USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 843 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 92 SER OG : rot -68:sc= -0.708 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= -0.104 USER MOD Set 2.1: A 75 GLN : amide:sc= -1.19 K(o=-1.4,f=-4!) USER MOD Set 2.2: A 82 TYR OH : rot 15:sc= -0.215 USER MOD Set 3.1: A 18 SER OG : rot 50:sc= 0.464 USER MOD Set 3.2: A 27 GLN : amide:sc= -7.93! C(o=-7.5!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0968 (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 MET CE :methyl -142:sc= -0.237 (180deg=-1.01) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.763 USER MOD Single : A 24 LYS NZ :NH3+ 166:sc=-0.00666 (180deg=-0.181) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -4.8! C(o=-4.8!,f=-3.6!) USER MOD Single : A 37 ASN : amide:sc= 0.827 K(o=0.83,f=-0.99) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -68:sc= -1.15 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.08 K(o=-1.1,f=-4.3!) USER MOD Single : A 54 GLN : amide:sc= -0.622 X(o=-0.62,f=-0.62) USER MOD Single : A 56 MET CE :methyl -156:sc= -4.11! (180deg=-5.91!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0.00229 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -7.24! C(o=-7.2!,f=-6.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.465 K(o=-0.47,f=-1.9!) USER MOD Single : A 70 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.17) USER MOD Single : A 78 ASN : amide:sc= -2.04 X(o=-2,f=-1.7!) USER MOD Single : A 83 CYS SG : rot 180:sc= -2.24 USER MOD Single : A 86 TYR OH : rot -99:sc= 1.05 USER MOD Single : A 88 SER OG : rot -140:sc= -0.0355 USER MOD Single : A 93 LYS NZ :NH3+ 152:sc= -0.0366 (180deg=-0.56) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc=-0.00822 X(o=-0.0082,f=0.42) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.953 -8.295 7.675 1.00 0.00 N ATOM 2 CA GLY A 1 -23.912 -7.205 7.601 1.00 0.00 C ATOM 3 C GLY A 1 -24.383 -6.986 6.162 1.00 0.00 C ATOM 4 O GLY A 1 -24.118 -7.808 5.286 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.306 -9.024 8.327 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.824 -8.709 6.730 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.042 -7.933 8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.768 -7.426 8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.458 -6.290 7.982 1.00 0.00 H new ATOM 8 N SER A 2 -25.073 -5.873 5.963 1.00 0.00 N ATOM 9 CA SER A 2 -25.584 -5.535 4.645 1.00 0.00 C ATOM 10 C SER A 2 -24.824 -4.332 4.082 1.00 0.00 C ATOM 11 O SER A 2 -24.561 -3.368 4.799 1.00 0.00 O ATOM 12 CB SER A 2 -27.084 -5.239 4.695 1.00 0.00 C ATOM 13 OG SER A 2 -27.410 -4.304 5.719 1.00 0.00 O ATOM 0 H SER A 2 -25.290 -5.194 6.692 1.00 0.00 H new ATOM 0 HA SER A 2 -25.432 -6.392 3.989 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.409 -4.848 3.731 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.631 -6.167 4.864 1.00 0.00 H new ATOM 0 HG SER A 2 -28.376 -4.140 5.717 1.00 0.00 H new ATOM 19 N SER A 3 -24.493 -4.428 2.803 1.00 0.00 N ATOM 20 CA SER A 3 -23.768 -3.360 2.135 1.00 0.00 C ATOM 21 C SER A 3 -22.406 -3.157 2.800 1.00 0.00 C ATOM 22 O SER A 3 -22.243 -3.433 3.988 1.00 0.00 O ATOM 23 CB SER A 3 -24.568 -2.055 2.155 1.00 0.00 C ATOM 24 OG SER A 3 -24.000 -1.068 1.300 1.00 0.00 O ATOM 0 H SER A 3 -24.713 -5.229 2.211 1.00 0.00 H new ATOM 0 HA SER A 3 -23.618 -3.647 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.594 -2.254 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.610 -1.671 3.174 1.00 0.00 H new ATOM 0 HG SER A 3 -24.540 -0.251 1.339 1.00 0.00 H new ATOM 30 N GLY A 4 -21.461 -2.676 2.005 1.00 0.00 N ATOM 31 CA GLY A 4 -20.117 -2.433 2.502 1.00 0.00 C ATOM 32 C GLY A 4 -19.113 -2.354 1.350 1.00 0.00 C ATOM 33 O GLY A 4 -19.472 -1.985 0.233 1.00 0.00 O ATOM 0 H GLY A 4 -21.599 -2.448 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.098 -1.503 3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.829 -3.231 3.187 1.00 0.00 H new ATOM 37 N SER A 5 -17.874 -2.707 1.662 1.00 0.00 N ATOM 38 CA SER A 5 -16.816 -2.680 0.667 1.00 0.00 C ATOM 39 C SER A 5 -16.072 -4.017 0.658 1.00 0.00 C ATOM 40 O SER A 5 -15.861 -4.621 1.709 1.00 0.00 O ATOM 41 CB SER A 5 -15.840 -1.532 0.931 1.00 0.00 C ATOM 42 OG SER A 5 -15.639 -0.725 -0.226 1.00 0.00 O ATOM 0 H SER A 5 -17.580 -3.013 2.589 1.00 0.00 H new ATOM 0 HA SER A 5 -17.270 -2.517 -0.310 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.220 -0.913 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.884 -1.938 1.260 1.00 0.00 H new ATOM 0 HG SER A 5 -15.011 -0.002 -0.016 1.00 0.00 H new ATOM 48 N SER A 6 -15.696 -4.441 -0.539 1.00 0.00 N ATOM 49 CA SER A 6 -14.981 -5.696 -0.699 1.00 0.00 C ATOM 50 C SER A 6 -13.628 -5.446 -1.368 1.00 0.00 C ATOM 51 O SER A 6 -13.551 -4.744 -2.376 1.00 0.00 O ATOM 52 CB SER A 6 -15.800 -6.697 -1.515 1.00 0.00 C ATOM 53 OG SER A 6 -16.183 -6.167 -2.781 1.00 0.00 O ATOM 0 H SER A 6 -15.873 -3.938 -1.408 1.00 0.00 H new ATOM 0 HA SER A 6 -14.816 -6.124 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.217 -7.606 -1.664 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.692 -6.978 -0.955 1.00 0.00 H new ATOM 0 HG SER A 6 -16.703 -6.837 -3.272 1.00 0.00 H new ATOM 59 N GLY A 7 -12.596 -6.033 -0.781 1.00 0.00 N ATOM 60 CA GLY A 7 -11.250 -5.882 -1.308 1.00 0.00 C ATOM 61 C GLY A 7 -10.558 -4.658 -0.704 1.00 0.00 C ATOM 62 O GLY A 7 -11.190 -3.624 -0.494 1.00 0.00 O ATOM 0 H GLY A 7 -12.664 -6.614 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.668 -6.777 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.289 -5.783 -2.393 1.00 0.00 H new ATOM 66 N MET A 8 -9.269 -4.817 -0.441 1.00 0.00 N ATOM 67 CA MET A 8 -8.484 -3.738 0.134 1.00 0.00 C ATOM 68 C MET A 8 -7.708 -2.986 -0.949 1.00 0.00 C ATOM 69 O MET A 8 -6.917 -3.582 -1.678 1.00 0.00 O ATOM 70 CB MET A 8 -7.505 -4.311 1.161 1.00 0.00 C ATOM 71 CG MET A 8 -8.250 -4.931 2.344 1.00 0.00 C ATOM 72 SD MET A 8 -7.358 -6.353 2.950 1.00 0.00 S ATOM 73 CE MET A 8 -7.577 -7.467 1.573 1.00 0.00 C ATOM 0 H MET A 8 -8.749 -5.677 -0.616 1.00 0.00 H new ATOM 0 HA MET A 8 -9.164 -3.037 0.619 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.876 -5.065 0.688 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.843 -3.522 1.517 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.361 -4.195 3.140 1.00 0.00 H new ATOM 0 HG3 MET A 8 -9.254 -5.225 2.038 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.724 -8.481 1.945 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.449 -7.163 0.994 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.692 -7.439 0.938 1.00 0.00 H new ATOM 83 N VAL A 9 -7.962 -1.687 -1.019 1.00 0.00 N ATOM 84 CA VAL A 9 -7.297 -0.848 -2.001 1.00 0.00 C ATOM 85 C VAL A 9 -5.974 -0.343 -1.422 1.00 0.00 C ATOM 86 O VAL A 9 -5.965 0.423 -0.459 1.00 0.00 O ATOM 87 CB VAL A 9 -8.228 0.285 -2.438 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.430 1.476 -2.971 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.239 -0.207 -3.476 1.00 0.00 C ATOM 0 H VAL A 9 -8.618 -1.196 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.062 -1.423 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.783 0.620 -1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.116 2.267 -3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.768 1.850 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.836 1.161 -3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.889 0.617 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.709 -0.581 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.841 -1.008 -3.047 1.00 0.00 H new ATOM 99 N ILE A 10 -4.887 -0.793 -2.032 1.00 0.00 N ATOM 100 CA ILE A 10 -3.561 -0.396 -1.589 1.00 0.00 C ATOM 101 C ILE A 10 -3.274 1.029 -2.066 1.00 0.00 C ATOM 102 O ILE A 10 -2.581 1.225 -3.063 1.00 0.00 O ATOM 103 CB ILE A 10 -2.517 -1.419 -2.041 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.799 -2.795 -1.434 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.101 -0.933 -1.727 1.00 0.00 C ATOM 106 CD1 ILE A 10 -2.959 -2.702 0.084 1.00 0.00 C ATOM 0 H ILE A 10 -4.898 -1.429 -2.830 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.510 -0.384 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.588 -1.524 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.705 -3.212 -1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.984 -3.477 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.378 -1.679 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.916 0.008 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.998 -0.781 -0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.159 -3.694 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.042 -2.308 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.790 -2.038 0.322 1.00 0.00 H new ATOM 118 N ARG A 11 -3.820 1.986 -1.331 1.00 0.00 N ATOM 119 CA ARG A 11 -3.631 3.387 -1.667 1.00 0.00 C ATOM 120 C ARG A 11 -2.142 3.738 -1.659 1.00 0.00 C ATOM 121 O ARG A 11 -1.575 4.028 -0.606 1.00 0.00 O ATOM 122 CB ARG A 11 -4.368 4.295 -0.680 1.00 0.00 C ATOM 123 CG ARG A 11 -5.880 4.072 -0.753 1.00 0.00 C ATOM 124 CD ARG A 11 -6.614 4.952 0.260 1.00 0.00 C ATOM 125 NE ARG A 11 -8.026 4.524 0.373 1.00 0.00 N ATOM 126 CZ ARG A 11 -8.892 5.021 1.267 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.496 5.966 2.130 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.155 4.573 1.297 1.00 0.00 N ATOM 0 H ARG A 11 -4.393 1.819 -0.504 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.040 3.547 -2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.016 4.098 0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.140 5.338 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.236 4.295 -1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.106 3.023 -0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.126 4.885 1.233 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.566 5.996 -0.050 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.361 3.806 -0.269 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.535 6.308 2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.155 6.344 2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.457 3.854 0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.814 4.951 1.977 1.00 0.00 H new ATOM 142 N VAL A 12 -1.551 3.701 -2.844 1.00 0.00 N ATOM 143 CA VAL A 12 -0.139 4.012 -2.986 1.00 0.00 C ATOM 144 C VAL A 12 0.023 5.504 -3.280 1.00 0.00 C ATOM 145 O VAL A 12 -0.438 5.991 -4.311 1.00 0.00 O ATOM 146 CB VAL A 12 0.488 3.120 -4.060 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.956 3.484 -4.287 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.340 1.640 -3.698 1.00 0.00 C ATOM 0 H VAL A 12 -2.024 3.460 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 12 0.393 3.804 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.048 3.293 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.377 2.835 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.028 4.522 -4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.511 3.354 -3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.794 1.028 -4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.838 1.446 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.718 1.391 -3.610 1.00 0.00 H new ATOM 158 N PHE A 13 0.680 6.189 -2.356 1.00 0.00 N ATOM 159 CA PHE A 13 0.909 7.616 -2.503 1.00 0.00 C ATOM 160 C PHE A 13 2.122 7.888 -3.395 1.00 0.00 C ATOM 161 O PHE A 13 3.185 7.302 -3.200 1.00 0.00 O ATOM 162 CB PHE A 13 1.186 8.172 -1.104 1.00 0.00 C ATOM 163 CG PHE A 13 -0.075 8.436 -0.279 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.161 7.629 -0.419 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.111 9.477 0.595 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.331 7.874 0.347 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.281 9.722 1.361 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.367 8.915 1.221 1.00 0.00 C ATOM 0 H PHE A 13 1.061 5.782 -1.502 1.00 0.00 H new ATOM 0 HA PHE A 13 0.040 8.086 -2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.821 7.469 -0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.748 9.101 -1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.133 6.802 -1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.751 10.118 0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.193 7.233 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.309 10.549 2.055 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.257 9.101 1.804 1.00 0.00 H new ATOM 178 N ILE A 14 1.921 8.778 -4.356 1.00 0.00 N ATOM 179 CA ILE A 14 2.985 9.135 -5.280 1.00 0.00 C ATOM 180 C ILE A 14 2.959 10.645 -5.521 1.00 0.00 C ATOM 181 O ILE A 14 1.899 11.267 -5.474 1.00 0.00 O ATOM 182 CB ILE A 14 2.882 8.305 -6.561 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.592 8.625 -7.320 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.015 6.811 -6.260 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.898 9.246 -8.684 1.00 0.00 C ATOM 0 H ILE A 14 1.038 9.262 -4.515 1.00 0.00 H new ATOM 0 HA ILE A 14 3.959 8.897 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 14 3.714 8.577 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.009 7.714 -7.454 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.981 9.311 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.938 6.245 -7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.982 6.618 -5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.219 6.504 -5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.964 9.464 -9.202 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.460 10.170 -8.545 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.488 8.548 -9.277 1.00 0.00 H new ATOM 197 N ALA A 15 4.139 11.192 -5.775 1.00 0.00 N ATOM 198 CA ALA A 15 4.266 12.618 -6.024 1.00 0.00 C ATOM 199 C ALA A 15 4.766 12.839 -7.453 1.00 0.00 C ATOM 200 O ALA A 15 5.971 12.913 -7.688 1.00 0.00 O ATOM 201 CB ALA A 15 5.195 13.238 -4.978 1.00 0.00 C ATOM 0 H ALA A 15 5.016 10.673 -5.814 1.00 0.00 H new ATOM 0 HA ALA A 15 3.298 13.112 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.290 14.308 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.780 13.079 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.177 12.770 -5.041 1.00 0.00 H new ATOM 207 N SER A 16 3.815 12.940 -8.370 1.00 0.00 N ATOM 208 CA SER A 16 4.144 13.151 -9.769 1.00 0.00 C ATOM 209 C SER A 16 5.303 14.142 -9.890 1.00 0.00 C ATOM 210 O SER A 16 6.082 14.079 -10.840 1.00 0.00 O ATOM 211 CB SER A 16 2.929 13.657 -10.550 1.00 0.00 C ATOM 212 OG SER A 16 3.308 14.362 -11.729 1.00 0.00 O ATOM 0 H SER A 16 2.816 12.880 -8.171 1.00 0.00 H new ATOM 0 HA SER A 16 4.445 12.195 -10.198 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.295 12.813 -10.821 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.334 14.311 -9.912 1.00 0.00 H new ATOM 0 HG SER A 16 2.505 14.667 -12.200 1.00 0.00 H new ATOM 218 N SER A 17 5.380 15.035 -8.914 1.00 0.00 N ATOM 219 CA SER A 17 6.431 16.039 -8.900 1.00 0.00 C ATOM 220 C SER A 17 7.495 15.667 -7.865 1.00 0.00 C ATOM 221 O SER A 17 7.579 16.287 -6.806 1.00 0.00 O ATOM 222 CB SER A 17 5.863 17.427 -8.601 1.00 0.00 C ATOM 223 OG SER A 17 4.802 17.772 -9.488 1.00 0.00 O ATOM 0 H SER A 17 4.732 15.084 -8.128 1.00 0.00 H new ATOM 0 HA SER A 17 6.889 16.069 -9.889 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.501 17.457 -7.573 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.658 18.169 -8.680 1.00 0.00 H new ATOM 0 HG SER A 17 4.465 18.664 -9.263 1.00 0.00 H new ATOM 229 N SER A 18 8.281 14.657 -8.208 1.00 0.00 N ATOM 230 CA SER A 18 9.336 14.195 -7.321 1.00 0.00 C ATOM 231 C SER A 18 10.685 14.250 -8.041 1.00 0.00 C ATOM 232 O SER A 18 11.102 13.272 -8.660 1.00 0.00 O ATOM 233 CB SER A 18 9.056 12.775 -6.825 1.00 0.00 C ATOM 234 OG SER A 18 9.186 11.810 -7.865 1.00 0.00 O ATOM 0 H SER A 18 8.209 14.146 -9.088 1.00 0.00 H new ATOM 0 HA SER A 18 9.367 14.854 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.745 12.531 -6.016 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.049 12.728 -6.411 1.00 0.00 H new ATOM 0 HG SER A 18 10.037 11.945 -8.332 1.00 0.00 H new ATOM 240 N GLY A 19 11.329 15.402 -7.936 1.00 0.00 N ATOM 241 CA GLY A 19 12.622 15.597 -8.569 1.00 0.00 C ATOM 242 C GLY A 19 13.506 14.359 -8.404 1.00 0.00 C ATOM 243 O GLY A 19 14.347 14.075 -9.254 1.00 0.00 O ATOM 0 H GLY A 19 10.980 16.211 -7.422 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.483 15.811 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.118 16.463 -8.131 1.00 0.00 H new ATOM 247 N PHE A 20 13.284 13.656 -7.303 1.00 0.00 N ATOM 248 CA PHE A 20 14.049 12.455 -7.015 1.00 0.00 C ATOM 249 C PHE A 20 13.548 11.273 -7.848 1.00 0.00 C ATOM 250 O PHE A 20 12.601 10.592 -7.459 1.00 0.00 O ATOM 251 CB PHE A 20 13.847 12.140 -5.532 1.00 0.00 C ATOM 252 CG PHE A 20 14.701 12.994 -4.592 1.00 0.00 C ATOM 253 CD1 PHE A 20 14.722 14.347 -4.733 1.00 0.00 C ATOM 254 CD2 PHE A 20 15.440 12.401 -3.617 1.00 0.00 C ATOM 255 CE1 PHE A 20 15.514 15.140 -3.861 1.00 0.00 C ATOM 256 CE2 PHE A 20 16.232 13.194 -2.745 1.00 0.00 C ATOM 257 CZ PHE A 20 16.253 14.546 -2.886 1.00 0.00 C ATOM 0 H PHE A 20 12.585 13.895 -6.600 1.00 0.00 H new ATOM 0 HA PHE A 20 15.099 12.617 -7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.796 12.282 -5.281 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.077 11.088 -5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.136 14.818 -5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 20 15.425 11.327 -3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.529 16.214 -3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.818 12.723 -1.970 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.857 15.149 -2.224 1.00 0.00 H new ATOM 267 N VAL A 21 14.207 11.065 -8.978 1.00 0.00 N ATOM 268 CA VAL A 21 13.841 9.977 -9.869 1.00 0.00 C ATOM 269 C VAL A 21 13.791 8.669 -9.076 1.00 0.00 C ATOM 270 O VAL A 21 12.861 7.880 -9.232 1.00 0.00 O ATOM 271 CB VAL A 21 14.808 9.922 -11.053 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.236 9.637 -10.582 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.354 8.888 -12.085 1.00 0.00 C ATOM 0 H VAL A 21 14.993 11.632 -9.297 1.00 0.00 H new ATOM 0 HA VAL A 21 12.848 10.143 -10.286 1.00 0.00 H new ATOM 0 HB VAL A 21 14.803 10.900 -11.535 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.903 9.603 -11.443 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.560 10.426 -9.903 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.264 8.679 -10.064 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.059 8.870 -12.916 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.315 7.903 -11.620 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.364 9.154 -12.455 1.00 0.00 H new ATOM 283 N ALA A 22 14.804 8.481 -8.244 1.00 0.00 N ATOM 284 CA ALA A 22 14.888 7.282 -7.426 1.00 0.00 C ATOM 285 C ALA A 22 13.519 6.997 -6.806 1.00 0.00 C ATOM 286 O ALA A 22 13.047 5.861 -6.831 1.00 0.00 O ATOM 287 CB ALA A 22 15.981 7.459 -6.370 1.00 0.00 C ATOM 0 H ALA A 22 15.574 9.138 -8.118 1.00 0.00 H new ATOM 0 HA ALA A 22 15.161 6.420 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 22 16.044 6.560 -5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.938 7.630 -6.862 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.741 8.313 -5.737 1.00 0.00 H new ATOM 293 N ILE A 23 12.919 8.047 -6.264 1.00 0.00 N ATOM 294 CA ILE A 23 11.614 7.923 -5.639 1.00 0.00 C ATOM 295 C ILE A 23 10.619 7.353 -6.652 1.00 0.00 C ATOM 296 O ILE A 23 9.927 6.377 -6.367 1.00 0.00 O ATOM 297 CB ILE A 23 11.179 9.261 -5.036 1.00 0.00 C ATOM 298 CG1 ILE A 23 12.090 9.659 -3.873 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.706 9.224 -4.625 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.665 11.005 -3.281 1.00 0.00 C ATOM 0 H ILE A 23 13.313 8.988 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 23 11.657 7.222 -4.805 1.00 0.00 H new ATOM 0 HB ILE A 23 11.279 10.030 -5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.057 8.891 -3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.122 9.719 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.423 10.187 -4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.089 9.018 -5.500 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.555 8.441 -3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.328 11.265 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.723 11.775 -4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.641 10.934 -2.915 1.00 0.00 H new ATOM 312 N LYS A 24 10.579 7.987 -7.815 1.00 0.00 N ATOM 313 CA LYS A 24 9.681 7.556 -8.873 1.00 0.00 C ATOM 314 C LYS A 24 9.878 6.060 -9.124 1.00 0.00 C ATOM 315 O LYS A 24 8.930 5.281 -9.036 1.00 0.00 O ATOM 316 CB LYS A 24 9.870 8.419 -10.121 1.00 0.00 C ATOM 317 CG LYS A 24 8.786 9.495 -10.212 1.00 0.00 C ATOM 318 CD LYS A 24 9.025 10.414 -11.412 1.00 0.00 C ATOM 319 CE LYS A 24 8.833 9.658 -12.728 1.00 0.00 C ATOM 320 NZ LYS A 24 7.406 9.326 -12.933 1.00 0.00 N ATOM 0 H LYS A 24 11.154 8.796 -8.048 1.00 0.00 H new ATOM 0 HA LYS A 24 8.643 7.696 -8.572 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.853 8.889 -10.097 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.839 7.790 -11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.807 9.024 -10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.775 10.084 -9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.338 11.259 -11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.035 10.822 -11.367 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.194 10.265 -13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.427 8.744 -12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.256 9.032 -13.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.135 8.550 -12.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.822 10.162 -12.729 1.00 0.00 H new ATOM 334 N LYS A 25 11.116 5.702 -9.433 1.00 0.00 N ATOM 335 CA LYS A 25 11.450 4.313 -9.698 1.00 0.00 C ATOM 336 C LYS A 25 10.708 3.416 -8.705 1.00 0.00 C ATOM 337 O LYS A 25 10.063 2.447 -9.100 1.00 0.00 O ATOM 338 CB LYS A 25 12.967 4.115 -9.691 1.00 0.00 C ATOM 339 CG LYS A 25 13.587 4.576 -11.012 1.00 0.00 C ATOM 340 CD LYS A 25 14.317 3.424 -11.705 1.00 0.00 C ATOM 341 CE LYS A 25 15.727 3.844 -12.127 1.00 0.00 C ATOM 342 NZ LYS A 25 16.731 2.893 -11.599 1.00 0.00 N ATOM 0 H LYS A 25 11.900 6.350 -9.506 1.00 0.00 H new ATOM 0 HA LYS A 25 11.119 4.026 -10.696 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.406 4.674 -8.865 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.199 3.063 -9.524 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.808 4.965 -11.668 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.284 5.393 -10.826 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.374 2.568 -11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.751 3.104 -12.580 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.791 3.883 -13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.939 4.848 -11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.682 3.193 -11.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.680 2.876 -10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.537 1.941 -11.971 1.00 0.00 H new ATOM 356 N LYS A 26 10.825 3.772 -7.434 1.00 0.00 N ATOM 357 CA LYS A 26 10.173 3.012 -6.381 1.00 0.00 C ATOM 358 C LYS A 26 8.667 2.966 -6.648 1.00 0.00 C ATOM 359 O LYS A 26 8.076 1.889 -6.705 1.00 0.00 O ATOM 360 CB LYS A 26 10.537 3.578 -5.007 1.00 0.00 C ATOM 361 CG LYS A 26 12.030 3.405 -4.721 1.00 0.00 C ATOM 362 CD LYS A 26 12.532 4.482 -3.757 1.00 0.00 C ATOM 363 CE LYS A 26 13.968 4.195 -3.314 1.00 0.00 C ATOM 364 NZ LYS A 26 14.661 5.452 -2.955 1.00 0.00 N ATOM 0 H LYS A 26 11.362 4.577 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 26 10.528 1.982 -6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.275 4.635 -4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.955 3.074 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.210 2.418 -4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.591 3.457 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.485 5.458 -4.240 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.880 4.526 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.963 3.519 -2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.508 3.691 -4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.634 5.239 -2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.682 6.084 -3.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.154 5.917 -2.175 1.00 0.00 H new ATOM 378 N GLN A 27 8.090 4.148 -6.804 1.00 0.00 N ATOM 379 CA GLN A 27 6.665 4.257 -7.063 1.00 0.00 C ATOM 380 C GLN A 27 6.235 3.225 -8.108 1.00 0.00 C ATOM 381 O GLN A 27 5.163 2.632 -7.996 1.00 0.00 O ATOM 382 CB GLN A 27 6.295 5.673 -7.508 1.00 0.00 C ATOM 383 CG GLN A 27 6.443 6.666 -6.353 1.00 0.00 C ATOM 384 CD GLN A 27 6.864 8.045 -6.867 1.00 0.00 C ATOM 385 OE1 GLN A 27 7.738 8.699 -6.322 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.194 8.449 -7.943 1.00 0.00 N ATOM 0 H GLN A 27 8.584 5.039 -6.756 1.00 0.00 H new ATOM 0 HA GLN A 27 6.131 4.051 -6.135 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.934 5.976 -8.337 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.269 5.686 -7.875 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.499 6.747 -5.815 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.183 6.297 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.474 7.852 -8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.400 9.356 -8.362 1.00 0.00 H new ATOM 395 N GLN A 28 7.094 3.041 -9.100 1.00 0.00 N ATOM 396 CA GLN A 28 6.817 2.091 -10.164 1.00 0.00 C ATOM 397 C GLN A 28 6.864 0.661 -9.623 1.00 0.00 C ATOM 398 O GLN A 28 5.849 -0.034 -9.605 1.00 0.00 O ATOM 399 CB GLN A 28 7.794 2.270 -11.327 1.00 0.00 C ATOM 400 CG GLN A 28 7.736 3.697 -11.878 1.00 0.00 C ATOM 401 CD GLN A 28 9.141 4.236 -12.154 1.00 0.00 C ATOM 402 OE1 GLN A 28 10.014 3.541 -12.648 1.00 0.00 O ATOM 403 NE2 GLN A 28 9.310 5.509 -11.808 1.00 0.00 N ATOM 0 H GLN A 28 7.983 3.534 -9.189 1.00 0.00 H new ATOM 0 HA GLN A 28 5.813 2.282 -10.544 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.807 2.046 -10.993 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.556 1.560 -12.119 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.150 3.712 -12.797 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.227 4.346 -11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.537 6.033 -11.399 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.213 5.961 -11.952 1.00 0.00 H new ATOM 412 N ASP A 29 8.054 0.262 -9.197 1.00 0.00 N ATOM 413 CA ASP A 29 8.247 -1.073 -8.657 1.00 0.00 C ATOM 414 C ASP A 29 7.009 -1.477 -7.854 1.00 0.00 C ATOM 415 O ASP A 29 6.618 -2.644 -7.855 1.00 0.00 O ATOM 416 CB ASP A 29 9.455 -1.119 -7.720 1.00 0.00 C ATOM 417 CG ASP A 29 10.526 -2.144 -8.095 1.00 0.00 C ATOM 418 OD1 ASP A 29 10.163 -3.115 -8.794 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.685 -1.935 -7.674 1.00 0.00 O ATOM 0 H ASP A 29 8.894 0.840 -9.215 1.00 0.00 H new ATOM 0 HA ASP A 29 8.413 -1.754 -9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.913 -0.130 -7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.105 -1.335 -6.711 1.00 0.00 H new ATOM 424 N VAL A 30 6.428 -0.491 -7.187 1.00 0.00 N ATOM 425 CA VAL A 30 5.242 -0.730 -6.381 1.00 0.00 C ATOM 426 C VAL A 30 4.095 -1.176 -7.289 1.00 0.00 C ATOM 427 O VAL A 30 3.899 -2.371 -7.507 1.00 0.00 O ATOM 428 CB VAL A 30 4.907 0.518 -5.562 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.579 0.347 -4.821 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.038 0.856 -4.589 1.00 0.00 C ATOM 0 H VAL A 30 6.756 0.475 -7.188 1.00 0.00 H new ATOM 0 HA VAL A 30 5.421 -1.533 -5.666 1.00 0.00 H new ATOM 0 HB VAL A 30 4.800 1.354 -6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.364 1.248 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.779 0.177 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.646 -0.506 -4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.774 1.747 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.192 0.021 -3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.955 1.041 -5.148 1.00 0.00 H new ATOM 440 N VAL A 31 3.366 -0.191 -7.795 1.00 0.00 N ATOM 441 CA VAL A 31 2.243 -0.467 -8.674 1.00 0.00 C ATOM 442 C VAL A 31 2.614 -1.606 -9.627 1.00 0.00 C ATOM 443 O VAL A 31 1.899 -2.603 -9.717 1.00 0.00 O ATOM 444 CB VAL A 31 1.824 0.810 -9.405 1.00 0.00 C ATOM 445 CG1 VAL A 31 3.006 1.771 -9.551 1.00 0.00 C ATOM 446 CG2 VAL A 31 1.208 0.486 -10.767 1.00 0.00 C ATOM 0 H VAL A 31 3.532 0.799 -7.613 1.00 0.00 H new ATOM 0 HA VAL A 31 1.378 -0.794 -8.097 1.00 0.00 H new ATOM 0 HB VAL A 31 1.062 1.306 -8.803 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.681 2.670 -10.074 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.380 2.041 -8.563 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.800 1.287 -10.120 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.919 1.411 -11.265 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.938 -0.043 -11.380 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.328 -0.141 -10.628 1.00 0.00 H new ATOM 456 N ARG A 32 3.732 -1.419 -10.314 1.00 0.00 N ATOM 457 CA ARG A 32 4.207 -2.418 -11.256 1.00 0.00 C ATOM 458 C ARG A 32 3.937 -3.825 -10.718 1.00 0.00 C ATOM 459 O ARG A 32 3.242 -4.615 -11.356 1.00 0.00 O ATOM 460 CB ARG A 32 5.705 -2.258 -11.519 1.00 0.00 C ATOM 461 CG ARG A 32 5.992 -0.969 -12.290 1.00 0.00 C ATOM 462 CD ARG A 32 6.225 -1.257 -13.775 1.00 0.00 C ATOM 463 NE ARG A 32 6.519 0.002 -14.495 1.00 0.00 N ATOM 464 CZ ARG A 32 7.003 0.057 -15.743 1.00 0.00 C ATOM 465 NH1 ARG A 32 7.251 -1.074 -16.417 1.00 0.00 N ATOM 466 NH2 ARG A 32 7.240 1.244 -16.318 1.00 0.00 N ATOM 0 H ARG A 32 4.322 -0.591 -10.237 1.00 0.00 H new ATOM 0 HA ARG A 32 3.668 -2.274 -12.193 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.245 -2.247 -10.572 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.072 -3.114 -12.085 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.155 -0.280 -12.177 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.869 -0.477 -11.869 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.054 -1.955 -13.893 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.344 -1.734 -14.204 1.00 0.00 H new ATOM 0 HE ARG A 32 6.342 0.882 -14.011 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.071 -1.978 -15.980 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.619 -1.031 -17.367 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.052 2.106 -15.805 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.609 1.286 -17.268 1.00 0.00 H new ATOM 480 N PHE A 33 4.502 -4.096 -9.551 1.00 0.00 N ATOM 481 CA PHE A 33 4.332 -5.394 -8.920 1.00 0.00 C ATOM 482 C PHE A 33 2.849 -5.718 -8.723 1.00 0.00 C ATOM 483 O PHE A 33 2.404 -6.820 -9.038 1.00 0.00 O ATOM 484 CB PHE A 33 5.011 -5.319 -7.552 1.00 0.00 C ATOM 485 CG PHE A 33 5.120 -6.668 -6.836 1.00 0.00 C ATOM 486 CD1 PHE A 33 4.099 -7.105 -6.052 1.00 0.00 C ATOM 487 CD2 PHE A 33 6.237 -7.428 -6.985 1.00 0.00 C ATOM 488 CE1 PHE A 33 4.199 -8.356 -5.388 1.00 0.00 C ATOM 489 CE2 PHE A 33 6.338 -8.679 -6.321 1.00 0.00 C ATOM 490 CZ PHE A 33 5.317 -9.117 -5.536 1.00 0.00 C ATOM 0 H PHE A 33 5.078 -3.439 -9.025 1.00 0.00 H new ATOM 0 HA PHE A 33 4.766 -6.172 -9.548 1.00 0.00 H new ATOM 0 HB2 PHE A 33 6.011 -4.904 -7.676 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.455 -4.627 -6.919 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.212 -6.501 -5.934 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.048 -7.080 -7.608 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.388 -8.703 -4.766 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.226 -9.283 -6.439 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.394 -10.068 -5.031 1.00 0.00 H new ATOM 500 N LEU A 34 2.126 -4.736 -8.203 1.00 0.00 N ATOM 501 CA LEU A 34 0.703 -4.903 -7.961 1.00 0.00 C ATOM 502 C LEU A 34 0.000 -5.231 -9.279 1.00 0.00 C ATOM 503 O LEU A 34 -0.772 -6.186 -9.355 1.00 0.00 O ATOM 504 CB LEU A 34 0.134 -3.674 -7.250 1.00 0.00 C ATOM 505 CG LEU A 34 0.881 -3.219 -5.994 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.527 -1.773 -5.639 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.625 -4.175 -4.828 1.00 0.00 C ATOM 0 H LEU A 34 2.499 -3.823 -7.943 1.00 0.00 H new ATOM 0 HA LEU A 34 0.527 -5.743 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.116 -2.845 -7.958 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.900 -3.883 -6.978 1.00 0.00 H new ATOM 0 HG LEU A 34 1.950 -3.246 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.071 -1.475 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.802 -1.118 -6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.545 -1.695 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.167 -3.829 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.442 -4.204 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.967 -5.175 -5.095 1.00 0.00 H new ATOM 519 N GLU A 35 0.293 -4.422 -10.287 1.00 0.00 N ATOM 520 CA GLU A 35 -0.301 -4.614 -11.598 1.00 0.00 C ATOM 521 C GLU A 35 0.080 -5.987 -12.158 1.00 0.00 C ATOM 522 O GLU A 35 -0.783 -6.738 -12.609 1.00 0.00 O ATOM 523 CB GLU A 35 0.114 -3.497 -12.558 1.00 0.00 C ATOM 524 CG GLU A 35 -0.620 -2.194 -12.233 1.00 0.00 C ATOM 525 CD GLU A 35 -2.062 -2.235 -12.743 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.766 -3.202 -12.379 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.428 -1.299 -13.486 1.00 0.00 O ATOM 0 H GLU A 35 0.935 -3.632 -10.221 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.385 -4.574 -11.493 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.190 -3.338 -12.493 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.103 -3.795 -13.584 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.616 -2.029 -11.156 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.094 -1.353 -12.686 1.00 0.00 H new ATOM 534 N ALA A 36 1.373 -6.271 -12.110 1.00 0.00 N ATOM 535 CA ALA A 36 1.879 -7.540 -12.606 1.00 0.00 C ATOM 536 C ALA A 36 1.286 -8.680 -11.776 1.00 0.00 C ATOM 537 O ALA A 36 1.230 -9.821 -12.232 1.00 0.00 O ATOM 538 CB ALA A 36 3.408 -7.528 -12.572 1.00 0.00 C ATOM 0 H ALA A 36 2.086 -5.645 -11.735 1.00 0.00 H new ATOM 0 HA ALA A 36 1.577 -7.695 -13.642 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.788 -8.480 -12.944 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.780 -6.719 -13.200 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.748 -7.377 -11.547 1.00 0.00 H new ATOM 544 N ASN A 37 0.858 -8.332 -10.571 1.00 0.00 N ATOM 545 CA ASN A 37 0.271 -9.312 -9.673 1.00 0.00 C ATOM 546 C ASN A 37 -1.246 -9.117 -9.633 1.00 0.00 C ATOM 547 O ASN A 37 -1.919 -9.644 -8.749 1.00 0.00 O ATOM 548 CB ASN A 37 0.808 -9.145 -8.250 1.00 0.00 C ATOM 549 CG ASN A 37 2.158 -9.846 -8.087 1.00 0.00 C ATOM 550 OD1 ASN A 37 2.245 -11.006 -7.718 1.00 0.00 O ATOM 551 ND2 ASN A 37 3.204 -9.079 -8.383 1.00 0.00 N ATOM 0 H ASN A 37 0.906 -7.385 -10.196 1.00 0.00 H new ATOM 0 HA ASN A 37 0.529 -10.305 -10.042 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.915 -8.085 -8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.093 -9.555 -7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.149 -9.454 -8.307 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.061 -8.116 -8.686 1.00 0.00 H new ATOM 558 N LYS A 38 -1.738 -8.358 -10.600 1.00 0.00 N ATOM 559 CA LYS A 38 -3.163 -8.086 -10.686 1.00 0.00 C ATOM 560 C LYS A 38 -3.708 -7.794 -9.287 1.00 0.00 C ATOM 561 O LYS A 38 -4.711 -8.373 -8.873 1.00 0.00 O ATOM 562 CB LYS A 38 -3.885 -9.232 -11.400 1.00 0.00 C ATOM 563 CG LYS A 38 -3.752 -9.102 -12.918 1.00 0.00 C ATOM 564 CD LYS A 38 -4.559 -7.910 -13.439 1.00 0.00 C ATOM 565 CE LYS A 38 -5.308 -8.275 -14.722 1.00 0.00 C ATOM 566 NZ LYS A 38 -5.832 -7.057 -15.380 1.00 0.00 N ATOM 0 H LYS A 38 -1.176 -7.922 -11.331 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.345 -7.198 -11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.470 -10.186 -11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.939 -9.232 -11.122 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.702 -8.980 -13.186 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.099 -10.018 -13.397 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.269 -7.587 -12.678 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.892 -7.070 -13.630 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.640 -8.804 -15.402 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.130 -8.953 -14.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.338 -7.322 -16.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.485 -6.568 -14.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.042 -6.424 -15.619 1.00 0.00 H new ATOM 580 N ILE A 39 -3.022 -6.895 -8.596 1.00 0.00 N ATOM 581 CA ILE A 39 -3.424 -6.518 -7.251 1.00 0.00 C ATOM 582 C ILE A 39 -4.187 -5.193 -7.304 1.00 0.00 C ATOM 583 O ILE A 39 -3.889 -4.334 -8.133 1.00 0.00 O ATOM 584 CB ILE A 39 -2.213 -6.494 -6.317 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.483 -7.839 -6.330 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.621 -6.077 -4.902 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.210 -7.780 -5.484 1.00 0.00 C ATOM 0 H ILE A 39 -2.190 -6.417 -8.942 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.104 -7.261 -6.834 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.512 -5.744 -6.685 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.142 -8.618 -5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.230 -8.110 -7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.742 -6.068 -4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.061 -5.080 -4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.351 -6.785 -4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.290 -8.748 -5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.457 -7.017 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.469 -7.533 -4.454 1.00 0.00 H new ATOM 599 N GLU A 40 -5.156 -5.068 -6.409 1.00 0.00 N ATOM 600 CA GLU A 40 -5.963 -3.862 -6.343 1.00 0.00 C ATOM 601 C GLU A 40 -5.225 -2.771 -5.563 1.00 0.00 C ATOM 602 O GLU A 40 -4.648 -3.039 -4.510 1.00 0.00 O ATOM 603 CB GLU A 40 -7.331 -4.151 -5.722 1.00 0.00 C ATOM 604 CG GLU A 40 -7.254 -4.129 -4.194 1.00 0.00 C ATOM 605 CD GLU A 40 -8.233 -5.134 -3.582 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.418 -5.082 -3.974 1.00 0.00 O ATOM 607 OE2 GLU A 40 -7.773 -5.930 -2.735 1.00 0.00 O ATOM 0 H GLU A 40 -5.400 -5.783 -5.723 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.131 -3.504 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.054 -3.410 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.689 -5.124 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.239 -4.363 -3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.480 -3.127 -3.829 1.00 0.00 H new ATOM 614 N PHE A 41 -5.269 -1.565 -6.110 1.00 0.00 N ATOM 615 CA PHE A 41 -4.612 -0.433 -5.478 1.00 0.00 C ATOM 616 C PHE A 41 -4.939 0.869 -6.211 1.00 0.00 C ATOM 617 O PHE A 41 -5.659 0.861 -7.208 1.00 0.00 O ATOM 618 CB PHE A 41 -3.105 -0.687 -5.562 1.00 0.00 C ATOM 619 CG PHE A 41 -2.529 -0.553 -6.972 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.094 0.657 -7.417 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.451 -1.643 -7.782 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.559 0.781 -8.727 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.916 -1.518 -9.091 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.481 -0.309 -9.536 1.00 0.00 C ATOM 0 H PHE A 41 -5.749 -1.347 -6.983 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.951 -0.333 -4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.592 0.013 -4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.895 -1.689 -5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.155 1.523 -6.774 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.796 -2.604 -7.429 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.214 1.741 -9.081 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.854 -2.384 -9.734 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.074 -0.215 -10.532 1.00 0.00 H new ATOM 634 N GLU A 42 -4.394 1.958 -5.688 1.00 0.00 N ATOM 635 CA GLU A 42 -4.619 3.266 -6.281 1.00 0.00 C ATOM 636 C GLU A 42 -3.408 4.170 -6.045 1.00 0.00 C ATOM 637 O GLU A 42 -2.778 4.108 -4.990 1.00 0.00 O ATOM 638 CB GLU A 42 -5.896 3.904 -5.730 1.00 0.00 C ATOM 639 CG GLU A 42 -5.720 4.306 -4.264 1.00 0.00 C ATOM 640 CD GLU A 42 -6.773 5.335 -3.848 1.00 0.00 C ATOM 641 OE1 GLU A 42 -6.513 6.537 -4.076 1.00 0.00 O ATOM 642 OE2 GLU A 42 -7.814 4.898 -3.312 1.00 0.00 O ATOM 0 H GLU A 42 -3.797 1.962 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.749 3.140 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.153 4.782 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.726 3.203 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.798 3.423 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.723 4.720 -4.114 1.00 0.00 H new ATOM 649 N GLU A 43 -3.119 4.991 -7.045 1.00 0.00 N ATOM 650 CA GLU A 43 -1.994 5.907 -6.959 1.00 0.00 C ATOM 651 C GLU A 43 -2.454 7.262 -6.416 1.00 0.00 C ATOM 652 O GLU A 43 -2.849 8.140 -7.181 1.00 0.00 O ATOM 653 CB GLU A 43 -1.311 6.065 -8.319 1.00 0.00 C ATOM 654 CG GLU A 43 -0.458 4.839 -8.649 1.00 0.00 C ATOM 655 CD GLU A 43 -1.063 4.045 -9.809 1.00 0.00 C ATOM 656 OE1 GLU A 43 -2.254 3.685 -9.689 1.00 0.00 O ATOM 657 OE2 GLU A 43 -0.321 3.816 -10.788 1.00 0.00 O ATOM 0 H GLU A 43 -3.644 5.041 -7.918 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.262 5.490 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.064 6.208 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.685 6.957 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.553 5.154 -8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.378 4.200 -7.769 1.00 0.00 H new ATOM 664 N VAL A 44 -2.386 7.389 -5.099 1.00 0.00 N ATOM 665 CA VAL A 44 -2.790 8.621 -4.444 1.00 0.00 C ATOM 666 C VAL A 44 -1.761 9.713 -4.744 1.00 0.00 C ATOM 667 O VAL A 44 -0.835 9.930 -3.964 1.00 0.00 O ATOM 668 CB VAL A 44 -2.986 8.379 -2.946 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.192 9.698 -2.200 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.149 7.418 -2.694 1.00 0.00 C ATOM 0 H VAL A 44 -2.057 6.659 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.750 8.962 -4.832 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.079 7.915 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.329 9.497 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.319 10.335 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.076 10.203 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.267 7.263 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.066 7.842 -3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.944 6.463 -3.178 1.00 0.00 H new ATOM 680 N ASP A 45 -1.959 10.373 -5.876 1.00 0.00 N ATOM 681 CA ASP A 45 -1.060 11.438 -6.288 1.00 0.00 C ATOM 682 C ASP A 45 -1.029 12.521 -5.207 1.00 0.00 C ATOM 683 O ASP A 45 -1.900 13.389 -5.169 1.00 0.00 O ATOM 684 CB ASP A 45 -1.532 12.084 -7.592 1.00 0.00 C ATOM 685 CG ASP A 45 -0.504 12.988 -8.275 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.376 13.497 -7.548 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.622 13.149 -9.509 1.00 0.00 O ATOM 0 H ASP A 45 -2.728 10.191 -6.520 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.071 11.005 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.819 11.295 -8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.428 12.669 -7.386 1.00 0.00 H new ATOM 692 N ILE A 46 -0.017 12.434 -4.356 1.00 0.00 N ATOM 693 CA ILE A 46 0.139 13.396 -3.278 1.00 0.00 C ATOM 694 C ILE A 46 0.511 14.758 -3.866 1.00 0.00 C ATOM 695 O ILE A 46 0.109 15.796 -3.341 1.00 0.00 O ATOM 696 CB ILE A 46 1.137 12.880 -2.240 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.557 12.859 -2.808 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.713 11.510 -1.705 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.581 12.549 -1.714 1.00 0.00 C ATOM 0 H ILE A 46 0.703 11.712 -4.391 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.802 13.526 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 46 1.138 13.569 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.626 12.111 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.785 13.823 -3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.440 11.166 -0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.268 11.590 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.665 10.797 -2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.582 12.540 -2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.527 13.312 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.365 11.573 -1.279 1.00 0.00 H new ATOM 711 N THR A 47 1.276 14.712 -4.947 1.00 0.00 N ATOM 712 CA THR A 47 1.708 15.930 -5.611 1.00 0.00 C ATOM 713 C THR A 47 0.497 16.738 -6.081 1.00 0.00 C ATOM 714 O THR A 47 0.399 17.933 -5.805 1.00 0.00 O ATOM 715 CB THR A 47 2.655 15.538 -6.747 1.00 0.00 C ATOM 716 OG1 THR A 47 3.955 15.697 -6.186 1.00 0.00 O ATOM 717 CG2 THR A 47 2.625 16.538 -7.906 1.00 0.00 C ATOM 0 H THR A 47 1.608 13.850 -5.380 1.00 0.00 H new ATOM 0 HA THR A 47 2.250 16.583 -4.927 1.00 0.00 H new ATOM 0 HB THR A 47 2.389 14.547 -7.115 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.129 16.648 -6.027 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.315 16.213 -8.685 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.616 16.592 -8.314 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.923 17.522 -7.545 1.00 0.00 H new ATOM 725 N MET A 48 -0.395 16.055 -6.784 1.00 0.00 N ATOM 726 CA MET A 48 -1.595 16.695 -7.295 1.00 0.00 C ATOM 727 C MET A 48 -2.470 17.212 -6.151 1.00 0.00 C ATOM 728 O MET A 48 -2.826 18.389 -6.121 1.00 0.00 O ATOM 729 CB MET A 48 -2.391 15.692 -8.133 1.00 0.00 C ATOM 730 CG MET A 48 -1.853 15.624 -9.564 1.00 0.00 C ATOM 731 SD MET A 48 -2.077 17.198 -10.376 1.00 0.00 S ATOM 732 CE MET A 48 -0.473 17.385 -11.137 1.00 0.00 C ATOM 0 H MET A 48 -0.310 15.064 -7.012 1.00 0.00 H new ATOM 0 HA MET A 48 -1.298 17.543 -7.912 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.337 14.705 -7.673 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.442 15.980 -8.149 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.796 15.359 -9.552 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.371 14.842 -10.119 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.440 18.324 -11.689 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.297 17.390 -10.366 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.296 16.555 -11.821 1.00 0.00 H new ATOM 742 N SER A 49 -2.791 16.307 -5.238 1.00 0.00 N ATOM 743 CA SER A 49 -3.617 16.658 -4.095 1.00 0.00 C ATOM 744 C SER A 49 -2.737 16.896 -2.867 1.00 0.00 C ATOM 745 O SER A 49 -2.089 15.974 -2.375 1.00 0.00 O ATOM 746 CB SER A 49 -4.649 15.566 -3.806 1.00 0.00 C ATOM 747 OG SER A 49 -5.555 15.386 -4.891 1.00 0.00 O ATOM 0 H SER A 49 -2.494 15.332 -5.266 1.00 0.00 H new ATOM 0 HA SER A 49 -4.156 17.576 -4.331 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.135 14.626 -3.603 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.208 15.824 -2.906 1.00 0.00 H new ATOM 0 HG SER A 49 -6.196 14.679 -4.668 1.00 0.00 H new ATOM 753 N GLU A 50 -2.742 18.139 -2.407 1.00 0.00 N ATOM 754 CA GLU A 50 -1.953 18.510 -1.245 1.00 0.00 C ATOM 755 C GLU A 50 -2.402 17.711 -0.020 1.00 0.00 C ATOM 756 O GLU A 50 -1.602 17.006 0.594 1.00 0.00 O ATOM 757 CB GLU A 50 -2.040 20.014 -0.980 1.00 0.00 C ATOM 758 CG GLU A 50 -1.077 20.432 0.133 1.00 0.00 C ATOM 759 CD GLU A 50 -0.199 21.603 -0.312 1.00 0.00 C ATOM 760 OE1 GLU A 50 -0.785 22.629 -0.720 1.00 0.00 O ATOM 761 OE2 GLU A 50 1.039 21.445 -0.235 1.00 0.00 O ATOM 0 H GLU A 50 -3.280 18.902 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.909 18.270 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.806 20.562 -1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.060 20.279 -0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.643 20.714 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.448 19.586 0.411 1.00 0.00 H new ATOM 768 N GLU A 51 -3.681 17.847 0.299 1.00 0.00 N ATOM 769 CA GLU A 51 -4.247 17.146 1.439 1.00 0.00 C ATOM 770 C GLU A 51 -3.663 15.736 1.539 1.00 0.00 C ATOM 771 O GLU A 51 -3.040 15.387 2.540 1.00 0.00 O ATOM 772 CB GLU A 51 -5.774 17.103 1.353 1.00 0.00 C ATOM 773 CG GLU A 51 -6.398 16.996 2.746 1.00 0.00 C ATOM 774 CD GLU A 51 -6.438 15.542 3.220 1.00 0.00 C ATOM 775 OE1 GLU A 51 -5.356 15.036 3.590 1.00 0.00 O ATOM 776 OE2 GLU A 51 -7.548 14.969 3.202 1.00 0.00 O ATOM 0 H GLU A 51 -4.341 18.432 -0.212 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.982 17.692 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.139 18.001 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.084 16.253 0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.825 17.597 3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.409 17.404 2.728 1.00 0.00 H new ATOM 783 N GLN A 52 -3.885 14.962 0.486 1.00 0.00 N ATOM 784 CA GLN A 52 -3.388 13.597 0.443 1.00 0.00 C ATOM 785 C GLN A 52 -1.998 13.518 1.077 1.00 0.00 C ATOM 786 O GLN A 52 -1.767 12.708 1.974 1.00 0.00 O ATOM 787 CB GLN A 52 -3.367 13.067 -0.992 1.00 0.00 C ATOM 788 CG GLN A 52 -4.784 12.975 -1.564 1.00 0.00 C ATOM 789 CD GLN A 52 -5.528 11.766 -0.994 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.167 11.208 0.029 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.583 11.392 -1.713 1.00 0.00 N ATOM 0 H GLN A 52 -4.402 15.254 -0.343 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.065 12.966 1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.761 13.723 -1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.898 12.083 -1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.334 13.887 -1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.737 12.899 -2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.830 11.904 -2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.145 10.594 -1.417 1.00 0.00 H new ATOM 800 N ARG A 53 -1.109 14.369 0.586 1.00 0.00 N ATOM 801 CA ARG A 53 0.252 14.405 1.094 1.00 0.00 C ATOM 802 C ARG A 53 0.251 14.701 2.595 1.00 0.00 C ATOM 803 O ARG A 53 0.853 13.967 3.377 1.00 0.00 O ATOM 804 CB ARG A 53 1.081 15.468 0.371 1.00 0.00 C ATOM 805 CG ARG A 53 2.576 15.267 0.629 1.00 0.00 C ATOM 806 CD ARG A 53 3.417 16.066 -0.368 1.00 0.00 C ATOM 807 NE ARG A 53 4.182 17.116 0.342 1.00 0.00 N ATOM 808 CZ ARG A 53 4.675 18.214 -0.247 1.00 0.00 C ATOM 809 NH1 ARG A 53 4.487 18.413 -1.559 1.00 0.00 N ATOM 810 NH2 ARG A 53 5.357 19.112 0.476 1.00 0.00 N ATOM 0 H ARG A 53 -1.305 15.039 -0.158 1.00 0.00 H new ATOM 0 HA ARG A 53 0.699 13.427 0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.884 15.422 -0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.780 16.460 0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.818 15.578 1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.823 14.208 0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.100 15.400 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.771 16.520 -1.119 1.00 0.00 H new ATOM 0 HE ARG A 53 4.344 16.996 1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.968 17.729 -2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.862 19.249 -2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.501 18.960 1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.733 19.948 0.028 1.00 0.00 H new ATOM 824 N GLN A 54 -0.432 15.779 2.952 1.00 0.00 N ATOM 825 CA GLN A 54 -0.519 16.181 4.346 1.00 0.00 C ATOM 826 C GLN A 54 -0.935 14.993 5.216 1.00 0.00 C ATOM 827 O GLN A 54 -0.366 14.773 6.284 1.00 0.00 O ATOM 828 CB GLN A 54 -1.488 17.353 4.518 1.00 0.00 C ATOM 829 CG GLN A 54 -0.856 18.661 4.039 1.00 0.00 C ATOM 830 CD GLN A 54 0.484 18.910 4.733 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.558 19.173 5.922 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.537 18.812 3.926 1.00 0.00 N ATOM 0 H GLN A 54 -0.930 16.386 2.301 1.00 0.00 H new ATOM 0 HA GLN A 54 0.466 16.516 4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.402 17.159 3.956 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.771 17.444 5.567 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.709 18.624 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.533 19.491 4.240 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.405 18.589 2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.477 18.960 4.294 1.00 0.00 H new ATOM 841 N TRP A 55 -1.924 14.260 4.727 1.00 0.00 N ATOM 842 CA TRP A 55 -2.423 13.100 5.447 1.00 0.00 C ATOM 843 C TRP A 55 -1.237 12.179 5.739 1.00 0.00 C ATOM 844 O TRP A 55 -0.938 11.893 6.897 1.00 0.00 O ATOM 845 CB TRP A 55 -3.540 12.408 4.665 1.00 0.00 C ATOM 846 CG TRP A 55 -4.239 11.287 5.437 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.261 11.391 6.297 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.922 9.880 5.385 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.626 10.159 6.801 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.786 9.211 6.228 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.940 9.195 4.649 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.753 7.824 6.416 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.920 7.809 4.847 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.782 7.121 5.693 1.00 0.00 C ATOM 0 H TRP A 55 -2.394 14.446 3.841 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.873 13.398 6.394 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.281 13.153 4.375 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.124 11.997 3.745 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.739 12.322 6.563 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.374 9.978 7.470 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.255 9.698 3.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.440 7.323 7.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.184 7.235 4.305 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.703 6.048 5.792 1.00 0.00 H new ATOM 865 N MET A 56 -0.593 11.740 4.667 1.00 0.00 N ATOM 866 CA MET A 56 0.554 10.856 4.793 1.00 0.00 C ATOM 867 C MET A 56 1.519 11.360 5.868 1.00 0.00 C ATOM 868 O MET A 56 1.911 10.607 6.758 1.00 0.00 O ATOM 869 CB MET A 56 1.284 10.772 3.451 1.00 0.00 C ATOM 870 CG MET A 56 2.450 9.784 3.522 1.00 0.00 C ATOM 871 SD MET A 56 3.991 10.671 3.683 1.00 0.00 S ATOM 872 CE MET A 56 3.999 11.561 2.135 1.00 0.00 C ATOM 0 H MET A 56 -0.844 11.980 3.708 1.00 0.00 H new ATOM 0 HA MET A 56 0.197 9.868 5.085 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.587 10.462 2.673 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.655 11.758 3.172 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.317 9.112 4.370 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.469 9.165 2.625 1.00 0.00 H new ATOM 0 HE1 MET A 56 5.024 11.816 1.867 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.564 10.937 1.354 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.413 12.474 2.237 1.00 0.00 H new ATOM 882 N TYR A 57 1.874 12.632 5.750 1.00 0.00 N ATOM 883 CA TYR A 57 2.785 13.245 6.701 1.00 0.00 C ATOM 884 C TYR A 57 2.281 13.071 8.135 1.00 0.00 C ATOM 885 O TYR A 57 3.038 13.248 9.089 1.00 0.00 O ATOM 886 CB TYR A 57 2.810 14.737 6.360 1.00 0.00 C ATOM 887 CG TYR A 57 3.738 15.094 5.198 1.00 0.00 C ATOM 888 CD1 TYR A 57 4.015 14.157 4.222 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.299 16.353 5.124 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.889 14.493 3.128 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.173 16.689 4.031 1.00 0.00 C ATOM 892 CZ TYR A 57 5.425 15.743 3.087 1.00 0.00 C ATOM 893 OH TYR A 57 6.251 16.060 2.053 1.00 0.00 O ATOM 0 H TYR A 57 1.547 13.254 5.011 1.00 0.00 H new ATOM 0 HA TYR A 57 3.771 12.785 6.638 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.798 15.060 6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.119 15.296 7.243 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.576 13.172 4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.082 17.086 5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.114 13.770 2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.619 17.670 3.962 1.00 0.00 H new ATOM 0 HH TYR A 57 6.559 16.985 2.152 1.00 0.00 H new ATOM 903 N LYS A 58 1.007 12.725 8.243 1.00 0.00 N ATOM 904 CA LYS A 58 0.393 12.525 9.544 1.00 0.00 C ATOM 905 C LYS A 58 0.328 11.027 9.847 1.00 0.00 C ATOM 906 O LYS A 58 0.119 10.630 10.993 1.00 0.00 O ATOM 907 CB LYS A 58 -0.966 13.225 9.609 1.00 0.00 C ATOM 908 CG LYS A 58 -0.818 14.731 9.382 1.00 0.00 C ATOM 909 CD LYS A 58 -1.618 15.523 10.418 1.00 0.00 C ATOM 910 CE LYS A 58 -2.034 16.887 9.864 1.00 0.00 C ATOM 911 NZ LYS A 58 -0.854 17.769 9.717 1.00 0.00 N ATOM 0 H LYS A 58 0.383 12.578 7.450 1.00 0.00 H new ATOM 0 HA LYS A 58 0.999 12.983 10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.632 12.804 8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.427 13.043 10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.234 15.009 9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.161 14.987 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.504 14.958 10.707 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.019 15.660 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.523 16.760 8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.761 17.351 10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.154 18.691 9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.404 17.904 10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.174 17.332 9.063 1.00 0.00 H new ATOM 925 N ASN A 59 0.510 10.235 8.800 1.00 0.00 N ATOM 926 CA ASN A 59 0.475 8.789 8.940 1.00 0.00 C ATOM 927 C ASN A 59 1.869 8.221 8.671 1.00 0.00 C ATOM 928 O ASN A 59 2.006 7.171 8.045 1.00 0.00 O ATOM 929 CB ASN A 59 -0.493 8.162 7.935 1.00 0.00 C ATOM 930 CG ASN A 59 -1.921 8.664 8.161 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.866 7.900 8.268 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.024 9.988 8.229 1.00 0.00 N ATOM 0 H ASN A 59 0.682 10.568 7.851 1.00 0.00 H new ATOM 0 HA ASN A 59 0.145 8.556 9.952 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.176 8.403 6.920 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.467 7.076 8.028 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.935 10.422 8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.192 10.570 8.131 1.00 0.00 H new ATOM 939 N VAL A 60 2.870 8.940 9.157 1.00 0.00 N ATOM 940 CA VAL A 60 4.250 8.521 8.977 1.00 0.00 C ATOM 941 C VAL A 60 5.117 9.150 10.069 1.00 0.00 C ATOM 942 O VAL A 60 5.256 10.371 10.129 1.00 0.00 O ATOM 943 CB VAL A 60 4.722 8.868 7.564 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.191 8.487 7.368 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.837 8.200 6.510 1.00 0.00 C ATOM 0 H VAL A 60 2.753 9.811 9.676 1.00 0.00 H new ATOM 0 HA VAL A 60 4.337 7.439 9.077 1.00 0.00 H new ATOM 0 HB VAL A 60 4.636 9.947 7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.502 8.744 6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.807 9.030 8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.313 7.415 7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.195 8.463 5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.876 7.118 6.635 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.809 8.542 6.628 1.00 0.00 H new ATOM 955 N PRO A 61 5.692 8.266 10.928 1.00 0.00 N ATOM 956 CA PRO A 61 6.541 8.723 12.015 1.00 0.00 C ATOM 957 C PRO A 61 7.911 9.160 11.493 1.00 0.00 C ATOM 958 O PRO A 61 8.230 8.950 10.324 1.00 0.00 O ATOM 959 CB PRO A 61 6.619 7.547 12.974 1.00 0.00 C ATOM 960 CG PRO A 61 6.197 6.326 12.173 1.00 0.00 C ATOM 961 CD PRO A 61 5.549 6.814 10.887 1.00 0.00 C ATOM 0 HA PRO A 61 6.143 9.604 12.518 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.630 7.428 13.364 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.962 7.698 13.831 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.060 5.698 11.951 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.498 5.717 12.746 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.041 6.392 10.011 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.500 6.521 10.836 1.00 0.00 H new ATOM 969 N PRO A 62 8.705 9.777 12.409 1.00 0.00 N ATOM 970 CA PRO A 62 10.034 10.245 12.054 1.00 0.00 C ATOM 971 C PRO A 62 11.015 9.077 11.938 1.00 0.00 C ATOM 972 O PRO A 62 11.975 9.141 11.173 1.00 0.00 O ATOM 973 CB PRO A 62 10.409 11.230 13.148 1.00 0.00 C ATOM 974 CG PRO A 62 9.483 10.930 14.315 1.00 0.00 C ATOM 975 CD PRO A 62 8.360 10.042 13.803 1.00 0.00 C ATOM 0 HA PRO A 62 10.063 10.726 11.076 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.453 11.113 13.438 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.287 12.258 12.807 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.028 10.432 15.117 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.080 11.854 14.730 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.293 9.118 14.377 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.393 10.539 13.884 1.00 0.00 H new ATOM 983 N GLU A 63 10.739 8.036 12.710 1.00 0.00 N ATOM 984 CA GLU A 63 11.585 6.855 12.704 1.00 0.00 C ATOM 985 C GLU A 63 11.476 6.130 11.361 1.00 0.00 C ATOM 986 O GLU A 63 12.434 5.507 10.908 1.00 0.00 O ATOM 987 CB GLU A 63 11.230 5.920 13.862 1.00 0.00 C ATOM 988 CG GLU A 63 10.089 4.977 13.475 1.00 0.00 C ATOM 989 CD GLU A 63 9.537 4.251 14.704 1.00 0.00 C ATOM 990 OE1 GLU A 63 8.954 4.950 15.561 1.00 0.00 O ATOM 991 OE2 GLU A 63 9.710 3.015 14.758 1.00 0.00 O ATOM 0 H GLU A 63 9.941 7.986 13.344 1.00 0.00 H new ATOM 0 HA GLU A 63 12.619 7.172 12.840 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.107 5.338 14.146 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.941 6.508 14.733 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.292 5.543 12.994 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.446 4.248 12.747 1.00 0.00 H new ATOM 998 N LYS A 64 10.299 6.236 10.762 1.00 0.00 N ATOM 999 CA LYS A 64 10.052 5.599 9.480 1.00 0.00 C ATOM 1000 C LYS A 64 10.453 6.554 8.354 1.00 0.00 C ATOM 1001 O LYS A 64 10.852 6.116 7.276 1.00 0.00 O ATOM 1002 CB LYS A 64 8.602 5.119 9.391 1.00 0.00 C ATOM 1003 CG LYS A 64 8.296 4.092 10.483 1.00 0.00 C ATOM 1004 CD LYS A 64 8.930 2.739 10.157 1.00 0.00 C ATOM 1005 CE LYS A 64 8.063 1.589 10.674 1.00 0.00 C ATOM 1006 NZ LYS A 64 8.807 0.311 10.612 1.00 0.00 N ATOM 0 H LYS A 64 9.506 6.754 11.141 1.00 0.00 H new ATOM 0 HA LYS A 64 10.667 4.705 9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.927 5.970 9.487 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.421 4.678 8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.671 4.452 11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.217 3.976 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.060 2.645 9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.922 2.681 10.604 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.757 1.789 11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.153 1.516 10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.204 -0.459 10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.077 0.114 9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.663 0.379 11.199 1.00 0.00 H new ATOM 1020 N LYS A 65 10.335 7.842 8.644 1.00 0.00 N ATOM 1021 CA LYS A 65 10.681 8.863 7.669 1.00 0.00 C ATOM 1022 C LYS A 65 11.938 8.433 6.911 1.00 0.00 C ATOM 1023 O LYS A 65 12.973 8.164 7.519 1.00 0.00 O ATOM 1024 CB LYS A 65 10.809 10.229 8.347 1.00 0.00 C ATOM 1025 CG LYS A 65 9.480 10.986 8.308 1.00 0.00 C ATOM 1026 CD LYS A 65 9.577 12.304 9.080 1.00 0.00 C ATOM 1027 CE LYS A 65 8.334 12.526 9.944 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.375 13.863 10.577 1.00 0.00 N ATOM 0 H LYS A 65 10.005 8.202 9.540 1.00 0.00 H new ATOM 0 HA LYS A 65 9.885 8.971 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.127 10.097 9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.581 10.816 7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.202 11.186 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.692 10.367 8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.466 12.296 9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.691 13.132 8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.437 12.434 9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.275 11.755 10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.524 13.997 11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.221 13.937 11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.409 14.595 9.839 1.00 0.00 H new ATOM 1042 N PRO A 66 11.804 8.380 5.558 1.00 0.00 N ATOM 1043 CA PRO A 66 12.916 7.987 4.710 1.00 0.00 C ATOM 1044 C PRO A 66 13.945 9.114 4.599 1.00 0.00 C ATOM 1045 O PRO A 66 13.685 10.241 5.019 1.00 0.00 O ATOM 1046 CB PRO A 66 12.285 7.625 3.376 1.00 0.00 C ATOM 1047 CG PRO A 66 10.908 8.268 3.378 1.00 0.00 C ATOM 1048 CD PRO A 66 10.593 8.692 4.804 1.00 0.00 C ATOM 0 HA PRO A 66 13.475 7.142 5.113 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.887 7.994 2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.211 6.544 3.260 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.888 9.129 2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.158 7.565 3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.355 9.754 4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.731 8.152 5.197 1.00 0.00 H new ATOM 1056 N THR A 67 15.092 8.771 4.030 1.00 0.00 N ATOM 1057 CA THR A 67 16.161 9.740 3.858 1.00 0.00 C ATOM 1058 C THR A 67 16.213 10.694 5.053 1.00 0.00 C ATOM 1059 O THR A 67 16.808 10.375 6.081 1.00 0.00 O ATOM 1060 CB THR A 67 15.943 10.452 2.521 1.00 0.00 C ATOM 1061 OG1 THR A 67 16.108 9.423 1.549 1.00 0.00 O ATOM 1062 CG2 THR A 67 17.058 11.449 2.201 1.00 0.00 C ATOM 0 H THR A 67 15.304 7.836 3.682 1.00 0.00 H new ATOM 0 HA THR A 67 17.136 9.253 3.828 1.00 0.00 H new ATOM 0 HB THR A 67 14.985 10.972 2.538 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.982 9.797 0.652 1.00 0.00 H new ATOM 0 HG21 THR A 67 16.855 11.926 1.242 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.103 12.208 2.982 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.012 10.924 2.150 1.00 0.00 H new ATOM 1070 N GLN A 68 15.582 11.846 4.877 1.00 0.00 N ATOM 1071 CA GLN A 68 15.550 12.849 5.928 1.00 0.00 C ATOM 1072 C GLN A 68 14.448 13.874 5.650 1.00 0.00 C ATOM 1073 O GLN A 68 14.103 14.122 4.496 1.00 0.00 O ATOM 1074 CB GLN A 68 16.910 13.533 6.076 1.00 0.00 C ATOM 1075 CG GLN A 68 17.228 14.393 4.851 1.00 0.00 C ATOM 1076 CD GLN A 68 16.949 15.871 5.131 1.00 0.00 C ATOM 1077 OE1 GLN A 68 17.033 16.343 6.252 1.00 0.00 O ATOM 1078 NE2 GLN A 68 16.614 16.572 4.051 1.00 0.00 N ATOM 0 H GLN A 68 15.089 12.107 4.023 1.00 0.00 H new ATOM 0 HA GLN A 68 15.327 12.351 6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.913 14.154 6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 68 17.687 12.780 6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 68 18.274 14.263 4.573 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.629 14.060 4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.562 16.114 3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.409 17.568 4.133 1.00 0.00 H new ATOM 1087 N GLY A 69 13.926 14.442 6.727 1.00 0.00 N ATOM 1088 CA GLY A 69 12.871 15.434 6.614 1.00 0.00 C ATOM 1089 C GLY A 69 11.511 14.766 6.401 1.00 0.00 C ATOM 1090 O GLY A 69 11.366 13.563 6.612 1.00 0.00 O ATOM 0 H GLY A 69 14.215 14.234 7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.843 16.045 7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.085 16.105 5.782 1.00 0.00 H new ATOM 1094 N ASN A 70 10.548 15.576 5.985 1.00 0.00 N ATOM 1095 CA ASN A 70 9.205 15.078 5.741 1.00 0.00 C ATOM 1096 C ASN A 70 9.288 13.716 5.049 1.00 0.00 C ATOM 1097 O ASN A 70 10.295 13.396 4.419 1.00 0.00 O ATOM 1098 CB ASN A 70 8.424 16.026 4.829 1.00 0.00 C ATOM 1099 CG ASN A 70 8.521 17.470 5.325 1.00 0.00 C ATOM 1100 OD1 ASN A 70 8.085 17.810 6.413 1.00 0.00 O ATOM 1101 ND2 ASN A 70 9.116 18.297 4.471 1.00 0.00 N ATOM 0 H ASN A 70 10.671 16.573 5.811 1.00 0.00 H new ATOM 0 HA ASN A 70 8.695 14.999 6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.812 15.960 3.813 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.378 15.720 4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.230 19.282 4.711 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.458 17.947 3.576 1.00 0.00 H new ATOM 1108 N PRO A 71 8.187 12.930 5.192 1.00 0.00 N ATOM 1109 CA PRO A 71 8.126 11.610 4.588 1.00 0.00 C ATOM 1110 C PRO A 71 7.902 11.709 3.078 1.00 0.00 C ATOM 1111 O PRO A 71 6.944 12.337 2.628 1.00 0.00 O ATOM 1112 CB PRO A 71 6.995 10.899 5.311 1.00 0.00 C ATOM 1113 CG PRO A 71 6.165 11.992 5.965 1.00 0.00 C ATOM 1114 CD PRO A 71 6.976 13.276 5.931 1.00 0.00 C ATOM 0 HA PRO A 71 9.058 11.055 4.693 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.393 10.315 4.615 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.383 10.205 6.056 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.221 12.123 5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.920 11.722 6.992 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.427 14.078 5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.212 13.622 6.937 1.00 0.00 H new ATOM 1122 N LEU A 72 8.801 11.078 2.336 1.00 0.00 N ATOM 1123 CA LEU A 72 8.713 11.087 0.885 1.00 0.00 C ATOM 1124 C LEU A 72 8.141 9.751 0.406 1.00 0.00 C ATOM 1125 O LEU A 72 8.202 8.753 1.121 1.00 0.00 O ATOM 1126 CB LEU A 72 10.070 11.432 0.269 1.00 0.00 C ATOM 1127 CG LEU A 72 10.636 12.809 0.621 1.00 0.00 C ATOM 1128 CD1 LEU A 72 12.151 12.848 0.414 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.922 13.913 -0.162 1.00 0.00 C ATOM 0 H LEU A 72 9.593 10.557 2.712 1.00 0.00 H new ATOM 0 HA LEU A 72 8.029 11.866 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.790 10.675 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.982 11.364 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 72 10.450 12.994 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.528 13.838 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.625 12.102 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.381 12.632 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.344 14.881 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.054 13.744 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.859 13.901 0.079 1.00 0.00 H new ATOM 1141 N PRO A 73 7.583 9.777 -0.834 1.00 0.00 N ATOM 1142 CA PRO A 73 7.001 8.581 -1.418 1.00 0.00 C ATOM 1143 C PRO A 73 8.089 7.616 -1.890 1.00 0.00 C ATOM 1144 O PRO A 73 9.263 7.979 -1.949 1.00 0.00 O ATOM 1145 CB PRO A 73 6.121 9.084 -2.551 1.00 0.00 C ATOM 1146 CG PRO A 73 6.601 10.494 -2.857 1.00 0.00 C ATOM 1147 CD PRO A 73 7.492 10.942 -1.710 1.00 0.00 C ATOM 0 HA PRO A 73 6.415 8.006 -0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.209 8.443 -3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 73 5.071 9.084 -2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.151 10.514 -3.798 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.753 11.170 -2.968 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.476 11.246 -2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.065 11.798 -1.188 1.00 0.00 H new ATOM 1155 N PRO A 74 7.650 6.372 -2.224 1.00 0.00 N ATOM 1156 CA PRO A 74 6.243 6.025 -2.125 1.00 0.00 C ATOM 1157 C PRO A 74 5.830 5.817 -0.666 1.00 0.00 C ATOM 1158 O PRO A 74 6.682 5.722 0.216 1.00 0.00 O ATOM 1159 CB PRO A 74 6.087 4.771 -2.970 1.00 0.00 C ATOM 1160 CG PRO A 74 7.487 4.200 -3.131 1.00 0.00 C ATOM 1161 CD PRO A 74 8.478 5.269 -2.701 1.00 0.00 C ATOM 0 HA PRO A 74 5.588 6.818 -2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.426 4.053 -2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.647 5.005 -3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.606 3.303 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.664 3.909 -4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.140 4.903 -1.916 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.111 5.580 -3.532 1.00 0.00 H new ATOM 1169 N GLN A 75 4.523 5.754 -0.458 1.00 0.00 N ATOM 1170 CA GLN A 75 3.987 5.559 0.879 1.00 0.00 C ATOM 1171 C GLN A 75 2.724 4.698 0.824 1.00 0.00 C ATOM 1172 O GLN A 75 1.616 5.204 0.991 1.00 0.00 O ATOM 1173 CB GLN A 75 3.707 6.901 1.557 1.00 0.00 C ATOM 1174 CG GLN A 75 4.999 7.533 2.079 1.00 0.00 C ATOM 1175 CD GLN A 75 5.639 6.659 3.160 1.00 0.00 C ATOM 1176 OE1 GLN A 75 5.071 5.683 3.622 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.849 7.062 3.535 1.00 0.00 N ATOM 0 H GLN A 75 3.820 5.834 -1.192 1.00 0.00 H new ATOM 0 HA GLN A 75 4.733 5.036 1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.228 7.577 0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.009 6.757 2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.700 7.670 1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.786 8.522 2.485 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.267 7.888 3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.360 6.545 4.251 1.00 0.00 H new ATOM 1186 N ILE A 76 2.934 3.411 0.590 1.00 0.00 N ATOM 1187 CA ILE A 76 1.826 2.474 0.511 1.00 0.00 C ATOM 1188 C ILE A 76 0.924 2.654 1.734 1.00 0.00 C ATOM 1189 O ILE A 76 1.412 2.811 2.852 1.00 0.00 O ATOM 1190 CB ILE A 76 2.343 1.045 0.334 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.161 0.914 -0.953 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.195 0.036 0.389 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.646 0.719 -0.642 1.00 0.00 C ATOM 0 H ILE A 76 3.855 2.995 0.453 1.00 0.00 H new ATOM 0 HA ILE A 76 1.217 2.679 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 76 3.011 0.818 1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.794 0.070 -1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.028 1.806 -1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.590 -0.972 0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.693 0.109 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.483 0.251 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.204 0.629 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.016 1.576 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.778 -0.187 -0.051 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.376 2.625 1.479 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.351 2.783 2.545 1.00 0.00 C ATOM 1207 C PHE A 77 -2.599 1.941 2.276 1.00 0.00 C ATOM 1208 O PHE A 77 -3.403 2.275 1.407 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.745 4.261 2.576 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.867 5.120 3.489 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.873 4.910 4.833 1.00 0.00 C ATOM 1212 CD2 PHE A 77 -0.081 6.094 2.957 1.00 0.00 C ATOM 1213 CE1 PHE A 77 -0.058 5.707 5.680 1.00 0.00 C ATOM 1214 CE2 PHE A 77 0.734 6.891 3.804 1.00 0.00 C ATOM 1215 CZ PHE A 77 0.728 6.680 5.148 1.00 0.00 C ATOM 0 H PHE A 77 -0.777 2.494 0.550 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.922 2.456 3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.698 4.660 1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.781 4.343 2.903 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.498 4.137 5.256 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.077 6.261 1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.063 5.540 6.747 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.358 7.664 3.381 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.348 7.286 5.792 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.724 0.864 3.038 1.00 0.00 N ATOM 1226 CA ASN A 78 -3.861 -0.029 2.893 1.00 0.00 C ATOM 1227 C ASN A 78 -5.086 0.601 3.558 1.00 0.00 C ATOM 1228 O ASN A 78 -5.396 0.298 4.709 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.594 -1.375 3.570 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.748 -2.350 3.325 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -5.878 -2.128 3.727 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.400 -3.438 2.645 1.00 0.00 N ATOM 0 H ASN A 78 -2.056 0.590 3.758 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.031 -0.189 1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.666 -1.801 3.188 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.459 -1.227 4.641 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.098 -4.150 2.430 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.435 -3.561 2.338 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.751 1.464 2.804 1.00 0.00 N ATOM 1240 CA GLY A 79 -6.935 2.139 3.307 1.00 0.00 C ATOM 1241 C GLY A 79 -6.556 3.344 4.169 1.00 0.00 C ATOM 1242 O GLY A 79 -6.355 4.443 3.654 1.00 0.00 O ATOM 0 H GLY A 79 -5.492 1.711 1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.554 2.466 2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.533 1.442 3.894 1.00 0.00 H new ATOM 1246 N ASP A 80 -6.469 3.098 5.468 1.00 0.00 N ATOM 1247 CA ASP A 80 -6.118 4.149 6.408 1.00 0.00 C ATOM 1248 C ASP A 80 -5.064 3.623 7.384 1.00 0.00 C ATOM 1249 O ASP A 80 -4.843 4.212 8.441 1.00 0.00 O ATOM 1250 CB ASP A 80 -7.336 4.592 7.220 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.172 5.922 7.959 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -6.428 5.924 8.964 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -7.793 6.906 7.503 1.00 0.00 O ATOM 0 H ASP A 80 -6.636 2.185 5.892 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.737 4.997 5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.192 4.669 6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.570 3.816 7.948 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.441 2.520 6.995 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.416 1.908 7.823 1.00 0.00 C ATOM 1260 C ARG A 81 -2.048 2.029 7.150 1.00 0.00 C ATOM 1261 O ARG A 81 -1.915 1.769 5.955 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.723 0.431 8.078 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.952 0.167 9.567 1.00 0.00 C ATOM 1264 CD ARG A 81 -4.081 -1.332 9.845 1.00 0.00 C ATOM 1265 NE ARG A 81 -2.862 -1.829 10.520 1.00 0.00 N ATOM 1266 CZ ARG A 81 -2.593 -1.642 11.819 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -3.457 -0.970 12.592 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -1.461 -2.129 12.346 1.00 0.00 N ATOM 0 H ARG A 81 -4.626 2.034 6.117 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.403 2.434 8.777 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.607 0.137 7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.897 -0.183 7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.124 0.577 10.144 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.855 0.681 9.896 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.955 -1.520 10.469 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.235 -1.872 8.910 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.184 -2.347 9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.319 -0.601 12.191 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.252 -0.828 13.581 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.804 -2.642 11.758 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.256 -1.987 13.335 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.065 2.424 7.946 1.00 0.00 N ATOM 1283 CA TYR A 82 0.288 2.583 7.442 1.00 0.00 C ATOM 1284 C TYR A 82 0.911 1.227 7.105 1.00 0.00 C ATOM 1285 O TYR A 82 1.034 0.364 7.973 1.00 0.00 O ATOM 1286 CB TYR A 82 1.087 3.230 8.575 1.00 0.00 C ATOM 1287 CG TYR A 82 2.474 3.722 8.156 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.656 4.301 6.916 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.543 3.588 9.018 1.00 0.00 C ATOM 1290 CE1 TYR A 82 3.962 4.764 6.522 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.849 4.051 8.624 1.00 0.00 C ATOM 1292 CZ TYR A 82 4.993 4.616 7.396 1.00 0.00 C ATOM 1293 OH TYR A 82 6.226 5.053 7.024 1.00 0.00 O ATOM 0 H TYR A 82 -1.179 2.639 8.937 1.00 0.00 H new ATOM 0 HA TYR A 82 0.290 3.184 6.533 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.519 4.071 8.972 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.198 2.509 9.385 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.819 4.407 6.241 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.401 3.136 9.988 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.119 5.218 5.555 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.694 3.952 9.289 1.00 0.00 H new ATOM 0 HH TYR A 82 6.144 5.638 6.242 1.00 0.00 H new ATOM 1303 N CYS A 83 1.286 1.081 5.843 1.00 0.00 N ATOM 1304 CA CYS A 83 1.893 -0.156 5.381 1.00 0.00 C ATOM 1305 C CYS A 83 3.406 -0.055 5.584 1.00 0.00 C ATOM 1306 O CYS A 83 3.967 -0.727 6.448 1.00 0.00 O ATOM 1307 CB CYS A 83 1.531 -0.454 3.925 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.162 -1.143 3.829 1.00 0.00 S ATOM 0 H CYS A 83 1.181 1.799 5.126 1.00 0.00 H new ATOM 0 HA CYS A 83 1.505 -0.993 5.962 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.595 0.458 3.332 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.245 -1.161 3.502 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.460 -1.391 2.588 1.00 0.00 H new ATOM 1314 N GLY A 84 4.024 0.792 4.773 1.00 0.00 N ATOM 1315 CA GLY A 84 5.461 0.990 4.853 1.00 0.00 C ATOM 1316 C GLY A 84 6.002 1.605 3.561 1.00 0.00 C ATOM 1317 O GLY A 84 5.462 1.365 2.482 1.00 0.00 O ATOM 0 H GLY A 84 3.556 1.348 4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.696 1.640 5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.953 0.036 5.040 1.00 0.00 H new ATOM 1321 N ASP A 85 7.062 2.385 3.713 1.00 0.00 N ATOM 1322 CA ASP A 85 7.683 3.035 2.571 1.00 0.00 C ATOM 1323 C ASP A 85 8.206 1.970 1.605 1.00 0.00 C ATOM 1324 O ASP A 85 8.088 0.775 1.870 1.00 0.00 O ATOM 1325 CB ASP A 85 8.866 3.901 3.006 1.00 0.00 C ATOM 1326 CG ASP A 85 9.713 3.317 4.139 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.102 2.884 5.140 1.00 0.00 O ATOM 1328 OD2 ASP A 85 10.953 3.315 3.978 1.00 0.00 O ATOM 0 H ASP A 85 7.507 2.582 4.610 1.00 0.00 H new ATOM 0 HA ASP A 85 6.933 3.664 2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.509 4.071 2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.489 4.874 3.319 1.00 0.00 H new ATOM 1333 N TYR A 86 8.772 2.443 0.504 1.00 0.00 N ATOM 1334 CA TYR A 86 9.314 1.546 -0.503 1.00 0.00 C ATOM 1335 C TYR A 86 10.189 0.467 0.138 1.00 0.00 C ATOM 1336 O TYR A 86 10.100 -0.705 -0.224 1.00 0.00 O ATOM 1337 CB TYR A 86 10.181 2.413 -1.417 1.00 0.00 C ATOM 1338 CG TYR A 86 11.213 1.626 -2.227 1.00 0.00 C ATOM 1339 CD1 TYR A 86 10.805 0.829 -3.277 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.553 1.711 -1.906 1.00 0.00 C ATOM 1341 CE1 TYR A 86 11.777 0.088 -4.039 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.524 0.970 -2.667 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.088 0.195 -3.696 1.00 0.00 C ATOM 1344 OH TYR A 86 14.006 -0.505 -4.416 1.00 0.00 O ATOM 0 H TYR A 86 8.867 3.435 0.287 1.00 0.00 H new ATOM 0 HA TYR A 86 8.511 1.044 -1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.534 2.958 -2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.700 3.156 -0.811 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.757 0.761 -3.527 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.873 2.334 -1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.471 -0.538 -4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.575 1.028 -2.426 1.00 0.00 H new ATOM 0 HH TYR A 86 14.245 -1.324 -3.933 1.00 0.00 H new ATOM 1354 N ASP A 87 11.016 0.902 1.077 1.00 0.00 N ATOM 1355 CA ASP A 87 11.907 -0.012 1.771 1.00 0.00 C ATOM 1356 C ASP A 87 11.110 -1.226 2.254 1.00 0.00 C ATOM 1357 O ASP A 87 11.450 -2.364 1.932 1.00 0.00 O ATOM 1358 CB ASP A 87 12.538 0.656 2.995 1.00 0.00 C ATOM 1359 CG ASP A 87 13.610 1.701 2.679 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.432 1.418 1.781 1.00 0.00 O ATOM 1361 OD2 ASP A 87 13.583 2.760 3.344 1.00 0.00 O ATOM 0 H ASP A 87 11.088 1.875 1.374 1.00 0.00 H new ATOM 0 HA ASP A 87 12.693 -0.309 1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.749 1.131 3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.979 -0.116 3.625 1.00 0.00 H new ATOM 1366 N SER A 88 10.066 -0.943 3.019 1.00 0.00 N ATOM 1367 CA SER A 88 9.219 -1.997 3.549 1.00 0.00 C ATOM 1368 C SER A 88 8.810 -2.954 2.427 1.00 0.00 C ATOM 1369 O SER A 88 9.074 -4.153 2.503 1.00 0.00 O ATOM 1370 CB SER A 88 7.977 -1.416 4.229 1.00 0.00 C ATOM 1371 OG SER A 88 8.303 -0.715 5.427 1.00 0.00 O ATOM 0 H SER A 88 9.788 0.002 3.284 1.00 0.00 H new ATOM 0 HA SER A 88 9.787 -2.547 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.469 -0.741 3.540 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.279 -2.221 4.459 1.00 0.00 H new ATOM 0 HG SER A 88 7.628 -0.905 6.111 1.00 0.00 H new ATOM 1377 N PHE A 89 8.173 -2.388 1.413 1.00 0.00 N ATOM 1378 CA PHE A 89 7.726 -3.176 0.277 1.00 0.00 C ATOM 1379 C PHE A 89 8.831 -4.118 -0.206 1.00 0.00 C ATOM 1380 O PHE A 89 8.668 -5.337 -0.180 1.00 0.00 O ATOM 1381 CB PHE A 89 7.384 -2.192 -0.843 1.00 0.00 C ATOM 1382 CG PHE A 89 6.927 -2.861 -2.141 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.685 -3.409 -2.223 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.763 -2.908 -3.213 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.261 -4.030 -3.428 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.339 -3.529 -4.418 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.097 -4.077 -4.499 1.00 0.00 C ATOM 0 H PHE A 89 7.956 -1.393 1.354 1.00 0.00 H new ATOM 0 HA PHE A 89 6.867 -3.784 0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.598 -1.521 -0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.259 -1.577 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.021 -3.372 -1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.749 -2.473 -3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.275 -4.465 -3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.003 -3.566 -5.269 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.775 -4.550 -5.415 1.00 0.00 H new ATOM 1397 N PHE A 90 9.930 -3.516 -0.637 1.00 0.00 N ATOM 1398 CA PHE A 90 11.062 -4.285 -1.125 1.00 0.00 C ATOM 1399 C PHE A 90 11.462 -5.369 -0.122 1.00 0.00 C ATOM 1400 O PHE A 90 11.515 -6.549 -0.466 1.00 0.00 O ATOM 1401 CB PHE A 90 12.227 -3.308 -1.295 1.00 0.00 C ATOM 1402 CG PHE A 90 13.376 -3.852 -2.145 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.137 -4.881 -1.682 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.638 -3.308 -3.363 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.204 -5.386 -2.472 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.705 -3.813 -4.153 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.466 -4.841 -3.690 1.00 0.00 C ATOM 0 H PHE A 90 10.060 -2.505 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 90 10.802 -4.775 -2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.855 -2.390 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.611 -3.042 -0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 90 13.930 -5.313 -0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.034 -2.491 -3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 90 15.807 -6.203 -2.105 1.00 0.00 H new ATOM 0 HE2 PHE A 90 14.912 -3.381 -5.121 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.278 -5.224 -4.290 1.00 0.00 H new ATOM 1417 N GLU A 91 11.734 -4.930 1.098 1.00 0.00 N ATOM 1418 CA GLU A 91 12.128 -5.848 2.153 1.00 0.00 C ATOM 1419 C GLU A 91 11.189 -7.055 2.184 1.00 0.00 C ATOM 1420 O GLU A 91 11.641 -8.195 2.289 1.00 0.00 O ATOM 1421 CB GLU A 91 12.159 -5.142 3.510 1.00 0.00 C ATOM 1422 CG GLU A 91 13.584 -5.079 4.063 1.00 0.00 C ATOM 1423 CD GLU A 91 14.186 -6.480 4.188 1.00 0.00 C ATOM 1424 OE1 GLU A 91 14.747 -6.950 3.174 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.072 -7.050 5.295 1.00 0.00 O ATOM 0 H GLU A 91 11.689 -3.951 1.379 1.00 0.00 H new ATOM 0 HA GLU A 91 13.137 -6.203 1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.760 -4.133 3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.515 -5.670 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.206 -4.469 3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.578 -4.593 5.039 1.00 0.00 H new ATOM 1432 N SER A 92 9.900 -6.765 2.091 1.00 0.00 N ATOM 1433 CA SER A 92 8.893 -7.813 2.107 1.00 0.00 C ATOM 1434 C SER A 92 8.931 -8.594 0.793 1.00 0.00 C ATOM 1435 O SER A 92 8.619 -9.784 0.765 1.00 0.00 O ATOM 1436 CB SER A 92 7.497 -7.232 2.340 1.00 0.00 C ATOM 1437 OG SER A 92 7.123 -7.276 3.714 1.00 0.00 O ATOM 0 H SER A 92 9.529 -5.819 2.004 1.00 0.00 H new ATOM 0 HA SER A 92 9.117 -8.490 2.931 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.471 -6.200 1.990 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.770 -7.788 1.748 1.00 0.00 H new ATOM 0 HG SER A 92 7.002 -8.208 3.990 1.00 0.00 H new ATOM 1443 N LYS A 93 9.314 -7.894 -0.265 1.00 0.00 N ATOM 1444 CA LYS A 93 9.396 -8.507 -1.579 1.00 0.00 C ATOM 1445 C LYS A 93 10.339 -9.711 -1.518 1.00 0.00 C ATOM 1446 O LYS A 93 9.993 -10.799 -1.975 1.00 0.00 O ATOM 1447 CB LYS A 93 9.792 -7.469 -2.631 1.00 0.00 C ATOM 1448 CG LYS A 93 8.942 -7.618 -3.895 1.00 0.00 C ATOM 1449 CD LYS A 93 8.583 -6.250 -4.479 1.00 0.00 C ATOM 1450 CE LYS A 93 9.842 -5.471 -4.864 1.00 0.00 C ATOM 1451 NZ LYS A 93 9.772 -5.041 -6.279 1.00 0.00 N ATOM 0 H LYS A 93 9.571 -6.907 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 93 8.419 -8.882 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.669 -6.466 -2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.846 -7.584 -2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.486 -8.202 -4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.031 -8.168 -3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.949 -6.380 -5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.007 -5.680 -3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.950 -4.600 -4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.723 -6.093 -4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.328 -4.171 -6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.157 -5.790 -6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.781 -4.859 -6.538 1.00 0.00 H new ATOM 1465 N GLU A 94 11.512 -9.474 -0.949 1.00 0.00 N ATOM 1466 CA GLU A 94 12.508 -10.525 -0.822 1.00 0.00 C ATOM 1467 C GLU A 94 11.933 -11.709 -0.041 1.00 0.00 C ATOM 1468 O GLU A 94 12.356 -12.848 -0.234 1.00 0.00 O ATOM 1469 CB GLU A 94 13.781 -9.997 -0.158 1.00 0.00 C ATOM 1470 CG GLU A 94 14.517 -9.023 -1.081 1.00 0.00 C ATOM 1471 CD GLU A 94 16.018 -9.013 -0.782 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.357 -8.933 0.418 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.791 -9.085 -1.761 1.00 0.00 O ATOM 0 H GLU A 94 11.795 -8.570 -0.571 1.00 0.00 H new ATOM 0 HA GLU A 94 12.775 -10.869 -1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.527 -9.497 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.437 -10.831 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.351 -9.306 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.111 -8.019 -0.955 1.00 0.00 H new ATOM 1480 N SER A 95 10.979 -11.399 0.824 1.00 0.00 N ATOM 1481 CA SER A 95 10.342 -12.423 1.634 1.00 0.00 C ATOM 1482 C SER A 95 8.999 -12.819 1.017 1.00 0.00 C ATOM 1483 O SER A 95 8.239 -13.582 1.612 1.00 0.00 O ATOM 1484 CB SER A 95 10.144 -11.943 3.073 1.00 0.00 C ATOM 1485 OG SER A 95 11.104 -12.509 3.962 1.00 0.00 O ATOM 0 H SER A 95 10.632 -10.453 0.982 1.00 0.00 H new ATOM 0 HA SER A 95 10.995 -13.295 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.216 -10.856 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.141 -12.206 3.408 1.00 0.00 H new ATOM 0 HG SER A 95 10.945 -12.177 4.870 1.00 0.00 H new ATOM 1491 N ASN A 96 8.747 -12.282 -0.168 1.00 0.00 N ATOM 1492 CA ASN A 96 7.509 -12.569 -0.872 1.00 0.00 C ATOM 1493 C ASN A 96 6.332 -12.423 0.095 1.00 0.00 C ATOM 1494 O ASN A 96 5.542 -13.351 0.262 1.00 0.00 O ATOM 1495 CB ASN A 96 7.502 -14.001 -1.412 1.00 0.00 C ATOM 1496 CG ASN A 96 6.567 -14.128 -2.616 1.00 0.00 C ATOM 1497 OD1 ASN A 96 5.353 -14.103 -2.498 1.00 0.00 O ATOM 1498 ND2 ASN A 96 7.198 -14.265 -3.779 1.00 0.00 N ATOM 0 H ASN A 96 9.380 -11.650 -0.658 1.00 0.00 H new ATOM 0 HA ASN A 96 7.424 -11.869 -1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.513 -14.290 -1.700 1.00 0.00 H new ATOM 0 HB3 ASN A 96 7.186 -14.688 -0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.662 -14.357 -4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.218 -14.278 -3.808 1.00 0.00 H new ATOM 1505 N THR A 97 6.252 -11.250 0.706 1.00 0.00 N ATOM 1506 CA THR A 97 5.184 -10.970 1.651 1.00 0.00 C ATOM 1507 C THR A 97 4.470 -9.669 1.279 1.00 0.00 C ATOM 1508 O THR A 97 3.573 -9.223 1.993 1.00 0.00 O ATOM 1509 CB THR A 97 5.790 -10.950 3.056 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.037 -10.282 2.887 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.179 -12.347 3.545 1.00 0.00 C ATOM 0 H THR A 97 6.909 -10.483 0.565 1.00 0.00 H new ATOM 0 HA THR A 97 4.417 -11.744 1.622 1.00 0.00 H new ATOM 0 HB THR A 97 5.078 -10.506 3.752 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.497 -10.224 3.751 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.604 -12.277 4.546 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.294 -12.983 3.570 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.916 -12.777 2.867 1.00 0.00 H new ATOM 1519 N VAL A 98 4.896 -9.096 0.163 1.00 0.00 N ATOM 1520 CA VAL A 98 4.308 -7.855 -0.312 1.00 0.00 C ATOM 1521 C VAL A 98 2.806 -7.863 -0.023 1.00 0.00 C ATOM 1522 O VAL A 98 2.276 -6.913 0.551 1.00 0.00 O ATOM 1523 CB VAL A 98 4.631 -7.657 -1.795 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.624 -6.711 -2.453 1.00 0.00 C ATOM 1525 CG2 VAL A 98 6.062 -7.152 -1.982 1.00 0.00 C ATOM 0 H VAL A 98 5.641 -9.468 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 98 4.736 -7.003 0.217 1.00 0.00 H new ATOM 0 HB VAL A 98 4.552 -8.626 -2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.876 -6.587 -3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.621 -7.130 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.657 -5.742 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.265 -7.020 -3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.181 -6.198 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.761 -7.878 -1.566 1.00 0.00 H new ATOM 1535 N PHE A 99 2.163 -8.946 -0.432 1.00 0.00 N ATOM 1536 CA PHE A 99 0.732 -9.091 -0.224 1.00 0.00 C ATOM 1537 C PHE A 99 0.366 -8.866 1.244 1.00 0.00 C ATOM 1538 O PHE A 99 -0.522 -8.073 1.552 1.00 0.00 O ATOM 1539 CB PHE A 99 0.366 -10.524 -0.615 1.00 0.00 C ATOM 1540 CG PHE A 99 0.186 -10.732 -2.120 1.00 0.00 C ATOM 1541 CD1 PHE A 99 1.276 -10.836 -2.927 1.00 0.00 C ATOM 1542 CD2 PHE A 99 -1.063 -10.812 -2.652 1.00 0.00 C ATOM 1543 CE1 PHE A 99 1.110 -11.029 -4.324 1.00 0.00 C ATOM 1544 CE2 PHE A 99 -1.230 -11.005 -4.049 1.00 0.00 C ATOM 1545 CZ PHE A 99 -0.140 -11.109 -4.855 1.00 0.00 C ATOM 0 H PHE A 99 2.607 -9.732 -0.907 1.00 0.00 H new ATOM 0 HA PHE A 99 0.193 -8.356 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.144 -11.198 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.557 -10.804 -0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.268 -10.772 -2.505 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.929 -10.729 -2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.976 -11.112 -4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.222 -11.069 -4.471 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.267 -11.255 -5.918 1.00 0.00 H new ATOM 1555 N SER A 100 1.070 -9.579 2.112 1.00 0.00 N ATOM 1556 CA SER A 100 0.831 -9.467 3.541 1.00 0.00 C ATOM 1557 C SER A 100 1.276 -8.091 4.040 1.00 0.00 C ATOM 1558 O SER A 100 0.621 -7.494 4.892 1.00 0.00 O ATOM 1559 CB SER A 100 1.558 -10.572 4.309 1.00 0.00 C ATOM 1560 OG SER A 100 1.043 -10.733 5.628 1.00 0.00 O ATOM 0 H SER A 100 1.806 -10.236 1.853 1.00 0.00 H new ATOM 0 HA SER A 100 -0.238 -9.582 3.719 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.465 -11.513 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.621 -10.338 4.361 1.00 0.00 H new ATOM 0 HG SER A 100 1.532 -11.449 6.085 1.00 0.00 H new ATOM 1566 N PHE A 101 2.389 -7.628 3.488 1.00 0.00 N ATOM 1567 CA PHE A 101 2.930 -6.334 3.867 1.00 0.00 C ATOM 1568 C PHE A 101 1.881 -5.232 3.703 1.00 0.00 C ATOM 1569 O PHE A 101 1.809 -4.313 4.517 1.00 0.00 O ATOM 1570 CB PHE A 101 4.104 -6.048 2.929 1.00 0.00 C ATOM 1571 CG PHE A 101 4.398 -4.559 2.736 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.495 -3.740 3.817 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.562 -4.055 1.483 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.768 -2.358 3.637 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.835 -2.673 1.304 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.932 -1.854 2.385 1.00 0.00 C ATOM 0 H PHE A 101 2.930 -8.126 2.781 1.00 0.00 H new ATOM 0 HA PHE A 101 3.239 -6.352 4.912 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.996 -6.536 3.321 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.897 -6.496 1.957 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.365 -4.140 4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.485 -4.706 0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.845 -1.707 4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.966 -2.273 0.310 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.139 -0.803 2.249 1.00 0.00 H new ATOM 1586 N LEU A 102 1.094 -5.361 2.645 1.00 0.00 N ATOM 1587 CA LEU A 102 0.053 -4.388 2.364 1.00 0.00 C ATOM 1588 C LEU A 102 -1.205 -4.749 3.157 1.00 0.00 C ATOM 1589 O LEU A 102 -2.025 -3.882 3.456 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.182 -4.275 0.856 1.00 0.00 C ATOM 1591 CG LEU A 102 1.070 -4.302 -0.022 1.00 0.00 C ATOM 1592 CD1 LEU A 102 0.845 -5.154 -1.272 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.527 -2.884 -0.369 1.00 0.00 C ATOM 0 H LEU A 102 1.157 -6.125 1.972 1.00 0.00 H new ATOM 0 HA LEU A 102 0.362 -3.395 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.835 -5.092 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.719 -3.347 0.661 1.00 0.00 H new ATOM 0 HG LEU A 102 1.875 -4.770 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.751 -5.156 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.603 -6.175 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.021 -4.739 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.419 -2.932 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.733 -2.368 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.755 -2.341 0.548 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.317 -6.030 3.475 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.461 -6.517 4.228 1.00 0.00 C ATOM 1607 C GLY A 103 -3.431 -7.277 3.321 1.00 0.00 C ATOM 1608 O GLY A 103 -4.646 -7.164 3.472 1.00 0.00 O ATOM 0 H GLY A 103 -0.635 -6.746 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.121 -7.171 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.976 -5.678 4.696 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.857 -8.036 2.399 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.655 -8.815 1.468 1.00 0.00 C ATOM 1614 C LEU A 104 -3.582 -10.294 1.853 1.00 0.00 C ATOM 1615 O LEU A 104 -3.148 -11.126 1.057 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.225 -8.533 0.027 1.00 0.00 C ATOM 1617 CG LEU A 104 -2.983 -7.064 -0.325 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.304 -6.932 -1.690 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.283 -6.261 -0.252 1.00 0.00 C ATOM 0 H LEU A 104 -1.849 -8.128 2.277 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.703 -8.521 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.310 -9.090 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.990 -8.925 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.303 -6.643 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.143 -5.878 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.345 -7.449 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.940 -7.375 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.083 -5.220 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.006 -6.674 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.688 -6.316 0.758 1.00 0.00 H new ATOM 1631 N LYS A 105 -4.012 -10.576 3.074 1.00 0.00 N ATOM 1632 CA LYS A 105 -4.000 -11.940 3.575 1.00 0.00 C ATOM 1633 C LYS A 105 -4.678 -11.982 4.946 1.00 0.00 C ATOM 1634 O LYS A 105 -5.059 -10.944 5.485 1.00 0.00 O ATOM 1635 CB LYS A 105 -2.576 -12.499 3.576 1.00 0.00 C ATOM 1636 CG LYS A 105 -2.516 -13.850 2.861 1.00 0.00 C ATOM 1637 CD LYS A 105 -1.162 -14.527 3.080 1.00 0.00 C ATOM 1638 CE LYS A 105 -0.835 -15.485 1.932 1.00 0.00 C ATOM 1639 NZ LYS A 105 0.610 -15.438 1.614 1.00 0.00 N ATOM 0 H LYS A 105 -4.371 -9.883 3.731 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.573 -12.592 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -1.905 -11.794 3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.226 -12.611 4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.313 -14.496 3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.687 -13.709 1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.382 -13.770 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.173 -15.074 4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.120 -16.501 2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.417 -15.217 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.815 -16.094 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.872 -14.472 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.159 -15.716 2.452 1.00 0.00 H new ATOM 1653 N SER A 106 -4.806 -13.192 5.471 1.00 0.00 N ATOM 1654 CA SER A 106 -5.431 -13.382 6.769 1.00 0.00 C ATOM 1655 C SER A 106 -6.931 -13.096 6.674 1.00 0.00 C ATOM 1656 O SER A 106 -7.751 -13.978 6.926 1.00 0.00 O ATOM 1657 CB SER A 106 -4.786 -12.485 7.827 1.00 0.00 C ATOM 1658 OG SER A 106 -3.365 -12.596 7.827 1.00 0.00 O ATOM 0 H SER A 106 -4.488 -14.050 5.021 1.00 0.00 H new ATOM 0 HA SER A 106 -5.283 -14.419 7.071 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.069 -11.448 7.644 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.170 -12.752 8.812 1.00 0.00 H new ATOM 0 HG SER A 106 -2.991 -12.007 8.515 1.00 0.00 H new ATOM 1664 N GLY A 107 -7.244 -11.861 6.311 1.00 0.00 N ATOM 1665 CA GLY A 107 -8.631 -11.449 6.180 1.00 0.00 C ATOM 1666 C GLY A 107 -9.373 -12.330 5.173 1.00 0.00 C ATOM 1667 O GLY A 107 -8.887 -13.397 4.800 1.00 0.00 O ATOM 0 H GLY A 107 -6.561 -11.132 6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -9.124 -11.506 7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -8.676 -10.408 5.860 1.00 0.00 H new ATOM 1671 N PRO A 108 -10.568 -11.839 4.750 1.00 0.00 N ATOM 1672 CA PRO A 108 -11.382 -12.570 3.794 1.00 0.00 C ATOM 1673 C PRO A 108 -10.800 -12.463 2.383 1.00 0.00 C ATOM 1674 O PRO A 108 -10.554 -13.476 1.730 1.00 0.00 O ATOM 1675 CB PRO A 108 -12.770 -11.962 3.911 1.00 0.00 C ATOM 1676 CG PRO A 108 -12.578 -10.613 4.585 1.00 0.00 C ATOM 1677 CD PRO A 108 -11.175 -10.579 5.170 1.00 0.00 C ATOM 0 HA PRO A 108 -11.412 -13.640 4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -13.230 -11.846 2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -13.429 -12.602 4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.711 -9.805 3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -13.322 -10.469 5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -10.611 -9.724 4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -11.201 -10.495 6.256 1.00 0.00 H new ATOM 1685 N SER A 109 -10.596 -11.226 1.954 1.00 0.00 N ATOM 1686 CA SER A 109 -10.047 -10.972 0.633 1.00 0.00 C ATOM 1687 C SER A 109 -10.995 -11.511 -0.440 1.00 0.00 C ATOM 1688 O SER A 109 -10.948 -12.693 -0.778 1.00 0.00 O ATOM 1689 CB SER A 109 -8.661 -11.603 0.482 1.00 0.00 C ATOM 1690 OG SER A 109 -8.144 -11.445 -0.836 1.00 0.00 O ATOM 0 H SER A 109 -10.801 -10.388 2.498 1.00 0.00 H new ATOM 0 HA SER A 109 -9.942 -9.894 0.508 1.00 0.00 H new ATOM 0 HB2 SER A 109 -7.976 -11.148 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.717 -12.664 0.725 1.00 0.00 H new ATOM 0 HG SER A 109 -7.258 -11.859 -0.892 1.00 0.00 H new ATOM 1696 N SER A 110 -11.834 -10.619 -0.945 1.00 0.00 N ATOM 1697 CA SER A 110 -12.792 -10.990 -1.972 1.00 0.00 C ATOM 1698 C SER A 110 -12.070 -11.659 -3.144 1.00 0.00 C ATOM 1699 O SER A 110 -12.364 -12.802 -3.488 1.00 0.00 O ATOM 1700 CB SER A 110 -13.578 -9.771 -2.459 1.00 0.00 C ATOM 1701 OG SER A 110 -14.972 -10.046 -2.573 1.00 0.00 O ATOM 0 H SER A 110 -11.870 -9.640 -0.662 1.00 0.00 H new ATOM 0 HA SER A 110 -13.501 -11.696 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 110 -13.427 -8.942 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.191 -9.453 -3.427 1.00 0.00 H new ATOM 0 HG SER A 110 -15.416 -9.303 -3.032 1.00 0.00 H new ATOM 1707 N GLY A 111 -11.139 -10.916 -3.725 1.00 0.00 N ATOM 1708 CA GLY A 111 -10.373 -11.422 -4.851 1.00 0.00 C ATOM 1709 C GLY A 111 -10.670 -10.621 -6.120 1.00 0.00 C ATOM 1710 O GLY A 111 -9.947 -9.681 -6.448 1.00 0.00 O ATOM 0 H GLY A 111 -10.898 -9.968 -3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.308 -11.369 -4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.612 -12.473 -5.015 1.00 0.00 H new TER 1714 GLY A 111