USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 808 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 SER OG : rot 8:sc= 1.33 USER MOD Set 1.2: A 91 LYS NZ :NH3+ 166:sc= 1.03 (180deg=0) USER MOD Set 2.1: A 60 ASN : amide:sc= -1.13! C(o=-0.93!,f=-8.2!) USER MOD Set 2.2: A 63 THR OG1 : rot 159:sc= 0.199 USER MOD Set 3.1: A 29 CYS SG : rot 140:sc= 0.286 USER MOD Set 3.2: A 32 CYS SG : rot 77:sc= -0.0101 USER MOD Set 4.1: A 7 THR OG1 : rot -160:sc= 0.642 USER MOD Set 4.2: A 9 GLN : amide:sc= -0.399 K(o=0.24,f=0.88) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.835 (180deg=0.447) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc=-0.000248 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -80:sc= 1.25 USER MOD Single : A 16 SER OG : rot 117:sc= 1.22 USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 0.853 (180deg=0.754) USER MOD Single : A 34 MET CE :methyl 178:sc= 0 (180deg=-0.00778) USER MOD Single : A 44 GLN : amide:sc= 0.523 K(o=0.52,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= -0.118 (180deg=-0.118) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 3.71 (180deg=3.58) USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= 1.23 (180deg=1.12) USER MOD Single : A 61 GLN : amide:sc= -2.42! C(o=-2.4!,f=-2!) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= 1.33 (180deg=1.19) USER MOD Single : A 67 TYR OH : rot -131:sc= 0.713 USER MOD Single : A 70 MET CE :methyl 160:sc= 0 (180deg=-0.0517) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 106:sc= 1.29 USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= 1.93 (180deg=1.25) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 151:sc= 1.14 (180deg=0.812!) USER MOD Single : A 97 GLN : amide:sc= 0.322 K(o=0.32,f=-0.51) USER MOD Single : A 101 ASN : amide:sc= 0.908 K(o=0.91,f=-0.02) USER MOD Single : A 102 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.13) USER MOD Single : A 103 HIS : no HE2:sc= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.381 -0.109 0.012 1.00 0.00 N ATOM 2 CA MET A 1 2.106 -0.285 -1.434 1.00 0.00 C ATOM 3 C MET A 1 2.099 -1.777 -1.774 1.00 0.00 C ATOM 4 O MET A 1 3.154 -2.377 -2.004 1.00 0.00 O ATOM 5 CB MET A 1 3.085 0.502 -2.335 1.00 0.00 C ATOM 6 CG MET A 1 2.913 2.029 -2.261 1.00 0.00 C ATOM 7 SD MET A 1 3.467 2.860 -0.742 1.00 0.00 S ATOM 8 CE MET A 1 5.267 2.792 -0.966 1.00 0.00 C ATOM 0 H1 MET A 1 2.782 0.836 0.177 1.00 0.00 H new ATOM 0 H2 MET A 1 1.495 -0.208 0.548 1.00 0.00 H new ATOM 0 H3 MET A 1 3.059 -0.832 0.327 1.00 0.00 H new ATOM 0 HA MET A 1 1.121 0.135 -1.640 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.107 0.248 -2.053 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.950 0.181 -3.368 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.450 2.470 -3.101 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.857 2.256 -2.403 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.758 3.263 -0.114 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.586 1.752 -1.039 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.540 3.320 -1.880 1.00 0.00 H new ATOM 20 N ALA A 2 0.911 -2.390 -1.753 1.00 0.00 N ATOM 21 CA ALA A 2 0.647 -3.729 -2.260 1.00 0.00 C ATOM 22 C ALA A 2 -0.849 -3.816 -2.555 1.00 0.00 C ATOM 23 O ALA A 2 -1.671 -3.270 -1.813 1.00 0.00 O ATOM 24 CB ALA A 2 1.032 -4.799 -1.229 1.00 0.00 C ATOM 0 H ALA A 2 0.079 -1.945 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 2 1.240 -3.909 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.823 -5.788 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.094 -4.718 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.452 -4.652 -0.318 1.00 0.00 H new ATOM 30 N ILE A 3 -1.194 -4.540 -3.617 1.00 0.00 N ATOM 31 CA ILE A 3 -2.574 -4.835 -3.982 1.00 0.00 C ATOM 32 C ILE A 3 -3.076 -5.913 -3.010 1.00 0.00 C ATOM 33 O ILE A 3 -2.290 -6.702 -2.476 1.00 0.00 O ATOM 34 CB ILE A 3 -2.611 -5.256 -5.473 1.00 0.00 C ATOM 35 CG1 ILE A 3 -2.141 -4.044 -6.317 1.00 0.00 C ATOM 36 CG2 ILE A 3 -3.993 -5.757 -5.945 1.00 0.00 C ATOM 37 CD1 ILE A 3 -1.973 -4.330 -7.803 1.00 0.00 C ATOM 0 H ILE A 3 -0.510 -4.944 -4.257 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.238 -3.975 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.946 -6.110 -5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.860 -3.234 -6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.190 -3.689 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.940 -6.033 -6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.285 -6.627 -5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.731 -4.966 -5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.642 -3.425 -8.313 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.231 -5.116 -7.941 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.926 -4.654 -8.221 1.00 0.00 H new ATOM 49 N VAL A 4 -4.387 -5.955 -2.786 1.00 0.00 N ATOM 50 CA VAL A 4 -5.040 -6.812 -1.805 1.00 0.00 C ATOM 51 C VAL A 4 -6.074 -7.650 -2.568 1.00 0.00 C ATOM 52 O VAL A 4 -6.388 -7.368 -3.728 1.00 0.00 O ATOM 53 CB VAL A 4 -5.629 -5.920 -0.678 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.220 -6.717 0.496 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.571 -4.964 -0.091 1.00 0.00 C ATOM 0 H VAL A 4 -5.046 -5.372 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.361 -7.503 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.428 -5.365 -1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.612 -6.027 1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.026 -7.355 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.442 -7.335 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.024 -4.358 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.749 -5.544 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.192 -4.313 -0.879 1.00 0.00 H new ATOM 65 N LYS A 5 -6.610 -8.690 -1.934 1.00 0.00 N ATOM 66 CA LYS A 5 -7.674 -9.534 -2.469 1.00 0.00 C ATOM 67 C LYS A 5 -8.684 -9.744 -1.357 1.00 0.00 C ATOM 68 O LYS A 5 -8.295 -9.834 -0.189 1.00 0.00 O ATOM 69 CB LYS A 5 -7.101 -10.882 -2.940 1.00 0.00 C ATOM 70 CG LYS A 5 -6.505 -10.792 -4.355 1.00 0.00 C ATOM 71 CD LYS A 5 -5.262 -11.666 -4.553 1.00 0.00 C ATOM 72 CE LYS A 5 -4.063 -11.040 -3.821 1.00 0.00 C ATOM 73 NZ LYS A 5 -2.812 -11.814 -4.025 1.00 0.00 N ATOM 0 H LYS A 5 -6.306 -8.977 -1.004 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.146 -9.061 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.331 -11.212 -2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.888 -11.636 -2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.265 -11.085 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.247 -9.754 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.448 -12.670 -4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.040 -11.764 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.918 -10.019 -4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.281 -10.981 -2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.032 -11.354 -3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.940 -12.781 -3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.587 -11.849 -5.040 1.00 0.00 H new ATOM 87 N ALA A 6 -9.963 -9.827 -1.713 1.00 0.00 N ATOM 88 CA ALA A 6 -11.040 -10.092 -0.769 1.00 0.00 C ATOM 89 C ALA A 6 -12.153 -10.884 -1.452 1.00 0.00 C ATOM 90 O ALA A 6 -12.162 -11.033 -2.677 1.00 0.00 O ATOM 91 CB ALA A 6 -11.577 -8.765 -0.216 1.00 0.00 C ATOM 0 H ALA A 6 -10.282 -9.711 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.657 -10.688 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.383 -8.965 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.774 -8.231 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.956 -8.156 -1.036 1.00 0.00 H new ATOM 97 N THR A 7 -13.111 -11.351 -0.652 1.00 0.00 N ATOM 98 CA THR A 7 -14.344 -11.967 -1.121 1.00 0.00 C ATOM 99 C THR A 7 -15.511 -11.361 -0.327 1.00 0.00 C ATOM 100 O THR A 7 -15.258 -10.571 0.586 1.00 0.00 O ATOM 101 CB THR A 7 -14.259 -13.502 -0.988 1.00 0.00 C ATOM 102 OG1 THR A 7 -14.082 -13.882 0.367 1.00 0.00 O ATOM 103 CG2 THR A 7 -13.123 -14.137 -1.797 1.00 0.00 C ATOM 0 H THR A 7 -13.046 -11.309 0.365 1.00 0.00 H new ATOM 0 HA THR A 7 -14.507 -11.764 -2.180 1.00 0.00 H new ATOM 0 HB THR A 7 -15.206 -13.867 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.719 -14.792 0.407 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.131 -15.217 -1.650 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.261 -13.914 -2.855 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.168 -13.733 -1.462 1.00 0.00 H new ATOM 111 N ASP A 8 -16.768 -11.739 -0.594 1.00 0.00 N ATOM 112 CA ASP A 8 -17.949 -11.273 0.162 1.00 0.00 C ATOM 113 C ASP A 8 -17.762 -11.352 1.686 1.00 0.00 C ATOM 114 O ASP A 8 -18.300 -10.533 2.432 1.00 0.00 O ATOM 115 CB ASP A 8 -19.199 -12.091 -0.203 1.00 0.00 C ATOM 116 CG ASP A 8 -20.434 -11.579 0.559 1.00 0.00 C ATOM 117 OD1 ASP A 8 -20.842 -10.414 0.345 1.00 0.00 O ATOM 118 OD2 ASP A 8 -21.011 -12.349 1.359 1.00 0.00 O ATOM 0 H ASP A 8 -17.001 -12.384 -1.349 1.00 0.00 H new ATOM 0 HA ASP A 8 -18.075 -10.228 -0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.378 -12.029 -1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.032 -13.142 0.032 1.00 0.00 H new ATOM 123 N GLN A 9 -16.964 -12.322 2.140 1.00 0.00 N ATOM 124 CA GLN A 9 -16.634 -12.566 3.536 1.00 0.00 C ATOM 125 C GLN A 9 -15.975 -11.351 4.213 1.00 0.00 C ATOM 126 O GLN A 9 -16.224 -11.127 5.401 1.00 0.00 O ATOM 127 CB GLN A 9 -15.706 -13.793 3.615 1.00 0.00 C ATOM 128 CG GLN A 9 -16.392 -15.159 3.409 1.00 0.00 C ATOM 129 CD GLN A 9 -17.191 -15.328 2.110 1.00 0.00 C ATOM 130 OE1 GLN A 9 -18.391 -15.587 2.139 1.00 0.00 O ATOM 131 NE2 GLN A 9 -16.574 -15.191 0.944 1.00 0.00 N ATOM 0 H GLN A 9 -16.513 -12.986 1.511 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.562 -12.751 4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -14.922 -13.683 2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -15.217 -13.795 4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -15.627 -15.935 3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.063 -15.335 4.249 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -15.577 -14.976 0.917 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -17.096 -15.301 0.075 1.00 0.00 H new ATOM 140 N SER A 10 -15.165 -10.568 3.486 1.00 0.00 N ATOM 141 CA SER A 10 -14.317 -9.523 4.079 1.00 0.00 C ATOM 142 C SER A 10 -14.134 -8.273 3.211 1.00 0.00 C ATOM 143 O SER A 10 -13.516 -7.309 3.667 1.00 0.00 O ATOM 144 CB SER A 10 -12.936 -10.114 4.421 1.00 0.00 C ATOM 145 OG SER A 10 -13.031 -11.329 5.153 1.00 0.00 O ATOM 0 H SER A 10 -15.079 -10.641 2.472 1.00 0.00 H new ATOM 0 HA SER A 10 -14.843 -9.189 4.974 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.382 -10.291 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.367 -9.388 5.001 1.00 0.00 H new ATOM 0 HG SER A 10 -12.131 -11.666 5.345 1.00 0.00 H new ATOM 151 N PHE A 11 -14.685 -8.238 1.996 1.00 0.00 N ATOM 152 CA PHE A 11 -14.608 -7.088 1.098 1.00 0.00 C ATOM 153 C PHE A 11 -15.109 -5.818 1.789 1.00 0.00 C ATOM 154 O PHE A 11 -14.532 -4.746 1.603 1.00 0.00 O ATOM 155 CB PHE A 11 -15.418 -7.401 -0.169 1.00 0.00 C ATOM 156 CG PHE A 11 -15.448 -6.296 -1.206 1.00 0.00 C ATOM 157 CD1 PHE A 11 -14.439 -6.224 -2.185 1.00 0.00 C ATOM 158 CD2 PHE A 11 -16.497 -5.356 -1.215 1.00 0.00 C ATOM 159 CE1 PHE A 11 -14.494 -5.239 -3.184 1.00 0.00 C ATOM 160 CE2 PHE A 11 -16.545 -4.365 -2.210 1.00 0.00 C ATOM 161 CZ PHE A 11 -15.553 -4.315 -3.203 1.00 0.00 C ATOM 0 H PHE A 11 -15.206 -9.022 1.603 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.570 -6.904 0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -15.008 -8.299 -0.630 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.443 -7.632 0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.620 -6.928 -2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -17.265 -5.397 -0.457 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.722 -5.191 -3.938 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.346 -3.641 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.604 -3.567 -3.981 1.00 0.00 H new ATOM 171 N SER A 12 -16.141 -5.935 2.627 1.00 0.00 N ATOM 172 CA SER A 12 -16.722 -4.793 3.314 1.00 0.00 C ATOM 173 C SER A 12 -15.750 -4.204 4.337 1.00 0.00 C ATOM 174 O SER A 12 -15.647 -2.984 4.458 1.00 0.00 O ATOM 175 CB SER A 12 -18.043 -5.211 3.973 1.00 0.00 C ATOM 176 OG SER A 12 -18.846 -5.956 3.067 1.00 0.00 O ATOM 0 H SER A 12 -16.592 -6.824 2.844 1.00 0.00 H new ATOM 0 HA SER A 12 -16.925 -4.009 2.584 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.838 -5.809 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.586 -4.325 4.303 1.00 0.00 H new ATOM 0 HG SER A 12 -19.683 -6.214 3.507 1.00 0.00 H new ATOM 182 N ALA A 13 -15.001 -5.053 5.045 1.00 0.00 N ATOM 183 CA ALA A 13 -13.984 -4.604 5.980 1.00 0.00 C ATOM 184 C ALA A 13 -12.843 -3.936 5.212 1.00 0.00 C ATOM 185 O ALA A 13 -12.393 -2.854 5.589 1.00 0.00 O ATOM 186 CB ALA A 13 -13.469 -5.786 6.811 1.00 0.00 C ATOM 0 H ALA A 13 -15.087 -6.067 4.982 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.417 -3.875 6.665 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.707 -5.436 7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.296 -6.227 7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.037 -6.536 6.148 1.00 0.00 H new ATOM 192 N GLU A 14 -12.394 -4.556 4.117 1.00 0.00 N ATOM 193 CA GLU A 14 -11.258 -4.063 3.350 1.00 0.00 C ATOM 194 C GLU A 14 -11.561 -2.710 2.715 1.00 0.00 C ATOM 195 O GLU A 14 -10.688 -1.842 2.692 1.00 0.00 O ATOM 196 CB GLU A 14 -10.842 -5.081 2.276 1.00 0.00 C ATOM 197 CG GLU A 14 -10.135 -6.303 2.881 1.00 0.00 C ATOM 198 CD GLU A 14 -8.793 -5.985 3.572 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.199 -4.914 3.313 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.327 -6.817 4.385 1.00 0.00 O ATOM 0 H GLU A 14 -12.809 -5.409 3.743 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.426 -3.930 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.725 -5.409 1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.180 -4.599 1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.801 -6.771 3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.959 -7.034 2.092 1.00 0.00 H new ATOM 207 N THR A 15 -12.789 -2.496 2.244 1.00 0.00 N ATOM 208 CA THR A 15 -13.184 -1.245 1.616 1.00 0.00 C ATOM 209 C THR A 15 -13.425 -0.118 2.635 1.00 0.00 C ATOM 210 O THR A 15 -13.685 1.015 2.228 1.00 0.00 O ATOM 211 CB THR A 15 -14.364 -1.486 0.660 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.404 -2.227 1.262 1.00 0.00 O ATOM 213 CG2 THR A 15 -13.896 -2.238 -0.594 1.00 0.00 C ATOM 0 H THR A 15 -13.536 -3.189 2.289 1.00 0.00 H new ATOM 0 HA THR A 15 -12.351 -0.882 1.013 1.00 0.00 H new ATOM 0 HB THR A 15 -14.749 -0.501 0.395 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.175 -3.180 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.744 -2.400 -1.259 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.138 -1.649 -1.110 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.473 -3.200 -0.305 1.00 0.00 H new ATOM 221 N SER A 16 -13.291 -0.385 3.941 1.00 0.00 N ATOM 222 CA SER A 16 -13.658 0.534 5.017 1.00 0.00 C ATOM 223 C SER A 16 -12.426 1.126 5.711 1.00 0.00 C ATOM 224 O SER A 16 -12.450 1.378 6.917 1.00 0.00 O ATOM 225 CB SER A 16 -14.623 -0.157 5.993 1.00 0.00 C ATOM 226 OG SER A 16 -15.827 -0.516 5.347 1.00 0.00 O ATOM 0 H SER A 16 -12.915 -1.269 4.283 1.00 0.00 H new ATOM 0 HA SER A 16 -14.183 1.386 4.584 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.150 -1.047 6.409 1.00 0.00 H new ATOM 0 HB3 SER A 16 -14.839 0.509 6.829 1.00 0.00 H new ATOM 0 HG SER A 16 -15.925 -1.491 5.356 1.00 0.00 H new ATOM 232 N GLU A 17 -11.342 1.346 4.958 1.00 0.00 N ATOM 233 CA GLU A 17 -10.081 1.860 5.508 1.00 0.00 C ATOM 234 C GLU A 17 -9.468 3.005 4.685 1.00 0.00 C ATOM 235 O GLU A 17 -8.393 3.497 5.038 1.00 0.00 O ATOM 236 CB GLU A 17 -9.072 0.709 5.674 1.00 0.00 C ATOM 237 CG GLU A 17 -9.561 -0.402 6.615 1.00 0.00 C ATOM 238 CD GLU A 17 -8.434 -1.386 6.972 1.00 0.00 C ATOM 239 OE1 GLU A 17 -7.743 -1.876 6.051 1.00 0.00 O ATOM 240 OE2 GLU A 17 -8.236 -1.681 8.173 1.00 0.00 O ATOM 0 H GLU A 17 -11.313 1.174 3.953 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.318 2.288 6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.860 0.278 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.134 1.111 6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.957 0.043 7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.380 -0.944 6.143 1.00 0.00 H new ATOM 247 N GLY A 18 -10.110 3.450 3.601 1.00 0.00 N ATOM 248 CA GLY A 18 -9.549 4.481 2.729 1.00 0.00 C ATOM 249 C GLY A 18 -10.294 4.550 1.410 1.00 0.00 C ATOM 250 O GLY A 18 -11.399 4.013 1.324 1.00 0.00 O ATOM 0 H GLY A 18 -11.025 3.108 3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.598 5.449 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.496 4.271 2.544 1.00 0.00 H new ATOM 254 N VAL A 19 -9.733 5.227 0.400 1.00 0.00 N ATOM 255 CA VAL A 19 -10.249 5.089 -0.956 1.00 0.00 C ATOM 256 C VAL A 19 -9.768 3.707 -1.386 1.00 0.00 C ATOM 257 O VAL A 19 -8.605 3.360 -1.160 1.00 0.00 O ATOM 258 CB VAL A 19 -9.742 6.212 -1.885 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.268 6.043 -3.320 1.00 0.00 C ATOM 260 CG2 VAL A 19 -10.220 7.583 -1.386 1.00 0.00 C ATOM 0 H VAL A 19 -8.940 5.861 0.497 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.334 5.180 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.654 6.151 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.889 6.853 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.930 5.087 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.358 6.069 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.852 8.362 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.310 7.604 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.838 7.758 -0.380 1.00 0.00 H new ATOM 270 N VAL A 20 -10.639 2.906 -1.985 1.00 0.00 N ATOM 271 CA VAL A 20 -10.332 1.539 -2.352 1.00 0.00 C ATOM 272 C VAL A 20 -10.843 1.335 -3.771 1.00 0.00 C ATOM 273 O VAL A 20 -12.039 1.463 -4.030 1.00 0.00 O ATOM 274 CB VAL A 20 -10.916 0.549 -1.323 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.466 -0.875 -1.670 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.475 0.889 0.115 1.00 0.00 C ATOM 0 H VAL A 20 -11.586 3.194 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.260 1.344 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.002 0.624 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.879 -1.574 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.821 -1.136 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.378 -0.928 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.908 0.168 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.388 0.849 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.817 1.891 0.373 1.00 0.00 H new ATOM 286 N LEU A 21 -9.926 1.046 -4.693 1.00 0.00 N ATOM 287 CA LEU A 21 -10.254 0.696 -6.063 1.00 0.00 C ATOM 288 C LEU A 21 -10.470 -0.812 -6.078 1.00 0.00 C ATOM 289 O LEU A 21 -9.512 -1.589 -6.100 1.00 0.00 O ATOM 290 CB LEU A 21 -9.109 1.124 -6.997 1.00 0.00 C ATOM 291 CG LEU A 21 -9.364 0.826 -8.486 1.00 0.00 C ATOM 292 CD1 LEU A 21 -10.581 1.594 -9.016 1.00 0.00 C ATOM 293 CD2 LEU A 21 -8.131 1.242 -9.297 1.00 0.00 C ATOM 0 H LEU A 21 -8.924 1.050 -4.502 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.151 1.205 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.937 2.194 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.195 0.618 -6.688 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.559 -0.242 -8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.729 1.358 -10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.468 1.305 -8.451 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.412 2.665 -8.904 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.303 1.034 -10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.949 2.308 -9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.263 0.680 -8.953 1.00 0.00 H new ATOM 305 N ALA A 22 -11.725 -1.236 -6.000 1.00 0.00 N ATOM 306 CA ALA A 22 -12.069 -2.626 -6.210 1.00 0.00 C ATOM 307 C ALA A 22 -12.004 -2.912 -7.708 1.00 0.00 C ATOM 308 O ALA A 22 -12.355 -2.055 -8.522 1.00 0.00 O ATOM 309 CB ALA A 22 -13.470 -2.891 -5.669 1.00 0.00 C ATOM 0 H ALA A 22 -12.520 -0.631 -5.792 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.373 -3.280 -5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.729 -3.938 -5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.496 -2.668 -4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.187 -2.257 -6.190 1.00 0.00 H new ATOM 315 N ASP A 23 -11.607 -4.128 -8.063 1.00 0.00 N ATOM 316 CA ASP A 23 -11.478 -4.592 -9.436 1.00 0.00 C ATOM 317 C ASP A 23 -12.123 -5.967 -9.523 1.00 0.00 C ATOM 318 O ASP A 23 -11.523 -6.982 -9.154 1.00 0.00 O ATOM 319 CB ASP A 23 -10.010 -4.618 -9.873 1.00 0.00 C ATOM 320 CG ASP A 23 -9.844 -5.273 -11.255 1.00 0.00 C ATOM 321 OD1 ASP A 23 -10.689 -5.042 -12.148 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.833 -5.985 -11.444 1.00 0.00 O ATOM 0 H ASP A 23 -11.358 -4.842 -7.378 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.984 -3.909 -10.118 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.620 -3.601 -9.902 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.420 -5.164 -9.137 1.00 0.00 H new ATOM 327 N PHE A 24 -13.394 -5.964 -9.920 1.00 0.00 N ATOM 328 CA PHE A 24 -14.163 -7.154 -10.219 1.00 0.00 C ATOM 329 C PHE A 24 -13.606 -7.706 -11.523 1.00 0.00 C ATOM 330 O PHE A 24 -13.714 -7.051 -12.566 1.00 0.00 O ATOM 331 CB PHE A 24 -15.661 -6.821 -10.292 1.00 0.00 C ATOM 332 CG PHE A 24 -16.235 -6.411 -8.947 1.00 0.00 C ATOM 333 CD1 PHE A 24 -16.086 -5.088 -8.485 1.00 0.00 C ATOM 334 CD2 PHE A 24 -16.844 -7.372 -8.116 1.00 0.00 C ATOM 335 CE1 PHE A 24 -16.508 -4.741 -7.190 1.00 0.00 C ATOM 336 CE2 PHE A 24 -17.279 -7.019 -6.826 1.00 0.00 C ATOM 337 CZ PHE A 24 -17.095 -5.707 -6.358 1.00 0.00 C ATOM 0 H PHE A 24 -13.927 -5.103 -10.044 1.00 0.00 H new ATOM 0 HA PHE A 24 -14.076 -7.910 -9.438 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.816 -6.015 -11.010 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -16.204 -7.689 -10.665 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.647 -4.339 -9.127 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -16.977 -8.383 -8.471 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -16.380 -3.729 -6.834 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.754 -7.756 -6.195 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.405 -5.442 -5.358 1.00 0.00 H new ATOM 347 N TRP A 25 -12.982 -8.883 -11.453 1.00 0.00 N ATOM 348 CA TRP A 25 -12.202 -9.444 -12.552 1.00 0.00 C ATOM 349 C TRP A 25 -12.466 -10.941 -12.701 1.00 0.00 C ATOM 350 O TRP A 25 -13.176 -11.527 -11.882 1.00 0.00 O ATOM 351 CB TRP A 25 -10.707 -9.156 -12.331 1.00 0.00 C ATOM 352 CG TRP A 25 -9.995 -10.029 -11.342 1.00 0.00 C ATOM 353 CD1 TRP A 25 -10.212 -10.032 -10.012 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.953 -11.030 -11.571 1.00 0.00 C ATOM 355 NE1 TRP A 25 -9.406 -10.969 -9.401 1.00 0.00 N ATOM 356 CE2 TRP A 25 -8.582 -11.593 -10.312 1.00 0.00 C ATOM 357 CE3 TRP A 25 -8.265 -11.507 -12.709 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.574 -12.559 -10.187 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -7.255 -12.482 -12.596 1.00 0.00 C ATOM 360 CH2 TRP A 25 -6.913 -13.013 -11.340 1.00 0.00 C ATOM 0 H TRP A 25 -13.005 -9.477 -10.624 1.00 0.00 H new ATOM 0 HA TRP A 25 -12.510 -8.968 -13.483 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -10.198 -9.243 -13.291 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.604 -8.120 -12.008 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.915 -9.393 -9.499 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.418 -11.174 -8.402 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.518 -11.117 -13.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.309 -12.950 -9.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.739 -12.824 -13.481 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.144 -13.768 -11.262 1.00 0.00 H new ATOM 371 N ALA A 26 -11.888 -11.555 -13.737 1.00 0.00 N ATOM 372 CA ALA A 26 -11.833 -12.999 -13.915 1.00 0.00 C ATOM 373 C ALA A 26 -10.577 -13.318 -14.740 1.00 0.00 C ATOM 374 O ALA A 26 -10.226 -12.526 -15.620 1.00 0.00 O ATOM 375 CB ALA A 26 -13.088 -13.492 -14.641 1.00 0.00 C ATOM 0 H ALA A 26 -11.434 -11.042 -14.493 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.790 -13.501 -12.949 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.034 -14.573 -14.768 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.971 -13.239 -14.054 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.154 -13.015 -15.619 1.00 0.00 H new ATOM 381 N PRO A 27 -9.902 -14.456 -14.510 1.00 0.00 N ATOM 382 CA PRO A 27 -8.605 -14.744 -15.117 1.00 0.00 C ATOM 383 C PRO A 27 -8.699 -15.134 -16.596 1.00 0.00 C ATOM 384 O PRO A 27 -7.697 -15.067 -17.309 1.00 0.00 O ATOM 385 CB PRO A 27 -8.011 -15.874 -14.271 1.00 0.00 C ATOM 386 CG PRO A 27 -9.241 -16.616 -13.750 1.00 0.00 C ATOM 387 CD PRO A 27 -10.282 -15.509 -13.581 1.00 0.00 C ATOM 0 HA PRO A 27 -7.976 -13.854 -15.120 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.371 -16.526 -14.865 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.401 -15.486 -13.455 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.577 -17.379 -14.453 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.035 -17.121 -12.806 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.284 -15.879 -13.799 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.295 -15.139 -12.556 1.00 0.00 H new ATOM 395 N TRP A 28 -9.879 -15.529 -17.084 1.00 0.00 N ATOM 396 CA TRP A 28 -10.087 -15.844 -18.492 1.00 0.00 C ATOM 397 C TRP A 28 -10.333 -14.582 -19.334 1.00 0.00 C ATOM 398 O TRP A 28 -10.369 -14.671 -20.562 1.00 0.00 O ATOM 399 CB TRP A 28 -11.222 -16.876 -18.615 1.00 0.00 C ATOM 400 CG TRP A 28 -12.463 -16.667 -17.790 1.00 0.00 C ATOM 401 CD1 TRP A 28 -13.127 -15.502 -17.619 1.00 0.00 C ATOM 402 CD2 TRP A 28 -13.211 -17.656 -17.012 1.00 0.00 C ATOM 403 NE1 TRP A 28 -14.243 -15.705 -16.835 1.00 0.00 N ATOM 404 CE2 TRP A 28 -14.333 -17.011 -16.409 1.00 0.00 C ATOM 405 CE3 TRP A 28 -13.051 -19.035 -16.750 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -15.242 -17.695 -15.587 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -13.958 -19.732 -15.927 1.00 0.00 C ATOM 408 CH2 TRP A 28 -15.051 -19.065 -15.345 1.00 0.00 C ATOM 0 H TRP A 28 -10.715 -15.638 -16.510 1.00 0.00 H new ATOM 0 HA TRP A 28 -9.178 -16.286 -18.899 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.521 -16.919 -19.662 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -10.813 -17.854 -18.360 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.827 -14.552 -18.035 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -14.918 -14.978 -16.600 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.218 -19.565 -17.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -16.079 -17.174 -15.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -13.813 -20.786 -15.742 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.741 -19.605 -14.714 1.00 0.00 H new ATOM 419 N CYS A 29 -10.504 -13.410 -18.706 1.00 0.00 N ATOM 420 CA CYS A 29 -10.730 -12.157 -19.410 1.00 0.00 C ATOM 421 C CYS A 29 -9.366 -11.535 -19.728 1.00 0.00 C ATOM 422 O CYS A 29 -8.549 -11.340 -18.825 1.00 0.00 O ATOM 423 CB CYS A 29 -11.582 -11.238 -18.526 1.00 0.00 C ATOM 424 SG CYS A 29 -11.974 -9.701 -19.408 1.00 0.00 S ATOM 0 H CYS A 29 -10.488 -13.313 -17.691 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.267 -12.315 -20.345 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.503 -11.747 -18.242 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.046 -11.010 -17.604 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.204 -9.361 -19.161 1.00 0.00 H new ATOM 430 N GLY A 30 -9.124 -11.209 -21.001 1.00 0.00 N ATOM 431 CA GLY A 30 -7.893 -10.562 -21.446 1.00 0.00 C ATOM 432 C GLY A 30 -7.706 -9.191 -20.790 1.00 0.00 C ATOM 433 O GLY A 30 -6.726 -9.015 -20.067 1.00 0.00 O ATOM 0 H GLY A 30 -9.785 -11.390 -21.756 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.041 -11.199 -21.209 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.913 -10.447 -22.530 1.00 0.00 H new ATOM 437 N PRO A 31 -8.632 -8.230 -20.967 1.00 0.00 N ATOM 438 CA PRO A 31 -8.559 -6.910 -20.345 1.00 0.00 C ATOM 439 C PRO A 31 -8.276 -6.916 -18.836 1.00 0.00 C ATOM 440 O PRO A 31 -7.493 -6.086 -18.372 1.00 0.00 O ATOM 441 CB PRO A 31 -9.880 -6.226 -20.697 1.00 0.00 C ATOM 442 CG PRO A 31 -10.200 -6.810 -22.071 1.00 0.00 C ATOM 443 CD PRO A 31 -9.701 -8.250 -21.959 1.00 0.00 C ATOM 0 HA PRO A 31 -7.697 -6.367 -20.731 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.660 -6.451 -19.969 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.779 -5.141 -20.731 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.267 -6.769 -22.288 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.691 -6.268 -22.868 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.505 -8.919 -21.652 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.335 -8.612 -22.920 1.00 0.00 H new ATOM 451 N CYS A 32 -8.832 -7.865 -18.069 1.00 0.00 N ATOM 452 CA CYS A 32 -8.532 -8.002 -16.640 1.00 0.00 C ATOM 453 C CYS A 32 -7.042 -8.243 -16.366 1.00 0.00 C ATOM 454 O CYS A 32 -6.522 -7.792 -15.346 1.00 0.00 O ATOM 455 CB CYS A 32 -9.321 -9.170 -16.041 1.00 0.00 C ATOM 456 SG CYS A 32 -11.099 -8.816 -16.016 1.00 0.00 S ATOM 0 H CYS A 32 -9.497 -8.554 -18.420 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.819 -7.058 -16.178 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.136 -10.073 -16.622 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.972 -9.366 -15.027 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.586 -8.955 -17.213 1.00 0.00 H new ATOM 462 N LYS A 33 -6.349 -8.960 -17.253 1.00 0.00 N ATOM 463 CA LYS A 33 -4.913 -9.198 -17.129 1.00 0.00 C ATOM 464 C LYS A 33 -4.137 -8.031 -17.731 1.00 0.00 C ATOM 465 O LYS A 33 -3.111 -7.650 -17.175 1.00 0.00 O ATOM 466 CB LYS A 33 -4.548 -10.536 -17.790 1.00 0.00 C ATOM 467 CG LYS A 33 -5.155 -11.706 -16.993 1.00 0.00 C ATOM 468 CD LYS A 33 -4.918 -13.078 -17.633 1.00 0.00 C ATOM 469 CE LYS A 33 -5.670 -13.212 -18.966 1.00 0.00 C ATOM 470 NZ LYS A 33 -5.805 -14.629 -19.379 1.00 0.00 N ATOM 0 H LYS A 33 -6.769 -9.391 -18.077 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.639 -9.264 -16.076 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.916 -10.556 -18.816 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.464 -10.643 -17.838 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.733 -11.706 -15.988 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.228 -11.544 -16.888 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.851 -13.224 -17.799 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.244 -13.862 -16.949 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.659 -12.764 -18.872 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.141 -12.656 -19.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.130 -14.673 -20.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.883 -15.104 -19.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.496 -15.105 -18.765 1.00 0.00 H new ATOM 484 N MET A 34 -4.635 -7.411 -18.805 1.00 0.00 N ATOM 485 CA MET A 34 -3.997 -6.244 -19.416 1.00 0.00 C ATOM 486 C MET A 34 -3.919 -5.080 -18.425 1.00 0.00 C ATOM 487 O MET A 34 -2.913 -4.374 -18.399 1.00 0.00 O ATOM 488 CB MET A 34 -4.753 -5.799 -20.677 1.00 0.00 C ATOM 489 CG MET A 34 -4.708 -6.839 -21.805 1.00 0.00 C ATOM 490 SD MET A 34 -5.874 -6.543 -23.168 1.00 0.00 S ATOM 491 CE MET A 34 -5.265 -4.956 -23.805 1.00 0.00 C ATOM 0 H MET A 34 -5.492 -7.705 -19.274 1.00 0.00 H new ATOM 0 HA MET A 34 -2.985 -6.536 -19.697 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.792 -5.598 -20.418 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.327 -4.863 -21.037 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.697 -6.869 -22.211 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.910 -7.822 -21.381 1.00 0.00 H new ATOM 0 HE1 MET A 34 -5.859 -4.659 -24.670 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.349 -4.196 -23.028 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.221 -5.059 -24.100 1.00 0.00 H new ATOM 501 N ILE A 35 -4.953 -4.872 -17.599 1.00 0.00 N ATOM 502 CA ILE A 35 -4.969 -3.782 -16.623 1.00 0.00 C ATOM 503 C ILE A 35 -4.131 -4.120 -15.374 1.00 0.00 C ATOM 504 O ILE A 35 -3.805 -3.217 -14.610 1.00 0.00 O ATOM 505 CB ILE A 35 -6.431 -3.361 -16.319 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.488 -1.914 -15.778 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.156 -4.362 -15.405 1.00 0.00 C ATOM 508 CD1 ILE A 35 -7.908 -1.397 -15.515 1.00 0.00 C ATOM 0 H ILE A 35 -5.793 -5.450 -17.590 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.479 -2.907 -17.051 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.977 -3.378 -17.262 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.917 -1.862 -14.851 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.998 -1.252 -16.492 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.175 -4.018 -15.225 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.183 -5.340 -15.885 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.626 -4.438 -14.456 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.859 -0.376 -15.138 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.479 -1.414 -16.443 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.396 -2.034 -14.777 1.00 0.00 H new ATOM 520 N ALA A 36 -3.745 -5.382 -15.145 1.00 0.00 N ATOM 521 CA ALA A 36 -2.998 -5.773 -13.948 1.00 0.00 C ATOM 522 C ALA A 36 -1.693 -4.972 -13.751 1.00 0.00 C ATOM 523 O ALA A 36 -1.535 -4.396 -12.674 1.00 0.00 O ATOM 524 CB ALA A 36 -2.760 -7.289 -13.923 1.00 0.00 C ATOM 0 H ALA A 36 -3.941 -6.154 -15.781 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.621 -5.516 -13.091 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.203 -7.555 -13.024 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.719 -7.808 -13.923 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.189 -7.582 -14.804 1.00 0.00 H new ATOM 530 N PRO A 37 -0.784 -4.835 -14.740 1.00 0.00 N ATOM 531 CA PRO A 37 0.409 -4.009 -14.562 1.00 0.00 C ATOM 532 C PRO A 37 0.064 -2.525 -14.378 1.00 0.00 C ATOM 533 O PRO A 37 0.787 -1.813 -13.685 1.00 0.00 O ATOM 534 CB PRO A 37 1.283 -4.251 -15.798 1.00 0.00 C ATOM 535 CG PRO A 37 0.296 -4.739 -16.855 1.00 0.00 C ATOM 536 CD PRO A 37 -0.731 -5.509 -16.030 1.00 0.00 C ATOM 0 HA PRO A 37 0.940 -4.284 -13.651 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.789 -3.339 -16.114 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.057 -4.993 -15.601 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.160 -3.910 -17.396 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.779 -5.376 -17.596 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.707 -5.503 -16.515 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.438 -6.553 -15.915 1.00 0.00 H new ATOM 544 N VAL A 38 -1.044 -2.053 -14.953 1.00 0.00 N ATOM 545 CA VAL A 38 -1.506 -0.681 -14.798 1.00 0.00 C ATOM 546 C VAL A 38 -1.911 -0.443 -13.335 1.00 0.00 C ATOM 547 O VAL A 38 -1.548 0.577 -12.747 1.00 0.00 O ATOM 548 CB VAL A 38 -2.662 -0.401 -15.785 1.00 0.00 C ATOM 549 CG1 VAL A 38 -2.949 1.095 -15.884 1.00 0.00 C ATOM 550 CG2 VAL A 38 -2.361 -0.900 -17.209 1.00 0.00 C ATOM 0 H VAL A 38 -1.649 -2.622 -15.545 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.705 0.019 -15.037 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.521 -0.940 -15.385 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.767 1.263 -16.585 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.228 1.478 -14.902 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.057 1.614 -16.235 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.207 -0.677 -17.859 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.470 -0.400 -17.589 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.193 -1.977 -17.189 1.00 0.00 H new ATOM 560 N LEU A 39 -2.612 -1.402 -12.720 1.00 0.00 N ATOM 561 CA LEU A 39 -2.955 -1.359 -11.307 1.00 0.00 C ATOM 562 C LEU A 39 -1.694 -1.450 -10.449 1.00 0.00 C ATOM 563 O LEU A 39 -1.630 -0.782 -9.424 1.00 0.00 O ATOM 564 CB LEU A 39 -3.940 -2.485 -10.944 1.00 0.00 C ATOM 565 CG LEU A 39 -5.334 -2.328 -11.584 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.136 -3.621 -11.414 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.132 -1.169 -10.980 1.00 0.00 C ATOM 0 H LEU A 39 -2.957 -2.234 -13.199 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.444 -0.406 -11.105 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.515 -3.440 -11.253 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.051 -2.522 -9.860 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.172 -2.111 -12.640 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.119 -3.502 -11.869 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.609 -4.442 -11.899 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.251 -3.841 -10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.105 -1.104 -11.467 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.271 -1.341 -9.913 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.588 -0.236 -11.130 1.00 0.00 H new ATOM 579 N GLU A 40 -0.679 -2.223 -10.849 1.00 0.00 N ATOM 580 CA GLU A 40 0.585 -2.271 -10.116 1.00 0.00 C ATOM 581 C GLU A 40 1.320 -0.928 -10.175 1.00 0.00 C ATOM 582 O GLU A 40 1.934 -0.526 -9.187 1.00 0.00 O ATOM 583 CB GLU A 40 1.484 -3.414 -10.615 1.00 0.00 C ATOM 584 CG GLU A 40 0.970 -4.789 -10.168 1.00 0.00 C ATOM 585 CD GLU A 40 1.898 -5.921 -10.642 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.895 -6.226 -9.947 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.634 -6.535 -11.700 1.00 0.00 O ATOM 0 H GLU A 40 -0.710 -2.822 -11.674 1.00 0.00 H new ATOM 0 HA GLU A 40 0.344 -2.471 -9.072 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.538 -3.384 -11.703 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.497 -3.267 -10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.891 -4.813 -9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.033 -4.950 -10.564 1.00 0.00 H new ATOM 594 N GLU A 41 1.267 -0.206 -11.296 1.00 0.00 N ATOM 595 CA GLU A 41 1.819 1.142 -11.383 1.00 0.00 C ATOM 596 C GLU A 41 1.047 2.086 -10.461 1.00 0.00 C ATOM 597 O GLU A 41 1.654 2.879 -9.741 1.00 0.00 O ATOM 598 CB GLU A 41 1.791 1.673 -12.824 1.00 0.00 C ATOM 599 CG GLU A 41 2.892 1.051 -13.692 1.00 0.00 C ATOM 600 CD GLU A 41 2.900 1.652 -15.109 1.00 0.00 C ATOM 601 OE1 GLU A 41 2.198 1.134 -16.007 1.00 0.00 O ATOM 602 OE2 GLU A 41 3.631 2.641 -15.346 1.00 0.00 O ATOM 0 H GLU A 41 0.843 -0.539 -12.162 1.00 0.00 H new ATOM 0 HA GLU A 41 2.861 1.096 -11.065 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.818 1.462 -13.268 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.908 2.757 -12.812 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.862 1.212 -13.222 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.743 -0.027 -13.754 1.00 0.00 H new ATOM 609 N LEU A 42 -0.286 1.990 -10.451 1.00 0.00 N ATOM 610 CA LEU A 42 -1.119 2.832 -9.606 1.00 0.00 C ATOM 611 C LEU A 42 -0.852 2.539 -8.126 1.00 0.00 C ATOM 612 O LEU A 42 -0.799 3.460 -7.315 1.00 0.00 O ATOM 613 CB LEU A 42 -2.598 2.600 -9.948 1.00 0.00 C ATOM 614 CG LEU A 42 -3.560 3.546 -9.202 1.00 0.00 C ATOM 615 CD1 LEU A 42 -3.448 4.993 -9.704 1.00 0.00 C ATOM 616 CD2 LEU A 42 -4.989 3.038 -9.399 1.00 0.00 C ATOM 0 H LEU A 42 -0.809 1.330 -11.026 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.873 3.878 -9.790 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.738 2.726 -11.022 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.860 1.569 -9.711 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.293 3.550 -8.145 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.143 5.625 -9.151 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.431 5.353 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.691 5.029 -10.766 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.684 3.696 -8.877 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.228 3.027 -10.462 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.075 2.028 -8.998 1.00 0.00 H new ATOM 628 N ASP A 43 -0.652 1.271 -7.769 1.00 0.00 N ATOM 629 CA ASP A 43 -0.329 0.844 -6.415 1.00 0.00 C ATOM 630 C ASP A 43 1.027 1.402 -5.988 1.00 0.00 C ATOM 631 O ASP A 43 1.156 1.940 -4.893 1.00 0.00 O ATOM 632 CB ASP A 43 -0.313 -0.683 -6.326 1.00 0.00 C ATOM 633 CG ASP A 43 0.216 -1.131 -4.960 1.00 0.00 C ATOM 634 OD1 ASP A 43 -0.471 -0.886 -3.944 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.310 -1.734 -4.916 1.00 0.00 O ATOM 0 H ASP A 43 -0.712 0.497 -8.431 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.096 1.229 -5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.319 -1.073 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.313 -1.094 -7.118 1.00 0.00 H new ATOM 640 N GLN A 44 2.032 1.354 -6.863 1.00 0.00 N ATOM 641 CA GLN A 44 3.332 1.955 -6.592 1.00 0.00 C ATOM 642 C GLN A 44 3.227 3.476 -6.390 1.00 0.00 C ATOM 643 O GLN A 44 4.033 4.054 -5.659 1.00 0.00 O ATOM 644 CB GLN A 44 4.291 1.609 -7.738 1.00 0.00 C ATOM 645 CG GLN A 44 4.796 0.162 -7.631 1.00 0.00 C ATOM 646 CD GLN A 44 5.489 -0.281 -8.918 1.00 0.00 C ATOM 647 OE1 GLN A 44 6.710 -0.217 -9.051 1.00 0.00 O ATOM 648 NE2 GLN A 44 4.719 -0.731 -9.894 1.00 0.00 N ATOM 0 H GLN A 44 1.966 0.899 -7.774 1.00 0.00 H new ATOM 0 HA GLN A 44 3.722 1.547 -5.659 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.784 1.749 -8.693 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.139 2.294 -7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.490 0.078 -6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.959 -0.503 -7.419 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.708 -0.777 -9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.136 -1.032 -10.775 1.00 0.00 H new ATOM 657 N GLU A 45 2.247 4.126 -7.021 1.00 0.00 N ATOM 658 CA GLU A 45 2.101 5.576 -7.020 1.00 0.00 C ATOM 659 C GLU A 45 1.239 6.085 -5.852 1.00 0.00 C ATOM 660 O GLU A 45 1.533 7.150 -5.305 1.00 0.00 O ATOM 661 CB GLU A 45 1.505 5.989 -8.374 1.00 0.00 C ATOM 662 CG GLU A 45 1.525 7.506 -8.592 1.00 0.00 C ATOM 663 CD GLU A 45 1.243 7.859 -10.058 1.00 0.00 C ATOM 664 OE1 GLU A 45 0.068 7.908 -10.472 1.00 0.00 O ATOM 665 OE2 GLU A 45 2.195 8.089 -10.836 1.00 0.00 O ATOM 0 H GLU A 45 1.522 3.647 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 45 3.081 6.032 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.063 5.504 -9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.478 5.630 -8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.780 7.978 -7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.496 7.905 -8.299 1.00 0.00 H new ATOM 672 N MET A 46 0.200 5.342 -5.450 1.00 0.00 N ATOM 673 CA MET A 46 -0.828 5.810 -4.512 1.00 0.00 C ATOM 674 C MET A 46 -1.208 4.775 -3.447 1.00 0.00 C ATOM 675 O MET A 46 -2.050 5.085 -2.605 1.00 0.00 O ATOM 676 CB MET A 46 -2.092 6.228 -5.295 1.00 0.00 C ATOM 677 CG MET A 46 -1.910 7.505 -6.118 1.00 0.00 C ATOM 678 SD MET A 46 -3.448 8.089 -6.884 1.00 0.00 S ATOM 679 CE MET A 46 -2.967 9.792 -7.274 1.00 0.00 C ATOM 0 H MET A 46 0.048 4.386 -5.772 1.00 0.00 H new ATOM 0 HA MET A 46 -0.398 6.660 -3.982 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.382 5.415 -5.961 1.00 0.00 H new ATOM 0 HB3 MET A 46 -2.913 6.373 -4.593 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.511 8.290 -5.475 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.170 7.325 -6.897 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.800 10.304 -7.755 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.701 10.314 -6.355 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.110 9.783 -7.947 1.00 0.00 H new ATOM 689 N GLY A 47 -0.612 3.579 -3.449 1.00 0.00 N ATOM 690 CA GLY A 47 -0.989 2.404 -2.652 1.00 0.00 C ATOM 691 C GLY A 47 -0.721 2.504 -1.144 1.00 0.00 C ATOM 692 O GLY A 47 -0.216 1.557 -0.540 1.00 0.00 O ATOM 0 H GLY A 47 0.196 3.392 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.052 2.214 -2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.453 1.538 -3.040 1.00 0.00 H new ATOM 696 N ASP A 48 -1.015 3.652 -0.544 1.00 0.00 N ATOM 697 CA ASP A 48 -1.058 3.902 0.890 1.00 0.00 C ATOM 698 C ASP A 48 -2.208 4.870 1.188 1.00 0.00 C ATOM 699 O ASP A 48 -3.006 4.621 2.092 1.00 0.00 O ATOM 700 CB ASP A 48 0.271 4.475 1.390 1.00 0.00 C ATOM 701 CG ASP A 48 0.171 4.848 2.878 1.00 0.00 C ATOM 702 OD1 ASP A 48 0.195 3.939 3.737 1.00 0.00 O ATOM 703 OD2 ASP A 48 0.082 6.054 3.198 1.00 0.00 O ATOM 0 H ASP A 48 -1.245 4.487 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.224 2.960 1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.066 3.744 1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.537 5.356 0.805 1.00 0.00 H new ATOM 708 N LYS A 49 -2.359 5.928 0.375 1.00 0.00 N ATOM 709 CA LYS A 49 -3.534 6.804 0.389 1.00 0.00 C ATOM 710 C LYS A 49 -4.762 6.099 -0.206 1.00 0.00 C ATOM 711 O LYS A 49 -5.897 6.497 0.056 1.00 0.00 O ATOM 712 CB LYS A 49 -3.242 8.098 -0.392 1.00 0.00 C ATOM 713 CG LYS A 49 -2.115 8.929 0.249 1.00 0.00 C ATOM 714 CD LYS A 49 -1.910 10.297 -0.421 1.00 0.00 C ATOM 715 CE LYS A 49 -1.418 10.175 -1.872 1.00 0.00 C ATOM 716 NZ LYS A 49 -1.092 11.498 -2.465 1.00 0.00 N ATOM 0 H LYS A 49 -1.660 6.199 -0.316 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.754 7.052 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.967 7.847 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.149 8.700 -0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.340 9.080 1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.184 8.365 0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.849 10.850 -0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.189 10.876 0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.535 9.537 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.184 9.687 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.764 11.369 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.941 12.099 -2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.342 11.954 -1.906 1.00 0.00 H new ATOM 730 N LEU A 50 -4.531 5.054 -0.998 1.00 0.00 N ATOM 731 CA LEU A 50 -5.485 4.248 -1.731 1.00 0.00 C ATOM 732 C LEU A 50 -5.114 2.788 -1.476 1.00 0.00 C ATOM 733 O LEU A 50 -3.945 2.469 -1.252 1.00 0.00 O ATOM 734 CB LEU A 50 -5.390 4.631 -3.227 1.00 0.00 C ATOM 735 CG LEU A 50 -5.881 3.604 -4.277 1.00 0.00 C ATOM 736 CD1 LEU A 50 -7.389 3.725 -4.487 1.00 0.00 C ATOM 737 CD2 LEU A 50 -5.138 3.762 -5.609 1.00 0.00 C ATOM 0 H LEU A 50 -3.578 4.725 -1.152 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.516 4.410 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.955 5.552 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.347 4.860 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.662 2.609 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.713 2.995 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.904 3.538 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.628 4.729 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.508 3.025 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.306 4.764 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.071 3.609 -5.451 1.00 0.00 H new ATOM 749 N LYS A 51 -6.100 1.900 -1.563 1.00 0.00 N ATOM 750 CA LYS A 51 -5.919 0.451 -1.586 1.00 0.00 C ATOM 751 C LYS A 51 -6.474 -0.038 -2.924 1.00 0.00 C ATOM 752 O LYS A 51 -7.360 0.604 -3.486 1.00 0.00 O ATOM 753 CB LYS A 51 -6.662 -0.128 -0.371 1.00 0.00 C ATOM 754 CG LYS A 51 -6.473 -1.637 -0.155 1.00 0.00 C ATOM 755 CD LYS A 51 -7.401 -2.179 0.943 1.00 0.00 C ATOM 756 CE LYS A 51 -7.140 -1.551 2.321 1.00 0.00 C ATOM 757 NZ LYS A 51 -7.988 -2.187 3.348 1.00 0.00 N ATOM 0 H LYS A 51 -7.080 2.178 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.879 0.134 -1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.328 0.397 0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.727 0.078 -0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.668 -2.165 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.436 -1.838 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.437 -1.995 0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.277 -3.260 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.089 -1.666 2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.344 -0.481 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.739 -1.811 4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.988 -1.983 3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.835 -3.216 3.336 1.00 0.00 H new ATOM 771 N ILE A 52 -6.007 -1.176 -3.429 1.00 0.00 N ATOM 772 CA ILE A 52 -6.579 -1.823 -4.607 1.00 0.00 C ATOM 773 C ILE A 52 -6.976 -3.218 -4.135 1.00 0.00 C ATOM 774 O ILE A 52 -6.182 -3.860 -3.445 1.00 0.00 O ATOM 775 CB ILE A 52 -5.574 -1.837 -5.787 1.00 0.00 C ATOM 776 CG1 ILE A 52 -5.055 -0.409 -6.098 1.00 0.00 C ATOM 777 CG2 ILE A 52 -6.205 -2.500 -7.029 1.00 0.00 C ATOM 778 CD1 ILE A 52 -4.179 -0.298 -7.351 1.00 0.00 C ATOM 0 H ILE A 52 -5.215 -1.680 -3.030 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.444 -1.290 -5.001 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.710 -2.435 -5.495 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.911 0.256 -6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.484 -0.051 -5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.484 -2.500 -7.847 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.485 -3.526 -6.791 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.093 -1.942 -7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.865 0.737 -7.485 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.300 -0.932 -7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.749 -0.620 -8.223 1.00 0.00 H new ATOM 790 N VAL A 53 -8.174 -3.688 -4.487 1.00 0.00 N ATOM 791 CA VAL A 53 -8.683 -4.988 -4.050 1.00 0.00 C ATOM 792 C VAL A 53 -9.158 -5.743 -5.290 1.00 0.00 C ATOM 793 O VAL A 53 -10.167 -5.390 -5.903 1.00 0.00 O ATOM 794 CB VAL A 53 -9.804 -4.834 -2.992 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.366 -6.189 -2.536 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.331 -4.101 -1.727 1.00 0.00 C ATOM 0 H VAL A 53 -8.821 -3.175 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.893 -5.556 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.574 -4.251 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.149 -6.027 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.782 -6.717 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.567 -6.785 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.158 -4.022 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.514 -4.658 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.985 -3.102 -1.993 1.00 0.00 H new ATOM 806 N LYS A 54 -8.427 -6.790 -5.664 1.00 0.00 N ATOM 807 CA LYS A 54 -8.869 -7.743 -6.674 1.00 0.00 C ATOM 808 C LYS A 54 -10.014 -8.551 -6.065 1.00 0.00 C ATOM 809 O LYS A 54 -9.927 -8.963 -4.905 1.00 0.00 O ATOM 810 CB LYS A 54 -7.686 -8.660 -7.045 1.00 0.00 C ATOM 811 CG LYS A 54 -7.113 -8.439 -8.442 1.00 0.00 C ATOM 812 CD LYS A 54 -6.635 -7.008 -8.700 1.00 0.00 C ATOM 813 CE LYS A 54 -5.744 -7.000 -9.946 1.00 0.00 C ATOM 814 NZ LYS A 54 -6.486 -7.353 -11.186 1.00 0.00 N ATOM 0 H LYS A 54 -7.509 -7.000 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.211 -7.243 -7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.890 -8.514 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.010 -9.697 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.278 -9.123 -8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.873 -8.696 -9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.489 -6.345 -8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.082 -6.634 -7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.299 -6.012 -10.063 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.924 -7.704 -9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.974 -6.985 -12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.566 -8.387 -11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.437 -6.934 -11.153 1.00 0.00 H new ATOM 828 N ILE A 55 -11.059 -8.820 -6.843 1.00 0.00 N ATOM 829 CA ILE A 55 -12.179 -9.647 -6.414 1.00 0.00 C ATOM 830 C ILE A 55 -12.670 -10.446 -7.634 1.00 0.00 C ATOM 831 O ILE A 55 -13.175 -9.892 -8.612 1.00 0.00 O ATOM 832 CB ILE A 55 -13.217 -8.776 -5.656 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.425 -9.637 -5.245 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.643 -7.489 -6.387 1.00 0.00 C ATOM 835 CD1 ILE A 55 -15.311 -9.010 -4.163 1.00 0.00 C ATOM 0 H ILE A 55 -11.151 -8.467 -7.795 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.909 -10.400 -5.674 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.712 -8.410 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -15.034 -9.832 -6.128 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -14.064 -10.601 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.369 -6.949 -5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.769 -6.859 -6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -14.093 -7.747 -7.346 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.137 -9.683 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.721 -8.841 -3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.706 -8.060 -4.522 1.00 0.00 H new ATOM 847 N ASP A 56 -12.402 -11.756 -7.630 1.00 0.00 N ATOM 848 CA ASP A 56 -12.702 -12.649 -8.752 1.00 0.00 C ATOM 849 C ASP A 56 -14.191 -12.989 -8.733 1.00 0.00 C ATOM 850 O ASP A 56 -14.660 -13.613 -7.776 1.00 0.00 O ATOM 851 CB ASP A 56 -11.857 -13.927 -8.652 1.00 0.00 C ATOM 852 CG ASP A 56 -12.121 -14.945 -9.782 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.975 -14.710 -10.666 1.00 0.00 O ATOM 854 OD2 ASP A 56 -11.435 -15.993 -9.784 1.00 0.00 O ATOM 0 H ASP A 56 -11.966 -12.230 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.457 -12.153 -9.691 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.802 -13.654 -8.662 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.053 -14.406 -7.693 1.00 0.00 H new ATOM 859 N VAL A 57 -14.945 -12.573 -9.753 1.00 0.00 N ATOM 860 CA VAL A 57 -16.392 -12.781 -9.811 1.00 0.00 C ATOM 861 C VAL A 57 -16.767 -14.269 -9.794 1.00 0.00 C ATOM 862 O VAL A 57 -17.852 -14.607 -9.322 1.00 0.00 O ATOM 863 CB VAL A 57 -17.026 -12.037 -11.006 1.00 0.00 C ATOM 864 CG1 VAL A 57 -16.750 -10.528 -10.916 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.570 -12.557 -12.377 1.00 0.00 C ATOM 0 H VAL A 57 -14.568 -12.081 -10.563 1.00 0.00 H new ATOM 0 HA VAL A 57 -16.811 -12.347 -8.903 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.096 -12.232 -10.933 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.206 -10.023 -11.768 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.174 -10.135 -9.992 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.674 -10.354 -10.924 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -17.059 -11.984 -13.165 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.489 -12.448 -12.467 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.837 -13.609 -12.474 1.00 0.00 H new ATOM 875 N ASP A 58 -15.872 -15.166 -10.229 1.00 0.00 N ATOM 876 CA ASP A 58 -16.109 -16.614 -10.245 1.00 0.00 C ATOM 877 C ASP A 58 -16.080 -17.226 -8.833 1.00 0.00 C ATOM 878 O ASP A 58 -16.297 -18.426 -8.665 1.00 0.00 O ATOM 879 CB ASP A 58 -15.094 -17.301 -11.169 1.00 0.00 C ATOM 880 CG ASP A 58 -15.430 -18.785 -11.409 1.00 0.00 C ATOM 881 OD1 ASP A 58 -16.545 -19.089 -11.890 1.00 0.00 O ATOM 882 OD2 ASP A 58 -14.558 -19.653 -11.173 1.00 0.00 O ATOM 0 H ASP A 58 -14.953 -14.903 -10.584 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.113 -16.783 -10.634 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.065 -16.778 -12.125 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.098 -17.223 -10.733 1.00 0.00 H new ATOM 887 N GLU A 59 -15.836 -16.403 -7.806 1.00 0.00 N ATOM 888 CA GLU A 59 -15.961 -16.758 -6.395 1.00 0.00 C ATOM 889 C GLU A 59 -16.778 -15.692 -5.638 1.00 0.00 C ATOM 890 O GLU A 59 -16.872 -15.745 -4.412 1.00 0.00 O ATOM 891 CB GLU A 59 -14.561 -16.930 -5.770 1.00 0.00 C ATOM 892 CG GLU A 59 -13.750 -18.079 -6.387 1.00 0.00 C ATOM 893 CD GLU A 59 -12.453 -18.337 -5.600 1.00 0.00 C ATOM 894 OE1 GLU A 59 -11.422 -17.681 -5.870 1.00 0.00 O ATOM 895 OE2 GLU A 59 -12.443 -19.218 -4.709 1.00 0.00 O ATOM 0 H GLU A 59 -15.536 -15.438 -7.944 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.494 -17.705 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.004 -16.000 -5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.669 -17.106 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.355 -18.986 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.508 -17.840 -7.423 1.00 0.00 H new ATOM 902 N ASN A 60 -17.370 -14.718 -6.345 1.00 0.00 N ATOM 903 CA ASN A 60 -17.972 -13.513 -5.762 1.00 0.00 C ATOM 904 C ASN A 60 -19.238 -13.136 -6.518 1.00 0.00 C ATOM 905 O ASN A 60 -19.460 -11.976 -6.866 1.00 0.00 O ATOM 906 CB ASN A 60 -16.951 -12.369 -5.732 1.00 0.00 C ATOM 907 CG ASN A 60 -15.937 -12.626 -4.640 1.00 0.00 C ATOM 908 OD1 ASN A 60 -16.232 -12.420 -3.468 1.00 0.00 O ATOM 909 ND2 ASN A 60 -14.750 -13.090 -4.996 1.00 0.00 N ATOM 0 H ASN A 60 -17.444 -14.748 -7.362 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.260 -13.717 -4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.450 -12.289 -6.697 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.457 -11.420 -5.557 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.046 -13.288 -4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.539 -13.250 -5.981 1.00 0.00 H new ATOM 916 N GLN A 61 -20.061 -14.145 -6.792 1.00 0.00 N ATOM 917 CA GLN A 61 -21.350 -13.995 -7.446 1.00 0.00 C ATOM 918 C GLN A 61 -22.198 -13.006 -6.642 1.00 0.00 C ATOM 919 O GLN A 61 -22.775 -12.067 -7.191 1.00 0.00 O ATOM 920 CB GLN A 61 -22.080 -15.353 -7.545 1.00 0.00 C ATOM 921 CG GLN A 61 -21.282 -16.554 -8.090 1.00 0.00 C ATOM 922 CD GLN A 61 -20.163 -17.105 -7.188 1.00 0.00 C ATOM 923 OE1 GLN A 61 -19.180 -17.636 -7.688 1.00 0.00 O ATOM 924 NE2 GLN A 61 -20.225 -16.991 -5.865 1.00 0.00 N ATOM 0 H GLN A 61 -19.840 -15.113 -6.558 1.00 0.00 H new ATOM 0 HA GLN A 61 -21.195 -13.622 -8.458 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.442 -15.613 -6.550 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -22.957 -15.218 -8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.983 -17.363 -8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.840 -16.265 -9.043 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.035 -16.552 -5.428 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -19.462 -17.343 -5.286 1.00 0.00 H new ATOM 933 N GLU A 62 -22.233 -13.216 -5.324 1.00 0.00 N ATOM 934 CA GLU A 62 -23.045 -12.476 -4.382 1.00 0.00 C ATOM 935 C GLU A 62 -22.547 -11.036 -4.305 1.00 0.00 C ATOM 936 O GLU A 62 -23.345 -10.107 -4.409 1.00 0.00 O ATOM 937 CB GLU A 62 -22.967 -13.153 -3.000 1.00 0.00 C ATOM 938 CG GLU A 62 -23.686 -14.514 -2.902 1.00 0.00 C ATOM 939 CD GLU A 62 -23.052 -15.682 -3.691 1.00 0.00 C ATOM 940 OE1 GLU A 62 -21.849 -15.637 -4.039 1.00 0.00 O ATOM 941 OE2 GLU A 62 -23.769 -16.672 -3.964 1.00 0.00 O ATOM 0 H GLU A 62 -21.670 -13.938 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 62 -24.084 -12.468 -4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.918 -13.293 -2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.393 -12.479 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -23.737 -14.799 -1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.712 -14.385 -3.247 1.00 0.00 H new ATOM 948 N THR A 63 -21.235 -10.838 -4.161 1.00 0.00 N ATOM 949 CA THR A 63 -20.652 -9.517 -4.006 1.00 0.00 C ATOM 950 C THR A 63 -20.831 -8.712 -5.283 1.00 0.00 C ATOM 951 O THR A 63 -21.282 -7.578 -5.216 1.00 0.00 O ATOM 952 CB THR A 63 -19.158 -9.601 -3.644 1.00 0.00 C ATOM 953 OG1 THR A 63 -18.772 -10.935 -3.361 1.00 0.00 O ATOM 954 CG2 THR A 63 -18.847 -8.695 -2.455 1.00 0.00 C ATOM 0 H THR A 63 -20.551 -11.595 -4.149 1.00 0.00 H new ATOM 0 HA THR A 63 -21.171 -9.017 -3.188 1.00 0.00 H new ATOM 0 HB THR A 63 -18.584 -9.261 -4.506 1.00 0.00 H new ATOM 0 HG1 THR A 63 -17.802 -11.024 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.787 -8.766 -2.211 1.00 0.00 H new ATOM 0 HG22 THR A 63 -19.093 -7.664 -2.709 1.00 0.00 H new ATOM 0 HG23 THR A 63 -19.439 -9.008 -1.595 1.00 0.00 H new ATOM 962 N ALA A 64 -20.525 -9.277 -6.452 1.00 0.00 N ATOM 963 CA ALA A 64 -20.665 -8.536 -7.695 1.00 0.00 C ATOM 964 C ALA A 64 -22.144 -8.179 -7.910 1.00 0.00 C ATOM 965 O ALA A 64 -22.474 -7.021 -8.178 1.00 0.00 O ATOM 966 CB ALA A 64 -20.085 -9.372 -8.840 1.00 0.00 C ATOM 0 H ALA A 64 -20.184 -10.232 -6.559 1.00 0.00 H new ATOM 0 HA ALA A 64 -20.110 -7.599 -7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.185 -8.825 -9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.031 -9.571 -8.647 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.626 -10.316 -8.911 1.00 0.00 H new ATOM 972 N GLY A 65 -23.047 -9.138 -7.673 1.00 0.00 N ATOM 973 CA GLY A 65 -24.488 -8.928 -7.719 1.00 0.00 C ATOM 974 C GLY A 65 -24.964 -7.842 -6.749 1.00 0.00 C ATOM 975 O GLY A 65 -25.949 -7.163 -7.039 1.00 0.00 O ATOM 0 H GLY A 65 -22.786 -10.096 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.778 -8.654 -8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -24.994 -9.864 -7.485 1.00 0.00 H new ATOM 979 N LYS A 66 -24.247 -7.612 -5.642 1.00 0.00 N ATOM 980 CA LYS A 66 -24.555 -6.576 -4.652 1.00 0.00 C ATOM 981 C LYS A 66 -24.559 -5.181 -5.284 1.00 0.00 C ATOM 982 O LYS A 66 -25.279 -4.304 -4.804 1.00 0.00 O ATOM 983 CB LYS A 66 -23.546 -6.662 -3.489 1.00 0.00 C ATOM 984 CG LYS A 66 -24.098 -6.108 -2.166 1.00 0.00 C ATOM 985 CD LYS A 66 -23.086 -6.214 -1.013 1.00 0.00 C ATOM 986 CE LYS A 66 -22.707 -7.674 -0.707 1.00 0.00 C ATOM 987 NZ LYS A 66 -21.780 -7.806 0.442 1.00 0.00 N ATOM 0 H LYS A 66 -23.417 -8.155 -5.405 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.559 -6.749 -4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -23.254 -7.702 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.644 -6.112 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.379 -5.064 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -25.005 -6.650 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.187 -5.652 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.507 -5.754 -0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -23.614 -8.243 -0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -22.246 -8.116 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.390 -8.770 0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.004 -7.121 0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.295 -7.620 1.326 1.00 0.00 H new ATOM 1001 N TYR A 67 -23.813 -4.990 -6.377 1.00 0.00 N ATOM 1002 CA TYR A 67 -23.721 -3.728 -7.113 1.00 0.00 C ATOM 1003 C TYR A 67 -24.257 -3.883 -8.548 1.00 0.00 C ATOM 1004 O TYR A 67 -24.055 -2.997 -9.381 1.00 0.00 O ATOM 1005 CB TYR A 67 -22.270 -3.210 -7.088 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.525 -3.487 -5.796 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -21.774 -2.725 -4.638 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.652 -4.587 -5.737 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -21.166 -3.079 -3.419 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -20.056 -4.958 -4.524 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.319 -4.210 -3.353 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.798 -4.586 -2.152 1.00 0.00 O ATOM 0 H TYR A 67 -23.241 -5.730 -6.784 1.00 0.00 H new ATOM 0 HA TYR A 67 -24.350 -2.985 -6.623 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -21.721 -3.664 -7.913 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -22.279 -2.134 -7.264 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.431 -1.869 -4.685 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.439 -5.151 -6.633 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.346 -2.487 -2.534 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.397 -5.813 -4.484 1.00 0.00 H new ATOM 0 HH TYR A 67 -18.832 -4.724 -2.243 1.00 0.00 H new ATOM 1022 N GLY A 68 -24.927 -5.001 -8.856 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.462 -5.300 -10.181 1.00 0.00 C ATOM 1024 C GLY A 68 -24.373 -5.592 -11.219 1.00 0.00 C ATOM 1025 O GLY A 68 -24.611 -5.425 -12.417 1.00 0.00 O ATOM 0 H GLY A 68 -25.114 -5.735 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -26.129 -6.160 -10.111 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -26.063 -4.457 -10.522 1.00 0.00 H new ATOM 1029 N VAL A 69 -23.181 -6.000 -10.781 1.00 0.00 N ATOM 1030 CA VAL A 69 -22.050 -6.328 -11.639 1.00 0.00 C ATOM 1031 C VAL A 69 -22.095 -7.832 -11.915 1.00 0.00 C ATOM 1032 O VAL A 69 -22.297 -8.634 -11.003 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.740 -5.896 -10.934 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.479 -6.284 -11.723 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.714 -4.372 -10.726 1.00 0.00 C ATOM 0 H VAL A 69 -22.974 -6.114 -9.789 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.094 -5.800 -12.591 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.730 -6.422 -9.980 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.594 -5.955 -11.179 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.447 -7.366 -11.848 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.501 -5.806 -12.702 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.786 -4.088 -10.229 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -20.776 -3.872 -11.692 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.562 -4.075 -10.108 1.00 0.00 H new ATOM 1045 N MET A 70 -21.893 -8.216 -13.178 1.00 0.00 N ATOM 1046 CA MET A 70 -21.652 -9.600 -13.592 1.00 0.00 C ATOM 1047 C MET A 70 -20.877 -9.616 -14.926 1.00 0.00 C ATOM 1048 O MET A 70 -20.981 -10.553 -15.721 1.00 0.00 O ATOM 1049 CB MET A 70 -22.967 -10.418 -13.603 1.00 0.00 C ATOM 1050 CG MET A 70 -22.871 -11.591 -12.616 1.00 0.00 C ATOM 1051 SD MET A 70 -21.537 -12.783 -12.955 1.00 0.00 S ATOM 1052 CE MET A 70 -21.403 -13.578 -11.330 1.00 0.00 C ATOM 0 H MET A 70 -21.892 -7.559 -13.958 1.00 0.00 H new ATOM 0 HA MET A 70 -21.018 -10.104 -12.862 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.806 -9.775 -13.335 1.00 0.00 H new ATOM 0 HB3 MET A 70 -23.162 -10.794 -14.608 1.00 0.00 H new ATOM 0 HG2 MET A 70 -22.731 -11.190 -11.612 1.00 0.00 H new ATOM 0 HG3 MET A 70 -23.822 -12.124 -12.617 1.00 0.00 H new ATOM 0 HE1 MET A 70 -20.909 -14.544 -11.437 1.00 0.00 H new ATOM 0 HE2 MET A 70 -20.820 -12.944 -10.662 1.00 0.00 H new ATOM 0 HE3 MET A 70 -22.400 -13.725 -10.913 1.00 0.00 H new ATOM 1062 N SER A 71 -20.089 -8.563 -15.162 1.00 0.00 N ATOM 1063 CA SER A 71 -19.239 -8.365 -16.324 1.00 0.00 C ATOM 1064 C SER A 71 -17.925 -7.772 -15.815 1.00 0.00 C ATOM 1065 O SER A 71 -17.910 -7.127 -14.761 1.00 0.00 O ATOM 1066 CB SER A 71 -19.922 -7.424 -17.328 1.00 0.00 C ATOM 1067 OG SER A 71 -21.215 -7.893 -17.690 1.00 0.00 O ATOM 0 H SER A 71 -20.029 -7.785 -14.505 1.00 0.00 H new ATOM 0 HA SER A 71 -19.054 -9.305 -16.845 1.00 0.00 H new ATOM 0 HB2 SER A 71 -20.004 -6.427 -16.895 1.00 0.00 H new ATOM 0 HB3 SER A 71 -19.304 -7.334 -18.221 1.00 0.00 H new ATOM 0 HG SER A 71 -21.622 -7.271 -18.328 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.823 -8.005 -16.528 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.476 -7.691 -16.062 1.00 0.00 C ATOM 1075 C ILE A 72 -14.602 -7.219 -17.241 1.00 0.00 C ATOM 1076 O ILE A 72 -14.899 -7.595 -18.380 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.850 -8.913 -15.341 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.480 -10.131 -16.221 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.666 -9.350 -14.111 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -15.626 -10.965 -16.809 1.00 0.00 C ATOM 0 H ILE A 72 -16.843 -8.423 -17.458 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.532 -6.877 -15.339 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.887 -8.521 -15.016 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.868 -9.772 -17.049 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.853 -10.796 -15.626 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -15.186 -10.209 -13.642 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.717 -8.528 -13.397 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.674 -9.623 -14.422 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -15.215 -11.782 -17.401 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -16.232 -11.373 -16.000 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -16.247 -10.333 -17.444 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.513 -6.457 -17.009 1.00 0.00 N ATOM 1093 CA PRO A 73 -13.155 -5.822 -15.746 1.00 0.00 C ATOM 1094 C PRO A 73 -14.162 -4.722 -15.415 1.00 0.00 C ATOM 1095 O PRO A 73 -14.531 -3.933 -16.289 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.749 -5.239 -15.940 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.629 -5.047 -17.449 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.541 -6.123 -18.035 1.00 0.00 C ATOM 0 HA PRO A 73 -13.167 -6.531 -14.918 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.632 -4.295 -15.408 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.982 -5.915 -15.562 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.946 -4.049 -17.750 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.600 -5.170 -17.786 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.038 -5.760 -18.934 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.965 -7.003 -18.322 1.00 0.00 H new ATOM 1106 N THR A 74 -14.558 -4.647 -14.148 1.00 0.00 N ATOM 1107 CA THR A 74 -15.413 -3.591 -13.636 1.00 0.00 C ATOM 1108 C THR A 74 -14.724 -3.053 -12.390 1.00 0.00 C ATOM 1109 O THR A 74 -14.450 -3.785 -11.438 1.00 0.00 O ATOM 1110 CB THR A 74 -16.837 -4.114 -13.391 1.00 0.00 C ATOM 1111 OG1 THR A 74 -17.422 -4.487 -14.622 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.725 -3.046 -12.743 1.00 0.00 C ATOM 0 H THR A 74 -14.288 -5.330 -13.441 1.00 0.00 H new ATOM 0 HA THR A 74 -15.544 -2.777 -14.349 1.00 0.00 H new ATOM 0 HB THR A 74 -16.763 -4.969 -12.719 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.448 -5.464 -14.689 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.724 -3.451 -12.585 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.298 -2.750 -11.785 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.785 -2.177 -13.398 1.00 0.00 H new ATOM 1120 N LEU A 75 -14.395 -1.768 -12.433 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.731 -1.059 -11.361 1.00 0.00 C ATOM 1122 C LEU A 75 -14.817 -0.358 -10.565 1.00 0.00 C ATOM 1123 O LEU A 75 -15.669 0.308 -11.155 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.765 -0.018 -11.946 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.574 -0.602 -12.731 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.788 0.542 -13.375 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.632 -1.426 -11.846 1.00 0.00 C ATOM 0 H LEU A 75 -14.591 -1.178 -13.242 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.158 -1.741 -10.733 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.325 0.645 -12.605 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.378 0.595 -11.132 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.979 -1.273 -13.489 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.944 0.135 -13.932 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.439 1.094 -14.054 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.421 1.213 -12.599 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.811 -1.813 -12.450 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.232 -0.794 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.182 -2.257 -11.405 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.770 -0.454 -9.241 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.610 0.337 -8.349 1.00 0.00 C ATOM 1141 C LEU A 76 -14.643 1.141 -7.501 1.00 0.00 C ATOM 1142 O LEU A 76 -13.703 0.575 -6.941 1.00 0.00 O ATOM 1143 CB LEU A 76 -16.504 -0.543 -7.452 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.940 -0.742 -7.971 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -18.006 -1.566 -9.260 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -18.787 -1.443 -6.903 1.00 0.00 C ATOM 0 H LEU A 76 -14.141 -1.090 -8.751 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.294 0.966 -8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -16.034 -1.520 -7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -16.550 -0.097 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.327 0.253 -8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -19.045 -1.670 -9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.440 -1.062 -10.043 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -17.580 -2.554 -9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -19.802 -1.581 -7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -18.350 -2.415 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -18.812 -0.833 -6.000 1.00 0.00 H new ATOM 1158 N VAL A 77 -14.865 2.446 -7.393 1.00 0.00 N ATOM 1159 CA VAL A 77 -14.145 3.266 -6.440 1.00 0.00 C ATOM 1160 C VAL A 77 -15.059 3.278 -5.230 1.00 0.00 C ATOM 1161 O VAL A 77 -16.219 3.690 -5.338 1.00 0.00 O ATOM 1162 CB VAL A 77 -13.888 4.686 -6.979 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -12.918 5.446 -6.060 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -13.303 4.680 -8.398 1.00 0.00 C ATOM 0 H VAL A 77 -15.543 2.956 -7.959 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.151 2.878 -6.216 1.00 0.00 H new ATOM 0 HB VAL A 77 -14.859 5.181 -7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.749 6.447 -6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.346 5.520 -5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.970 4.911 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.141 5.706 -8.729 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.353 4.145 -8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -13.998 4.185 -9.076 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.550 2.815 -4.095 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.202 2.939 -2.804 1.00 0.00 C ATOM 1176 C LEU A 78 -14.365 3.891 -1.960 1.00 0.00 C ATOM 1177 O LEU A 78 -13.181 4.093 -2.237 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.364 1.571 -2.106 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.259 0.572 -2.872 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -15.434 -0.379 -3.749 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.114 -0.261 -1.909 1.00 0.00 C ATOM 0 H LEU A 78 -13.652 2.333 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.211 3.330 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.378 1.127 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.784 1.730 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.908 1.170 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.102 -1.065 -4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.866 0.199 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.747 -0.948 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.733 -0.954 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.464 -0.822 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.754 0.401 -1.325 1.00 0.00 H new ATOM 1193 N LYS A 79 -14.954 4.456 -0.911 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.234 5.209 0.101 1.00 0.00 C ATOM 1195 C LYS A 79 -14.874 4.890 1.435 1.00 0.00 C ATOM 1196 O LYS A 79 -16.095 4.990 1.551 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.273 6.714 -0.206 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.374 7.496 0.766 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.334 8.986 0.405 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.186 9.692 1.141 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.051 11.101 0.711 1.00 0.00 N ATOM 0 H LYS A 79 -15.958 4.401 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.181 4.930 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.946 6.889 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.298 7.078 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.743 7.375 1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.364 7.086 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.208 9.101 -0.672 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.283 9.454 0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.364 9.654 2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.252 9.162 0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.089 11.436 0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.230 11.171 -0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.740 11.688 1.224 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.053 4.527 2.423 1.00 0.00 N ATOM 1216 CA ASP A 80 -14.458 4.279 3.809 1.00 0.00 C ATOM 1217 C ASP A 80 -15.770 3.468 3.936 1.00 0.00 C ATOM 1218 O ASP A 80 -16.607 3.730 4.801 1.00 0.00 O ATOM 1219 CB ASP A 80 -14.480 5.614 4.573 1.00 0.00 C ATOM 1220 CG ASP A 80 -14.684 5.434 6.089 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -14.017 4.569 6.699 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -15.466 6.204 6.692 1.00 0.00 O ATOM 0 H ASP A 80 -13.053 4.393 2.275 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.717 3.629 4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.543 6.142 4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.278 6.241 4.176 1.00 0.00 H new ATOM 1227 N GLY A 81 -15.968 2.489 3.044 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.020 1.484 3.140 1.00 0.00 C ATOM 1229 C GLY A 81 -18.145 1.610 2.114 1.00 0.00 C ATOM 1230 O GLY A 81 -18.986 0.709 2.064 1.00 0.00 O ATOM 0 H GLY A 81 -15.383 2.376 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.567 0.498 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.455 1.533 4.138 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.196 2.667 1.293 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.297 2.897 0.359 1.00 0.00 C ATOM 1236 C GLU A 82 -18.768 3.232 -1.036 1.00 0.00 C ATOM 1237 O GLU A 82 -17.694 3.818 -1.165 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.216 3.989 0.928 1.00 0.00 C ATOM 1239 CG GLU A 82 -19.660 5.421 0.871 1.00 0.00 C ATOM 1240 CD GLU A 82 -20.638 6.424 1.512 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -21.524 6.957 0.806 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -20.527 6.703 2.728 1.00 0.00 O ATOM 0 H GLU A 82 -17.473 3.385 1.260 1.00 0.00 H new ATOM 0 HA GLU A 82 -19.887 1.987 0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -21.161 3.963 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.439 3.746 1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -18.701 5.463 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.475 5.701 -0.166 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.506 2.848 -2.080 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.177 3.149 -3.470 1.00 0.00 C ATOM 1251 C VAL A 83 -19.315 4.658 -3.678 1.00 0.00 C ATOM 1252 O VAL A 83 -20.278 5.280 -3.222 1.00 0.00 O ATOM 1253 CB VAL A 83 -20.073 2.332 -4.431 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -19.567 2.431 -5.879 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -20.139 0.840 -4.056 1.00 0.00 C ATOM 0 H VAL A 83 -20.366 2.309 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.150 2.859 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.069 2.765 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.216 1.847 -6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.576 3.474 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.550 2.043 -5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.781 0.315 -4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.137 0.412 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.546 0.735 -3.050 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.355 5.220 -4.406 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.303 6.619 -4.797 1.00 0.00 C ATOM 1267 C VAL A 84 -18.111 6.761 -6.314 1.00 0.00 C ATOM 1268 O VAL A 84 -18.462 7.815 -6.843 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.242 7.386 -3.972 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -17.582 7.390 -2.472 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -15.815 6.843 -4.146 1.00 0.00 C ATOM 0 H VAL A 84 -17.558 4.686 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.262 7.082 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.268 8.402 -4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.814 7.938 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.548 7.871 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.625 6.364 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.126 7.429 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.781 5.801 -3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.524 6.913 -5.194 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.646 5.725 -7.035 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.624 5.749 -8.506 1.00 0.00 C ATOM 1283 C GLU A 85 -17.589 4.326 -9.078 1.00 0.00 C ATOM 1284 O GLU A 85 -17.409 3.354 -8.343 1.00 0.00 O ATOM 1285 CB GLU A 85 -16.432 6.589 -9.033 1.00 0.00 C ATOM 1286 CG GLU A 85 -16.851 7.829 -9.845 1.00 0.00 C ATOM 1287 CD GLU A 85 -17.462 7.506 -11.220 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -18.494 6.801 -11.280 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -16.938 7.990 -12.249 1.00 0.00 O ATOM 0 H GLU A 85 -17.282 4.865 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.544 6.225 -8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.824 6.910 -8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.801 5.955 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.574 8.402 -9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.979 8.467 -9.988 1.00 0.00 H new ATOM 1296 N THR A 86 -17.762 4.184 -10.392 1.00 0.00 N ATOM 1297 CA THR A 86 -17.705 2.921 -11.126 1.00 0.00 C ATOM 1298 C THR A 86 -17.148 3.184 -12.538 1.00 0.00 C ATOM 1299 O THR A 86 -17.307 4.278 -13.084 1.00 0.00 O ATOM 1300 CB THR A 86 -19.119 2.303 -11.139 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.536 2.043 -9.811 1.00 0.00 O ATOM 1302 CG2 THR A 86 -19.238 0.996 -11.933 1.00 0.00 C ATOM 0 H THR A 86 -17.954 4.981 -11.000 1.00 0.00 H new ATOM 0 HA THR A 86 -17.035 2.206 -10.649 1.00 0.00 H new ATOM 0 HB THR A 86 -19.750 3.040 -11.636 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.435 1.652 -9.821 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.265 0.635 -11.887 1.00 0.00 H new ATOM 0 HG22 THR A 86 -18.963 1.175 -12.972 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.571 0.248 -11.505 1.00 0.00 H new ATOM 1310 N SER A 87 -16.472 2.199 -13.132 1.00 0.00 N ATOM 1311 CA SER A 87 -16.015 2.188 -14.521 1.00 0.00 C ATOM 1312 C SER A 87 -15.983 0.738 -15.019 1.00 0.00 C ATOM 1313 O SER A 87 -15.918 -0.192 -14.215 1.00 0.00 O ATOM 1314 CB SER A 87 -14.622 2.827 -14.610 1.00 0.00 C ATOM 1315 OG SER A 87 -14.691 4.220 -14.356 1.00 0.00 O ATOM 0 H SER A 87 -16.217 1.347 -12.633 1.00 0.00 H new ATOM 0 HA SER A 87 -16.695 2.765 -15.148 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.953 2.354 -13.891 1.00 0.00 H new ATOM 0 HB3 SER A 87 -14.200 2.654 -15.600 1.00 0.00 H new ATOM 0 HG SER A 87 -15.592 4.452 -14.048 1.00 0.00 H new ATOM 1321 N VAL A 88 -16.009 0.527 -16.336 1.00 0.00 N ATOM 1322 CA VAL A 88 -15.970 -0.797 -16.955 1.00 0.00 C ATOM 1323 C VAL A 88 -14.933 -0.742 -18.083 1.00 0.00 C ATOM 1324 O VAL A 88 -14.792 0.288 -18.750 1.00 0.00 O ATOM 1325 CB VAL A 88 -17.380 -1.194 -17.459 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -17.417 -2.636 -17.989 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.454 -1.075 -16.364 1.00 0.00 C ATOM 0 H VAL A 88 -16.059 1.287 -17.014 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.678 -1.566 -16.240 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.598 -0.491 -18.263 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -18.424 -2.872 -18.332 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.718 -2.736 -18.820 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -17.135 -3.324 -17.192 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.423 -1.365 -16.771 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -18.199 -1.731 -15.532 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.502 -0.044 -16.012 1.00 0.00 H new ATOM 1337 N GLY A 89 -14.217 -1.847 -18.299 1.00 0.00 N ATOM 1338 CA GLY A 89 -13.193 -1.958 -19.328 1.00 0.00 C ATOM 1339 C GLY A 89 -11.836 -1.443 -18.841 1.00 0.00 C ATOM 1340 O GLY A 89 -11.690 -0.978 -17.707 1.00 0.00 O ATOM 0 H GLY A 89 -14.338 -2.700 -17.753 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.097 -3.000 -19.634 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.501 -1.394 -20.209 1.00 0.00 H new ATOM 1344 N PHE A 90 -10.829 -1.565 -19.708 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.473 -1.084 -19.459 1.00 0.00 C ATOM 1346 C PHE A 90 -9.470 0.443 -19.292 1.00 0.00 C ATOM 1347 O PHE A 90 -10.224 1.144 -19.973 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.582 -1.519 -20.636 1.00 0.00 C ATOM 1349 CG PHE A 90 -7.126 -1.101 -20.537 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.721 0.162 -21.015 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -6.171 -1.979 -19.989 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -5.373 0.552 -20.931 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -4.820 -1.593 -19.922 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.422 -0.328 -20.388 1.00 0.00 C ATOM 0 H PHE A 90 -10.938 -2.010 -20.620 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.084 -1.511 -18.535 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.626 -2.605 -20.722 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -8.999 -1.110 -21.556 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.449 0.832 -21.447 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.475 -2.947 -19.621 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.069 1.527 -21.283 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.086 -2.271 -19.511 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.385 -0.032 -20.329 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.573 0.962 -18.445 1.00 0.00 N ATOM 1365 CA LYS A 91 -8.264 2.388 -18.319 1.00 0.00 C ATOM 1366 C LYS A 91 -6.762 2.517 -18.041 1.00 0.00 C ATOM 1367 O LYS A 91 -6.228 1.672 -17.319 1.00 0.00 O ATOM 1368 CB LYS A 91 -9.071 3.040 -17.177 1.00 0.00 C ATOM 1369 CG LYS A 91 -10.362 3.691 -17.693 1.00 0.00 C ATOM 1370 CD LYS A 91 -11.134 4.406 -16.574 1.00 0.00 C ATOM 1371 CE LYS A 91 -12.375 5.092 -17.168 1.00 0.00 C ATOM 1372 NZ LYS A 91 -13.158 5.846 -16.156 1.00 0.00 N ATOM 0 H LYS A 91 -8.026 0.381 -17.809 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.535 2.903 -19.241 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.317 2.286 -16.429 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.457 3.792 -16.681 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.118 4.406 -18.479 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.998 2.928 -18.142 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.432 3.690 -15.808 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.494 5.143 -16.089 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.063 5.773 -17.960 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.015 4.339 -17.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.834 6.473 -16.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.676 5.178 -15.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.513 6.415 -15.572 1.00 0.00 H new ATOM 1386 N PRO A 92 -6.083 3.543 -18.585 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.664 3.778 -18.346 1.00 0.00 C ATOM 1388 C PRO A 92 -4.438 4.343 -16.939 1.00 0.00 C ATOM 1389 O PRO A 92 -5.342 4.937 -16.345 1.00 0.00 O ATOM 1390 CB PRO A 92 -4.247 4.774 -19.433 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.514 5.593 -19.670 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.624 4.560 -19.479 1.00 0.00 C ATOM 0 HA PRO A 92 -4.073 2.863 -18.393 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.418 5.402 -19.106 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.922 4.265 -20.341 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.602 6.417 -18.962 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.534 6.028 -20.669 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.515 5.020 -19.051 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.918 4.123 -20.433 1.00 0.00 H new ATOM 1400 N LYS A 93 -3.212 4.230 -16.412 1.00 0.00 N ATOM 1401 CA LYS A 93 -2.897 4.641 -15.045 1.00 0.00 C ATOM 1402 C LYS A 93 -3.152 6.130 -14.844 1.00 0.00 C ATOM 1403 O LYS A 93 -3.566 6.523 -13.760 1.00 0.00 O ATOM 1404 CB LYS A 93 -1.443 4.245 -14.731 1.00 0.00 C ATOM 1405 CG LYS A 93 -1.026 4.459 -13.264 1.00 0.00 C ATOM 1406 CD LYS A 93 0.143 5.442 -13.142 1.00 0.00 C ATOM 1407 CE LYS A 93 -0.291 6.867 -13.505 1.00 0.00 C ATOM 1408 NZ LYS A 93 0.770 7.868 -13.277 1.00 0.00 N ATOM 0 H LYS A 93 -2.415 3.851 -16.923 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.555 4.128 -14.344 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.303 3.195 -14.986 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.776 4.821 -15.373 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.877 4.834 -12.695 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.744 3.503 -12.823 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.531 5.425 -12.123 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.955 5.128 -13.798 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.590 6.894 -14.553 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.168 7.135 -12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.652 8.657 -13.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.706 8.226 -12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.700 7.427 -13.424 1.00 0.00 H new ATOM 1422 N GLU A 94 -2.924 6.967 -15.859 1.00 0.00 N ATOM 1423 CA GLU A 94 -3.174 8.405 -15.760 1.00 0.00 C ATOM 1424 C GLU A 94 -4.656 8.703 -15.513 1.00 0.00 C ATOM 1425 O GLU A 94 -4.976 9.593 -14.722 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.665 9.129 -17.017 1.00 0.00 C ATOM 1427 CG GLU A 94 -1.132 9.227 -17.074 1.00 0.00 C ATOM 1428 CD GLU A 94 -0.567 10.214 -16.036 1.00 0.00 C ATOM 1429 OE1 GLU A 94 -0.332 9.804 -14.877 1.00 0.00 O ATOM 1430 OE2 GLU A 94 -0.339 11.397 -16.379 1.00 0.00 O ATOM 0 H GLU A 94 -2.564 6.669 -16.766 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.621 8.782 -14.900 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.023 8.604 -17.902 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.089 10.133 -17.048 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.701 8.240 -16.905 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.828 9.541 -18.073 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.562 7.937 -16.127 1.00 0.00 N ATOM 1438 CA ALA A 95 -6.987 8.064 -15.878 1.00 0.00 C ATOM 1439 C ALA A 95 -7.330 7.563 -14.479 1.00 0.00 C ATOM 1440 O ALA A 95 -8.105 8.198 -13.770 1.00 0.00 O ATOM 1441 CB ALA A 95 -7.764 7.257 -16.915 1.00 0.00 C ATOM 0 H ALA A 95 -5.322 7.216 -16.807 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.263 9.116 -15.952 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.833 7.354 -16.725 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.537 7.632 -17.913 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.478 6.207 -16.848 1.00 0.00 H new ATOM 1447 N LEU A 96 -6.751 6.432 -14.068 1.00 0.00 N ATOM 1448 CA LEU A 96 -7.030 5.835 -12.770 1.00 0.00 C ATOM 1449 C LEU A 96 -6.557 6.750 -11.645 1.00 0.00 C ATOM 1450 O LEU A 96 -7.278 6.920 -10.667 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.375 4.453 -12.623 1.00 0.00 C ATOM 1452 CG LEU A 96 -6.860 3.368 -13.603 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -6.111 2.058 -13.334 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -8.368 3.122 -13.492 1.00 0.00 C ATOM 0 H LEU A 96 -6.078 5.909 -14.628 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.110 5.706 -12.702 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.298 4.569 -12.744 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.545 4.099 -11.606 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.653 3.723 -14.613 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.456 1.292 -14.029 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.041 2.216 -13.470 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.302 1.733 -12.311 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.664 2.349 -14.202 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.610 2.797 -12.480 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.904 4.044 -13.715 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.380 7.371 -11.771 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.888 8.262 -10.727 1.00 0.00 C ATOM 1468 C GLN A 97 -5.721 9.541 -10.686 1.00 0.00 C ATOM 1469 O GLN A 97 -5.929 10.092 -9.608 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.373 8.517 -10.834 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.902 9.333 -12.042 1.00 0.00 C ATOM 1472 CD GLN A 97 -3.100 10.847 -11.924 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.635 11.485 -10.983 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.787 11.457 -12.877 1.00 0.00 N ATOM 0 H GLN A 97 -4.761 7.273 -12.576 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.016 7.765 -9.765 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.048 9.029 -9.928 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.865 7.553 -10.854 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.843 9.133 -12.205 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.432 8.981 -12.927 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.169 10.919 -13.654 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.934 12.465 -12.834 1.00 0.00 H new ATOM 1483 N GLU A 98 -6.246 9.998 -11.830 1.00 0.00 N ATOM 1484 CA GLU A 98 -7.135 11.148 -11.860 1.00 0.00 C ATOM 1485 C GLU A 98 -8.413 10.770 -11.109 1.00 0.00 C ATOM 1486 O GLU A 98 -8.815 11.460 -10.175 1.00 0.00 O ATOM 1487 CB GLU A 98 -7.411 11.575 -13.312 1.00 0.00 C ATOM 1488 CG GLU A 98 -8.297 12.825 -13.414 1.00 0.00 C ATOM 1489 CD GLU A 98 -7.626 14.086 -12.842 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -6.650 14.588 -13.443 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -8.092 14.593 -11.795 1.00 0.00 O ATOM 0 H GLU A 98 -6.065 9.583 -12.744 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.679 12.009 -11.371 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.463 11.767 -13.814 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.891 10.752 -13.841 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.552 12.998 -14.459 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.232 12.645 -12.883 1.00 0.00 H new ATOM 1498 N LEU A 99 -8.987 9.617 -11.452 1.00 0.00 N ATOM 1499 CA LEU A 99 -10.202 9.099 -10.838 1.00 0.00 C ATOM 1500 C LEU A 99 -10.030 8.967 -9.322 1.00 0.00 C ATOM 1501 O LEU A 99 -10.915 9.369 -8.571 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.555 7.760 -11.511 1.00 0.00 C ATOM 1503 CG LEU A 99 -11.769 7.031 -10.911 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -13.053 7.864 -10.988 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -11.975 5.705 -11.657 1.00 0.00 C ATOM 0 H LEU A 99 -8.611 9.008 -12.179 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.030 9.792 -10.990 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.745 7.941 -12.569 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.689 7.101 -11.451 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.561 6.856 -9.856 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.878 7.302 -10.551 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.916 8.795 -10.438 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.279 8.088 -12.030 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.834 5.181 -11.238 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.152 5.906 -12.714 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.085 5.085 -11.550 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.889 8.455 -8.859 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.612 8.321 -7.437 1.00 0.00 C ATOM 1519 C VAL A 100 -8.446 9.699 -6.795 1.00 0.00 C ATOM 1520 O VAL A 100 -9.087 9.957 -5.778 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.400 7.390 -7.218 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.872 7.449 -5.775 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.799 5.940 -7.541 1.00 0.00 C ATOM 0 H VAL A 100 -8.135 8.124 -9.461 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.459 7.851 -6.936 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.606 7.731 -7.882 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.020 6.777 -5.672 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.561 8.468 -5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.660 7.144 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.943 5.284 -7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.615 5.633 -6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.123 5.875 -8.580 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.636 10.606 -7.356 1.00 0.00 N ATOM 1534 CA ASN A 101 -7.378 11.901 -6.714 1.00 0.00 C ATOM 1535 C ASN A 101 -8.637 12.764 -6.614 1.00 0.00 C ATOM 1536 O ASN A 101 -8.753 13.570 -5.693 1.00 0.00 O ATOM 1537 CB ASN A 101 -6.199 12.657 -7.353 1.00 0.00 C ATOM 1538 CG ASN A 101 -6.591 13.831 -8.247 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -6.371 14.991 -7.916 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -7.164 13.540 -9.396 1.00 0.00 N ATOM 0 H ASN A 101 -7.153 10.469 -8.244 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.075 11.676 -5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.551 13.026 -6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.612 11.952 -7.942 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.436 14.288 -10.034 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.336 12.567 -9.648 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.603 12.555 -7.513 1.00 0.00 N ATOM 1548 CA LYS A 102 -10.927 13.170 -7.426 1.00 0.00 C ATOM 1549 C LYS A 102 -11.729 12.703 -6.200 1.00 0.00 C ATOM 1550 O LYS A 102 -12.679 13.395 -5.832 1.00 0.00 O ATOM 1551 CB LYS A 102 -11.708 12.918 -8.732 1.00 0.00 C ATOM 1552 CG LYS A 102 -11.245 13.800 -9.907 1.00 0.00 C ATOM 1553 CD LYS A 102 -11.735 15.252 -9.771 1.00 0.00 C ATOM 1554 CE LYS A 102 -11.407 16.111 -11.002 1.00 0.00 C ATOM 1555 NZ LYS A 102 -9.972 16.472 -11.101 1.00 0.00 N ATOM 0 H LYS A 102 -9.486 11.950 -8.326 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.779 14.242 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.603 11.870 -9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.768 13.095 -8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.156 13.789 -9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.614 13.380 -10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.813 15.253 -9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.281 15.702 -8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -11.701 15.571 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.002 17.023 -10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.848 17.209 -11.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.640 16.830 -10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.420 15.631 -11.365 1.00 0.00 H new ATOM 1569 N HIS A 103 -11.360 11.593 -5.547 1.00 0.00 N ATOM 1570 CA HIS A 103 -12.039 11.073 -4.359 1.00 0.00 C ATOM 1571 C HIS A 103 -11.144 11.017 -3.113 1.00 0.00 C ATOM 1572 O HIS A 103 -11.688 10.836 -2.024 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.644 9.693 -4.661 1.00 0.00 C ATOM 1574 CG HIS A 103 -13.816 9.763 -5.607 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -15.075 10.244 -5.315 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -13.827 9.382 -6.921 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -15.821 10.155 -6.429 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -15.100 9.641 -7.441 1.00 0.00 N ATOM 0 H HIS A 103 -10.566 11.023 -5.837 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.835 11.779 -4.120 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.875 9.050 -5.089 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.963 9.229 -3.728 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -15.385 10.604 -4.412 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.996 8.955 -7.463 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.856 10.455 -6.502 1.00 0.00 H new ATOM 1586 N LEU A 104 -9.817 11.180 -3.221 1.00 0.00 N ATOM 1587 CA LEU A 104 -8.925 11.292 -2.060 1.00 0.00 C ATOM 1588 C LEU A 104 -9.410 12.410 -1.142 1.00 0.00 C ATOM 1589 O LEU A 104 -9.563 12.153 0.070 1.00 0.00 O ATOM 1590 CB LEU A 104 -7.459 11.543 -2.466 1.00 0.00 C ATOM 1591 CG LEU A 104 -6.718 10.352 -3.101 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -5.286 10.768 -3.459 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -6.659 9.125 -2.185 1.00 0.00 C ATOM 1594 OXT LEU A 104 -9.623 13.542 -1.628 1.00 0.00 O ATOM 0 H LEU A 104 -9.333 11.238 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.955 10.338 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.436 12.376 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.907 11.858 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.281 10.072 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.763 9.924 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.314 11.596 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.761 11.081 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.124 8.320 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.139 9.384 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.672 8.797 -1.950 1.00 0.00 H new TER 1606 LEU A 104