 0.00 N ATOM 951 CA GLY A 65 79.032 4.436 6.248 1.00 0.00 C ATOM 952 C GLY A 65 78.731 5.881 6.633 1.00 0.00 C ATOM 953 O GLY A 65 78.182 6.143 7.703 1.00 0.00 O ATOM 0 H GLY A 65 78.851 3.303 8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.751 4.416 5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.123 3.955 5.886 1.00 0.00 H new ATOM 957 N SER A 66 78.988 6.803 5.710 1.00 0.00 N ATOM 958 CA SER A 66 78.712 8.217 5.944 1.00 0.00 C ATOM 959 C SER A 66 78.210 8.876 4.663 1.00 0.00 C ATOM 960 O SER A 66 78.716 8.601 3.575 1.00 0.00 O ATOM 961 CB SER A 66 79.983 8.906 6.450 1.00 0.00 C ATOM 962 OG SER A 66 79.632 9.880 7.423 1.00 0.00 O ATOM 0 H SER A 66 79.387 6.597 4.794 1.00 0.00 H new ATOM 0 HA SER A 66 77.933 8.315 6.700 1.00 0.00 H new ATOM 0 HB2 SER A 66 80.662 8.171 6.883 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.510 9.377 5.620 1.00 0.00 H new ATOM 0 HG SER A 66 80.443 10.322 7.751 1.00 0.00 H new ATOM 968 N ILE A 67 77.227 9.761 4.803 1.00 0.00 N ATOM 969 CA ILE A 67 76.643 10.458 3.661 1.00 0.00 C ATOM 970 C ILE A 67 76.922 11.954 3.740 1.00 0.00 C ATOM 971 O ILE A 67 76.995 12.541 4.819 1.00 0.00 O ATOM 972 CB ILE A 67 75.132 10.204 3.592 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.568 10.272 5.013 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.821 8.846 2.942 1.00 0.00 C ATOM 975 CD1 ILE A 67 73.049 10.089 4.978 1.00 0.00 C ATOM 0 H ILE A 67 76.816 10.014 5.702 1.00 0.00 H new ATOM 0 HA ILE A 67 77.105 10.069 2.754 1.00 0.00 H new ATOM 0 HB ILE A 67 74.663 10.966 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 67 75.022 9.498 5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 67 74.817 11.231 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.742 8.697 2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.221 8.828 1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.279 8.049 3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 67 72.653 10.138 5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 67 72.601 10.879 4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 67 72.809 9.119 4.542 1.00 0.00 H new ATOM 987 N ASP A 68 77.179 12.528 2.570 1.00 0.00 N ATOM 988 CA ASP A 68 77.489 13.947 2.443 1.00 0.00 C ATOM 989 C ASP A 68 76.435 14.631 1.580 1.00 0.00 C ATOM 990 O ASP A 68 76.648 14.849 0.389 1.00 0.00 O ATOM 991 CB ASP A 68 78.863 14.107 1.788 1.00 0.00 C ATOM 992 CG ASP A 68 79.958 13.766 2.793 1.00 0.00 C ATOM 993 OD1 ASP A 68 79.649 13.114 3.777 1.00 0.00 O ATOM 994 OD2 ASP A 68 81.078 14.207 2.592 1.00 0.00 O ATOM 0 H ASP A 68 77.178 12.023 1.684 1.00 0.00 H new ATOM 0 HA ASP A 68 77.496 14.405 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.939 13.455 0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.989 15.129 1.432 1.00 0.00 H new ATOM 999 N SER A 69 75.293 14.949 2.180 1.00 0.00 N ATOM 1000 CA SER A 69 74.226 15.618 1.445 1.00 0.00 C ATOM 1001 C SER A 69 74.779 16.850 0.734 1.00 0.00 C ATOM 1002 O SER A 69 74.268 17.264 -0.305 1.00 0.00 O ATOM 1003 CB SER A 69 73.107 16.017 2.410 1.00 0.00 C ATOM 1004 OG SER A 69 72.977 15.016 3.408 1.00 0.00 O ATOM 0 H SER A 69 75.084 14.758 3.160 1.00 0.00 H new ATOM 0 HA SER A 69 73.820 14.937 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 69 73.332 16.979 2.870 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.168 16.134 1.869 1.00 0.00 H new ATOM 0 HG SER A 69 72.263 15.266 4.031 1.00 0.00 H new ATOM 1010 N SER A 70 75.795 17.458 1.337 1.00 0.00 N ATOM 1011 CA SER A 70 76.408 18.652 0.771 1.00 0.00 C ATOM 1012 C SER A 70 77.202 18.310 -0.485 1.00 0.00 C ATOM 1013 O SER A 70 77.020 18.923 -1.536 1.00 0.00 O ATOM 1014 CB SER A 70 77.359 19.253 1.806 1.00 0.00 C ATOM 1015 OG SER A 70 76.731 19.255 3.080 1.00 0.00 O ATOM 0 H SER A 70 76.210 17.144 2.215 1.00 0.00 H new ATOM 0 HA SER A 70 75.622 19.360 0.508 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.283 18.676 1.845 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.630 20.269 1.520 1.00 0.00 H new ATOM 0 HG SER A 70 77.341 19.639 3.745 1.00 0.00 H new ATOM 1021 N SER A 71 78.076 17.315 -0.366 1.00 0.00 N ATOM 1022 CA SER A 71 78.899 16.890 -1.491 1.00 0.00 C ATOM 1023 C SER A 71 78.123 15.907 -2.359 1.00 0.00 C ATOM 1024 O SER A 71 78.599 15.495 -3.417 1.00 0.00 O ATOM 1025 CB SER A 71 80.182 16.227 -0.984 1.00 0.00 C ATOM 1026 OG SER A 71 81.143 16.202 -2.028 1.00 0.00 O ATOM 0 H SER A 71 78.232 16.790 0.495 1.00 0.00 H new ATOM 0 HA SER A 71 79.161 17.766 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.574 16.775 -0.127 1.00 0.00 H new ATOM 0 HB3 SER A 71 79.971 15.213 -0.644 1.00 0.00 H new ATOM 0 HG SER A 71 80.706 15.950 -2.869 1.00 0.00 H new ATOM 1032 N ASN A 72 76.949 15.509 -1.883 1.00 0.00 N ATOM 1033 CA ASN A 72 76.126 14.563 -2.626 1.00 0.00 C ATOM 1034 C ASN A 72 76.875 13.256 -2.864 1.00 0.00 C ATOM 1035 O ASN A 72 76.822 12.694 -3.958 1.00 0.00 O ATOM 1036 CB ASN A 72 75.700 15.158 -3.969 1.00 0.00 C ATOM 1037 CG ASN A 72 74.802 14.171 -4.707 1.00 0.00 C ATOM 1038 OD1 ASN A 72 74.475 13.112 -4.171 1.00 0.00 O ATOM 1039 ND2 ASN A 72 74.469 14.403 -5.947 1.00 0.00 N ATOM 0 H ASN A 72 76.550 15.822 -0.998 1.00 0.00 H new ATOM 0 HA ASN A 72 75.239 14.356 -2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.171 16.097 -3.810 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.579 15.386 -4.572 1.00 0.00 H new ATOM 0 HD21 ASN A 72 73.938 13.707 -6.471 1.00 0.00 H new ATOM 0 HD22 ASN A 72 74.739 15.280 -6.392 1.00 0.00 H new ATOM 1046 N SER A 73 77.648 12.820 -1.873 1.00 0.00 N ATOM 1047 CA SER A 73 78.428 11.593 -2.005 1.00 0.00 C ATOM 1048 C SER A 73 78.399 10.793 -0.707 1.00 0.00 C ATOM 1049 O SER A 73 77.918 11.272 0.320 1.00 0.00 O ATOM 1050 CB SER A 73 79.879 11.930 -2.353 1.00 0.00 C ATOM 1051 OG SER A 73 80.608 12.140 -1.152 1.00 0.00 O ATOM 0 H SER A 73 77.751 13.294 -0.976 1.00 0.00 H new ATOM 0 HA SER A 73 77.987 10.995 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.326 11.119 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.918 12.822 -2.978 1.00 0.00 H new ATOM 0 HG SER A 73 81.539 12.355 -1.368 1.00 0.00 H new ATOM 1057 N ALA A 74 78.830 9.539 -0.792 1.00 0.00 N ATOM 1058 CA ALA A 74 78.792 8.629 0.348 1.00 0.00 C ATOM 1059 C ALA A 74 80.201 8.141 0.663 1.00 0.00 C ATOM 1060 O ALA A 74 80.866 7.532 -0.175 1.00 0.00 O ATOM 1061 CB ALA A 74 77.864 7.452 0.030 1.00 0.00 C ATOM 0 H ALA A 74 79.212 9.127 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 74 78.406 9.150 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.835 6.771 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.860 7.825 -0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.236 6.921 -0.846 1.00 0.00 H new ATOM 1067 N SER A 75 80.668 8.474 1.862 1.00 0.00 N ATOM 1068 CA SER A 75 82.029 8.148 2.276 1.00 0.00 C ATOM 1069 C SER A 75 82.003 7.194 3.464 1.00 0.00 C ATOM 1070 O SER A 75 81.407 7.500 4.497 1.00 0.00 O ATOM 1071 CB SER A 75 82.783 9.418 2.673 1.00 0.00 C ATOM 1072 OG SER A 75 82.899 10.271 1.543 1.00 0.00 O ATOM 0 H SER A 75 80.122 8.971 2.566 1.00 0.00 H new ATOM 0 HA SER A 75 82.536 7.673 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.255 9.931 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.772 9.163 3.053 1.00 0.00 H new ATOM 0 HG SER A 75 83.381 11.086 1.796 1.00 0.00 H new ATOM 1078 N LEU A 76 82.612 6.024 3.297 1.00 0.00 N ATOM 1079 CA LEU A 76 82.665 5.036 4.371 1.00 0.00 C ATOM 1080 C LEU A 76 84.010 5.117 5.086 1.00 0.00 C ATOM 1081 O LEU A 76 85.046 5.311 4.453 1.00 0.00 O ATOM 1082 CB LEU A 76 82.380 3.628 3.826 1.00 0.00 C ATOM 1083 CG LEU A 76 83.201 2.539 4.532 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.576 1.164 4.271 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.670 2.569 4.082 1.00 0.00 C ATOM 0 H LEU A 76 83.073 5.737 2.434 1.00 0.00 H new ATOM 0 HA LEU A 76 81.888 5.256 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.319 3.407 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.598 3.606 2.758 1.00 0.00 H new ATOM 0 HG LEU A 76 83.185 2.735 5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 76 83.163 0.396 4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.555 1.150 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.564 0.967 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.225 1.787 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.724 2.402 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 76 85.104 3.540 4.321 1.00 0.00 H new ATOM 1097 N THR A 77 83.985 5.024 6.413 1.00 0.00 N ATOM 1098 CA THR A 77 85.214 4.982 7.198 1.00 0.00 C ATOM 1099 C THR A 77 85.455 3.585 7.761 1.00 0.00 C ATOM 1100 O THR A 77 84.709 3.102 8.609 1.00 0.00 O ATOM 1101 CB THR A 77 85.106 5.991 8.343 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.780 7.267 7.812 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.434 6.072 9.098 1.00 0.00 C ATOM 0 H THR A 77 83.129 4.976 6.966 1.00 0.00 H new ATOM 0 HA THR A 77 86.055 5.236 6.553 1.00 0.00 H new ATOM 0 HB THR A 77 84.327 5.670 9.034 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.708 7.917 8.542 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.347 6.793 9.911 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.681 5.092 9.507 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.222 6.389 8.415 1.00 0.00 H new ATOM 1111 N ILE A 78 86.549 2.953 7.349 1.00 0.00 N ATOM 1112 CA ILE A 78 86.900 1.627 7.850 1.00 0.00 C ATOM 1113 C ILE A 78 88.020 1.750 8.876 1.00 0.00 C ATOM 1114 O ILE A 78 89.007 2.446 8.639 1.00 0.00 O ATOM 1115 CB ILE A 78 87.325 0.757 6.660 1.00 0.00 C ATOM 1116 CG1 ILE A 78 86.120 0.023 6.064 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.392 -0.273 7.049 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.473 -0.628 4.723 1.00 0.00 C ATOM 0 H ILE A 78 87.207 3.336 6.671 1.00 0.00 H new ATOM 0 HA ILE A 78 86.047 1.161 8.343 1.00 0.00 H new ATOM 0 HB ILE A 78 87.751 1.433 5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.775 -0.740 6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 78 85.297 0.724 5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.661 -0.866 6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 78 89.276 0.243 7.424 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.998 -0.929 7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.597 -1.141 4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.794 0.140 4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 78 87.279 -1.347 4.869 1.00 0.00 H new ATOM 1130 N SER A 79 87.951 0.926 9.918 1.00 0.00 N ATOM 1131 CA SER A 79 88.974 0.923 10.959 1.00 0.00 C ATOM 1132 C SER A 79 89.432 -0.502 11.254 1.00 0.00 C ATOM 1133 O SER A 79 88.618 -1.420 11.351 1.00 0.00 O ATOM 1134 CB SER A 79 88.419 1.586 12.224 1.00 0.00 C ATOM 1135 OG SER A 79 88.278 0.625 13.261 1.00 0.00 O ATOM 0 H SER A 79 87.199 0.253 10.064 1.00 0.00 H new ATOM 0 HA SER A 79 89.839 1.489 10.613 1.00 0.00 H new ATOM 0 HB2 SER A 79 89.086 2.385 12.547 1.00 0.00 H new ATOM 0 HB3 SER A 79 87.454 2.044 12.009 1.00 0.00 H new ATOM 0 HG SER A 79 87.924 1.060 14.065 1.00 0.00 H new ATOM 1141 N GLY A 80 90.738 -0.664 11.440 1.00 0.00 N ATOM 1142 CA GLY A 80 91.301 -1.966 11.777 1.00 0.00 C ATOM 1143 C GLY A 80 91.008 -2.994 10.688 1.00 0.00 C ATOM 1144 O GLY A 80 90.435 -4.049 10.959 1.00 0.00 O ATOM 0 H GLY A 80 91.424 0.087 11.363 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.379 -1.875 11.914 1.00 0.00 H new ATOM 0 HA3 GLY A 80 90.887 -2.309 12.725 1.00 0.00 H new ATOM 1148 N LEU A 81 91.370 -2.668 9.450 1.00 0.00 N ATOM 1149 CA LEU A 81 91.186 -3.606 8.349 1.00 0.00 C ATOM 1150 C LEU A 81 92.174 -4.763 8.452 1.00 0.00 C ATOM 1151 O LEU A 81 93.315 -4.579 8.876 1.00 0.00 O ATOM 1152 CB LEU A 81 91.330 -2.899 6.998 1.00 0.00 C ATOM 1153 CG LEU A 81 92.767 -2.413 6.768 1.00 0.00 C ATOM 1154 CD1 LEU A 81 92.976 -1.967 5.315 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.106 -1.276 7.740 1.00 0.00 C ATOM 0 H LEU A 81 91.786 -1.775 9.187 1.00 0.00 H new ATOM 0 HA LEU A 81 90.176 -4.009 8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 81 91.043 -3.580 6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.647 -2.051 6.955 1.00 0.00 H new ATOM 0 HG LEU A 81 93.442 -3.247 6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 81 94.003 -1.628 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 81 92.781 -2.805 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 81 92.292 -1.151 5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.128 -0.941 7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 81 92.420 -0.444 7.581 1.00 0.00 H new ATOM 0 HD23 LEU A 81 93.011 -1.633 8.765 1.00 0.00 H new ATOM 1167 N LYS A 82 91.773 -5.930 7.959 1.00 0.00 N ATOM 1168 CA LYS A 82 92.665 -7.084 7.901 1.00 0.00 C ATOM 1169 C LYS A 82 92.532 -7.777 6.549 1.00 0.00 C ATOM 1170 O LYS A 82 91.669 -7.424 5.745 1.00 0.00 O ATOM 1171 CB LYS A 82 92.324 -8.062 9.030 1.00 0.00 C ATOM 1172 CG LYS A 82 91.873 -7.288 10.273 1.00 0.00 C ATOM 1173 CD LYS A 82 92.013 -8.157 11.526 1.00 0.00 C ATOM 1174 CE LYS A 82 91.103 -9.390 11.467 1.00 0.00 C ATOM 1175 NZ LYS A 82 91.947 -10.614 11.367 1.00 0.00 N ATOM 0 H LYS A 82 90.836 -6.102 7.594 1.00 0.00 H new ATOM 0 HA LYS A 82 93.694 -6.746 8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.535 -8.742 8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 82 93.194 -8.674 9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 82 92.471 -6.383 10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 82 90.836 -6.973 10.156 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.050 -8.475 11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 82 91.767 -7.566 12.408 1.00 0.00 H new ATOM 0 HE2 LYS A 82 90.476 -9.437 12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 82 90.434 -9.323 10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 91.336 -11.455 11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.527 -10.566 10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 92.567 -10.677 12.199 1.00 0.00 H new ATOM 1189 N THR A 83 93.331 -8.817 6.335 1.00 0.00 N ATOM 1190 CA THR A 83 93.277 -9.549 5.080 1.00 0.00 C ATOM 1191 C THR A 83 91.849 -9.999 4.795 1.00 0.00 C ATOM 1192 O THR A 83 91.449 -10.151 3.641 1.00 0.00 O ATOM 1193 CB THR A 83 94.205 -10.764 5.167 1.00 0.00 C ATOM 1194 OG1 THR A 83 95.322 -10.447 5.984 1.00 0.00 O ATOM 1195 CG2 THR A 83 94.702 -11.169 3.777 1.00 0.00 C ATOM 0 H THR A 83 94.015 -9.167 7.006 1.00 0.00 H new ATOM 0 HA THR A 83 93.603 -8.900 4.267 1.00 0.00 H new ATOM 0 HB THR A 83 93.646 -11.595 5.597 1.00 0.00 H new ATOM 0 HG1 THR A 83 95.916 -11.224 6.042 1.00 0.00 H new ATOM 0 HG21 THR A 83 95.360 -12.034 3.863 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.850 -11.422 3.146 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.251 -10.340 3.331 1.00 0.00 H new ATOM 1203 N GLU A 84 91.126 -10.316 5.861 1.00 0.00 N ATOM 1204 CA GLU A 84 89.744 -10.758 5.723 1.00 0.00 C ATOM 1205 C GLU A 84 88.954 -9.718 4.938 1.00 0.00 C ATOM 1206 O GLU A 84 87.820 -9.962 4.528 1.00 0.00 O ATOM 1207 CB GLU A 84 89.110 -10.938 7.103 1.00 0.00 C ATOM 1208 CG GLU A 84 90.009 -11.804 7.988 1.00 0.00 C ATOM 1209 CD GLU A 84 90.057 -13.233 7.455 1.00 0.00 C ATOM 1210 OE1 GLU A 84 89.284 -13.539 6.562 1.00 0.00 O ATOM 1211 OE2 GLU A 84 90.901 -13.985 7.914 1.00 0.00 O ATOM 0 H GLU A 84 91.468 -10.276 6.821 1.00 0.00 H new ATOM 0 HA GLU A 84 89.727 -11.711 5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 84 88.956 -9.965 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 84 88.129 -11.403 7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 84 91.015 -11.385 8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 84 89.634 -11.803 9.011 1.00 0.00 H new ATOM 1218 N ASP A 85 89.588 -8.577 4.688 1.00 0.00 N ATOM 1219 CA ASP A 85 88.957 -7.499 3.933 1.00 0.00 C ATOM 1220 C ASP A 85 89.364 -7.580 2.466 1.00 0.00 C ATOM 1221 O ASP A 85 88.772 -6.921 1.611 1.00 0.00 O ATOM 1222 CB ASP A 85 89.386 -6.148 4.509 1.00 0.00 C ATOM 1223 CG ASP A 85 89.230 -6.147 6.027 1.00 0.00 C ATOM 1224 OD1 ASP A 85 89.419 -7.193 6.626 1.00 0.00 O ATOM 1225 OD2 ASP A 85 89.025 -5.078 6.578 1.00 0.00 O ATOM 0 H ASP A 85 90.539 -8.374 4.997 1.00 0.00 H new ATOM 0 HA ASP A 85 87.874 -7.600 4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 85 90.423 -5.944 4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 85 88.783 -5.351 4.074 1.00 0.00 H new ATOM 1230 N GLU A 86 90.382 -8.387 2.186 1.00 0.00 N ATOM 1231 CA GLU A 86 90.866 -8.529 0.817 1.00 0.00 C ATOM 1232 C GLU A 86 89.749 -9.022 -0.098 1.00 0.00 C ATOM 1233 O GLU A 86 89.464 -10.219 -0.138 1.00 0.00 O ATOM 1234 CB GLU A 86 92.036 -9.518 0.787 1.00 0.00 C ATOM 1235 CG GLU A 86 92.947 -9.261 -0.423 1.00 0.00 C ATOM 1236 CD GLU A 86 93.413 -10.571 -1.051 1.00 0.00 C ATOM 1237 OE1 GLU A 86 92.563 -11.397 -1.343 1.00 0.00 O ATOM 1238 OE2 GLU A 86 94.601 -10.697 -1.301 1.00 0.00 O ATOM 0 H GLU A 86 90.882 -8.946 2.878 1.00 0.00 H new ATOM 0 HA GLU A 86 91.202 -7.555 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.614 -9.430 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.653 -10.538 0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.412 -8.669 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.812 -8.676 -0.112 1.00 0.00 H new ATOM 1245 N ALA A 87 89.148 -8.111 -0.857 1.00 0.00 N ATOM 1246 CA ALA A 87 88.067 -8.489 -1.760 1.00 0.00 C ATOM 1247 C ALA A 87 87.611 -7.300 -2.598 1.00 0.00 C ATOM 1248 O ALA A 87 88.267 -6.259 -2.623 1.00 0.00 O ATOM 1249 CB ALA A 87 86.871 -9.011 -0.962 1.00 0.00 C ATOM 0 H ALA A 87 89.387 -7.119 -0.866 1.00 0.00 H new ATOM 0 HA ALA A 87 88.447 -9.269 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 87 86.070 -9.290 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 87 87.173 -9.883 -0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.516 -8.232 -0.287 1.00 0.00 H new ATOM 1255 N ASP A 88 86.452 -7.442 -3.239 1.00 0.00 N ATOM 1256 CA ASP A 88 85.869 -6.354 -4.018 1.00 0.00 C ATOM 1257 C ASP A 88 84.663 -5.752 -3.305 1.00 0.00 C ATOM 1258 O ASP A 88 83.709 -6.448 -2.960 1.00 0.00 O ATOM 1259 CB ASP A 88 85.452 -6.873 -5.395 1.00 0.00 C ATOM 1260 CG ASP A 88 86.687 -7.207 -6.224 1.00 0.00 C ATOM 1261 OD1 ASP A 88 87.511 -6.326 -6.405 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.780 -8.333 -6.687 1.00 0.00 O ATOM 0 H ASP A 88 85.900 -8.299 -3.234 1.00 0.00 H new ATOM 0 HA ASP A 88 86.621 -5.573 -4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.828 -7.760 -5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 88 84.851 -6.122 -5.909 1.00 0.00 H new ATOM 1267 N TYR A 89 84.703 -4.435 -3.135 1.00 0.00 N ATOM 1268 CA TYR A 89 83.632 -3.698 -2.472 1.00 0.00 C ATOM 1269 C TYR A 89 82.604 -3.219 -3.493 1.00 0.00 C ATOM 1270 O TYR A 89 82.918 -3.064 -4.673 1.00 0.00 O ATOM 1271 CB TYR A 89 84.226 -2.493 -1.735 1.00 0.00 C ATOM 1272 CG TYR A 89 84.882 -2.941 -0.449 1.00 0.00 C ATOM 1273 CD1 TYR A 89 86.101 -3.628 -0.488 1.00 0.00 C ATOM 1274 CD2 TYR A 89 84.308 -2.608 0.785 1.00 0.00 C ATOM 1275 CE1 TYR A 89 86.709 -4.047 0.702 1.00 0.00 C ATOM 1276 CE2 TYR A 89 84.923 -3.012 1.975 1.00 0.00 C ATOM 1277 CZ TYR A 89 86.128 -3.723 1.933 1.00 0.00 C ATOM 1278 OH TYR A 89 86.716 -4.152 3.105 1.00 0.00 O ATOM 0 H TYR A 89 85.476 -3.849 -3.452 1.00 0.00 H new ATOM 0 HA TYR A 89 83.136 -4.358 -1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 89 84.957 -1.993 -2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.442 -1.767 -1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 89 86.573 -3.835 -1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 89 83.390 -2.039 0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.624 -4.619 0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 89 84.468 -2.775 2.926 1.00 0.00 H new ATOM 0 HH TYR A 89 86.493 -3.531 3.829 1.00 0.00 H new ATOM 1288 N TYR A 90 81.417 -2.869 -3.008 1.00 0.00 N ATOM 1289 CA TYR A 90 80.351 -2.390 -3.883 1.00 0.00 C ATOM 1290 C TYR A 90 79.447 -1.401 -3.147 1.00 0.00 C ATOM 1291 O TYR A 90 79.231 -1.530 -1.942 1.00 0.00 O ATOM 1292 CB TYR A 90 79.549 -3.591 -4.395 1.00 0.00 C ATOM 1293 CG TYR A 90 80.318 -4.302 -5.487 1.00 0.00 C ATOM 1294 CD1 TYR A 90 80.126 -3.934 -6.824 1.00 0.00 C ATOM 1295 CD2 TYR A 90 81.187 -5.355 -5.173 1.00 0.00 C ATOM 1296 CE1 TYR A 90 80.836 -4.584 -7.841 1.00 0.00 C ATOM 1297 CE2 TYR A 90 81.928 -5.977 -6.186 1.00 0.00 C ATOM 1298 CZ TYR A 90 81.747 -5.597 -7.521 1.00 0.00 C ATOM 1299 OH TYR A 90 82.439 -6.243 -8.525 1.00 0.00 O ATOM 0 H TYR A 90 81.169 -2.907 -2.019 1.00 0.00 H new ATOM 0 HA TYR A 90 80.788 -1.862 -4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.347 -4.280 -3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.584 -3.258 -4.777 1.00 0.00 H new ATOM 0 HD1 TYR A 90 79.429 -3.147 -7.072 1.00 0.00 H new ATOM 0 HD2 TYR A 90 81.286 -5.687 -4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 90 80.681 -4.304 -8.872 1.00 0.00 H new ATOM 0 HE2 TYR A 90 82.640 -6.750 -5.937 1.00 0.00 H new ATOM 0 HH TYR A 90 83.031 -6.918 -8.132 1.00 0.00 H new ATOM 1309 N CYS A 91 78.836 -0.483 -3.897 1.00 0.00 N ATOM 1310 CA CYS A 91 77.969 0.560 -3.343 1.00 0.00 C ATOM 1311 C CYS A 91 76.571 0.335 -3.929 1.00 0.00 C ATOM 1312 O CYS A 91 76.445 -0.192 -5.035 1.00 0.00 O ATOM 1313 CB CYS A 91 78.474 1.967 -3.726 1.00 0.00 C ATOM 1314 SG CYS A 91 79.795 2.630 -2.665 1.00 0.00 S ATOM 0 H CYS A 91 78.929 -0.441 -4.912 1.00 0.00 H new ATOM 0 HA CYS A 91 77.962 0.503 -2.255 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.835 1.939 -4.754 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.631 2.657 -3.703 1.00 0.00 H new ATOM 1319 N GLN A 92 75.512 0.594 -3.160 1.00 0.00 N ATOM 1320 CA GLN A 92 74.142 0.455 -3.655 1.00 0.00 C ATOM 1321 C GLN A 92 73.348 1.739 -3.434 1.00 0.00 C ATOM 1322 O GLN A 92 73.473 2.380 -2.392 1.00 0.00 O ATOM 1323 CB GLN A 92 73.411 -0.687 -2.943 1.00 0.00 C ATOM 1324 CG GLN A 92 74.250 -1.969 -2.972 1.00 0.00 C ATOM 1325 CD GLN A 92 73.362 -3.201 -2.819 1.00 0.00 C ATOM 1326 OE1 GLN A 92 72.090 -3.065 -2.560 1.00 0.00 O flip ATOM 1327 NE2 GLN A 92 73.852 -4.328 -2.897 1.00 0.00 N flip ATOM 0 H GLN A 92 75.578 0.902 -2.190 1.00 0.00 H new ATOM 0 HA GLN A 92 74.211 0.240 -4.721 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.204 -0.405 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.449 -0.865 -3.424 1.00 0.00 H new ATOM 0 HG2 GLN A 92 74.802 -2.027 -3.910 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.987 -1.945 -2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.846 -4.439 -3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 92 73.264 -5.150 -2.759 1.00 0.00 H new ATOM 1336 N SER A 93 72.455 2.069 -4.365 1.00 0.00 N ATOM 1337 CA SER A 93 71.611 3.252 -4.220 1.00 0.00 C ATOM 1338 C SER A 93 70.233 3.025 -4.832 1.00 0.00 C ATOM 1339 O SER A 93 70.072 2.196 -5.728 1.00 0.00 O ATOM 1340 CB SER A 93 72.283 4.454 -4.888 1.00 0.00 C ATOM 1341 OG SER A 93 72.279 4.277 -6.297 1.00 0.00 O ATOM 0 H SER A 93 72.298 1.538 -5.222 1.00 0.00 H new ATOM 0 HA SER A 93 71.482 3.449 -3.156 1.00 0.00 H new ATOM 0 HB2 SER A 93 71.756 5.371 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.306 4.559 -4.527 1.00 0.00 H new ATOM 0 HG SER A 93 72.708 5.047 -6.725 1.00 0.00 H new ATOM 1347 N TYR A 94 69.258 3.828 -4.411 1.00 0.00 N ATOM 1348 CA TYR A 94 67.894 3.723 -4.922 1.00 0.00 C ATOM 1349 C TYR A 94 67.483 5.022 -5.607 1.00 0.00 C ATOM 1350 O TYR A 94 67.996 6.096 -5.292 1.00 0.00 O ATOM 1351 CB TYR A 94 66.930 3.424 -3.770 1.00 0.00 C ATOM 1352 CG TYR A 94 66.962 1.951 -3.438 1.00 0.00 C ATOM 1353 CD1 TYR A 94 66.180 1.056 -4.177 1.00 0.00 C ATOM 1354 CD2 TYR A 94 67.767 1.485 -2.393 1.00 0.00 C ATOM 1355 CE1 TYR A 94 66.218 -0.312 -3.881 1.00 0.00 C ATOM 1356 CE2 TYR A 94 67.784 0.121 -2.079 1.00 0.00 C ATOM 1357 CZ TYR A 94 67.028 -0.779 -2.839 1.00 0.00 C ATOM 1358 OH TYR A 94 67.074 -2.129 -2.556 1.00 0.00 O ATOM 0 H TYR A 94 69.389 4.561 -3.714 1.00 0.00 H new ATOM 0 HA TYR A 94 67.855 2.912 -5.649 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.206 4.009 -2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 94 65.918 3.721 -4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 94 65.548 1.420 -4.974 1.00 0.00 H new ATOM 0 HD2 TYR A 94 68.375 2.177 -1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 94 65.623 -1.006 -4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 94 68.379 -0.236 -1.252 1.00 0.00 H new ATOM 0 HH TYR A 94 67.684 -2.285 -1.805 1.00 0.00 H new ATOM 1368 N ASP A 95 66.567 4.907 -6.565 1.00 0.00 N ATOM 1369 CA ASP A 95 66.087 6.060 -7.320 1.00 0.00 C ATOM 1370 C ASP A 95 64.635 6.367 -6.968 1.00 0.00 C ATOM 1371 O ASP A 95 63.934 5.537 -6.389 1.00 0.00 O ATOM 1372 CB ASP A 95 66.193 5.777 -8.820 1.00 0.00 C ATOM 1373 CG ASP A 95 67.654 5.828 -9.258 1.00 0.00 C ATOM 1374 OD1 ASP A 95 68.510 5.897 -8.392 1.00 0.00 O ATOM 1375 OD2 ASP A 95 67.896 5.780 -10.453 1.00 0.00 O ATOM 0 H ASP A 95 66.140 4.021 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 95 66.703 6.921 -7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 95 65.771 4.797 -9.044 1.00 0.00 H new ATOM 0 HB3 ASP A 95 65.611 6.510 -9.379 1.00 0.00 H new ATOM 1380 N SER A 96 64.190 7.565 -7.334 1.00 0.00 N ATOM 1381 CA SER A 96 62.825 7.989 -7.049 1.00 0.00 C ATOM 1382 C SER A 96 61.818 7.062 -7.722 1.00 0.00 C ATOM 1383 O SER A 96 60.685 6.924 -7.260 1.00 0.00 O ATOM 1384 CB SER A 96 62.623 9.426 -7.538 1.00 0.00 C ATOM 1385 OG SER A 96 63.289 9.600 -8.780 1.00 0.00 O ATOM 0 H SER A 96 64.754 8.257 -7.827 1.00 0.00 H new ATOM 0 HA SER A 96 62.662 7.944 -5.972 1.00 0.00 H new ATOM 0 HB2 SER A 96 61.560 9.637 -7.650 1.00 0.00 H new ATOM 0 HB3 SER A 96 63.012 10.130 -6.802 1.00 0.00 H new ATOM 0 HG SER A 96 63.159 10.519 -9.095 1.00 0.00 H new ATOM 1391 N SER A 97 62.241 6.411 -8.801 1.00 0.00 N ATOM 1392 CA SER A 97 61.359 5.500 -9.521 1.00 0.00 C ATOM 1393 C SER A 97 61.210 4.191 -8.753 1.00 0.00 C ATOM 1394 O SER A 97 60.520 3.273 -9.195 1.00 0.00 O ATOM 1395 CB SER A 97 61.924 5.228 -10.916 1.00 0.00 C ATOM 1396 OG SER A 97 63.323 5.009 -10.823 1.00 0.00 O ATOM 0 H SER A 97 63.179 6.496 -9.193 1.00 0.00 H new ATOM 0 HA SER A 97 60.376 5.961 -9.617 1.00 0.00 H new ATOM 0 HB2 SER A 97 61.437 4.357 -11.354 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.720 6.072 -11.574 1.00 0.00 H new ATOM 0 HG SER A 97 63.687 4.833 -11.716 1.00 0.00 H new ATOM 1402 N ASN A 98 61.880 4.109 -7.608 1.00 0.00 N ATOM 1403 CA ASN A 98 61.808 2.923 -6.764 1.00 0.00 C ATOM 1404 C ASN A 98 62.515 1.747 -7.432 1.00 0.00 C ATOM 1405 O ASN A 98 62.057 0.607 -7.352 1.00 0.00 O ATOM 1406 CB ASN A 98 60.340 2.580 -6.484 1.00 0.00 C ATOM 1407 CG ASN A 98 60.175 1.996 -5.084 1.00 0.00 C ATOM 1408 OD1 ASN A 98 60.774 2.496 -4.133 1.00 0.00 O ATOM 1409 ND2 ASN A 98 59.354 1.000 -4.894 1.00 0.00 N ATOM 0 H ASN A 98 62.479 4.850 -7.244 1.00 0.00 H new ATOM 0 HA ASN A 98 62.312 3.127 -5.819 1.00 0.00 H new ATOM 0 HB2 ASN A 98 59.728 3.476 -6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 98 59.982 1.866 -7.225 1.00 0.00 H new ATOM 0 HD21 ASN A 98 59.207 0.633 -3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 98 58.859 0.589 -5.686 1.00 0.00 H new ATOM 1416 N HIS A 99 63.625 2.032 -8.107 1.00 0.00 N ATOM 1417 CA HIS A 99 64.411 0.997 -8.771 1.00 0.00 C ATOM 1418 C HIS A 99 65.771 0.844 -8.100 1.00 0.00 C ATOM 1419 O HIS A 99 66.382 1.825 -7.678 1.00 0.00 O ATOM 1420 CB HIS A 99 64.605 1.378 -10.240 1.00 0.00 C ATOM 1421 CG HIS A 99 63.286 1.281 -10.956 1.00 0.00 C ATOM 1422 ND1 HIS A 99 62.095 1.680 -10.371 1.00 0.00 N ATOM 1423 CD2 HIS A 99 62.952 0.806 -12.202 1.00 0.00 C ATOM 1424 CE1 HIS A 99 61.111 1.451 -11.257 1.00 0.00 C ATOM 1425 NE2 HIS A 99 61.576 0.924 -12.393 1.00 0.00 N ATOM 0 H HIS A 99 64.001 2.975 -8.209 1.00 0.00 H new ATOM 0 HA HIS A 99 63.879 0.048 -8.699 1.00 0.00 H new ATOM 0 HB2 HIS A 99 65.000 2.391 -10.316 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.335 0.716 -10.706 1.00 0.00 H new ATOM 0 HD2 HIS A 99 63.649 0.403 -12.922 1.00 0.00 H new ATOM 0 HE1 HIS A 99 60.069 1.667 -11.073 1.00 0.00 H new ATOM 0 HE2 HIS A 99 61.040 0.664 -13.221 1.00 0.00 H new ATOM 1433 N VAL A 100 66.241 -0.396 -8.016 1.00 0.00 N ATOM 1434 CA VAL A 100 67.536 -0.677 -7.406 1.00 0.00 C ATOM 1435 C VAL A 100 68.656 -0.385 -8.401 1.00 0.00 C ATOM 1436 O VAL A 100 68.567 -0.754 -9.572 1.00 0.00 O ATOM 1437 CB VAL A 100 67.575 -2.137 -6.944 1.00 0.00 C ATOM 1438 CG1 VAL A 100 66.910 -3.034 -7.992 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.018 -2.594 -6.704 1.00 0.00 C ATOM 0 H VAL A 100 65.747 -1.219 -8.361 1.00 0.00 H new ATOM 0 HA VAL A 100 67.681 -0.034 -6.538 1.00 0.00 H new ATOM 0 HB VAL A 100 67.029 -2.215 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 100 66.942 -4.071 -7.656 1.00 0.00 H new ATOM 0 HG12 VAL A 100 65.873 -2.728 -8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 100 67.442 -2.943 -8.939 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.021 -3.634 -6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 100 69.587 -2.503 -7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.474 -1.970 -5.935 1.00 0.00 H new ATOM 1449 N VAL A 101 69.759 0.168 -7.904 1.00 0.00 N ATOM 1450 CA VAL A 101 70.928 0.441 -8.735 1.00 0.00 C ATOM 1451 C VAL A 101 72.198 0.028 -7.998 1.00 0.00 C ATOM 1452 O VAL A 101 72.262 0.079 -6.770 1.00 0.00 O ATOM 1453 CB VAL A 101 70.982 1.934 -9.079 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.340 2.287 -9.691 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.866 2.289 -10.066 1.00 0.00 C ATOM 0 H VAL A 101 69.868 0.437 -6.926 1.00 0.00 H new ATOM 0 HA VAL A 101 70.853 -0.134 -9.658 1.00 0.00 H new ATOM 0 HB VAL A 101 70.844 2.506 -8.162 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.366 3.350 -9.931 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.131 2.057 -8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 101 72.491 1.706 -10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 101 69.914 3.352 -10.303 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.990 1.708 -10.980 1.00 0.00 H new ATOM 0 HG23 VAL A 101 68.899 2.061 -9.619 1.00 0.00 H new ATOM 1465 N PHE A 102 73.225 -0.341 -8.760 1.00 0.00 N ATOM 1466 CA PHE A 102 74.509 -0.733 -8.188 1.00 0.00 C ATOM 1467 C PHE A 102 75.641 0.106 -8.770 1.00 0.00 C ATOM 1468 O PHE A 102 75.495 0.717 -9.829 1.00 0.00 O ATOM 1469 CB PHE A 102 74.778 -2.211 -8.480 1.00 0.00 C ATOM 1470 CG PHE A 102 73.607 -3.045 -8.014 1.00 0.00 C ATOM 1471 CD1 PHE A 102 73.203 -3.001 -6.673 1.00 0.00 C ATOM 1472 CD2 PHE A 102 72.938 -3.882 -8.916 1.00 0.00 C ATOM 1473 CE1 PHE A 102 72.149 -3.810 -6.231 1.00 0.00 C ATOM 1474 CE2 PHE A 102 71.912 -4.720 -8.465 1.00 0.00 C ATOM 1475 CZ PHE A 102 71.468 -4.628 -7.141 1.00 0.00 C ATOM 0 H PHE A 102 73.192 -0.376 -9.779 1.00 0.00 H new ATOM 0 HA PHE A 102 74.466 -0.569 -7.111 1.00 0.00 H new ATOM 0 HB2 PHE A 102 74.938 -2.357 -9.548 1.00 0.00 H new ATOM 0 HB3 PHE A 102 75.689 -2.531 -7.974 1.00 0.00 H new ATOM 0 HD1 PHE A 102 73.705 -2.342 -5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 102 73.214 -3.881 -9.960 1.00 0.00 H new ATOM 0 HE1 PHE A 102 71.862 -3.803 -5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 102 71.464 -5.436 -9.137 1.00 0.00 H new ATOM 0 HZ PHE A 102 70.601 -5.187 -6.821 1.00 0.00 H new ATOM 1485 N GLY A 103 76.734 0.206 -8.020 1.00 0.00 N ATOM 1486 CA GLY A 103 77.895 0.973 -8.458 1.00 0.00 C ATOM 1487 C GLY A 103 78.968 0.052 -9.027 1.00 0.00 C ATOM 1488 O GLY A 103 78.962 -1.154 -8.778 1.00 0.00 O ATOM 0 H GLY A 103 76.840 -0.234 -7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.593 1.698 -9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.301 1.538 -7.619 1.00 0.00 H new ATOM 1492 N GLY A 104 79.929 0.636 -9.735 1.00 0.00 N ATOM 1493 CA GLY A 104 81.003 -0.149 -10.331 1.00 0.00 C ATOM 1494 C GLY A 104 81.761 -0.925 -9.259 1.00 0.00 C ATOM 1495 O GLY A 104 82.168 -2.066 -9.477 1.00 0.00 O ATOM 0 H GLY A 104 79.986 1.639 -9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.590 -0.841 -11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.689 0.509 -10.864 1.00 0.00 H new ATOM 1499 N GLY A 105 81.878 -0.325 -8.078 1.00 0.00 N ATOM 1500 CA GLY A 105 82.541 -0.974 -6.952 1.00 0.00 C ATOM 1501 C GLY A 105 84.045 -0.728 -6.979 1.00 0.00 C ATOM 1502 O GLY A 105 84.552 -0.039 -7.864 1.00 0.00 O ATOM 0 H GLY A 105 81.522 0.609 -7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.126 -0.598 -6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.345 -2.046 -6.980 1.00 0.00 H new ATOM 1506 N THR A 106 84.712 -1.113 -5.895 1.00 0.00 N ATOM 1507 CA THR A 106 86.132 -0.828 -5.716 1.00 0.00 C ATOM 1508 C THR A 106 86.868 -2.099 -5.303 1.00 0.00 C ATOM 1509 O THR A 106 86.519 -2.729 -4.305 1.00 0.00 O ATOM 1510 CB THR A 106 86.284 0.269 -4.657 1.00 0.00 C ATOM 1511 OG1 THR A 106 86.038 1.529 -5.263 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.691 0.284 -4.055 1.00 0.00 C ATOM 0 H THR A 106 84.288 -1.627 -5.122 1.00 0.00 H new ATOM 0 HA THR A 106 86.569 -0.479 -6.652 1.00 0.00 H new ATOM 0 HB THR A 106 85.570 0.069 -3.858 1.00 0.00 H new ATOM 0 HG1 THR A 106 86.299 1.495 -6.207 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.759 1.075 -3.309 1.00 0.00 H new ATOM 0 HG22 THR A 106 87.896 -0.678 -3.584 1.00 0.00 H new ATOM 0 HG23 THR A 106 88.422 0.465 -4.843 1.00 0.00 H new ATOM 1520 N LYS A 107 87.948 -2.410 -6.015 1.00 0.00 N ATOM 1521 CA LYS A 107 88.794 -3.543 -5.653 1.00 0.00 C ATOM 1522 C LYS A 107 89.756 -3.151 -4.538 1.00 0.00 C ATOM 1523 O LYS A 107 90.700 -2.393 -4.762 1.00 0.00 O ATOM 1524 CB LYS A 107 89.572 -4.034 -6.878 1.00 0.00 C ATOM 1525 CG LYS A 107 90.593 -5.099 -6.469 1.00 0.00 C ATOM 1526 CD LYS A 107 91.237 -5.705 -7.718 1.00 0.00 C ATOM 1527 CE LYS A 107 92.376 -6.646 -7.314 1.00 0.00 C ATOM 1528 NZ LYS A 107 93.617 -5.855 -7.082 1.00 0.00 N ATOM 0 H LYS A 107 88.256 -1.897 -6.841 1.00 0.00 H new ATOM 0 HA LYS A 107 88.159 -4.353 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 107 88.882 -4.446 -7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.082 -3.196 -7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.359 -4.656 -5.832 1.00 0.00 H new ATOM 0 HG3 LYS A 107 90.105 -5.879 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.490 -6.251 -8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.619 -4.913 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 107 92.107 -7.193 -6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 107 92.545 -7.386 -8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 94.390 -6.494 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 93.877 -5.352 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 93.452 -5.165 -6.321 1.00 0.00 H new ATOM 1542 N LEU A 108 89.586 -3.760 -3.368 1.00 0.00 N ATOM 1543 CA LEU A 108 90.487 -3.509 -2.249 1.00 0.00 C ATOM 1544 C LEU A 108 91.436 -4.685 -2.046 1.00 0.00 C ATOM 1545 O LEU A 108 91.009 -5.835 -1.952 1.00 0.00 O ATOM 1546 CB LEU A 108 89.665 -3.277 -0.979 1.00 0.00 C ATOM 1547 CG LEU A 108 90.508 -2.563 0.083 1.00 0.00 C ATOM 1548 CD1 LEU A 108 90.567 -1.058 -0.199 1.00 0.00 C ATOM 1549 CD2 LEU A 108 89.881 -2.775 1.464 1.00 0.00 C ATOM 0 H LEU A 108 88.839 -4.426 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 108 91.083 -2.623 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.783 -2.681 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.310 -4.231 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 108 91.516 -2.977 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.170 -0.568 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.015 -0.889 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.558 -0.645 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 108 90.482 -2.267 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.870 -2.368 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 108 89.845 -3.841 1.687 1.00 0.00 H new ATOM 1561 N THR A 109 92.716 -4.368 -1.873 1.00 0.00 N ATOM 1562 CA THR A 109 93.737 -5.381 -1.623 1.00 0.00 C ATOM 1563 C THR A 109 94.424 -5.109 -0.287 1.00 0.00 C ATOM 1564 O THR A 109 94.745 -3.967 0.039 1.00 0.00 O ATOM 1565 CB THR A 109 94.743 -5.381 -2.780 1.00 0.00 C ATOM 1566 OG1 THR A 109 94.255 -6.225 -3.813 1.00 0.00 O ATOM 1567 CG2 THR A 109 96.115 -5.895 -2.334 1.00 0.00 C ATOM 0 H THR A 109 93.072 -3.413 -1.902 1.00 0.00 H new ATOM 0 HA THR A 109 93.277 -6.367 -1.566 1.00 0.00 H new ATOM 0 HB THR A 109 94.858 -4.356 -3.131 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.891 -6.230 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.802 -5.881 -3.180 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.503 -5.256 -1.541 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.018 -6.915 -1.963 1.00 0.00 H new ATOM 1575 N VAL A 110 94.734 -6.188 0.426 1.00 0.00 N ATOM 1576 CA VAL A 110 95.416 -6.111 1.714 1.00 0.00 C ATOM 1577 C VAL A 110 96.816 -6.708 1.607 1.00 0.00 C ATOM 1578 O VAL A 110 96.988 -7.827 1.122 1.00 0.00 O ATOM 1579 CB VAL A 110 94.617 -6.876 2.773 1.00 0.00 C ATOM 1580 CG1 VAL A 110 95.308 -6.788 4.143 1.00 0.00 C ATOM 1581 CG2 VAL A 110 93.207 -6.281 2.846 1.00 0.00 C ATOM 0 H VAL A 110 94.520 -7.140 0.127 1.00 0.00 H new ATOM 0 HA VAL A 110 95.495 -5.063 2.004 1.00 0.00 H new ATOM 0 HB VAL A 110 94.560 -7.929 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.724 -7.338 4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 110 96.307 -7.220 4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 110 95.384 -5.744 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.625 -6.816 3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.270 -5.228 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.721 -6.376 1.875 1.00 0.00 H new ATOM 1591 N LEU A 111 97.812 -5.982 2.105 1.00 0.00 N ATOM 1592 CA LEU A 111 99.203 -6.411 1.999 1.00 0.00 C ATOM 1593 C LEU A 111 99.962 -6.036 3.269 1.00 0.00 C ATOM 1594 O LEU A 111 99.371 -5.366 4.104 1.00 0.00 O ATOM 1595 CB LEU A 111 99.877 -5.810 0.757 1.00 0.00 C ATOM 1596 CG LEU A 111 99.316 -4.429 0.399 1.00 0.00 C ATOM 1597 CD1 LEU A 111 99.897 -3.363 1.330 1.00 0.00 C ATOM 1598 CD2 LEU A 111 99.701 -4.085 -1.042 1.00 0.00 C ATOM 1599 OXT LEU A 111 101.134 -6.343 3.349 1.00 0.00 O ATOM 0 H LEU A 111 97.682 -5.092 2.587 1.00 0.00 H new ATOM 0 HA LEU A 111 99.223 -7.495 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 111 100.950 -5.729 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 111 99.742 -6.484 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 111 98.232 -4.451 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 111 99.490 -2.387 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 111 99.633 -3.598 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 111 100.982 -3.343 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.304 -3.103 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 111 100.787 -4.073 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 111 99.287 -4.833 -1.718 1.00 0.00 H new