USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1024 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 88 THR OG1 : rot 165:sc= -1.81! USER MOD Set 1.2: A 90 GLN : amide:sc= -1.4! C(o=-3.2!,f=-7.7!) USER MOD Set 2.1: A 52 HIS : no HD1:sc= -22.6! C(o=-24!,f=-30!) USER MOD Set 2.2: A 79 THR OG1 : rot -43:sc= -1.06! USER MOD Set 3.1: A 44 MET CE :methyl 175:sc= -0.415 (180deg=-0.345) USER MOD Set 3.2: A 64 MET CE :methyl -151:sc= -0.626 (180deg=-1.91!) USER MOD Set 4.1: A 15 GLN : amide:sc= -0.0488 K(o=-1.5,f=-4) USER MOD Set 4.2: A 60 ASN : amide:sc= -1.43! C(o=-1.5!,f=-1.4!) USER MOD Single : A 1 MET CE :methyl 150:sc= -0.0807 (180deg=-0.552) USER MOD Single : A 1 MET N :NH3+ -146:sc= -0.323 (180deg=-1.72!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -164:sc= -0.163 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 28 GLN : amide:sc= -0.242 K(o=-0.24,f=-2.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.522 K(o=-0.52,f=-1.9) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.441 K(o=-0.44,f=-3.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 144:sc= -3.27 (180deg=-5.53!) USER MOD Single : A 49 GLN : amide:sc= -0.0375 K(o=-0.037,f=-1.6!) USER MOD Single : A 50 ASN : amide:sc= -4.24! C(o=-4.2!,f=-7.3!) USER MOD Single : A 53 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-2.5!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.669 USER MOD Single : A 61 MET CE :methyl -179:sc= 0 (180deg=-0.000617) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -1.68! X(o=-1.7!,f=-1.6) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 178:sc= -0.167 (180deg=-0.175) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -2.59 K(o=-2.6,f=-3.7!) USER MOD Single : A 106 ASN : amide:sc= -0.295 K(o=-0.29,f=-1.1!) USER MOD Single : A 110 LYS NZ :NH3+ -164:sc= -2.52 (180deg=-2.63!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 172:sc= -0.224 (180deg=-0.327) USER MOD Single : A 118 LYS NZ :NH3+ -163:sc=-0.00547 (180deg=-0.149) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.099 16.764 9.816 1.00 0.00 N ATOM 2 CA MET A 1 14.510 15.652 8.976 1.00 0.00 C ATOM 3 C MET A 1 14.096 15.881 7.521 1.00 0.00 C ATOM 4 O MET A 1 14.944 16.097 6.657 1.00 0.00 O ATOM 5 CB MET A 1 13.872 14.360 9.491 1.00 0.00 C ATOM 6 CG MET A 1 14.005 14.251 11.011 1.00 0.00 C ATOM 7 SD MET A 1 12.393 14.336 11.773 1.00 0.00 S ATOM 8 CE MET A 1 11.686 12.811 11.172 1.00 0.00 C ATOM 0 H1 MET A 1 14.803 16.910 10.567 1.00 0.00 H new ATOM 0 H2 MET A 1 14.024 17.626 9.239 1.00 0.00 H new ATOM 0 H3 MET A 1 13.175 16.553 10.244 1.00 0.00 H new ATOM 0 HA MET A 1 15.596 15.573 9.017 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.819 14.334 9.212 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.349 13.501 9.018 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.492 13.312 11.275 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.637 15.055 11.388 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.970 12.430 11.900 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.178 12.994 10.225 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.478 12.077 11.023 1.00 0.00 H new ATOM 18 N SER A 2 12.792 15.826 7.295 1.00 0.00 N ATOM 19 CA SER A 2 12.255 16.025 5.959 1.00 0.00 C ATOM 20 C SER A 2 10.745 16.261 6.032 1.00 0.00 C ATOM 21 O SER A 2 10.223 17.167 5.385 1.00 0.00 O ATOM 22 CB SER A 2 12.562 14.827 5.058 1.00 0.00 C ATOM 23 OG SER A 2 13.223 15.218 3.858 1.00 0.00 O ATOM 0 H SER A 2 12.091 15.647 8.014 1.00 0.00 H new ATOM 0 HA SER A 2 12.733 16.903 5.525 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.185 14.116 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.634 14.313 4.810 1.00 0.00 H new ATOM 0 HG SER A 2 13.403 14.425 3.311 1.00 0.00 H new ATOM 29 N LEU A 3 10.086 15.429 6.825 1.00 0.00 N ATOM 30 CA LEU A 3 8.647 15.537 6.991 1.00 0.00 C ATOM 31 C LEU A 3 8.283 15.253 8.450 1.00 0.00 C ATOM 32 O LEU A 3 8.526 14.156 8.952 1.00 0.00 O ATOM 33 CB LEU A 3 7.923 14.633 5.991 1.00 0.00 C ATOM 34 CG LEU A 3 6.786 15.282 5.200 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.984 16.243 6.081 1.00 0.00 C ATOM 36 CD2 LEU A 3 7.316 15.969 3.940 1.00 0.00 C ATOM 0 H LEU A 3 10.522 14.678 7.359 1.00 0.00 H new ATOM 0 HA LEU A 3 8.314 16.551 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.657 14.247 5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.520 13.777 6.532 1.00 0.00 H new ATOM 0 HG LEU A 3 6.104 14.496 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.182 16.691 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.557 15.696 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.641 17.028 6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.487 16.422 3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.031 16.742 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.808 15.233 3.304 1.00 0.00 H new ATOM 48 N ALA A 4 7.707 16.260 9.089 1.00 0.00 N ATOM 49 CA ALA A 4 7.308 16.134 10.481 1.00 0.00 C ATOM 50 C ALA A 4 6.395 14.914 10.636 1.00 0.00 C ATOM 51 O ALA A 4 6.516 14.163 11.602 1.00 0.00 O ATOM 52 CB ALA A 4 6.633 17.429 10.939 1.00 0.00 C ATOM 0 H ALA A 4 7.507 17.168 8.669 1.00 0.00 H new ATOM 0 HA ALA A 4 8.179 15.978 11.117 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.334 17.334 11.983 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.331 18.260 10.836 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.752 17.617 10.325 1.00 0.00 H new ATOM 58 N GLU A 5 5.503 14.757 9.669 1.00 0.00 N ATOM 59 CA GLU A 5 4.571 13.643 9.686 1.00 0.00 C ATOM 60 C GLU A 5 5.163 12.444 8.942 1.00 0.00 C ATOM 61 O GLU A 5 5.115 11.318 9.435 1.00 0.00 O ATOM 62 CB GLU A 5 3.222 14.047 9.087 1.00 0.00 C ATOM 63 CG GLU A 5 2.291 14.611 10.163 1.00 0.00 C ATOM 64 CD GLU A 5 1.151 15.415 9.535 1.00 0.00 C ATOM 65 OE1 GLU A 5 1.421 16.571 9.145 1.00 0.00 O ATOM 66 OE2 GLU A 5 0.036 14.855 9.462 1.00 0.00 O ATOM 0 H GLU A 5 5.406 15.382 8.869 1.00 0.00 H new ATOM 0 HA GLU A 5 4.400 13.355 10.723 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.375 14.792 8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.756 13.182 8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.881 13.795 10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.858 15.247 10.843 1.00 0.00 H new ATOM 73 N LYS A 6 5.709 12.726 7.769 1.00 0.00 N ATOM 74 CA LYS A 6 6.310 11.686 6.952 1.00 0.00 C ATOM 75 C LYS A 6 5.422 10.441 6.986 1.00 0.00 C ATOM 76 O LYS A 6 5.900 9.327 6.771 1.00 0.00 O ATOM 77 CB LYS A 6 7.752 11.425 7.393 1.00 0.00 C ATOM 78 CG LYS A 6 7.793 10.543 8.642 1.00 0.00 C ATOM 79 CD LYS A 6 9.224 10.101 8.955 1.00 0.00 C ATOM 80 CE LYS A 6 9.432 8.627 8.603 1.00 0.00 C ATOM 81 NZ LYS A 6 9.479 7.802 9.831 1.00 0.00 N ATOM 0 H LYS A 6 5.748 13.661 7.364 1.00 0.00 H new ATOM 0 HA LYS A 6 6.372 12.006 5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.301 10.942 6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.251 12.373 7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.384 11.090 9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.162 9.667 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.929 10.715 8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.434 10.259 10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.623 8.284 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.359 8.508 8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.621 6.804 9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.266 8.120 10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.584 7.902 10.351 1.00 0.00 H new ATOM 95 N ILE A 7 4.146 10.670 7.259 1.00 0.00 N ATOM 96 CA ILE A 7 3.187 9.580 7.325 1.00 0.00 C ATOM 97 C ILE A 7 2.046 9.851 6.342 1.00 0.00 C ATOM 98 O ILE A 7 1.059 10.495 6.693 1.00 0.00 O ATOM 99 CB ILE A 7 2.720 9.363 8.765 1.00 0.00 C ATOM 100 CG1 ILE A 7 1.690 8.234 8.843 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.190 10.665 9.371 1.00 0.00 C ATOM 102 CD1 ILE A 7 2.379 6.871 8.941 1.00 0.00 C ATOM 0 H ILE A 7 3.754 11.595 7.437 1.00 0.00 H new ATOM 0 HA ILE A 7 3.654 8.643 7.022 1.00 0.00 H new ATOM 0 HB ILE A 7 3.580 9.056 9.361 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.046 8.383 9.710 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.049 8.259 7.962 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.864 10.483 10.395 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.981 11.415 9.369 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.347 11.024 8.781 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.625 6.085 8.995 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.003 6.715 8.061 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.000 6.841 9.836 1.00 0.00 H new ATOM 114 N LYS A 8 2.220 9.346 5.129 1.00 0.00 N ATOM 115 CA LYS A 8 1.217 9.525 4.094 1.00 0.00 C ATOM 116 C LYS A 8 0.808 8.158 3.542 1.00 0.00 C ATOM 117 O LYS A 8 1.653 7.282 3.359 1.00 0.00 O ATOM 118 CB LYS A 8 1.720 10.494 3.022 1.00 0.00 C ATOM 119 CG LYS A 8 0.884 11.776 3.004 1.00 0.00 C ATOM 120 CD LYS A 8 1.685 12.946 2.431 1.00 0.00 C ATOM 121 CE LYS A 8 1.005 13.518 1.185 1.00 0.00 C ATOM 122 NZ LYS A 8 1.171 14.988 1.133 1.00 0.00 N ATOM 0 H LYS A 8 3.041 8.813 4.841 1.00 0.00 H new ATOM 0 HA LYS A 8 0.320 9.983 4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.765 10.740 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.677 10.014 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.015 11.620 2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.557 12.015 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.786 13.726 3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.692 12.613 2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.433 13.066 0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.055 13.266 1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.704 15.360 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.742 15.416 1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.184 15.222 1.102 1.00 0.00 H new ATOM 136 N VAL A 9 -0.486 8.018 3.294 1.00 0.00 N ATOM 137 CA VAL A 9 -1.015 6.772 2.768 1.00 0.00 C ATOM 138 C VAL A 9 -1.349 6.950 1.285 1.00 0.00 C ATOM 139 O VAL A 9 -2.062 7.880 0.913 1.00 0.00 O ATOM 140 CB VAL A 9 -2.217 6.321 3.601 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.595 4.873 3.278 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.945 6.497 5.096 1.00 0.00 C ATOM 0 H VAL A 9 -1.183 8.747 3.448 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.270 5.980 2.841 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.064 6.955 3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.452 4.577 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.851 4.791 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.752 4.219 3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.815 6.169 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.079 5.900 5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.747 7.548 5.309 1.00 0.00 H new ATOM 152 N LEU A 10 -0.818 6.043 0.479 1.00 0.00 N ATOM 153 CA LEU A 10 -1.050 6.089 -0.956 1.00 0.00 C ATOM 154 C LEU A 10 -1.953 4.922 -1.358 1.00 0.00 C ATOM 155 O LEU A 10 -1.583 3.761 -1.197 1.00 0.00 O ATOM 156 CB LEU A 10 0.279 6.127 -1.713 1.00 0.00 C ATOM 157 CG LEU A 10 0.257 5.563 -3.135 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.837 4.148 -3.173 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.153 5.622 -3.726 1.00 0.00 C ATOM 0 H LEU A 10 -0.228 5.272 0.791 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.572 7.006 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.619 7.162 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.019 5.574 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 10 0.894 6.188 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.809 3.771 -4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.869 4.168 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.247 3.495 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.141 5.215 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.832 5.035 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.492 6.657 -3.756 1.00 0.00 H new ATOM 171 N ILE A 11 -3.123 5.271 -1.875 1.00 0.00 N ATOM 172 CA ILE A 11 -4.083 4.267 -2.302 1.00 0.00 C ATOM 173 C ILE A 11 -4.657 4.664 -3.663 1.00 0.00 C ATOM 174 O ILE A 11 -5.413 5.630 -3.765 1.00 0.00 O ATOM 175 CB ILE A 11 -5.147 4.051 -1.224 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.119 5.231 -1.170 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.503 3.776 0.136 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.298 5.015 -2.121 1.00 0.00 C ATOM 0 H ILE A 11 -3.427 6.235 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.594 3.302 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.727 3.167 -1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.487 5.357 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.596 6.150 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.282 3.626 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.885 2.881 0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.883 4.625 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.973 5.868 -2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.929 4.914 -3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.833 4.109 -1.837 1.00 0.00 H new ATOM 190 N VAL A 12 -4.278 3.899 -4.676 1.00 0.00 N ATOM 191 CA VAL A 12 -4.746 4.159 -6.026 1.00 0.00 C ATOM 192 C VAL A 12 -5.233 2.850 -6.653 1.00 0.00 C ATOM 193 O VAL A 12 -4.526 1.844 -6.626 1.00 0.00 O ATOM 194 CB VAL A 12 -3.643 4.838 -6.841 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.407 3.942 -6.944 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.151 5.232 -8.229 1.00 0.00 C ATOM 0 H VAL A 12 -3.652 3.099 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.591 4.847 -6.011 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.353 5.750 -6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.638 4.448 -7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.025 3.733 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.676 3.006 -7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.348 5.713 -8.788 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.481 4.340 -8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.987 5.924 -8.128 1.00 0.00 H new ATOM 206 N ASP A 13 -6.437 2.906 -7.202 1.00 0.00 N ATOM 207 CA ASP A 13 -7.028 1.739 -7.833 1.00 0.00 C ATOM 208 C ASP A 13 -7.742 2.165 -9.118 1.00 0.00 C ATOM 209 O ASP A 13 -8.328 3.245 -9.177 1.00 0.00 O ATOM 210 CB ASP A 13 -8.058 1.078 -6.917 1.00 0.00 C ATOM 211 CG ASP A 13 -7.502 0.551 -5.592 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.026 1.394 -4.802 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.565 -0.683 -5.401 1.00 0.00 O ATOM 0 H ASP A 13 -7.020 3.743 -7.223 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.228 1.030 -8.045 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.846 1.799 -6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.521 0.250 -7.454 1.00 0.00 H new ATOM 218 N ASP A 14 -7.669 1.295 -10.115 1.00 0.00 N ATOM 219 CA ASP A 14 -8.302 1.568 -11.393 1.00 0.00 C ATOM 220 C ASP A 14 -9.787 1.865 -11.171 1.00 0.00 C ATOM 221 O ASP A 14 -10.299 2.876 -11.649 1.00 0.00 O ATOM 222 CB ASP A 14 -8.196 0.362 -12.329 1.00 0.00 C ATOM 223 CG ASP A 14 -8.087 0.704 -13.816 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.070 1.332 -14.181 1.00 0.00 O ATOM 225 OD2 ASP A 14 -9.024 0.330 -14.555 1.00 0.00 O ATOM 0 H ASP A 14 -7.181 0.401 -10.063 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.795 2.421 -11.844 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.324 -0.226 -12.042 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.070 -0.272 -12.181 1.00 0.00 H new ATOM 230 N GLN A 15 -10.435 0.966 -10.445 1.00 0.00 N ATOM 231 CA GLN A 15 -11.849 1.120 -10.153 1.00 0.00 C ATOM 232 C GLN A 15 -12.044 1.994 -8.912 1.00 0.00 C ATOM 233 O GLN A 15 -11.266 1.913 -7.963 1.00 0.00 O ATOM 234 CB GLN A 15 -12.523 -0.243 -9.974 1.00 0.00 C ATOM 235 CG GLN A 15 -13.825 -0.320 -10.774 1.00 0.00 C ATOM 236 CD GLN A 15 -13.732 -1.381 -11.872 1.00 0.00 C ATOM 237 OE1 GLN A 15 -13.181 -2.453 -11.689 1.00 0.00 O ATOM 238 NE2 GLN A 15 -14.301 -1.022 -13.019 1.00 0.00 N ATOM 0 H GLN A 15 -10.006 0.129 -10.051 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.323 1.616 -11.000 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.846 -1.033 -10.298 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.730 -0.414 -8.918 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.653 -0.555 -10.106 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.040 0.651 -11.219 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.746 -0.108 -13.104 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.293 -1.661 -13.814 1.00 0.00 H new ATOM 247 N VAL A 16 -13.086 2.810 -8.961 1.00 0.00 N ATOM 248 CA VAL A 16 -13.393 3.699 -7.853 1.00 0.00 C ATOM 249 C VAL A 16 -13.883 2.873 -6.662 1.00 0.00 C ATOM 250 O VAL A 16 -13.503 3.133 -5.522 1.00 0.00 O ATOM 251 CB VAL A 16 -14.399 4.762 -8.297 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.216 5.275 -7.110 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.697 5.914 -9.018 1.00 0.00 C ATOM 0 H VAL A 16 -13.729 2.875 -9.750 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.498 4.232 -7.533 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.088 4.296 -9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.923 6.030 -7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.761 4.446 -6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.547 5.715 -6.371 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.435 6.656 -9.323 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.974 6.377 -8.347 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.181 5.532 -9.899 1.00 0.00 H new ATOM 263 N THR A 17 -14.721 1.892 -6.968 1.00 0.00 N ATOM 264 CA THR A 17 -15.267 1.026 -5.937 1.00 0.00 C ATOM 265 C THR A 17 -14.140 0.331 -5.172 1.00 0.00 C ATOM 266 O THR A 17 -14.249 0.104 -3.968 1.00 0.00 O ATOM 267 CB THR A 17 -16.239 0.052 -6.605 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.526 0.504 -6.188 1.00 0.00 O ATOM 269 CG2 THR A 17 -16.138 -1.363 -6.032 1.00 0.00 C ATOM 0 H THR A 17 -15.035 1.678 -7.915 1.00 0.00 H new ATOM 0 HA THR A 17 -15.818 1.598 -5.191 1.00 0.00 H new ATOM 0 HB THR A 17 -16.044 0.024 -7.677 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.217 -0.071 -6.578 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.849 -2.013 -6.541 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.128 -1.744 -6.180 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.365 -1.341 -4.966 1.00 0.00 H new ATOM 277 N SER A 18 -13.082 0.010 -5.904 1.00 0.00 N ATOM 278 CA SER A 18 -11.935 -0.656 -5.309 1.00 0.00 C ATOM 279 C SER A 18 -11.154 0.327 -4.435 1.00 0.00 C ATOM 280 O SER A 18 -10.955 0.085 -3.246 1.00 0.00 O ATOM 281 CB SER A 18 -11.024 -1.249 -6.385 1.00 0.00 C ATOM 282 OG SER A 18 -11.765 -1.770 -7.485 1.00 0.00 O ATOM 0 H SER A 18 -12.995 0.199 -6.903 1.00 0.00 H new ATOM 0 HA SER A 18 -12.299 -1.474 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.337 -0.481 -6.742 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.417 -2.042 -5.949 1.00 0.00 H new ATOM 0 HG SER A 18 -11.191 -2.360 -8.016 1.00 0.00 H new ATOM 288 N ARG A 19 -10.733 1.419 -5.058 1.00 0.00 N ATOM 289 CA ARG A 19 -9.978 2.440 -4.353 1.00 0.00 C ATOM 290 C ARG A 19 -10.835 3.067 -3.252 1.00 0.00 C ATOM 291 O ARG A 19 -10.312 3.517 -2.233 1.00 0.00 O ATOM 292 CB ARG A 19 -9.507 3.536 -5.310 1.00 0.00 C ATOM 293 CG ARG A 19 -9.657 4.920 -4.675 1.00 0.00 C ATOM 294 CD ARG A 19 -11.107 5.403 -4.750 1.00 0.00 C ATOM 295 NE ARG A 19 -11.146 6.826 -5.157 1.00 0.00 N ATOM 296 CZ ARG A 19 -10.759 7.274 -6.359 1.00 0.00 C ATOM 297 NH1 ARG A 19 -10.303 6.413 -7.280 1.00 0.00 N ATOM 298 NH2 ARG A 19 -10.830 8.583 -6.641 1.00 0.00 N ATOM 0 H ARG A 19 -10.901 1.618 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.105 1.961 -3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.464 3.366 -5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.085 3.491 -6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.335 4.883 -3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.006 5.631 -5.185 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.665 4.797 -5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.591 5.280 -3.781 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.489 7.508 -4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.251 5.417 -7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.008 6.754 -8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.179 9.237 -5.941 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.535 8.924 -7.556 1.00 0.00 H new ATOM 312 N LEU A 20 -12.138 3.077 -3.493 1.00 0.00 N ATOM 313 CA LEU A 20 -13.073 3.642 -2.535 1.00 0.00 C ATOM 314 C LEU A 20 -13.181 2.711 -1.325 1.00 0.00 C ATOM 315 O LEU A 20 -13.182 3.168 -0.184 1.00 0.00 O ATOM 316 CB LEU A 20 -14.416 3.937 -3.207 1.00 0.00 C ATOM 317 CG LEU A 20 -15.571 4.295 -2.268 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.452 5.387 -2.876 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.377 3.050 -1.891 1.00 0.00 C ATOM 0 H LEU A 20 -12.568 2.703 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.710 4.602 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.276 4.759 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.707 3.065 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.151 4.697 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.265 5.623 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.854 6.281 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.866 5.036 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.191 3.332 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.788 2.596 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.727 2.334 -1.388 1.00 0.00 H new ATOM 331 N LEU A 21 -13.271 1.422 -1.617 1.00 0.00 N ATOM 332 CA LEU A 21 -13.380 0.423 -0.568 1.00 0.00 C ATOM 333 C LEU A 21 -12.150 0.505 0.339 1.00 0.00 C ATOM 334 O LEU A 21 -12.278 0.697 1.547 1.00 0.00 O ATOM 335 CB LEU A 21 -13.607 -0.964 -1.170 1.00 0.00 C ATOM 336 CG LEU A 21 -15.028 -1.262 -1.653 1.00 0.00 C ATOM 337 CD1 LEU A 21 -15.025 -2.341 -2.737 1.00 0.00 C ATOM 338 CD2 LEU A 21 -15.939 -1.630 -0.481 1.00 0.00 C ATOM 0 H LEU A 21 -13.271 1.046 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.251 0.621 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.925 -1.089 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.334 -1.711 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.432 -0.355 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.048 -2.533 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.432 -2.002 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.593 -3.258 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.943 -1.837 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.547 -2.515 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.977 -0.800 0.225 1.00 0.00 H new ATOM 350 N LEU A 22 -10.988 0.358 -0.279 1.00 0.00 N ATOM 351 CA LEU A 22 -9.736 0.413 0.457 1.00 0.00 C ATOM 352 C LEU A 22 -9.658 1.737 1.221 1.00 0.00 C ATOM 353 O LEU A 22 -9.384 1.749 2.420 1.00 0.00 O ATOM 354 CB LEU A 22 -8.552 0.174 -0.481 1.00 0.00 C ATOM 355 CG LEU A 22 -8.647 0.827 -1.861 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.742 2.058 -1.949 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.345 -0.185 -2.969 1.00 0.00 C ATOM 0 H LEU A 22 -10.887 0.201 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.693 -0.387 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.648 0.535 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.433 -0.901 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.672 1.169 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.829 2.503 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.044 2.786 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.708 1.763 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.419 0.305 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.337 -0.578 -2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.063 -1.003 -2.920 1.00 0.00 H new ATOM 369 N GLY A 23 -9.903 2.817 0.496 1.00 0.00 N ATOM 370 CA GLY A 23 -9.863 4.142 1.090 1.00 0.00 C ATOM 371 C GLY A 23 -10.921 4.283 2.187 1.00 0.00 C ATOM 372 O GLY A 23 -10.726 5.021 3.152 1.00 0.00 O ATOM 0 H GLY A 23 -10.130 2.802 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.874 4.327 1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.030 4.895 0.320 1.00 0.00 H new ATOM 376 N ASP A 24 -12.019 3.565 2.001 1.00 0.00 N ATOM 377 CA ASP A 24 -13.108 3.601 2.961 1.00 0.00 C ATOM 378 C ASP A 24 -12.725 2.776 4.192 1.00 0.00 C ATOM 379 O ASP A 24 -12.878 3.234 5.323 1.00 0.00 O ATOM 380 CB ASP A 24 -14.385 3.001 2.369 1.00 0.00 C ATOM 381 CG ASP A 24 -15.635 3.153 3.238 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.729 2.404 4.235 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.469 4.016 2.887 1.00 0.00 O ATOM 0 H ASP A 24 -12.177 2.955 1.199 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.288 4.643 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.574 3.469 1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.217 1.940 2.183 1.00 0.00 H new ATOM 388 N ALA A 25 -12.234 1.574 3.929 1.00 0.00 N ATOM 389 CA ALA A 25 -11.828 0.681 5.000 1.00 0.00 C ATOM 390 C ALA A 25 -10.776 1.377 5.868 1.00 0.00 C ATOM 391 O ALA A 25 -10.855 1.342 7.095 1.00 0.00 O ATOM 392 CB ALA A 25 -11.316 -0.632 4.405 1.00 0.00 C ATOM 0 H ALA A 25 -12.108 1.198 2.989 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.677 0.440 5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.011 -1.302 5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.109 -1.101 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.462 -0.430 3.758 1.00 0.00 H new ATOM 398 N LEU A 26 -9.815 1.994 5.195 1.00 0.00 N ATOM 399 CA LEU A 26 -8.749 2.696 5.888 1.00 0.00 C ATOM 400 C LEU A 26 -9.311 3.971 6.520 1.00 0.00 C ATOM 401 O LEU A 26 -8.781 4.461 7.516 1.00 0.00 O ATOM 402 CB LEU A 26 -7.569 2.945 4.946 1.00 0.00 C ATOM 403 CG LEU A 26 -6.395 1.973 5.071 1.00 0.00 C ATOM 404 CD1 LEU A 26 -6.888 0.532 5.214 1.00 0.00 C ATOM 405 CD2 LEU A 26 -5.423 2.133 3.899 1.00 0.00 C ATOM 0 H LEU A 26 -9.753 2.022 4.177 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.355 2.084 6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.935 2.911 3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.198 3.955 5.119 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.846 2.217 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.033 -0.138 5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.508 0.447 6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.475 0.259 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.598 1.430 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.945 1.932 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.034 3.151 3.886 1.00 0.00 H new ATOM 417 N GLN A 27 -10.378 4.473 5.913 1.00 0.00 N ATOM 418 CA GLN A 27 -11.017 5.681 6.404 1.00 0.00 C ATOM 419 C GLN A 27 -11.498 5.482 7.842 1.00 0.00 C ATOM 420 O GLN A 27 -11.203 6.293 8.718 1.00 0.00 O ATOM 421 CB GLN A 27 -12.173 6.098 5.493 1.00 0.00 C ATOM 422 CG GLN A 27 -13.517 5.953 6.210 1.00 0.00 C ATOM 423 CD GLN A 27 -14.652 6.545 5.371 1.00 0.00 C ATOM 424 OE1 GLN A 27 -14.484 6.907 4.219 1.00 0.00 O ATOM 425 NE2 GLN A 27 -15.815 6.622 6.014 1.00 0.00 N ATOM 0 H GLN A 27 -10.815 4.065 5.087 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.282 6.486 6.396 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.036 7.132 5.176 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.170 5.485 4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.717 4.900 6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.474 6.455 7.176 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.886 6.300 6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.635 7.002 5.541 1.00 0.00 H new ATOM 434 N GLN A 28 -12.230 4.396 8.042 1.00 0.00 N ATOM 435 CA GLN A 28 -12.755 4.079 9.360 1.00 0.00 C ATOM 436 C GLN A 28 -11.608 3.835 10.343 1.00 0.00 C ATOM 437 O GLN A 28 -11.824 3.779 11.552 1.00 0.00 O ATOM 438 CB GLN A 28 -13.692 2.871 9.300 1.00 0.00 C ATOM 439 CG GLN A 28 -15.016 3.169 10.008 1.00 0.00 C ATOM 440 CD GLN A 28 -16.105 3.542 8.999 1.00 0.00 C ATOM 441 OE1 GLN A 28 -15.938 3.425 7.796 1.00 0.00 O ATOM 442 NE2 GLN A 28 -17.223 3.997 9.555 1.00 0.00 N ATOM 0 H GLN A 28 -12.472 3.724 7.314 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.336 4.931 9.714 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.883 2.606 8.260 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.212 2.010 9.766 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.330 2.297 10.582 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.878 3.985 10.718 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.295 4.069 10.570 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -18.009 4.274 8.967 1.00 0.00 H new ATOM 451 N LEU A 29 -10.414 3.698 9.787 1.00 0.00 N ATOM 452 CA LEU A 29 -9.232 3.461 10.600 1.00 0.00 C ATOM 453 C LEU A 29 -8.497 4.785 10.820 1.00 0.00 C ATOM 454 O LEU A 29 -7.634 4.881 11.690 1.00 0.00 O ATOM 455 CB LEU A 29 -8.361 2.370 9.975 1.00 0.00 C ATOM 456 CG LEU A 29 -6.860 2.662 9.915 1.00 0.00 C ATOM 457 CD1 LEU A 29 -6.237 2.615 11.312 1.00 0.00 C ATOM 458 CD2 LEU A 29 -6.156 1.715 8.942 1.00 0.00 C ATOM 0 H LEU A 29 -10.239 3.746 8.783 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.515 3.085 11.583 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.509 1.448 10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.716 2.186 8.961 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.723 3.674 9.535 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.170 2.826 11.242 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.713 3.361 11.948 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.384 1.624 11.743 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.091 1.944 8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.299 0.685 9.269 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.576 1.840 7.944 1.00 0.00 H new ATOM 470 N GLY A 30 -8.866 5.771 10.016 1.00 0.00 N ATOM 471 CA GLY A 30 -8.253 7.085 10.111 1.00 0.00 C ATOM 472 C GLY A 30 -6.783 7.035 9.688 1.00 0.00 C ATOM 473 O GLY A 30 -5.947 7.737 10.253 1.00 0.00 O ATOM 0 H GLY A 30 -9.583 5.686 9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.794 7.789 9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.329 7.453 11.134 1.00 0.00 H new ATOM 477 N PHE A 31 -6.515 6.199 8.696 1.00 0.00 N ATOM 478 CA PHE A 31 -5.161 6.049 8.189 1.00 0.00 C ATOM 479 C PHE A 31 -4.300 7.258 8.561 1.00 0.00 C ATOM 480 O PHE A 31 -3.876 7.395 9.707 1.00 0.00 O ATOM 481 CB PHE A 31 -5.260 5.958 6.665 1.00 0.00 C ATOM 482 CG PHE A 31 -6.226 6.970 6.043 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.526 7.001 6.439 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.782 7.836 5.095 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.422 7.940 5.863 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.677 8.775 4.516 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.978 8.808 4.913 1.00 0.00 C ATOM 0 H PHE A 31 -7.212 5.618 8.230 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.699 5.161 8.620 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.269 6.107 6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.578 4.952 6.391 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.878 6.311 7.192 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.749 7.811 4.782 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.455 7.966 6.178 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.325 9.462 3.761 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.658 9.523 4.474 1.00 0.00 H new ATOM 497 N LYS A 32 -4.066 8.106 7.568 1.00 0.00 N ATOM 498 CA LYS A 32 -3.264 9.298 7.776 1.00 0.00 C ATOM 499 C LYS A 32 -3.482 10.264 6.610 1.00 0.00 C ATOM 500 O LYS A 32 -3.826 11.427 6.819 1.00 0.00 O ATOM 501 CB LYS A 32 -1.797 8.924 7.999 1.00 0.00 C ATOM 502 CG LYS A 32 -1.055 10.035 8.746 1.00 0.00 C ATOM 503 CD LYS A 32 -1.304 9.944 10.252 1.00 0.00 C ATOM 504 CE LYS A 32 -1.376 11.337 10.882 1.00 0.00 C ATOM 505 NZ LYS A 32 -1.771 11.241 12.305 1.00 0.00 N ATOM 0 H LYS A 32 -4.419 7.990 6.618 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.579 9.816 8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.737 7.996 8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.315 8.741 7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.014 9.962 8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.383 11.007 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.235 9.408 10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.506 9.369 10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.408 11.831 10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.094 11.952 10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.815 12.194 12.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.705 10.789 12.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.071 10.672 12.822 1.00 0.00 H new ATOM 519 N GLN A 33 -3.274 9.747 5.408 1.00 0.00 N ATOM 520 CA GLN A 33 -3.445 10.550 4.209 1.00 0.00 C ATOM 521 C GLN A 33 -3.725 9.650 3.004 1.00 0.00 C ATOM 522 O GLN A 33 -2.932 8.765 2.686 1.00 0.00 O ATOM 523 CB GLN A 33 -2.219 11.432 3.961 1.00 0.00 C ATOM 524 CG GLN A 33 -2.419 12.314 2.727 1.00 0.00 C ATOM 525 CD GLN A 33 -3.625 13.238 2.904 1.00 0.00 C ATOM 526 OE1 GLN A 33 -4.072 13.514 4.005 1.00 0.00 O ATOM 527 NE2 GLN A 33 -4.124 13.701 1.761 1.00 0.00 N ATOM 0 H GLN A 33 -2.989 8.782 5.239 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.302 11.208 4.354 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.034 12.058 4.834 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.337 10.806 3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.523 12.909 2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.563 11.687 1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.701 13.430 0.873 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.929 14.327 1.773 1.00 0.00 H new ATOM 536 N ILE A 34 -4.857 9.907 2.365 1.00 0.00 N ATOM 537 CA ILE A 34 -5.253 9.132 1.202 1.00 0.00 C ATOM 538 C ILE A 34 -4.810 9.863 -0.067 1.00 0.00 C ATOM 539 O ILE A 34 -5.326 10.933 -0.384 1.00 0.00 O ATOM 540 CB ILE A 34 -6.752 8.829 1.245 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.546 10.048 1.718 1.00 0.00 C ATOM 542 CG2 ILE A 34 -7.037 7.594 2.101 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.827 10.220 0.899 1.00 0.00 C ATOM 0 H ILE A 34 -5.513 10.642 2.631 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.755 8.162 1.203 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.083 8.603 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.797 9.936 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.931 10.944 1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.110 7.401 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.518 6.732 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.686 7.768 3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.372 11.094 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.571 10.356 -0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.451 9.333 1.009 1.00 0.00 H new ATOM 555 N THR A 35 -3.858 9.255 -0.760 1.00 0.00 N ATOM 556 CA THR A 35 -3.339 9.834 -1.988 1.00 0.00 C ATOM 557 C THR A 35 -3.460 8.836 -3.141 1.00 0.00 C ATOM 558 O THR A 35 -2.847 7.770 -3.112 1.00 0.00 O ATOM 559 CB THR A 35 -1.902 10.287 -1.726 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.017 11.690 -1.496 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.019 10.185 -2.971 1.00 0.00 C ATOM 0 H THR A 35 -3.432 8.367 -0.494 1.00 0.00 H new ATOM 0 HA THR A 35 -3.920 10.705 -2.291 1.00 0.00 H new ATOM 0 HB THR A 35 -1.472 9.684 -0.926 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.130 12.066 -1.316 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.010 10.519 -2.730 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.987 9.150 -3.311 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.430 10.814 -3.761 1.00 0.00 H new ATOM 569 N ALA A 36 -4.257 9.217 -4.129 1.00 0.00 N ATOM 570 CA ALA A 36 -4.467 8.369 -5.290 1.00 0.00 C ATOM 571 C ALA A 36 -4.134 9.157 -6.559 1.00 0.00 C ATOM 572 O ALA A 36 -4.438 10.345 -6.653 1.00 0.00 O ATOM 573 CB ALA A 36 -5.905 7.847 -5.289 1.00 0.00 C ATOM 0 H ALA A 36 -4.765 10.101 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.806 7.503 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.062 7.211 -6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.082 7.270 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.597 8.688 -5.324 1.00 0.00 H new ATOM 579 N ALA A 37 -3.514 8.464 -7.502 1.00 0.00 N ATOM 580 CA ALA A 37 -3.137 9.083 -8.761 1.00 0.00 C ATOM 581 C ALA A 37 -3.171 8.033 -9.873 1.00 0.00 C ATOM 582 O ALA A 37 -2.612 6.948 -9.723 1.00 0.00 O ATOM 583 CB ALA A 37 -1.761 9.736 -8.617 1.00 0.00 C ATOM 0 H ALA A 37 -3.263 7.479 -7.419 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.844 9.868 -9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.478 10.200 -9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.799 10.496 -7.836 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.025 8.978 -8.351 1.00 0.00 H new ATOM 589 N GLY A 38 -3.832 8.392 -10.963 1.00 0.00 N ATOM 590 CA GLY A 38 -3.946 7.494 -12.099 1.00 0.00 C ATOM 591 C GLY A 38 -3.971 6.033 -11.643 1.00 0.00 C ATOM 592 O GLY A 38 -5.036 5.484 -11.365 1.00 0.00 O ATOM 0 H GLY A 38 -4.294 9.293 -11.084 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.855 7.720 -12.656 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.108 7.653 -12.778 1.00 0.00 H new ATOM 596 N ASP A 39 -2.786 5.446 -11.580 1.00 0.00 N ATOM 597 CA ASP A 39 -2.657 4.060 -11.163 1.00 0.00 C ATOM 598 C ASP A 39 -1.348 3.883 -10.391 1.00 0.00 C ATOM 599 O ASP A 39 -0.666 4.861 -10.085 1.00 0.00 O ATOM 600 CB ASP A 39 -2.624 3.122 -12.371 1.00 0.00 C ATOM 601 CG ASP A 39 -3.805 2.154 -12.471 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.317 1.772 -11.397 1.00 0.00 O ATOM 603 OD2 ASP A 39 -4.169 1.820 -13.619 1.00 0.00 O ATOM 0 H ASP A 39 -1.905 5.905 -11.811 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.517 3.815 -10.539 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.590 3.724 -13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.701 2.543 -12.337 1.00 0.00 H new ATOM 608 N GLY A 40 -1.036 2.629 -10.098 1.00 0.00 N ATOM 609 CA GLY A 40 0.180 2.312 -9.368 1.00 0.00 C ATOM 610 C GLY A 40 1.342 3.194 -9.828 1.00 0.00 C ATOM 611 O GLY A 40 2.096 3.713 -9.006 1.00 0.00 O ATOM 0 H GLY A 40 -1.604 1.821 -10.353 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.014 2.451 -8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.434 1.263 -9.517 1.00 0.00 H new ATOM 615 N GLU A 41 1.452 3.335 -11.141 1.00 0.00 N ATOM 616 CA GLU A 41 2.510 4.145 -11.720 1.00 0.00 C ATOM 617 C GLU A 41 2.310 5.618 -11.357 1.00 0.00 C ATOM 618 O GLU A 41 3.200 6.247 -10.786 1.00 0.00 O ATOM 619 CB GLU A 41 2.575 3.959 -13.237 1.00 0.00 C ATOM 620 CG GLU A 41 3.516 2.812 -13.609 1.00 0.00 C ATOM 621 CD GLU A 41 4.085 3.002 -15.016 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.376 3.627 -15.834 1.00 0.00 O ATOM 623 OE2 GLU A 41 5.216 2.520 -15.241 1.00 0.00 O ATOM 0 H GLU A 41 0.826 2.902 -11.820 1.00 0.00 H new ATOM 0 HA GLU A 41 3.462 3.814 -11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.577 3.756 -13.625 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.917 4.882 -13.706 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.331 2.758 -12.888 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.979 1.865 -13.555 1.00 0.00 H new ATOM 630 N GLN A 42 1.137 6.126 -11.703 1.00 0.00 N ATOM 631 CA GLN A 42 0.808 7.513 -11.420 1.00 0.00 C ATOM 632 C GLN A 42 0.844 7.771 -9.912 1.00 0.00 C ATOM 633 O GLN A 42 1.420 8.760 -9.461 1.00 0.00 O ATOM 634 CB GLN A 42 -0.554 7.885 -12.008 1.00 0.00 C ATOM 635 CG GLN A 42 -0.554 9.324 -12.526 1.00 0.00 C ATOM 636 CD GLN A 42 -0.790 9.363 -14.037 1.00 0.00 C ATOM 637 OE1 GLN A 42 -0.990 8.349 -14.686 1.00 0.00 O ATOM 638 NE2 GLN A 42 -0.756 10.585 -14.560 1.00 0.00 N ATOM 0 H GLN A 42 0.402 5.602 -12.177 1.00 0.00 H new ATOM 0 HA GLN A 42 1.557 8.147 -11.895 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.802 7.202 -12.821 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.326 7.769 -11.248 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.330 9.897 -12.018 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.398 9.799 -12.291 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.584 11.392 -13.960 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.902 10.716 -15.561 1.00 0.00 H new ATOM 647 N GLY A 43 0.222 6.862 -9.174 1.00 0.00 N ATOM 648 CA GLY A 43 0.177 6.979 -7.727 1.00 0.00 C ATOM 649 C GLY A 43 1.569 6.802 -7.118 1.00 0.00 C ATOM 650 O GLY A 43 1.843 7.306 -6.030 1.00 0.00 O ATOM 0 H GLY A 43 -0.254 6.043 -9.551 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.223 7.954 -7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.500 6.229 -7.319 1.00 0.00 H new ATOM 654 N MET A 44 2.411 6.084 -7.846 1.00 0.00 N ATOM 655 CA MET A 44 3.768 5.834 -7.391 1.00 0.00 C ATOM 656 C MET A 44 4.601 7.117 -7.420 1.00 0.00 C ATOM 657 O MET A 44 5.228 7.477 -6.425 1.00 0.00 O ATOM 658 CB MET A 44 4.421 4.781 -8.288 1.00 0.00 C ATOM 659 CG MET A 44 5.938 4.979 -8.353 1.00 0.00 C ATOM 660 SD MET A 44 6.752 3.404 -8.546 1.00 0.00 S ATOM 661 CE MET A 44 7.595 3.679 -10.096 1.00 0.00 C ATOM 0 H MET A 44 2.180 5.667 -8.748 1.00 0.00 H new ATOM 0 HA MET A 44 3.726 5.473 -6.363 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.197 3.785 -7.907 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.000 4.841 -9.291 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.192 5.633 -9.187 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.288 5.470 -7.445 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.227 2.821 -10.324 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.861 3.810 -10.891 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.212 4.574 -10.021 1.00 0.00 H new ATOM 671 N LYS A 45 4.581 7.772 -8.571 1.00 0.00 N ATOM 672 CA LYS A 45 5.327 9.007 -8.743 1.00 0.00 C ATOM 673 C LYS A 45 4.674 10.113 -7.909 1.00 0.00 C ATOM 674 O LYS A 45 5.353 11.024 -7.440 1.00 0.00 O ATOM 675 CB LYS A 45 5.456 9.354 -10.228 1.00 0.00 C ATOM 676 CG LYS A 45 4.095 9.705 -10.829 1.00 0.00 C ATOM 677 CD LYS A 45 4.038 9.334 -12.313 1.00 0.00 C ATOM 678 CE LYS A 45 3.307 10.408 -13.121 1.00 0.00 C ATOM 679 NZ LYS A 45 3.758 10.394 -14.530 1.00 0.00 N ATOM 0 H LYS A 45 4.060 7.471 -9.394 1.00 0.00 H new ATOM 0 HA LYS A 45 6.347 8.889 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.139 10.194 -10.351 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.888 8.510 -10.766 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.308 9.179 -10.289 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.905 10.772 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.050 9.210 -12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.531 8.376 -12.433 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.232 10.236 -13.076 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.492 11.389 -12.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.252 11.129 -15.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.780 10.580 -14.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.559 9.463 -14.949 1.00 0.00 H new ATOM 693 N ILE A 46 3.364 9.994 -7.750 1.00 0.00 N ATOM 694 CA ILE A 46 2.612 10.970 -6.981 1.00 0.00 C ATOM 695 C ILE A 46 2.914 10.783 -5.493 1.00 0.00 C ATOM 696 O ILE A 46 2.998 11.757 -4.746 1.00 0.00 O ATOM 697 CB ILE A 46 1.123 10.889 -7.321 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.779 11.803 -8.498 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.263 11.187 -6.091 1.00 0.00 C ATOM 700 CD1 ILE A 46 1.414 11.294 -9.793 1.00 0.00 C ATOM 0 H ILE A 46 2.804 9.236 -8.141 1.00 0.00 H new ATOM 0 HA ILE A 46 2.921 11.982 -7.245 1.00 0.00 H new ATOM 0 HB ILE A 46 0.898 9.868 -7.631 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.303 11.857 -8.617 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.128 12.815 -8.291 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.791 11.123 -6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.483 10.460 -5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.484 12.190 -5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.153 11.963 -10.613 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.498 11.264 -9.680 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.044 10.292 -10.010 1.00 0.00 H new ATOM 712 N MET A 47 3.069 9.525 -5.106 1.00 0.00 N ATOM 713 CA MET A 47 3.360 9.199 -3.720 1.00 0.00 C ATOM 714 C MET A 47 4.825 9.488 -3.385 1.00 0.00 C ATOM 715 O MET A 47 5.121 10.095 -2.357 1.00 0.00 O ATOM 716 CB MET A 47 3.061 7.719 -3.471 1.00 0.00 C ATOM 717 CG MET A 47 4.028 7.130 -2.441 1.00 0.00 C ATOM 718 SD MET A 47 5.374 6.302 -3.271 1.00 0.00 S ATOM 719 CE MET A 47 4.518 4.864 -3.891 1.00 0.00 C ATOM 0 H MET A 47 2.999 8.720 -5.728 1.00 0.00 H new ATOM 0 HA MET A 47 2.732 9.819 -3.080 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.036 7.606 -3.119 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.140 7.166 -4.407 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.417 7.922 -1.801 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.501 6.428 -1.795 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.919 4.595 -4.868 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.656 4.032 -3.200 1.00 0.00 H new ATOM 0 HE3 MET A 47 3.455 5.085 -3.984 1.00 0.00 H new ATOM 729 N ALA A 48 5.702 9.040 -4.270 1.00 0.00 N ATOM 730 CA ALA A 48 7.128 9.242 -4.081 1.00 0.00 C ATOM 731 C ALA A 48 7.428 10.742 -4.074 1.00 0.00 C ATOM 732 O ALA A 48 8.202 11.220 -3.246 1.00 0.00 O ATOM 733 CB ALA A 48 7.899 8.499 -5.173 1.00 0.00 C ATOM 0 H ALA A 48 5.452 8.537 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 48 7.449 8.836 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.969 8.651 -5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.673 7.434 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.605 8.882 -6.150 1.00 0.00 H new ATOM 739 N GLN A 49 6.801 11.444 -5.006 1.00 0.00 N ATOM 740 CA GLN A 49 6.991 12.880 -5.118 1.00 0.00 C ATOM 741 C GLN A 49 6.753 13.554 -3.765 1.00 0.00 C ATOM 742 O GLN A 49 7.202 14.677 -3.539 1.00 0.00 O ATOM 743 CB GLN A 49 6.080 13.472 -6.194 1.00 0.00 C ATOM 744 CG GLN A 49 6.822 13.613 -7.525 1.00 0.00 C ATOM 745 CD GLN A 49 7.582 14.938 -7.592 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.594 15.724 -6.658 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.215 15.142 -8.744 1.00 0.00 N ATOM 0 H GLN A 49 6.160 11.044 -5.691 1.00 0.00 H new ATOM 0 HA GLN A 49 8.022 13.068 -5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.206 12.834 -6.327 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.717 14.448 -5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.519 12.784 -7.646 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.111 13.555 -8.349 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.164 14.443 -9.485 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.752 15.998 -8.886 1.00 0.00 H new ATOM 756 N ASN A 50 6.046 12.840 -2.901 1.00 0.00 N ATOM 757 CA ASN A 50 5.743 13.354 -1.577 1.00 0.00 C ATOM 758 C ASN A 50 5.951 12.246 -0.543 1.00 0.00 C ATOM 759 O ASN A 50 6.410 11.156 -0.881 1.00 0.00 O ATOM 760 CB ASN A 50 4.287 13.818 -1.487 1.00 0.00 C ATOM 761 CG ASN A 50 3.669 13.958 -2.879 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.285 14.443 -3.814 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.421 13.508 -2.964 1.00 0.00 N ATOM 0 H ASN A 50 5.674 11.910 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 50 6.404 14.199 -1.384 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.710 13.104 -0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.238 14.774 -0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.920 13.557 -3.851 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.964 13.114 -2.142 1.00 0.00 H new ATOM 770 N PRO A 51 5.593 12.572 0.728 1.00 0.00 N ATOM 771 CA PRO A 51 5.737 11.616 1.813 1.00 0.00 C ATOM 772 C PRO A 51 4.648 10.542 1.746 1.00 0.00 C ATOM 773 O PRO A 51 3.561 10.788 1.226 1.00 0.00 O ATOM 774 CB PRO A 51 5.670 12.448 3.082 1.00 0.00 C ATOM 775 CG PRO A 51 5.030 13.768 2.683 1.00 0.00 C ATOM 776 CD PRO A 51 5.047 13.853 1.165 1.00 0.00 C ATOM 0 HA PRO A 51 6.675 11.063 1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.081 11.944 3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.665 12.607 3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.008 13.825 3.057 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.576 14.605 3.119 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.045 14.013 0.766 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.663 14.684 0.822 1.00 0.00 H new ATOM 784 N HIS A 52 4.980 9.375 2.278 1.00 0.00 N ATOM 785 CA HIS A 52 4.043 8.263 2.285 1.00 0.00 C ATOM 786 C HIS A 52 4.597 7.132 3.153 1.00 0.00 C ATOM 787 O HIS A 52 5.803 7.052 3.380 1.00 0.00 O ATOM 788 CB HIS A 52 3.724 7.814 0.857 1.00 0.00 C ATOM 789 CG HIS A 52 4.780 6.926 0.242 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.015 7.401 -0.163 1.00 0.00 N ATOM 791 CD2 HIS A 52 4.773 5.590 -0.030 1.00 0.00 C ATOM 792 CE1 HIS A 52 6.710 6.388 -0.658 1.00 0.00 C ATOM 793 NE2 HIS A 52 5.939 5.266 -0.575 1.00 0.00 N ATOM 0 H HIS A 52 5.884 9.175 2.707 1.00 0.00 H new ATOM 0 HA HIS A 52 3.097 8.581 2.724 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.772 7.282 0.858 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.595 8.696 0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.957 4.910 0.165 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.712 6.441 -1.057 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.213 4.332 -0.881 1.00 0.00 H new ATOM 802 N HIS A 53 3.689 6.284 3.615 1.00 0.00 N ATOM 803 CA HIS A 53 4.071 5.160 4.452 1.00 0.00 C ATOM 804 C HIS A 53 3.155 3.971 4.165 1.00 0.00 C ATOM 805 O HIS A 53 3.125 3.006 4.928 1.00 0.00 O ATOM 806 CB HIS A 53 4.077 5.562 5.929 1.00 0.00 C ATOM 807 CG HIS A 53 4.411 4.430 6.871 1.00 0.00 C ATOM 808 ND1 HIS A 53 3.442 3.655 7.485 1.00 0.00 N ATOM 809 CD2 HIS A 53 5.615 3.951 7.298 1.00 0.00 C ATOM 810 CE1 HIS A 53 4.048 2.753 8.245 1.00 0.00 C ATOM 811 NE2 HIS A 53 5.393 2.939 8.128 1.00 0.00 N ATOM 0 H HIS A 53 2.689 6.353 3.425 1.00 0.00 H new ATOM 0 HA HIS A 53 5.090 4.853 4.214 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.798 6.366 6.073 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.097 5.962 6.190 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.584 4.331 7.010 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.561 2.003 8.850 1.00 0.00 H new ATOM 0 HE2 HIS A 53 6.111 2.391 8.601 1.00 0.00 H new ATOM 820 N LEU A 54 2.428 4.078 3.062 1.00 0.00 N ATOM 821 CA LEU A 54 1.511 3.022 2.665 1.00 0.00 C ATOM 822 C LEU A 54 1.274 3.100 1.155 1.00 0.00 C ATOM 823 O LEU A 54 1.023 4.178 0.619 1.00 0.00 O ATOM 824 CB LEU A 54 0.226 3.087 3.493 1.00 0.00 C ATOM 825 CG LEU A 54 0.073 2.020 4.578 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.179 2.637 5.974 1.00 0.00 C ATOM 827 CD2 LEU A 54 -1.227 1.235 4.395 1.00 0.00 C ATOM 0 H LEU A 54 2.455 4.879 2.431 1.00 0.00 H new ATOM 0 HA LEU A 54 1.945 2.044 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.171 4.068 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.624 3.012 2.815 1.00 0.00 H new ATOM 0 HG LEU A 54 0.894 1.311 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.067 1.856 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.153 3.114 6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.607 3.381 6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.311 0.483 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.075 1.917 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.222 0.745 3.421 1.00 0.00 H new ATOM 839 N VAL A 55 1.364 1.944 0.513 1.00 0.00 N ATOM 840 CA VAL A 55 1.162 1.868 -0.924 1.00 0.00 C ATOM 841 C VAL A 55 0.208 0.715 -1.239 1.00 0.00 C ATOM 842 O VAL A 55 0.635 -0.432 -1.363 1.00 0.00 O ATOM 843 CB VAL A 55 2.510 1.741 -1.635 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.343 1.850 -3.151 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.504 2.784 -1.117 1.00 0.00 C ATOM 0 H VAL A 55 1.574 1.052 0.962 1.00 0.00 H new ATOM 0 HA VAL A 55 0.700 2.783 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 55 2.914 0.753 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.317 1.756 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.686 1.054 -3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.907 2.817 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.454 2.672 -1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.108 3.784 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.658 2.640 -0.048 1.00 0.00 H new ATOM 855 N ILE A 56 -1.066 1.059 -1.362 1.00 0.00 N ATOM 856 CA ILE A 56 -2.084 0.066 -1.661 1.00 0.00 C ATOM 857 C ILE A 56 -2.662 0.338 -3.052 1.00 0.00 C ATOM 858 O ILE A 56 -2.918 1.488 -3.407 1.00 0.00 O ATOM 859 CB ILE A 56 -3.139 0.029 -0.554 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.385 0.818 -0.957 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.556 0.517 0.775 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.286 -0.011 -1.876 1.00 0.00 C ATOM 0 H ILE A 56 -1.416 2.012 -1.260 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.647 -0.932 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.447 -1.007 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.939 1.110 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.090 1.737 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.326 0.481 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.723 -0.124 1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.203 1.542 0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.165 0.574 -2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.736 -0.280 -2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.599 -0.917 -1.358 1.00 0.00 H new ATOM 874 N SER A 57 -2.849 -0.738 -3.801 1.00 0.00 N ATOM 875 CA SER A 57 -3.392 -0.631 -5.144 1.00 0.00 C ATOM 876 C SER A 57 -4.294 -1.829 -5.442 1.00 0.00 C ATOM 877 O SER A 57 -4.340 -2.784 -4.668 1.00 0.00 O ATOM 878 CB SER A 57 -2.273 -0.538 -6.184 1.00 0.00 C ATOM 879 OG SER A 57 -2.720 -0.912 -7.485 1.00 0.00 O ATOM 0 H SER A 57 -2.634 -1.689 -3.503 1.00 0.00 H new ATOM 0 HA SER A 57 -3.983 0.283 -5.202 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.888 0.481 -6.212 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.446 -1.183 -5.886 1.00 0.00 H new ATOM 0 HG SER A 57 -1.977 -0.838 -8.120 1.00 0.00 H new ATOM 885 N ASP A 58 -4.991 -1.740 -6.565 1.00 0.00 N ATOM 886 CA ASP A 58 -5.890 -2.805 -6.975 1.00 0.00 C ATOM 887 C ASP A 58 -5.193 -3.683 -8.017 1.00 0.00 C ATOM 888 O ASP A 58 -4.009 -3.502 -8.294 1.00 0.00 O ATOM 889 CB ASP A 58 -7.162 -2.239 -7.609 1.00 0.00 C ATOM 890 CG ASP A 58 -8.470 -2.782 -7.030 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.461 -3.119 -5.826 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.450 -2.846 -7.804 1.00 0.00 O ATOM 0 H ASP A 58 -4.951 -0.946 -7.204 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.155 -3.382 -6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.155 -1.155 -7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.141 -2.448 -8.678 1.00 0.00 H new ATOM 897 N PHE A 59 -5.958 -4.615 -8.565 1.00 0.00 N ATOM 898 CA PHE A 59 -5.429 -5.522 -9.570 1.00 0.00 C ATOM 899 C PHE A 59 -6.137 -5.326 -10.911 1.00 0.00 C ATOM 900 O PHE A 59 -6.057 -6.183 -11.791 1.00 0.00 O ATOM 901 CB PHE A 59 -5.690 -6.945 -9.071 1.00 0.00 C ATOM 902 CG PHE A 59 -7.084 -7.148 -8.473 1.00 0.00 C ATOM 903 CD1 PHE A 59 -8.125 -6.385 -8.901 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.281 -8.091 -7.513 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.419 -6.575 -8.346 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.575 -8.281 -6.959 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.616 -7.518 -7.387 1.00 0.00 C ATOM 0 H PHE A 59 -6.940 -4.762 -8.332 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.366 -5.333 -9.720 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.557 -7.640 -9.900 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.943 -7.198 -8.319 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.968 -5.635 -9.662 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.454 -8.695 -7.172 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.246 -5.970 -8.686 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.732 -9.031 -6.198 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.600 -7.661 -6.965 1.00 0.00 H new ATOM 917 N ASN A 60 -6.815 -4.194 -11.028 1.00 0.00 N ATOM 918 CA ASN A 60 -7.536 -3.875 -12.248 1.00 0.00 C ATOM 919 C ASN A 60 -6.561 -3.876 -13.427 1.00 0.00 C ATOM 920 O ASN A 60 -6.484 -4.852 -14.173 1.00 0.00 O ATOM 921 CB ASN A 60 -8.176 -2.489 -12.163 1.00 0.00 C ATOM 922 CG ASN A 60 -9.703 -2.589 -12.134 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.396 -2.161 -13.042 1.00 0.00 O ATOM 924 ND2 ASN A 60 -10.184 -3.174 -11.041 1.00 0.00 N ATOM 0 H ASN A 60 -6.880 -3.486 -10.297 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.316 -4.624 -12.384 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.825 -1.977 -11.267 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.864 -1.888 -13.017 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.191 -3.287 -10.924 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.546 -3.510 -10.319 1.00 0.00 H new ATOM 931 N MET A 61 -5.842 -2.772 -13.558 1.00 0.00 N ATOM 932 CA MET A 61 -4.875 -2.632 -14.635 1.00 0.00 C ATOM 933 C MET A 61 -3.831 -1.565 -14.299 1.00 0.00 C ATOM 934 O MET A 61 -3.562 -0.679 -15.107 1.00 0.00 O ATOM 935 CB MET A 61 -5.600 -2.249 -15.926 1.00 0.00 C ATOM 936 CG MET A 61 -6.360 -0.932 -15.758 1.00 0.00 C ATOM 937 SD MET A 61 -6.586 -0.150 -17.347 1.00 0.00 S ATOM 938 CE MET A 61 -5.396 1.174 -17.214 1.00 0.00 C ATOM 0 H MET A 61 -5.909 -1.966 -12.937 1.00 0.00 H new ATOM 0 HA MET A 61 -4.363 -3.586 -14.765 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.879 -2.156 -16.738 1.00 0.00 H new ATOM 0 HB3 MET A 61 -6.295 -3.041 -16.206 1.00 0.00 H new ATOM 0 HG2 MET A 61 -7.329 -1.118 -15.294 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.810 -0.268 -15.092 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.419 1.777 -18.122 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.643 1.800 -16.356 1.00 0.00 H new ATOM 0 HE3 MET A 61 -4.398 0.755 -17.082 1.00 0.00 H new ATOM 948 N PRO A 62 -3.257 -1.689 -13.072 1.00 0.00 N ATOM 949 CA PRO A 62 -2.248 -0.746 -12.620 1.00 0.00 C ATOM 950 C PRO A 62 -0.908 -1.002 -13.312 1.00 0.00 C ATOM 951 O PRO A 62 -0.503 -2.151 -13.482 1.00 0.00 O ATOM 952 CB PRO A 62 -2.184 -0.932 -11.113 1.00 0.00 C ATOM 953 CG PRO A 62 -2.815 -2.287 -10.833 1.00 0.00 C ATOM 954 CD PRO A 62 -3.550 -2.726 -12.088 1.00 0.00 C ATOM 0 HA PRO A 62 -2.494 0.286 -12.871 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.154 -0.900 -10.759 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.723 -0.136 -10.598 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.051 -3.016 -10.563 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.504 -2.221 -9.991 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.205 -3.703 -12.428 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.622 -2.811 -11.910 1.00 0.00 H new ATOM 962 N LYS A 63 -0.257 0.087 -13.693 1.00 0.00 N ATOM 963 CA LYS A 63 1.029 -0.004 -14.363 1.00 0.00 C ATOM 964 C LYS A 63 2.112 -0.338 -13.334 1.00 0.00 C ATOM 965 O LYS A 63 3.184 -0.822 -13.692 1.00 0.00 O ATOM 966 CB LYS A 63 1.310 1.270 -15.161 1.00 0.00 C ATOM 967 CG LYS A 63 0.473 1.313 -16.439 1.00 0.00 C ATOM 968 CD LYS A 63 0.777 0.108 -17.334 1.00 0.00 C ATOM 969 CE LYS A 63 0.564 0.454 -18.809 1.00 0.00 C ATOM 970 NZ LYS A 63 1.536 -0.272 -19.656 1.00 0.00 N ATOM 0 H LYS A 63 -0.597 1.038 -13.550 1.00 0.00 H new ATOM 0 HA LYS A 63 1.022 -0.813 -15.093 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.089 2.143 -14.548 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.369 1.318 -15.414 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.587 1.323 -16.184 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.679 2.235 -16.982 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.806 -0.216 -17.177 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.134 -0.727 -17.056 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.452 0.195 -19.107 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.675 1.528 -18.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.378 -0.026 -20.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.503 -0.004 -19.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.411 -1.296 -19.528 1.00 0.00 H new ATOM 984 N MET A 64 1.793 -0.066 -12.077 1.00 0.00 N ATOM 985 CA MET A 64 2.725 -0.332 -10.995 1.00 0.00 C ATOM 986 C MET A 64 2.015 -0.980 -9.805 1.00 0.00 C ATOM 987 O MET A 64 1.614 -0.292 -8.867 1.00 0.00 O ATOM 988 CB MET A 64 3.377 0.979 -10.549 1.00 0.00 C ATOM 989 CG MET A 64 4.865 0.781 -10.257 1.00 0.00 C ATOM 990 SD MET A 64 5.785 0.724 -11.786 1.00 0.00 S ATOM 991 CE MET A 64 7.385 0.230 -11.168 1.00 0.00 C ATOM 0 H MET A 64 0.902 0.336 -11.784 1.00 0.00 H new ATOM 0 HA MET A 64 3.486 -1.022 -11.358 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.253 1.734 -11.326 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.875 1.354 -9.657 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.233 1.595 -9.632 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.015 -0.143 -9.698 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.164 0.623 -11.821 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.523 0.623 -10.161 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.446 -0.858 -11.144 1.00 0.00 H new ATOM 1001 N ASP A 65 1.880 -2.296 -9.882 1.00 0.00 N ATOM 1002 CA ASP A 65 1.225 -3.044 -8.823 1.00 0.00 C ATOM 1003 C ASP A 65 2.177 -3.178 -7.634 1.00 0.00 C ATOM 1004 O ASP A 65 3.346 -2.801 -7.723 1.00 0.00 O ATOM 1005 CB ASP A 65 0.854 -4.452 -9.292 1.00 0.00 C ATOM 1006 CG ASP A 65 0.102 -5.300 -8.264 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -0.991 -4.855 -7.852 1.00 0.00 O ATOM 1008 OD2 ASP A 65 0.638 -6.373 -7.912 1.00 0.00 O ATOM 0 H ASP A 65 2.213 -2.863 -10.662 1.00 0.00 H new ATOM 0 HA ASP A 65 0.319 -2.507 -8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.242 -4.370 -10.190 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.767 -4.976 -9.575 1.00 0.00 H new ATOM 1013 N GLY A 66 1.644 -3.716 -6.546 1.00 0.00 N ATOM 1014 CA GLY A 66 2.433 -3.904 -5.341 1.00 0.00 C ATOM 1015 C GLY A 66 3.884 -4.251 -5.683 1.00 0.00 C ATOM 1016 O GLY A 66 4.808 -3.558 -5.257 1.00 0.00 O ATOM 0 H GLY A 66 0.675 -4.027 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.405 -2.996 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.998 -4.701 -4.738 1.00 0.00 H new ATOM 1020 N LEU A 67 4.039 -5.321 -6.449 1.00 0.00 N ATOM 1021 CA LEU A 67 5.361 -5.766 -6.853 1.00 0.00 C ATOM 1022 C LEU A 67 6.078 -4.628 -7.579 1.00 0.00 C ATOM 1023 O LEU A 67 7.252 -4.363 -7.321 1.00 0.00 O ATOM 1024 CB LEU A 67 5.265 -7.055 -7.672 1.00 0.00 C ATOM 1025 CG LEU A 67 4.647 -8.259 -6.958 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.312 -9.562 -7.406 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.698 -8.082 -5.440 1.00 0.00 C ATOM 0 H LEU A 67 3.271 -5.892 -6.800 1.00 0.00 H new ATOM 0 HA LEU A 67 5.963 -6.015 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.680 -6.850 -8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.267 -7.328 -8.001 1.00 0.00 H new ATOM 0 HG LEU A 67 3.596 -8.320 -7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.855 -10.402 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.180 -9.687 -8.481 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.376 -9.526 -7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.252 -8.952 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.735 -7.981 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.143 -7.187 -5.159 1.00 0.00 H new ATOM 1039 N GLY A 68 5.343 -3.984 -8.475 1.00 0.00 N ATOM 1040 CA GLY A 68 5.896 -2.880 -9.241 1.00 0.00 C ATOM 1041 C GLY A 68 6.400 -1.769 -8.317 1.00 0.00 C ATOM 1042 O GLY A 68 7.446 -1.173 -8.570 1.00 0.00 O ATOM 0 H GLY A 68 4.370 -4.206 -8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.715 -3.239 -9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.136 -2.482 -9.913 1.00 0.00 H new ATOM 1046 N LEU A 69 5.632 -1.524 -7.265 1.00 0.00 N ATOM 1047 CA LEU A 69 5.987 -0.495 -6.303 1.00 0.00 C ATOM 1048 C LEU A 69 7.280 -0.895 -5.590 1.00 0.00 C ATOM 1049 O LEU A 69 8.181 -0.073 -5.424 1.00 0.00 O ATOM 1050 CB LEU A 69 4.820 -0.225 -5.351 1.00 0.00 C ATOM 1051 CG LEU A 69 3.735 0.720 -5.872 1.00 0.00 C ATOM 1052 CD1 LEU A 69 3.998 2.157 -5.421 1.00 0.00 C ATOM 1053 CD2 LEU A 69 3.598 0.612 -7.392 1.00 0.00 C ATOM 0 H LEU A 69 4.765 -2.021 -7.058 1.00 0.00 H new ATOM 0 HA LEU A 69 6.180 0.450 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.354 -1.178 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.220 0.188 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 69 2.781 0.417 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.213 2.808 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.006 2.201 -4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.963 2.488 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.820 1.294 -7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.546 0.875 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.330 -0.410 -7.662 1.00 0.00 H new ATOM 1065 N LEU A 70 7.333 -2.157 -5.189 1.00 0.00 N ATOM 1066 CA LEU A 70 8.500 -2.675 -4.498 1.00 0.00 C ATOM 1067 C LEU A 70 9.735 -2.492 -5.384 1.00 0.00 C ATOM 1068 O LEU A 70 10.793 -2.086 -4.905 1.00 0.00 O ATOM 1069 CB LEU A 70 8.266 -4.123 -4.062 1.00 0.00 C ATOM 1070 CG LEU A 70 9.444 -5.081 -4.255 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.492 -5.607 -5.691 1.00 0.00 C ATOM 1072 CD2 LEU A 70 10.761 -4.421 -3.843 1.00 0.00 C ATOM 0 H LEU A 70 6.585 -2.836 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 70 8.679 -2.115 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.992 -4.124 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.411 -4.514 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 70 9.296 -5.940 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.338 -6.285 -5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.568 -6.140 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.605 -4.771 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.582 -5.123 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.929 -3.533 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.712 -4.135 -2.792 1.00 0.00 H new ATOM 1084 N GLN A 71 9.558 -2.801 -6.661 1.00 0.00 N ATOM 1085 CA GLN A 71 10.644 -2.675 -7.618 1.00 0.00 C ATOM 1086 C GLN A 71 11.133 -1.228 -7.679 1.00 0.00 C ATOM 1087 O GLN A 71 12.327 -0.977 -7.842 1.00 0.00 O ATOM 1088 CB GLN A 71 10.215 -3.168 -9.002 1.00 0.00 C ATOM 1089 CG GLN A 71 10.496 -4.664 -9.162 1.00 0.00 C ATOM 1090 CD GLN A 71 11.173 -4.953 -10.504 1.00 0.00 C ATOM 1091 OE1 GLN A 71 12.365 -4.764 -10.680 1.00 0.00 O ATOM 1092 NE2 GLN A 71 10.348 -5.419 -11.436 1.00 0.00 N ATOM 0 H GLN A 71 8.679 -3.138 -7.054 1.00 0.00 H new ATOM 0 HA GLN A 71 11.470 -3.303 -7.285 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.152 -2.976 -9.147 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.747 -2.610 -9.772 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.134 -5.007 -8.347 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.563 -5.223 -9.093 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.360 -5.554 -11.221 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.703 -5.642 -12.366 1.00 0.00 H new ATOM 1101 N ALA A 72 10.186 -0.310 -7.545 1.00 0.00 N ATOM 1102 CA ALA A 72 10.506 1.107 -7.584 1.00 0.00 C ATOM 1103 C ALA A 72 11.311 1.477 -6.337 1.00 0.00 C ATOM 1104 O ALA A 72 12.317 2.181 -6.429 1.00 0.00 O ATOM 1105 CB ALA A 72 9.214 1.918 -7.706 1.00 0.00 C ATOM 0 H ALA A 72 9.197 -0.520 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 72 11.120 1.339 -8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.453 2.981 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.694 1.638 -8.622 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.574 1.714 -6.848 1.00 0.00 H new ATOM 1111 N VAL A 73 10.840 0.987 -5.200 1.00 0.00 N ATOM 1112 CA VAL A 73 11.504 1.258 -3.936 1.00 0.00 C ATOM 1113 C VAL A 73 12.968 0.821 -4.030 1.00 0.00 C ATOM 1114 O VAL A 73 13.850 1.470 -3.470 1.00 0.00 O ATOM 1115 CB VAL A 73 10.750 0.577 -2.792 1.00 0.00 C ATOM 1116 CG1 VAL A 73 9.236 0.703 -2.982 1.00 0.00 C ATOM 1117 CG2 VAL A 73 11.165 -0.889 -2.657 1.00 0.00 C ATOM 0 H VAL A 73 10.006 0.404 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 73 11.496 2.327 -3.722 1.00 0.00 H new ATOM 0 HB VAL A 73 11.016 1.087 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.723 0.211 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.959 1.757 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.947 0.231 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.614 -1.349 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.943 -1.417 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.234 -0.947 -2.454 1.00 0.00 H new ATOM 1127 N ARG A 74 13.180 -0.275 -4.742 1.00 0.00 N ATOM 1128 CA ARG A 74 14.522 -0.806 -4.917 1.00 0.00 C ATOM 1129 C ARG A 74 15.418 0.231 -5.597 1.00 0.00 C ATOM 1130 O ARG A 74 16.643 0.150 -5.510 1.00 0.00 O ATOM 1131 CB ARG A 74 14.503 -2.085 -5.757 1.00 0.00 C ATOM 1132 CG ARG A 74 14.351 -3.322 -4.870 1.00 0.00 C ATOM 1133 CD ARG A 74 15.234 -4.467 -5.371 1.00 0.00 C ATOM 1134 NE ARG A 74 14.519 -5.239 -6.412 1.00 0.00 N ATOM 1135 CZ ARG A 74 15.127 -5.997 -7.335 1.00 0.00 C ATOM 1136 NH1 ARG A 74 16.463 -6.090 -7.352 1.00 0.00 N ATOM 1137 NH2 ARG A 74 14.398 -6.662 -8.242 1.00 0.00 N ATOM 0 H ARG A 74 12.446 -0.811 -5.205 1.00 0.00 H new ATOM 0 HA ARG A 74 14.918 -1.041 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.681 -2.043 -6.472 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.424 -2.158 -6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.620 -3.073 -3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.308 -3.640 -4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 74 16.164 -4.069 -5.776 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.502 -5.121 -4.541 1.00 0.00 H new ATOM 0 HE ARG A 74 13.500 -5.191 -6.428 1.00 0.00 H new ATOM 0 HH11 ARG A 74 17.018 -5.584 -6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.925 -6.667 -8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.381 -6.591 -8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.861 -7.239 -8.945 1.00 0.00 H new ATOM 1151 N ALA A 75 14.773 1.180 -6.259 1.00 0.00 N ATOM 1152 CA ALA A 75 15.497 2.231 -6.953 1.00 0.00 C ATOM 1153 C ALA A 75 15.477 3.505 -6.106 1.00 0.00 C ATOM 1154 O ALA A 75 16.343 4.366 -6.252 1.00 0.00 O ATOM 1155 CB ALA A 75 14.884 2.444 -8.339 1.00 0.00 C ATOM 0 H ALA A 75 13.757 1.243 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 75 16.540 1.947 -7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.427 3.233 -8.860 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.949 1.519 -8.912 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.838 2.732 -8.234 1.00 0.00 H new ATOM 1161 N ASN A 76 14.479 3.583 -5.237 1.00 0.00 N ATOM 1162 CA ASN A 76 14.334 4.737 -4.366 1.00 0.00 C ATOM 1163 C ASN A 76 14.090 4.261 -2.932 1.00 0.00 C ATOM 1164 O ASN A 76 13.053 3.668 -2.641 1.00 0.00 O ATOM 1165 CB ASN A 76 13.143 5.600 -4.788 1.00 0.00 C ATOM 1166 CG ASN A 76 13.450 7.087 -4.603 1.00 0.00 C ATOM 1167 OD1 ASN A 76 14.553 7.553 -4.840 1.00 0.00 O ATOM 1168 ND2 ASN A 76 12.418 7.802 -4.168 1.00 0.00 N ATOM 0 H ASN A 76 13.763 2.866 -5.118 1.00 0.00 H new ATOM 0 HA ASN A 76 15.248 5.327 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.898 5.403 -5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.267 5.330 -4.199 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.522 8.805 -4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.522 7.348 -3.990 1.00 0.00 H new ATOM 1175 N PRO A 77 15.088 4.545 -2.054 1.00 0.00 N ATOM 1176 CA PRO A 77 14.991 4.153 -0.659 1.00 0.00 C ATOM 1177 C PRO A 77 14.019 5.058 0.100 1.00 0.00 C ATOM 1178 O PRO A 77 13.720 4.815 1.268 1.00 0.00 O ATOM 1179 CB PRO A 77 16.413 4.232 -0.128 1.00 0.00 C ATOM 1180 CG PRO A 77 17.176 5.108 -1.109 1.00 0.00 C ATOM 1181 CD PRO A 77 16.331 5.246 -2.365 1.00 0.00 C ATOM 0 HA PRO A 77 14.587 3.148 -0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.432 4.660 0.874 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.860 3.240 -0.060 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.374 6.087 -0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 77 18.143 4.663 -1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 77 16.146 6.293 -2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.829 4.805 -3.228 1.00 0.00 H new ATOM 1189 N ALA A 78 13.552 6.084 -0.596 1.00 0.00 N ATOM 1190 CA ALA A 78 12.619 7.028 -0.003 1.00 0.00 C ATOM 1191 C ALA A 78 11.264 6.346 0.190 1.00 0.00 C ATOM 1192 O ALA A 78 10.526 6.674 1.119 1.00 0.00 O ATOM 1193 CB ALA A 78 12.524 8.275 -0.885 1.00 0.00 C ATOM 0 H ALA A 78 13.802 6.283 -1.565 1.00 0.00 H new ATOM 0 HA ALA A 78 12.969 7.349 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.824 8.983 -0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.507 8.739 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.173 7.993 -1.878 1.00 0.00 H new ATOM 1199 N THR A 79 10.977 5.408 -0.701 1.00 0.00 N ATOM 1200 CA THR A 79 9.723 4.677 -0.640 1.00 0.00 C ATOM 1201 C THR A 79 9.959 3.255 -0.125 1.00 0.00 C ATOM 1202 O THR A 79 9.044 2.433 -0.120 1.00 0.00 O ATOM 1203 CB THR A 79 9.081 4.721 -2.028 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.783 4.166 -1.829 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.750 3.761 -3.014 1.00 0.00 C ATOM 0 H THR A 79 11.591 5.138 -1.469 1.00 0.00 H new ATOM 0 HA THR A 79 9.033 5.136 0.068 1.00 0.00 H new ATOM 0 HB THR A 79 9.133 5.737 -2.419 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.849 3.381 -1.246 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.256 3.832 -3.983 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.802 4.026 -3.123 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.669 2.740 -2.640 1.00 0.00 H new ATOM 1213 N LYS A 80 11.192 3.010 0.295 1.00 0.00 N ATOM 1214 CA LYS A 80 11.559 1.703 0.810 1.00 0.00 C ATOM 1215 C LYS A 80 11.031 1.554 2.238 1.00 0.00 C ATOM 1216 O LYS A 80 11.114 0.477 2.826 1.00 0.00 O ATOM 1217 CB LYS A 80 13.068 1.483 0.687 1.00 0.00 C ATOM 1218 CG LYS A 80 13.824 2.242 1.781 1.00 0.00 C ATOM 1219 CD LYS A 80 14.396 1.277 2.821 1.00 0.00 C ATOM 1220 CE LYS A 80 15.872 0.985 2.545 1.00 0.00 C ATOM 1221 NZ LYS A 80 16.653 1.023 3.802 1.00 0.00 N ATOM 0 H LYS A 80 11.948 3.694 0.289 1.00 0.00 H new ATOM 0 HA LYS A 80 11.095 0.916 0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.291 0.418 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.409 1.816 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.632 2.822 1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.153 2.951 2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.286 1.704 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.829 0.346 2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.973 0.006 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.268 1.717 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.652 0.823 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.571 1.966 4.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.285 0.307 4.461 1.00 0.00 H new ATOM 1235 N LYS A 81 10.499 2.652 2.755 1.00 0.00 N ATOM 1236 CA LYS A 81 9.957 2.657 4.103 1.00 0.00 C ATOM 1237 C LYS A 81 8.429 2.703 4.034 1.00 0.00 C ATOM 1238 O LYS A 81 7.763 2.882 5.052 1.00 0.00 O ATOM 1239 CB LYS A 81 10.569 3.795 4.922 1.00 0.00 C ATOM 1240 CG LYS A 81 10.019 5.151 4.475 1.00 0.00 C ATOM 1241 CD LYS A 81 11.102 6.230 4.534 1.00 0.00 C ATOM 1242 CE LYS A 81 10.554 7.525 5.135 1.00 0.00 C ATOM 1243 NZ LYS A 81 11.635 8.285 5.802 1.00 0.00 N ATOM 0 H LYS A 81 10.432 3.544 2.265 1.00 0.00 H new ATOM 0 HA LYS A 81 10.226 1.738 4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.354 3.643 5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.653 3.784 4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.633 5.073 3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.182 5.436 5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.942 5.875 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.483 6.423 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.103 8.134 4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.767 7.295 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.253 9.177 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.024 7.721 6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.389 8.491 5.116 1.00 0.00 H new ATOM 1257 N ALA A 82 7.918 2.540 2.823 1.00 0.00 N ATOM 1258 CA ALA A 82 6.481 2.560 2.607 1.00 0.00 C ATOM 1259 C ALA A 82 5.983 1.131 2.381 1.00 0.00 C ATOM 1260 O ALA A 82 6.515 0.411 1.538 1.00 0.00 O ATOM 1261 CB ALA A 82 6.154 3.484 1.432 1.00 0.00 C ATOM 0 H ALA A 82 8.474 2.393 1.980 1.00 0.00 H new ATOM 0 HA ALA A 82 5.967 2.953 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.076 3.499 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.502 4.493 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.651 3.119 0.533 1.00 0.00 H new ATOM 1267 N ALA A 83 4.969 0.764 3.149 1.00 0.00 N ATOM 1268 CA ALA A 83 4.393 -0.566 3.043 1.00 0.00 C ATOM 1269 C ALA A 83 3.276 -0.551 1.997 1.00 0.00 C ATOM 1270 O ALA A 83 2.318 0.211 2.117 1.00 0.00 O ATOM 1271 CB ALA A 83 3.897 -1.019 4.418 1.00 0.00 C ATOM 0 H ALA A 83 4.531 1.364 3.848 1.00 0.00 H new ATOM 0 HA ALA A 83 5.144 -1.284 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.465 -2.017 4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.733 -1.040 5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.139 -0.323 4.779 1.00 0.00 H new ATOM 1277 N PHE A 84 3.436 -1.404 0.996 1.00 0.00 N ATOM 1278 CA PHE A 84 2.454 -1.499 -0.071 1.00 0.00 C ATOM 1279 C PHE A 84 1.491 -2.664 0.172 1.00 0.00 C ATOM 1280 O PHE A 84 1.872 -3.676 0.757 1.00 0.00 O ATOM 1281 CB PHE A 84 3.225 -1.753 -1.368 1.00 0.00 C ATOM 1282 CG PHE A 84 4.745 -1.723 -1.204 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.386 -0.537 -1.021 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.456 -2.882 -1.241 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.798 -0.509 -0.869 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.868 -2.854 -1.089 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.509 -1.668 -0.906 1.00 0.00 C ATOM 0 H PHE A 84 4.231 -2.036 0.901 1.00 0.00 H new ATOM 0 HA PHE A 84 1.868 -0.581 -0.119 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.932 -2.724 -1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.934 -1.003 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.821 0.383 -0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.947 -3.823 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.307 0.432 -0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.433 -3.774 -1.119 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.583 -1.647 -0.790 1.00 0.00 H new ATOM 1297 N ILE A 85 0.263 -2.480 -0.288 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.757 -3.503 -0.128 1.00 0.00 C ATOM 1299 C ILE A 85 -1.268 -3.927 -1.506 1.00 0.00 C ATOM 1300 O ILE A 85 -1.524 -3.085 -2.364 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.861 -3.016 0.814 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.652 -3.558 2.229 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.244 -3.365 0.263 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -2.949 -4.147 2.787 1.00 0.00 C ATOM 0 H ILE A 85 -0.049 -1.638 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.336 -4.391 0.344 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.805 -1.929 0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.876 -4.323 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.302 -2.758 2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.010 -3.008 0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.379 -2.890 -0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.330 -4.446 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.773 -4.525 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.716 -3.373 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.283 -4.963 2.146 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.402 -5.235 -1.675 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.878 -5.782 -2.934 1.00 0.00 C ATOM 1318 C ILE A 86 -2.921 -6.865 -2.652 1.00 0.00 C ATOM 1319 O ILE A 86 -2.596 -7.919 -2.108 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.703 -6.267 -3.785 1.00 0.00 C ATOM 1321 CG1 ILE A 86 0.552 -6.460 -2.930 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -0.454 -5.324 -4.964 1.00 0.00 C ATOM 1323 CD1 ILE A 86 1.628 -7.226 -3.701 1.00 0.00 C ATOM 0 H ILE A 86 -1.189 -5.931 -0.961 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.371 -5.009 -3.523 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.962 -7.241 -4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.941 -5.489 -2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.296 -7.002 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.386 -5.692 -5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.345 -5.282 -5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.226 -4.326 -4.590 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.509 -7.349 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.244 -8.206 -3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.899 -6.669 -4.598 1.00 0.00 H new ATOM 1335 N LEU A 87 -4.154 -6.568 -3.036 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.248 -7.503 -2.832 1.00 0.00 C ATOM 1337 C LEU A 87 -5.471 -8.307 -4.114 1.00 0.00 C ATOM 1338 O LEU A 87 -5.577 -7.737 -5.198 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.496 -6.768 -2.341 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.656 -6.678 -3.336 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -7.236 -5.926 -4.600 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.215 -8.066 -3.653 1.00 0.00 C ATOM 0 H LEU A 87 -4.420 -5.693 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.998 -8.217 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.855 -7.264 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.209 -5.756 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.460 -6.106 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.078 -5.876 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.923 -4.916 -4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.407 -6.449 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.038 -7.974 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.429 -8.684 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.577 -8.531 -2.736 1.00 0.00 H new ATOM 1354 N THR A 88 -5.536 -9.620 -3.947 1.00 0.00 N ATOM 1355 CA THR A 88 -5.745 -10.508 -5.077 1.00 0.00 C ATOM 1356 C THR A 88 -6.459 -11.785 -4.627 1.00 0.00 C ATOM 1357 O THR A 88 -6.471 -12.108 -3.440 1.00 0.00 O ATOM 1358 CB THR A 88 -4.387 -10.769 -5.731 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.599 -11.940 -6.516 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.320 -11.188 -4.718 1.00 0.00 C ATOM 0 H THR A 88 -5.448 -10.090 -3.046 1.00 0.00 H new ATOM 0 HA THR A 88 -6.398 -10.053 -5.822 1.00 0.00 H new ATOM 0 HB THR A 88 -4.058 -9.871 -6.254 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.862 -12.044 -7.154 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.376 -11.361 -5.235 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.190 -10.398 -3.979 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.633 -12.105 -4.218 1.00 0.00 H new ATOM 1368 N ALA A 89 -7.035 -12.477 -5.599 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.748 -13.711 -5.318 1.00 0.00 C ATOM 1370 C ALA A 89 -6.740 -14.848 -5.136 1.00 0.00 C ATOM 1371 O ALA A 89 -6.980 -15.971 -5.576 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.747 -13.992 -6.442 1.00 0.00 C ATOM 0 H ALA A 89 -7.022 -12.206 -6.582 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.316 -13.623 -4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.282 -14.918 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.459 -13.169 -6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.213 -14.089 -7.387 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.633 -14.517 -4.488 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.588 -15.495 -4.243 1.00 0.00 C ATOM 1380 C GLN A 90 -4.275 -15.575 -2.747 1.00 0.00 C ATOM 1381 O GLN A 90 -4.402 -16.636 -2.139 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.329 -15.168 -5.050 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.509 -15.542 -6.522 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.774 -14.300 -7.375 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -2.924 -13.441 -7.549 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -4.997 -14.251 -7.895 1.00 0.00 N ATOM 0 H GLN A 90 -5.437 -13.584 -4.125 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.947 -16.470 -4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.105 -14.105 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.477 -15.707 -4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.616 -16.052 -6.883 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.339 -16.242 -6.624 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.660 -15.003 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.272 -13.461 -8.479 1.00 0.00 H new ATOM 1395 N GLY A 91 -3.872 -14.439 -2.198 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.541 -14.366 -0.786 1.00 0.00 C ATOM 1397 C GLY A 91 -2.694 -15.568 -0.360 1.00 0.00 C ATOM 1398 O GLY A 91 -3.189 -16.474 0.308 1.00 0.00 O ATOM 0 H GLY A 91 -3.767 -13.561 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.998 -13.443 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.456 -14.333 -0.195 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.432 -15.535 -0.762 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.512 -16.609 -0.430 1.00 0.00 C ATOM 1404 C ASP A 92 0.730 -16.022 0.243 1.00 0.00 C ATOM 1405 O ASP A 92 1.428 -15.196 -0.344 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.060 -17.355 -1.687 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.445 -18.836 -1.734 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -1.348 -19.213 -0.956 1.00 0.00 O ATOM 1409 OD2 ASP A 92 0.173 -19.557 -2.547 1.00 0.00 O ATOM 0 H ASP A 92 -1.025 -14.781 -1.315 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.028 -17.301 0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.484 -16.857 -2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.024 -17.274 -1.769 1.00 0.00 H new ATOM 1414 N ARG A 93 0.968 -16.471 1.467 1.00 0.00 N ATOM 1415 CA ARG A 93 2.114 -16.000 2.227 1.00 0.00 C ATOM 1416 C ARG A 93 3.405 -16.224 1.435 1.00 0.00 C ATOM 1417 O ARG A 93 4.392 -15.519 1.638 1.00 0.00 O ATOM 1418 CB ARG A 93 2.218 -16.721 3.571 1.00 0.00 C ATOM 1419 CG ARG A 93 0.841 -16.871 4.221 1.00 0.00 C ATOM 1420 CD ARG A 93 0.337 -18.312 4.113 1.00 0.00 C ATOM 1421 NE ARG A 93 0.493 -19.002 5.413 1.00 0.00 N ATOM 1422 CZ ARG A 93 -0.123 -20.148 5.734 1.00 0.00 C ATOM 1423 NH1 ARG A 93 -0.940 -20.740 4.852 1.00 0.00 N ATOM 1424 NH2 ARG A 93 0.077 -20.701 6.937 1.00 0.00 N ATOM 0 H ARG A 93 0.387 -17.156 1.951 1.00 0.00 H new ATOM 0 HA ARG A 93 1.975 -14.934 2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.665 -17.705 3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.879 -16.165 4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.896 -16.579 5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.132 -16.197 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.711 -18.318 3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.893 -18.844 3.341 1.00 0.00 H new ATOM 0 HE ARG A 93 1.108 -18.579 6.108 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.093 -20.318 3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.409 -21.612 5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.698 -20.250 7.609 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.392 -21.573 7.182 1.00 0.00 H new ATOM 1438 N ALA A 94 3.354 -17.206 0.548 1.00 0.00 N ATOM 1439 CA ALA A 94 4.507 -17.532 -0.275 1.00 0.00 C ATOM 1440 C ALA A 94 4.877 -16.318 -1.128 1.00 0.00 C ATOM 1441 O ALA A 94 6.041 -15.925 -1.183 1.00 0.00 O ATOM 1442 CB ALA A 94 4.196 -18.767 -1.123 1.00 0.00 C ATOM 0 H ALA A 94 2.533 -17.787 0.381 1.00 0.00 H new ATOM 0 HA ALA A 94 5.368 -17.773 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.060 -19.012 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.967 -19.609 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.339 -18.562 -1.764 1.00 0.00 H new ATOM 1448 N LEU A 95 3.865 -15.756 -1.773 1.00 0.00 N ATOM 1449 CA LEU A 95 4.070 -14.594 -2.621 1.00 0.00 C ATOM 1450 C LEU A 95 4.466 -13.398 -1.753 1.00 0.00 C ATOM 1451 O LEU A 95 5.276 -12.569 -2.165 1.00 0.00 O ATOM 1452 CB LEU A 95 2.837 -14.341 -3.491 1.00 0.00 C ATOM 1453 CG LEU A 95 2.899 -14.887 -4.919 1.00 0.00 C ATOM 1454 CD1 LEU A 95 1.967 -16.088 -5.089 1.00 0.00 C ATOM 1455 CD2 LEU A 95 2.608 -13.786 -5.940 1.00 0.00 C ATOM 0 H LEU A 95 2.900 -16.084 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 95 4.891 -14.770 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.971 -14.777 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.667 -13.265 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 95 3.914 -15.239 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.031 -16.456 -6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.263 -16.879 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.942 -15.786 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.658 -14.201 -6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.612 -13.381 -5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.346 -12.991 -5.838 1.00 0.00 H new ATOM 1467 N VAL A 96 3.877 -13.347 -0.567 1.00 0.00 N ATOM 1468 CA VAL A 96 4.158 -12.267 0.362 1.00 0.00 C ATOM 1469 C VAL A 96 5.643 -12.289 0.730 1.00 0.00 C ATOM 1470 O VAL A 96 6.307 -11.254 0.705 1.00 0.00 O ATOM 1471 CB VAL A 96 3.239 -12.373 1.581 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.496 -11.226 2.561 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.769 -12.413 1.158 1.00 0.00 C ATOM 0 H VAL A 96 3.206 -14.037 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 96 3.952 -11.302 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 96 3.466 -13.309 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.830 -11.324 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.532 -11.262 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.309 -10.274 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.138 -12.488 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.522 -11.502 0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.599 -13.277 0.516 1.00 0.00 H new ATOM 1483 N GLN A 97 6.120 -13.480 1.061 1.00 0.00 N ATOM 1484 CA GLN A 97 7.514 -13.651 1.433 1.00 0.00 C ATOM 1485 C GLN A 97 8.412 -13.515 0.201 1.00 0.00 C ATOM 1486 O GLN A 97 9.555 -13.074 0.307 1.00 0.00 O ATOM 1487 CB GLN A 97 7.735 -14.996 2.128 1.00 0.00 C ATOM 1488 CG GLN A 97 8.920 -14.925 3.092 1.00 0.00 C ATOM 1489 CD GLN A 97 8.820 -16.013 4.164 1.00 0.00 C ATOM 1490 OE1 GLN A 97 9.467 -17.045 4.100 1.00 0.00 O ATOM 1491 NE2 GLN A 97 7.974 -15.725 5.149 1.00 0.00 N ATOM 0 H GLN A 97 5.566 -14.336 1.079 1.00 0.00 H new ATOM 0 HA GLN A 97 7.780 -12.866 2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.835 -15.280 2.673 1.00 0.00 H new ATOM 0 HB3 GLN A 97 7.914 -15.770 1.382 1.00 0.00 H new ATOM 0 HG2 GLN A 97 9.852 -15.040 2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.950 -13.944 3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 97 7.464 -14.842 5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 97 7.836 -16.387 5.912 1.00 0.00 H new ATOM 1500 N LYS A 98 7.860 -13.902 -0.940 1.00 0.00 N ATOM 1501 CA LYS A 98 8.598 -13.830 -2.189 1.00 0.00 C ATOM 1502 C LYS A 98 8.946 -12.371 -2.488 1.00 0.00 C ATOM 1503 O LYS A 98 10.114 -12.036 -2.681 1.00 0.00 O ATOM 1504 CB LYS A 98 7.816 -14.517 -3.312 1.00 0.00 C ATOM 1505 CG LYS A 98 8.750 -14.942 -4.448 1.00 0.00 C ATOM 1506 CD LYS A 98 7.963 -15.583 -5.593 1.00 0.00 C ATOM 1507 CE LYS A 98 7.213 -14.524 -6.403 1.00 0.00 C ATOM 1508 NZ LYS A 98 7.776 -14.419 -7.768 1.00 0.00 N ATOM 0 H LYS A 98 6.911 -14.266 -1.025 1.00 0.00 H new ATOM 0 HA LYS A 98 9.540 -14.372 -2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.296 -15.390 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.054 -13.840 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.296 -14.075 -4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.490 -15.648 -4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.644 -16.130 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.255 -16.308 -5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.155 -14.782 -6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.280 -13.559 -5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.255 -13.696 -8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.779 -14.151 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.690 -15.336 -8.251 1.00 0.00 H new ATOM 1522 N ALA A 99 7.913 -11.542 -2.514 1.00 0.00 N ATOM 1523 CA ALA A 99 8.095 -10.126 -2.785 1.00 0.00 C ATOM 1524 C ALA A 99 8.725 -9.455 -1.562 1.00 0.00 C ATOM 1525 O ALA A 99 9.697 -8.712 -1.689 1.00 0.00 O ATOM 1526 CB ALA A 99 6.752 -9.502 -3.166 1.00 0.00 C ATOM 0 H ALA A 99 6.946 -11.824 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 99 8.772 -9.980 -3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.889 -8.440 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.362 -9.994 -4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.047 -9.626 -2.344 1.00 0.00 H new ATOM 1532 N ALA A 100 8.144 -9.740 -0.405 1.00 0.00 N ATOM 1533 CA ALA A 100 8.636 -9.174 0.839 1.00 0.00 C ATOM 1534 C ALA A 100 10.130 -9.473 0.976 1.00 0.00 C ATOM 1535 O ALA A 100 10.862 -8.719 1.616 1.00 0.00 O ATOM 1536 CB ALA A 100 7.821 -9.727 2.009 1.00 0.00 C ATOM 0 H ALA A 100 7.337 -10.356 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 100 8.516 -8.091 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.190 -9.302 2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.772 -9.461 1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.919 -10.812 2.040 1.00 0.00 H new ATOM 1542 N ALA A 101 10.538 -10.576 0.363 1.00 0.00 N ATOM 1543 CA ALA A 101 11.932 -10.984 0.409 1.00 0.00 C ATOM 1544 C ALA A 101 12.653 -10.462 -0.835 1.00 0.00 C ATOM 1545 O ALA A 101 13.874 -10.318 -0.835 1.00 0.00 O ATOM 1546 CB ALA A 101 12.014 -12.507 0.535 1.00 0.00 C ATOM 0 H ALA A 101 9.928 -11.198 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 101 12.428 -10.557 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.059 -12.813 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.513 -12.824 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.528 -12.970 -0.324 1.00 0.00 H new ATOM 1552 N LEU A 102 11.866 -10.194 -1.867 1.00 0.00 N ATOM 1553 CA LEU A 102 12.414 -9.691 -3.115 1.00 0.00 C ATOM 1554 C LEU A 102 12.988 -8.292 -2.888 1.00 0.00 C ATOM 1555 O LEU A 102 13.832 -7.831 -3.656 1.00 0.00 O ATOM 1556 CB LEU A 102 11.362 -9.752 -4.225 1.00 0.00 C ATOM 1557 CG LEU A 102 11.892 -9.657 -5.657 1.00 0.00 C ATOM 1558 CD1 LEU A 102 12.595 -8.319 -5.895 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.796 -10.846 -5.987 1.00 0.00 C ATOM 0 H LEU A 102 10.853 -10.316 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 102 13.236 -10.322 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.810 -10.686 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.649 -8.942 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 102 11.042 -9.699 -6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.962 -8.278 -6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.891 -7.504 -5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.433 -8.221 -5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.159 -10.754 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.643 -10.860 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.231 -11.772 -5.885 1.00 0.00 H new ATOM 1571 N GLY A 103 12.509 -7.654 -1.830 1.00 0.00 N ATOM 1572 CA GLY A 103 12.965 -6.317 -1.492 1.00 0.00 C ATOM 1573 C GLY A 103 11.814 -5.467 -0.948 1.00 0.00 C ATOM 1574 O GLY A 103 12.044 -4.453 -0.291 1.00 0.00 O ATOM 0 H GLY A 103 11.809 -8.039 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.760 -6.377 -0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.389 -5.839 -2.375 1.00 0.00 H new ATOM 1578 N ALA A 104 10.602 -5.911 -1.243 1.00 0.00 N ATOM 1579 CA ALA A 104 9.416 -5.204 -0.793 1.00 0.00 C ATOM 1580 C ALA A 104 9.544 -4.901 0.701 1.00 0.00 C ATOM 1581 O ALA A 104 10.008 -5.741 1.471 1.00 0.00 O ATOM 1582 CB ALA A 104 8.172 -6.036 -1.113 1.00 0.00 C ATOM 0 H ALA A 104 10.416 -6.752 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 104 9.316 -4.253 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.282 -5.505 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.110 -6.199 -2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.236 -6.997 -0.603 1.00 0.00 H new ATOM 1588 N ASN A 105 9.126 -3.698 1.068 1.00 0.00 N ATOM 1589 CA ASN A 105 9.190 -3.274 2.455 1.00 0.00 C ATOM 1590 C ASN A 105 8.080 -3.968 3.247 1.00 0.00 C ATOM 1591 O ASN A 105 8.284 -4.361 4.395 1.00 0.00 O ATOM 1592 CB ASN A 105 8.985 -1.763 2.580 1.00 0.00 C ATOM 1593 CG ASN A 105 9.398 -1.265 3.967 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.559 -1.284 4.341 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.386 -0.821 4.705 1.00 0.00 N ATOM 0 H ASN A 105 8.741 -3.004 0.427 1.00 0.00 H new ATOM 0 HA ASN A 105 10.174 -3.538 2.843 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.569 -1.249 1.817 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.938 -1.518 2.399 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.558 -0.468 5.646 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.437 -0.833 4.330 1.00 0.00 H new ATOM 1602 N ASN A 106 6.930 -4.097 2.603 1.00 0.00 N ATOM 1603 CA ASN A 106 5.787 -4.737 3.233 1.00 0.00 C ATOM 1604 C ASN A 106 4.679 -4.927 2.195 1.00 0.00 C ATOM 1605 O ASN A 106 4.263 -3.970 1.543 1.00 0.00 O ATOM 1606 CB ASN A 106 5.229 -3.875 4.367 1.00 0.00 C ATOM 1607 CG ASN A 106 5.258 -4.633 5.696 1.00 0.00 C ATOM 1608 OD1 ASN A 106 6.094 -5.489 5.935 1.00 0.00 O ATOM 1609 ND2 ASN A 106 4.299 -4.273 6.545 1.00 0.00 N ATOM 0 H ASN A 106 6.765 -3.769 1.651 1.00 0.00 H new ATOM 0 HA ASN A 106 6.116 -5.695 3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.813 -2.959 4.454 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.206 -3.580 4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.232 -4.721 7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.631 -3.549 6.282 1.00 0.00 H new ATOM 1616 N VAL A 107 4.231 -6.169 2.075 1.00 0.00 N ATOM 1617 CA VAL A 107 3.179 -6.496 1.128 1.00 0.00 C ATOM 1618 C VAL A 107 2.033 -7.193 1.866 1.00 0.00 C ATOM 1619 O VAL A 107 2.192 -8.313 2.348 1.00 0.00 O ATOM 1620 CB VAL A 107 3.749 -7.333 -0.018 1.00 0.00 C ATOM 1621 CG1 VAL A 107 4.176 -8.718 0.474 1.00 0.00 C ATOM 1622 CG2 VAL A 107 2.744 -7.447 -1.167 1.00 0.00 C ATOM 0 H VAL A 107 4.578 -6.960 2.618 1.00 0.00 H new ATOM 0 HA VAL A 107 2.773 -5.589 0.680 1.00 0.00 H new ATOM 0 HB VAL A 107 4.635 -6.823 -0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.578 -9.293 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.941 -8.611 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.313 -9.238 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.174 -8.047 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.832 -7.923 -0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.509 -6.452 -1.545 1.00 0.00 H new ATOM 1632 N LEU A 108 0.905 -6.500 1.930 1.00 0.00 N ATOM 1633 CA LEU A 108 -0.265 -7.038 2.601 1.00 0.00 C ATOM 1634 C LEU A 108 -1.473 -6.941 1.666 1.00 0.00 C ATOM 1635 O LEU A 108 -1.658 -5.932 0.988 1.00 0.00 O ATOM 1636 CB LEU A 108 -0.475 -6.347 3.949 1.00 0.00 C ATOM 1637 CG LEU A 108 0.794 -5.998 4.729 1.00 0.00 C ATOM 1638 CD1 LEU A 108 0.710 -4.584 5.308 1.00 0.00 C ATOM 1639 CD2 LEU A 108 1.081 -7.044 5.808 1.00 0.00 C ATOM 0 H LEU A 108 0.777 -5.571 1.528 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.121 -8.094 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.038 -5.429 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.095 -6.991 4.572 1.00 0.00 H new ATOM 0 HG LEU A 108 1.635 -6.013 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.624 -4.361 5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.589 -3.865 4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.144 -4.517 5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.988 -6.771 6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.244 -7.087 6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.215 -8.020 5.342 1.00 0.00 H new ATOM 1651 N ALA A 109 -2.263 -8.004 1.660 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.448 -8.052 0.819 1.00 0.00 C ATOM 1653 C ALA A 109 -4.679 -7.709 1.661 1.00 0.00 C ATOM 1654 O ALA A 109 -4.706 -7.969 2.862 1.00 0.00 O ATOM 1655 CB ALA A 109 -3.555 -9.431 0.165 1.00 0.00 C ATOM 0 H ALA A 109 -2.106 -8.839 2.224 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.380 -7.316 0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.443 -9.467 -0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.670 -9.614 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.628 -10.196 0.938 1.00 0.00 H new ATOM 1661 N LYS A 110 -5.667 -7.127 0.996 1.00 0.00 N ATOM 1662 CA LYS A 110 -6.897 -6.745 1.667 1.00 0.00 C ATOM 1663 C LYS A 110 -7.728 -7.999 1.953 1.00 0.00 C ATOM 1664 O LYS A 110 -8.302 -8.589 1.039 1.00 0.00 O ATOM 1665 CB LYS A 110 -7.644 -5.685 0.855 1.00 0.00 C ATOM 1666 CG LYS A 110 -6.982 -4.313 1.005 1.00 0.00 C ATOM 1667 CD LYS A 110 -6.905 -3.592 -0.342 1.00 0.00 C ATOM 1668 CE LYS A 110 -8.265 -3.590 -1.042 1.00 0.00 C ATOM 1669 NZ LYS A 110 -8.098 -3.406 -2.500 1.00 0.00 N ATOM 0 H LYS A 110 -5.640 -6.911 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.678 -6.281 2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.661 -5.972 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.681 -5.631 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.547 -3.708 1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.979 -4.432 1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.569 -2.566 -0.191 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.166 -4.079 -0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.783 -4.529 -0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.887 -2.792 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.010 -3.137 -2.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.400 -2.656 -2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.767 -4.295 -2.926 1.00 0.00 H new ATOM 1683 N PRO A 111 -7.765 -8.378 3.258 1.00 0.00 N ATOM 1684 CA PRO A 111 -8.516 -9.550 3.676 1.00 0.00 C ATOM 1685 C PRO A 111 -10.019 -9.265 3.679 1.00 0.00 C ATOM 1686 O PRO A 111 -10.436 -8.110 3.742 1.00 0.00 O ATOM 1687 CB PRO A 111 -7.974 -9.894 5.053 1.00 0.00 C ATOM 1688 CG PRO A 111 -7.275 -8.639 5.552 1.00 0.00 C ATOM 1689 CD PRO A 111 -7.097 -7.703 4.368 1.00 0.00 C ATOM 0 HA PRO A 111 -8.396 -10.392 2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -8.779 -10.187 5.727 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.280 -10.733 5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.864 -8.159 6.333 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -6.309 -8.889 5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.542 -6.728 4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -6.042 -7.534 4.152 1.00 0.00 H new ATOM 1697 N PHE A 112 -10.792 -10.340 3.609 1.00 0.00 N ATOM 1698 CA PHE A 112 -12.240 -10.221 3.603 1.00 0.00 C ATOM 1699 C PHE A 112 -12.779 -10.013 5.020 1.00 0.00 C ATOM 1700 O PHE A 112 -13.980 -9.826 5.210 1.00 0.00 O ATOM 1701 CB PHE A 112 -12.794 -11.533 3.046 1.00 0.00 C ATOM 1702 CG PHE A 112 -14.308 -11.524 2.820 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -14.824 -10.951 1.700 1.00 0.00 C ATOM 1704 CD2 PHE A 112 -15.137 -12.087 3.739 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -16.228 -10.941 1.489 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -16.541 -12.078 3.528 1.00 0.00 C ATOM 1707 CZ PHE A 112 -17.057 -11.506 2.408 1.00 0.00 C ATOM 0 H PHE A 112 -10.442 -11.297 3.556 1.00 0.00 H new ATOM 0 HA PHE A 112 -12.541 -9.364 3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -12.297 -11.753 2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -12.544 -12.342 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -14.165 -10.503 0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -14.728 -12.541 4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -16.638 -10.485 0.600 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -17.199 -12.526 4.258 1.00 0.00 H new ATOM 0 HZ PHE A 112 -18.125 -11.500 2.248 1.00 0.00 H new ATOM 1717 N THR A 113 -11.866 -10.053 5.978 1.00 0.00 N ATOM 1718 CA THR A 113 -12.233 -9.872 7.372 1.00 0.00 C ATOM 1719 C THR A 113 -11.574 -8.612 7.938 1.00 0.00 C ATOM 1720 O THR A 113 -10.444 -8.285 7.580 1.00 0.00 O ATOM 1721 CB THR A 113 -11.860 -11.147 8.129 1.00 0.00 C ATOM 1722 OG1 THR A 113 -12.185 -12.197 7.222 1.00 0.00 O ATOM 1723 CG2 THR A 113 -12.770 -11.401 9.334 1.00 0.00 C ATOM 0 H THR A 113 -10.871 -10.208 5.816 1.00 0.00 H new ATOM 0 HA THR A 113 -13.306 -9.716 7.481 1.00 0.00 H new ATOM 0 HB THR A 113 -10.825 -11.080 8.464 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.973 -13.061 7.632 1.00 0.00 H new ATOM 0 HG21 THR A 113 -12.462 -12.318 9.836 1.00 0.00 H new ATOM 0 HG22 THR A 113 -12.696 -10.565 10.029 1.00 0.00 H new ATOM 0 HG23 THR A 113 -13.801 -11.501 8.996 1.00 0.00 H new ATOM 1731 N ILE A 114 -12.308 -7.941 8.813 1.00 0.00 N ATOM 1732 CA ILE A 114 -11.807 -6.726 9.433 1.00 0.00 C ATOM 1733 C ILE A 114 -10.699 -7.083 10.427 1.00 0.00 C ATOM 1734 O ILE A 114 -9.839 -6.257 10.725 1.00 0.00 O ATOM 1735 CB ILE A 114 -12.957 -5.929 10.055 1.00 0.00 C ATOM 1736 CG1 ILE A 114 -13.884 -6.842 10.860 1.00 0.00 C ATOM 1737 CG2 ILE A 114 -13.716 -5.139 8.987 1.00 0.00 C ATOM 1738 CD1 ILE A 114 -14.490 -6.095 12.050 1.00 0.00 C ATOM 0 H ILE A 114 -13.245 -8.215 9.107 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.363 -6.071 8.683 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.534 -5.205 10.752 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -14.681 -7.216 10.217 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -13.328 -7.709 11.215 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -14.528 -4.582 9.455 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -13.035 -4.444 8.496 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -14.127 -5.827 8.249 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -15.145 -6.766 12.606 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -13.692 -5.743 12.704 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -15.066 -5.243 11.690 1.00 0.00 H new ATOM 1750 N GLU A 115 -10.757 -8.316 10.910 1.00 0.00 N ATOM 1751 CA GLU A 115 -9.769 -8.792 11.863 1.00 0.00 C ATOM 1752 C GLU A 115 -8.396 -8.900 11.195 1.00 0.00 C ATOM 1753 O GLU A 115 -7.388 -8.490 11.769 1.00 0.00 O ATOM 1754 CB GLU A 115 -10.192 -10.132 12.467 1.00 0.00 C ATOM 1755 CG GLU A 115 -10.016 -10.130 13.986 1.00 0.00 C ATOM 1756 CD GLU A 115 -9.415 -11.450 14.472 1.00 0.00 C ATOM 1757 OE1 GLU A 115 -8.398 -11.864 13.875 1.00 0.00 O ATOM 1758 OE2 GLU A 115 -9.987 -12.016 15.428 1.00 0.00 O ATOM 0 H GLU A 115 -11.472 -8.999 10.659 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.699 -8.070 12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.234 -10.334 12.219 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.599 -10.935 12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.370 -9.303 14.279 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -10.981 -9.967 14.467 1.00 0.00 H new ATOM 1765 N LYS A 116 -8.402 -9.454 9.991 1.00 0.00 N ATOM 1766 CA LYS A 116 -7.170 -9.621 9.239 1.00 0.00 C ATOM 1767 C LYS A 116 -6.742 -8.270 8.662 1.00 0.00 C ATOM 1768 O LYS A 116 -5.553 -7.963 8.607 1.00 0.00 O ATOM 1769 CB LYS A 116 -7.330 -10.717 8.183 1.00 0.00 C ATOM 1770 CG LYS A 116 -6.745 -12.042 8.676 1.00 0.00 C ATOM 1771 CD LYS A 116 -7.193 -13.204 7.788 1.00 0.00 C ATOM 1772 CE LYS A 116 -5.991 -14.010 7.291 1.00 0.00 C ATOM 1773 NZ LYS A 116 -6.277 -15.461 7.359 1.00 0.00 N ATOM 0 H LYS A 116 -9.240 -9.793 9.518 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.367 -9.957 9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.386 -10.847 7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.831 -10.415 7.262 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -5.657 -11.983 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.060 -12.223 9.704 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -7.866 -13.855 8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -7.755 -12.820 6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -5.755 -13.727 6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -5.114 -13.777 7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.451 -15.994 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -6.480 -15.729 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -7.101 -15.681 6.763 1.00 0.00 H new ATOM 1787 N MET A 117 -7.737 -7.500 8.246 1.00 0.00 N ATOM 1788 CA MET A 117 -7.478 -6.188 7.675 1.00 0.00 C ATOM 1789 C MET A 117 -7.060 -5.191 8.758 1.00 0.00 C ATOM 1790 O MET A 117 -6.184 -4.357 8.534 1.00 0.00 O ATOM 1791 CB MET A 117 -8.738 -5.681 6.971 1.00 0.00 C ATOM 1792 CG MET A 117 -8.440 -4.423 6.152 1.00 0.00 C ATOM 1793 SD MET A 117 -9.833 -3.310 6.213 1.00 0.00 S ATOM 1794 CE MET A 117 -9.093 -1.934 7.077 1.00 0.00 C ATOM 0 H MET A 117 -8.723 -7.759 8.293 1.00 0.00 H new ATOM 0 HA MET A 117 -6.662 -6.278 6.958 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.132 -6.460 6.318 1.00 0.00 H new ATOM 0 HB3 MET A 117 -9.509 -5.464 7.710 1.00 0.00 H new ATOM 0 HG2 MET A 117 -7.551 -3.927 6.542 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.226 -4.694 5.118 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.783 -1.090 7.077 1.00 0.00 H new ATOM 0 HE2 MET A 117 -8.875 -2.224 8.105 1.00 0.00 H new ATOM 0 HE3 MET A 117 -8.168 -1.646 6.578 1.00 0.00 H new ATOM 1804 N LYS A 118 -7.706 -5.311 9.908 1.00 0.00 N ATOM 1805 CA LYS A 118 -7.412 -4.430 11.026 1.00 0.00 C ATOM 1806 C LYS A 118 -6.044 -4.790 11.606 1.00 0.00 C ATOM 1807 O LYS A 118 -5.321 -3.918 12.087 1.00 0.00 O ATOM 1808 CB LYS A 118 -8.547 -4.472 12.053 1.00 0.00 C ATOM 1809 CG LYS A 118 -8.239 -3.564 13.246 1.00 0.00 C ATOM 1810 CD LYS A 118 -9.477 -3.377 14.125 1.00 0.00 C ATOM 1811 CE LYS A 118 -9.086 -2.940 15.537 1.00 0.00 C ATOM 1812 NZ LYS A 118 -8.522 -4.078 16.295 1.00 0.00 N ATOM 0 H LYS A 118 -8.432 -6.004 10.090 1.00 0.00 H new ATOM 0 HA LYS A 118 -7.354 -3.394 10.691 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -9.479 -4.158 11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.693 -5.496 12.398 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -7.431 -3.995 13.837 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -7.891 -2.594 12.890 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -10.135 -2.631 13.679 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -10.038 -4.310 14.172 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -8.355 -2.133 15.485 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -9.959 -2.546 16.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -8.530 -3.856 17.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -9.095 -4.929 16.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -7.544 -4.250 15.986 1.00 0.00 H new ATOM 1826 N ALA A 119 -5.729 -6.075 11.543 1.00 0.00 N ATOM 1827 CA ALA A 119 -4.459 -6.561 12.056 1.00 0.00 C ATOM 1828 C ALA A 119 -3.348 -6.229 11.057 1.00 0.00 C ATOM 1829 O ALA A 119 -2.287 -5.740 11.443 1.00 0.00 O ATOM 1830 CB ALA A 119 -4.561 -8.061 12.337 1.00 0.00 C ATOM 0 H ALA A 119 -6.331 -6.795 11.144 1.00 0.00 H new ATOM 0 HA ALA A 119 -4.213 -6.069 12.997 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -3.608 -8.425 12.722 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.343 -8.241 13.075 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.805 -8.588 11.415 1.00 0.00 H new ATOM 1836 N ALA A 120 -3.632 -6.507 9.793 1.00 0.00 N ATOM 1837 CA ALA A 120 -2.671 -6.244 8.735 1.00 0.00 C ATOM 1838 C ALA A 120 -2.300 -4.760 8.747 1.00 0.00 C ATOM 1839 O ALA A 120 -1.120 -4.412 8.736 1.00 0.00 O ATOM 1840 CB ALA A 120 -3.255 -6.690 7.393 1.00 0.00 C ATOM 0 H ALA A 120 -4.514 -6.912 9.478 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.756 -6.813 8.897 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.535 -6.493 6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.473 -7.757 7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.174 -6.138 7.194 1.00 0.00 H new ATOM 1846 N ILE A 121 -3.329 -3.926 8.768 1.00 0.00 N ATOM 1847 CA ILE A 121 -3.126 -2.487 8.782 1.00 0.00 C ATOM 1848 C ILE A 121 -2.349 -2.098 10.040 1.00 0.00 C ATOM 1849 O ILE A 121 -1.389 -1.331 9.969 1.00 0.00 O ATOM 1850 CB ILE A 121 -4.461 -1.756 8.633 1.00 0.00 C ATOM 1851 CG1 ILE A 121 -5.455 -2.205 9.706 1.00 0.00 C ATOM 1852 CG2 ILE A 121 -5.026 -1.928 7.221 1.00 0.00 C ATOM 1853 CD1 ILE A 121 -5.496 -1.208 10.866 1.00 0.00 C ATOM 0 H ILE A 121 -4.306 -4.219 8.776 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.524 -2.179 7.927 1.00 0.00 H new ATOM 0 HB ILE A 121 -4.285 -0.691 8.782 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -6.449 -2.301 9.269 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -5.174 -3.190 10.078 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.975 -1.398 7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.322 -1.521 6.495 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -5.183 -2.987 7.019 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.210 -1.550 11.615 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.506 -1.133 11.316 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.801 -0.230 10.494 1.00 0.00 H new ATOM 1865 N GLU A 122 -2.791 -2.644 11.164 1.00 0.00 N ATOM 1866 CA GLU A 122 -2.150 -2.362 12.436 1.00 0.00 C ATOM 1867 C GLU A 122 -0.666 -2.732 12.376 1.00 0.00 C ATOM 1868 O GLU A 122 0.148 -2.166 13.102 1.00 0.00 O ATOM 1869 CB GLU A 122 -2.852 -3.098 13.579 1.00 0.00 C ATOM 1870 CG GLU A 122 -3.838 -2.177 14.300 1.00 0.00 C ATOM 1871 CD GLU A 122 -4.267 -2.776 15.642 1.00 0.00 C ATOM 1872 OE1 GLU A 122 -5.095 -3.712 15.605 1.00 0.00 O ATOM 1873 OE2 GLU A 122 -3.758 -2.284 16.672 1.00 0.00 O ATOM 0 H GLU A 122 -3.586 -3.281 11.219 1.00 0.00 H new ATOM 0 HA GLU A 122 -2.231 -1.293 12.632 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -3.381 -3.967 13.187 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -2.111 -3.469 14.287 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -3.378 -1.202 14.463 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -4.715 -2.015 13.673 1.00 0.00 H new ATOM 1880 N ALA A 123 -0.361 -3.681 11.502 1.00 0.00 N ATOM 1881 CA ALA A 123 1.010 -4.132 11.338 1.00 0.00 C ATOM 1882 C ALA A 123 1.724 -3.228 10.332 1.00 0.00 C ATOM 1883 O ALA A 123 2.886 -2.874 10.526 1.00 0.00 O ATOM 1884 CB ALA A 123 1.015 -5.600 10.906 1.00 0.00 C ATOM 0 H ALA A 123 -1.039 -4.149 10.901 1.00 0.00 H new ATOM 0 HA ALA A 123 1.551 -4.066 12.282 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.043 -5.939 10.783 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.522 -6.205 11.667 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.483 -5.703 9.960 1.00 0.00 H new ATOM 1890 N VAL A 124 0.999 -2.877 9.280 1.00 0.00 N ATOM 1891 CA VAL A 124 1.548 -2.020 8.243 1.00 0.00 C ATOM 1892 C VAL A 124 1.924 -0.668 8.853 1.00 0.00 C ATOM 1893 O VAL A 124 2.861 -0.016 8.395 1.00 0.00 O ATOM 1894 CB VAL A 124 0.556 -1.898 7.085 1.00 0.00 C ATOM 1895 CG1 VAL A 124 -0.366 -0.693 7.277 1.00 0.00 C ATOM 1896 CG2 VAL A 124 1.288 -1.820 5.744 1.00 0.00 C ATOM 0 H VAL A 124 0.035 -3.171 9.123 1.00 0.00 H new ATOM 0 HA VAL A 124 2.458 -2.455 7.829 1.00 0.00 H new ATOM 0 HB VAL A 124 -0.063 -2.795 7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -1.061 -0.630 6.440 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -0.926 -0.807 8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.231 0.218 7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 124 0.561 -1.734 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 124 1.943 -0.949 5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.883 -2.722 5.601 1.00 0.00 H new ATOM 1906 N PHE A 125 1.175 -0.287 9.878 1.00 0.00 N ATOM 1907 CA PHE A 125 1.418 0.975 10.554 1.00 0.00 C ATOM 1908 C PHE A 125 2.480 0.817 11.645 1.00 0.00 C ATOM 1909 O PHE A 125 3.463 1.555 11.670 1.00 0.00 O ATOM 1910 CB PHE A 125 0.098 1.397 11.202 1.00 0.00 C ATOM 1911 CG PHE A 125 -0.628 2.521 10.460 1.00 0.00 C ATOM 1912 CD1 PHE A 125 -1.359 2.241 9.347 1.00 0.00 C ATOM 1913 CD2 PHE A 125 -0.543 3.801 10.913 1.00 0.00 C ATOM 1914 CE1 PHE A 125 -2.032 3.284 8.659 1.00 0.00 C ATOM 1915 CE2 PHE A 125 -1.216 4.844 10.225 1.00 0.00 C ATOM 1916 CZ PHE A 125 -1.947 4.563 9.112 1.00 0.00 C ATOM 0 H PHE A 125 0.399 -0.831 10.256 1.00 0.00 H new ATOM 0 HA PHE A 125 1.776 1.716 9.840 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -0.560 0.530 11.260 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.294 1.718 12.225 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.427 1.225 8.987 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.037 4.024 11.797 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -2.612 3.062 7.775 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -1.148 5.860 10.584 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.460 5.356 8.588 1.00 0.00 H new ATOM 1926 N GLY A 126 2.245 -0.151 12.519 1.00 0.00 N ATOM 1927 CA GLY A 126 3.169 -0.415 13.609 1.00 0.00 C ATOM 1928 C GLY A 126 4.530 -0.867 13.076 1.00 0.00 C ATOM 1929 O GLY A 126 5.527 -0.164 13.234 1.00 0.00 O ATOM 0 H GLY A 126 1.428 -0.762 12.494 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.291 0.484 14.213 1.00 0.00 H new ATOM 0 HA3 GLY A 126 2.756 -1.184 14.262 1.00 0.00 H new ATOM 1933 N ALA A 127 4.528 -2.039 12.456 1.00 0.00 N ATOM 1934 CA ALA A 127 5.750 -2.593 11.899 1.00 0.00 C ATOM 1935 C ALA A 127 6.936 -2.177 12.771 1.00 0.00 C ATOM 1936 O ALA A 127 7.790 -1.405 12.337 1.00 0.00 O ATOM 1937 CB ALA A 127 5.904 -2.133 10.448 1.00 0.00 C ATOM 0 H ALA A 127 3.699 -2.620 12.328 1.00 0.00 H new ATOM 0 HA ALA A 127 5.710 -3.682 11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 127 6.821 -2.549 10.030 1.00 0.00 H new ATOM 0 HB2 ALA A 127 5.050 -2.478 9.864 1.00 0.00 H new ATOM 0 HB3 ALA A 127 5.951 -1.045 10.414 1.00 0.00 H new ATOM 1943 N LEU A 128 6.953 -2.708 13.985 1.00 0.00 N ATOM 1944 CA LEU A 128 8.020 -2.402 14.922 1.00 0.00 C ATOM 1945 C LEU A 128 9.157 -3.411 14.740 1.00 0.00 C ATOM 1946 O LEU A 128 8.932 -4.619 14.777 1.00 0.00 O ATOM 1947 CB LEU A 128 7.477 -2.339 16.351 1.00 0.00 C ATOM 1948 CG LEU A 128 8.135 -1.311 17.273 1.00 0.00 C ATOM 1949 CD1 LEU A 128 9.579 -1.704 17.591 1.00 0.00 C ATOM 1950 CD2 LEU A 128 8.040 0.096 16.681 1.00 0.00 C ATOM 0 H LEU A 128 6.244 -3.349 14.341 1.00 0.00 H new ATOM 0 HA LEU A 128 8.434 -1.414 14.719 1.00 0.00 H new ATOM 0 HB2 LEU A 128 6.409 -2.125 16.304 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.585 -3.325 16.803 1.00 0.00 H new ATOM 0 HG LEU A 128 7.590 -1.300 18.217 1.00 0.00 H new ATOM 0 HD11 LEU A 128 10.023 -0.956 18.248 1.00 0.00 H new ATOM 0 HD12 LEU A 128 9.591 -2.675 18.086 1.00 0.00 H new ATOM 0 HD13 LEU A 128 10.153 -1.761 16.666 1.00 0.00 H new ATOM 0 HD21 LEU A 128 8.515 0.808 17.356 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.545 0.119 15.715 1.00 0.00 H new ATOM 0 HD23 LEU A 128 6.992 0.365 16.549 1.00 0.00 H new ATOM 1962 N LYS A 129 10.354 -2.875 14.546 1.00 0.00 N ATOM 1963 CA LYS A 129 11.526 -3.713 14.357 1.00 0.00 C ATOM 1964 C LYS A 129 11.146 -4.932 13.515 1.00 0.00 C ATOM 1965 O LYS A 129 10.203 -4.878 12.727 1.00 0.00 O ATOM 1966 CB LYS A 129 12.152 -4.069 15.707 1.00 0.00 C ATOM 1967 CG LYS A 129 13.579 -3.526 15.810 1.00 0.00 C ATOM 1968 CD LYS A 129 14.469 -4.473 16.617 1.00 0.00 C ATOM 1969 CE LYS A 129 14.583 -4.013 18.072 1.00 0.00 C ATOM 1970 NZ LYS A 129 14.501 -5.171 18.989 1.00 0.00 N ATOM 0 H LYS A 129 10.537 -1.872 14.516 1.00 0.00 H new ATOM 0 HA LYS A 129 12.296 -3.173 13.806 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.544 -3.659 16.513 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.161 -5.152 15.834 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.995 -3.394 14.811 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.565 -2.544 16.282 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.058 -5.482 16.582 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.461 -4.517 16.167 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.527 -3.490 18.221 1.00 0.00 H new ATOM 0 HE3 LYS A 129 13.786 -3.304 18.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 14.580 -4.841 19.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 13.589 -5.654 18.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.276 -5.833 18.782 1.00 0.00 H new TER 1984 LYS A 129