USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 758 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 38 TYR OH : rot 180:sc= -0.65 USER MOD Set 1.2: A 40 SER OG : rot 180:sc= -0.265 USER MOD Single : A 1 GLY N :NH3+ 129:sc= 0.051 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -157:sc= -0.853 (180deg=-0.975) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0258) USER MOD Single : A 17 TYR OH : rot 79:sc= 0.396 USER MOD Single : A 20 THR OG1 : rot -47:sc= 0.0414 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.08! C(o=-3.1!,f=-3.3!) USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= 0.399 (180deg=-0.253) USER MOD Single : A 33 THR OG1 : rot 170:sc= -0.0458 USER MOD Single : A 35 GLN : amide:sc= -1.46 K(o=-1.5,f=-7.5!) USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= -1.1 (180deg=-2.58!) USER MOD Single : A 42 ASN : amide:sc= 0.00306 X(o=0.0031,f=-0.14) USER MOD Single : A 43 ASN : amide:sc= -3.16! X(o=-3.2!,f=-3.3) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -2.6! X(o=-2.6!,f=-2.6) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.73! C(o=-1.7!,f=-3.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -3.57 K(o=-3.6,f=-5.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1.6!) USER MOD Single : A 75 TYR OH : rot 165:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot -150:sc= -0.0957 USER MOD Single : A 87 CYS SG : rot -154:sc= -5.15! USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.810 -13.038 16.531 1.00 0.00 N ATOM 2 CA GLY A 1 -8.741 -13.759 15.682 1.00 0.00 C ATOM 3 C GLY A 1 -8.117 -14.988 15.051 1.00 0.00 C ATOM 4 O GLY A 1 -6.903 -15.047 14.858 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.805 -12.032 16.266 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.102 -13.132 17.525 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.855 -13.432 16.412 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.609 -14.057 16.271 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.102 -13.094 14.897 1.00 0.00 H new ATOM 8 N SER A 2 -8.950 -15.973 14.730 1.00 0.00 N ATOM 9 CA SER A 2 -8.473 -17.210 14.122 1.00 0.00 C ATOM 10 C SER A 2 -8.242 -17.025 12.625 1.00 0.00 C ATOM 11 O SER A 2 -9.184 -16.814 11.862 1.00 0.00 O ATOM 12 CB SER A 2 -9.476 -18.340 14.359 1.00 0.00 C ATOM 13 OG SER A 2 -8.851 -19.607 14.254 1.00 0.00 O ATOM 0 H SER A 2 -9.958 -15.939 14.881 1.00 0.00 H new ATOM 0 HA SER A 2 -7.524 -17.473 14.589 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.923 -18.232 15.347 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.286 -18.269 13.633 1.00 0.00 H new ATOM 0 HG SER A 2 -9.513 -20.312 14.411 1.00 0.00 H new ATOM 19 N SER A 3 -6.981 -17.106 12.213 1.00 0.00 N ATOM 20 CA SER A 3 -6.624 -16.944 10.808 1.00 0.00 C ATOM 21 C SER A 3 -5.168 -17.334 10.569 1.00 0.00 C ATOM 22 O SER A 3 -4.354 -17.332 11.491 1.00 0.00 O ATOM 23 CB SER A 3 -6.856 -15.498 10.365 1.00 0.00 C ATOM 24 OG SER A 3 -6.773 -15.378 8.955 1.00 0.00 O ATOM 0 H SER A 3 -6.190 -17.283 12.832 1.00 0.00 H new ATOM 0 HA SER A 3 -7.260 -17.604 10.218 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.836 -15.163 10.705 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.117 -14.848 10.833 1.00 0.00 H new ATOM 0 HG SER A 3 -6.926 -14.445 8.696 1.00 0.00 H new ATOM 30 N GLY A 4 -4.849 -17.669 9.323 1.00 0.00 N ATOM 31 CA GLY A 4 -3.492 -18.057 8.983 1.00 0.00 C ATOM 32 C GLY A 4 -3.371 -18.553 7.556 1.00 0.00 C ATOM 33 O GLY A 4 -3.319 -19.759 7.313 1.00 0.00 O ATOM 0 H GLY A 4 -5.506 -17.679 8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.827 -17.205 9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.159 -18.839 9.666 1.00 0.00 H new ATOM 37 N SER A 5 -3.327 -17.621 6.609 1.00 0.00 N ATOM 38 CA SER A 5 -3.217 -17.971 5.198 1.00 0.00 C ATOM 39 C SER A 5 -1.864 -18.611 4.901 1.00 0.00 C ATOM 40 O SER A 5 -0.953 -18.574 5.727 1.00 0.00 O ATOM 41 CB SER A 5 -3.408 -16.728 4.326 1.00 0.00 C ATOM 42 OG SER A 5 -4.781 -16.405 4.193 1.00 0.00 O ATOM 0 H SER A 5 -3.366 -16.619 6.793 1.00 0.00 H new ATOM 0 HA SER A 5 -4.000 -18.693 4.966 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.874 -15.886 4.766 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.975 -16.901 3.341 1.00 0.00 H new ATOM 0 HG SER A 5 -4.876 -15.606 3.633 1.00 0.00 H new ATOM 48 N SER A 6 -1.742 -19.199 3.714 1.00 0.00 N ATOM 49 CA SER A 6 -0.503 -19.851 3.308 1.00 0.00 C ATOM 50 C SER A 6 0.666 -18.872 3.353 1.00 0.00 C ATOM 51 O SER A 6 0.487 -17.665 3.195 1.00 0.00 O ATOM 52 CB SER A 6 -0.645 -20.430 1.899 1.00 0.00 C ATOM 53 OG SER A 6 -1.054 -19.434 0.978 1.00 0.00 O ATOM 0 H SER A 6 -2.486 -19.237 3.018 1.00 0.00 H new ATOM 0 HA SER A 6 -0.302 -20.662 4.008 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.306 -20.856 1.580 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.372 -21.242 1.908 1.00 0.00 H new ATOM 0 HG SER A 6 -1.136 -19.828 0.085 1.00 0.00 H new ATOM 59 N GLY A 7 1.866 -19.403 3.571 1.00 0.00 N ATOM 60 CA GLY A 7 3.048 -18.563 3.634 1.00 0.00 C ATOM 61 C GLY A 7 3.353 -17.892 2.309 1.00 0.00 C ATOM 62 O GLY A 7 4.178 -18.377 1.534 1.00 0.00 O ATOM 0 H GLY A 7 2.040 -20.399 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.908 -17.801 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.903 -19.167 3.938 1.00 0.00 H new ATOM 66 N LYS A 8 2.686 -16.774 2.046 1.00 0.00 N ATOM 67 CA LYS A 8 2.889 -16.035 0.806 1.00 0.00 C ATOM 68 C LYS A 8 4.140 -15.166 0.889 1.00 0.00 C ATOM 69 O LYS A 8 4.068 -13.991 1.250 1.00 0.00 O ATOM 70 CB LYS A 8 1.668 -15.163 0.502 1.00 0.00 C ATOM 71 CG LYS A 8 0.536 -15.916 -0.175 1.00 0.00 C ATOM 72 CD LYS A 8 0.698 -15.925 -1.686 1.00 0.00 C ATOM 73 CE LYS A 8 1.568 -17.085 -2.147 1.00 0.00 C ATOM 74 NZ LYS A 8 1.370 -17.387 -3.592 1.00 0.00 N ATOM 0 H LYS A 8 1.999 -16.359 2.676 1.00 0.00 H new ATOM 0 HA LYS A 8 3.022 -16.756 -0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.300 -14.731 1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.974 -14.334 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.507 -16.941 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.417 -15.456 0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.282 -15.994 -2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.142 -14.984 -2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.616 -16.847 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.336 -17.971 -1.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.980 -18.183 -3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.375 -17.639 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.616 -16.550 -4.158 1.00 0.00 H new ATOM 88 N ALA A 9 5.284 -15.750 0.552 1.00 0.00 N ATOM 89 CA ALA A 9 6.550 -15.027 0.585 1.00 0.00 C ATOM 90 C ALA A 9 6.408 -13.643 -0.037 1.00 0.00 C ATOM 91 O ALA A 9 6.667 -12.630 0.613 1.00 0.00 O ATOM 92 CB ALA A 9 7.631 -15.823 -0.132 1.00 0.00 C ATOM 0 H ALA A 9 5.361 -16.722 0.253 1.00 0.00 H new ATOM 0 HA ALA A 9 6.840 -14.899 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.571 -15.272 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.759 -16.787 0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.338 -15.981 -1.170 1.00 0.00 H new ATOM 98 N PHE A 10 5.996 -13.606 -1.300 1.00 0.00 N ATOM 99 CA PHE A 10 5.821 -12.345 -2.011 1.00 0.00 C ATOM 100 C PHE A 10 5.247 -11.275 -1.087 1.00 0.00 C ATOM 101 O PHE A 10 5.624 -10.104 -1.165 1.00 0.00 O ATOM 102 CB PHE A 10 4.902 -12.539 -3.218 1.00 0.00 C ATOM 103 CG PHE A 10 5.023 -11.450 -4.246 1.00 0.00 C ATOM 104 CD1 PHE A 10 6.002 -11.508 -5.225 1.00 0.00 C ATOM 105 CD2 PHE A 10 4.158 -10.367 -4.232 1.00 0.00 C ATOM 106 CE1 PHE A 10 6.116 -10.507 -6.170 1.00 0.00 C ATOM 107 CE2 PHE A 10 4.268 -9.363 -5.176 1.00 0.00 C ATOM 108 CZ PHE A 10 5.247 -9.434 -6.147 1.00 0.00 C ATOM 0 H PHE A 10 5.777 -14.435 -1.852 1.00 0.00 H new ATOM 0 HA PHE A 10 6.800 -12.013 -2.358 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.129 -13.497 -3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.869 -12.589 -2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.684 -12.345 -5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.390 -10.307 -3.475 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.885 -10.564 -6.927 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.589 -8.524 -5.154 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.333 -8.652 -6.887 1.00 0.00 H new ATOM 118 N LEU A 11 4.334 -11.684 -0.214 1.00 0.00 N ATOM 119 CA LEU A 11 3.706 -10.761 0.726 1.00 0.00 C ATOM 120 C LEU A 11 4.582 -10.560 1.959 1.00 0.00 C ATOM 121 O LEU A 11 4.949 -9.435 2.294 1.00 0.00 O ATOM 122 CB LEU A 11 2.331 -11.284 1.143 1.00 0.00 C ATOM 123 CG LEU A 11 1.292 -11.403 0.028 1.00 0.00 C ATOM 124 CD1 LEU A 11 0.021 -12.056 0.549 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.986 -10.036 -0.566 1.00 0.00 C ATOM 0 H LEU A 11 4.011 -12.649 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 11 3.586 -9.799 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.461 -12.266 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.933 -10.625 1.915 1.00 0.00 H new ATOM 0 HG LEU A 11 1.704 -12.035 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.707 -12.132 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.252 -13.053 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.394 -11.452 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.244 -10.141 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.595 -9.380 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.899 -9.606 -0.978 1.00 0.00 H new ATOM 137 N GLU A 12 4.913 -11.660 2.629 1.00 0.00 N ATOM 138 CA GLU A 12 5.747 -11.603 3.823 1.00 0.00 C ATOM 139 C GLU A 12 6.798 -10.504 3.702 1.00 0.00 C ATOM 140 O GLU A 12 6.874 -9.607 4.543 1.00 0.00 O ATOM 141 CB GLU A 12 6.430 -12.952 4.060 1.00 0.00 C ATOM 142 CG GLU A 12 5.479 -14.043 4.524 1.00 0.00 C ATOM 143 CD GLU A 12 6.203 -15.300 4.965 1.00 0.00 C ATOM 144 OE1 GLU A 12 6.801 -15.975 4.102 1.00 0.00 O ATOM 145 OE2 GLU A 12 6.171 -15.608 6.175 1.00 0.00 O ATOM 0 H GLU A 12 4.617 -12.600 2.365 1.00 0.00 H new ATOM 0 HA GLU A 12 5.104 -11.374 4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.914 -13.272 3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.216 -12.826 4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.876 -13.667 5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.792 -14.289 3.714 1.00 0.00 H new ATOM 152 N ASP A 13 7.607 -10.580 2.651 1.00 0.00 N ATOM 153 CA ASP A 13 8.653 -9.591 2.418 1.00 0.00 C ATOM 154 C ASP A 13 8.051 -8.215 2.150 1.00 0.00 C ATOM 155 O ASP A 13 8.560 -7.201 2.625 1.00 0.00 O ATOM 156 CB ASP A 13 9.533 -10.016 1.242 1.00 0.00 C ATOM 157 CG ASP A 13 8.809 -9.917 -0.087 1.00 0.00 C ATOM 158 OD1 ASP A 13 8.813 -8.820 -0.685 1.00 0.00 O ATOM 159 OD2 ASP A 13 8.240 -10.936 -0.530 1.00 0.00 O ATOM 0 H ASP A 13 7.559 -11.316 1.947 1.00 0.00 H new ATOM 0 HA ASP A 13 9.267 -9.529 3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.425 -9.390 1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.868 -11.042 1.395 1.00 0.00 H new ATOM 164 N MET A 14 6.966 -8.190 1.383 1.00 0.00 N ATOM 165 CA MET A 14 6.295 -6.938 1.051 1.00 0.00 C ATOM 166 C MET A 14 5.874 -6.195 2.315 1.00 0.00 C ATOM 167 O MET A 14 6.296 -5.063 2.551 1.00 0.00 O ATOM 168 CB MET A 14 5.072 -7.208 0.172 1.00 0.00 C ATOM 169 CG MET A 14 4.206 -5.980 -0.058 1.00 0.00 C ATOM 170 SD MET A 14 2.939 -5.776 1.209 1.00 0.00 S ATOM 171 CE MET A 14 1.616 -6.773 0.528 1.00 0.00 C ATOM 0 H MET A 14 6.533 -9.021 0.980 1.00 0.00 H new ATOM 0 HA MET A 14 6.998 -6.312 0.501 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.405 -7.593 -0.792 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.467 -7.988 0.635 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.839 -5.093 -0.080 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.729 -6.055 -1.035 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.663 -6.444 0.941 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.599 -6.663 -0.556 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.780 -7.820 0.784 1.00 0.00 H new ATOM 181 N LYS A 15 5.040 -6.839 3.124 1.00 0.00 N ATOM 182 CA LYS A 15 4.562 -6.240 4.364 1.00 0.00 C ATOM 183 C LYS A 15 5.648 -5.385 5.009 1.00 0.00 C ATOM 184 O LYS A 15 5.395 -4.257 5.434 1.00 0.00 O ATOM 185 CB LYS A 15 4.109 -7.329 5.339 1.00 0.00 C ATOM 186 CG LYS A 15 3.023 -8.232 4.781 1.00 0.00 C ATOM 187 CD LYS A 15 2.647 -9.327 5.766 1.00 0.00 C ATOM 188 CE LYS A 15 1.517 -10.193 5.231 1.00 0.00 C ATOM 189 NZ LYS A 15 1.326 -11.422 6.050 1.00 0.00 N ATOM 0 H LYS A 15 4.681 -7.776 2.943 1.00 0.00 H new ATOM 0 HA LYS A 15 3.713 -5.599 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.970 -7.938 5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.745 -6.859 6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.141 -7.637 4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.366 -8.682 3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.518 -9.949 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.346 -8.879 6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.592 -9.617 5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.731 -10.473 4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.547 -11.986 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.201 -11.985 6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.097 -11.155 7.029 1.00 0.00 H new ATOM 203 N LYS A 16 6.859 -5.928 5.079 1.00 0.00 N ATOM 204 CA LYS A 16 7.985 -5.214 5.669 1.00 0.00 C ATOM 205 C LYS A 16 8.312 -3.957 4.870 1.00 0.00 C ATOM 206 O LYS A 16 8.067 -2.839 5.325 1.00 0.00 O ATOM 207 CB LYS A 16 9.214 -6.124 5.734 1.00 0.00 C ATOM 208 CG LYS A 16 9.224 -7.048 6.939 1.00 0.00 C ATOM 209 CD LYS A 16 10.344 -8.071 6.849 1.00 0.00 C ATOM 210 CE LYS A 16 10.314 -9.035 8.024 1.00 0.00 C ATOM 211 NZ LYS A 16 9.183 -9.998 7.923 1.00 0.00 N ATOM 0 H LYS A 16 7.086 -6.861 4.734 1.00 0.00 H new ATOM 0 HA LYS A 16 7.705 -4.917 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.259 -6.725 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.112 -5.507 5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.340 -6.459 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.266 -7.562 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.254 -8.629 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.305 -7.558 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.255 -9.583 8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.230 -8.472 8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.256 -10.701 8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.282 -9.486 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.220 -10.481 7.003 1.00 0.00 H new ATOM 225 N TYR A 17 8.864 -4.146 3.677 1.00 0.00 N ATOM 226 CA TYR A 17 9.225 -3.027 2.815 1.00 0.00 C ATOM 227 C TYR A 17 8.143 -1.952 2.837 1.00 0.00 C ATOM 228 O TYR A 17 8.380 -0.825 3.272 1.00 0.00 O ATOM 229 CB TYR A 17 9.450 -3.511 1.382 1.00 0.00 C ATOM 230 CG TYR A 17 9.558 -2.390 0.374 1.00 0.00 C ATOM 231 CD1 TYR A 17 8.423 -1.850 -0.219 1.00 0.00 C ATOM 232 CD2 TYR A 17 10.795 -1.869 0.015 1.00 0.00 C ATOM 233 CE1 TYR A 17 8.518 -0.826 -1.141 1.00 0.00 C ATOM 234 CE2 TYR A 17 10.899 -0.844 -0.905 1.00 0.00 C ATOM 235 CZ TYR A 17 9.757 -0.326 -1.481 1.00 0.00 C ATOM 236 OH TYR A 17 9.856 0.695 -2.398 1.00 0.00 O ATOM 0 H TYR A 17 9.071 -5.064 3.284 1.00 0.00 H new ATOM 0 HA TYR A 17 10.151 -2.593 3.194 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.361 -4.108 1.348 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.628 -4.168 1.096 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.450 -2.238 0.046 1.00 0.00 H new ATOM 0 HD2 TYR A 17 11.691 -2.273 0.463 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.626 -0.419 -1.593 1.00 0.00 H new ATOM 0 HE2 TYR A 17 11.869 -0.450 -1.172 1.00 0.00 H new ATOM 0 HH TYR A 17 9.642 1.547 -1.963 1.00 0.00 H new ATOM 246 N ALA A 18 6.953 -2.309 2.365 1.00 0.00 N ATOM 247 CA ALA A 18 5.833 -1.377 2.332 1.00 0.00 C ATOM 248 C ALA A 18 5.766 -0.554 3.613 1.00 0.00 C ATOM 249 O ALA A 18 5.724 0.675 3.570 1.00 0.00 O ATOM 250 CB ALA A 18 4.528 -2.129 2.116 1.00 0.00 C ATOM 0 H ALA A 18 6.740 -3.237 2.000 1.00 0.00 H new ATOM 0 HA ALA A 18 5.987 -0.691 1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.700 -1.421 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.571 -2.668 1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.377 -2.838 2.930 1.00 0.00 H new ATOM 256 N GLU A 19 5.755 -1.239 4.752 1.00 0.00 N ATOM 257 CA GLU A 19 5.692 -0.570 6.046 1.00 0.00 C ATOM 258 C GLU A 19 6.812 0.458 6.182 1.00 0.00 C ATOM 259 O GLU A 19 6.568 1.665 6.168 1.00 0.00 O ATOM 260 CB GLU A 19 5.783 -1.593 7.180 1.00 0.00 C ATOM 261 CG GLU A 19 5.119 -1.134 8.468 1.00 0.00 C ATOM 262 CD GLU A 19 5.223 -2.164 9.576 1.00 0.00 C ATOM 263 OE1 GLU A 19 4.478 -3.165 9.528 1.00 0.00 O ATOM 264 OE2 GLU A 19 6.050 -1.969 10.491 1.00 0.00 O ATOM 0 H GLU A 19 5.789 -2.257 4.805 1.00 0.00 H new ATOM 0 HA GLU A 19 4.736 -0.051 6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.321 -2.525 6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.832 -1.810 7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.579 -0.203 8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.068 -0.919 8.274 1.00 0.00 H new ATOM 271 N THR A 20 8.041 -0.030 6.314 1.00 0.00 N ATOM 272 CA THR A 20 9.199 0.844 6.455 1.00 0.00 C ATOM 273 C THR A 20 9.288 1.830 5.295 1.00 0.00 C ATOM 274 O THR A 20 10.026 2.814 5.359 1.00 0.00 O ATOM 275 CB THR A 20 10.508 0.036 6.528 1.00 0.00 C ATOM 276 OG1 THR A 20 11.558 0.850 7.062 1.00 0.00 O ATOM 277 CG2 THR A 20 10.906 -0.476 5.151 1.00 0.00 C ATOM 0 H THR A 20 8.260 -1.026 6.326 1.00 0.00 H new ATOM 0 HA THR A 20 9.068 1.394 7.387 1.00 0.00 H new ATOM 0 HB THR A 20 10.344 -0.820 7.183 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.554 1.723 6.617 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.833 -1.044 5.228 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.118 -1.120 4.760 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.052 0.368 4.477 1.00 0.00 H new ATOM 285 N PHE A 21 8.532 1.561 4.237 1.00 0.00 N ATOM 286 CA PHE A 21 8.525 2.424 3.062 1.00 0.00 C ATOM 287 C PHE A 21 7.404 3.455 3.150 1.00 0.00 C ATOM 288 O PHE A 21 7.434 4.482 2.472 1.00 0.00 O ATOM 289 CB PHE A 21 8.367 1.589 1.789 1.00 0.00 C ATOM 290 CG PHE A 21 8.124 2.414 0.558 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.169 3.079 -0.063 1.00 0.00 C ATOM 292 CD2 PHE A 21 6.852 2.523 0.020 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.948 3.839 -1.196 1.00 0.00 C ATOM 294 CE2 PHE A 21 6.625 3.281 -1.113 1.00 0.00 C ATOM 295 CZ PHE A 21 7.675 3.939 -1.723 1.00 0.00 C ATOM 0 H PHE A 21 7.915 0.751 4.169 1.00 0.00 H new ATOM 0 HA PHE A 21 9.478 2.952 3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.266 0.989 1.643 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.538 0.894 1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.167 3.003 0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.028 2.009 0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.770 4.355 -1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.628 3.359 -1.521 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.501 4.530 -2.610 1.00 0.00 H new ATOM 305 N LEU A 22 6.415 3.173 3.991 1.00 0.00 N ATOM 306 CA LEU A 22 5.282 4.074 4.169 1.00 0.00 C ATOM 307 C LEU A 22 5.198 4.566 5.611 1.00 0.00 C ATOM 308 O LEU A 22 4.239 5.234 5.994 1.00 0.00 O ATOM 309 CB LEU A 22 3.979 3.371 3.782 1.00 0.00 C ATOM 310 CG LEU A 22 3.848 2.962 2.315 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.583 2.145 2.100 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.850 4.190 1.417 1.00 0.00 C ATOM 0 H LEU A 22 6.375 2.328 4.560 1.00 0.00 H new ATOM 0 HA LEU A 22 5.430 4.936 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.874 2.478 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.147 4.029 4.031 1.00 0.00 H new ATOM 0 HG LEU A 22 4.706 2.343 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.506 1.863 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.621 1.246 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.714 2.740 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.756 3.880 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.012 4.835 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.784 4.736 1.550 1.00 0.00 H new ATOM 324 N GLU A 23 6.212 4.232 6.404 1.00 0.00 N ATOM 325 CA GLU A 23 6.253 4.642 7.803 1.00 0.00 C ATOM 326 C GLU A 23 6.144 6.159 7.929 1.00 0.00 C ATOM 327 O GLU A 23 5.255 6.689 8.596 1.00 0.00 O ATOM 328 CB GLU A 23 7.546 4.156 8.462 1.00 0.00 C ATOM 329 CG GLU A 23 7.409 2.807 9.148 1.00 0.00 C ATOM 330 CD GLU A 23 8.515 2.550 10.153 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.694 2.513 9.743 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.200 2.385 11.351 1.00 0.00 O ATOM 0 H GLU A 23 7.015 3.680 6.102 1.00 0.00 H new ATOM 0 HA GLU A 23 5.402 4.190 8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.328 4.092 7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.871 4.895 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.445 2.757 9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.416 2.018 8.396 1.00 0.00 H new ATOM 339 N PRO A 24 7.070 6.875 7.274 1.00 0.00 N ATOM 340 CA PRO A 24 7.100 8.340 7.297 1.00 0.00 C ATOM 341 C PRO A 24 5.937 8.956 6.526 1.00 0.00 C ATOM 342 O PRO A 24 5.740 10.171 6.548 1.00 0.00 O ATOM 343 CB PRO A 24 8.430 8.678 6.620 1.00 0.00 C ATOM 344 CG PRO A 24 8.718 7.507 5.745 1.00 0.00 C ATOM 345 CD PRO A 24 8.159 6.309 6.460 1.00 0.00 C ATOM 0 HA PRO A 24 7.009 8.734 8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.356 9.597 6.039 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.221 8.828 7.354 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.255 7.628 4.766 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.790 7.398 5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.790 5.559 5.760 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.913 5.823 7.079 1.00 0.00 H new ATOM 353 N TRP A 25 5.171 8.111 5.847 1.00 0.00 N ATOM 354 CA TRP A 25 4.027 8.573 5.069 1.00 0.00 C ATOM 355 C TRP A 25 2.720 8.288 5.801 1.00 0.00 C ATOM 356 O TRP A 25 1.738 9.014 5.643 1.00 0.00 O ATOM 357 CB TRP A 25 4.013 7.901 3.695 1.00 0.00 C ATOM 358 CG TRP A 25 4.769 8.667 2.652 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.330 9.756 1.955 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.097 8.400 2.186 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.304 10.182 1.085 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.398 9.367 1.208 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.061 7.439 2.502 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.621 9.398 0.544 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.275 7.471 1.843 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.547 8.445 0.873 1.00 0.00 C ATOM 0 H TRP A 25 5.321 7.102 5.819 1.00 0.00 H new ATOM 0 HA TRP A 25 4.121 9.651 4.937 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.440 6.902 3.783 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.980 7.779 3.369 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.359 10.215 2.071 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.225 10.977 0.450 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.861 6.684 3.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.832 10.148 -0.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.027 6.733 2.080 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.506 8.444 0.375 1.00 0.00 H new ATOM 377 N PHE A 26 2.715 7.228 6.602 1.00 0.00 N ATOM 378 CA PHE A 26 1.527 6.848 7.358 1.00 0.00 C ATOM 379 C PHE A 26 1.818 6.832 8.856 1.00 0.00 C ATOM 380 O PHE A 26 0.993 7.257 9.665 1.00 0.00 O ATOM 381 CB PHE A 26 1.031 5.472 6.910 1.00 0.00 C ATOM 382 CG PHE A 26 0.361 5.485 5.565 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.565 6.466 5.248 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.657 4.517 4.619 1.00 0.00 C ATOM 385 CE1 PHE A 26 -1.183 6.481 4.011 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.043 4.528 3.381 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.879 5.510 3.077 1.00 0.00 C ATOM 0 H PHE A 26 3.519 6.617 6.745 1.00 0.00 H new ATOM 0 HA PHE A 26 0.751 7.588 7.164 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.875 4.782 6.880 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.331 5.088 7.652 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.807 7.227 5.975 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.376 3.745 4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.903 7.251 3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.284 3.769 2.652 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.361 5.519 2.111 1.00 0.00 H new ATOM 397 N LYS A 27 2.997 6.339 9.219 1.00 0.00 N ATOM 398 CA LYS A 27 3.399 6.267 10.619 1.00 0.00 C ATOM 399 C LYS A 27 3.804 7.643 11.139 1.00 0.00 C ATOM 400 O LYS A 27 4.531 8.380 10.473 1.00 0.00 O ATOM 401 CB LYS A 27 4.560 5.285 10.787 1.00 0.00 C ATOM 402 CG LYS A 27 4.639 4.669 12.174 1.00 0.00 C ATOM 403 CD LYS A 27 5.866 3.785 12.322 1.00 0.00 C ATOM 404 CE LYS A 27 6.356 3.749 13.762 1.00 0.00 C ATOM 405 NZ LYS A 27 5.504 2.875 14.616 1.00 0.00 N ATOM 0 H LYS A 27 3.692 5.983 8.562 1.00 0.00 H new ATOM 0 HA LYS A 27 2.546 5.915 11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.461 4.488 10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.496 5.802 10.574 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.667 5.460 12.923 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.741 4.081 12.364 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.629 2.774 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.662 4.154 11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.385 3.389 13.787 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.362 4.760 14.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.871 2.877 15.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.527 3.232 14.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.518 1.904 14.243 1.00 0.00 H new ATOM 419 N ALA A 28 3.330 7.982 12.334 1.00 0.00 N ATOM 420 CA ALA A 28 3.646 9.267 12.944 1.00 0.00 C ATOM 421 C ALA A 28 5.114 9.626 12.740 1.00 0.00 C ATOM 422 O ALA A 28 5.965 8.763 12.524 1.00 0.00 O ATOM 423 CB ALA A 28 3.308 9.244 14.428 1.00 0.00 C ATOM 0 H ALA A 28 2.726 7.384 12.898 1.00 0.00 H new ATOM 0 HA ALA A 28 3.041 10.031 12.456 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.549 10.210 14.871 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.245 9.041 14.556 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.888 8.464 14.921 1.00 0.00 H new ATOM 429 N PRO A 29 5.420 10.930 12.808 1.00 0.00 N ATOM 430 CA PRO A 29 4.416 11.967 13.064 1.00 0.00 C ATOM 431 C PRO A 29 3.461 12.152 11.889 1.00 0.00 C ATOM 432 O PRO A 29 2.521 12.942 11.960 1.00 0.00 O ATOM 433 CB PRO A 29 5.255 13.229 13.275 1.00 0.00 C ATOM 434 CG PRO A 29 6.520 12.972 12.532 1.00 0.00 C ATOM 435 CD PRO A 29 6.770 11.493 12.640 1.00 0.00 C ATOM 0 HA PRO A 29 3.778 11.716 13.912 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.744 14.113 12.893 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.446 13.405 14.334 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.429 13.277 11.490 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.346 13.540 12.960 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.260 11.102 11.748 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.413 11.255 13.487 1.00 0.00 H new ATOM 443 N ASN A 30 3.709 11.417 10.810 1.00 0.00 N ATOM 444 CA ASN A 30 2.871 11.501 9.619 1.00 0.00 C ATOM 445 C ASN A 30 1.571 10.727 9.814 1.00 0.00 C ATOM 446 O ASN A 30 1.528 9.736 10.542 1.00 0.00 O ATOM 447 CB ASN A 30 3.623 10.958 8.402 1.00 0.00 C ATOM 448 CG ASN A 30 4.430 12.031 7.696 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.151 12.379 6.548 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.438 12.560 8.380 1.00 0.00 N ATOM 0 H ASN A 30 4.483 10.757 10.736 1.00 0.00 H new ATOM 0 HA ASN A 30 2.627 12.550 9.449 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.289 10.155 8.718 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.910 10.523 7.702 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.017 13.285 7.956 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.633 12.241 9.329 1.00 0.00 H new ATOM 457 N LYS A 31 0.512 11.186 9.156 1.00 0.00 N ATOM 458 CA LYS A 31 -0.791 10.538 9.254 1.00 0.00 C ATOM 459 C LYS A 31 -1.795 11.189 8.308 1.00 0.00 C ATOM 460 O LYS A 31 -1.582 12.303 7.831 1.00 0.00 O ATOM 461 CB LYS A 31 -1.310 10.606 10.692 1.00 0.00 C ATOM 462 CG LYS A 31 -1.227 11.994 11.303 1.00 0.00 C ATOM 463 CD LYS A 31 -2.308 12.207 12.351 1.00 0.00 C ATOM 464 CE LYS A 31 -3.608 12.683 11.721 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.611 13.076 12.749 1.00 0.00 N ATOM 0 H LYS A 31 0.530 12.005 8.548 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.672 9.493 8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.347 10.271 10.711 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.739 9.912 11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.246 12.135 11.757 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.326 12.744 10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.483 11.276 12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.968 12.939 13.083 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.406 13.532 11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.020 11.891 11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.247 13.799 12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.166 12.242 13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.122 13.462 13.582 1.00 0.00 H new ATOM 479 N GLY A 32 -2.892 10.486 8.041 1.00 0.00 N ATOM 480 CA GLY A 32 -3.913 11.012 7.154 1.00 0.00 C ATOM 481 C GLY A 32 -4.635 9.921 6.389 1.00 0.00 C ATOM 482 O GLY A 32 -4.680 8.770 6.827 1.00 0.00 O ATOM 0 H GLY A 32 -3.091 9.562 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.636 11.583 7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.455 11.704 6.448 1.00 0.00 H new ATOM 486 N THR A 33 -5.204 10.281 5.243 1.00 0.00 N ATOM 487 CA THR A 33 -5.930 9.325 4.417 1.00 0.00 C ATOM 488 C THR A 33 -5.113 8.923 3.194 1.00 0.00 C ATOM 489 O THR A 33 -4.069 9.511 2.911 1.00 0.00 O ATOM 490 CB THR A 33 -7.282 9.897 3.951 1.00 0.00 C ATOM 491 OG1 THR A 33 -7.088 11.181 3.347 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.248 10.021 5.119 1.00 0.00 C ATOM 0 H THR A 33 -5.176 11.228 4.866 1.00 0.00 H new ATOM 0 HA THR A 33 -6.110 8.446 5.036 1.00 0.00 H new ATOM 0 HB THR A 33 -7.709 9.212 3.218 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.918 11.466 2.911 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.196 10.427 4.766 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.416 9.038 5.558 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.826 10.687 5.871 1.00 0.00 H new ATOM 500 N PHE A 34 -5.594 7.917 2.471 1.00 0.00 N ATOM 501 CA PHE A 34 -4.908 7.436 1.278 1.00 0.00 C ATOM 502 C PHE A 34 -5.794 6.475 0.491 1.00 0.00 C ATOM 503 O PHE A 34 -6.825 6.020 0.985 1.00 0.00 O ATOM 504 CB PHE A 34 -3.599 6.743 1.661 1.00 0.00 C ATOM 505 CG PHE A 34 -3.775 5.648 2.674 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.017 5.949 4.004 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.697 4.317 2.295 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.180 4.944 4.939 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.860 3.308 3.226 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.100 3.621 4.549 1.00 0.00 C ATOM 0 H PHE A 34 -6.457 7.419 2.691 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.685 8.296 0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.141 6.327 0.764 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.906 7.486 2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.079 6.982 4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.507 4.066 1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.370 5.193 5.973 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.800 2.275 2.918 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.225 2.833 5.277 1.00 0.00 H new ATOM 520 N GLN A 35 -5.384 6.172 -0.737 1.00 0.00 N ATOM 521 CA GLN A 35 -6.141 5.266 -1.593 1.00 0.00 C ATOM 522 C GLN A 35 -5.213 4.290 -2.308 1.00 0.00 C ATOM 523 O GLN A 35 -4.355 4.696 -3.093 1.00 0.00 O ATOM 524 CB GLN A 35 -6.954 6.059 -2.617 1.00 0.00 C ATOM 525 CG GLN A 35 -6.133 7.084 -3.383 1.00 0.00 C ATOM 526 CD GLN A 35 -6.810 7.535 -4.663 1.00 0.00 C ATOM 527 OE1 GLN A 35 -7.584 8.492 -4.665 1.00 0.00 O ATOM 528 NE2 GLN A 35 -6.520 6.846 -5.761 1.00 0.00 N ATOM 0 H GLN A 35 -4.533 6.540 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.822 4.695 -0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.406 5.365 -3.326 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.770 6.569 -2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.954 7.950 -2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.159 6.658 -3.622 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.873 6.059 -5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.945 7.104 -6.652 1.00 0.00 H new ATOM 537 N ILE A 36 -5.389 3.003 -2.032 1.00 0.00 N ATOM 538 CA ILE A 36 -4.568 1.969 -2.650 1.00 0.00 C ATOM 539 C ILE A 36 -5.171 1.505 -3.971 1.00 0.00 C ATOM 540 O ILE A 36 -6.391 1.404 -4.108 1.00 0.00 O ATOM 541 CB ILE A 36 -4.399 0.754 -1.720 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.682 1.165 -0.432 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.632 -0.353 -2.429 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.809 0.149 0.681 1.00 0.00 C ATOM 0 H ILE A 36 -6.093 2.651 -1.384 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.590 2.412 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.387 0.375 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.626 1.324 -0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.084 2.119 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.520 -1.205 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.179 -0.661 -3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.647 0.014 -2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.277 0.507 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.862 0.007 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.380 -0.800 0.358 1.00 0.00 H new ATOM 556 N VAL A 37 -4.309 1.220 -4.942 1.00 0.00 N ATOM 557 CA VAL A 37 -4.756 0.762 -6.252 1.00 0.00 C ATOM 558 C VAL A 37 -3.808 -0.288 -6.820 1.00 0.00 C ATOM 559 O VAL A 37 -2.601 -0.065 -6.912 1.00 0.00 O ATOM 560 CB VAL A 37 -4.864 1.932 -7.248 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.294 1.429 -8.618 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.832 2.985 -6.730 1.00 0.00 C ATOM 0 H VAL A 37 -3.297 1.298 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.742 0.320 -6.113 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.881 2.393 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.365 2.269 -9.308 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.560 0.715 -8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.266 0.942 -8.538 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.896 3.804 -7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.818 2.540 -6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.476 3.367 -5.773 1.00 0.00 H new ATOM 572 N TYR A 38 -4.364 -1.434 -7.199 1.00 0.00 N ATOM 573 CA TYR A 38 -3.568 -2.521 -7.757 1.00 0.00 C ATOM 574 C TYR A 38 -3.405 -2.359 -9.265 1.00 0.00 C ATOM 575 O TYR A 38 -4.385 -2.344 -10.010 1.00 0.00 O ATOM 576 CB TYR A 38 -4.219 -3.870 -7.445 1.00 0.00 C ATOM 577 CG TYR A 38 -3.539 -5.040 -8.118 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.312 -5.510 -7.666 1.00 0.00 C ATOM 579 CD2 TYR A 38 -4.124 -5.678 -9.205 1.00 0.00 C ATOM 580 CE1 TYR A 38 -1.686 -6.578 -8.278 1.00 0.00 C ATOM 581 CE2 TYR A 38 -3.506 -6.748 -9.823 1.00 0.00 C ATOM 582 CZ TYR A 38 -2.288 -7.195 -9.356 1.00 0.00 C ATOM 583 OH TYR A 38 -1.669 -8.261 -9.967 1.00 0.00 O ATOM 0 H TYR A 38 -5.362 -1.634 -7.130 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.580 -2.487 -7.298 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.211 -4.027 -6.366 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.264 -3.840 -7.755 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.839 -5.032 -6.821 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.078 -5.331 -9.573 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.731 -6.928 -7.915 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.974 -7.232 -10.667 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.225 -8.581 -10.708 1.00 0.00 H new ATOM 593 N LYS A 39 -2.158 -2.237 -9.709 1.00 0.00 N ATOM 594 CA LYS A 39 -1.863 -2.078 -11.128 1.00 0.00 C ATOM 595 C LYS A 39 -0.978 -3.214 -11.630 1.00 0.00 C ATOM 596 O LYS A 39 0.207 -3.282 -11.304 1.00 0.00 O ATOM 597 CB LYS A 39 -1.176 -0.733 -11.379 1.00 0.00 C ATOM 598 CG LYS A 39 -2.028 0.465 -10.997 1.00 0.00 C ATOM 599 CD LYS A 39 -1.536 1.736 -11.670 1.00 0.00 C ATOM 600 CE LYS A 39 -2.101 1.877 -13.075 1.00 0.00 C ATOM 601 NZ LYS A 39 -1.388 1.006 -14.050 1.00 0.00 N ATOM 0 H LYS A 39 -1.335 -2.245 -9.106 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.805 -2.106 -11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.244 -0.700 -10.815 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.913 -0.660 -12.434 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.065 0.280 -11.279 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.011 0.595 -9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.824 2.601 -11.072 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.447 1.728 -11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.161 1.622 -13.067 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.026 2.917 -13.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.422 1.441 -14.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.397 0.894 -13.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.847 0.073 -14.082 1.00 0.00 H new ATOM 615 N SER A 40 -1.561 -4.104 -12.427 1.00 0.00 N ATOM 616 CA SER A 40 -0.825 -5.239 -12.973 1.00 0.00 C ATOM 617 C SER A 40 -0.979 -5.307 -14.489 1.00 0.00 C ATOM 618 O SER A 40 -1.870 -4.680 -15.063 1.00 0.00 O ATOM 619 CB SER A 40 -1.314 -6.543 -12.340 1.00 0.00 C ATOM 620 OG SER A 40 -1.129 -7.638 -13.220 1.00 0.00 O ATOM 0 H SER A 40 -2.540 -4.061 -12.709 1.00 0.00 H new ATOM 0 HA SER A 40 0.231 -5.103 -12.738 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.774 -6.724 -11.410 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.370 -6.453 -12.083 1.00 0.00 H new ATOM 0 HG SER A 40 -1.448 -8.460 -12.791 1.00 0.00 H new ATOM 626 N ARG A 41 -0.104 -6.074 -15.132 1.00 0.00 N ATOM 627 CA ARG A 41 -0.141 -6.224 -16.582 1.00 0.00 C ATOM 628 C ARG A 41 -0.225 -7.696 -16.974 1.00 0.00 C ATOM 629 O ARG A 41 -1.198 -8.130 -17.589 1.00 0.00 O ATOM 630 CB ARG A 41 1.098 -5.587 -17.214 1.00 0.00 C ATOM 631 CG ARG A 41 1.010 -5.453 -18.725 1.00 0.00 C ATOM 632 CD ARG A 41 2.257 -4.797 -19.300 1.00 0.00 C ATOM 633 NE ARG A 41 2.429 -5.098 -20.718 1.00 0.00 N ATOM 634 CZ ARG A 41 3.593 -5.009 -21.352 1.00 0.00 C ATOM 635 NH1 ARG A 41 4.681 -4.631 -20.697 1.00 0.00 N ATOM 636 NH2 ARG A 41 3.670 -5.300 -22.645 1.00 0.00 N ATOM 0 H ARG A 41 0.639 -6.601 -14.672 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.031 -5.716 -16.952 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.251 -4.600 -16.778 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.973 -6.186 -16.961 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.877 -6.438 -19.172 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.132 -4.863 -18.989 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.194 -3.717 -19.164 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.133 -5.138 -18.748 1.00 0.00 H new ATOM 0 HE ARG A 41 1.611 -5.393 -21.251 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.626 -4.407 -19.703 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.573 -4.564 -21.186 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.835 -5.592 -23.153 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.564 -5.231 -23.131 1.00 0.00 H new ATOM 650 N ASN A 42 0.802 -8.459 -16.613 1.00 0.00 N ATOM 651 CA ASN A 42 0.845 -9.882 -16.928 1.00 0.00 C ATOM 652 C ASN A 42 1.100 -10.710 -15.672 1.00 0.00 C ATOM 653 O ASN A 42 1.949 -11.600 -15.665 1.00 0.00 O ATOM 654 CB ASN A 42 1.932 -10.163 -17.968 1.00 0.00 C ATOM 655 CG ASN A 42 3.249 -9.497 -17.621 1.00 0.00 C ATOM 656 OD1 ASN A 42 3.452 -8.316 -17.900 1.00 0.00 O ATOM 657 ND2 ASN A 42 4.152 -10.255 -17.010 1.00 0.00 N ATOM 0 H ASN A 42 1.615 -8.115 -16.102 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.124 -10.167 -17.339 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.083 -11.239 -18.050 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.597 -9.812 -18.944 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.057 -9.862 -16.753 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.940 -11.230 -16.798 1.00 0.00 H new ATOM 664 N ASN A 43 0.358 -10.410 -14.612 1.00 0.00 N ATOM 665 CA ASN A 43 0.503 -11.126 -13.349 1.00 0.00 C ATOM 666 C ASN A 43 -0.852 -11.597 -12.832 1.00 0.00 C ATOM 667 O ASN A 43 -1.482 -10.929 -12.012 1.00 0.00 O ATOM 668 CB ASN A 43 1.177 -10.232 -12.307 1.00 0.00 C ATOM 669 CG ASN A 43 2.690 -10.333 -12.349 1.00 0.00 C ATOM 670 OD1 ASN A 43 3.304 -10.190 -13.406 1.00 0.00 O ATOM 671 ND2 ASN A 43 3.298 -10.582 -11.195 1.00 0.00 N ATOM 0 H ASN A 43 -0.350 -9.676 -14.602 1.00 0.00 H new ATOM 0 HA ASN A 43 1.128 -12.001 -13.526 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.880 -9.197 -12.474 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.825 -10.508 -11.313 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.314 -10.662 -11.161 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.749 -10.693 -10.343 1.00 0.00 H new ATOM 678 N SER A 44 -1.295 -12.753 -13.316 1.00 0.00 N ATOM 679 CA SER A 44 -2.577 -13.313 -12.905 1.00 0.00 C ATOM 680 C SER A 44 -2.378 -14.585 -12.087 1.00 0.00 C ATOM 681 O SER A 44 -3.050 -15.592 -12.309 1.00 0.00 O ATOM 682 CB SER A 44 -3.444 -13.612 -14.130 1.00 0.00 C ATOM 683 OG SER A 44 -2.856 -14.617 -14.938 1.00 0.00 O ATOM 0 H SER A 44 -0.785 -13.320 -13.993 1.00 0.00 H new ATOM 0 HA SER A 44 -3.083 -12.576 -12.281 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.435 -13.933 -13.809 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.578 -12.702 -14.715 1.00 0.00 H new ATOM 0 HG SER A 44 -3.430 -14.791 -15.713 1.00 0.00 H new ATOM 689 N HIS A 45 -1.448 -14.531 -11.139 1.00 0.00 N ATOM 690 CA HIS A 45 -1.158 -15.678 -10.285 1.00 0.00 C ATOM 691 C HIS A 45 -1.597 -15.411 -8.849 1.00 0.00 C ATOM 692 O HIS A 45 -2.402 -16.153 -8.286 1.00 0.00 O ATOM 693 CB HIS A 45 0.335 -16.005 -10.323 1.00 0.00 C ATOM 694 CG HIS A 45 0.903 -16.051 -11.708 1.00 0.00 C ATOM 695 ND1 HIS A 45 0.671 -17.092 -12.582 1.00 0.00 N ATOM 696 CD2 HIS A 45 1.696 -15.176 -12.370 1.00 0.00 C ATOM 697 CE1 HIS A 45 1.298 -16.857 -13.721 1.00 0.00 C ATOM 698 NE2 HIS A 45 1.927 -15.700 -13.618 1.00 0.00 N ATOM 0 H HIS A 45 -0.882 -13.705 -10.943 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.718 -16.533 -10.664 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.877 -15.259 -9.742 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.500 -16.968 -9.839 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.076 -14.240 -11.988 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.297 -17.501 -14.588 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.493 -15.266 -14.347 1.00 0.00 H new ATOM 706 N VAL A 46 -1.061 -14.346 -8.260 1.00 0.00 N ATOM 707 CA VAL A 46 -1.397 -13.981 -6.889 1.00 0.00 C ATOM 708 C VAL A 46 -2.598 -13.042 -6.849 1.00 0.00 C ATOM 709 O VAL A 46 -2.709 -12.125 -7.661 1.00 0.00 O ATOM 710 CB VAL A 46 -0.208 -13.306 -6.180 1.00 0.00 C ATOM 711 CG1 VAL A 46 0.263 -12.092 -6.967 1.00 0.00 C ATOM 712 CG2 VAL A 46 -0.586 -12.917 -4.759 1.00 0.00 C ATOM 0 H VAL A 46 -0.393 -13.721 -8.711 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.644 -14.905 -6.367 1.00 0.00 H new ATOM 0 HB VAL A 46 0.615 -14.019 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.104 -11.628 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.576 -12.403 -7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.553 -11.374 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.266 -12.441 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.425 -12.221 -4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.870 -13.809 -4.201 1.00 0.00 H new ATOM 722 N ASN A 47 -3.495 -13.279 -5.897 1.00 0.00 N ATOM 723 CA ASN A 47 -4.689 -12.454 -5.751 1.00 0.00 C ATOM 724 C ASN A 47 -4.316 -10.996 -5.502 1.00 0.00 C ATOM 725 O ASN A 47 -3.469 -10.696 -4.661 1.00 0.00 O ATOM 726 CB ASN A 47 -5.555 -12.973 -4.601 1.00 0.00 C ATOM 727 CG ASN A 47 -4.733 -13.631 -3.510 1.00 0.00 C ATOM 728 OD1 ASN A 47 -5.092 -14.694 -3.002 1.00 0.00 O ATOM 729 ND2 ASN A 47 -3.624 -13.000 -3.143 1.00 0.00 N ATOM 0 H ASN A 47 -3.418 -14.034 -5.216 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.256 -12.512 -6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.123 -12.146 -4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.279 -13.690 -4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.031 -13.394 -2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.365 -12.121 -3.591 1.00 0.00 H new ATOM 736 N ARG A 48 -4.954 -10.093 -6.240 1.00 0.00 N ATOM 737 CA ARG A 48 -4.689 -8.666 -6.101 1.00 0.00 C ATOM 738 C ARG A 48 -5.359 -8.109 -4.848 1.00 0.00 C ATOM 739 O ARG A 48 -4.881 -7.141 -4.256 1.00 0.00 O ATOM 740 CB ARG A 48 -5.184 -7.911 -7.335 1.00 0.00 C ATOM 741 CG ARG A 48 -6.698 -7.878 -7.462 1.00 0.00 C ATOM 742 CD ARG A 48 -7.287 -6.648 -6.788 1.00 0.00 C ATOM 743 NE ARG A 48 -8.739 -6.589 -6.931 1.00 0.00 N ATOM 744 CZ ARG A 48 -9.437 -5.459 -6.883 1.00 0.00 C ATOM 745 NH1 ARG A 48 -8.818 -4.301 -6.697 1.00 0.00 N ATOM 746 NH2 ARG A 48 -10.756 -5.486 -7.021 1.00 0.00 N ATOM 0 H ARG A 48 -5.658 -10.325 -6.940 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.612 -8.529 -6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.808 -6.888 -7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.763 -8.375 -8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.976 -7.885 -8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.121 -8.777 -7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.027 -6.655 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.843 -5.751 -7.219 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.245 -7.463 -7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.804 -4.276 -6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.356 -3.435 -6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.236 -6.375 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.291 -4.618 -6.984 1.00 0.00 H new ATOM 760 N GLU A 49 -6.467 -8.727 -4.450 1.00 0.00 N ATOM 761 CA GLU A 49 -7.201 -8.291 -3.269 1.00 0.00 C ATOM 762 C GLU A 49 -6.321 -8.358 -2.024 1.00 0.00 C ATOM 763 O GLU A 49 -6.114 -7.355 -1.343 1.00 0.00 O ATOM 764 CB GLU A 49 -8.450 -9.153 -3.070 1.00 0.00 C ATOM 765 CG GLU A 49 -9.432 -9.077 -4.228 1.00 0.00 C ATOM 766 CD GLU A 49 -9.084 -10.034 -5.351 1.00 0.00 C ATOM 767 OE1 GLU A 49 -8.790 -11.212 -5.059 1.00 0.00 O ATOM 768 OE2 GLU A 49 -9.106 -9.604 -6.524 1.00 0.00 O ATOM 0 H GLU A 49 -6.875 -9.530 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.503 -7.255 -3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.147 -10.190 -2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.955 -8.841 -2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.435 -9.299 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.452 -8.059 -4.616 1.00 0.00 H new ATOM 775 N GLU A 50 -5.805 -9.549 -1.735 1.00 0.00 N ATOM 776 CA GLU A 50 -4.948 -9.748 -0.573 1.00 0.00 C ATOM 777 C GLU A 50 -3.879 -8.662 -0.493 1.00 0.00 C ATOM 778 O GLU A 50 -3.623 -8.103 0.574 1.00 0.00 O ATOM 779 CB GLU A 50 -4.287 -11.127 -0.628 1.00 0.00 C ATOM 780 CG GLU A 50 -5.156 -12.241 -0.068 1.00 0.00 C ATOM 781 CD GLU A 50 -6.489 -12.356 -0.781 1.00 0.00 C ATOM 782 OE1 GLU A 50 -7.292 -11.403 -0.695 1.00 0.00 O ATOM 783 OE2 GLU A 50 -6.729 -13.398 -1.425 1.00 0.00 O ATOM 0 H GLU A 50 -5.966 -10.390 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.571 -9.687 0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.036 -11.359 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.350 -11.094 -0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.622 -13.188 -0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.330 -12.062 0.993 1.00 0.00 H new ATOM 790 N VAL A 51 -3.256 -8.369 -1.630 1.00 0.00 N ATOM 791 CA VAL A 51 -2.214 -7.351 -1.691 1.00 0.00 C ATOM 792 C VAL A 51 -2.750 -5.990 -1.262 1.00 0.00 C ATOM 793 O VAL A 51 -2.179 -5.332 -0.391 1.00 0.00 O ATOM 794 CB VAL A 51 -1.625 -7.234 -3.109 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.513 -6.196 -3.142 1.00 0.00 C ATOM 796 CG2 VAL A 51 -1.117 -8.586 -3.587 1.00 0.00 C ATOM 0 H VAL A 51 -3.455 -8.822 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.427 -7.662 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.414 -6.907 -3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.109 -6.127 -4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.912 -5.226 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.279 -6.490 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.704 -8.485 -4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.341 -8.943 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.941 -9.299 -3.604 1.00 0.00 H new ATOM 806 N ILE A 52 -3.852 -5.573 -1.878 1.00 0.00 N ATOM 807 CA ILE A 52 -4.466 -4.291 -1.558 1.00 0.00 C ATOM 808 C ILE A 52 -5.014 -4.283 -0.135 1.00 0.00 C ATOM 809 O ILE A 52 -4.560 -3.512 0.711 1.00 0.00 O ATOM 810 CB ILE A 52 -5.607 -3.954 -2.537 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.082 -3.917 -3.973 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.247 -2.624 -2.167 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.167 -4.065 -5.017 1.00 0.00 C ATOM 0 H ILE A 52 -4.337 -6.105 -2.601 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.685 -3.536 -1.648 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.367 -4.732 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.559 -2.975 -4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.351 -4.715 -4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.051 -2.400 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.652 -2.684 -1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.497 -1.834 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.722 -4.030 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.675 -5.019 -4.881 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.886 -3.253 -4.912 1.00 0.00 H new ATOM 825 N ARG A 53 -5.990 -5.147 0.123 1.00 0.00 N ATOM 826 CA ARG A 53 -6.598 -5.241 1.444 1.00 0.00 C ATOM 827 C ARG A 53 -5.532 -5.239 2.536 1.00 0.00 C ATOM 828 O ARG A 53 -5.616 -4.478 3.498 1.00 0.00 O ATOM 829 CB ARG A 53 -7.449 -6.508 1.549 1.00 0.00 C ATOM 830 CG ARG A 53 -8.526 -6.608 0.481 1.00 0.00 C ATOM 831 CD ARG A 53 -9.515 -5.458 0.577 1.00 0.00 C ATOM 832 NE ARG A 53 -10.845 -5.839 0.108 1.00 0.00 N ATOM 833 CZ ARG A 53 -11.609 -6.739 0.716 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.178 -7.347 1.813 1.00 0.00 N ATOM 835 NH2 ARG A 53 -12.808 -7.032 0.228 1.00 0.00 N ATOM 0 H ARG A 53 -6.377 -5.792 -0.566 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.238 -4.370 1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.798 -7.380 1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.920 -6.539 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.062 -6.609 -0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.056 -7.555 0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.578 -5.120 1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.150 -4.616 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.207 -5.389 -0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.258 -7.124 2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.767 -8.038 2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.143 -6.566 -0.615 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.394 -7.723 0.696 1.00 0.00 H new ATOM 849 N GLU A 54 -4.530 -6.099 2.378 1.00 0.00 N ATOM 850 CA GLU A 54 -3.448 -6.197 3.350 1.00 0.00 C ATOM 851 C GLU A 54 -2.667 -4.888 3.430 1.00 0.00 C ATOM 852 O GLU A 54 -2.530 -4.298 4.502 1.00 0.00 O ATOM 853 CB GLU A 54 -2.505 -7.345 2.984 1.00 0.00 C ATOM 854 CG GLU A 54 -1.281 -7.437 3.879 1.00 0.00 C ATOM 855 CD GLU A 54 -1.578 -8.110 5.206 1.00 0.00 C ATOM 856 OE1 GLU A 54 -2.294 -9.133 5.204 1.00 0.00 O ATOM 857 OE2 GLU A 54 -1.095 -7.613 6.244 1.00 0.00 O ATOM 0 H GLU A 54 -4.446 -6.737 1.587 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.889 -6.397 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.054 -8.285 3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.181 -7.222 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.498 -7.992 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.894 -6.435 4.063 1.00 0.00 H new ATOM 864 N LEU A 55 -2.156 -4.441 2.288 1.00 0.00 N ATOM 865 CA LEU A 55 -1.388 -3.203 2.227 1.00 0.00 C ATOM 866 C LEU A 55 -2.031 -2.120 3.087 1.00 0.00 C ATOM 867 O LEU A 55 -1.339 -1.318 3.714 1.00 0.00 O ATOM 868 CB LEU A 55 -1.275 -2.720 0.780 1.00 0.00 C ATOM 869 CG LEU A 55 -0.103 -3.282 -0.026 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.377 -3.168 -1.517 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.187 -2.563 0.338 1.00 0.00 C ATOM 0 H LEU A 55 -2.260 -4.918 1.392 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.390 -3.405 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.200 -2.971 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.198 -1.633 0.786 1.00 0.00 H new ATOM 0 HG LEU A 55 0.011 -4.337 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.468 -3.573 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.278 -3.729 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.518 -2.120 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.010 -2.976 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.085 -1.500 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.391 -2.698 1.400 1.00 0.00 H new ATOM 883 N ALA A 56 -3.360 -2.104 3.114 1.00 0.00 N ATOM 884 CA ALA A 56 -4.097 -1.123 3.901 1.00 0.00 C ATOM 885 C ALA A 56 -4.094 -1.492 5.380 1.00 0.00 C ATOM 886 O ALA A 56 -3.800 -0.659 6.237 1.00 0.00 O ATOM 887 CB ALA A 56 -5.524 -0.999 3.388 1.00 0.00 C ATOM 0 H ALA A 56 -3.948 -2.760 2.600 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.599 -0.159 3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.063 -0.263 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.510 -0.680 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.024 -1.965 3.465 1.00 0.00 H new ATOM 893 N GLY A 57 -4.425 -2.746 5.673 1.00 0.00 N ATOM 894 CA GLY A 57 -4.455 -3.202 7.050 1.00 0.00 C ATOM 895 C GLY A 57 -3.168 -2.898 7.791 1.00 0.00 C ATOM 896 O GLY A 57 -3.165 -2.764 9.015 1.00 0.00 O ATOM 0 H GLY A 57 -4.673 -3.454 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.289 -2.728 7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.636 -4.277 7.069 1.00 0.00 H new ATOM 900 N ILE A 58 -2.071 -2.791 7.048 1.00 0.00 N ATOM 901 CA ILE A 58 -0.772 -2.502 7.642 1.00 0.00 C ATOM 902 C ILE A 58 -0.604 -1.008 7.896 1.00 0.00 C ATOM 903 O ILE A 58 -0.048 -0.599 8.916 1.00 0.00 O ATOM 904 CB ILE A 58 0.379 -2.991 6.743 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.233 -4.487 6.458 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.722 -2.700 7.397 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.158 -4.989 5.372 1.00 0.00 C ATOM 0 H ILE A 58 -2.056 -2.900 6.034 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.733 -3.036 8.591 1.00 0.00 H new ATOM 0 HB ILE A 58 0.334 -2.454 5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.427 -5.044 7.375 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.798 -4.695 6.171 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.526 -3.051 6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.825 -1.626 7.554 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.778 -3.214 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.999 -6.057 5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.949 -4.459 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.193 -4.813 5.666 1.00 0.00 H new ATOM 919 N VAL A 59 -1.090 -0.196 6.963 1.00 0.00 N ATOM 920 CA VAL A 59 -0.997 1.254 7.087 1.00 0.00 C ATOM 921 C VAL A 59 -1.593 1.732 8.406 1.00 0.00 C ATOM 922 O VAL A 59 -1.280 2.825 8.880 1.00 0.00 O ATOM 923 CB VAL A 59 -1.716 1.964 5.924 1.00 0.00 C ATOM 924 CG1 VAL A 59 -1.672 3.473 6.110 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.099 1.564 4.593 1.00 0.00 C ATOM 0 H VAL A 59 -1.552 -0.518 6.113 1.00 0.00 H new ATOM 0 HA VAL A 59 0.063 1.507 7.058 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.761 1.653 5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.185 3.957 5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.165 3.739 7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.634 3.806 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.619 2.075 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.046 1.844 4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.189 0.486 4.459 1.00 0.00 H new ATOM 935 N CYS A 60 -2.451 0.906 8.995 1.00 0.00 N ATOM 936 CA CYS A 60 -3.091 1.245 10.261 1.00 0.00 C ATOM 937 C CYS A 60 -2.147 0.993 11.432 1.00 0.00 C ATOM 938 O CYS A 60 -1.964 1.854 12.294 1.00 0.00 O ATOM 939 CB CYS A 60 -4.374 0.432 10.441 1.00 0.00 C ATOM 940 SG CYS A 60 -5.268 0.794 11.970 1.00 0.00 S ATOM 0 H CYS A 60 -2.719 -0.002 8.616 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.341 2.306 10.241 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.033 0.621 9.594 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.125 -0.629 10.421 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.339 0.059 12.031 1.00 0.00 H new ATOM 946 N THR A 61 -1.549 -0.194 11.459 1.00 0.00 N ATOM 947 CA THR A 61 -0.626 -0.561 12.525 1.00 0.00 C ATOM 948 C THR A 61 0.369 0.561 12.802 1.00 0.00 C ATOM 949 O THR A 61 0.900 0.675 13.907 1.00 0.00 O ATOM 950 CB THR A 61 0.150 -1.846 12.180 1.00 0.00 C ATOM 951 OG1 THR A 61 0.548 -2.516 13.381 1.00 0.00 O ATOM 952 CG2 THR A 61 1.378 -1.527 11.340 1.00 0.00 C ATOM 0 H THR A 61 -1.688 -0.918 10.754 1.00 0.00 H new ATOM 0 HA THR A 61 -1.228 -0.738 13.416 1.00 0.00 H new ATOM 0 HB THR A 61 -0.507 -2.497 11.603 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.039 -3.333 13.153 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.910 -2.450 11.109 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.069 -1.044 10.413 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.035 -0.859 11.896 1.00 0.00 H new ATOM 960 N LEU A 62 0.617 1.388 11.792 1.00 0.00 N ATOM 961 CA LEU A 62 1.548 2.502 11.926 1.00 0.00 C ATOM 962 C LEU A 62 0.958 3.602 12.803 1.00 0.00 C ATOM 963 O LEU A 62 1.482 3.904 13.874 1.00 0.00 O ATOM 964 CB LEU A 62 1.901 3.067 10.549 1.00 0.00 C ATOM 965 CG LEU A 62 2.371 2.051 9.508 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.295 2.645 8.110 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.787 1.586 9.816 1.00 0.00 C ATOM 0 H LEU A 62 0.186 1.308 10.871 1.00 0.00 H new ATOM 0 HA LEU A 62 2.455 2.129 12.402 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.026 3.583 10.155 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.683 3.816 10.675 1.00 0.00 H new ATOM 0 HG LEU A 62 1.710 1.186 9.549 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.633 1.907 7.382 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.265 2.926 7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.932 3.528 8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.104 0.863 9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.462 2.442 9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.811 1.119 10.801 1.00 0.00 H new ATOM 979 N ASN A 63 -0.138 4.196 12.341 1.00 0.00 N ATOM 980 CA ASN A 63 -0.801 5.262 13.084 1.00 0.00 C ATOM 981 C ASN A 63 -2.315 5.074 13.070 1.00 0.00 C ATOM 982 O ASN A 63 -2.915 4.868 12.016 1.00 0.00 O ATOM 983 CB ASN A 63 -0.439 6.626 12.493 1.00 0.00 C ATOM 984 CG ASN A 63 -0.447 7.728 13.534 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.143 7.637 14.546 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.329 8.777 13.291 1.00 0.00 N ATOM 0 H ASN A 63 -0.586 3.957 11.456 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.457 5.219 14.117 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.549 6.570 12.035 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.144 6.874 11.700 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.365 9.550 13.956 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.889 8.811 12.439 1.00 0.00 H new ATOM 993 N SER A 64 -2.925 5.148 14.249 1.00 0.00 N ATOM 994 CA SER A 64 -4.369 4.983 14.373 1.00 0.00 C ATOM 995 C SER A 64 -5.109 6.077 13.609 1.00 0.00 C ATOM 996 O SER A 64 -6.253 5.894 13.196 1.00 0.00 O ATOM 997 CB SER A 64 -4.781 5.005 15.846 1.00 0.00 C ATOM 998 OG SER A 64 -6.173 4.784 15.990 1.00 0.00 O ATOM 0 H SER A 64 -2.443 5.321 15.131 1.00 0.00 H new ATOM 0 HA SER A 64 -4.638 4.019 13.942 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.230 4.240 16.392 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.515 5.966 16.287 1.00 0.00 H new ATOM 0 HG SER A 64 -6.410 4.801 16.941 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.445 7.214 13.426 1.00 0.00 N ATOM 1005 CA GLU A 65 -5.040 8.338 12.713 1.00 0.00 C ATOM 1006 C GLU A 65 -5.134 8.046 11.218 1.00 0.00 C ATOM 1007 O GLU A 65 -5.865 8.714 10.490 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.219 9.609 12.945 1.00 0.00 C ATOM 1009 CG GLU A 65 -4.245 10.097 14.383 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.652 10.360 14.885 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.346 11.208 14.287 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -6.058 9.717 15.876 1.00 0.00 O ATOM 0 H GLU A 65 -3.496 7.381 13.761 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.048 8.489 13.100 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.186 9.422 12.652 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.597 10.399 12.295 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.768 9.355 15.023 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.658 11.012 14.463 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.388 7.042 10.770 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.386 6.661 9.362 1.00 0.00 C ATOM 1021 C ASN A 66 -5.712 6.016 8.971 1.00 0.00 C ATOM 1022 O ASN A 66 -6.189 5.097 9.637 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.233 5.696 9.075 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.879 6.306 9.383 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.683 7.513 9.243 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.936 5.470 9.803 1.00 0.00 N ATOM 0 H ASN A 66 -3.777 6.478 11.361 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.252 7.565 8.767 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.364 4.791 9.668 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.264 5.398 8.027 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.004 5.822 10.024 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.144 4.477 9.904 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.304 6.505 7.887 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.575 5.977 7.404 1.00 0.00 C ATOM 1035 C LYS A 67 -7.668 6.087 5.886 1.00 0.00 C ATOM 1036 O LYS A 67 -7.880 7.172 5.344 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.741 6.726 8.053 1.00 0.00 C ATOM 1038 CG LYS A 67 -9.031 6.284 9.477 1.00 0.00 C ATOM 1039 CD LYS A 67 -9.776 4.960 9.509 1.00 0.00 C ATOM 1040 CE LYS A 67 -10.467 4.741 10.846 1.00 0.00 C ATOM 1041 NZ LYS A 67 -9.502 4.357 11.913 1.00 0.00 N ATOM 0 H LYS A 67 -5.924 7.267 7.325 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.630 4.923 7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.522 7.794 8.050 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.636 6.582 7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.095 6.189 10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.622 7.047 9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.515 4.938 8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.078 4.144 9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.988 5.652 11.139 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.222 3.962 10.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.012 4.217 12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.022 3.474 11.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.796 5.112 12.031 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.511 4.957 5.204 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.581 4.926 3.748 1.00 0.00 C ATOM 1057 C VAL A 68 -8.944 5.396 3.253 1.00 0.00 C ATOM 1058 O VAL A 68 -9.971 4.793 3.565 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.308 3.511 3.203 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.242 2.500 3.850 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.450 3.488 1.689 1.00 0.00 C ATOM 0 H VAL A 68 -7.334 4.050 5.637 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.811 5.604 3.379 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.284 3.235 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.034 1.506 3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.086 2.499 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.276 2.769 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.254 2.481 1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.462 3.784 1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.736 4.182 1.246 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.946 6.475 2.479 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.183 7.026 1.938 1.00 0.00 C ATOM 1073 C ASP A 69 -10.156 7.027 0.413 1.00 0.00 C ATOM 1074 O ASP A 69 -9.099 7.183 -0.200 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.404 8.447 2.458 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.871 8.830 2.490 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.680 8.036 3.013 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.209 9.924 1.991 1.00 0.00 O ATOM 0 H ASP A 69 -8.105 6.986 2.212 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.008 6.395 2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.987 8.533 3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.861 9.150 1.826 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.325 6.852 -0.195 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.436 6.833 -1.649 1.00 0.00 C ATOM 1085 C LEU A 70 -12.178 8.065 -2.156 1.00 0.00 C ATOM 1086 O LEU A 70 -12.446 8.195 -3.351 1.00 0.00 O ATOM 1087 CB LEU A 70 -12.157 5.564 -2.108 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.572 4.242 -1.610 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.469 3.079 -2.005 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -10.166 4.042 -2.156 1.00 0.00 C ATOM 0 H LEU A 70 -12.209 6.721 0.297 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.429 6.843 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.196 5.623 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.163 5.548 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.516 4.278 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.037 2.147 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.457 3.216 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.557 3.040 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.765 3.096 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.197 4.027 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.527 4.860 -1.823 1.00 0.00 H new ATOM 1102 N THR A 71 -12.507 8.970 -1.239 1.00 0.00 N ATOM 1103 CA THR A 71 -13.218 10.192 -1.592 1.00 0.00 C ATOM 1104 C THR A 71 -12.299 11.405 -1.510 1.00 0.00 C ATOM 1105 O THR A 71 -12.171 12.165 -2.469 1.00 0.00 O ATOM 1106 CB THR A 71 -14.433 10.421 -0.673 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.324 9.302 -0.752 1.00 0.00 O ATOM 1108 CG2 THR A 71 -15.173 11.692 -1.061 1.00 0.00 C ATOM 0 H THR A 71 -12.292 8.879 -0.246 1.00 0.00 H new ATOM 0 HA THR A 71 -13.565 10.070 -2.618 1.00 0.00 H new ATOM 0 HB THR A 71 -14.072 10.527 0.350 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.093 9.454 -0.164 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.027 11.833 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.501 12.546 -0.973 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.522 11.610 -2.090 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.660 11.581 -0.358 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.751 12.703 -0.151 1.00 0.00 C ATOM 1118 C ASN A 72 -9.416 12.226 0.412 1.00 0.00 C ATOM 1119 O ASN A 72 -8.985 12.639 1.489 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.380 13.728 0.795 1.00 0.00 C ATOM 1121 CG ASN A 72 -12.196 14.772 0.057 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -11.645 15.653 -0.603 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -13.516 14.678 0.168 1.00 0.00 N ATOM 0 H ASN A 72 -11.755 10.961 0.447 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.569 13.174 -1.117 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.018 13.212 1.512 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.594 14.222 1.366 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.117 15.353 -0.305 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.929 13.931 0.726 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.744 11.335 -0.332 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.448 10.783 0.072 1.00 0.00 C ATOM 1132 C PRO A 73 -6.332 11.820 0.013 1.00 0.00 C ATOM 1133 O PRO A 73 -6.331 12.695 -0.852 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.201 9.672 -0.952 1.00 0.00 C ATOM 1135 CG PRO A 73 -7.986 10.081 -2.151 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.198 10.799 -1.626 1.00 0.00 C ATOM 0 HA PRO A 73 -7.457 10.435 1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.141 9.578 -1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.531 8.704 -0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.398 10.730 -2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.273 9.213 -2.744 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.517 11.594 -2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.045 10.123 -1.506 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.384 11.716 0.939 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.263 12.646 0.991 1.00 0.00 C ATOM 1146 C GLN A 74 -3.051 12.080 0.257 1.00 0.00 C ATOM 1147 O GLN A 74 -2.298 12.818 -0.378 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.895 12.954 2.444 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.838 13.942 3.113 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.243 14.560 4.363 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -3.080 14.325 4.693 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -5.039 15.357 5.066 1.00 0.00 N ATOM 0 H GLN A 74 -5.370 10.997 1.663 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.567 13.569 0.497 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.891 12.025 3.014 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.881 13.353 2.477 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.091 14.732 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.768 13.434 3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.996 15.524 4.756 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.693 15.802 5.916 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.870 10.768 0.349 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.748 10.104 -0.304 1.00 0.00 C ATOM 1163 C TYR A 75 -2.222 8.895 -1.105 1.00 0.00 C ATOM 1164 O TYR A 75 -2.899 8.011 -0.577 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.712 9.667 0.734 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.264 10.785 1.649 1.00 0.00 C ATOM 1167 CD1 TYR A 75 -0.966 11.081 2.811 1.00 0.00 C ATOM 1168 CD2 TYR A 75 0.860 11.544 1.351 1.00 0.00 C ATOM 1169 CE1 TYR A 75 -0.560 12.101 3.649 1.00 0.00 C ATOM 1170 CE2 TYR A 75 1.274 12.565 2.184 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.560 12.840 3.332 1.00 0.00 C ATOM 1172 OH TYR A 75 0.968 13.857 4.164 1.00 0.00 O ATOM 0 H TYR A 75 -3.486 10.143 0.869 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.288 10.815 -0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.131 8.861 1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.158 9.260 0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.843 10.504 3.063 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.420 11.332 0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -1.117 12.319 4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.151 13.145 1.938 1.00 0.00 H new ATOM 0 HH TYR A 75 1.885 14.117 3.938 1.00 0.00 H new ATOM 1182 N THR A 76 -1.862 8.862 -2.384 1.00 0.00 N ATOM 1183 CA THR A 76 -2.250 7.764 -3.260 1.00 0.00 C ATOM 1184 C THR A 76 -1.135 6.730 -3.371 1.00 0.00 C ATOM 1185 O THR A 76 -0.101 6.981 -3.990 1.00 0.00 O ATOM 1186 CB THR A 76 -2.608 8.269 -4.670 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.647 9.251 -4.589 1.00 0.00 O ATOM 1188 CG2 THR A 76 -3.058 7.120 -5.559 1.00 0.00 C ATOM 0 H THR A 76 -1.302 9.584 -2.837 1.00 0.00 H new ATOM 0 HA THR A 76 -3.130 7.300 -2.814 1.00 0.00 H new ATOM 0 HB THR A 76 -1.717 8.718 -5.108 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.868 9.569 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.305 7.502 -6.550 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.254 6.388 -5.642 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.937 6.645 -5.123 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.352 5.565 -2.768 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.366 4.492 -2.802 1.00 0.00 C ATOM 1198 C VAL A 77 -0.714 3.459 -3.867 1.00 0.00 C ATOM 1199 O VAL A 77 -1.574 2.602 -3.660 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.257 3.787 -1.436 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.734 4.512 -0.539 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.623 3.698 -0.772 1.00 0.00 C ATOM 0 H VAL A 77 -2.202 5.341 -2.250 1.00 0.00 H new ATOM 0 HA VAL A 77 0.593 4.951 -3.044 1.00 0.00 H new ATOM 0 HB VAL A 77 0.110 2.773 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.798 4.000 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.716 4.519 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.400 5.537 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.527 3.197 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.020 4.702 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.301 3.131 -1.410 1.00 0.00 H new ATOM 1212 N VAL A 78 -0.040 3.545 -5.010 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.277 2.616 -6.109 1.00 0.00 C ATOM 1214 C VAL A 78 0.772 1.510 -6.129 1.00 0.00 C ATOM 1215 O VAL A 78 1.955 1.756 -5.895 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.267 3.341 -7.468 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.140 4.586 -7.415 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.156 3.694 -7.873 1.00 0.00 C ATOM 0 H VAL A 78 0.674 4.248 -5.199 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.261 2.177 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.678 2.670 -8.222 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.121 5.085 -8.384 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.164 4.302 -7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.761 5.264 -6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.144 4.206 -8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.597 4.347 -7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.748 2.782 -7.954 1.00 0.00 H new ATOM 1228 N VAL A 79 0.330 0.288 -6.410 1.00 0.00 N ATOM 1229 CA VAL A 79 1.230 -0.858 -6.462 1.00 0.00 C ATOM 1230 C VAL A 79 1.301 -1.437 -7.870 1.00 0.00 C ATOM 1231 O VAL A 79 0.369 -2.098 -8.327 1.00 0.00 O ATOM 1232 CB VAL A 79 0.788 -1.964 -5.485 1.00 0.00 C ATOM 1233 CG1 VAL A 79 0.852 -1.466 -4.050 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.613 -2.448 -5.828 1.00 0.00 C ATOM 0 H VAL A 79 -0.646 0.066 -6.605 1.00 0.00 H new ATOM 0 HA VAL A 79 2.217 -0.499 -6.170 1.00 0.00 H new ATOM 0 HB VAL A 79 1.473 -2.806 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.536 -2.261 -3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.874 -1.172 -3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.191 -0.607 -3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.910 -3.229 -5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.313 -1.615 -5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.622 -2.847 -6.842 1.00 0.00 H new ATOM 1244 N GLU A 80 2.414 -1.184 -8.552 1.00 0.00 N ATOM 1245 CA GLU A 80 2.606 -1.681 -9.910 1.00 0.00 C ATOM 1246 C GLU A 80 3.463 -2.944 -9.911 1.00 0.00 C ATOM 1247 O GLU A 80 4.285 -3.149 -9.017 1.00 0.00 O ATOM 1248 CB GLU A 80 3.260 -0.607 -10.782 1.00 0.00 C ATOM 1249 CG GLU A 80 3.314 -0.970 -12.256 1.00 0.00 C ATOM 1250 CD GLU A 80 3.754 0.191 -13.127 1.00 0.00 C ATOM 1251 OE1 GLU A 80 3.009 1.190 -13.204 1.00 0.00 O ATOM 1252 OE2 GLU A 80 4.843 0.101 -13.732 1.00 0.00 O ATOM 0 H GLU A 80 3.195 -0.639 -8.187 1.00 0.00 H new ATOM 0 HA GLU A 80 1.627 -1.927 -10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.710 0.327 -10.666 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.273 -0.427 -10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.001 -1.805 -12.396 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.330 -1.309 -12.579 1.00 0.00 H new ATOM 1259 N ILE A 81 3.264 -3.786 -10.919 1.00 0.00 N ATOM 1260 CA ILE A 81 4.018 -5.027 -11.037 1.00 0.00 C ATOM 1261 C ILE A 81 4.925 -5.006 -12.263 1.00 0.00 C ATOM 1262 O ILE A 81 4.489 -5.302 -13.375 1.00 0.00 O ATOM 1263 CB ILE A 81 3.083 -6.248 -11.126 1.00 0.00 C ATOM 1264 CG1 ILE A 81 1.905 -6.087 -10.163 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.850 -7.526 -10.825 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.247 -6.429 -8.729 1.00 0.00 C ATOM 0 H ILE A 81 2.587 -3.631 -11.666 1.00 0.00 H new ATOM 0 HA ILE A 81 4.628 -5.111 -10.138 1.00 0.00 H new ATOM 0 HB ILE A 81 2.691 -6.314 -12.141 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.547 -5.058 -10.208 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.085 -6.724 -10.495 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.175 -8.380 -10.892 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.658 -7.644 -11.547 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.268 -7.472 -9.820 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.366 -6.292 -8.102 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.576 -7.466 -8.671 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.046 -5.775 -8.379 1.00 0.00 H new ATOM 1278 N ILE A 82 6.189 -4.655 -12.050 1.00 0.00 N ATOM 1279 CA ILE A 82 7.158 -4.597 -13.137 1.00 0.00 C ATOM 1280 C ILE A 82 8.057 -5.829 -13.138 1.00 0.00 C ATOM 1281 O ILE A 82 9.058 -5.882 -12.423 1.00 0.00 O ATOM 1282 CB ILE A 82 8.036 -3.335 -13.043 1.00 0.00 C ATOM 1283 CG1 ILE A 82 7.163 -2.092 -12.867 1.00 0.00 C ATOM 1284 CG2 ILE A 82 8.911 -3.205 -14.281 1.00 0.00 C ATOM 1285 CD1 ILE A 82 6.850 -1.772 -11.422 1.00 0.00 C ATOM 0 H ILE A 82 6.565 -4.407 -11.135 1.00 0.00 H new ATOM 0 HA ILE A 82 6.588 -4.564 -14.066 1.00 0.00 H new ATOM 0 HB ILE A 82 8.685 -3.426 -12.172 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.667 -1.237 -13.319 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.228 -2.235 -13.410 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.526 -2.308 -14.200 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.555 -4.080 -14.365 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.280 -3.133 -15.167 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.227 -0.879 -11.374 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.318 -2.610 -10.971 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.779 -1.597 -10.879 1.00 0.00 H new ATOM 1297 N LYS A 83 7.694 -6.819 -13.947 1.00 0.00 N ATOM 1298 CA LYS A 83 8.468 -8.051 -14.045 1.00 0.00 C ATOM 1299 C LYS A 83 8.395 -8.845 -12.744 1.00 0.00 C ATOM 1300 O LYS A 83 9.407 -9.337 -12.248 1.00 0.00 O ATOM 1301 CB LYS A 83 9.928 -7.735 -14.380 1.00 0.00 C ATOM 1302 CG LYS A 83 10.093 -6.838 -15.594 1.00 0.00 C ATOM 1303 CD LYS A 83 11.550 -6.472 -15.823 1.00 0.00 C ATOM 1304 CE LYS A 83 12.339 -7.649 -16.375 1.00 0.00 C ATOM 1305 NZ LYS A 83 12.290 -7.701 -17.863 1.00 0.00 N ATOM 0 H LYS A 83 6.868 -6.792 -14.545 1.00 0.00 H new ATOM 0 HA LYS A 83 8.040 -8.656 -14.844 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.394 -7.256 -13.519 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.463 -8.669 -14.553 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.701 -7.343 -16.477 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.506 -5.930 -15.459 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.611 -5.634 -16.517 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.995 -6.142 -14.885 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.376 -7.576 -16.048 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.940 -8.577 -15.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.840 -8.517 -18.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.302 -7.796 -18.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.694 -6.826 -18.254 1.00 0.00 H new ATOM 1319 N ALA A 84 7.189 -8.966 -12.198 1.00 0.00 N ATOM 1320 CA ALA A 84 6.983 -9.703 -10.957 1.00 0.00 C ATOM 1321 C ALA A 84 7.668 -9.007 -9.785 1.00 0.00 C ATOM 1322 O ALA A 84 8.204 -9.660 -8.890 1.00 0.00 O ATOM 1323 CB ALA A 84 7.495 -11.128 -11.099 1.00 0.00 C ATOM 0 H ALA A 84 6.340 -8.563 -12.595 1.00 0.00 H new ATOM 0 HA ALA A 84 5.913 -9.732 -10.753 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.335 -11.667 -10.165 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.957 -11.629 -11.904 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.560 -11.111 -11.330 1.00 0.00 H new ATOM 1329 N VAL A 85 7.646 -7.678 -9.797 1.00 0.00 N ATOM 1330 CA VAL A 85 8.264 -6.894 -8.735 1.00 0.00 C ATOM 1331 C VAL A 85 7.263 -5.928 -8.111 1.00 0.00 C ATOM 1332 O VAL A 85 6.583 -5.182 -8.817 1.00 0.00 O ATOM 1333 CB VAL A 85 9.474 -6.096 -9.258 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.017 -4.797 -9.906 1.00 0.00 C ATOM 1335 CG2 VAL A 85 10.458 -5.821 -8.131 1.00 0.00 C ATOM 0 H VAL A 85 7.207 -7.122 -10.531 1.00 0.00 H new ATOM 0 HA VAL A 85 8.604 -7.600 -7.977 1.00 0.00 H new ATOM 0 HB VAL A 85 9.982 -6.694 -10.015 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.885 -4.247 -10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.353 -5.021 -10.741 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.485 -4.192 -9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.306 -5.257 -8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.964 -5.243 -7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.810 -6.766 -7.716 1.00 0.00 H new ATOM 1345 N CYS A 86 7.179 -5.947 -6.786 1.00 0.00 N ATOM 1346 CA CYS A 86 6.260 -5.072 -6.066 1.00 0.00 C ATOM 1347 C CYS A 86 6.792 -3.643 -6.020 1.00 0.00 C ATOM 1348 O CYS A 86 7.704 -3.334 -5.252 1.00 0.00 O ATOM 1349 CB CYS A 86 6.037 -5.592 -4.645 1.00 0.00 C ATOM 1350 SG CYS A 86 4.612 -4.860 -3.806 1.00 0.00 S ATOM 0 H CYS A 86 7.735 -6.558 -6.188 1.00 0.00 H new ATOM 0 HA CYS A 86 5.309 -5.069 -6.598 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.907 -6.674 -4.682 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.932 -5.398 -4.054 1.00 0.00 H new ATOM 0 HG CYS A 86 4.832 -4.828 -2.525 1.00 0.00 H new ATOM 1356 N CYS A 87 6.218 -2.778 -6.848 1.00 0.00 N ATOM 1357 CA CYS A 87 6.637 -1.381 -6.904 1.00 0.00 C ATOM 1358 C CYS A 87 5.576 -0.471 -6.294 1.00 0.00 C ATOM 1359 O CYS A 87 4.479 -0.327 -6.835 1.00 0.00 O ATOM 1360 CB CYS A 87 6.910 -0.967 -8.351 1.00 0.00 C ATOM 1361 SG CYS A 87 8.603 -1.286 -8.902 1.00 0.00 S ATOM 0 H CYS A 87 5.462 -3.018 -7.489 1.00 0.00 H new ATOM 0 HA CYS A 87 7.555 -1.279 -6.325 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.220 -1.498 -9.006 1.00 0.00 H new ATOM 0 HB3 CYS A 87 6.698 0.097 -8.460 1.00 0.00 H new ATOM 0 HG CYS A 87 8.910 -0.462 -9.859 1.00 0.00 H new ATOM 1367 N LEU A 88 5.909 0.141 -5.163 1.00 0.00 N ATOM 1368 CA LEU A 88 4.985 1.037 -4.476 1.00 0.00 C ATOM 1369 C LEU A 88 5.288 2.493 -4.813 1.00 0.00 C ATOM 1370 O LEU A 88 6.410 2.964 -4.625 1.00 0.00 O ATOM 1371 CB LEU A 88 5.065 0.824 -2.964 1.00 0.00 C ATOM 1372 CG LEU A 88 4.169 -0.275 -2.392 1.00 0.00 C ATOM 1373 CD1 LEU A 88 4.771 -1.646 -2.655 1.00 0.00 C ATOM 1374 CD2 LEU A 88 3.950 -0.063 -0.901 1.00 0.00 C ATOM 0 H LEU A 88 6.812 0.033 -4.702 1.00 0.00 H new ATOM 0 HA LEU A 88 3.975 0.807 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.098 0.594 -2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.813 1.763 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 88 3.201 -0.225 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.119 -2.415 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.874 -1.798 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.752 -1.709 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.310 -0.855 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.910 -0.086 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.473 0.903 -0.737 1.00 0.00 H new ATOM 1386 N SER A 89 4.279 3.203 -5.309 1.00 0.00 N ATOM 1387 CA SER A 89 4.438 4.606 -5.674 1.00 0.00 C ATOM 1388 C SER A 89 3.464 5.483 -4.893 1.00 0.00 C ATOM 1389 O SER A 89 2.248 5.309 -4.977 1.00 0.00 O ATOM 1390 CB SER A 89 4.218 4.793 -7.176 1.00 0.00 C ATOM 1391 OG SER A 89 3.723 6.089 -7.462 1.00 0.00 O ATOM 0 H SER A 89 3.343 2.830 -5.467 1.00 0.00 H new ATOM 0 HA SER A 89 5.455 4.908 -5.423 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.157 4.634 -7.707 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.515 4.044 -7.540 1.00 0.00 H new ATOM 0 HG SER A 89 3.592 6.183 -8.429 1.00 0.00 H new ATOM 1397 N VAL A 90 4.008 6.428 -4.132 1.00 0.00 N ATOM 1398 CA VAL A 90 3.188 7.334 -3.336 1.00 0.00 C ATOM 1399 C VAL A 90 3.058 8.694 -4.012 1.00 0.00 C ATOM 1400 O VAL A 90 4.013 9.202 -4.599 1.00 0.00 O ATOM 1401 CB VAL A 90 3.775 7.529 -1.925 1.00 0.00 C ATOM 1402 CG1 VAL A 90 2.822 8.336 -1.057 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.082 6.183 -1.286 1.00 0.00 C ATOM 0 H VAL A 90 5.012 6.586 -4.050 1.00 0.00 H new ATOM 0 HA VAL A 90 2.202 6.877 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 90 4.708 8.086 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.254 8.463 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.657 9.314 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.871 7.810 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.496 6.339 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.165 5.599 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.805 5.646 -1.899 1.00 0.00 H new ATOM 1413 N VAL A 91 1.868 9.280 -3.925 1.00 0.00 N ATOM 1414 CA VAL A 91 1.612 10.583 -4.527 1.00 0.00 C ATOM 1415 C VAL A 91 0.872 11.500 -3.559 1.00 0.00 C ATOM 1416 O VAL A 91 -0.274 11.240 -3.194 1.00 0.00 O ATOM 1417 CB VAL A 91 0.789 10.451 -5.823 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.637 11.805 -6.499 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.435 9.445 -6.763 1.00 0.00 C ATOM 0 H VAL A 91 1.066 8.873 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 91 2.583 11.018 -4.765 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.206 10.087 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.053 11.692 -7.412 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.127 12.493 -5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.622 12.202 -6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.841 9.364 -7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.442 9.777 -7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.486 8.472 -6.275 1.00 0.00 H new ATOM 1429 N LYS A 92 1.535 12.575 -3.148 1.00 0.00 N ATOM 1430 CA LYS A 92 0.941 13.534 -2.224 1.00 0.00 C ATOM 1431 C LYS A 92 0.017 14.499 -2.960 1.00 0.00 C ATOM 1432 O LYS A 92 0.470 15.322 -3.754 1.00 0.00 O ATOM 1433 CB LYS A 92 2.036 14.316 -1.494 1.00 0.00 C ATOM 1434 CG LYS A 92 1.542 15.042 -0.255 1.00 0.00 C ATOM 1435 CD LYS A 92 2.588 16.004 0.282 1.00 0.00 C ATOM 1436 CE LYS A 92 3.507 15.325 1.287 1.00 0.00 C ATOM 1437 NZ LYS A 92 4.566 16.247 1.781 1.00 0.00 N ATOM 0 H LYS A 92 2.485 12.804 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 92 0.351 12.979 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.833 13.629 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.472 15.042 -2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.630 15.590 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.285 14.315 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.179 16.399 -0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.094 16.853 0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.919 14.963 2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.971 14.454 0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.171 15.747 2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.144 16.573 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.124 17.066 2.245 1.00 0.00 H new ATOM 1451 N SER A 93 -1.280 14.391 -2.689 1.00 0.00 N ATOM 1452 CA SER A 93 -2.268 15.253 -3.327 1.00 0.00 C ATOM 1453 C SER A 93 -3.021 16.078 -2.288 1.00 0.00 C ATOM 1454 O SER A 93 -3.344 15.589 -1.207 1.00 0.00 O ATOM 1455 CB SER A 93 -3.254 14.416 -4.144 1.00 0.00 C ATOM 1456 OG SER A 93 -3.984 13.532 -3.311 1.00 0.00 O ATOM 0 H SER A 93 -1.671 13.715 -2.032 1.00 0.00 H new ATOM 0 HA SER A 93 -1.742 15.935 -3.995 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.943 15.074 -4.674 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.713 13.846 -4.899 1.00 0.00 H new ATOM 0 HG SER A 93 -4.609 13.009 -3.856 1.00 0.00 H new ATOM 1462 N GLY A 94 -3.298 17.334 -2.626 1.00 0.00 N ATOM 1463 CA GLY A 94 -4.012 18.208 -1.713 1.00 0.00 C ATOM 1464 C GLY A 94 -3.209 19.439 -1.343 1.00 0.00 C ATOM 1465 O GLY A 94 -1.978 19.428 -1.348 1.00 0.00 O ATOM 0 H GLY A 94 -3.041 17.762 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.953 18.515 -2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.263 17.656 -0.807 1.00 0.00 H new ATOM 1469 N PRO A 95 -3.912 20.532 -1.012 1.00 0.00 N ATOM 1470 CA PRO A 95 -3.277 21.797 -0.633 1.00 0.00 C ATOM 1471 C PRO A 95 -2.584 21.714 0.723 1.00 0.00 C ATOM 1472 O PRO A 95 -2.694 20.709 1.426 1.00 0.00 O ATOM 1473 CB PRO A 95 -4.450 22.779 -0.574 1.00 0.00 C ATOM 1474 CG PRO A 95 -5.642 21.929 -0.299 1.00 0.00 C ATOM 1475 CD PRO A 95 -5.382 20.616 -0.984 1.00 0.00 C ATOM 0 HA PRO A 95 -2.495 22.087 -1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.305 23.523 0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.559 23.322 -1.513 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.782 21.789 0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -6.550 22.395 -0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -5.822 19.783 -0.436 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.805 20.596 -1.988 1.00 0.00 H new ATOM 1483 N SER A 96 -1.872 22.776 1.085 1.00 0.00 N ATOM 1484 CA SER A 96 -1.158 22.822 2.356 1.00 0.00 C ATOM 1485 C SER A 96 -2.131 22.734 3.528 1.00 0.00 C ATOM 1486 O SER A 96 -3.316 23.036 3.390 1.00 0.00 O ATOM 1487 CB SER A 96 -0.334 24.107 2.457 1.00 0.00 C ATOM 1488 OG SER A 96 0.474 24.104 3.621 1.00 0.00 O ATOM 0 H SER A 96 -1.774 23.617 0.516 1.00 0.00 H new ATOM 0 HA SER A 96 -0.486 21.965 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.296 24.209 1.573 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.000 24.970 2.475 1.00 0.00 H new ATOM 0 HG SER A 96 0.992 24.935 3.662 1.00 0.00 H new ATOM 1494 N SER A 97 -1.620 22.318 4.683 1.00 0.00 N ATOM 1495 CA SER A 97 -2.442 22.186 5.879 1.00 0.00 C ATOM 1496 C SER A 97 -1.744 22.800 7.089 1.00 0.00 C ATOM 1497 O SER A 97 -1.001 22.125 7.800 1.00 0.00 O ATOM 1498 CB SER A 97 -2.754 20.713 6.150 1.00 0.00 C ATOM 1499 OG SER A 97 -3.467 20.557 7.365 1.00 0.00 O ATOM 0 H SER A 97 -0.640 22.067 4.815 1.00 0.00 H new ATOM 0 HA SER A 97 -3.375 22.722 5.708 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.340 20.305 5.326 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.826 20.144 6.194 1.00 0.00 H new ATOM 0 HG SER A 97 -3.655 19.607 7.514 1.00 0.00 H new ATOM 1505 N GLY A 98 -1.990 24.087 7.316 1.00 0.00 N ATOM 1506 CA GLY A 98 -1.378 24.772 8.439 1.00 0.00 C ATOM 1507 C GLY A 98 -2.096 26.059 8.794 1.00 0.00 C ATOM 1508 O GLY A 98 -1.517 26.948 9.419 1.00 0.00 O ATOM 0 H GLY A 98 -2.602 24.667 6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.374 24.111 9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.337 24.993 8.202 1.00 0.00 H new TER 1512 GLY A 98