USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 705 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 32 ASN : amide:sc= -7.3! C(o=-8.5!,f=-15!) USER MOD Set 1.2: A 93 SER OG : rot 113:sc= -1.16 USER MOD Set 2.1: A 19 THR OG1 : rot 50:sc= 0.605 USER MOD Set 2.2: A 77 THR OG1 : rot -43:sc= 1.16 USER MOD Set 3.1: A 37 TYR OH : rot -119:sc= 0.87 USER MOD Set 3.2: A 47 THR OG1 : rot -37:sc= 0.472! USER MOD Set 4.1: A 35 GLN : amide:sc= -8.3! C(o=-14!,f=-23!) USER MOD Set 4.2: A 92 GLN : amide:sc= -3.8! C(o=-14!,f=-13!) USER MOD Set 4.3: A 94 TYR OH : rot 70:sc= -2.15 USER MOD Set 5.1: A 13 SER OG : rot -130:sc= 0.173 USER MOD Set 5.2: A 16 LYS NZ :NH3+ 166:sc= 0.568 (180deg=-0.0102) USER MOD Set 6.1: A 8 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-2!) USER MOD Set 6.2: A 9 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 6 GLN : amide:sc= -3.25! C(o=-3.1!,f=-11!) USER MOD Set 7.2: A 106 THR OG1 : rot 96:sc= 0.194 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 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 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= -1.67 USER MOD Single : A 25 SER OG : rot -92:sc= 1.07 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -130:sc= -0.513 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -6.17! C(o=-6.2!,f=-12!) USER MOD Single : A 39 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.26) USER MOD Single : A 46 THR OG1 : rot 34:sc= 0.261 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -3.53! K(o=-3.5!,f=-0.67) USER MOD Single : A 54 GLN : amide:sc= -6.69! K(o=-6.7!,f=-2.3) 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 -28:sc= 0.386 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.688 USER MOD Single : A 72 ASN : amide:sc= -0.155 K(o=-0.15,f=-2!) 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 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 USER MOD Single : A 89 TYR OH : rot -15:sc= -2.13! USER MOD Single : A 90 TYR OH : rot -104:sc= -1.03 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 82.766 14.501 8.120 1.00 0.00 N ATOM 38 CA MET A 3 83.823 13.689 7.522 1.00 0.00 C ATOM 39 C MET A 3 83.384 12.232 7.444 1.00 0.00 C ATOM 40 O MET A 3 82.304 11.893 7.924 1.00 0.00 O ATOM 41 CB MET A 3 85.098 13.788 8.365 1.00 0.00 C ATOM 42 CG MET A 3 85.567 15.244 8.419 1.00 0.00 C ATOM 43 SD MET A 3 86.061 15.789 6.765 1.00 0.00 S ATOM 44 CE MET A 3 87.791 15.267 6.865 1.00 0.00 C ATOM 0 HA MET A 3 84.021 14.061 6.517 1.00 0.00 H new ATOM 0 HB2 MET A 3 84.909 13.419 9.373 1.00 0.00 H new ATOM 0 HB3 MET A 3 85.879 13.160 7.937 1.00 0.00 H new ATOM 0 HG2 MET A 3 84.767 15.880 8.798 1.00 0.00 H new ATOM 0 HG3 MET A 3 86.405 15.341 9.109 1.00 0.00 H new ATOM 0 HE1 MET A 3 88.299 15.511 5.932 1.00 0.00 H new ATOM 0 HE2 MET A 3 88.280 15.784 7.690 1.00 0.00 H new ATOM 0 HE3 MET A 3 87.837 14.191 7.033 1.00 0.00 H new ATOM 54 N LEU A 4 84.150 11.402 6.741 1.00 0.00 N ATOM 55 CA LEU A 4 83.817 9.991 6.586 1.00 0.00 C ATOM 56 C LEU A 4 85.043 9.145 6.905 1.00 0.00 C ATOM 57 O LEU A 4 85.960 9.030 6.093 1.00 0.00 O ATOM 58 CB LEU A 4 83.346 9.745 5.147 1.00 0.00 C ATOM 59 CG LEU A 4 81.942 9.131 5.134 1.00 0.00 C ATOM 60 CD1 LEU A 4 81.356 9.223 3.724 1.00 0.00 C ATOM 61 CD2 LEU A 4 81.982 7.671 5.604 1.00 0.00 C ATOM 0 H LEU A 4 85.009 11.685 6.268 1.00 0.00 H new ATOM 0 HA LEU A 4 83.017 9.713 7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 4 83.342 10.685 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 4 84.044 9.079 4.639 1.00 0.00 H new ATOM 0 HG LEU A 4 81.307 9.688 5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 4 80.357 8.786 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 4 81.297 10.269 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 4 81.995 8.680 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 4 80.974 7.255 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 4 82.625 7.093 4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 4 82.375 7.626 6.620 1.00 0.00 H new ATOM 73 N THR A 5 85.045 8.556 8.096 1.00 0.00 N ATOM 74 CA THR A 5 86.184 7.758 8.531 1.00 0.00 C ATOM 75 C THR A 5 85.970 6.300 8.138 1.00 0.00 C ATOM 76 O THR A 5 84.855 5.787 8.246 1.00 0.00 O ATOM 77 CB THR A 5 86.343 7.853 10.051 1.00 0.00 C ATOM 78 OG1 THR A 5 86.038 9.173 10.473 1.00 0.00 O ATOM 79 CG2 THR A 5 87.784 7.517 10.442 1.00 0.00 C ATOM 0 H THR A 5 84.281 8.615 8.769 1.00 0.00 H new ATOM 0 HA THR A 5 87.085 8.139 8.050 1.00 0.00 H new ATOM 0 HB THR A 5 85.665 7.147 10.530 1.00 0.00 H new ATOM 0 HG1 THR A 5 86.137 9.237 11.446 1.00 0.00 H new ATOM 0 HG21 THR A 5 87.893 7.586 11.524 1.00 0.00 H new ATOM 0 HG22 THR A 5 88.022 6.504 10.117 1.00 0.00 H new ATOM 0 HG23 THR A 5 88.464 8.221 9.963 1.00 0.00 H new ATOM 87 N GLN A 6 87.024 5.647 7.657 1.00 0.00 N ATOM 88 CA GLN A 6 86.943 4.239 7.281 1.00 0.00 C ATOM 89 C GLN A 6 88.247 3.527 7.621 1.00 0.00 C ATOM 90 O GLN A 6 89.297 4.168 7.666 1.00 0.00 O ATOM 91 CB GLN A 6 86.660 4.121 5.777 1.00 0.00 C ATOM 92 CG GLN A 6 85.158 4.238 5.496 1.00 0.00 C ATOM 93 CD GLN A 6 84.767 3.430 4.263 1.00 0.00 C ATOM 94 OE1 GLN A 6 85.371 3.587 3.203 1.00 0.00 O ATOM 95 NE2 GLN A 6 83.857 2.501 4.365 1.00 0.00 N ATOM 0 H GLN A 6 87.942 6.069 7.519 1.00 0.00 H new ATOM 0 HA GLN A 6 86.132 3.770 7.838 1.00 0.00 H new ATOM 0 HB2 GLN A 6 87.197 4.902 5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 6 87.031 3.165 5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 6 84.594 3.885 6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 6 84.893 5.285 5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 6 83.357 2.372 5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 6 83.646 1.904 3.565 1.00 0.00 H new ATOM 104 N PRO A 7 88.221 2.223 7.726 1.00 0.00 N ATOM 105 CA PRO A 7 89.435 1.437 8.085 1.00 0.00 C ATOM 106 C PRO A 7 90.620 1.827 7.205 1.00 0.00 C ATOM 107 O PRO A 7 90.503 1.856 5.980 1.00 0.00 O ATOM 108 CB PRO A 7 89.027 -0.026 7.861 1.00 0.00 C ATOM 109 CG PRO A 7 87.590 -0.025 7.439 1.00 0.00 C ATOM 110 CD PRO A 7 87.025 1.363 7.747 1.00 0.00 C ATOM 0 HA PRO A 7 89.759 1.618 9.110 1.00 0.00 H new ATOM 0 HB2 PRO A 7 89.652 -0.487 7.096 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.160 -0.607 8.774 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.502 -0.248 6.376 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.032 -0.794 7.973 1.00 0.00 H new ATOM 0 HD2 PRO A 7 86.292 1.674 7.003 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.527 1.389 8.716 1.00 0.00 H new ATOM 118 N HIS A 8 91.749 2.142 7.831 1.00 0.00 N ATOM 119 CA HIS A 8 92.933 2.544 7.080 1.00 0.00 C ATOM 120 C HIS A 8 93.154 1.609 5.894 1.00 0.00 C ATOM 121 O HIS A 8 93.175 2.038 4.740 1.00 0.00 O ATOM 122 CB HIS A 8 94.158 2.526 8.000 1.00 0.00 C ATOM 123 CG HIS A 8 94.029 1.407 8.998 1.00 0.00 C ATOM 124 ND1 HIS A 8 93.369 1.570 10.205 1.00 0.00 N ATOM 125 CD2 HIS A 8 94.409 0.085 8.959 1.00 0.00 C ATOM 126 CE1 HIS A 8 93.408 0.395 10.855 1.00 0.00 C ATOM 127 NE2 HIS A 8 94.034 -0.545 10.144 1.00 0.00 N ATOM 0 H HIS A 8 91.869 2.127 8.844 1.00 0.00 H new ATOM 0 HA HIS A 8 92.784 3.555 6.700 1.00 0.00 H new ATOM 0 HB2 HIS A 8 95.065 2.397 7.410 1.00 0.00 H new ATOM 0 HB3 HIS A 8 94.248 3.480 8.519 1.00 0.00 H new ATOM 0 HD2 HIS A 8 94.920 -0.392 8.136 1.00 0.00 H new ATOM 0 HE1 HIS A 8 92.984 0.231 11.835 1.00 0.00 H new ATOM 0 HE2 HIS A 8 94.202 -1.515 10.410 1.00 0.00 H new ATOM 135 N SER A 9 93.322 0.324 6.191 1.00 0.00 N ATOM 136 CA SER A 9 93.505 -0.672 5.142 1.00 0.00 C ATOM 137 C SER A 9 93.298 -2.077 5.695 1.00 0.00 C ATOM 138 O SER A 9 93.367 -2.297 6.904 1.00 0.00 O ATOM 139 CB SER A 9 94.911 -0.556 4.551 1.00 0.00 C ATOM 140 OG SER A 9 95.869 -0.790 5.571 1.00 0.00 O ATOM 0 H SER A 9 93.335 -0.049 7.140 1.00 0.00 H new ATOM 0 HA SER A 9 92.767 -0.489 4.361 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.039 -1.277 3.744 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.056 0.435 4.120 1.00 0.00 H new ATOM 0 HG SER A 9 96.771 -0.718 5.195 1.00 0.00 H new ATOM 146 N VAL A 10 93.084 -3.037 4.802 1.00 0.00 N ATOM 147 CA VAL A 10 92.877 -4.415 5.229 1.00 0.00 C ATOM 148 C VAL A 10 93.088 -5.363 4.054 1.00 0.00 C ATOM 149 O VAL A 10 93.000 -4.958 2.895 1.00 0.00 O ATOM 150 CB VAL A 10 91.460 -4.567 5.785 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.449 -4.004 4.782 1.00 0.00 C ATOM 152 CG2 VAL A 10 91.164 -6.045 6.054 1.00 0.00 C ATOM 0 H VAL A 10 93.050 -2.890 3.793 1.00 0.00 H new ATOM 0 HA VAL A 10 93.596 -4.665 6.009 1.00 0.00 H new ATOM 0 HB VAL A 10 91.379 -4.014 6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.441 -4.114 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.658 -2.948 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.528 -4.549 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 10 90.154 -6.148 6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 10 91.248 -6.608 5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 10 91.879 -6.433 6.779 1.00 0.00 H new ATOM 162 N SER A 11 93.313 -6.637 4.357 1.00 0.00 N ATOM 163 CA SER A 11 93.504 -7.638 3.313 1.00 0.00 C ATOM 164 C SER A 11 92.868 -8.965 3.718 1.00 0.00 C ATOM 165 O SER A 11 92.929 -9.353 4.885 1.00 0.00 O ATOM 166 CB SER A 11 94.999 -7.843 3.057 1.00 0.00 C ATOM 167 OG SER A 11 95.593 -8.471 4.183 1.00 0.00 O ATOM 0 H SER A 11 93.367 -6.999 5.309 1.00 0.00 H new ATOM 0 HA SER A 11 93.023 -7.283 2.402 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.145 -8.455 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 11 95.481 -6.884 2.867 1.00 0.00 H new ATOM 0 HG SER A 11 96.550 -8.603 4.017 1.00 0.00 H new ATOM 173 N GLU A 12 92.410 -9.730 2.730 1.00 0.00 N ATOM 174 CA GLU A 12 91.771 -11.019 2.987 1.00 0.00 C ATOM 175 C GLU A 12 92.198 -12.028 1.924 1.00 0.00 C ATOM 176 O GLU A 12 92.620 -11.640 0.834 1.00 0.00 O ATOM 177 CB GLU A 12 90.245 -10.860 2.974 1.00 0.00 C ATOM 178 CG GLU A 12 89.601 -11.818 3.981 1.00 0.00 C ATOM 179 CD GLU A 12 89.791 -11.281 5.396 1.00 0.00 C ATOM 180 OE1 GLU A 12 89.816 -10.071 5.550 1.00 0.00 O ATOM 181 OE2 GLU A 12 89.971 -12.083 6.298 1.00 0.00 O ATOM 0 H GLU A 12 92.469 -9.480 1.743 1.00 0.00 H new ATOM 0 HA GLU A 12 92.080 -11.381 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 12 89.978 -9.832 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 12 89.860 -11.061 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 12 88.539 -11.929 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 12 90.049 -12.808 3.894 1.00 0.00 H new ATOM 188 N SER A 13 92.181 -13.309 2.281 1.00 0.00 N ATOM 189 CA SER A 13 92.596 -14.361 1.358 1.00 0.00 C ATOM 190 C SER A 13 91.513 -14.613 0.309 1.00 0.00 C ATOM 191 O SER A 13 90.325 -14.549 0.628 1.00 0.00 O ATOM 192 CB SER A 13 92.923 -15.639 2.141 1.00 0.00 C ATOM 193 OG SER A 13 92.882 -15.352 3.530 1.00 0.00 O ATOM 0 H SER A 13 91.886 -13.643 3.199 1.00 0.00 H new ATOM 0 HA SER A 13 93.495 -14.041 0.831 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.207 -16.424 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 13 93.909 -16.010 1.862 1.00 0.00 H new ATOM 0 HG SER A 13 93.699 -15.685 3.957 1.00 0.00 H new ATOM 199 N PRO A 14 91.866 -14.986 -0.894 1.00 0.00 N ATOM 200 CA PRO A 14 90.855 -15.340 -1.931 1.00 0.00 C ATOM 201 C PRO A 14 89.981 -16.507 -1.480 1.00 0.00 C ATOM 202 O PRO A 14 90.453 -17.641 -1.394 1.00 0.00 O ATOM 203 CB PRO A 14 91.654 -15.691 -3.193 1.00 0.00 C ATOM 204 CG PRO A 14 93.107 -15.527 -2.869 1.00 0.00 C ATOM 205 CD PRO A 14 93.244 -15.101 -1.403 1.00 0.00 C ATOM 0 HA PRO A 14 90.170 -14.513 -2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.445 -16.714 -3.507 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.370 -15.040 -4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.639 -16.462 -3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.557 -14.779 -3.522 1.00 0.00 H new ATOM 0 HD2 PRO A 14 93.813 -15.836 -0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.774 -14.152 -1.318 1.00 0.00 H new ATOM 213 N GLY A 15 88.677 -16.262 -1.391 1.00 0.00 N ATOM 214 CA GLY A 15 87.712 -17.304 -1.051 1.00 0.00 C ATOM 215 C GLY A 15 87.086 -17.043 0.314 1.00 0.00 C ATOM 216 O GLY A 15 86.257 -17.817 0.792 1.00 0.00 O ATOM 0 H GLY A 15 88.262 -15.344 -1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 15 86.932 -17.345 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.206 -18.276 -1.049 1.00 0.00 H new ATOM 220 N LYS A 16 87.554 -15.990 0.974 1.00 0.00 N ATOM 221 CA LYS A 16 87.015 -15.607 2.275 1.00 0.00 C ATOM 222 C LYS A 16 85.992 -14.484 2.133 1.00 0.00 C ATOM 223 O LYS A 16 85.427 -14.285 1.058 1.00 0.00 O ATOM 224 CB LYS A 16 88.158 -15.151 3.187 1.00 0.00 C ATOM 225 CG LYS A 16 88.888 -16.357 3.781 1.00 0.00 C ATOM 226 CD LYS A 16 89.896 -15.878 4.829 1.00 0.00 C ATOM 227 CE LYS A 16 90.502 -17.087 5.545 1.00 0.00 C ATOM 228 NZ LYS A 16 91.484 -17.757 4.646 1.00 0.00 N ATOM 0 H LYS A 16 88.303 -15.388 0.632 1.00 0.00 H new ATOM 0 HA LYS A 16 86.516 -16.472 2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 16 88.859 -14.537 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 16 87.764 -14.527 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.172 -17.041 4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.401 -16.909 2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 16 90.682 -15.293 4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 16 89.405 -15.224 5.549 1.00 0.00 H new ATOM 0 HE2 LYS A 16 90.993 -16.770 6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 16 89.716 -17.787 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 92.063 -18.421 5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 90.976 -18.277 3.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 92.099 -17.041 4.209 1.00 0.00 H new ATOM 242 N THR A 17 85.587 -13.921 3.268 1.00 0.00 N ATOM 243 CA THR A 17 84.616 -12.831 3.293 1.00 0.00 C ATOM 244 C THR A 17 85.153 -11.648 4.091 1.00 0.00 C ATOM 245 O THR A 17 85.939 -11.819 5.022 1.00 0.00 O ATOM 246 CB THR A 17 83.311 -13.322 3.924 1.00 0.00 C ATOM 247 OG1 THR A 17 83.571 -13.784 5.241 1.00 0.00 O ATOM 248 CG2 THR A 17 82.728 -14.466 3.092 1.00 0.00 C ATOM 0 H THR A 17 85.919 -14.205 4.190 1.00 0.00 H new ATOM 0 HA THR A 17 84.433 -12.506 2.269 1.00 0.00 H new ATOM 0 HB THR A 17 82.596 -12.500 3.955 1.00 0.00 H new ATOM 0 HG1 THR A 17 82.737 -14.098 5.648 1.00 0.00 H new ATOM 0 HG21 THR A 17 81.799 -14.810 3.547 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.528 -14.114 2.080 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.441 -15.289 3.055 1.00 0.00 H new ATOM 256 N VAL A 18 84.723 -10.444 3.725 1.00 0.00 N ATOM 257 CA VAL A 18 85.153 -9.232 4.416 1.00 0.00 C ATOM 258 C VAL A 18 84.007 -8.230 4.521 1.00 0.00 C ATOM 259 O VAL A 18 83.152 -8.158 3.638 1.00 0.00 O ATOM 260 CB VAL A 18 86.331 -8.592 3.677 1.00 0.00 C ATOM 261 CG1 VAL A 18 85.850 -7.986 2.357 1.00 0.00 C ATOM 262 CG2 VAL A 18 86.939 -7.495 4.552 1.00 0.00 C ATOM 0 H VAL A 18 84.076 -10.281 2.953 1.00 0.00 H new ATOM 0 HA VAL A 18 85.466 -9.509 5.423 1.00 0.00 H new ATOM 0 HB VAL A 18 87.082 -9.353 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.693 -7.532 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.417 -8.768 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 18 85.096 -7.225 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.779 -7.036 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 18 86.184 -6.737 4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.288 -7.929 5.489 1.00 0.00 H new ATOM 272 N THR A 19 84.001 -7.455 5.603 1.00 0.00 N ATOM 273 CA THR A 19 82.991 -6.425 5.830 1.00 0.00 C ATOM 274 C THR A 19 83.676 -5.070 5.982 1.00 0.00 C ATOM 275 O THR A 19 84.589 -4.916 6.793 1.00 0.00 O ATOM 276 CB THR A 19 82.200 -6.782 7.096 1.00 0.00 C ATOM 277 OG1 THR A 19 81.083 -7.584 6.740 1.00 0.00 O ATOM 278 CG2 THR A 19 81.715 -5.539 7.850 1.00 0.00 C ATOM 0 H THR A 19 84.696 -7.523 6.347 1.00 0.00 H new ATOM 0 HA THR A 19 82.304 -6.370 4.985 1.00 0.00 H new ATOM 0 HB THR A 19 82.869 -7.328 7.761 1.00 0.00 H new ATOM 0 HG1 THR A 19 81.379 -8.322 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.161 -5.845 8.737 1.00 0.00 H new ATOM 0 HG22 THR A 19 82.573 -4.936 8.148 1.00 0.00 H new ATOM 0 HG23 THR A 19 81.066 -4.951 7.202 1.00 0.00 H new ATOM 286 N ILE A 20 83.129 -4.067 5.301 1.00 0.00 N ATOM 287 CA ILE A 20 83.641 -2.702 5.392 1.00 0.00 C ATOM 288 C ILE A 20 82.670 -1.813 6.162 1.00 0.00 C ATOM 289 O ILE A 20 81.456 -1.913 5.988 1.00 0.00 O ATOM 290 CB ILE A 20 83.859 -2.134 3.988 1.00 0.00 C ATOM 291 CG1 ILE A 20 84.894 -2.990 3.253 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.360 -0.692 4.086 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.015 -2.585 1.780 1.00 0.00 C ATOM 0 H ILE A 20 82.329 -4.174 4.678 1.00 0.00 H new ATOM 0 HA ILE A 20 84.591 -2.724 5.926 1.00 0.00 H new ATOM 0 HB ILE A 20 82.917 -2.148 3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 20 85.864 -2.888 3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 20 84.612 -4.041 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.514 -0.291 3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.622 -0.085 4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.302 -0.671 4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.758 -3.214 1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.051 -2.712 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 20 85.322 -1.541 1.714 1.00 0.00 H new ATOM 305 N SER A 21 83.211 -0.933 7.001 1.00 0.00 N ATOM 306 CA SER A 21 82.392 -0.013 7.787 1.00 0.00 C ATOM 307 C SER A 21 82.531 1.414 7.257 1.00 0.00 C ATOM 308 O SER A 21 83.618 1.806 6.834 1.00 0.00 O ATOM 309 CB SER A 21 82.831 -0.080 9.253 1.00 0.00 C ATOM 310 OG SER A 21 82.825 -1.432 9.690 1.00 0.00 O ATOM 0 H SER A 21 84.215 -0.837 7.154 1.00 0.00 H new ATOM 0 HA SER A 21 81.345 -0.304 7.706 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.829 0.344 9.364 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.160 0.516 9.872 1.00 0.00 H new ATOM 0 HG SER A 21 83.108 -1.474 10.627 1.00 0.00 H new ATOM 316 N CYS A 22 81.442 2.184 7.259 1.00 0.00 N ATOM 317 CA CYS A 22 81.443 3.565 6.766 1.00 0.00 C ATOM 318 C CYS A 22 80.761 4.421 7.842 1.00 0.00 C ATOM 319 O CYS A 22 79.656 4.095 8.278 1.00 0.00 O ATOM 320 CB CYS A 22 80.762 3.616 5.375 1.00 0.00 C ATOM 321 SG CYS A 22 81.540 4.703 4.128 1.00 0.00 S ATOM 0 H CYS A 22 80.534 1.870 7.602 1.00 0.00 H new ATOM 0 HA CYS A 22 82.445 3.963 6.608 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.730 2.603 4.973 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.729 3.937 5.512 1.00 0.00 H new ATOM 326 N THR A 23 81.525 5.292 8.509 1.00 0.00 N ATOM 327 CA THR A 23 80.998 6.157 9.566 1.00 0.00 C ATOM 328 C THR A 23 81.216 7.603 9.146 1.00 0.00 C ATOM 329 O THR A 23 82.349 7.993 8.863 1.00 0.00 O ATOM 330 CB THR A 23 81.704 5.958 10.912 1.00 0.00 C ATOM 331 OG1 THR A 23 81.477 4.634 11.373 1.00 0.00 O ATOM 332 CG2 THR A 23 81.178 6.945 11.963 1.00 0.00 C ATOM 0 H THR A 23 82.522 5.416 8.331 1.00 0.00 H new ATOM 0 HA THR A 23 79.945 5.906 9.697 1.00 0.00 H new ATOM 0 HB THR A 23 82.770 6.134 10.767 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.929 4.505 12.233 1.00 0.00 H new ATOM 0 HG21 THR A 23 81.696 6.781 12.908 1.00 0.00 H new ATOM 0 HG22 THR A 23 81.355 7.966 11.624 1.00 0.00 H new ATOM 0 HG23 THR A 23 80.108 6.790 12.104 1.00 0.00 H new ATOM 340 N ARG A 24 80.225 8.441 9.430 1.00 0.00 N ATOM 341 CA ARG A 24 80.384 9.878 9.241 1.00 0.00 C ATOM 342 C ARG A 24 80.510 10.576 10.589 1.00 0.00 C ATOM 343 O ARG A 24 79.767 10.278 11.524 1.00 0.00 O ATOM 344 CB ARG A 24 79.209 10.422 8.423 1.00 0.00 C ATOM 345 CG ARG A 24 78.792 9.354 7.404 1.00 0.00 C ATOM 346 CD ARG A 24 78.180 9.972 6.145 1.00 0.00 C ATOM 347 NE ARG A 24 78.098 8.970 5.089 1.00 0.00 N ATOM 348 CZ ARG A 24 77.704 7.725 5.341 1.00 0.00 C ATOM 349 NH1 ARG A 24 76.449 7.469 5.586 1.00 0.00 N ATOM 350 NH2 ARG A 24 78.557 6.743 5.248 1.00 0.00 N ATOM 0 H ARG A 24 79.314 8.155 9.788 1.00 0.00 H new ATOM 0 HA ARG A 24 81.301 10.077 8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 24 78.373 10.668 9.078 1.00 0.00 H new ATOM 0 HB3 ARG A 24 79.496 11.341 7.913 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.661 8.756 7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.071 8.677 7.863 1.00 0.00 H new ATOM 0 HD2 ARG A 24 77.186 10.361 6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 24 78.786 10.815 5.812 1.00 0.00 H new ATOM 0 HE ARG A 24 78.349 9.230 4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 24 75.765 8.225 5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.152 6.512 5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 24 79.524 6.931 4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 24 78.257 5.787 5.441 1.00 0.00 H new ATOM 364 N SER A 25 81.322 11.625 10.623 1.00 0.00 N ATOM 365 CA SER A 25 81.470 12.435 11.827 1.00 0.00 C ATOM 366 C SER A 25 80.121 12.999 12.262 1.00 0.00 C ATOM 367 O SER A 25 80.058 13.943 13.051 1.00 0.00 O ATOM 368 CB SER A 25 82.487 13.558 11.615 1.00 0.00 C ATOM 369 OG SER A 25 82.030 14.433 10.597 1.00 0.00 O ATOM 0 H SER A 25 81.887 11.935 9.833 1.00 0.00 H new ATOM 0 HA SER A 25 81.846 11.792 12.623 1.00 0.00 H new ATOM 0 HB2 SER A 25 82.632 14.110 12.544 1.00 0.00 H new ATOM 0 HB3 SER A 25 83.454 13.138 11.339 1.00 0.00 H new ATOM 0 HG SER A 25 82.390 14.145 9.732 1.00 0.00 H new ATOM 375 N SER A 26 79.079 12.590 11.545 1.00 0.00 N ATOM 376 CA SER A 26 77.733 13.108 11.760 1.00 0.00 C ATOM 377 C SER A 26 76.890 12.064 12.487 1.00 0.00 C ATOM 378 O SER A 26 75.867 12.387 13.091 1.00 0.00 O ATOM 379 CB SER A 26 77.132 13.464 10.396 1.00 0.00 C ATOM 380 OG SER A 26 76.729 14.826 10.402 1.00 0.00 O ATOM 0 H SER A 26 79.143 11.894 10.802 1.00 0.00 H new ATOM 0 HA SER A 26 77.757 14.003 12.382 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.864 13.293 9.607 1.00 0.00 H new ATOM 0 HB3 SER A 26 76.278 12.821 10.183 1.00 0.00 H new ATOM 0 HG SER A 26 76.346 15.058 9.530 1.00 0.00 H new ATOM 386 N GLY A 27 77.348 10.816 12.454 1.00 0.00 N ATOM 387 CA GLY A 27 76.641 9.726 13.117 1.00 0.00 C ATOM 388 C GLY A 27 75.448 9.254 12.291 1.00 0.00 C ATOM 389 O GLY A 27 75.138 8.063 12.264 1.00 0.00 O ATOM 0 H GLY A 27 78.204 10.535 11.976 1.00 0.00 H new ATOM 0 HA2 GLY A 27 77.325 8.893 13.281 1.00 0.00 H new ATOM 0 HA3 GLY A 27 76.299 10.055 14.098 1.00 0.00 H new ATOM 393 N SER A 28 74.832 10.178 11.562 1.00 0.00 N ATOM 394 CA SER A 28 73.670 9.859 10.738 1.00 0.00 C ATOM 395 C SER A 28 74.053 8.967 9.562 1.00 0.00 C ATOM 396 O SER A 28 74.833 9.370 8.699 1.00 0.00 O ATOM 397 CB SER A 28 73.051 11.153 10.207 1.00 0.00 C ATOM 398 OG SER A 28 72.847 12.050 11.288 1.00 0.00 O ATOM 0 H SER A 28 75.118 11.156 11.524 1.00 0.00 H new ATOM 0 HA SER A 28 72.951 9.323 11.358 1.00 0.00 H new ATOM 0 HB2 SER A 28 73.706 11.605 9.462 1.00 0.00 H new ATOM 0 HB3 SER A 28 72.104 10.941 9.711 1.00 0.00 H new ATOM 0 HG SER A 28 72.452 12.882 10.953 1.00 0.00 H new ATOM 404 N ILE A 29 73.619 7.710 9.605 1.00 0.00 N ATOM 405 CA ILE A 29 73.956 6.744 8.563 1.00 0.00 C ATOM 406 C ILE A 29 72.745 5.928 8.129 1.00 0.00 C ATOM 407 O ILE A 29 72.270 6.070 7.003 1.00 0.00 O ATOM 408 CB ILE A 29 75.023 5.773 9.075 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.650 5.253 10.476 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.404 6.450 9.091 1.00 0.00 C ATOM 411 CD1 ILE A 29 74.147 3.805 10.482 1.00 0.00 C ATOM 0 H ILE A 29 73.033 7.336 10.351 1.00 0.00 H new ATOM 0 HA ILE A 29 74.324 7.313 7.709 1.00 0.00 H new ATOM 0 HB ILE A 29 75.071 4.920 8.398 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.522 5.328 11.126 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.880 5.898 10.900 1.00 0.00 H new ATOM 0 HG21 ILE A 29 77.150 5.745 9.458 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.667 6.764 8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.375 7.321 9.746 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.904 3.509 11.502 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.256 3.727 9.859 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.923 3.149 10.089 1.00 0.00 H new ATOM 423 N ALA A 30 72.183 5.165 9.063 1.00 0.00 N ATOM 424 CA ALA A 30 71.023 4.341 8.746 1.00 0.00 C ATOM 425 C ALA A 30 69.887 5.271 8.345 1.00 0.00 C ATOM 426 O ALA A 30 68.748 4.857 8.140 1.00 0.00 O ATOM 427 CB ALA A 30 70.584 3.530 9.969 1.00 0.00 C ATOM 0 H ALA A 30 72.506 5.101 10.028 1.00 0.00 H new ATOM 0 HA ALA A 30 71.277 3.650 7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.717 2.922 9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.400 2.881 10.287 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.322 4.209 10.781 1.00 0.00 H new ATOM 433 N SER A 31 70.215 6.555 8.400 1.00 0.00 N ATOM 434 CA SER A 31 69.269 7.617 8.070 1.00 0.00 C ATOM 435 C SER A 31 69.468 8.131 6.649 1.00 0.00 C ATOM 436 O SER A 31 68.525 8.604 6.015 1.00 0.00 O ATOM 437 CB SER A 31 69.392 8.773 9.065 1.00 0.00 C ATOM 438 OG SER A 31 70.760 9.097 9.256 1.00 0.00 O ATOM 0 H SER A 31 71.139 6.890 8.673 1.00 0.00 H new ATOM 0 HA SER A 31 68.268 7.191 8.135 1.00 0.00 H new ATOM 0 HB2 SER A 31 68.851 9.643 8.694 1.00 0.00 H new ATOM 0 HB3 SER A 31 68.938 8.496 10.016 1.00 0.00 H new ATOM 0 HG SER A 31 70.956 9.138 10.215 1.00 0.00 H new ATOM 444 N ASN A 32 70.681 7.981 6.127 1.00 0.00 N ATOM 445 CA ASN A 32 71.014 8.532 4.818 1.00 0.00 C ATOM 446 C ASN A 32 71.464 7.409 3.892 1.00 0.00 C ATOM 447 O ASN A 32 71.993 6.396 4.349 1.00 0.00 O ATOM 448 CB ASN A 32 72.152 9.546 4.952 1.00 0.00 C ATOM 449 CG ASN A 32 73.393 8.882 5.542 1.00 0.00 C ATOM 450 OD1 ASN A 32 73.725 7.750 5.193 1.00 0.00 O ATOM 451 ND2 ASN A 32 74.125 9.537 6.401 1.00 0.00 N ATOM 0 H ASN A 32 71.445 7.486 6.587 1.00 0.00 H new ATOM 0 HA ASN A 32 70.132 9.024 4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 32 72.388 9.968 3.975 1.00 0.00 H new ATOM 0 HB3 ASN A 32 71.837 10.373 5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 32 74.970 9.110 6.781 1.00 0.00 H new ATOM 0 HD22 ASN A 32 73.852 10.476 6.692 1.00 0.00 H new ATOM 458 N TYR A 33 71.163 7.561 2.606 1.00 0.00 N ATOM 459 CA TYR A 33 71.487 6.528 1.629 1.00 0.00 C ATOM 460 C TYR A 33 72.993 6.491 1.404 1.00 0.00 C ATOM 461 O TYR A 33 73.669 7.516 1.493 1.00 0.00 O ATOM 462 CB TYR A 33 70.787 6.804 0.297 1.00 0.00 C ATOM 463 CG TYR A 33 69.294 6.852 0.513 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.574 5.666 0.702 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.626 8.083 0.521 1.00 0.00 C ATOM 466 CE1 TYR A 33 67.184 5.707 0.865 1.00 0.00 C ATOM 467 CE2 TYR A 33 67.241 8.125 0.720 1.00 0.00 C ATOM 468 CZ TYR A 33 66.523 6.939 0.918 1.00 0.00 C ATOM 469 OH TYR A 33 65.152 6.981 1.074 1.00 0.00 O ATOM 0 H TYR A 33 70.699 8.383 2.219 1.00 0.00 H new ATOM 0 HA TYR A 33 71.144 5.568 2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 33 71.135 7.749 -0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 33 71.036 6.026 -0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 33 69.092 4.718 0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 33 69.179 8.999 0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.622 4.788 0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.725 9.074 0.721 1.00 0.00 H new ATOM 0 HH TYR A 33 64.853 7.914 1.092 1.00 0.00 H new ATOM 479 N VAL A 34 73.526 5.294 1.190 1.00 0.00 N ATOM 480 CA VAL A 34 74.961 5.131 0.985 1.00 0.00 C ATOM 481 C VAL A 34 75.223 4.307 -0.270 1.00 0.00 C ATOM 482 O VAL A 34 74.619 3.256 -0.481 1.00 0.00 O ATOM 483 CB VAL A 34 75.586 4.461 2.213 1.00 0.00 C ATOM 484 CG1 VAL A 34 77.087 4.759 2.267 1.00 0.00 C ATOM 485 CG2 VAL A 34 74.916 4.992 3.482 1.00 0.00 C ATOM 0 H VAL A 34 72.990 4.427 1.154 1.00 0.00 H new ATOM 0 HA VAL A 34 75.418 6.111 0.851 1.00 0.00 H new ATOM 0 HB VAL A 34 75.438 3.383 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 34 77.522 4.278 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 34 77.567 4.375 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 34 77.242 5.836 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.361 4.515 4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 34 75.060 6.071 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 34 73.849 4.769 3.451 1.00 0.00 H new ATOM 495 N GLN A 35 76.208 4.733 -1.054 1.00 0.00 N ATOM 496 CA GLN A 35 76.540 4.039 -2.293 1.00 0.00 C ATOM 497 C GLN A 35 77.988 3.571 -2.245 1.00 0.00 C ATOM 498 O GLN A 35 78.786 4.119 -1.488 1.00 0.00 O ATOM 499 CB GLN A 35 76.377 4.977 -3.490 1.00 0.00 C ATOM 500 CG GLN A 35 77.209 6.246 -3.297 1.00 0.00 C ATOM 501 CD GLN A 35 77.056 7.150 -4.516 1.00 0.00 C ATOM 502 OE1 GLN A 35 77.913 7.992 -4.782 1.00 0.00 O ATOM 503 NE2 GLN A 35 76.020 7.000 -5.293 1.00 0.00 N ATOM 0 H GLN A 35 76.786 5.549 -0.856 1.00 0.00 H new ATOM 0 HA GLN A 35 75.868 3.187 -2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.687 4.468 -4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 35 75.326 5.240 -3.613 1.00 0.00 H new ATOM 0 HG2 GLN A 35 76.885 6.772 -2.399 1.00 0.00 H new ATOM 0 HG3 GLN A 35 78.258 5.987 -3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 35 75.312 6.301 -5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 35 75.918 7.582 -6.125 1.00 0.00 H new ATOM 512 N TRP A 36 78.296 2.492 -2.959 1.00 0.00 N ATOM 513 CA TRP A 36 79.651 1.952 -2.966 1.00 0.00 C ATOM 514 C TRP A 36 80.191 1.908 -4.390 1.00 0.00 C ATOM 515 O TRP A 36 79.506 1.473 -5.315 1.00 0.00 O ATOM 516 CB TRP A 36 79.637 0.542 -2.376 1.00 0.00 C ATOM 517 CG TRP A 36 79.097 0.595 -0.983 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.800 0.803 -0.660 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.810 0.416 0.277 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.668 0.763 0.714 1.00 0.00 N ATOM 521 CE2 TRP A 36 78.878 0.543 1.338 1.00 0.00 C ATOM 522 CE3 TRP A 36 81.158 0.189 0.605 1.00 0.00 C ATOM 523 CZ2 TRP A 36 79.271 0.426 2.675 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.558 0.090 1.944 1.00 0.00 C ATOM 525 CH2 TRP A 36 80.614 0.169 2.975 1.00 0.00 C ATOM 0 H TRP A 36 77.631 1.978 -3.536 1.00 0.00 H new ATOM 0 HA TRP A 36 80.296 2.594 -2.365 1.00 0.00 H new ATOM 0 HB2 TRP A 36 79.024 -0.116 -2.991 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.645 0.127 -2.372 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.998 0.973 -1.363 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.783 0.882 1.207 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.891 0.090 -0.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.546 0.533 3.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.602 -0.048 2.183 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.922 0.032 4.001 1.00 0.00 H new ATOM 536 N TYR A 37 81.421 2.385 -4.556 1.00 0.00 N ATOM 537 CA TYR A 37 82.066 2.424 -5.864 1.00 0.00 C ATOM 538 C TYR A 37 83.460 1.811 -5.772 1.00 0.00 C ATOM 539 O TYR A 37 84.180 2.022 -4.796 1.00 0.00 O ATOM 540 CB TYR A 37 82.147 3.872 -6.361 1.00 0.00 C ATOM 541 CG TYR A 37 80.853 4.275 -7.031 1.00 0.00 C ATOM 542 CD1 TYR A 37 79.751 4.665 -6.259 1.00 0.00 C ATOM 543 CD2 TYR A 37 80.743 4.226 -8.426 1.00 0.00 C ATOM 544 CE1 TYR A 37 78.551 5.028 -6.884 1.00 0.00 C ATOM 545 CE2 TYR A 37 79.548 4.603 -9.051 1.00 0.00 C ATOM 546 CZ TYR A 37 78.444 4.983 -8.279 1.00 0.00 C ATOM 547 OH TYR A 37 77.266 5.349 -8.897 1.00 0.00 O ATOM 0 H TYR A 37 81.994 2.752 -3.796 1.00 0.00 H new ATOM 0 HA TYR A 37 81.477 1.844 -6.575 1.00 0.00 H new ATOM 0 HB2 TYR A 37 82.353 4.539 -5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 37 82.975 3.976 -7.063 1.00 0.00 H new ATOM 0 HD1 TYR A 37 79.827 4.686 -5.182 1.00 0.00 H new ATOM 0 HD2 TYR A 37 81.582 3.897 -9.021 1.00 0.00 H new ATOM 0 HE1 TYR A 37 77.707 5.343 -6.289 1.00 0.00 H new ATOM 0 HE2 TYR A 37 79.478 4.601 -10.129 1.00 0.00 H new ATOM 0 HH TYR A 37 76.910 4.587 -9.400 1.00 0.00 H new ATOM 557 N GLN A 38 83.904 1.202 -6.867 1.00 0.00 N ATOM 558 CA GLN A 38 85.210 0.552 -6.895 1.00 0.00 C ATOM 559 C GLN A 38 86.063 1.258 -7.943 1.00 0.00 C ATOM 560 O GLN A 38 85.650 1.414 -9.093 1.00 0.00 O ATOM 561 CB GLN A 38 85.087 -0.940 -7.240 1.00 0.00 C ATOM 562 CG GLN A 38 83.658 -1.447 -7.025 1.00 0.00 C ATOM 563 CD GLN A 38 83.325 -1.472 -5.537 1.00 0.00 C ATOM 564 OE1 GLN A 38 82.707 -0.546 -5.015 1.00 0.00 O ATOM 565 NE2 GLN A 38 83.659 -2.518 -4.833 1.00 0.00 N ATOM 0 H GLN A 38 83.383 1.145 -7.742 1.00 0.00 H new ATOM 0 HA GLN A 38 85.669 0.621 -5.909 1.00 0.00 H new ATOM 0 HB2 GLN A 38 85.379 -1.100 -8.278 1.00 0.00 H new ATOM 0 HB3 GLN A 38 85.776 -1.516 -6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.953 -0.804 -7.552 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.552 -2.447 -7.445 1.00 0.00 H new ATOM 0 HE21 GLN A 38 84.172 -3.284 -5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 38 83.408 -2.570 -3.846 1.00 0.00 H new ATOM 574 N GLN A 39 87.313 1.527 -7.583 1.00 0.00 N ATOM 575 CA GLN A 39 88.245 2.191 -8.486 1.00 0.00 C ATOM 576 C GLN A 39 89.468 1.306 -8.686 1.00 0.00 C ATOM 577 O GLN A 39 90.058 0.818 -7.722 1.00 0.00 O ATOM 578 CB GLN A 39 88.676 3.542 -7.907 1.00 0.00 C ATOM 579 CG GLN A 39 89.741 4.202 -8.797 1.00 0.00 C ATOM 580 CD GLN A 39 89.374 5.650 -9.107 1.00 0.00 C ATOM 581 OE1 GLN A 39 89.750 6.562 -8.370 1.00 0.00 O ATOM 582 NE2 GLN A 39 88.545 5.898 -10.084 1.00 0.00 N ATOM 0 H GLN A 39 87.705 1.295 -6.670 1.00 0.00 H new ATOM 0 HA GLN A 39 87.753 2.362 -9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.810 4.199 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 39 89.072 3.402 -6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 39 90.709 4.167 -8.298 1.00 0.00 H new ATOM 0 HG3 GLN A 39 89.841 3.642 -9.727 1.00 0.00 H new ATOM 0 HE21 GLN A 39 88.234 5.142 -10.694 1.00 0.00 H new ATOM 0 HE22 GLN A 39 88.208 6.848 -10.238 1.00 0.00 H new ATOM 591 N ARG A 40 89.884 1.161 -9.940 1.00 0.00 N ATOM 592 CA ARG A 40 91.043 0.336 -10.263 1.00 0.00 C ATOM 593 C ARG A 40 91.765 0.936 -11.469 1.00 0.00 C ATOM 594 O ARG A 40 91.124 1.515 -12.346 1.00 0.00 O ATOM 595 CB ARG A 40 90.630 -1.118 -10.538 1.00 0.00 C ATOM 596 CG ARG A 40 89.133 -1.317 -10.277 1.00 0.00 C ATOM 597 CD ARG A 40 88.702 -2.695 -10.781 1.00 0.00 C ATOM 598 NE ARG A 40 89.228 -3.740 -9.910 1.00 0.00 N ATOM 599 CZ ARG A 40 89.624 -4.911 -10.398 1.00 0.00 C ATOM 600 NH1 ARG A 40 90.848 -5.060 -10.826 1.00 0.00 N ATOM 601 NH2 ARG A 40 88.793 -5.916 -10.440 1.00 0.00 N ATOM 0 H ARG A 40 89.439 1.601 -10.745 1.00 0.00 H new ATOM 0 HA ARG A 40 91.719 0.323 -9.408 1.00 0.00 H new ATOM 0 HB2 ARG A 40 90.861 -1.377 -11.571 1.00 0.00 H new ATOM 0 HB3 ARG A 40 91.207 -1.791 -9.904 1.00 0.00 H new ATOM 0 HG2 ARG A 40 88.925 -1.227 -9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 40 88.559 -0.539 -10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 40 87.614 -2.754 -10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 40 89.061 -2.846 -11.799 1.00 0.00 H new ATOM 0 HE ARG A 40 89.293 -3.569 -8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 40 91.501 -4.278 -10.786 1.00 0.00 H new ATOM 0 HH12 ARG A 40 91.151 -5.959 -11.200 1.00 0.00 H new ATOM 0 HH21 ARG A 40 87.839 -5.803 -10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 40 89.098 -6.814 -10.815 1.00 0.00 H new ATOM 658 N PRO A 45 85.215 4.270 -12.058 1.00 0.00 N ATOM 659 CA PRO A 45 84.338 3.933 -10.901 1.00 0.00 C ATOM 660 C PRO A 45 83.121 3.132 -11.352 1.00 0.00 C ATOM 661 O PRO A 45 82.423 3.534 -12.282 1.00 0.00 O ATOM 662 CB PRO A 45 83.922 5.293 -10.322 1.00 0.00 C ATOM 663 CG PRO A 45 84.571 6.347 -11.164 1.00 0.00 C ATOM 664 CD PRO A 45 85.657 5.671 -12.003 1.00 0.00 C ATOM 0 HA PRO A 45 84.847 3.311 -10.165 1.00 0.00 H new ATOM 0 HB2 PRO A 45 82.838 5.402 -10.336 1.00 0.00 H new ATOM 0 HB3 PRO A 45 84.238 5.382 -9.283 1.00 0.00 H new ATOM 0 HG2 PRO A 45 83.835 6.829 -11.808 1.00 0.00 H new ATOM 0 HG3 PRO A 45 85.003 7.126 -10.536 1.00 0.00 H new ATOM 0 HD2 PRO A 45 85.729 6.110 -12.998 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.640 5.765 -11.541 1.00 0.00 H new ATOM 672 N THR A 46 82.844 2.024 -10.669 1.00 0.00 N ATOM 673 CA THR A 46 81.704 1.176 -11.003 1.00 0.00 C ATOM 674 C THR A 46 80.769 1.046 -9.804 1.00 0.00 C ATOM 675 O THR A 46 81.190 0.638 -8.721 1.00 0.00 O ATOM 676 CB THR A 46 82.192 -0.214 -11.421 1.00 0.00 C ATOM 677 OG1 THR A 46 83.048 -0.727 -10.411 1.00 0.00 O ATOM 678 CG2 THR A 46 82.960 -0.149 -12.747 1.00 0.00 C ATOM 0 H THR A 46 83.396 1.692 -9.878 1.00 0.00 H new ATOM 0 HA THR A 46 81.161 1.635 -11.829 1.00 0.00 H new ATOM 0 HB THR A 46 81.326 -0.863 -11.553 1.00 0.00 H new ATOM 0 HG1 THR A 46 82.739 -0.420 -9.533 1.00 0.00 H new ATOM 0 HG21 THR A 46 83.296 -1.149 -13.022 1.00 0.00 H new ATOM 0 HG22 THR A 46 82.307 0.242 -13.527 1.00 0.00 H new ATOM 0 HG23 THR A 46 83.824 0.506 -12.635 1.00 0.00 H new ATOM 686 N THR A 47 79.520 1.465 -9.980 1.00 0.00 N ATOM 687 CA THR A 47 78.534 1.368 -8.908 1.00 0.00 C ATOM 688 C THR A 47 78.302 -0.086 -8.515 1.00 0.00 C ATOM 689 O THR A 47 77.821 -0.880 -9.324 1.00 0.00 O ATOM 690 CB THR A 47 77.211 1.982 -9.375 1.00 0.00 C ATOM 691 OG1 THR A 47 77.479 3.235 -9.988 1.00 0.00 O ATOM 692 CG2 THR A 47 76.242 2.186 -8.204 1.00 0.00 C ATOM 0 H THR A 47 79.168 1.872 -10.847 1.00 0.00 H new ATOM 0 HA THR A 47 78.912 1.908 -8.040 1.00 0.00 H new ATOM 0 HB THR A 47 76.743 1.299 -10.084 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.209 3.683 -9.512 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.314 2.623 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.030 1.225 -7.736 1.00 0.00 H new ATOM 0 HG23 THR A 47 76.693 2.855 -7.471 1.00 0.00 H new ATOM 700 N VAL A 48 78.611 -0.433 -7.266 1.00 0.00 N ATOM 701 CA VAL A 48 78.473 -1.824 -6.840 1.00 0.00 C ATOM 702 C VAL A 48 77.230 -2.028 -5.978 1.00 0.00 C ATOM 703 O VAL A 48 76.586 -3.071 -6.091 1.00 0.00 O ATOM 704 CB VAL A 48 79.738 -2.214 -6.059 1.00 0.00 C ATOM 705 CG1 VAL A 48 79.435 -3.160 -4.893 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.752 -2.897 -6.982 1.00 0.00 C ATOM 0 H VAL A 48 78.949 0.209 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 48 78.357 -2.459 -7.719 1.00 0.00 H new ATOM 0 HB VAL A 48 80.149 -1.287 -5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 48 80.361 -3.405 -4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.748 -2.675 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.980 -4.074 -5.275 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.641 -3.166 -6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.308 -3.797 -7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 48 81.030 -2.215 -7.786 1.00 0.00 H new ATOM 716 N ILE A 49 76.791 -1.001 -5.254 1.00 0.00 N ATOM 717 CA ILE A 49 75.585 -1.098 -4.446 1.00 0.00 C ATOM 718 C ILE A 49 74.874 0.252 -4.461 1.00 0.00 C ATOM 719 O ILE A 49 75.483 1.279 -4.162 1.00 0.00 O ATOM 720 CB ILE A 49 75.953 -1.531 -3.022 1.00 0.00 C ATOM 721 CG1 ILE A 49 76.127 -3.051 -2.973 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.851 -1.118 -2.043 1.00 0.00 C ATOM 723 CD1 ILE A 49 76.837 -3.447 -1.678 1.00 0.00 C ATOM 0 H ILE A 49 77.255 -0.093 -5.212 1.00 0.00 H new ATOM 0 HA ILE A 49 74.908 -1.849 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 49 76.886 -1.045 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 49 75.155 -3.540 -3.030 1.00 0.00 H new ATOM 0 HG13 ILE A 49 76.705 -3.389 -3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.124 -1.431 -1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.731 -0.035 -2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.913 -1.594 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 49 76.959 -4.530 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 49 77.816 -2.970 -1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 49 76.242 -3.124 -0.824 1.00 0.00 H new ATOM 735 N TYR A 50 73.554 0.212 -4.617 1.00 0.00 N ATOM 736 CA TYR A 50 72.730 1.415 -4.579 1.00 0.00 C ATOM 737 C TYR A 50 71.633 1.254 -3.532 1.00 0.00 C ATOM 738 O TYR A 50 71.507 0.200 -2.910 1.00 0.00 O ATOM 739 CB TYR A 50 72.108 1.646 -5.960 1.00 0.00 C ATOM 740 CG TYR A 50 71.756 3.103 -6.144 1.00 0.00 C ATOM 741 CD1 TYR A 50 70.504 3.586 -5.744 1.00 0.00 C ATOM 742 CD2 TYR A 50 72.674 3.962 -6.762 1.00 0.00 C ATOM 743 CE1 TYR A 50 70.186 4.938 -5.923 1.00 0.00 C ATOM 744 CE2 TYR A 50 72.368 5.320 -6.910 1.00 0.00 C ATOM 745 CZ TYR A 50 71.121 5.806 -6.500 1.00 0.00 C ATOM 746 OH TYR A 50 70.813 7.140 -6.670 1.00 0.00 O ATOM 0 H TYR A 50 73.029 -0.649 -4.772 1.00 0.00 H new ATOM 0 HA TYR A 50 73.347 2.273 -4.314 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.806 1.333 -6.737 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.213 1.033 -6.070 1.00 0.00 H new ATOM 0 HD1 TYR A 50 69.784 2.916 -5.298 1.00 0.00 H new ATOM 0 HD2 TYR A 50 73.616 3.577 -7.124 1.00 0.00 H new ATOM 0 HE1 TYR A 50 69.220 5.311 -5.616 1.00 0.00 H new ATOM 0 HE2 TYR A 50 73.094 5.993 -7.341 1.00 0.00 H new ATOM 0 HH TYR A 50 71.573 7.601 -7.083 1.00 0.00 H new ATOM 756 N GLU A 51 70.996 2.369 -3.196 1.00 0.00 N ATOM 757 CA GLU A 51 70.058 2.425 -2.080 1.00 0.00 C ATOM 758 C GLU A 51 70.617 1.711 -0.856 1.00 0.00 C ATOM 759 O GLU A 51 69.878 1.205 -0.012 1.00 0.00 O ATOM 760 CB GLU A 51 68.820 1.641 -2.530 1.00 0.00 C ATOM 761 CG GLU A 51 67.696 1.745 -1.488 1.00 0.00 C ATOM 762 CD GLU A 51 66.419 2.317 -2.097 1.00 0.00 C ATOM 763 OE1 GLU A 51 65.799 1.624 -2.886 1.00 0.00 O ATOM 764 OE2 GLU A 51 66.123 3.467 -1.817 1.00 0.00 O ATOM 0 H GLU A 51 71.114 3.256 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 51 69.852 3.463 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.470 2.025 -3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.083 0.594 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.492 0.758 -1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.022 2.378 -0.662 1.00 0.00 H new ATOM 771 N ASP A 52 71.937 1.598 -0.838 1.00 0.00 N ATOM 772 CA ASP A 52 72.685 0.943 0.230 1.00 0.00 C ATOM 773 C ASP A 52 71.954 -0.340 0.604 1.00 0.00 C ATOM 774 O ASP A 52 72.340 -1.006 1.565 1.00 0.00 O ATOM 775 CB ASP A 52 72.729 1.829 1.482 1.00 0.00 C ATOM 776 CG ASP A 52 71.348 2.398 1.786 1.00 0.00 C ATOM 777 OD1 ASP A 52 70.975 3.367 1.145 1.00 0.00 O ATOM 778 OD2 ASP A 52 70.662 1.825 2.617 1.00 0.00 O ATOM 0 H ASP A 52 72.532 1.966 -1.580 1.00 0.00 H new ATOM 0 HA ASP A 52 73.700 0.749 -0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.084 1.248 2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.439 2.643 1.333 1.00 0.00 H new ATOM 783 N ASN A 53 71.076 -0.807 -0.278 1.00 0.00 N ATOM 784 CA ASN A 53 70.487 -2.132 -0.169 1.00 0.00 C ATOM 785 C ASN A 53 70.611 -2.897 -1.479 1.00 0.00 C ATOM 786 O ASN A 53 70.756 -4.118 -1.492 1.00 0.00 O ATOM 787 CB ASN A 53 69.041 -1.934 0.292 1.00 0.00 C ATOM 788 CG ASN A 53 68.164 -3.111 -0.112 1.00 0.00 C ATOM 789 OD1 ASN A 53 67.735 -3.887 0.741 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.855 -3.259 -1.370 1.00 0.00 N ATOM 0 H ASN A 53 70.755 -0.276 -1.087 1.00 0.00 H new ATOM 0 HA ASN A 53 71.013 -2.749 0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 53 69.016 -1.814 1.375 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.642 -1.016 -0.140 1.00 0.00 H new ATOM 0 HD21 ASN A 53 67.249 -4.027 -1.659 1.00 0.00 H new ATOM 0 HD22 ASN A 53 68.219 -2.607 -2.065 1.00 0.00 H new ATOM 797 N GLN A 54 70.250 -2.180 -2.543 1.00 0.00 N ATOM 798 CA GLN A 54 70.029 -2.797 -3.845 1.00 0.00 C ATOM 799 C GLN A 54 71.303 -2.662 -4.669 1.00 0.00 C ATOM 800 O GLN A 54 72.103 -1.762 -4.414 1.00 0.00 O ATOM 801 CB GLN A 54 68.835 -2.168 -4.574 1.00 0.00 C ATOM 802 CG GLN A 54 69.208 -0.820 -5.203 1.00 0.00 C ATOM 803 CD GLN A 54 69.604 -0.980 -6.668 1.00 0.00 C ATOM 804 OE1 GLN A 54 68.778 -0.766 -7.555 1.00 0.00 O ATOM 805 NE2 GLN A 54 70.836 -1.275 -6.980 1.00 0.00 N ATOM 0 H GLN A 54 70.105 -1.171 -2.526 1.00 0.00 H new ATOM 0 HA GLN A 54 69.789 -3.851 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 54 68.482 -2.847 -5.350 1.00 0.00 H new ATOM 0 HB3 GLN A 54 68.012 -2.029 -3.873 1.00 0.00 H new ATOM 0 HG2 GLN A 54 68.364 -0.135 -5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 54 70.033 -0.374 -4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.520 -1.452 -6.244 1.00 0.00 H new ATOM 0 HE22 GLN A 54 71.115 -1.328 -7.960 1.00 0.00 H new ATOM 814 N ARG A 55 71.547 -3.603 -5.576 1.00 0.00 N ATOM 815 CA ARG A 55 72.740 -3.548 -6.419 1.00 0.00 C ATOM 816 C ARG A 55 72.372 -3.864 -7.867 1.00 0.00 C ATOM 817 O ARG A 55 71.520 -4.720 -8.104 1.00 0.00 O ATOM 818 CB ARG A 55 73.792 -4.546 -5.923 1.00 0.00 C ATOM 819 CG ARG A 55 73.119 -5.821 -5.403 1.00 0.00 C ATOM 820 CD ARG A 55 72.667 -5.659 -3.946 1.00 0.00 C ATOM 821 NE ARG A 55 71.326 -6.206 -3.770 1.00 0.00 N ATOM 822 CZ ARG A 55 71.124 -7.360 -3.144 1.00 0.00 C ATOM 823 NH1 ARG A 55 71.892 -7.700 -2.146 1.00 0.00 N ATOM 824 NH2 ARG A 55 70.127 -8.126 -3.489 1.00 0.00 N ATOM 0 H ARG A 55 70.942 -4.406 -5.747 1.00 0.00 H new ATOM 0 HA ARG A 55 73.156 -2.542 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 55 74.477 -4.794 -6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 55 74.387 -4.092 -5.130 1.00 0.00 H new ATOM 0 HG2 ARG A 55 72.259 -6.062 -6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 55 73.813 -6.658 -5.480 1.00 0.00 H new ATOM 0 HD2 ARG A 55 73.365 -6.169 -3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 55 72.677 -4.605 -3.670 1.00 0.00 H new ATOM 0 HE ARG A 55 70.525 -5.691 -4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 55 72.645 -7.080 -1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 55 71.739 -8.586 -1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 55 69.500 -7.840 -4.241 1.00 0.00 H new ATOM 0 HH22 ARG A 55 69.974 -9.012 -3.007 1.00 0.00 H new ATOM 838 N PRO A 56 73.055 -3.296 -8.830 1.00 0.00 N ATOM 839 CA PRO A 56 72.759 -3.566 -10.265 1.00 0.00 C ATOM 840 C PRO A 56 72.953 -5.044 -10.593 1.00 0.00 C ATOM 841 O PRO A 56 73.792 -5.718 -9.994 1.00 0.00 O ATOM 842 CB PRO A 56 73.729 -2.683 -11.062 1.00 0.00 C ATOM 843 CG PRO A 56 74.602 -1.962 -10.084 1.00 0.00 C ATOM 844 CD PRO A 56 74.111 -2.282 -8.669 1.00 0.00 C ATOM 0 HA PRO A 56 71.723 -3.337 -10.513 1.00 0.00 H new ATOM 0 HB2 PRO A 56 74.332 -3.291 -11.736 1.00 0.00 H new ATOM 0 HB3 PRO A 56 73.179 -1.972 -11.679 1.00 0.00 H new ATOM 0 HG2 PRO A 56 75.641 -2.270 -10.204 1.00 0.00 H new ATOM 0 HG3 PRO A 56 74.566 -0.888 -10.264 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.924 -2.659 -8.049 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.724 -1.389 -8.178 1.00 0.00 H new ATOM 852 N SER A 57 72.153 -5.547 -11.527 1.00 0.00 N ATOM 853 CA SER A 57 72.277 -6.935 -11.960 1.00 0.00 C ATOM 854 C SER A 57 73.588 -7.155 -12.707 1.00 0.00 C ATOM 855 O SER A 57 73.984 -8.292 -12.961 1.00 0.00 O ATOM 856 CB SER A 57 71.102 -7.308 -12.866 1.00 0.00 C ATOM 857 OG SER A 57 69.893 -6.878 -12.259 1.00 0.00 O ATOM 0 H SER A 57 71.417 -5.019 -11.996 1.00 0.00 H new ATOM 0 HA SER A 57 72.269 -7.570 -11.074 1.00 0.00 H new ATOM 0 HB2 SER A 57 71.218 -6.841 -13.844 1.00 0.00 H new ATOM 0 HB3 SER A 57 71.079 -8.386 -13.028 1.00 0.00 H new ATOM 0 HG SER A 57 69.136 -7.113 -12.836 1.00 0.00 H new ATOM 863 N GLY A 58 74.226 -6.060 -13.108 1.00 0.00 N ATOM 864 CA GLY A 58 75.489 -6.144 -13.830 1.00 0.00 C ATOM 865 C GLY A 58 76.590 -6.681 -12.923 1.00 0.00 C ATOM 866 O GLY A 58 77.411 -7.496 -13.345 1.00 0.00 O ATOM 0 H GLY A 58 73.891 -5.110 -12.946 1.00 0.00 H new ATOM 0 HA2 GLY A 58 75.376 -6.794 -14.698 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.767 -5.159 -14.204 1.00 0.00 H new ATOM 870 N VAL A 59 76.668 -6.142 -11.709 1.00 0.00 N ATOM 871 CA VAL A 59 77.731 -6.520 -10.784 1.00 0.00 C ATOM 872 C VAL A 59 77.255 -7.648 -9.869 1.00 0.00 C ATOM 873 O VAL A 59 76.124 -7.602 -9.383 1.00 0.00 O ATOM 874 CB VAL A 59 78.119 -5.305 -9.939 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.513 -4.152 -10.866 1.00 0.00 C ATOM 876 CG2 VAL A 59 76.937 -4.896 -9.054 1.00 0.00 C ATOM 0 H VAL A 59 76.014 -5.449 -11.346 1.00 0.00 H new ATOM 0 HA VAL A 59 78.595 -6.866 -11.352 1.00 0.00 H new ATOM 0 HB VAL A 59 78.966 -5.554 -9.299 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.790 -3.283 -10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.360 -4.454 -11.483 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.670 -3.897 -11.508 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.215 -4.030 -8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.083 -4.642 -9.682 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.671 -5.724 -8.397 1.00 0.00 H new ATOM 886 N PRO A 60 78.084 -8.609 -9.553 1.00 0.00 N ATOM 887 CA PRO A 60 77.651 -9.757 -8.705 1.00 0.00 C ATOM 888 C PRO A 60 77.170 -9.293 -7.333 1.00 0.00 C ATOM 889 O PRO A 60 77.694 -8.321 -6.792 1.00 0.00 O ATOM 890 CB PRO A 60 78.894 -10.647 -8.570 1.00 0.00 C ATOM 891 CG PRO A 60 79.992 -10.024 -9.374 1.00 0.00 C ATOM 892 CD PRO A 60 79.424 -8.820 -10.129 1.00 0.00 C ATOM 0 HA PRO A 60 76.810 -10.286 -9.153 1.00 0.00 H new ATOM 0 HB2 PRO A 60 79.189 -10.735 -7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 60 78.683 -11.655 -8.928 1.00 0.00 H new ATOM 0 HG2 PRO A 60 80.807 -9.711 -8.722 1.00 0.00 H new ATOM 0 HG3 PRO A 60 80.405 -10.749 -10.075 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.053 -7.939 -9.999 1.00 0.00 H new ATOM 0 HD3 PRO A 60 79.367 -9.016 -11.200 1.00 0.00 H new ATOM 900 N ASP A 61 76.093 -9.897 -6.841 1.00 0.00 N ATOM 901 CA ASP A 61 75.557 -9.542 -5.532 1.00 0.00 C ATOM 902 C ASP A 61 76.558 -9.794 -4.410 1.00 0.00 C ATOM 903 O ASP A 61 76.195 -9.735 -3.235 1.00 0.00 O ATOM 904 CB ASP A 61 74.259 -10.306 -5.267 1.00 0.00 C ATOM 905 CG ASP A 61 74.459 -11.790 -5.547 1.00 0.00 C ATOM 906 OD1 ASP A 61 75.443 -12.335 -5.076 1.00 0.00 O ATOM 907 OD2 ASP A 61 73.609 -12.371 -6.202 1.00 0.00 O ATOM 0 H ASP A 61 75.577 -10.631 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 61 75.350 -8.472 -5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 61 73.948 -10.162 -4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 61 73.461 -9.913 -5.898 1.00 0.00 H new ATOM 912 N ARG A 62 77.746 -10.267 -4.772 1.00 0.00 N ATOM 913 CA ARG A 62 78.747 -10.637 -3.778 1.00 0.00 C ATOM 914 C ARG A 62 78.896 -9.552 -2.717 1.00 0.00 C ATOM 915 O ARG A 62 79.285 -9.832 -1.583 1.00 0.00 O ATOM 916 CB ARG A 62 80.096 -10.865 -4.464 1.00 0.00 C ATOM 917 CG ARG A 62 80.520 -9.596 -5.205 1.00 0.00 C ATOM 918 CD ARG A 62 81.700 -9.931 -6.120 1.00 0.00 C ATOM 919 NE ARG A 62 82.846 -10.363 -5.330 1.00 0.00 N ATOM 920 CZ ARG A 62 83.622 -9.483 -4.707 1.00 0.00 C ATOM 921 NH1 ARG A 62 84.658 -8.982 -5.320 1.00 0.00 N ATOM 922 NH2 ARG A 62 83.353 -9.132 -3.478 1.00 0.00 N ATOM 0 H ARG A 62 78.038 -10.403 -5.740 1.00 0.00 H new ATOM 0 HA ARG A 62 78.418 -11.555 -3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 62 80.850 -11.134 -3.724 1.00 0.00 H new ATOM 0 HB3 ARG A 62 80.023 -11.698 -5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 62 79.688 -9.205 -5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 62 80.802 -8.820 -4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 62 81.415 -10.717 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 62 81.968 -9.057 -6.714 1.00 0.00 H new ATOM 0 HE ARG A 62 83.056 -11.358 -5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 62 84.871 -9.266 -6.276 1.00 0.00 H new ATOM 0 HH12 ARG A 62 85.255 -8.306 -4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 62 82.548 -9.534 -2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 62 83.948 -8.456 -2.999 1.00 0.00 H new ATOM 936 N PHE A 63 78.552 -8.318 -3.073 1.00 0.00 N ATOM 937 CA PHE A 63 78.636 -7.213 -2.126 1.00 0.00 C ATOM 938 C PHE A 63 77.332 -7.096 -1.347 1.00 0.00 C ATOM 939 O PHE A 63 76.253 -7.320 -1.895 1.00 0.00 O ATOM 940 CB PHE A 63 78.879 -5.902 -2.875 1.00 0.00 C ATOM 941 CG PHE A 63 80.002 -6.093 -3.865 1.00 0.00 C ATOM 942 CD1 PHE A 63 79.709 -6.566 -5.148 1.00 0.00 C ATOM 943 CD2 PHE A 63 81.312 -5.737 -3.524 1.00 0.00 C ATOM 944 CE1 PHE A 63 80.737 -6.739 -6.081 1.00 0.00 C ATOM 945 CE2 PHE A 63 82.335 -5.881 -4.469 1.00 0.00 C ATOM 946 CZ PHE A 63 82.052 -6.403 -5.737 1.00 0.00 C ATOM 0 H PHE A 63 78.216 -8.060 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 63 79.461 -7.405 -1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 63 77.971 -5.592 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 63 79.131 -5.109 -2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 63 78.689 -6.798 -5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 63 81.532 -5.354 -2.539 1.00 0.00 H new ATOM 0 HE1 PHE A 63 80.517 -7.130 -7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 63 83.344 -5.589 -4.219 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.849 -6.547 -6.451 1.00 0.00 H new ATOM 956 N SER A 64 77.437 -6.758 -0.067 1.00 0.00 N ATOM 957 CA SER A 64 76.246 -6.589 0.758 1.00 0.00 C ATOM 958 C SER A 64 76.261 -5.246 1.472 1.00 0.00 C ATOM 959 O SER A 64 76.894 -5.130 2.514 1.00 0.00 O ATOM 960 CB SER A 64 76.141 -7.722 1.781 1.00 0.00 C ATOM 961 OG SER A 64 74.800 -7.847 2.229 1.00 0.00 O ATOM 0 H SER A 64 78.320 -6.597 0.417 1.00 0.00 H new ATOM 0 HA SER A 64 75.377 -6.620 0.101 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.473 -8.659 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.799 -7.522 2.627 1.00 0.00 H new ATOM 0 HG SER A 64 74.740 -8.575 2.882 1.00 0.00 H new ATOM 967 N GLY A 65 75.186 -4.508 1.233 1.00 0.00 N ATOM 968 CA GLY A 65 74.981 -3.202 1.842 1.00 0.00 C ATOM 969 C GLY A 65 73.853 -3.257 2.868 1.00 0.00 C ATOM 970 O GLY A 65 72.748 -3.703 2.558 1.00 0.00 O ATOM 0 H GLY A 65 74.431 -4.798 0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.901 -2.871 2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.743 -2.469 1.071 1.00 0.00 H new ATOM 974 N SER A 66 74.146 -2.850 4.100 1.00 0.00 N ATOM 975 CA SER A 66 73.146 -2.886 5.162 1.00 0.00 C ATOM 976 C SER A 66 73.455 -1.863 6.251 1.00 0.00 C ATOM 977 O SER A 66 74.559 -1.324 6.325 1.00 0.00 O ATOM 978 CB SER A 66 73.098 -4.285 5.780 1.00 0.00 C ATOM 979 OG SER A 66 74.240 -4.474 6.602 1.00 0.00 O ATOM 0 H SER A 66 75.058 -2.495 4.386 1.00 0.00 H new ATOM 0 HA SER A 66 72.180 -2.639 4.722 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.188 -4.404 6.369 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.071 -5.041 4.995 1.00 0.00 H new ATOM 0 HG SER A 66 74.979 -3.924 6.267 1.00 0.00 H new ATOM 985 N ILE A 67 72.471 -1.611 7.109 1.00 0.00 N ATOM 986 CA ILE A 67 72.621 -0.628 8.175 1.00 0.00 C ATOM 987 C ILE A 67 71.845 -1.056 9.414 1.00 0.00 C ATOM 988 O ILE A 67 71.066 -2.008 9.360 1.00 0.00 O ATOM 989 CB ILE A 67 72.108 0.735 7.709 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.654 0.620 7.239 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.979 1.240 6.559 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.680 0.475 8.414 1.00 0.00 C ATOM 0 H ILE A 67 71.562 -2.074 7.086 1.00 0.00 H new ATOM 0 HA ILE A 67 73.680 -0.557 8.424 1.00 0.00 H new ATOM 0 HB ILE A 67 72.156 1.437 8.542 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.390 1.503 6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.554 -0.240 6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.614 2.212 6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 67 74.010 1.336 6.899 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.935 0.532 5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.661 0.397 8.035 1.00 0.00 H new ATOM 0 HD12 ILE A 67 69.926 -0.422 8.982 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.760 1.348 9.062 1.00 0.00 H new ATOM 1004 N ASP A 68 72.318 -0.578 10.560 1.00 0.00 N ATOM 1005 CA ASP A 68 71.675 -0.858 11.841 1.00 0.00 C ATOM 1006 C ASP A 68 70.800 0.301 12.310 1.00 0.00 C ATOM 1007 O ASP A 68 71.118 1.465 12.067 1.00 0.00 O ATOM 1008 CB ASP A 68 72.744 -1.188 12.884 1.00 0.00 C ATOM 1009 CG ASP A 68 73.492 -2.446 12.454 1.00 0.00 C ATOM 1010 OD1 ASP A 68 72.831 -3.402 12.079 1.00 0.00 O ATOM 1011 OD2 ASP A 68 74.705 -2.373 12.336 1.00 0.00 O ATOM 0 H ASP A 68 73.149 0.009 10.629 1.00 0.00 H new ATOM 0 HA ASP A 68 71.015 -1.716 11.710 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.439 -0.354 12.987 1.00 0.00 H new ATOM 0 HB3 ASP A 68 72.283 -1.340 13.860 1.00 0.00 H new ATOM 1016 N SER A 69 69.835 -0.006 13.173 1.00 0.00 N ATOM 1017 CA SER A 69 68.972 1.020 13.747 1.00 0.00 C ATOM 1018 C SER A 69 69.741 1.897 14.730 1.00 0.00 C ATOM 1019 O SER A 69 69.235 2.921 15.190 1.00 0.00 O ATOM 1020 CB SER A 69 67.793 0.358 14.465 1.00 0.00 C ATOM 1021 OG SER A 69 68.282 -0.475 15.504 1.00 0.00 O ATOM 0 H SER A 69 69.632 -0.954 13.489 1.00 0.00 H new ATOM 0 HA SER A 69 68.606 1.651 12.937 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.129 1.119 14.876 1.00 0.00 H new ATOM 0 HB3 SER A 69 67.206 -0.229 13.759 1.00 0.00 H new ATOM 0 HG SER A 69 67.528 -0.898 15.966 1.00 0.00 H new ATOM 1027 N SER A 70 70.972 1.499 15.035 1.00 0.00 N ATOM 1028 CA SER A 70 71.794 2.253 15.975 1.00 0.00 C ATOM 1029 C SER A 70 72.027 3.674 15.472 1.00 0.00 C ATOM 1030 O SER A 70 71.988 4.627 16.249 1.00 0.00 O ATOM 1031 CB SER A 70 73.138 1.546 16.170 1.00 0.00 C ATOM 1032 OG SER A 70 72.975 0.481 17.094 1.00 0.00 O ATOM 0 H SER A 70 71.419 0.667 14.649 1.00 0.00 H new ATOM 0 HA SER A 70 71.268 2.306 16.928 1.00 0.00 H new ATOM 0 HB2 SER A 70 73.503 1.164 15.217 1.00 0.00 H new ATOM 0 HB3 SER A 70 73.884 2.251 16.537 1.00 0.00 H new ATOM 0 HG SER A 70 73.833 0.024 17.221 1.00 0.00 H new ATOM 1038 N SER A 71 72.268 3.809 14.173 1.00 0.00 N ATOM 1039 CA SER A 71 72.510 5.117 13.575 1.00 0.00 C ATOM 1040 C SER A 71 73.944 5.564 13.843 1.00 0.00 C ATOM 1041 O SER A 71 74.209 6.753 14.017 1.00 0.00 O ATOM 1042 CB SER A 71 71.517 6.150 14.114 1.00 0.00 C ATOM 1043 OG SER A 71 70.286 5.500 14.393 1.00 0.00 O ATOM 0 H SER A 71 72.301 3.031 13.515 1.00 0.00 H new ATOM 0 HA SER A 71 72.366 5.036 12.498 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.911 6.616 15.017 1.00 0.00 H new ATOM 0 HB3 SER A 71 71.367 6.946 13.384 1.00 0.00 H new ATOM 0 HG SER A 71 69.643 6.153 14.741 1.00 0.00 H new ATOM 1049 N ASN A 72 74.829 4.591 14.046 1.00 0.00 N ATOM 1050 CA ASN A 72 76.219 4.880 14.386 1.00 0.00 C ATOM 1051 C ASN A 72 77.100 4.820 13.141 1.00 0.00 C ATOM 1052 O ASN A 72 78.049 5.594 13.011 1.00 0.00 O ATOM 1053 CB ASN A 72 76.722 3.879 15.430 1.00 0.00 C ATOM 1054 CG ASN A 72 77.902 4.459 16.207 1.00 0.00 C ATOM 1055 OD1 ASN A 72 78.020 5.676 16.347 1.00 0.00 O ATOM 1056 ND2 ASN A 72 78.793 3.656 16.720 1.00 0.00 N ATOM 0 H ASN A 72 74.608 3.597 13.981 1.00 0.00 H new ATOM 0 HA ASN A 72 76.272 5.887 14.800 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.915 3.627 16.118 1.00 0.00 H new ATOM 0 HB3 ASN A 72 77.023 2.954 14.939 1.00 0.00 H new ATOM 0 HD21 ASN A 72 79.586 4.037 17.236 1.00 0.00 H new ATOM 0 HD22 ASN A 72 78.697 2.647 16.605 1.00 0.00 H new ATOM 1063 N SER A 73 76.867 3.820 12.296 1.00 0.00 N ATOM 1064 CA SER A 73 77.652 3.695 11.074 1.00 0.00 C ATOM 1065 C SER A 73 76.996 2.722 10.098 1.00 0.00 C ATOM 1066 O SER A 73 76.278 1.817 10.523 1.00 0.00 O ATOM 1067 CB SER A 73 79.064 3.227 11.428 1.00 0.00 C ATOM 1068 OG SER A 73 79.023 1.872 11.852 1.00 0.00 O ATOM 0 H SER A 73 76.157 3.100 12.430 1.00 0.00 H new ATOM 0 HA SER A 73 77.703 4.668 10.586 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.720 3.329 10.563 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.479 3.854 12.218 1.00 0.00 H new ATOM 0 HG SER A 73 79.928 1.572 12.077 1.00 0.00 H new ATOM 1074 N ALA A 74 77.523 2.661 8.879 1.00 0.00 N ATOM 1075 CA ALA A 74 76.928 1.824 7.840 1.00 0.00 C ATOM 1076 C ALA A 74 77.837 0.640 7.524 1.00 0.00 C ATOM 1077 O ALA A 74 79.057 0.789 7.447 1.00 0.00 O ATOM 1078 CB ALA A 74 76.725 2.643 6.564 1.00 0.00 C ATOM 0 H ALA A 74 78.354 3.176 8.587 1.00 0.00 H new ATOM 0 HA ALA A 74 75.968 1.457 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.281 2.012 5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.062 3.483 6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.687 3.018 6.216 1.00 0.00 H new ATOM 1084 N SER A 75 77.252 -0.554 7.585 1.00 0.00 N ATOM 1085 CA SER A 75 78.022 -1.800 7.526 1.00 0.00 C ATOM 1086 C SER A 75 77.642 -2.679 6.337 1.00 0.00 C ATOM 1087 O SER A 75 76.493 -2.594 5.904 1.00 0.00 O ATOM 1088 CB SER A 75 77.782 -2.634 8.784 1.00 0.00 C ATOM 1089 OG SER A 75 78.092 -1.867 9.936 1.00 0.00 O ATOM 0 H SER A 75 76.245 -0.688 7.675 1.00 0.00 H new ATOM 0 HA SER A 75 79.064 -1.496 7.431 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.743 -2.960 8.822 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.398 -3.533 8.758 1.00 0.00 H new ATOM 0 HG SER A 75 77.935 -2.406 10.740 1.00 0.00 H new ATOM 1095 N LEU A 76 78.632 -2.892 5.478 1.00 0.00 N ATOM 1096 CA LEU A 76 78.595 -3.874 4.395 1.00 0.00 C ATOM 1097 C LEU A 76 79.260 -5.229 4.655 1.00 0.00 C ATOM 1098 O LEU A 76 80.392 -5.261 5.129 1.00 0.00 O ATOM 1099 CB LEU A 76 79.057 -3.192 3.107 1.00 0.00 C ATOM 1100 CG LEU A 76 79.527 -4.221 2.069 1.00 0.00 C ATOM 1101 CD1 LEU A 76 79.249 -3.667 0.669 1.00 0.00 C ATOM 1102 CD2 LEU A 76 81.032 -4.465 2.248 1.00 0.00 C ATOM 0 H LEU A 76 79.509 -2.372 5.515 1.00 0.00 H new ATOM 0 HA LEU A 76 77.556 -4.192 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 76 78.240 -2.601 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.869 -2.500 3.330 1.00 0.00 H new ATOM 0 HG LEU A 76 78.995 -5.163 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.578 -4.388 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 76 78.180 -3.487 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 76 79.791 -2.731 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.372 -5.195 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.572 -3.529 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 76 81.222 -4.845 3.252 1.00 0.00 H new ATOM 1114 N THR A 77 78.664 -6.330 4.192 1.00 0.00 N ATOM 1115 CA THR A 77 79.379 -7.603 4.058 1.00 0.00 C ATOM 1116 C THR A 77 79.605 -8.045 2.608 1.00 0.00 C ATOM 1117 O THR A 77 78.667 -8.386 1.892 1.00 0.00 O ATOM 1118 CB THR A 77 78.541 -8.653 4.786 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.470 -8.320 6.164 1.00 0.00 O ATOM 1120 CG2 THR A 77 79.147 -10.050 4.635 1.00 0.00 C ATOM 0 H THR A 77 77.686 -6.366 3.903 1.00 0.00 H new ATOM 0 HA THR A 77 80.376 -7.483 4.482 1.00 0.00 H new ATOM 0 HB THR A 77 77.544 -8.663 4.345 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.355 -8.042 6.479 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.528 -10.774 5.164 1.00 0.00 H new ATOM 0 HG22 THR A 77 79.193 -10.315 3.579 1.00 0.00 H new ATOM 0 HG23 THR A 77 80.153 -10.058 5.055 1.00 0.00 H new ATOM 1128 N ILE A 78 80.852 -8.354 2.264 1.00 0.00 N ATOM 1129 CA ILE A 78 81.189 -8.910 0.953 1.00 0.00 C ATOM 1130 C ILE A 78 81.363 -10.424 1.058 1.00 0.00 C ATOM 1131 O ILE A 78 82.394 -10.903 1.529 1.00 0.00 O ATOM 1132 CB ILE A 78 82.460 -8.232 0.418 1.00 0.00 C ATOM 1133 CG1 ILE A 78 82.104 -6.954 -0.358 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.264 -9.158 -0.504 1.00 0.00 C ATOM 1135 CD1 ILE A 78 83.235 -5.929 -0.237 1.00 0.00 C ATOM 0 H ILE A 78 81.655 -8.228 2.881 1.00 0.00 H new ATOM 0 HA ILE A 78 80.379 -8.716 0.250 1.00 0.00 H new ATOM 0 HB ILE A 78 83.073 -7.988 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 78 81.931 -7.193 -1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 78 81.177 -6.531 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 78 84.153 -8.636 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.562 -10.050 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.649 -9.446 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 78 82.971 -5.028 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 78 83.388 -5.678 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 78 84.153 -6.350 -0.646 1.00 0.00 H new ATOM 1147 N SER A 79 80.447 -11.161 0.436 1.00 0.00 N ATOM 1148 CA SER A 79 80.535 -12.617 0.390 1.00 0.00 C ATOM 1149 C SER A 79 81.172 -13.072 -0.919 1.00 0.00 C ATOM 1150 O SER A 79 80.750 -12.654 -1.996 1.00 0.00 O ATOM 1151 CB SER A 79 79.135 -13.226 0.514 1.00 0.00 C ATOM 1152 OG SER A 79 79.071 -14.441 -0.220 1.00 0.00 O ATOM 0 H SER A 79 79.635 -10.773 -0.044 1.00 0.00 H new ATOM 0 HA SER A 79 81.155 -12.953 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 79 78.901 -13.411 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 79 78.389 -12.525 0.140 1.00 0.00 H new ATOM 0 HG SER A 79 78.174 -14.827 -0.136 1.00 0.00 H new ATOM 1158 N GLY A 80 82.094 -14.025 -0.828 1.00 0.00 N ATOM 1159 CA GLY A 80 82.735 -14.575 -2.017 1.00 0.00 C ATOM 1160 C GLY A 80 83.844 -13.658 -2.523 1.00 0.00 C ATOM 1161 O GLY A 80 83.860 -13.285 -3.695 1.00 0.00 O ATOM 0 H GLY A 80 82.413 -14.431 0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.148 -15.557 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 80 81.991 -14.717 -2.801 1.00 0.00 H new ATOM 1165 N LEU A 81 84.721 -13.240 -1.615 1.00 0.00 N ATOM 1166 CA LEU A 81 85.836 -12.366 -1.961 1.00 0.00 C ATOM 1167 C LEU A 81 86.885 -13.126 -2.764 1.00 0.00 C ATOM 1168 O LEU A 81 87.184 -14.286 -2.481 1.00 0.00 O ATOM 1169 CB LEU A 81 86.467 -11.807 -0.682 1.00 0.00 C ATOM 1170 CG LEU A 81 87.755 -11.033 -1.005 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.840 -9.762 -0.156 1.00 0.00 C ATOM 1172 CD2 LEU A 81 88.994 -11.892 -0.731 1.00 0.00 C ATOM 0 H LEU A 81 84.680 -13.495 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 81 85.460 -11.545 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.758 -11.150 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.690 -12.623 0.006 1.00 0.00 H new ATOM 0 HG LEU A 81 87.726 -10.771 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.757 -9.225 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 81 86.981 -9.125 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.842 -10.030 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.892 -11.321 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 81 89.013 -12.179 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.960 -12.788 -1.351 1.00 0.00 H new ATOM 1184 N LYS A 82 87.405 -12.474 -3.798 1.00 0.00 N ATOM 1185 CA LYS A 82 88.436 -13.075 -4.638 1.00 0.00 C ATOM 1186 C LYS A 82 89.420 -12.004 -5.099 1.00 0.00 C ATOM 1187 O LYS A 82 89.165 -10.811 -4.936 1.00 0.00 O ATOM 1188 CB LYS A 82 87.779 -13.744 -5.851 1.00 0.00 C ATOM 1189 CG LYS A 82 88.423 -15.107 -6.117 1.00 0.00 C ATOM 1190 CD LYS A 82 87.728 -15.791 -7.295 1.00 0.00 C ATOM 1191 CE LYS A 82 88.466 -17.088 -7.639 1.00 0.00 C ATOM 1192 NZ LYS A 82 88.036 -17.563 -8.984 1.00 0.00 N ATOM 0 H LYS A 82 87.131 -11.531 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 82 88.979 -13.826 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.711 -13.867 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 82 87.885 -13.106 -6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 82 89.484 -14.982 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.350 -15.733 -5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 82 86.690 -16.007 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 82 87.715 -15.127 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 82 89.543 -16.920 -7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 82 88.255 -17.849 -6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 88.537 -18.444 -9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 87.011 -17.739 -8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 88.259 -16.838 -9.696 1.00 0.00 H new ATOM 1206 N THR A 83 90.446 -12.440 -5.822 1.00 0.00 N ATOM 1207 CA THR A 83 91.378 -11.516 -6.458 1.00 0.00 C ATOM 1208 C THR A 83 90.602 -10.418 -7.176 1.00 0.00 C ATOM 1209 O THR A 83 91.167 -9.398 -7.570 1.00 0.00 O ATOM 1210 CB THR A 83 92.287 -12.257 -7.443 1.00 0.00 C ATOM 1211 OG1 THR A 83 91.646 -12.336 -8.708 1.00 0.00 O ATOM 1212 CG2 THR A 83 92.556 -13.673 -6.929 1.00 0.00 C ATOM 0 H THR A 83 90.653 -13.426 -5.982 1.00 0.00 H new ATOM 0 HA THR A 83 92.007 -11.066 -5.690 1.00 0.00 H new ATOM 0 HB THR A 83 93.229 -11.718 -7.539 1.00 0.00 H new ATOM 0 HG1 THR A 83 92.227 -12.808 -9.340 1.00 0.00 H new ATOM 0 HG21 THR A 83 93.203 -14.198 -7.632 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.044 -13.620 -5.956 1.00 0.00 H new ATOM 0 HG23 THR A 83 91.613 -14.211 -6.833 1.00 0.00 H new ATOM 1220 N GLU A 84 89.337 -10.711 -7.461 1.00 0.00 N ATOM 1221 CA GLU A 84 88.469 -9.749 -8.127 1.00 0.00 C ATOM 1222 C GLU A 84 88.076 -8.620 -7.180 1.00 0.00 C ATOM 1223 O GLU A 84 88.033 -7.457 -7.583 1.00 0.00 O ATOM 1224 CB GLU A 84 87.212 -10.452 -8.646 1.00 0.00 C ATOM 1225 CG GLU A 84 86.550 -9.601 -9.733 1.00 0.00 C ATOM 1226 CD GLU A 84 85.329 -10.325 -10.288 1.00 0.00 C ATOM 1227 OE1 GLU A 84 84.269 -10.179 -9.704 1.00 0.00 O ATOM 1228 OE2 GLU A 84 85.464 -10.985 -11.305 1.00 0.00 O ATOM 0 H GLU A 84 88.893 -11.603 -7.242 1.00 0.00 H new ATOM 0 HA GLU A 84 89.017 -9.319 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 84 87.472 -11.432 -9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 84 86.513 -10.618 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 84 86.255 -8.636 -9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 84 87.261 -9.402 -10.535 1.00 0.00 H new ATOM 1235 N ASP A 85 87.817 -8.947 -5.917 1.00 0.00 N ATOM 1236 CA ASP A 85 87.424 -7.908 -4.971 1.00 0.00 C ATOM 1237 C ASP A 85 88.585 -6.955 -4.704 1.00 0.00 C ATOM 1238 O ASP A 85 88.432 -5.977 -3.971 1.00 0.00 O ATOM 1239 CB ASP A 85 86.952 -8.545 -3.660 1.00 0.00 C ATOM 1240 CG ASP A 85 85.934 -7.650 -2.962 1.00 0.00 C ATOM 1241 OD1 ASP A 85 85.005 -7.218 -3.624 1.00 0.00 O ATOM 1242 OD2 ASP A 85 86.066 -7.461 -1.765 1.00 0.00 O ATOM 0 H ASP A 85 87.869 -9.891 -5.534 1.00 0.00 H new ATOM 0 HA ASP A 85 86.604 -7.337 -5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.508 -9.520 -3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.806 -8.714 -3.004 1.00 0.00 H new ATOM 1247 N GLU A 86 89.757 -7.291 -5.234 1.00 0.00 N ATOM 1248 CA GLU A 86 90.934 -6.449 -5.063 1.00 0.00 C ATOM 1249 C GLU A 86 90.720 -5.091 -5.721 1.00 0.00 C ATOM 1250 O GLU A 86 90.494 -5.014 -6.928 1.00 0.00 O ATOM 1251 CB GLU A 86 92.154 -7.123 -5.695 1.00 0.00 C ATOM 1252 CG GLU A 86 93.425 -6.374 -5.289 1.00 0.00 C ATOM 1253 CD GLU A 86 94.656 -7.167 -5.716 1.00 0.00 C ATOM 1254 OE1 GLU A 86 94.525 -8.367 -5.893 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.727 -6.584 -5.758 1.00 0.00 O ATOM 0 H GLU A 86 89.916 -8.136 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 86 91.102 -6.308 -3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.215 -8.163 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 86 92.056 -7.130 -6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.439 -5.387 -5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.437 -6.220 -4.210 1.00 0.00 H new ATOM 1262 N ALA A 87 90.886 -4.024 -4.945 1.00 0.00 N ATOM 1263 CA ALA A 87 90.768 -2.666 -5.467 1.00 0.00 C ATOM 1264 C ALA A 87 90.519 -1.676 -4.333 1.00 0.00 C ATOM 1265 O ALA A 87 90.452 -2.054 -3.163 1.00 0.00 O ATOM 1266 CB ALA A 87 89.632 -2.577 -6.493 1.00 0.00 C ATOM 0 H ALA A 87 91.103 -4.074 -3.950 1.00 0.00 H new ATOM 0 HA ALA A 87 91.707 -2.411 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.561 -1.557 -6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.835 -3.256 -7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.691 -2.855 -6.019 1.00 0.00 H new ATOM 1272 N ASP A 88 90.366 -0.405 -4.694 1.00 0.00 N ATOM 1273 CA ASP A 88 90.046 0.637 -3.725 1.00 0.00 C ATOM 1274 C ASP A 88 88.538 0.745 -3.529 1.00 0.00 C ATOM 1275 O ASP A 88 87.780 0.768 -4.499 1.00 0.00 O ATOM 1276 CB ASP A 88 90.590 1.980 -4.213 1.00 0.00 C ATOM 1277 CG ASP A 88 90.580 2.992 -3.072 1.00 0.00 C ATOM 1278 OD1 ASP A 88 91.435 2.888 -2.207 1.00 0.00 O ATOM 1279 OD2 ASP A 88 89.730 3.866 -3.089 1.00 0.00 O ATOM 0 H ASP A 88 90.459 -0.072 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 88 90.507 0.375 -2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 88 91.605 1.855 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 88 89.985 2.348 -5.042 1.00 0.00 H new ATOM 1284 N TYR A 89 88.110 0.877 -2.277 1.00 0.00 N ATOM 1285 CA TYR A 89 86.686 0.984 -1.968 1.00 0.00 C ATOM 1286 C TYR A 89 86.368 2.342 -1.347 1.00 0.00 C ATOM 1287 O TYR A 89 87.055 2.788 -0.429 1.00 0.00 O ATOM 1288 CB TYR A 89 86.296 -0.133 -0.996 1.00 0.00 C ATOM 1289 CG TYR A 89 86.250 -1.453 -1.729 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.441 -2.040 -2.176 1.00 0.00 C ATOM 1291 CD2 TYR A 89 85.026 -2.097 -1.949 1.00 0.00 C ATOM 1292 CE1 TYR A 89 87.407 -3.272 -2.840 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.993 -3.326 -2.617 1.00 0.00 C ATOM 1294 CZ TYR A 89 86.180 -3.902 -3.084 1.00 0.00 C ATOM 1295 OH TYR A 89 86.133 -5.112 -3.745 1.00 0.00 O ATOM 0 H TYR A 89 88.724 0.912 -1.463 1.00 0.00 H new ATOM 0 HA TYR A 89 86.116 0.887 -2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 89 87.016 -0.185 -0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.324 0.081 -0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.385 -1.542 -2.008 1.00 0.00 H new ATOM 0 HD2 TYR A 89 84.108 -1.645 -1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 89 88.327 -3.737 -3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 89 84.051 -3.831 -2.772 1.00 0.00 H new ATOM 0 HH TYR A 89 86.994 -5.279 -4.183 1.00 0.00 H new ATOM 1305 N TYR A 90 85.280 2.960 -1.804 1.00 0.00 N ATOM 1306 CA TYR A 90 84.848 4.256 -1.287 1.00 0.00 C ATOM 1307 C TYR A 90 83.328 4.393 -1.357 1.00 0.00 C ATOM 1308 O TYR A 90 82.701 3.815 -2.246 1.00 0.00 O ATOM 1309 CB TYR A 90 85.525 5.376 -2.083 1.00 0.00 C ATOM 1310 CG TYR A 90 85.496 5.060 -3.560 1.00 0.00 C ATOM 1311 CD1 TYR A 90 86.406 4.136 -4.089 1.00 0.00 C ATOM 1312 CD2 TYR A 90 84.666 5.788 -4.422 1.00 0.00 C ATOM 1313 CE1 TYR A 90 86.377 3.831 -5.454 1.00 0.00 C ATOM 1314 CE2 TYR A 90 84.688 5.531 -5.798 1.00 0.00 C ATOM 1315 CZ TYR A 90 85.494 4.505 -6.305 1.00 0.00 C ATOM 1316 OH TYR A 90 85.489 4.237 -7.659 1.00 0.00 O ATOM 0 H TYR A 90 84.679 2.581 -2.536 1.00 0.00 H new ATOM 0 HA TYR A 90 85.141 4.332 -0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 90 85.017 6.322 -1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 90 86.556 5.496 -1.750 1.00 0.00 H new ATOM 0 HD1 TYR A 90 87.129 3.660 -3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 90 84.009 6.548 -4.025 1.00 0.00 H new ATOM 0 HE1 TYR A 90 87.037 3.074 -5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 90 84.083 6.124 -6.468 1.00 0.00 H new ATOM 0 HH TYR A 90 85.937 4.965 -8.138 1.00 0.00 H new ATOM 1326 N CYS A 91 82.743 5.144 -0.417 1.00 0.00 N ATOM 1327 CA CYS A 91 81.291 5.318 -0.325 1.00 0.00 C ATOM 1328 C CYS A 91 80.913 6.799 -0.390 1.00 0.00 C ATOM 1329 O CYS A 91 81.671 7.649 0.078 1.00 0.00 O ATOM 1330 CB CYS A 91 80.657 4.652 0.923 1.00 0.00 C ATOM 1331 SG CYS A 91 81.787 4.030 2.216 1.00 0.00 S ATOM 0 H CYS A 91 83.264 5.648 0.301 1.00 0.00 H new ATOM 0 HA CYS A 91 80.877 4.799 -1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 91 79.984 5.375 1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 91 80.044 3.818 0.583 1.00 0.00 H new ATOM 1336 N GLN A 92 79.715 7.112 -0.892 1.00 0.00 N ATOM 1337 CA GLN A 92 79.162 8.461 -0.765 1.00 0.00 C ATOM 1338 C GLN A 92 77.799 8.440 -0.080 1.00 0.00 C ATOM 1339 O GLN A 92 77.047 7.475 -0.210 1.00 0.00 O ATOM 1340 CB GLN A 92 79.004 9.121 -2.139 1.00 0.00 C ATOM 1341 CG GLN A 92 80.168 8.725 -3.047 1.00 0.00 C ATOM 1342 CD GLN A 92 80.079 9.489 -4.365 1.00 0.00 C ATOM 1343 OE1 GLN A 92 80.038 10.719 -4.371 1.00 0.00 O ATOM 1344 NE2 GLN A 92 80.036 8.832 -5.492 1.00 0.00 N ATOM 0 H GLN A 92 79.114 6.453 -1.387 1.00 0.00 H new ATOM 0 HA GLN A 92 79.864 9.034 -0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 92 78.060 8.817 -2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.970 10.205 -2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.116 8.942 -2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 92 80.145 7.652 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 92 80.070 7.813 -5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 92 79.969 9.338 -6.375 1.00 0.00 H new ATOM 1353 N SER A 93 77.491 9.494 0.671 1.00 0.00 N ATOM 1354 CA SER A 93 76.214 9.592 1.373 1.00 0.00 C ATOM 1355 C SER A 93 75.592 10.976 1.216 1.00 0.00 C ATOM 1356 O SER A 93 76.296 11.958 0.980 1.00 0.00 O ATOM 1357 CB SER A 93 76.416 9.293 2.859 1.00 0.00 C ATOM 1358 OG SER A 93 75.151 9.152 3.488 1.00 0.00 O ATOM 0 H SER A 93 78.109 10.293 0.809 1.00 0.00 H new ATOM 0 HA SER A 93 75.535 8.861 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 93 76.999 8.380 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 93 76.981 10.098 3.330 1.00 0.00 H new ATOM 0 HG SER A 93 75.030 8.223 3.775 1.00 0.00 H new ATOM 1364 N TYR A 94 74.284 11.055 1.446 1.00 0.00 N ATOM 1365 CA TYR A 94 73.577 12.331 1.397 1.00 0.00 C ATOM 1366 C TYR A 94 72.286 12.235 2.208 1.00 0.00 C ATOM 1367 O TYR A 94 71.484 11.324 2.005 1.00 0.00 O ATOM 1368 CB TYR A 94 73.280 12.730 -0.057 1.00 0.00 C ATOM 1369 CG TYR A 94 73.687 11.624 -1.002 1.00 0.00 C ATOM 1370 CD1 TYR A 94 72.890 10.479 -1.125 1.00 0.00 C ATOM 1371 CD2 TYR A 94 74.890 11.716 -1.713 1.00 0.00 C ATOM 1372 CE1 TYR A 94 73.279 9.444 -1.983 1.00 0.00 C ATOM 1373 CE2 TYR A 94 75.281 10.679 -2.569 1.00 0.00 C ATOM 1374 CZ TYR A 94 74.476 9.542 -2.702 1.00 0.00 C ATOM 1375 OH TYR A 94 74.843 8.528 -3.562 1.00 0.00 O ATOM 0 H TYR A 94 73.694 10.253 1.667 1.00 0.00 H new ATOM 0 HA TYR A 94 74.209 13.104 1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 94 72.217 12.942 -0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 94 73.817 13.645 -0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 94 71.975 10.395 -0.558 1.00 0.00 H new ATOM 0 HD2 TYR A 94 75.517 12.588 -1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 94 72.655 8.569 -2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 94 76.203 10.757 -3.126 1.00 0.00 H new ATOM 0 HH TYR A 94 74.245 8.525 -4.338 1.00 0.00 H new ATOM 1482 N PHE A 102 81.536 12.648 -0.228 1.00 0.00 N ATOM 1483 CA PHE A 102 82.130 11.444 -0.800 1.00 0.00 C ATOM 1484 C PHE A 102 83.435 11.110 -0.086 1.00 0.00 C ATOM 1485 O PHE A 102 84.181 12.010 0.301 1.00 0.00 O ATOM 1486 CB PHE A 102 82.378 11.654 -2.295 1.00 0.00 C ATOM 1487 CG PHE A 102 83.530 12.607 -2.504 1.00 0.00 C ATOM 1488 CD1 PHE A 102 83.319 13.990 -2.453 1.00 0.00 C ATOM 1489 CD2 PHE A 102 84.823 12.103 -2.688 1.00 0.00 C ATOM 1490 CE1 PHE A 102 84.388 14.869 -2.666 1.00 0.00 C ATOM 1491 CE2 PHE A 102 85.891 12.981 -2.908 1.00 0.00 C ATOM 1492 CZ PHE A 102 85.678 14.364 -2.866 1.00 0.00 C ATOM 0 HA PHE A 102 81.443 10.608 -0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 102 82.596 10.699 -2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 102 81.479 12.049 -2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 102 82.332 14.379 -2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 102 84.997 11.037 -2.660 1.00 0.00 H new ATOM 0 HE1 PHE A 102 84.217 15.935 -2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 102 86.878 12.592 -3.110 1.00 0.00 H new ATOM 0 HZ PHE A 102 86.510 15.042 -2.988 1.00 0.00 H new ATOM 1502 N GLY A 103 83.717 9.822 0.077 1.00 0.00 N ATOM 1503 CA GLY A 103 84.975 9.417 0.693 1.00 0.00 C ATOM 1504 C GLY A 103 84.925 7.960 1.133 1.00 0.00 C ATOM 1505 O GLY A 103 84.031 7.212 0.736 1.00 0.00 O ATOM 0 H GLY A 103 83.106 9.055 -0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 103 85.792 9.559 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 103 85.184 10.053 1.553 1.00 0.00 H new ATOM 1509 N GLY A 104 85.840 7.585 2.021 1.00 0.00 N ATOM 1510 CA GLY A 104 85.909 6.213 2.510 1.00 0.00 C ATOM 1511 C GLY A 104 86.939 5.409 1.724 1.00 0.00 C ATOM 1512 O GLY A 104 86.745 4.225 1.446 1.00 0.00 O ATOM 0 H GLY A 104 86.542 8.210 2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 104 86.171 6.212 3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 104 84.930 5.742 2.423 1.00 0.00 H new ATOM 1516 N GLY A 105 88.013 6.075 1.315 1.00 0.00 N ATOM 1517 CA GLY A 105 89.070 5.399 0.572 1.00 0.00 C ATOM 1518 C GLY A 105 89.658 4.266 1.404 1.00 0.00 C ATOM 1519 O GLY A 105 90.666 4.448 2.086 1.00 0.00 O ATOM 0 H GLY A 105 88.174 7.068 1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 105 88.672 5.004 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 105 89.852 6.111 0.310 1.00 0.00 H new ATOM 1523 N THR A 106 89.146 3.058 1.187 1.00 0.00 N ATOM 1524 CA THR A 106 89.632 1.882 1.902 1.00 0.00 C ATOM 1525 C THR A 106 90.367 0.958 0.937 1.00 0.00 C ATOM 1526 O THR A 106 89.771 0.388 0.024 1.00 0.00 O ATOM 1527 CB THR A 106 88.469 1.118 2.542 1.00 0.00 C ATOM 1528 OG1 THR A 106 87.779 1.970 3.445 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.008 -0.104 3.291 1.00 0.00 C ATOM 0 H THR A 106 88.396 2.868 0.523 1.00 0.00 H new ATOM 0 HA THR A 106 90.311 2.215 2.687 1.00 0.00 H new ATOM 0 HB THR A 106 87.781 0.787 1.764 1.00 0.00 H new ATOM 0 HG1 THR A 106 87.003 2.365 2.994 1.00 0.00 H new ATOM 0 HG21 THR A 106 88.179 -0.647 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 106 89.530 -0.758 2.592 1.00 0.00 H new ATOM 0 HG23 THR A 106 89.699 0.221 4.069 1.00 0.00 H new ATOM 1537 N LYS A 107 91.668 0.808 1.161 1.00 0.00 N ATOM 1538 CA LYS A 107 92.500 -0.016 0.293 1.00 0.00 C ATOM 1539 C LYS A 107 92.342 -1.491 0.648 1.00 0.00 C ATOM 1540 O LYS A 107 92.811 -1.938 1.694 1.00 0.00 O ATOM 1541 CB LYS A 107 93.962 0.407 0.460 1.00 0.00 C ATOM 1542 CG LYS A 107 94.212 1.763 -0.218 1.00 0.00 C ATOM 1543 CD LYS A 107 95.065 2.670 0.675 1.00 0.00 C ATOM 1544 CE LYS A 107 96.477 2.093 0.798 1.00 0.00 C ATOM 1545 NZ LYS A 107 97.317 3.010 1.620 1.00 0.00 N ATOM 0 H LYS A 107 92.168 1.246 1.935 1.00 0.00 H new ATOM 0 HA LYS A 107 92.190 0.123 -0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 107 94.209 0.473 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.617 -0.349 0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 107 94.714 1.610 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 107 93.260 2.248 -0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 107 95.108 3.675 0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 107 94.610 2.757 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 107 96.439 1.106 1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 107 96.918 1.967 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 98.277 2.619 1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 97.362 3.943 1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 96.899 3.108 2.567 1.00 0.00 H new ATOM 1559 N LEU A 108 91.675 -2.241 -0.226 1.00 0.00 N ATOM 1560 CA LEU A 108 91.480 -3.671 -0.016 1.00 0.00 C ATOM 1561 C LEU A 108 92.440 -4.474 -0.882 1.00 0.00 C ATOM 1562 O LEU A 108 92.509 -4.275 -2.095 1.00 0.00 O ATOM 1563 CB LEU A 108 90.048 -4.062 -0.385 1.00 0.00 C ATOM 1564 CG LEU A 108 89.767 -5.507 0.039 1.00 0.00 C ATOM 1565 CD1 LEU A 108 89.734 -5.617 1.567 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.413 -5.936 -0.533 1.00 0.00 C ATOM 0 H LEU A 108 91.261 -1.881 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 108 91.669 -3.888 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.343 -3.389 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.900 -3.955 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 108 90.558 -6.154 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 108 89.533 -6.649 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 108 90.696 -5.308 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 108 88.949 -4.972 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.202 -6.964 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.632 -5.280 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.440 -5.870 -1.621 1.00 0.00 H new ATOM 1578 N THR A 109 93.198 -5.364 -0.250 1.00 0.00 N ATOM 1579 CA THR A 109 94.163 -6.193 -0.964 1.00 0.00 C ATOM 1580 C THR A 109 93.841 -7.670 -0.766 1.00 0.00 C ATOM 1581 O THR A 109 93.724 -8.145 0.362 1.00 0.00 O ATOM 1582 CB THR A 109 95.577 -5.900 -0.457 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.817 -4.501 -0.488 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.599 -6.602 -1.355 1.00 0.00 C ATOM 0 H THR A 109 93.163 -5.530 0.756 1.00 0.00 H new ATOM 0 HA THR A 109 94.106 -5.959 -2.027 1.00 0.00 H new ATOM 0 HB THR A 109 95.672 -6.265 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.722 -4.317 -0.161 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.606 -6.393 -0.993 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.423 -7.677 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.497 -6.236 -2.377 1.00 0.00 H new ATOM 1592 N VAL A 110 93.677 -8.400 -1.864 1.00 0.00 N ATOM 1593 CA VAL A 110 93.352 -9.818 -1.775 1.00 0.00 C ATOM 1594 C VAL A 110 94.630 -10.649 -1.728 1.00 0.00 C ATOM 1595 O VAL A 110 94.679 -11.770 -2.235 1.00 0.00 O ATOM 1596 CB VAL A 110 92.501 -10.238 -2.976 1.00 0.00 C ATOM 1597 CG1 VAL A 110 92.132 -11.725 -2.867 1.00 0.00 C ATOM 1598 CG2 VAL A 110 91.231 -9.382 -3.038 1.00 0.00 C ATOM 0 H VAL A 110 93.762 -8.039 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 110 92.785 -9.991 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 110 93.076 -10.086 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.527 -12.014 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.042 -12.325 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.565 -11.893 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.629 -9.685 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.655 -9.519 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.505 -8.332 -3.140 1.00 0.00 H new ATOM 1608 N LEU A 111 95.655 -10.100 -1.086 1.00 0.00 N ATOM 1609 CA LEU A 111 96.925 -10.805 -0.961 1.00 0.00 C ATOM 1610 C LEU A 111 97.424 -11.251 -2.332 1.00 0.00 C ATOM 1611 O LEU A 111 98.385 -12.001 -2.369 1.00 0.00 O ATOM 1612 CB LEU A 111 96.748 -12.022 -0.049 1.00 0.00 C ATOM 1613 CG LEU A 111 96.719 -11.587 1.422 1.00 0.00 C ATOM 1614 CD1 LEU A 111 95.888 -12.572 2.248 1.00 0.00 C ATOM 1615 CD2 LEU A 111 98.137 -11.551 1.996 1.00 0.00 C ATOM 1616 OXT LEU A 111 96.824 -10.859 -3.320 1.00 0.00 O ATOM 0 H LEU A 111 95.633 -9.179 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 111 97.662 -10.130 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.823 -12.541 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.563 -12.727 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 111 96.276 -10.592 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 111 95.875 -12.253 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 111 94.868 -12.599 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.328 -13.567 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 111 98.099 -11.241 3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 111 98.582 -12.544 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 111 98.741 -10.843 1.429 1.00 0.00 H new