USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 808 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 60 ASN : amide:sc=-0.00208 K(o=-0.094,f=-7.6!) USER MOD Set 1.2: A 63 THR OG1 : rot -154:sc= -0.0916 USER MOD Set 2.1: A 29 CYS SG : rot -179:sc= 0.056 USER MOD Set 2.2: A 32 CYS SG : rot 74:sc= -0.265 USER MOD Set 3.1: A 7 THR OG1 : rot 120:sc= 1.27 USER MOD Set 3.2: A 9 GLN : amide:sc= 0.813 K(o=2.1,f=-2.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.00539 (180deg=-0.0111) USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= 0.555 (180deg=0.408) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -82:sc= 0.25 USER MOD Single : A 16 SER OG : rot -107:sc= 1.28 USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 0.908 (180deg=0.792) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD Single : A 46 MET CE :methyl 178:sc= -0.0923 (180deg=-0.101) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 3.69 (180deg=3.6) USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.2) USER MOD Single : A 61 GLN : amide:sc= -1.93! C(o=-1.9!,f=-2.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 67 TYR OH : rot -146:sc= 0.323 USER MOD Single : A 70 MET CE :methyl -159:sc= -0.057 (180deg=-0.157) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 100:sc= 1.26 USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= 1.9 (180deg=1.27) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 6:sc= 0.412 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 164:sc= 2.37 (180deg=1.74) USER MOD Single : A 97 GLN : amide:sc= 0.387 K(o=0.39,f=-0.46) USER MOD Single : A 101 ASN : amide:sc= 0.0443 X(o=0.044,f=0) USER MOD Single : A 102 LYS NZ :NH3+ -174:sc= 0.961 (180deg=0.932) USER MOD Single : A 103 HIS : no HE2:sc= -0.0294 X(o=-0.029,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.182 -0.276 0.224 1.00 0.00 N ATOM 2 CA MET A 1 2.033 -0.428 -1.245 1.00 0.00 C ATOM 3 C MET A 1 2.069 -1.913 -1.618 1.00 0.00 C ATOM 4 O MET A 1 3.136 -2.480 -1.873 1.00 0.00 O ATOM 5 CB MET A 1 3.076 0.395 -2.034 1.00 0.00 C ATOM 6 CG MET A 1 2.822 1.907 -1.953 1.00 0.00 C ATOM 7 SD MET A 1 4.019 2.913 -2.873 1.00 0.00 S ATOM 8 CE MET A 1 3.145 4.501 -2.855 1.00 0.00 C ATOM 0 H1 MET A 1 1.475 0.400 0.577 1.00 0.00 H new ATOM 0 H2 MET A 1 2.040 -1.198 0.685 1.00 0.00 H new ATOM 0 H3 MET A 1 3.136 0.076 0.442 1.00 0.00 H new ATOM 0 HA MET A 1 1.063 -0.022 -1.531 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.072 0.177 -1.648 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.063 0.084 -3.079 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.821 2.117 -2.331 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.837 2.211 -0.906 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.738 5.249 -3.381 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.180 4.391 -3.349 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.991 4.820 -1.824 1.00 0.00 H new ATOM 20 N ALA A 2 0.897 -2.555 -1.602 1.00 0.00 N ATOM 21 CA ALA A 2 0.650 -3.890 -2.129 1.00 0.00 C ATOM 22 C ALA A 2 -0.854 -3.994 -2.373 1.00 0.00 C ATOM 23 O ALA A 2 -1.655 -3.463 -1.597 1.00 0.00 O ATOM 24 CB ALA A 2 1.086 -4.974 -1.135 1.00 0.00 C ATOM 0 H ALA A 2 0.059 -2.134 -1.201 1.00 0.00 H new ATOM 0 HA ALA A 2 1.222 -4.043 -3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.888 -5.958 -1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.152 -4.874 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.528 -4.861 -0.205 1.00 0.00 H new ATOM 30 N ILE A 3 -1.230 -4.692 -3.440 1.00 0.00 N ATOM 31 CA ILE A 3 -2.621 -4.923 -3.798 1.00 0.00 C ATOM 32 C ILE A 3 -3.154 -6.032 -2.880 1.00 0.00 C ATOM 33 O ILE A 3 -2.421 -6.956 -2.509 1.00 0.00 O ATOM 34 CB ILE A 3 -2.693 -5.256 -5.306 1.00 0.00 C ATOM 35 CG1 ILE A 3 -2.177 -4.032 -6.105 1.00 0.00 C ATOM 36 CG2 ILE A 3 -4.116 -5.655 -5.748 1.00 0.00 C ATOM 37 CD1 ILE A 3 -2.063 -4.261 -7.608 1.00 0.00 C ATOM 0 H ILE A 3 -0.567 -5.118 -4.087 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.253 -4.047 -3.650 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.063 -6.122 -5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.846 -3.190 -5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.198 -3.748 -5.718 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.116 -5.880 -6.815 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.436 -6.536 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.803 -4.832 -5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.695 -3.354 -8.087 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.369 -5.080 -7.800 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.043 -4.513 -8.013 1.00 0.00 H new ATOM 49 N VAL A 4 -4.437 -5.956 -2.537 1.00 0.00 N ATOM 50 CA VAL A 4 -5.107 -6.836 -1.589 1.00 0.00 C ATOM 51 C VAL A 4 -6.078 -7.711 -2.393 1.00 0.00 C ATOM 52 O VAL A 4 -6.353 -7.446 -3.566 1.00 0.00 O ATOM 53 CB VAL A 4 -5.771 -5.969 -0.488 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.405 -6.787 0.650 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.760 -4.998 0.152 1.00 0.00 C ATOM 0 H VAL A 4 -5.062 -5.251 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.427 -7.507 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.560 -5.428 -1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.849 -6.111 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.178 -7.439 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.638 -7.392 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.259 -4.406 0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.946 -5.565 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.358 -4.334 -0.614 1.00 0.00 H new ATOM 65 N LYS A 5 -6.576 -8.787 -1.793 1.00 0.00 N ATOM 66 CA LYS A 5 -7.498 -9.736 -2.407 1.00 0.00 C ATOM 67 C LYS A 5 -8.581 -9.998 -1.368 1.00 0.00 C ATOM 68 O LYS A 5 -8.245 -10.188 -0.197 1.00 0.00 O ATOM 69 CB LYS A 5 -6.771 -11.049 -2.769 1.00 0.00 C ATOM 70 CG LYS A 5 -5.848 -10.968 -4.003 1.00 0.00 C ATOM 71 CD LYS A 5 -4.340 -11.110 -3.730 1.00 0.00 C ATOM 72 CE LYS A 5 -3.772 -9.849 -3.066 1.00 0.00 C ATOM 73 NZ LYS A 5 -2.290 -9.840 -2.981 1.00 0.00 N ATOM 0 H LYS A 5 -6.340 -9.031 -0.831 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.916 -9.340 -3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.178 -11.366 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.518 -11.823 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.145 -11.747 -4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.019 -10.012 -4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.164 -11.973 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.815 -11.298 -4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.101 -8.974 -3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.186 -9.759 -2.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.959 -8.871 -2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.983 -10.463 -2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.889 -10.179 -3.879 1.00 0.00 H new ATOM 87 N ALA A 6 -9.852 -9.995 -1.771 1.00 0.00 N ATOM 88 CA ALA A 6 -10.965 -10.272 -0.868 1.00 0.00 C ATOM 89 C ALA A 6 -12.104 -10.993 -1.594 1.00 0.00 C ATOM 90 O ALA A 6 -12.097 -11.105 -2.822 1.00 0.00 O ATOM 91 CB ALA A 6 -11.462 -8.965 -0.238 1.00 0.00 C ATOM 0 H ALA A 6 -10.137 -9.801 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.611 -10.934 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.293 -9.178 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.651 -8.500 0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.796 -8.287 -1.023 1.00 0.00 H new ATOM 97 N THR A 7 -13.089 -11.461 -0.826 1.00 0.00 N ATOM 98 CA THR A 7 -14.272 -12.163 -1.305 1.00 0.00 C ATOM 99 C THR A 7 -15.491 -11.624 -0.538 1.00 0.00 C ATOM 100 O THR A 7 -15.303 -10.851 0.402 1.00 0.00 O ATOM 101 CB THR A 7 -14.079 -13.685 -1.122 1.00 0.00 C ATOM 102 OG1 THR A 7 -13.849 -14.012 0.233 1.00 0.00 O ATOM 103 CG2 THR A 7 -12.892 -14.242 -1.917 1.00 0.00 C ATOM 0 H THR A 7 -13.080 -11.355 0.188 1.00 0.00 H new ATOM 0 HA THR A 7 -14.434 -11.991 -2.369 1.00 0.00 H new ATOM 0 HB THR A 7 -15.004 -14.130 -1.489 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.552 -14.619 0.547 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.811 -15.315 -1.746 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.046 -14.055 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.974 -13.752 -1.592 1.00 0.00 H new ATOM 111 N ASP A 8 -16.724 -12.028 -0.871 1.00 0.00 N ATOM 112 CA ASP A 8 -17.959 -11.570 -0.203 1.00 0.00 C ATOM 113 C ASP A 8 -17.868 -11.616 1.330 1.00 0.00 C ATOM 114 O ASP A 8 -18.432 -10.767 2.022 1.00 0.00 O ATOM 115 CB ASP A 8 -19.161 -12.431 -0.625 1.00 0.00 C ATOM 116 CG ASP A 8 -20.464 -11.903 0.004 1.00 0.00 C ATOM 117 OD1 ASP A 8 -20.927 -10.799 -0.365 1.00 0.00 O ATOM 118 OD2 ASP A 8 -21.043 -12.612 0.858 1.00 0.00 O ATOM 0 H ASP A 8 -16.899 -12.693 -1.624 1.00 0.00 H new ATOM 0 HA ASP A 8 -18.090 -10.534 -0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.251 -12.430 -1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -18.998 -13.465 -0.320 1.00 0.00 H new ATOM 123 N GLN A 9 -17.129 -12.598 1.849 1.00 0.00 N ATOM 124 CA GLN A 9 -16.917 -12.841 3.266 1.00 0.00 C ATOM 125 C GLN A 9 -16.222 -11.668 3.976 1.00 0.00 C ATOM 126 O GLN A 9 -16.533 -11.417 5.144 1.00 0.00 O ATOM 127 CB GLN A 9 -16.096 -14.134 3.445 1.00 0.00 C ATOM 128 CG GLN A 9 -16.842 -15.424 3.039 1.00 0.00 C ATOM 129 CD GLN A 9 -17.036 -15.605 1.528 1.00 0.00 C ATOM 130 OE1 GLN A 9 -16.249 -15.116 0.723 1.00 0.00 O ATOM 131 NE2 GLN A 9 -18.091 -16.278 1.100 1.00 0.00 N ATOM 0 H GLN A 9 -16.642 -13.274 1.260 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.897 -12.948 3.730 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.183 -14.055 2.854 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -15.794 -14.217 4.489 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.293 -16.282 3.426 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.820 -15.428 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.744 -16.684 1.771 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.252 -16.392 0.099 1.00 0.00 H new ATOM 140 N SER A 10 -15.318 -10.948 3.299 1.00 0.00 N ATOM 141 CA SER A 10 -14.447 -9.958 3.950 1.00 0.00 C ATOM 142 C SER A 10 -14.176 -8.700 3.120 1.00 0.00 C ATOM 143 O SER A 10 -13.535 -7.776 3.618 1.00 0.00 O ATOM 144 CB SER A 10 -13.116 -10.623 4.343 1.00 0.00 C ATOM 145 OG SER A 10 -13.311 -11.839 5.056 1.00 0.00 O ATOM 0 H SER A 10 -15.170 -11.033 2.293 1.00 0.00 H new ATOM 0 HA SER A 10 -14.990 -9.615 4.831 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.532 -10.821 3.444 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.535 -9.934 4.956 1.00 0.00 H new ATOM 0 HG SER A 10 -12.441 -12.228 5.284 1.00 0.00 H new ATOM 151 N PHE A 11 -14.696 -8.606 1.895 1.00 0.00 N ATOM 152 CA PHE A 11 -14.595 -7.419 1.053 1.00 0.00 C ATOM 153 C PHE A 11 -15.083 -6.188 1.818 1.00 0.00 C ATOM 154 O PHE A 11 -14.414 -5.157 1.803 1.00 0.00 O ATOM 155 CB PHE A 11 -15.402 -7.670 -0.229 1.00 0.00 C ATOM 156 CG PHE A 11 -15.400 -6.544 -1.240 1.00 0.00 C ATOM 157 CD1 PHE A 11 -14.344 -6.433 -2.165 1.00 0.00 C ATOM 158 CD2 PHE A 11 -16.480 -5.641 -1.301 1.00 0.00 C ATOM 159 CE1 PHE A 11 -14.372 -5.436 -3.155 1.00 0.00 C ATOM 160 CE2 PHE A 11 -16.505 -4.644 -2.291 1.00 0.00 C ATOM 161 CZ PHE A 11 -15.460 -4.546 -3.222 1.00 0.00 C ATOM 0 H PHE A 11 -15.209 -9.370 1.454 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.559 -7.224 0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -15.012 -8.567 -0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.434 -7.881 0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.509 -7.117 -2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -17.288 -5.715 -0.588 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.560 -5.353 -3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.332 -3.951 -2.335 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.491 -3.787 -3.990 1.00 0.00 H new ATOM 171 N SER A 12 -16.177 -6.326 2.571 1.00 0.00 N ATOM 172 CA SER A 12 -16.778 -5.235 3.325 1.00 0.00 C ATOM 173 C SER A 12 -15.865 -4.727 4.448 1.00 0.00 C ATOM 174 O SER A 12 -15.951 -3.560 4.831 1.00 0.00 O ATOM 175 CB SER A 12 -18.123 -5.701 3.893 1.00 0.00 C ATOM 176 OG SER A 12 -18.884 -6.380 2.901 1.00 0.00 O ATOM 0 H SER A 12 -16.673 -7.212 2.672 1.00 0.00 H new ATOM 0 HA SER A 12 -16.929 -4.396 2.646 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.954 -6.362 4.743 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.683 -4.842 4.263 1.00 0.00 H new ATOM 0 HG SER A 12 -19.738 -6.670 3.285 1.00 0.00 H new ATOM 182 N ALA A 13 -14.989 -5.585 4.986 1.00 0.00 N ATOM 183 CA ALA A 13 -14.020 -5.218 6.006 1.00 0.00 C ATOM 184 C ALA A 13 -12.822 -4.489 5.391 1.00 0.00 C ATOM 185 O ALA A 13 -12.166 -3.697 6.066 1.00 0.00 O ATOM 186 CB ALA A 13 -13.541 -6.475 6.741 1.00 0.00 C ATOM 0 H ALA A 13 -14.939 -6.567 4.715 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.505 -4.543 6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.815 -6.196 7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.392 -6.967 7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.075 -7.157 6.030 1.00 0.00 H new ATOM 192 N GLU A 14 -12.511 -4.763 4.121 1.00 0.00 N ATOM 193 CA GLU A 14 -11.399 -4.139 3.426 1.00 0.00 C ATOM 194 C GLU A 14 -11.782 -2.761 2.903 1.00 0.00 C ATOM 195 O GLU A 14 -10.980 -1.833 3.009 1.00 0.00 O ATOM 196 CB GLU A 14 -10.902 -5.028 2.276 1.00 0.00 C ATOM 197 CG GLU A 14 -10.216 -6.297 2.797 1.00 0.00 C ATOM 198 CD GLU A 14 -8.928 -6.038 3.607 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.348 -4.932 3.512 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.495 -6.949 4.348 1.00 0.00 O ATOM 0 H GLU A 14 -13.031 -5.429 3.549 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.588 -4.018 4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.743 -5.304 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.204 -4.465 1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.920 -6.845 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.975 -6.939 1.950 1.00 0.00 H new ATOM 207 N THR A 15 -12.990 -2.601 2.362 1.00 0.00 N ATOM 208 CA THR A 15 -13.427 -1.363 1.734 1.00 0.00 C ATOM 209 C THR A 15 -13.758 -0.260 2.752 1.00 0.00 C ATOM 210 O THR A 15 -14.059 0.867 2.357 1.00 0.00 O ATOM 211 CB THR A 15 -14.593 -1.664 0.781 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.618 -2.369 1.456 1.00 0.00 O ATOM 213 CG2 THR A 15 -14.098 -2.495 -0.414 1.00 0.00 C ATOM 0 H THR A 15 -13.696 -3.337 2.350 1.00 0.00 H new ATOM 0 HA THR A 15 -12.598 -0.959 1.153 1.00 0.00 H new ATOM 0 HB THR A 15 -14.994 -0.717 0.421 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.392 -3.322 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.933 -2.703 -1.083 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.331 -1.938 -0.952 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.678 -3.435 -0.055 1.00 0.00 H new ATOM 221 N SER A 16 -13.675 -0.553 4.054 1.00 0.00 N ATOM 222 CA SER A 16 -14.166 0.299 5.131 1.00 0.00 C ATOM 223 C SER A 16 -13.037 0.951 5.937 1.00 0.00 C ATOM 224 O SER A 16 -13.196 1.243 7.123 1.00 0.00 O ATOM 225 CB SER A 16 -15.178 -0.503 5.960 1.00 0.00 C ATOM 226 OG SER A 16 -14.680 -1.776 6.321 1.00 0.00 O ATOM 0 H SER A 16 -13.251 -1.417 4.393 1.00 0.00 H new ATOM 0 HA SER A 16 -14.689 1.161 4.717 1.00 0.00 H new ATOM 0 HB2 SER A 16 -15.431 0.055 6.861 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.099 -0.623 5.390 1.00 0.00 H new ATOM 0 HG SER A 16 -15.129 -2.466 5.789 1.00 0.00 H new ATOM 232 N GLU A 17 -11.896 1.195 5.284 1.00 0.00 N ATOM 233 CA GLU A 17 -10.695 1.727 5.936 1.00 0.00 C ATOM 234 C GLU A 17 -10.069 2.918 5.194 1.00 0.00 C ATOM 235 O GLU A 17 -9.055 3.452 5.650 1.00 0.00 O ATOM 236 CB GLU A 17 -9.657 0.603 6.116 1.00 0.00 C ATOM 237 CG GLU A 17 -10.162 -0.587 6.946 1.00 0.00 C ATOM 238 CD GLU A 17 -9.021 -1.562 7.288 1.00 0.00 C ATOM 239 OE1 GLU A 17 -8.252 -1.944 6.376 1.00 0.00 O ATOM 240 OE2 GLU A 17 -8.884 -1.952 8.471 1.00 0.00 O ATOM 0 H GLU A 17 -11.779 1.028 4.285 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.009 2.107 6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.352 0.244 5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.769 1.016 6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.618 -0.222 7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.939 -1.114 6.392 1.00 0.00 H new ATOM 247 N GLY A 18 -10.634 3.352 4.064 1.00 0.00 N ATOM 248 CA GLY A 18 -10.030 4.391 3.237 1.00 0.00 C ATOM 249 C GLY A 18 -10.690 4.446 1.871 1.00 0.00 C ATOM 250 O GLY A 18 -11.772 3.883 1.697 1.00 0.00 O ATOM 0 H GLY A 18 -11.517 2.993 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.127 5.358 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.964 4.197 3.123 1.00 0.00 H new ATOM 254 N VAL A 19 -10.071 5.145 0.918 1.00 0.00 N ATOM 255 CA VAL A 19 -10.457 5.031 -0.485 1.00 0.00 C ATOM 256 C VAL A 19 -9.952 3.656 -0.919 1.00 0.00 C ATOM 257 O VAL A 19 -8.797 3.308 -0.651 1.00 0.00 O ATOM 258 CB VAL A 19 -9.845 6.165 -1.336 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.216 6.035 -2.824 1.00 0.00 C ATOM 260 CG2 VAL A 19 -10.344 7.531 -0.857 1.00 0.00 C ATOM 0 H VAL A 19 -9.303 5.793 1.094 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.534 5.126 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.764 6.083 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.764 6.853 -3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.847 5.084 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.300 6.075 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.901 8.316 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.430 7.573 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.057 7.678 0.184 1.00 0.00 H new ATOM 270 N VAL A 20 -10.794 2.870 -1.582 1.00 0.00 N ATOM 271 CA VAL A 20 -10.471 1.514 -1.978 1.00 0.00 C ATOM 272 C VAL A 20 -10.940 1.334 -3.416 1.00 0.00 C ATOM 273 O VAL A 20 -12.126 1.474 -3.713 1.00 0.00 O ATOM 274 CB VAL A 20 -11.077 0.497 -0.986 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.616 -0.917 -1.348 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.664 0.804 0.468 1.00 0.00 C ATOM 0 H VAL A 20 -11.730 3.165 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.397 1.329 -1.945 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.162 0.572 -1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.046 -1.631 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.945 -1.159 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.528 -0.969 -1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.110 0.067 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.578 0.762 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.012 1.800 0.742 1.00 0.00 H new ATOM 286 N LEU A 21 -9.997 1.059 -4.314 1.00 0.00 N ATOM 287 CA LEU A 21 -10.260 0.723 -5.701 1.00 0.00 C ATOM 288 C LEU A 21 -10.445 -0.789 -5.764 1.00 0.00 C ATOM 289 O LEU A 21 -9.469 -1.542 -5.758 1.00 0.00 O ATOM 290 CB LEU A 21 -9.078 1.180 -6.567 1.00 0.00 C ATOM 291 CG LEU A 21 -9.206 0.822 -8.058 1.00 0.00 C ATOM 292 CD1 LEU A 21 -10.380 1.553 -8.717 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.908 1.207 -8.772 1.00 0.00 C ATOM 0 H LEU A 21 -9.003 1.065 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.153 1.221 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.971 2.261 -6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.163 0.734 -6.176 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.390 -0.249 -8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.438 1.274 -9.769 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.308 1.276 -8.217 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.231 2.630 -8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.987 0.958 -9.830 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.737 2.278 -8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.074 0.660 -8.332 1.00 0.00 H new ATOM 305 N ALA A 22 -11.688 -1.247 -5.764 1.00 0.00 N ATOM 306 CA ALA A 22 -11.969 -2.639 -6.048 1.00 0.00 C ATOM 307 C ALA A 22 -11.842 -2.867 -7.552 1.00 0.00 C ATOM 308 O ALA A 22 -12.161 -1.984 -8.351 1.00 0.00 O ATOM 309 CB ALA A 22 -13.369 -2.990 -5.560 1.00 0.00 C ATOM 0 H ALA A 22 -12.511 -0.676 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.259 -3.283 -5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.577 -4.038 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.433 -2.821 -4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.100 -2.363 -6.070 1.00 0.00 H new ATOM 315 N ASP A 23 -11.444 -4.076 -7.927 1.00 0.00 N ATOM 316 CA ASP A 23 -11.350 -4.535 -9.304 1.00 0.00 C ATOM 317 C ASP A 23 -12.000 -5.911 -9.363 1.00 0.00 C ATOM 318 O ASP A 23 -11.426 -6.921 -8.938 1.00 0.00 O ATOM 319 CB ASP A 23 -9.898 -4.562 -9.785 1.00 0.00 C ATOM 320 CG ASP A 23 -9.776 -5.221 -11.168 1.00 0.00 C ATOM 321 OD1 ASP A 23 -10.650 -4.992 -12.034 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.772 -5.935 -11.390 1.00 0.00 O ATOM 0 H ASP A 23 -11.168 -4.790 -7.253 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.868 -3.850 -9.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.509 -3.545 -9.830 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.285 -5.106 -9.066 1.00 0.00 H new ATOM 327 N PHE A 24 -13.259 -5.905 -9.797 1.00 0.00 N ATOM 328 CA PHE A 24 -14.033 -7.091 -10.094 1.00 0.00 C ATOM 329 C PHE A 24 -13.480 -7.629 -11.408 1.00 0.00 C ATOM 330 O PHE A 24 -13.573 -6.951 -12.437 1.00 0.00 O ATOM 331 CB PHE A 24 -15.526 -6.736 -10.177 1.00 0.00 C ATOM 332 CG PHE A 24 -16.123 -6.328 -8.840 1.00 0.00 C ATOM 333 CD1 PHE A 24 -15.946 -5.019 -8.349 1.00 0.00 C ATOM 334 CD2 PHE A 24 -16.802 -7.277 -8.050 1.00 0.00 C ATOM 335 CE1 PHE A 24 -16.410 -4.678 -7.068 1.00 0.00 C ATOM 336 CE2 PHE A 24 -17.277 -6.930 -6.774 1.00 0.00 C ATOM 337 CZ PHE A 24 -17.070 -5.633 -6.278 1.00 0.00 C ATOM 0 H PHE A 24 -13.778 -5.041 -9.954 1.00 0.00 H new ATOM 0 HA PHE A 24 -13.953 -7.852 -9.318 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.660 -5.922 -10.890 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -16.075 -7.594 -10.565 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.453 -4.277 -8.959 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -16.958 -8.277 -8.427 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -16.259 -3.678 -6.689 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.801 -7.660 -6.175 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.418 -5.370 -5.290 1.00 0.00 H new ATOM 347 N TRP A 25 -12.880 -8.820 -11.370 1.00 0.00 N ATOM 348 CA TRP A 25 -12.111 -9.371 -12.483 1.00 0.00 C ATOM 349 C TRP A 25 -12.415 -10.857 -12.668 1.00 0.00 C ATOM 350 O TRP A 25 -13.139 -11.444 -11.862 1.00 0.00 O ATOM 351 CB TRP A 25 -10.611 -9.126 -12.250 1.00 0.00 C ATOM 352 CG TRP A 25 -9.939 -10.033 -11.262 1.00 0.00 C ATOM 353 CD1 TRP A 25 -10.154 -10.030 -9.931 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.959 -11.093 -11.498 1.00 0.00 C ATOM 355 NE1 TRP A 25 -9.426 -11.034 -9.331 1.00 0.00 N ATOM 356 CE2 TRP A 25 -8.652 -11.711 -10.248 1.00 0.00 C ATOM 357 CE3 TRP A 25 -8.287 -11.589 -12.637 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.733 -12.765 -10.134 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -7.351 -12.637 -12.531 1.00 0.00 C ATOM 360 CH2 TRP A 25 -7.079 -13.231 -11.286 1.00 0.00 C ATOM 0 H TRP A 25 -12.916 -9.434 -10.556 1.00 0.00 H new ATOM 0 HA TRP A 25 -12.402 -8.865 -13.403 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -10.096 -9.219 -13.206 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.480 -8.097 -11.915 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.803 -9.341 -9.411 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.456 -11.249 -8.334 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.494 -11.158 -13.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.531 -13.212 -9.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.838 -12.987 -13.414 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.370 -14.043 -11.216 1.00 0.00 H new ATOM 371 N ALA A 26 -11.856 -11.467 -13.718 1.00 0.00 N ATOM 372 CA ALA A 26 -11.847 -12.909 -13.928 1.00 0.00 C ATOM 373 C ALA A 26 -10.604 -13.258 -14.759 1.00 0.00 C ATOM 374 O ALA A 26 -10.217 -12.458 -15.616 1.00 0.00 O ATOM 375 CB ALA A 26 -13.118 -13.348 -14.663 1.00 0.00 C ATOM 0 H ALA A 26 -11.386 -10.953 -14.463 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.819 -13.429 -12.970 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.097 -14.427 -14.813 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.992 -13.081 -14.069 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.170 -12.848 -15.630 1.00 0.00 H new ATOM 381 N PRO A 27 -9.982 -14.433 -14.563 1.00 0.00 N ATOM 382 CA PRO A 27 -8.694 -14.758 -15.172 1.00 0.00 C ATOM 383 C PRO A 27 -8.792 -15.073 -16.668 1.00 0.00 C ATOM 384 O PRO A 27 -7.791 -14.970 -17.380 1.00 0.00 O ATOM 385 CB PRO A 27 -8.169 -15.959 -14.378 1.00 0.00 C ATOM 386 CG PRO A 27 -9.443 -16.657 -13.901 1.00 0.00 C ATOM 387 CD PRO A 27 -10.407 -15.494 -13.663 1.00 0.00 C ATOM 0 HA PRO A 27 -8.021 -13.902 -15.125 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.560 -16.616 -15.000 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.546 -15.645 -13.541 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.826 -17.352 -14.649 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.271 -17.231 -12.991 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.436 -15.791 -13.868 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.371 -15.163 -12.625 1.00 0.00 H new ATOM 395 N TRP A 28 -9.973 -15.443 -17.169 1.00 0.00 N ATOM 396 CA TRP A 28 -10.181 -15.731 -18.584 1.00 0.00 C ATOM 397 C TRP A 28 -10.418 -14.453 -19.404 1.00 0.00 C ATOM 398 O TRP A 28 -10.458 -14.522 -20.634 1.00 0.00 O ATOM 399 CB TRP A 28 -11.328 -16.746 -18.727 1.00 0.00 C ATOM 400 CG TRP A 28 -12.558 -16.543 -17.886 1.00 0.00 C ATOM 401 CD1 TRP A 28 -13.211 -15.376 -17.684 1.00 0.00 C ATOM 402 CD2 TRP A 28 -13.306 -17.543 -17.124 1.00 0.00 C ATOM 403 NE1 TRP A 28 -14.317 -15.587 -16.887 1.00 0.00 N ATOM 404 CE2 TRP A 28 -14.417 -16.904 -16.495 1.00 0.00 C ATOM 405 CE3 TRP A 28 -13.157 -18.929 -16.900 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -15.327 -17.601 -15.685 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -14.065 -19.640 -16.090 1.00 0.00 C ATOM 408 CH2 TRP A 28 -15.147 -18.979 -15.483 1.00 0.00 C ATOM 0 H TRP A 28 -10.813 -15.551 -16.600 1.00 0.00 H new ATOM 0 HA TRP A 28 -9.274 -16.173 -18.995 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.636 -16.757 -19.772 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -10.929 -17.735 -18.502 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.911 -14.420 -18.087 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -14.979 -14.858 -16.621 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.332 -19.454 -17.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -16.155 -17.084 -15.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -13.929 -20.700 -15.935 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.838 -19.530 -14.863 1.00 0.00 H new ATOM 419 N CYS A 29 -10.576 -13.291 -18.755 1.00 0.00 N ATOM 420 CA CYS A 29 -10.817 -12.029 -19.437 1.00 0.00 C ATOM 421 C CYS A 29 -9.458 -11.382 -19.722 1.00 0.00 C ATOM 422 O CYS A 29 -8.694 -11.112 -18.792 1.00 0.00 O ATOM 423 CB CYS A 29 -11.716 -11.152 -18.557 1.00 0.00 C ATOM 424 SG CYS A 29 -12.115 -9.602 -19.417 1.00 0.00 S ATOM 0 H CYS A 29 -10.539 -13.208 -17.739 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.334 -12.169 -20.386 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.633 -11.688 -18.314 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.214 -10.935 -17.614 1.00 0.00 H new ATOM 0 HG CYS A 29 -12.861 -8.861 -18.652 1.00 0.00 H new ATOM 430 N GLY A 30 -9.153 -11.131 -20.997 1.00 0.00 N ATOM 431 CA GLY A 30 -7.912 -10.490 -21.424 1.00 0.00 C ATOM 432 C GLY A 30 -7.718 -9.119 -20.771 1.00 0.00 C ATOM 433 O GLY A 30 -6.733 -8.939 -20.056 1.00 0.00 O ATOM 0 H GLY A 30 -9.772 -11.372 -21.771 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.068 -11.133 -21.174 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.917 -10.377 -22.508 1.00 0.00 H new ATOM 437 N PRO A 31 -8.647 -8.158 -20.940 1.00 0.00 N ATOM 438 CA PRO A 31 -8.568 -6.841 -20.314 1.00 0.00 C ATOM 439 C PRO A 31 -8.305 -6.849 -18.801 1.00 0.00 C ATOM 440 O PRO A 31 -7.564 -5.990 -18.322 1.00 0.00 O ATOM 441 CB PRO A 31 -9.880 -6.144 -20.677 1.00 0.00 C ATOM 442 CG PRO A 31 -10.210 -6.734 -22.045 1.00 0.00 C ATOM 443 CD PRO A 31 -9.727 -8.179 -21.920 1.00 0.00 C ATOM 0 HA PRO A 31 -7.694 -6.309 -20.690 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.663 -6.351 -19.948 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.764 -5.061 -20.721 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.277 -6.682 -22.260 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.697 -6.205 -22.848 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.536 -8.834 -21.596 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.376 -8.557 -22.880 1.00 0.00 H new ATOM 451 N CYS A 32 -8.833 -7.823 -18.045 1.00 0.00 N ATOM 452 CA CYS A 32 -8.538 -7.954 -16.612 1.00 0.00 C ATOM 453 C CYS A 32 -7.044 -8.172 -16.343 1.00 0.00 C ATOM 454 O CYS A 32 -6.530 -7.725 -15.317 1.00 0.00 O ATOM 455 CB CYS A 32 -9.306 -9.131 -15.998 1.00 0.00 C ATOM 456 SG CYS A 32 -11.086 -8.795 -15.931 1.00 0.00 S ATOM 0 H CYS A 32 -9.469 -8.534 -18.405 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.850 -7.015 -16.154 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.126 -10.031 -16.585 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.933 -9.326 -14.993 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.590 -8.885 -17.126 1.00 0.00 H new ATOM 462 N LYS A 33 -6.341 -8.860 -17.243 1.00 0.00 N ATOM 463 CA LYS A 33 -4.903 -9.077 -17.132 1.00 0.00 C ATOM 464 C LYS A 33 -4.151 -7.887 -17.720 1.00 0.00 C ATOM 465 O LYS A 33 -3.131 -7.493 -17.163 1.00 0.00 O ATOM 466 CB LYS A 33 -4.526 -10.403 -17.810 1.00 0.00 C ATOM 467 CG LYS A 33 -5.119 -11.588 -17.021 1.00 0.00 C ATOM 468 CD LYS A 33 -4.937 -12.948 -17.704 1.00 0.00 C ATOM 469 CE LYS A 33 -5.751 -13.034 -19.005 1.00 0.00 C ATOM 470 NZ LYS A 33 -5.928 -14.436 -19.450 1.00 0.00 N ATOM 0 H LYS A 33 -6.757 -9.283 -18.072 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.615 -9.153 -16.083 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.898 -10.415 -18.834 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.441 -10.498 -17.864 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.655 -11.623 -16.036 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.183 -11.411 -16.866 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.881 -13.109 -17.922 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.247 -13.742 -17.025 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.728 -12.574 -18.854 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.248 -12.465 -19.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.298 -14.448 -20.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.012 -14.927 -19.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.598 -14.919 -18.818 1.00 0.00 H new ATOM 484 N MET A 34 -4.665 -7.250 -18.779 1.00 0.00 N ATOM 485 CA MET A 34 -4.041 -6.057 -19.353 1.00 0.00 C ATOM 486 C MET A 34 -4.024 -4.896 -18.357 1.00 0.00 C ATOM 487 O MET A 34 -3.062 -4.130 -18.337 1.00 0.00 O ATOM 488 CB MET A 34 -4.749 -5.620 -20.644 1.00 0.00 C ATOM 489 CG MET A 34 -4.680 -6.682 -21.746 1.00 0.00 C ATOM 490 SD MET A 34 -3.012 -7.036 -22.368 1.00 0.00 S ATOM 491 CE MET A 34 -3.413 -8.346 -23.557 1.00 0.00 C ATOM 0 H MET A 34 -5.517 -7.545 -19.256 1.00 0.00 H new ATOM 0 HA MET A 34 -3.012 -6.325 -19.591 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.793 -5.399 -20.424 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.297 -4.697 -21.006 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.113 -7.607 -21.366 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.302 -6.358 -22.581 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.499 -8.690 -24.042 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.883 -9.180 -23.035 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.098 -7.957 -24.310 1.00 0.00 H new ATOM 501 N ILE A 35 -5.054 -4.758 -17.511 1.00 0.00 N ATOM 502 CA ILE A 35 -5.100 -3.702 -16.499 1.00 0.00 C ATOM 503 C ILE A 35 -4.279 -4.075 -15.250 1.00 0.00 C ATOM 504 O ILE A 35 -4.080 -3.225 -14.384 1.00 0.00 O ATOM 505 CB ILE A 35 -6.573 -3.305 -16.218 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.659 -1.862 -15.673 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.305 -4.316 -15.322 1.00 0.00 C ATOM 508 CD1 ILE A 35 -8.092 -1.340 -15.518 1.00 0.00 C ATOM 0 H ILE A 35 -5.870 -5.370 -17.511 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.612 -2.805 -16.880 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.100 -3.330 -17.172 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.161 -1.820 -14.704 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.112 -1.198 -16.342 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.331 -3.984 -15.161 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.312 -5.293 -15.806 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.793 -4.390 -14.363 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.068 -0.321 -15.131 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.589 -1.348 -16.488 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.639 -1.979 -14.825 1.00 0.00 H new ATOM 520 N ALA A 36 -3.768 -5.308 -15.127 1.00 0.00 N ATOM 521 CA ALA A 36 -2.953 -5.696 -13.975 1.00 0.00 C ATOM 522 C ALA A 36 -1.701 -4.812 -13.814 1.00 0.00 C ATOM 523 O ALA A 36 -1.533 -4.258 -12.726 1.00 0.00 O ATOM 524 CB ALA A 36 -2.616 -7.192 -14.007 1.00 0.00 C ATOM 0 H ALA A 36 -3.906 -6.051 -15.812 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.555 -5.523 -13.083 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.010 -7.447 -13.138 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.538 -7.773 -13.990 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.060 -7.420 -14.916 1.00 0.00 H new ATOM 530 N PRO A 37 -0.854 -4.582 -14.841 1.00 0.00 N ATOM 531 CA PRO A 37 0.284 -3.678 -14.697 1.00 0.00 C ATOM 532 C PRO A 37 -0.152 -2.232 -14.432 1.00 0.00 C ATOM 533 O PRO A 37 0.528 -1.535 -13.682 1.00 0.00 O ATOM 534 CB PRO A 37 1.110 -3.814 -15.980 1.00 0.00 C ATOM 535 CG PRO A 37 0.120 -4.375 -16.999 1.00 0.00 C ATOM 536 CD PRO A 37 -0.793 -5.242 -16.137 1.00 0.00 C ATOM 0 HA PRO A 37 0.882 -3.946 -13.826 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.511 -2.852 -16.300 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.959 -4.482 -15.839 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.433 -3.583 -17.505 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.621 -4.958 -17.772 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.785 -5.327 -16.580 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.398 -6.254 -16.043 1.00 0.00 H new ATOM 544 N VAL A 38 -1.287 -1.783 -14.982 1.00 0.00 N ATOM 545 CA VAL A 38 -1.840 -0.467 -14.674 1.00 0.00 C ATOM 546 C VAL A 38 -2.118 -0.364 -13.170 1.00 0.00 C ATOM 547 O VAL A 38 -1.714 0.615 -12.542 1.00 0.00 O ATOM 548 CB VAL A 38 -3.088 -0.200 -15.546 1.00 0.00 C ATOM 549 CG1 VAL A 38 -3.959 0.939 -15.003 1.00 0.00 C ATOM 550 CG2 VAL A 38 -2.673 0.104 -16.994 1.00 0.00 C ATOM 0 H VAL A 38 -1.841 -2.321 -15.648 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.120 0.314 -14.917 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.690 -1.108 -15.518 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.820 1.081 -15.656 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.302 0.688 -13.999 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.375 1.859 -14.968 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.562 0.290 -17.596 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.032 0.986 -17.011 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.129 -0.748 -17.403 1.00 0.00 H new ATOM 560 N LEU A 39 -2.771 -1.369 -12.578 1.00 0.00 N ATOM 561 CA LEU A 39 -3.087 -1.375 -11.157 1.00 0.00 C ATOM 562 C LEU A 39 -1.810 -1.447 -10.322 1.00 0.00 C ATOM 563 O LEU A 39 -1.741 -0.795 -9.286 1.00 0.00 O ATOM 564 CB LEU A 39 -4.030 -2.543 -10.816 1.00 0.00 C ATOM 565 CG LEU A 39 -5.456 -2.354 -11.373 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.210 -3.684 -11.344 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.256 -1.317 -10.578 1.00 0.00 C ATOM 0 H LEU A 39 -3.093 -2.199 -13.076 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.599 -0.443 -10.915 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.611 -3.468 -11.213 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.082 -2.656 -9.733 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.353 -1.995 -12.397 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.216 -3.541 -11.739 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.681 -4.416 -11.955 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.271 -4.045 -10.317 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.253 -1.219 -11.008 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.339 -1.639 -9.540 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.747 -0.354 -10.620 1.00 0.00 H new ATOM 579 N GLU A 40 -0.791 -2.190 -10.760 1.00 0.00 N ATOM 580 CA GLU A 40 0.486 -2.252 -10.056 1.00 0.00 C ATOM 581 C GLU A 40 1.215 -0.907 -10.107 1.00 0.00 C ATOM 582 O GLU A 40 1.843 -0.516 -9.124 1.00 0.00 O ATOM 583 CB GLU A 40 1.369 -3.377 -10.617 1.00 0.00 C ATOM 584 CG GLU A 40 0.865 -4.765 -10.195 1.00 0.00 C ATOM 585 CD GLU A 40 1.785 -5.882 -10.720 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.758 -6.250 -10.023 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.536 -6.421 -11.822 1.00 0.00 O ATOM 0 H GLU A 40 -0.829 -2.760 -11.605 1.00 0.00 H new ATOM 0 HA GLU A 40 0.277 -2.476 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.390 -3.314 -11.705 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.393 -3.242 -10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.810 -4.818 -9.108 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.146 -4.917 -10.573 1.00 0.00 H new ATOM 594 N GLU A 41 1.152 -0.176 -11.218 1.00 0.00 N ATOM 595 CA GLU A 41 1.723 1.162 -11.311 1.00 0.00 C ATOM 596 C GLU A 41 0.942 2.137 -10.428 1.00 0.00 C ATOM 597 O GLU A 41 1.549 2.970 -9.758 1.00 0.00 O ATOM 598 CB GLU A 41 1.758 1.645 -12.768 1.00 0.00 C ATOM 599 CG GLU A 41 2.902 0.994 -13.557 1.00 0.00 C ATOM 600 CD GLU A 41 2.980 1.543 -14.994 1.00 0.00 C ATOM 601 OE1 GLU A 41 2.318 0.997 -15.904 1.00 0.00 O ATOM 602 OE2 GLU A 41 3.731 2.516 -15.233 1.00 0.00 O ATOM 0 H GLU A 41 0.704 -0.496 -12.077 1.00 0.00 H new ATOM 0 HA GLU A 41 2.751 1.122 -10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.808 1.416 -13.250 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.873 2.729 -12.789 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.847 1.175 -13.045 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.757 -0.086 -13.586 1.00 0.00 H new ATOM 609 N LEU A 42 -0.387 2.013 -10.379 1.00 0.00 N ATOM 610 CA LEU A 42 -1.218 2.834 -9.514 1.00 0.00 C ATOM 611 C LEU A 42 -0.865 2.548 -8.051 1.00 0.00 C ATOM 612 O LEU A 42 -0.689 3.474 -7.265 1.00 0.00 O ATOM 613 CB LEU A 42 -2.705 2.553 -9.813 1.00 0.00 C ATOM 614 CG LEU A 42 -3.693 3.697 -9.524 1.00 0.00 C ATOM 615 CD1 LEU A 42 -3.608 4.260 -8.110 1.00 0.00 C ATOM 616 CD2 LEU A 42 -3.536 4.843 -10.528 1.00 0.00 C ATOM 0 H LEU A 42 -0.910 1.340 -10.939 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.035 3.892 -9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.796 2.282 -10.865 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.011 1.683 -9.232 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.676 3.237 -9.628 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.338 5.061 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.818 3.469 -7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.607 4.653 -7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.250 5.633 -10.293 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.523 5.241 -10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.724 4.472 -11.536 1.00 0.00 H new ATOM 628 N ASP A 43 -0.689 1.278 -7.680 1.00 0.00 N ATOM 629 CA ASP A 43 -0.301 0.871 -6.333 1.00 0.00 C ATOM 630 C ASP A 43 1.066 1.455 -5.969 1.00 0.00 C ATOM 631 O ASP A 43 1.240 1.990 -4.878 1.00 0.00 O ATOM 632 CB ASP A 43 -0.259 -0.655 -6.222 1.00 0.00 C ATOM 633 CG ASP A 43 0.304 -1.089 -4.862 1.00 0.00 C ATOM 634 OD1 ASP A 43 -0.394 -0.914 -3.840 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.434 -1.625 -4.828 1.00 0.00 O ATOM 0 H ASP A 43 -0.815 0.493 -8.319 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.046 1.254 -5.636 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.262 -1.061 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.356 -1.065 -7.023 1.00 0.00 H new ATOM 640 N GLN A 44 2.020 1.432 -6.902 1.00 0.00 N ATOM 641 CA GLN A 44 3.352 1.993 -6.711 1.00 0.00 C ATOM 642 C GLN A 44 3.342 3.528 -6.598 1.00 0.00 C ATOM 643 O GLN A 44 4.348 4.110 -6.188 1.00 0.00 O ATOM 644 CB GLN A 44 4.255 1.528 -7.861 1.00 0.00 C ATOM 645 CG GLN A 44 4.724 0.080 -7.656 1.00 0.00 C ATOM 646 CD GLN A 44 5.392 -0.469 -8.915 1.00 0.00 C ATOM 647 OE1 GLN A 44 6.615 -0.486 -9.045 1.00 0.00 O ATOM 648 NE2 GLN A 44 4.598 -0.918 -9.872 1.00 0.00 N ATOM 0 H GLN A 44 1.883 1.016 -7.823 1.00 0.00 H new ATOM 0 HA GLN A 44 3.742 1.629 -5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.715 1.607 -8.804 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.121 2.186 -7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.424 0.037 -6.822 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.872 -0.546 -7.391 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.586 -0.896 -9.747 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.998 -1.286 -10.735 1.00 0.00 H new ATOM 657 N GLU A 45 2.237 4.192 -6.947 1.00 0.00 N ATOM 658 CA GLU A 45 2.111 5.644 -6.923 1.00 0.00 C ATOM 659 C GLU A 45 1.202 6.134 -5.791 1.00 0.00 C ATOM 660 O GLU A 45 1.444 7.214 -5.249 1.00 0.00 O ATOM 661 CB GLU A 45 1.572 6.124 -8.278 1.00 0.00 C ATOM 662 CG GLU A 45 2.682 6.151 -9.342 1.00 0.00 C ATOM 663 CD GLU A 45 2.220 6.657 -10.720 1.00 0.00 C ATOM 664 OE1 GLU A 45 1.187 7.355 -10.838 1.00 0.00 O ATOM 665 OE2 GLU A 45 2.925 6.399 -11.721 1.00 0.00 O ATOM 0 H GLU A 45 1.388 3.721 -7.260 1.00 0.00 H new ATOM 0 HA GLU A 45 3.100 6.063 -6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.767 5.466 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.145 7.121 -8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.495 6.785 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.088 5.146 -9.454 1.00 0.00 H new ATOM 672 N MET A 46 0.179 5.360 -5.414 1.00 0.00 N ATOM 673 CA MET A 46 -0.885 5.802 -4.512 1.00 0.00 C ATOM 674 C MET A 46 -1.312 4.723 -3.514 1.00 0.00 C ATOM 675 O MET A 46 -2.225 4.989 -2.736 1.00 0.00 O ATOM 676 CB MET A 46 -2.125 6.245 -5.314 1.00 0.00 C ATOM 677 CG MET A 46 -1.855 7.283 -6.404 1.00 0.00 C ATOM 678 SD MET A 46 -3.349 8.082 -7.052 1.00 0.00 S ATOM 679 CE MET A 46 -2.626 9.625 -7.668 1.00 0.00 C ATOM 0 H MET A 46 0.067 4.397 -5.732 1.00 0.00 H new ATOM 0 HA MET A 46 -0.471 6.638 -3.949 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.574 5.365 -5.775 1.00 0.00 H new ATOM 0 HB3 MET A 46 -2.861 6.652 -4.620 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.190 8.049 -6.005 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.328 6.801 -7.227 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.403 10.229 -8.136 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.187 10.178 -6.838 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.852 9.397 -8.401 1.00 0.00 H new ATOM 689 N GLY A 47 -0.688 3.538 -3.504 1.00 0.00 N ATOM 690 CA GLY A 47 -1.053 2.362 -2.701 1.00 0.00 C ATOM 691 C GLY A 47 -0.768 2.501 -1.202 1.00 0.00 C ATOM 692 O GLY A 47 -0.198 1.607 -0.578 1.00 0.00 O ATOM 0 H GLY A 47 0.130 3.364 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.115 2.160 -2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.512 1.496 -3.082 1.00 0.00 H new ATOM 696 N ASP A 48 -1.120 3.650 -0.641 1.00 0.00 N ATOM 697 CA ASP A 48 -1.138 4.012 0.767 1.00 0.00 C ATOM 698 C ASP A 48 -2.211 5.091 0.955 1.00 0.00 C ATOM 699 O ASP A 48 -2.997 5.035 1.900 1.00 0.00 O ATOM 700 CB ASP A 48 0.225 4.569 1.186 1.00 0.00 C ATOM 701 CG ASP A 48 0.177 5.094 2.630 1.00 0.00 C ATOM 702 OD1 ASP A 48 0.163 4.275 3.576 1.00 0.00 O ATOM 703 OD2 ASP A 48 0.171 6.330 2.828 1.00 0.00 O ATOM 0 H ASP A 48 -1.431 4.429 -1.221 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.355 3.136 1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.983 3.790 1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.518 5.373 0.511 1.00 0.00 H new ATOM 708 N LYS A 49 -2.295 6.032 0.000 1.00 0.00 N ATOM 709 CA LYS A 49 -3.379 7.003 -0.117 1.00 0.00 C ATOM 710 C LYS A 49 -4.709 6.291 -0.382 1.00 0.00 C ATOM 711 O LYS A 49 -5.741 6.713 0.142 1.00 0.00 O ATOM 712 CB LYS A 49 -3.082 8.004 -1.249 1.00 0.00 C ATOM 713 CG LYS A 49 -1.763 8.772 -1.061 1.00 0.00 C ATOM 714 CD LYS A 49 -1.534 9.767 -2.211 1.00 0.00 C ATOM 715 CE LYS A 49 -0.165 10.461 -2.129 1.00 0.00 C ATOM 716 NZ LYS A 49 -0.040 11.378 -0.967 1.00 0.00 N ATOM 0 H LYS A 49 -1.588 6.135 -0.728 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.455 7.548 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.049 7.468 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.902 8.718 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.782 9.307 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.932 8.068 -1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.614 9.241 -3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.321 10.521 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.616 9.703 -2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.005 11.024 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.904 11.814 -0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.764 12.121 -1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.172 10.842 -0.086 1.00 0.00 H new ATOM 730 N LEU A 50 -4.678 5.201 -1.154 1.00 0.00 N ATOM 731 CA LEU A 50 -5.784 4.291 -1.387 1.00 0.00 C ATOM 732 C LEU A 50 -5.301 2.845 -1.253 1.00 0.00 C ATOM 733 O LEU A 50 -4.098 2.576 -1.288 1.00 0.00 O ATOM 734 CB LEU A 50 -6.472 4.590 -2.742 1.00 0.00 C ATOM 735 CG LEU A 50 -6.173 3.658 -3.938 1.00 0.00 C ATOM 736 CD1 LEU A 50 -7.216 3.874 -5.033 1.00 0.00 C ATOM 737 CD2 LEU A 50 -4.778 3.871 -4.513 1.00 0.00 C ATOM 0 H LEU A 50 -3.834 4.923 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.551 4.442 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.549 4.583 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.201 5.604 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.218 2.634 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.002 3.215 -5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.208 3.650 -4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.184 4.911 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.622 3.191 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.680 4.900 -4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.033 3.675 -3.742 1.00 0.00 H new ATOM 749 N LYS A 51 -6.247 1.916 -1.139 1.00 0.00 N ATOM 750 CA LYS A 51 -6.020 0.471 -1.190 1.00 0.00 C ATOM 751 C LYS A 51 -6.549 -0.038 -2.535 1.00 0.00 C ATOM 752 O LYS A 51 -7.498 0.542 -3.061 1.00 0.00 O ATOM 753 CB LYS A 51 -6.778 -0.134 0.004 1.00 0.00 C ATOM 754 CG LYS A 51 -6.574 -1.638 0.226 1.00 0.00 C ATOM 755 CD LYS A 51 -7.543 -2.188 1.285 1.00 0.00 C ATOM 756 CE LYS A 51 -7.374 -1.542 2.670 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.262 -2.192 3.656 1.00 0.00 N ATOM 0 H LYS A 51 -7.229 2.156 -1.004 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.968 0.194 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.474 0.393 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.843 0.054 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.722 -2.169 -0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.547 -1.825 0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.567 -2.033 0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.396 -3.264 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.337 -1.628 2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.603 -0.478 2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.075 -1.802 4.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.254 -2.016 3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.083 -3.216 3.662 1.00 0.00 H new ATOM 771 N ILE A 52 -6.011 -1.130 -3.076 1.00 0.00 N ATOM 772 CA ILE A 52 -6.562 -1.790 -4.264 1.00 0.00 C ATOM 773 C ILE A 52 -6.975 -3.187 -3.803 1.00 0.00 C ATOM 774 O ILE A 52 -6.206 -3.820 -3.078 1.00 0.00 O ATOM 775 CB ILE A 52 -5.540 -1.810 -5.432 1.00 0.00 C ATOM 776 CG1 ILE A 52 -5.020 -0.381 -5.743 1.00 0.00 C ATOM 777 CG2 ILE A 52 -6.152 -2.482 -6.681 1.00 0.00 C ATOM 778 CD1 ILE A 52 -4.188 -0.250 -7.025 1.00 0.00 C ATOM 0 H ILE A 52 -5.178 -1.585 -2.703 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.421 -1.254 -4.668 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.680 -2.406 -5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.875 0.291 -5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.416 -0.041 -4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.419 -2.486 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.433 -3.508 -6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.036 -1.928 -6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.874 0.786 -7.150 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.309 -0.890 -6.955 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.790 -0.553 -7.882 1.00 0.00 H new ATOM 790 N VAL A 53 -8.153 -3.677 -4.204 1.00 0.00 N ATOM 791 CA VAL A 53 -8.667 -4.984 -3.785 1.00 0.00 C ATOM 792 C VAL A 53 -9.148 -5.736 -5.028 1.00 0.00 C ATOM 793 O VAL A 53 -10.113 -5.333 -5.679 1.00 0.00 O ATOM 794 CB VAL A 53 -9.806 -4.837 -2.744 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.350 -6.195 -2.277 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.385 -4.072 -1.482 1.00 0.00 C ATOM 0 H VAL A 53 -8.780 -3.174 -4.832 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.871 -5.548 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.573 -4.274 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.146 -6.037 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.745 -6.743 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.546 -6.770 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.230 -4.007 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.563 -4.597 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.062 -3.068 -1.756 1.00 0.00 H new ATOM 806 N LYS A 54 -8.489 -6.842 -5.366 1.00 0.00 N ATOM 807 CA LYS A 54 -8.978 -7.764 -6.385 1.00 0.00 C ATOM 808 C LYS A 54 -10.146 -8.560 -5.822 1.00 0.00 C ATOM 809 O LYS A 54 -10.101 -8.962 -4.654 1.00 0.00 O ATOM 810 CB LYS A 54 -7.857 -8.740 -6.767 1.00 0.00 C ATOM 811 CG LYS A 54 -6.683 -8.095 -7.507 1.00 0.00 C ATOM 812 CD LYS A 54 -7.156 -7.506 -8.840 1.00 0.00 C ATOM 813 CE LYS A 54 -5.960 -7.213 -9.745 1.00 0.00 C ATOM 814 NZ LYS A 54 -6.362 -7.194 -11.174 1.00 0.00 N ATOM 0 H LYS A 54 -7.605 -7.122 -4.942 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.297 -7.200 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.482 -9.216 -5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.276 -9.529 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.242 -7.311 -6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.904 -8.837 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.832 -8.204 -9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.718 -6.590 -8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.522 -6.252 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.190 -7.969 -9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.538 -6.959 -11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.726 -8.130 -11.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.104 -6.479 -11.316 1.00 0.00 H new ATOM 828 N ILE A 55 -11.134 -8.867 -6.665 1.00 0.00 N ATOM 829 CA ILE A 55 -12.211 -9.785 -6.319 1.00 0.00 C ATOM 830 C ILE A 55 -12.660 -10.531 -7.590 1.00 0.00 C ATOM 831 O ILE A 55 -13.085 -9.923 -8.574 1.00 0.00 O ATOM 832 CB ILE A 55 -13.304 -9.014 -5.534 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.446 -9.964 -5.136 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.826 -7.751 -6.243 1.00 0.00 C ATOM 835 CD1 ILE A 55 -15.303 -9.421 -3.986 1.00 0.00 C ATOM 0 H ILE A 55 -11.206 -8.483 -7.607 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.896 -10.574 -5.636 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.823 -8.638 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -15.082 -10.142 -6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -14.026 -10.927 -4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.586 -7.274 -5.624 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -13.001 -7.057 -6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -14.260 -8.026 -7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.092 -10.136 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.677 -9.269 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.750 -8.472 -4.282 1.00 0.00 H new ATOM 847 N ASP A 56 -12.463 -11.854 -7.610 1.00 0.00 N ATOM 848 CA ASP A 56 -12.746 -12.709 -8.772 1.00 0.00 C ATOM 849 C ASP A 56 -14.238 -13.026 -8.811 1.00 0.00 C ATOM 850 O ASP A 56 -14.741 -13.713 -7.917 1.00 0.00 O ATOM 851 CB ASP A 56 -11.929 -14.006 -8.688 1.00 0.00 C ATOM 852 CG ASP A 56 -12.252 -15.033 -9.798 1.00 0.00 C ATOM 853 OD1 ASP A 56 -13.041 -14.748 -10.726 1.00 0.00 O ATOM 854 OD2 ASP A 56 -11.679 -16.144 -9.736 1.00 0.00 O ATOM 0 H ASP A 56 -12.098 -12.370 -6.809 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.464 -12.184 -9.685 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.869 -13.758 -8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.104 -14.470 -7.717 1.00 0.00 H new ATOM 859 N VAL A 57 -14.960 -12.524 -9.815 1.00 0.00 N ATOM 860 CA VAL A 57 -16.412 -12.655 -9.890 1.00 0.00 C ATOM 861 C VAL A 57 -16.878 -14.111 -9.983 1.00 0.00 C ATOM 862 O VAL A 57 -18.014 -14.386 -9.608 1.00 0.00 O ATOM 863 CB VAL A 57 -17.009 -11.803 -11.029 1.00 0.00 C ATOM 864 CG1 VAL A 57 -16.670 -10.319 -10.836 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.586 -12.262 -12.433 1.00 0.00 C ATOM 0 H VAL A 57 -14.551 -12.015 -10.599 1.00 0.00 H new ATOM 0 HA VAL A 57 -16.795 -12.266 -8.947 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.088 -11.945 -10.968 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.101 -9.738 -11.651 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.080 -9.973 -9.887 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.588 -10.191 -10.832 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -17.045 -11.615 -13.181 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.501 -12.207 -12.522 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.911 -13.290 -12.593 1.00 0.00 H new ATOM 875 N ASP A 58 -16.038 -15.056 -10.422 1.00 0.00 N ATOM 876 CA ASP A 58 -16.436 -16.464 -10.553 1.00 0.00 C ATOM 877 C ASP A 58 -16.588 -17.162 -9.194 1.00 0.00 C ATOM 878 O ASP A 58 -17.078 -18.289 -9.120 1.00 0.00 O ATOM 879 CB ASP A 58 -15.442 -17.210 -11.453 1.00 0.00 C ATOM 880 CG ASP A 58 -15.902 -18.648 -11.755 1.00 0.00 C ATOM 881 OD1 ASP A 58 -16.996 -18.829 -12.339 1.00 0.00 O ATOM 882 OD2 ASP A 58 -15.149 -19.603 -11.458 1.00 0.00 O ATOM 0 H ASP A 58 -15.073 -14.870 -10.694 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.421 -16.485 -11.019 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.321 -16.664 -12.389 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.465 -17.236 -10.970 1.00 0.00 H new ATOM 887 N GLU A 59 -16.222 -16.478 -8.107 1.00 0.00 N ATOM 888 CA GLU A 59 -16.492 -16.903 -6.737 1.00 0.00 C ATOM 889 C GLU A 59 -17.209 -15.787 -5.958 1.00 0.00 C ATOM 890 O GLU A 59 -17.452 -15.934 -4.760 1.00 0.00 O ATOM 891 CB GLU A 59 -15.179 -17.321 -6.046 1.00 0.00 C ATOM 892 CG GLU A 59 -14.525 -18.552 -6.694 1.00 0.00 C ATOM 893 CD GLU A 59 -13.328 -19.054 -5.865 1.00 0.00 C ATOM 894 OE1 GLU A 59 -12.192 -18.564 -6.058 1.00 0.00 O ATOM 895 OE2 GLU A 59 -13.506 -19.962 -5.021 1.00 0.00 O ATOM 0 H GLU A 59 -15.718 -15.593 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 59 -17.154 -17.768 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.478 -16.487 -6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.379 -17.533 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.262 -19.349 -6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.192 -18.301 -7.701 1.00 0.00 H new ATOM 902 N ASN A 60 -17.555 -14.672 -6.617 1.00 0.00 N ATOM 903 CA ASN A 60 -18.027 -13.442 -5.973 1.00 0.00 C ATOM 904 C ASN A 60 -19.125 -12.771 -6.787 1.00 0.00 C ATOM 905 O ASN A 60 -19.286 -11.552 -6.768 1.00 0.00 O ATOM 906 CB ASN A 60 -16.855 -12.488 -5.705 1.00 0.00 C ATOM 907 CG ASN A 60 -15.912 -13.077 -4.674 1.00 0.00 C ATOM 908 OD1 ASN A 60 -16.209 -13.076 -3.485 1.00 0.00 O ATOM 909 ND2 ASN A 60 -14.778 -13.609 -5.102 1.00 0.00 N ATOM 0 H ASN A 60 -17.513 -14.601 -7.634 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.465 -13.711 -5.012 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.315 -12.297 -6.632 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.233 -11.528 -5.353 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.129 -14.030 -4.437 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.553 -13.598 -6.097 1.00 0.00 H new ATOM 916 N GLN A 61 -19.903 -13.583 -7.494 1.00 0.00 N ATOM 917 CA GLN A 61 -21.130 -13.176 -8.162 1.00 0.00 C ATOM 918 C GLN A 61 -22.092 -12.523 -7.163 1.00 0.00 C ATOM 919 O GLN A 61 -22.820 -11.599 -7.522 1.00 0.00 O ATOM 920 CB GLN A 61 -21.761 -14.368 -8.912 1.00 0.00 C ATOM 921 CG GLN A 61 -22.129 -15.601 -8.061 1.00 0.00 C ATOM 922 CD GLN A 61 -20.920 -16.351 -7.489 1.00 0.00 C ATOM 923 OE1 GLN A 61 -19.907 -16.543 -8.151 1.00 0.00 O ATOM 924 NE2 GLN A 61 -20.938 -16.718 -6.220 1.00 0.00 N ATOM 0 H GLN A 61 -19.689 -14.572 -7.621 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.897 -12.422 -8.914 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.664 -14.017 -9.412 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -21.068 -14.686 -9.691 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -22.768 -15.283 -7.238 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.714 -16.289 -8.671 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.774 -16.564 -5.657 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -20.116 -17.155 -5.804 1.00 0.00 H new ATOM 933 N GLU A 62 -22.054 -12.959 -5.898 1.00 0.00 N ATOM 934 CA GLU A 62 -22.841 -12.395 -4.817 1.00 0.00 C ATOM 935 C GLU A 62 -22.410 -10.950 -4.548 1.00 0.00 C ATOM 936 O GLU A 62 -23.250 -10.049 -4.552 1.00 0.00 O ATOM 937 CB GLU A 62 -22.657 -13.266 -3.561 1.00 0.00 C ATOM 938 CG GLU A 62 -23.312 -14.652 -3.670 1.00 0.00 C ATOM 939 CD GLU A 62 -24.845 -14.579 -3.806 1.00 0.00 C ATOM 940 OE1 GLU A 62 -25.541 -14.332 -2.795 1.00 0.00 O ATOM 941 OE2 GLU A 62 -25.373 -14.788 -4.922 1.00 0.00 O ATOM 0 H GLU A 62 -21.459 -13.732 -5.600 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.895 -12.383 -5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.591 -13.391 -3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.076 -12.742 -2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -22.900 -15.177 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.058 -15.239 -2.788 1.00 0.00 H new ATOM 948 N THR A 63 -21.111 -10.705 -4.355 1.00 0.00 N ATOM 949 CA THR A 63 -20.601 -9.372 -4.070 1.00 0.00 C ATOM 950 C THR A 63 -20.785 -8.474 -5.288 1.00 0.00 C ATOM 951 O THR A 63 -21.233 -7.346 -5.144 1.00 0.00 O ATOM 952 CB THR A 63 -19.116 -9.404 -3.670 1.00 0.00 C ATOM 953 OG1 THR A 63 -18.701 -10.719 -3.355 1.00 0.00 O ATOM 954 CG2 THR A 63 -18.840 -8.477 -2.486 1.00 0.00 C ATOM 0 H THR A 63 -20.390 -11.426 -4.393 1.00 0.00 H new ATOM 0 HA THR A 63 -21.167 -8.974 -3.228 1.00 0.00 H new ATOM 0 HB THR A 63 -18.544 -9.052 -4.528 1.00 0.00 H new ATOM 0 HG1 THR A 63 -17.942 -10.683 -2.737 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.782 -8.522 -2.228 1.00 0.00 H new ATOM 0 HG22 THR A 63 -19.105 -7.454 -2.755 1.00 0.00 H new ATOM 0 HG23 THR A 63 -19.436 -8.793 -1.630 1.00 0.00 H new ATOM 962 N ALA A 64 -20.484 -8.961 -6.491 1.00 0.00 N ATOM 963 CA ALA A 64 -20.627 -8.165 -7.696 1.00 0.00 C ATOM 964 C ALA A 64 -22.100 -7.767 -7.879 1.00 0.00 C ATOM 965 O ALA A 64 -22.410 -6.589 -8.079 1.00 0.00 O ATOM 966 CB ALA A 64 -20.079 -8.978 -8.877 1.00 0.00 C ATOM 0 H ALA A 64 -20.139 -9.907 -6.651 1.00 0.00 H new ATOM 0 HA ALA A 64 -20.058 -7.238 -7.630 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.177 -8.398 -9.795 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.028 -9.208 -8.704 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.643 -9.906 -8.973 1.00 0.00 H new ATOM 972 N GLY A 65 -23.017 -8.722 -7.694 1.00 0.00 N ATOM 973 CA GLY A 65 -24.455 -8.500 -7.733 1.00 0.00 C ATOM 974 C GLY A 65 -24.931 -7.493 -6.683 1.00 0.00 C ATOM 975 O GLY A 65 -25.927 -6.807 -6.914 1.00 0.00 O ATOM 0 H GLY A 65 -22.767 -9.693 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.736 -8.144 -8.724 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -24.968 -9.449 -7.578 1.00 0.00 H new ATOM 979 N LYS A 66 -24.197 -7.326 -5.575 1.00 0.00 N ATOM 980 CA LYS A 66 -24.476 -6.323 -4.541 1.00 0.00 C ATOM 981 C LYS A 66 -24.473 -4.900 -5.121 1.00 0.00 C ATOM 982 O LYS A 66 -25.126 -4.021 -4.559 1.00 0.00 O ATOM 983 CB LYS A 66 -23.448 -6.458 -3.400 1.00 0.00 C ATOM 984 CG LYS A 66 -24.034 -6.182 -2.007 1.00 0.00 C ATOM 985 CD LYS A 66 -22.954 -6.139 -0.909 1.00 0.00 C ATOM 986 CE LYS A 66 -22.000 -7.349 -0.842 1.00 0.00 C ATOM 987 NZ LYS A 66 -22.669 -8.623 -0.471 1.00 0.00 N ATOM 0 H LYS A 66 -23.377 -7.896 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.475 -6.503 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -23.030 -7.465 -3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.624 -5.768 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.569 -5.232 -2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.764 -6.954 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.356 -5.239 -1.052 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.451 -6.041 0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.517 -7.472 -1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.213 -7.139 -0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.967 -9.390 -0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -23.107 -8.525 0.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -23.402 -8.848 -1.174 1.00 0.00 H new ATOM 1001 N TYR A 67 -23.790 -4.685 -6.252 1.00 0.00 N ATOM 1002 CA TYR A 67 -23.700 -3.402 -6.955 1.00 0.00 C ATOM 1003 C TYR A 67 -24.201 -3.534 -8.405 1.00 0.00 C ATOM 1004 O TYR A 67 -23.974 -2.640 -9.222 1.00 0.00 O ATOM 1005 CB TYR A 67 -22.255 -2.866 -6.892 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.513 -3.194 -5.610 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -21.766 -2.480 -4.423 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.642 -4.299 -5.592 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -21.174 -2.890 -3.214 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -20.059 -4.722 -4.390 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.334 -4.030 -3.189 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.825 -4.491 -2.011 1.00 0.00 O ATOM 0 H TYR A 67 -23.267 -5.426 -6.718 1.00 0.00 H new ATOM 0 HA TYR A 67 -24.348 -2.679 -6.459 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -21.694 -3.272 -7.734 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -22.278 -1.783 -7.016 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.415 -1.617 -4.440 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.422 -4.824 -6.510 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.360 -2.336 -2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.399 -5.577 -4.381 1.00 0.00 H new ATOM 0 HH TYR A 67 -18.931 -4.862 -2.164 1.00 0.00 H new ATOM 1022 N GLY A 68 -24.867 -4.646 -8.745 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.389 -4.923 -10.080 1.00 0.00 C ATOM 1024 C GLY A 68 -24.305 -5.223 -11.121 1.00 0.00 C ATOM 1025 O GLY A 68 -24.572 -5.142 -12.321 1.00 0.00 O ATOM 0 H GLY A 68 -25.060 -5.394 -8.078 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -26.070 -5.772 -10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -25.974 -4.067 -10.416 1.00 0.00 H new ATOM 1029 N VAL A 69 -23.088 -5.554 -10.688 1.00 0.00 N ATOM 1030 CA VAL A 69 -21.982 -5.940 -11.557 1.00 0.00 C ATOM 1031 C VAL A 69 -22.109 -7.442 -11.830 1.00 0.00 C ATOM 1032 O VAL A 69 -22.377 -8.224 -10.917 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.642 -5.581 -10.867 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.417 -5.995 -11.698 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.546 -4.069 -10.605 1.00 0.00 C ATOM 0 H VAL A 69 -22.841 -5.560 -9.698 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.008 -5.407 -12.507 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.636 -6.136 -9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.506 -5.719 -11.166 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.432 -7.073 -11.856 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.442 -5.487 -12.662 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.596 -3.843 -10.120 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -20.607 -3.531 -11.551 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.366 -3.759 -9.958 1.00 0.00 H new ATOM 1045 N MET A 70 -21.898 -7.850 -13.084 1.00 0.00 N ATOM 1046 CA MET A 70 -21.732 -9.251 -13.474 1.00 0.00 C ATOM 1047 C MET A 70 -20.885 -9.332 -14.760 1.00 0.00 C ATOM 1048 O MET A 70 -20.988 -10.288 -15.532 1.00 0.00 O ATOM 1049 CB MET A 70 -23.105 -9.947 -13.594 1.00 0.00 C ATOM 1050 CG MET A 70 -23.032 -11.476 -13.436 1.00 0.00 C ATOM 1051 SD MET A 70 -22.414 -12.085 -11.833 1.00 0.00 S ATOM 1052 CE MET A 70 -20.726 -12.602 -12.267 1.00 0.00 C ATOM 0 H MET A 70 -21.837 -7.203 -13.870 1.00 0.00 H new ATOM 0 HA MET A 70 -21.189 -9.795 -12.701 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.776 -9.543 -12.836 1.00 0.00 H new ATOM 0 HB3 MET A 70 -23.540 -9.710 -14.565 1.00 0.00 H new ATOM 0 HG2 MET A 70 -24.029 -11.886 -13.598 1.00 0.00 H new ATOM 0 HG3 MET A 70 -22.392 -11.873 -14.224 1.00 0.00 H new ATOM 0 HE1 MET A 70 -20.362 -13.314 -11.527 1.00 0.00 H new ATOM 0 HE2 MET A 70 -20.731 -13.072 -13.251 1.00 0.00 H new ATOM 0 HE3 MET A 70 -20.072 -11.730 -12.284 1.00 0.00 H new ATOM 1062 N SER A 71 -20.052 -8.314 -14.996 1.00 0.00 N ATOM 1063 CA SER A 71 -19.186 -8.158 -16.154 1.00 0.00 C ATOM 1064 C SER A 71 -17.858 -7.590 -15.655 1.00 0.00 C ATOM 1065 O SER A 71 -17.823 -6.958 -14.595 1.00 0.00 O ATOM 1066 CB SER A 71 -19.840 -7.219 -17.181 1.00 0.00 C ATOM 1067 OG SER A 71 -21.146 -7.653 -17.533 1.00 0.00 O ATOM 0 H SER A 71 -19.964 -7.536 -14.343 1.00 0.00 H new ATOM 0 HA SER A 71 -19.020 -9.114 -16.651 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.890 -6.210 -16.772 1.00 0.00 H new ATOM 0 HB3 SER A 71 -19.219 -7.170 -18.076 1.00 0.00 H new ATOM 0 HG SER A 71 -21.532 -7.032 -18.186 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.767 -7.826 -16.386 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.409 -7.535 -15.934 1.00 0.00 C ATOM 1075 C ILE A 72 -14.531 -7.092 -17.122 1.00 0.00 C ATOM 1076 O ILE A 72 -14.848 -7.462 -18.256 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.802 -8.763 -15.210 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.486 -10.004 -16.078 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.602 -9.152 -13.957 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -15.665 -10.830 -16.606 1.00 0.00 C ATOM 0 H ILE A 72 -16.805 -8.230 -17.322 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.445 -6.713 -15.219 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.818 -8.398 -14.914 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.900 -9.672 -16.935 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.848 -10.667 -15.493 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -15.138 -10.018 -13.484 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.611 -8.317 -13.257 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.625 -9.398 -14.241 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -15.289 -11.665 -17.196 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -16.247 -11.212 -15.767 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -16.299 -10.201 -17.231 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.412 -6.371 -16.898 1.00 0.00 N ATOM 1093 CA PRO A 73 -13.020 -5.757 -15.634 1.00 0.00 C ATOM 1094 C PRO A 73 -13.993 -4.633 -15.290 1.00 0.00 C ATOM 1095 O PRO A 73 -14.370 -3.849 -16.164 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.599 -5.219 -15.833 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.490 -5.009 -17.341 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.455 -6.034 -17.938 1.00 0.00 C ATOM 0 HA PRO A 73 -13.042 -6.470 -14.810 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.445 -4.287 -15.288 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.851 -5.926 -15.474 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.766 -3.993 -17.622 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.471 -5.171 -17.692 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.962 -5.623 -18.811 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.917 -6.922 -18.270 1.00 0.00 H new ATOM 1106 N THR A 74 -14.362 -4.542 -14.017 1.00 0.00 N ATOM 1107 CA THR A 74 -15.207 -3.483 -13.503 1.00 0.00 C ATOM 1108 C THR A 74 -14.518 -2.950 -12.257 1.00 0.00 C ATOM 1109 O THR A 74 -14.304 -3.670 -11.279 1.00 0.00 O ATOM 1110 CB THR A 74 -16.636 -3.992 -13.264 1.00 0.00 C ATOM 1111 OG1 THR A 74 -17.222 -4.353 -14.496 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.506 -2.913 -12.613 1.00 0.00 C ATOM 0 H THR A 74 -14.075 -5.215 -13.306 1.00 0.00 H new ATOM 0 HA THR A 74 -15.328 -2.667 -14.215 1.00 0.00 H new ATOM 0 HB THR A 74 -16.578 -4.853 -12.598 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.177 -5.326 -14.607 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.512 -3.302 -12.456 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.074 -2.627 -11.654 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.552 -2.041 -13.265 1.00 0.00 H new ATOM 1120 N LEU A 75 -14.118 -1.687 -12.332 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.501 -0.975 -11.236 1.00 0.00 C ATOM 1122 C LEU A 75 -14.627 -0.323 -10.455 1.00 0.00 C ATOM 1123 O LEU A 75 -15.515 0.287 -11.056 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.546 0.105 -11.775 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.338 -0.433 -12.567 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.494 0.747 -13.055 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.459 -1.386 -11.750 1.00 0.00 C ATOM 0 H LEU A 75 -14.218 -1.124 -13.176 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.921 -1.651 -10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.111 0.781 -12.417 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.178 0.695 -10.936 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.731 -1.007 -13.406 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.637 0.374 -13.616 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.099 1.386 -13.698 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.144 1.323 -12.198 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.626 -1.729 -12.364 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.073 -0.864 -10.874 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.051 -2.243 -11.430 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.569 -0.397 -9.130 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.445 0.353 -8.240 1.00 0.00 C ATOM 1141 C LEU A 76 -14.519 1.174 -7.365 1.00 0.00 C ATOM 1142 O LEU A 76 -13.571 0.624 -6.801 1.00 0.00 O ATOM 1143 CB LEU A 76 -16.310 -0.569 -7.356 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.769 -0.713 -7.816 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -17.898 -1.520 -9.110 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -18.604 -1.396 -6.726 1.00 0.00 C ATOM 0 H LEU A 76 -13.901 -0.990 -8.637 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.141 0.963 -8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.852 -1.558 -7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -16.301 -0.185 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.137 0.295 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -18.949 -1.592 -9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.343 -1.023 -9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -17.494 -2.521 -8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -19.636 -1.492 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -18.196 -2.386 -6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -18.575 -0.796 -5.816 1.00 0.00 H new ATOM 1158 N VAL A 77 -14.789 2.468 -7.234 1.00 0.00 N ATOM 1159 CA VAL A 77 -14.121 3.277 -6.232 1.00 0.00 C ATOM 1160 C VAL A 77 -15.097 3.256 -5.067 1.00 0.00 C ATOM 1161 O VAL A 77 -16.274 3.597 -5.232 1.00 0.00 O ATOM 1162 CB VAL A 77 -13.815 4.704 -6.728 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -12.894 5.413 -5.723 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -13.133 4.715 -8.106 1.00 0.00 C ATOM 0 H VAL A 77 -15.463 2.974 -7.808 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.137 2.891 -5.964 1.00 0.00 H new ATOM 0 HB VAL A 77 -14.770 5.221 -6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.679 6.422 -6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.387 5.465 -4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.962 4.856 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.940 5.744 -8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.191 4.170 -8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -13.785 4.238 -8.838 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.611 2.833 -3.907 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.324 2.864 -2.644 1.00 0.00 C ATOM 1176 C LEU A 78 -14.551 3.793 -1.718 1.00 0.00 C ATOM 1177 O LEU A 78 -13.356 4.021 -1.922 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.460 1.454 -2.029 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.172 0.420 -2.933 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -15.165 -0.472 -3.670 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.120 -0.476 -2.129 1.00 0.00 C ATOM 0 H LEU A 78 -13.672 2.444 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.341 3.226 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.465 1.081 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.008 1.533 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.747 0.995 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.701 -1.186 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.521 0.146 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.557 -1.011 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.602 -1.189 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.554 -1.016 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.880 0.139 -1.646 1.00 0.00 H new ATOM 1193 N LYS A 79 -15.207 4.320 -0.689 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.563 5.124 0.336 1.00 0.00 C ATOM 1195 C LYS A 79 -15.250 4.821 1.653 1.00 0.00 C ATOM 1196 O LYS A 79 -16.474 4.910 1.730 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.634 6.615 -0.036 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.751 7.475 0.883 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.652 8.917 0.358 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.508 9.681 1.045 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.232 10.973 0.375 1.00 0.00 N ATOM 0 H LYS A 79 -16.209 4.198 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.504 4.881 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.318 6.747 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.667 6.957 0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.164 7.479 1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.754 7.039 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.489 8.904 -0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.595 9.436 0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.765 9.860 2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.606 9.068 1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.276 11.297 0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.296 10.850 -0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.929 11.680 0.684 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.461 4.469 2.673 1.00 0.00 N ATOM 1216 CA ASP A 80 -14.907 4.253 4.051 1.00 0.00 C ATOM 1217 C ASP A 80 -16.174 3.378 4.167 1.00 0.00 C ATOM 1218 O ASP A 80 -17.007 3.576 5.052 1.00 0.00 O ATOM 1219 CB ASP A 80 -15.021 5.613 4.762 1.00 0.00 C ATOM 1220 CG ASP A 80 -15.244 5.483 6.280 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -14.505 4.721 6.945 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -16.114 6.194 6.832 1.00 0.00 O ATOM 0 H ASP A 80 -13.458 4.322 2.556 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.153 3.659 4.567 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.113 6.188 4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.846 6.176 4.326 1.00 0.00 H new ATOM 1227 N GLY A 81 -16.334 2.402 3.261 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.338 1.348 3.361 1.00 0.00 C ATOM 1229 C GLY A 81 -18.400 1.359 2.263 1.00 0.00 C ATOM 1230 O GLY A 81 -19.180 0.408 2.201 1.00 0.00 O ATOM 0 H GLY A 81 -15.755 2.327 2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.832 0.383 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.836 1.432 4.327 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.460 2.379 1.398 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.521 2.515 0.405 1.00 0.00 C ATOM 1236 C GLU A 82 -18.935 2.849 -0.965 1.00 0.00 C ATOM 1237 O GLU A 82 -17.917 3.534 -1.052 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.531 3.565 0.896 1.00 0.00 C ATOM 1239 CG GLU A 82 -20.057 5.026 0.831 1.00 0.00 C ATOM 1240 CD GLU A 82 -21.112 5.980 1.418 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -22.005 6.445 0.674 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -21.057 6.291 2.631 1.00 0.00 O ATOM 0 H GLU A 82 -17.772 3.131 1.371 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.051 1.570 0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -21.442 3.471 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.796 3.333 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -19.121 5.132 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.852 5.299 -0.204 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.564 2.352 -2.032 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.223 2.697 -3.406 1.00 0.00 C ATOM 1251 C VAL A 83 -19.530 4.178 -3.630 1.00 0.00 C ATOM 1252 O VAL A 83 -20.573 4.689 -3.208 1.00 0.00 O ATOM 1253 CB VAL A 83 -19.911 1.716 -4.386 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -21.437 1.604 -4.229 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -19.564 2.030 -5.846 1.00 0.00 C ATOM 0 H VAL A 83 -20.336 1.689 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.158 2.578 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 83 -19.503 0.744 -4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -21.827 0.894 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -21.675 1.258 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -21.892 2.580 -4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.067 1.318 -6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.892 3.041 -6.089 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.486 1.954 -5.988 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.608 4.849 -4.314 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.698 6.248 -4.697 1.00 0.00 C ATOM 1267 C VAL A 84 -18.553 6.401 -6.213 1.00 0.00 C ATOM 1268 O VAL A 84 -19.042 7.398 -6.749 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.685 7.112 -3.906 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -17.961 7.062 -2.394 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -16.215 6.731 -4.151 1.00 0.00 C ATOM 0 H VAL A 84 -17.742 4.411 -4.628 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.688 6.620 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.832 8.124 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.231 7.679 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.964 7.438 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.883 6.033 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.568 7.381 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -16.054 5.694 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.980 6.847 -5.209 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.958 5.430 -6.927 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.901 5.484 -8.393 1.00 0.00 C ATOM 1283 C GLU A 85 -17.722 4.082 -8.988 1.00 0.00 C ATOM 1284 O GLU A 85 -17.392 3.135 -8.274 1.00 0.00 O ATOM 1285 CB GLU A 85 -16.777 6.454 -8.824 1.00 0.00 C ATOM 1286 CG GLU A 85 -16.749 6.853 -10.307 1.00 0.00 C ATOM 1287 CD GLU A 85 -18.105 7.362 -10.828 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -18.966 6.520 -11.170 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -18.313 8.593 -10.912 1.00 0.00 O ATOM 0 H GLU A 85 -17.515 4.608 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.846 5.864 -8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.863 7.362 -8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.819 5.998 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.997 7.629 -10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.439 5.993 -10.901 1.00 0.00 H new ATOM 1296 N THR A 86 -17.947 3.935 -10.293 1.00 0.00 N ATOM 1297 CA THR A 86 -17.801 2.696 -11.049 1.00 0.00 C ATOM 1298 C THR A 86 -17.258 3.032 -12.449 1.00 0.00 C ATOM 1299 O THR A 86 -17.512 4.116 -12.982 1.00 0.00 O ATOM 1300 CB THR A 86 -19.171 1.990 -11.093 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.588 1.680 -9.776 1.00 0.00 O ATOM 1302 CG2 THR A 86 -19.192 0.695 -11.914 1.00 0.00 C ATOM 0 H THR A 86 -18.250 4.714 -10.877 1.00 0.00 H new ATOM 0 HA THR A 86 -17.091 2.015 -10.580 1.00 0.00 H new ATOM 0 HB THR A 86 -19.844 2.693 -11.584 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.460 1.233 -9.806 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.194 0.266 -11.891 1.00 0.00 H new ATOM 0 HG22 THR A 86 -18.915 0.913 -12.945 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.483 -0.016 -11.490 1.00 0.00 H new ATOM 1310 N SER A 87 -16.491 2.122 -13.052 1.00 0.00 N ATOM 1311 CA SER A 87 -16.030 2.178 -14.438 1.00 0.00 C ATOM 1312 C SER A 87 -15.868 0.742 -14.950 1.00 0.00 C ATOM 1313 O SER A 87 -15.666 -0.175 -14.153 1.00 0.00 O ATOM 1314 CB SER A 87 -14.702 2.944 -14.505 1.00 0.00 C ATOM 1315 OG SER A 87 -14.892 4.304 -14.156 1.00 0.00 O ATOM 0 H SER A 87 -16.160 1.289 -12.565 1.00 0.00 H new ATOM 0 HA SER A 87 -16.751 2.701 -15.066 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.978 2.487 -13.830 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.287 2.876 -15.511 1.00 0.00 H new ATOM 0 HG SER A 87 -15.813 4.438 -13.850 1.00 0.00 H new ATOM 1321 N VAL A 88 -15.949 0.526 -16.264 1.00 0.00 N ATOM 1322 CA VAL A 88 -15.918 -0.804 -16.873 1.00 0.00 C ATOM 1323 C VAL A 88 -14.931 -0.763 -18.045 1.00 0.00 C ATOM 1324 O VAL A 88 -14.828 0.252 -18.742 1.00 0.00 O ATOM 1325 CB VAL A 88 -17.345 -1.223 -17.311 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -17.386 -2.660 -17.852 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.366 -1.131 -16.162 1.00 0.00 C ATOM 0 H VAL A 88 -16.039 1.281 -16.944 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.581 -1.556 -16.160 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.613 -0.518 -18.098 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -18.406 -2.909 -18.146 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.728 -2.742 -18.717 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -17.053 -3.350 -17.077 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.348 -1.435 -16.523 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -18.059 -1.788 -15.349 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.415 -0.104 -15.800 1.00 0.00 H new ATOM 1337 N GLY A 89 -14.219 -1.869 -18.266 1.00 0.00 N ATOM 1338 CA GLY A 89 -13.235 -2.009 -19.331 1.00 0.00 C ATOM 1339 C GLY A 89 -11.857 -1.506 -18.898 1.00 0.00 C ATOM 1340 O GLY A 89 -11.677 -1.004 -17.784 1.00 0.00 O ATOM 0 H GLY A 89 -14.315 -2.709 -17.695 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.164 -3.056 -19.626 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.566 -1.453 -20.208 1.00 0.00 H new ATOM 1344 N PHE A 90 -10.870 -1.674 -19.781 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.510 -1.188 -19.569 1.00 0.00 C ATOM 1346 C PHE A 90 -9.501 0.343 -19.456 1.00 0.00 C ATOM 1347 O PHE A 90 -10.291 1.027 -20.114 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.614 -1.664 -20.727 1.00 0.00 C ATOM 1349 CG PHE A 90 -7.178 -1.174 -20.652 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.227 -1.882 -19.892 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -6.799 0.009 -21.319 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -4.908 -1.401 -19.791 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -5.480 0.489 -21.214 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.536 -0.216 -20.448 1.00 0.00 C ATOM 0 H PHE A 90 -10.996 -2.156 -20.671 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.120 -1.591 -18.634 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.613 -2.754 -20.745 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -9.050 -1.330 -21.669 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.510 -2.794 -19.387 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.523 0.548 -21.912 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.180 -1.944 -19.207 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.194 1.398 -21.722 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.524 0.153 -20.364 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.556 0.877 -18.677 1.00 0.00 N ATOM 1365 CA LYS A 91 -8.219 2.297 -18.611 1.00 0.00 C ATOM 1366 C LYS A 91 -6.701 2.389 -18.474 1.00 0.00 C ATOM 1367 O LYS A 91 -6.121 1.530 -17.806 1.00 0.00 O ATOM 1368 CB LYS A 91 -8.886 2.983 -17.402 1.00 0.00 C ATOM 1369 CG LYS A 91 -10.237 3.595 -17.780 1.00 0.00 C ATOM 1370 CD LYS A 91 -10.897 4.277 -16.568 1.00 0.00 C ATOM 1371 CE LYS A 91 -12.317 4.786 -16.874 1.00 0.00 C ATOM 1372 NZ LYS A 91 -12.343 5.915 -17.841 1.00 0.00 N ATOM 0 H LYS A 91 -7.985 0.308 -18.052 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.577 2.802 -19.508 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.026 2.257 -16.601 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.228 3.761 -17.015 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.099 4.323 -18.580 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.896 2.818 -18.167 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.939 3.572 -15.738 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.277 5.113 -16.245 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.912 3.964 -17.271 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.790 5.102 -15.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.327 6.210 -18.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.801 6.715 -17.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.919 5.611 -18.741 1.00 0.00 H new ATOM 1386 N PRO A 92 -6.056 3.409 -19.060 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.641 3.662 -18.839 1.00 0.00 C ATOM 1388 C PRO A 92 -4.423 4.200 -17.420 1.00 0.00 C ATOM 1389 O PRO A 92 -5.330 4.774 -16.809 1.00 0.00 O ATOM 1390 CB PRO A 92 -4.255 4.675 -19.917 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.538 5.471 -20.145 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.633 4.427 -19.928 1.00 0.00 C ATOM 0 HA PRO A 92 -4.024 2.766 -18.912 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.439 5.318 -19.588 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.923 4.181 -20.830 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.628 6.301 -19.445 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.577 5.895 -21.149 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.514 4.876 -19.469 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.953 3.995 -20.876 1.00 0.00 H new ATOM 1400 N LYS A 93 -3.199 4.067 -16.898 1.00 0.00 N ATOM 1401 CA LYS A 93 -2.883 4.462 -15.532 1.00 0.00 C ATOM 1402 C LYS A 93 -3.080 5.957 -15.321 1.00 0.00 C ATOM 1403 O LYS A 93 -3.485 6.362 -14.236 1.00 0.00 O ATOM 1404 CB LYS A 93 -1.452 4.000 -15.213 1.00 0.00 C ATOM 1405 CG LYS A 93 -1.058 4.172 -13.733 1.00 0.00 C ATOM 1406 CD LYS A 93 0.107 5.150 -13.554 1.00 0.00 C ATOM 1407 CE LYS A 93 -0.304 6.594 -13.874 1.00 0.00 C ATOM 1408 NZ LYS A 93 0.761 7.576 -13.580 1.00 0.00 N ATOM 0 H LYS A 93 -2.406 3.684 -17.413 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.570 3.980 -14.837 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.350 2.950 -15.487 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.752 4.561 -15.833 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.920 4.529 -13.169 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.784 3.203 -13.317 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.473 5.095 -12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.932 4.855 -14.203 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.574 6.664 -14.928 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.194 6.849 -13.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.545 8.476 -14.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.816 7.731 -12.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.673 7.213 -13.925 1.00 0.00 H new ATOM 1422 N GLU A 94 -2.797 6.796 -16.318 1.00 0.00 N ATOM 1423 CA GLU A 94 -2.907 8.233 -16.158 1.00 0.00 C ATOM 1424 C GLU A 94 -4.373 8.663 -15.999 1.00 0.00 C ATOM 1425 O GLU A 94 -4.674 9.555 -15.202 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.209 8.912 -17.343 1.00 0.00 C ATOM 1427 CG GLU A 94 -1.645 10.277 -16.945 1.00 0.00 C ATOM 1428 CD GLU A 94 -0.327 10.181 -16.146 1.00 0.00 C ATOM 1429 OE1 GLU A 94 -0.334 9.699 -14.990 1.00 0.00 O ATOM 1430 OE2 GLU A 94 0.730 10.598 -16.674 1.00 0.00 O ATOM 0 H GLU A 94 -2.490 6.497 -17.244 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.409 8.549 -15.241 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.403 8.275 -17.707 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.916 9.033 -18.164 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.475 10.869 -17.844 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.386 10.809 -16.349 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.300 7.986 -16.683 1.00 0.00 N ATOM 1438 CA ALA A 95 -6.726 8.185 -16.478 1.00 0.00 C ATOM 1439 C ALA A 95 -7.147 7.663 -15.106 1.00 0.00 C ATOM 1440 O ALA A 95 -7.938 8.301 -14.415 1.00 0.00 O ATOM 1441 CB ALA A 95 -7.512 7.445 -17.557 1.00 0.00 C ATOM 0 H ALA A 95 -5.077 7.287 -17.392 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.936 9.253 -16.534 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.580 7.597 -17.399 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.232 7.828 -18.538 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.286 6.380 -17.506 1.00 0.00 H new ATOM 1447 N LEU A 96 -6.620 6.506 -14.702 1.00 0.00 N ATOM 1448 CA LEU A 96 -6.968 5.892 -13.430 1.00 0.00 C ATOM 1449 C LEU A 96 -6.517 6.771 -12.265 1.00 0.00 C ATOM 1450 O LEU A 96 -7.270 6.936 -11.309 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.365 4.483 -13.353 1.00 0.00 C ATOM 1452 CG LEU A 96 -6.738 3.721 -12.066 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -8.256 3.597 -11.880 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -6.109 2.326 -12.120 1.00 0.00 C ATOM 0 H LEU A 96 -5.943 5.974 -15.249 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.052 5.799 -13.358 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.698 3.907 -14.216 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.280 4.557 -13.419 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.356 4.286 -11.216 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.467 3.053 -10.960 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.698 4.592 -11.822 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.683 3.059 -12.726 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.365 1.776 -11.215 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.488 1.790 -12.990 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.025 2.418 -12.194 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.332 7.386 -12.338 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.901 8.293 -11.279 1.00 0.00 C ATOM 1468 C GLN A 97 -5.721 9.581 -11.316 1.00 0.00 C ATOM 1469 O GLN A 97 -6.017 10.141 -10.266 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.378 8.525 -11.262 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.779 9.319 -12.427 1.00 0.00 C ATOM 1472 CD GLN A 97 -2.963 10.837 -12.338 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.536 11.480 -11.383 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.598 11.441 -13.329 1.00 0.00 N ATOM 0 H GLN A 97 -4.669 7.274 -13.105 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.103 7.811 -10.323 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.125 9.041 -10.336 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.888 7.552 -11.229 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.713 9.100 -12.486 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.228 8.967 -13.356 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.948 10.897 -14.117 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.737 12.451 -13.305 1.00 0.00 H new ATOM 1483 N GLU A 98 -6.146 10.036 -12.499 1.00 0.00 N ATOM 1484 CA GLU A 98 -6.980 11.224 -12.620 1.00 0.00 C ATOM 1485 C GLU A 98 -8.344 10.958 -11.973 1.00 0.00 C ATOM 1486 O GLU A 98 -8.894 11.836 -11.307 1.00 0.00 O ATOM 1487 CB GLU A 98 -7.090 11.628 -14.101 1.00 0.00 C ATOM 1488 CG GLU A 98 -8.047 12.801 -14.325 1.00 0.00 C ATOM 1489 CD GLU A 98 -8.008 13.295 -15.782 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -8.789 12.792 -16.621 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -7.214 14.210 -16.100 1.00 0.00 O ATOM 0 H GLU A 98 -5.921 9.592 -13.389 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.530 12.064 -12.091 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.101 11.895 -14.475 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.430 10.771 -14.683 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.062 12.496 -14.071 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.783 13.620 -13.656 1.00 0.00 H new ATOM 1498 N LEU A 99 -8.866 9.741 -12.114 1.00 0.00 N ATOM 1499 CA LEU A 99 -10.063 9.296 -11.407 1.00 0.00 C ATOM 1500 C LEU A 99 -9.808 9.287 -9.896 1.00 0.00 C ATOM 1501 O LEU A 99 -10.531 9.947 -9.151 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.498 7.913 -11.932 1.00 0.00 C ATOM 1503 CG LEU A 99 -11.690 7.289 -11.176 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -12.953 8.150 -11.279 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -11.986 5.893 -11.738 1.00 0.00 C ATOM 0 H LEU A 99 -8.466 9.031 -12.727 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.882 9.991 -11.594 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.760 8.004 -12.986 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.649 7.232 -11.872 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.411 7.225 -10.124 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.765 7.671 -10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.758 9.134 -10.852 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.235 8.258 -12.326 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.828 5.456 -11.202 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.232 5.972 -12.797 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.109 5.258 -11.615 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.777 8.572 -9.441 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.522 8.343 -8.021 1.00 0.00 C ATOM 1519 C VAL A 100 -8.276 9.665 -7.294 1.00 0.00 C ATOM 1520 O VAL A 100 -8.835 9.869 -6.217 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.353 7.344 -7.858 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.760 7.332 -6.441 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.823 5.918 -8.201 1.00 0.00 C ATOM 0 H VAL A 100 -8.091 8.133 -10.055 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.402 7.898 -7.557 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.574 7.676 -8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.944 6.610 -6.394 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.381 8.324 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.533 7.053 -5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.992 5.223 -8.083 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.634 5.631 -7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.176 5.889 -9.232 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.481 10.576 -7.866 1.00 0.00 N ATOM 1534 CA ASN A 101 -7.039 11.778 -7.152 1.00 0.00 C ATOM 1535 C ASN A 101 -8.209 12.674 -6.743 1.00 0.00 C ATOM 1536 O ASN A 101 -8.123 13.367 -5.731 1.00 0.00 O ATOM 1537 CB ASN A 101 -5.968 12.560 -7.937 1.00 0.00 C ATOM 1538 CG ASN A 101 -6.503 13.773 -8.690 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -6.389 14.906 -8.235 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -7.095 13.563 -9.852 1.00 0.00 N ATOM 0 H ASN A 101 -7.131 10.503 -8.821 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.570 11.432 -6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.194 12.890 -7.244 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.492 11.886 -8.649 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.466 14.350 -10.385 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.182 12.614 -10.216 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.310 12.635 -7.499 1.00 0.00 N ATOM 1548 CA LYS A 102 -10.522 13.375 -7.148 1.00 0.00 C ATOM 1549 C LYS A 102 -11.271 12.746 -5.969 1.00 0.00 C ATOM 1550 O LYS A 102 -11.962 13.468 -5.249 1.00 0.00 O ATOM 1551 CB LYS A 102 -11.446 13.512 -8.362 1.00 0.00 C ATOM 1552 CG LYS A 102 -10.839 14.452 -9.418 1.00 0.00 C ATOM 1553 CD LYS A 102 -11.847 14.816 -10.517 1.00 0.00 C ATOM 1554 CE LYS A 102 -12.339 13.593 -11.302 1.00 0.00 C ATOM 1555 NZ LYS A 102 -11.310 13.052 -12.224 1.00 0.00 N ATOM 0 H LYS A 102 -9.385 12.096 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.205 14.369 -6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.621 12.530 -8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.415 13.896 -8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.488 15.363 -8.933 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.968 13.976 -9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.702 15.321 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.386 15.523 -11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.639 12.814 -10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.226 13.866 -11.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.726 12.293 -12.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.967 13.812 -12.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.515 12.671 -11.672 1.00 0.00 H new ATOM 1569 N HIS A 103 -11.156 11.432 -5.760 1.00 0.00 N ATOM 1570 CA HIS A 103 -11.836 10.731 -4.672 1.00 0.00 C ATOM 1571 C HIS A 103 -11.021 10.734 -3.374 1.00 0.00 C ATOM 1572 O HIS A 103 -11.612 10.534 -2.311 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.172 9.294 -5.096 1.00 0.00 C ATOM 1574 CG HIS A 103 -13.241 9.238 -6.160 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -14.567 9.577 -5.999 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -13.080 8.847 -7.462 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -15.186 9.399 -7.179 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -14.319 8.951 -8.105 1.00 0.00 N ATOM 0 H HIS A 103 -10.585 10.823 -6.345 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.760 11.271 -4.466 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.270 8.808 -5.467 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.502 8.730 -4.224 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -15.002 9.905 -5.137 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.157 8.516 -7.915 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.234 9.589 -7.359 1.00 0.00 H new ATOM 1586 N LEU A 104 -9.701 10.953 -3.432 1.00 0.00 N ATOM 1587 CA LEU A 104 -8.854 11.099 -2.247 1.00 0.00 C ATOM 1588 C LEU A 104 -9.402 12.209 -1.354 1.00 0.00 C ATOM 1589 O LEU A 104 -9.569 13.347 -1.842 1.00 0.00 O ATOM 1590 CB LEU A 104 -7.383 11.367 -2.617 1.00 0.00 C ATOM 1591 CG LEU A 104 -6.667 10.237 -3.379 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -5.202 10.623 -3.605 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -6.734 8.884 -2.660 1.00 0.00 C ATOM 1594 OXT LEU A 104 -9.665 11.935 -0.165 1.00 0.00 O ATOM 0 H LEU A 104 -9.189 11.034 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.874 10.156 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.340 12.272 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.829 11.570 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.188 10.116 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.694 9.824 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.154 11.542 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.714 10.778 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.210 8.132 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.263 8.969 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.776 8.588 -2.538 1.00 0.00 H new TER 1606 LEU A 104