USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 776 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 69 SER OG : rot 180:sc= 0.00277 USER MOD Set 1.2: A 71 SER OG : rot -140:sc= 0.814 USER MOD Set 1.3: A 73 LYS NZ :NH3+ 148:sc= 0.434 (180deg=-0.44) USER MOD Set 2.1: A 44 TYR OH : rot 42:sc= 0.342 USER MOD Set 2.2: A 46 ASN : amide:sc= -0.294 X(o=0.047,f=-0.016) USER MOD Set 3.1: A 43 HIS : no HD1:sc= -0.364 X(o=-0.5,f=-0.85) USER MOD Set 3.2: A 45 MET CE :methyl -116:sc= -0.14 (180deg=-1.53!) USER MOD Single : A 1 GLN : amide:sc= -0.0333 X(o=-0.033,f=-0.36) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0.012) USER MOD Single : A 11 ASN : amide:sc=-0.000898 X(o=-0.0009,f=0) USER MOD Single : A 20 SER OG : rot -61:sc= 0.715 USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0171) USER MOD Single : A 25 TYR OH : rot 87:sc= -0.213! USER MOD Single : A 30 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.47) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 1.02 (180deg=0.498) USER MOD Single : A 33 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 34 THR OG1 : rot 78:sc= 0.338 USER MOD Single : A 38 GLN : amide:sc= -0.165 K(o=-0.16,f=-0.73) USER MOD Single : A 47 ASN : amide:sc= -0.48 K(o=-0.48,f=-2.3) USER MOD Single : A 50 SER OG : rot 29:sc= 0.495 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.72 K(o=-1.7,f=-8!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 61 LYS NZ :NH3+ -135:sc= -0.244 (180deg=-0.909) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 16:sc= 0.0577 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.1) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 89 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.0079) USER MOD Single : A 90 HIS : no HD1:sc= -0.028 X(o=-0.028,f=-0.28) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 92 HIS : no HD1:sc= -0.561 X(o=-0.56,f=-0.22) USER MOD Single : A 93 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 4.201 -20.034 3.962 1.00 0.00 N ATOM 2 CA GLN A 1 4.113 -20.251 2.491 1.00 0.00 C ATOM 3 C GLN A 1 2.739 -19.857 1.958 1.00 0.00 C ATOM 4 O GLN A 1 1.714 -20.194 2.552 1.00 0.00 O ATOM 5 CB GLN A 1 4.400 -21.722 2.188 1.00 0.00 C ATOM 6 CG GLN A 1 5.870 -22.010 1.919 1.00 0.00 C ATOM 7 CD GLN A 1 6.375 -23.240 2.654 1.00 0.00 C ATOM 8 OE1 GLN A 1 5.639 -24.205 2.858 1.00 0.00 O ATOM 9 NE2 GLN A 1 7.643 -23.214 3.054 1.00 0.00 N ATOM 0 H1 GLN A 1 5.146 -20.310 4.298 1.00 0.00 H new ATOM 0 H2 GLN A 1 4.038 -19.029 4.175 1.00 0.00 H new ATOM 0 H3 GLN A 1 3.481 -20.611 4.442 1.00 0.00 H new ATOM 0 HA GLN A 1 4.851 -19.621 1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 1 4.067 -22.330 3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.813 -22.028 1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 1 6.018 -22.147 0.848 1.00 0.00 H new ATOM 0 HG3 GLN A 1 6.465 -21.146 2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 1 8.221 -22.395 2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 1 8.038 -24.013 3.549 1.00 0.00 H new ATOM 18 N SER A 2 2.730 -19.133 0.836 1.00 0.00 N ATOM 19 CA SER A 2 1.487 -18.675 0.215 1.00 0.00 C ATOM 20 C SER A 2 0.659 -17.840 1.196 1.00 0.00 C ATOM 21 O SER A 2 -0.565 -17.956 1.248 1.00 0.00 O ATOM 22 CB SER A 2 0.669 -19.867 -0.292 1.00 0.00 C ATOM 23 OG SER A 2 1.365 -20.574 -1.306 1.00 0.00 O ATOM 0 H SER A 2 3.574 -18.851 0.338 1.00 0.00 H new ATOM 0 HA SER A 2 1.747 -18.043 -0.634 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.449 -20.539 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.287 -19.516 -0.681 1.00 0.00 H new ATOM 0 HG SER A 2 0.821 -21.330 -1.610 1.00 0.00 H new ATOM 29 N ASP A 3 1.342 -16.997 1.969 1.00 0.00 N ATOM 30 CA ASP A 3 0.686 -16.136 2.947 1.00 0.00 C ATOM 31 C ASP A 3 1.573 -14.946 3.290 1.00 0.00 C ATOM 32 O ASP A 3 2.205 -14.909 4.348 1.00 0.00 O ATOM 33 CB ASP A 3 0.337 -16.921 4.218 1.00 0.00 C ATOM 34 CG ASP A 3 -1.097 -17.412 4.213 1.00 0.00 C ATOM 35 OD1 ASP A 3 -2.012 -16.577 4.378 1.00 0.00 O ATOM 36 OD2 ASP A 3 -1.306 -18.629 4.038 1.00 0.00 O ATOM 0 H ASP A 3 2.356 -16.893 1.935 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.240 -15.767 2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.010 -17.773 4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.499 -16.288 5.090 1.00 0.00 H new ATOM 41 N VAL A 4 1.613 -13.976 2.386 1.00 0.00 N ATOM 42 CA VAL A 4 2.417 -12.779 2.577 1.00 0.00 C ATOM 43 C VAL A 4 1.727 -11.817 3.542 1.00 0.00 C ATOM 44 O VAL A 4 0.552 -11.488 3.369 1.00 0.00 O ATOM 45 CB VAL A 4 2.673 -12.045 1.244 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.625 -10.877 1.453 1.00 0.00 C ATOM 47 CG2 VAL A 4 3.215 -13.000 0.188 1.00 0.00 C ATOM 0 H VAL A 4 1.094 -13.997 1.508 1.00 0.00 H new ATOM 0 HA VAL A 4 3.373 -13.101 2.991 1.00 0.00 H new ATOM 0 HB VAL A 4 1.721 -11.654 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.794 -10.371 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.190 -10.176 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.574 -11.246 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.386 -12.456 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.154 -13.431 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.493 -13.797 0.014 1.00 0.00 H new ATOM 57 N ARG A 5 2.463 -11.370 4.555 1.00 0.00 N ATOM 58 CA ARG A 5 1.923 -10.445 5.543 1.00 0.00 C ATOM 59 C ARG A 5 2.219 -8.999 5.151 1.00 0.00 C ATOM 60 O ARG A 5 3.380 -8.587 5.096 1.00 0.00 O ATOM 61 CB ARG A 5 2.512 -10.747 6.924 1.00 0.00 C ATOM 62 CG ARG A 5 1.711 -11.765 7.724 1.00 0.00 C ATOM 63 CD ARG A 5 2.189 -11.841 9.167 1.00 0.00 C ATOM 64 NE ARG A 5 3.355 -12.713 9.319 1.00 0.00 N ATOM 65 CZ ARG A 5 3.759 -13.225 10.486 1.00 0.00 C ATOM 66 NH1 ARG A 5 3.100 -12.950 11.609 1.00 0.00 N ATOM 67 NH2 ARG A 5 4.828 -14.012 10.531 1.00 0.00 N ATOM 0 H ARG A 5 3.436 -11.634 4.712 1.00 0.00 H new ATOM 0 HA ARG A 5 0.842 -10.576 5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.531 -11.115 6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.574 -9.819 7.493 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.655 -11.496 7.703 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.799 -12.746 7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.438 -10.840 9.518 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.379 -12.208 9.797 1.00 0.00 H new ATOM 0 HE ARG A 5 3.892 -12.944 8.483 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.280 -12.344 11.584 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.415 -13.345 12.495 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.340 -14.226 9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.136 -14.403 11.421 1.00 0.00 H new ATOM 81 N ILE A 6 1.163 -8.234 4.878 1.00 0.00 N ATOM 82 CA ILE A 6 1.306 -6.834 4.489 1.00 0.00 C ATOM 83 C ILE A 6 0.844 -5.907 5.613 1.00 0.00 C ATOM 84 O ILE A 6 -0.261 -6.064 6.142 1.00 0.00 O ATOM 85 CB ILE A 6 0.503 -6.516 3.206 1.00 0.00 C ATOM 86 CG1 ILE A 6 0.795 -7.551 2.114 1.00 0.00 C ATOM 87 CG2 ILE A 6 0.826 -5.113 2.709 1.00 0.00 C ATOM 88 CD1 ILE A 6 -0.216 -7.540 0.983 1.00 0.00 C ATOM 0 H ILE A 6 0.198 -8.562 4.919 1.00 0.00 H new ATOM 0 HA ILE A 6 2.364 -6.665 4.291 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.559 -6.562 3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.788 -7.365 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.816 -8.544 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.252 -4.906 1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.567 -4.386 3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.891 -5.042 2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.053 -8.297 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.208 -7.756 1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.221 -6.559 0.509 1.00 0.00 H new ATOM 100 N LYS A 7 1.694 -4.946 5.975 1.00 0.00 N ATOM 101 CA LYS A 7 1.373 -3.996 7.037 1.00 0.00 C ATOM 102 C LYS A 7 1.046 -2.619 6.460 1.00 0.00 C ATOM 103 O LYS A 7 1.825 -2.058 5.685 1.00 0.00 O ATOM 104 CB LYS A 7 2.538 -3.890 8.027 1.00 0.00 C ATOM 105 CG LYS A 7 2.508 -4.953 9.114 1.00 0.00 C ATOM 106 CD LYS A 7 3.259 -4.504 10.357 1.00 0.00 C ATOM 107 CE LYS A 7 2.860 -5.325 11.574 1.00 0.00 C ATOM 108 NZ LYS A 7 3.302 -4.688 12.845 1.00 0.00 N ATOM 0 H LYS A 7 2.610 -4.806 5.548 1.00 0.00 H new ATOM 0 HA LYS A 7 0.493 -4.363 7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.478 -3.967 7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.520 -2.905 8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.474 -5.178 9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.949 -5.875 8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.332 -4.597 10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.056 -3.450 10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.777 -5.450 11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.295 -6.322 11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.010 -5.279 13.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.338 -4.592 12.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.867 -3.747 12.931 1.00 0.00 H new ATOM 122 N PHE A 8 -0.114 -2.081 6.844 1.00 0.00 N ATOM 123 CA PHE A 8 -0.553 -0.768 6.371 1.00 0.00 C ATOM 124 C PHE A 8 -0.617 0.236 7.519 1.00 0.00 C ATOM 125 O PHE A 8 -0.994 -0.114 8.638 1.00 0.00 O ATOM 126 CB PHE A 8 -1.927 -0.878 5.705 1.00 0.00 C ATOM 127 CG PHE A 8 -1.906 -1.617 4.396 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.612 -0.954 3.216 1.00 0.00 C ATOM 129 CD2 PHE A 8 -2.179 -2.975 4.348 1.00 0.00 C ATOM 130 CE1 PHE A 8 -1.590 -1.629 2.012 1.00 0.00 C ATOM 131 CE2 PHE A 8 -2.159 -3.657 3.146 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.864 -2.984 1.976 1.00 0.00 C ATOM 0 H PHE A 8 -0.767 -2.536 7.482 1.00 0.00 H new ATOM 0 HA PHE A 8 0.175 -0.413 5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.612 -1.383 6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.322 0.124 5.540 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.397 0.104 3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.410 -3.506 5.260 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.359 -1.100 1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.374 -4.715 3.121 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.847 -3.515 1.036 1.00 0.00 H new ATOM 142 N GLU A 9 -0.254 1.489 7.231 1.00 0.00 N ATOM 143 CA GLU A 9 -0.272 2.546 8.240 1.00 0.00 C ATOM 144 C GLU A 9 -1.053 3.762 7.745 1.00 0.00 C ATOM 145 O GLU A 9 -0.793 4.282 6.658 1.00 0.00 O ATOM 146 CB GLU A 9 1.157 2.960 8.607 1.00 0.00 C ATOM 147 CG GLU A 9 1.404 3.039 10.106 1.00 0.00 C ATOM 148 CD GLU A 9 2.442 4.082 10.472 1.00 0.00 C ATOM 149 OE1 GLU A 9 3.647 3.757 10.438 1.00 0.00 O ATOM 150 OE2 GLU A 9 2.049 5.224 10.793 1.00 0.00 O ATOM 0 H GLU A 9 0.055 1.794 6.308 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.769 2.153 9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.856 2.247 8.169 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.371 3.931 8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.467 3.270 10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.730 2.064 10.469 1.00 0.00 H new ATOM 157 N HIS A 10 -2.011 4.212 8.559 1.00 0.00 N ATOM 158 CA HIS A 10 -2.833 5.368 8.221 1.00 0.00 C ATOM 159 C HIS A 10 -3.132 6.198 9.468 1.00 0.00 C ATOM 160 O HIS A 10 -3.750 5.706 10.414 1.00 0.00 O ATOM 161 CB HIS A 10 -4.142 4.915 7.568 1.00 0.00 C ATOM 162 CG HIS A 10 -4.871 6.013 6.854 1.00 0.00 C ATOM 163 ND1 HIS A 10 -6.244 6.114 6.833 1.00 0.00 N ATOM 164 CD2 HIS A 10 -4.408 7.058 6.127 1.00 0.00 C ATOM 165 CE1 HIS A 10 -6.596 7.171 6.123 1.00 0.00 C ATOM 166 NE2 HIS A 10 -5.500 7.762 5.685 1.00 0.00 N ATOM 0 H HIS A 10 -2.234 3.789 9.460 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.280 5.987 7.515 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.927 4.114 6.861 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.794 4.496 8.335 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.372 7.293 5.932 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.608 7.496 5.933 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.470 8.605 5.111 1.00 0.00 H new ATOM 175 N ASN A 11 -2.688 7.456 9.461 1.00 0.00 N ATOM 176 CA ASN A 11 -2.900 8.364 10.590 1.00 0.00 C ATOM 177 C ASN A 11 -2.294 7.801 11.880 1.00 0.00 C ATOM 178 O ASN A 11 -2.860 7.955 12.964 1.00 0.00 O ATOM 179 CB ASN A 11 -4.400 8.634 10.783 1.00 0.00 C ATOM 180 CG ASN A 11 -4.879 9.834 9.987 1.00 0.00 C ATOM 181 OD1 ASN A 11 -5.356 10.817 10.552 1.00 0.00 O ATOM 182 ND2 ASN A 11 -4.759 9.758 8.663 1.00 0.00 N ATOM 0 H ASN A 11 -2.177 7.871 8.682 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.395 9.303 10.363 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.967 7.753 10.483 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.604 8.799 11.841 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.068 10.534 8.078 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.358 8.924 8.234 1.00 0.00 H new ATOM 189 N GLY A 12 -1.139 7.146 11.753 1.00 0.00 N ATOM 190 CA GLY A 12 -0.476 6.567 12.910 1.00 0.00 C ATOM 191 C GLY A 12 -0.881 5.122 13.157 1.00 0.00 C ATOM 192 O GLY A 12 -0.025 4.262 13.375 1.00 0.00 O ATOM 0 H GLY A 12 -0.652 7.007 10.868 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.604 6.618 12.768 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.710 7.162 13.793 1.00 0.00 H new ATOM 196 N GLU A 13 -2.188 4.855 13.120 1.00 0.00 N ATOM 197 CA GLU A 13 -2.706 3.506 13.339 1.00 0.00 C ATOM 198 C GLU A 13 -2.367 2.594 12.162 1.00 0.00 C ATOM 199 O GLU A 13 -2.411 3.017 11.003 1.00 0.00 O ATOM 200 CB GLU A 13 -4.225 3.541 13.554 1.00 0.00 C ATOM 201 CG GLU A 13 -4.667 2.949 14.886 1.00 0.00 C ATOM 202 CD GLU A 13 -4.974 4.007 15.928 1.00 0.00 C ATOM 203 OE1 GLU A 13 -4.040 4.731 16.335 1.00 0.00 O ATOM 204 OE2 GLU A 13 -6.148 4.110 16.343 1.00 0.00 O ATOM 0 H GLU A 13 -2.906 5.557 12.940 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.231 3.106 14.235 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.568 4.574 13.493 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.711 2.996 12.745 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.553 2.333 14.728 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.884 2.291 15.263 1.00 0.00 H new ATOM 211 N ARG A 14 -2.025 1.341 12.466 1.00 0.00 N ATOM 212 CA ARG A 14 -1.673 0.369 11.433 1.00 0.00 C ATOM 213 C ARG A 14 -2.532 -0.892 11.540 1.00 0.00 C ATOM 214 O ARG A 14 -2.961 -1.274 12.631 1.00 0.00 O ATOM 215 CB ARG A 14 -0.188 0.000 11.527 1.00 0.00 C ATOM 216 CG ARG A 14 0.219 -0.600 12.863 1.00 0.00 C ATOM 217 CD ARG A 14 1.731 -0.620 13.025 1.00 0.00 C ATOM 218 NE ARG A 14 2.132 -0.902 14.404 1.00 0.00 N ATOM 219 CZ ARG A 14 3.341 -0.634 14.901 1.00 0.00 C ATOM 220 NH1 ARG A 14 4.281 -0.088 14.132 1.00 0.00 N ATOM 221 NH2 ARG A 14 3.614 -0.916 16.169 1.00 0.00 N ATOM 0 H ARG A 14 -1.985 0.977 13.418 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.865 0.831 10.465 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.050 -0.710 10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.410 0.893 11.345 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.228 -0.024 13.673 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.170 -1.615 12.941 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.156 -1.374 12.363 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.141 0.342 12.718 1.00 0.00 H new ATOM 0 HE ARG A 14 1.444 -1.330 15.024 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.079 0.128 13.156 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.203 0.114 14.519 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.900 -1.337 16.763 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.538 -0.711 16.549 1.00 0.00 H new ATOM 235 N ARG A 15 -2.773 -1.533 10.396 1.00 0.00 N ATOM 236 CA ARG A 15 -3.574 -2.753 10.350 1.00 0.00 C ATOM 237 C ARG A 15 -2.859 -3.846 9.559 1.00 0.00 C ATOM 238 O ARG A 15 -2.249 -3.578 8.521 1.00 0.00 O ATOM 239 CB ARG A 15 -4.949 -2.462 9.733 1.00 0.00 C ATOM 240 CG ARG A 15 -6.096 -2.572 10.725 1.00 0.00 C ATOM 241 CD ARG A 15 -7.144 -1.490 10.496 1.00 0.00 C ATOM 242 NE ARG A 15 -8.507 -2.015 10.596 1.00 0.00 N ATOM 243 CZ ARG A 15 -9.103 -2.337 11.747 1.00 0.00 C ATOM 244 NH1 ARG A 15 -8.462 -2.189 12.906 1.00 0.00 N ATOM 245 NH2 ARG A 15 -10.346 -2.808 11.741 1.00 0.00 N ATOM 0 H ARG A 15 -2.424 -1.226 9.488 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.713 -3.108 11.371 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.942 -1.458 9.308 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.123 -3.156 8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.561 -3.554 10.636 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.708 -2.494 11.741 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.008 -0.693 11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.998 -1.047 9.511 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.035 -2.143 9.732 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.508 -1.827 12.919 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.925 -2.437 13.780 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.843 -2.923 10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.802 -3.054 12.619 1.00 0.00 H new ATOM 259 N ILE A 16 -2.941 -5.078 10.059 1.00 0.00 N ATOM 260 CA ILE A 16 -2.305 -6.223 9.411 1.00 0.00 C ATOM 261 C ILE A 16 -3.320 -7.022 8.594 1.00 0.00 C ATOM 262 O ILE A 16 -4.415 -7.323 9.074 1.00 0.00 O ATOM 263 CB ILE A 16 -1.643 -7.160 10.449 1.00 0.00 C ATOM 264 CG1 ILE A 16 -0.769 -6.356 11.419 1.00 0.00 C ATOM 265 CG2 ILE A 16 -0.817 -8.235 9.755 1.00 0.00 C ATOM 266 CD1 ILE A 16 -1.436 -6.079 12.749 1.00 0.00 C ATOM 0 H ILE A 16 -3.445 -5.309 10.915 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.536 -5.828 8.747 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.433 -7.649 11.019 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.159 -6.900 11.594 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.500 -5.408 10.952 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.360 -8.883 10.503 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.462 -8.828 9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.036 -7.765 9.157 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.759 -5.507 13.383 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.350 -5.508 12.586 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.680 -7.023 13.237 1.00 0.00 H new ATOM 278 N ILE A 17 -2.949 -7.363 7.359 1.00 0.00 N ATOM 279 CA ILE A 17 -3.828 -8.127 6.477 1.00 0.00 C ATOM 280 C ILE A 17 -3.105 -9.336 5.879 1.00 0.00 C ATOM 281 O ILE A 17 -1.946 -9.238 5.462 1.00 0.00 O ATOM 282 CB ILE A 17 -4.394 -7.243 5.339 1.00 0.00 C ATOM 283 CG1 ILE A 17 -5.398 -8.033 4.490 1.00 0.00 C ATOM 284 CG2 ILE A 17 -3.268 -6.697 4.469 1.00 0.00 C ATOM 285 CD1 ILE A 17 -6.640 -8.453 5.247 1.00 0.00 C ATOM 0 H ILE A 17 -2.047 -7.122 6.949 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.657 -8.483 7.088 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.916 -6.399 5.790 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.693 -7.426 3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.906 -8.922 4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.688 -6.079 3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.595 -6.095 5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.714 -7.526 4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.302 -9.007 4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.357 -9.087 6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.156 -7.568 5.619 1.00 0.00 H new ATOM 297 N ALA A 18 -3.798 -10.474 5.838 1.00 0.00 N ATOM 298 CA ALA A 18 -3.234 -11.706 5.292 1.00 0.00 C ATOM 299 C ALA A 18 -3.513 -11.819 3.796 1.00 0.00 C ATOM 300 O ALA A 18 -4.646 -11.630 3.352 1.00 0.00 O ATOM 301 CB ALA A 18 -3.792 -12.916 6.031 1.00 0.00 C ATOM 0 H ALA A 18 -4.755 -10.567 6.178 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.153 -11.677 5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.363 -13.827 5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.537 -12.846 7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.876 -12.942 5.920 1.00 0.00 H new ATOM 307 N PHE A 19 -2.469 -12.125 3.025 1.00 0.00 N ATOM 308 CA PHE A 19 -2.594 -12.261 1.575 1.00 0.00 C ATOM 309 C PHE A 19 -1.921 -13.541 1.079 1.00 0.00 C ATOM 310 O PHE A 19 -0.744 -13.774 1.347 1.00 0.00 O ATOM 311 CB PHE A 19 -1.975 -11.047 0.878 1.00 0.00 C ATOM 312 CG PHE A 19 -2.965 -9.963 0.559 1.00 0.00 C ATOM 313 CD1 PHE A 19 -3.229 -8.955 1.472 1.00 0.00 C ATOM 314 CD2 PHE A 19 -3.632 -9.952 -0.656 1.00 0.00 C ATOM 315 CE1 PHE A 19 -4.138 -7.957 1.180 1.00 0.00 C ATOM 316 CE2 PHE A 19 -4.542 -8.956 -0.954 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.796 -7.957 -0.034 1.00 0.00 C ATOM 0 H PHE A 19 -1.527 -12.283 3.382 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.655 -12.317 1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.191 -10.635 1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.498 -11.374 -0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.718 -8.950 2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.438 -10.731 -1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.334 -7.177 1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.054 -8.958 -1.905 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.508 -7.178 -0.264 1.00 0.00 H new ATOM 327 N SER A 20 -2.675 -14.361 0.349 1.00 0.00 N ATOM 328 CA SER A 20 -2.151 -15.615 -0.194 1.00 0.00 C ATOM 329 C SER A 20 -1.751 -15.449 -1.659 1.00 0.00 C ATOM 330 O SER A 20 -2.419 -14.743 -2.415 1.00 0.00 O ATOM 331 CB SER A 20 -3.201 -16.724 -0.064 1.00 0.00 C ATOM 332 OG SER A 20 -3.299 -17.194 1.274 1.00 0.00 O ATOM 0 H SER A 20 -3.652 -14.180 0.119 1.00 0.00 H new ATOM 0 HA SER A 20 -1.264 -15.890 0.377 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.171 -16.349 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.941 -17.552 -0.724 1.00 0.00 H new ATOM 0 HG SER A 20 -2.435 -17.562 1.556 1.00 0.00 H new ATOM 338 N ARG A 21 -0.660 -16.107 -2.055 1.00 0.00 N ATOM 339 CA ARG A 21 -0.177 -16.034 -3.435 1.00 0.00 C ATOM 340 C ARG A 21 -1.069 -16.853 -4.371 1.00 0.00 C ATOM 341 O ARG A 21 -1.676 -17.838 -3.950 1.00 0.00 O ATOM 342 CB ARG A 21 1.265 -16.542 -3.522 1.00 0.00 C ATOM 343 CG ARG A 21 2.250 -15.728 -2.700 1.00 0.00 C ATOM 344 CD ARG A 21 3.468 -16.551 -2.317 1.00 0.00 C ATOM 345 NE ARG A 21 4.287 -15.880 -1.309 1.00 0.00 N ATOM 346 CZ ARG A 21 5.212 -16.493 -0.565 1.00 0.00 C ATOM 347 NH1 ARG A 21 5.464 -17.788 -0.731 1.00 0.00 N ATOM 348 NH2 ARG A 21 5.890 -15.801 0.343 1.00 0.00 N ATOM 0 H ARG A 21 -0.096 -16.695 -1.442 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.210 -14.990 -3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.296 -17.579 -3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.582 -16.534 -4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.565 -14.853 -3.269 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.758 -15.362 -1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.146 -17.520 -1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.070 -16.742 -3.205 1.00 0.00 H new ATOM 0 HE ARG A 21 4.143 -14.881 -1.165 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.949 -18.322 -1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.172 -18.247 -0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.704 -14.806 0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.597 -16.264 0.914 1.00 0.00 H new ATOM 362 N PRO A 22 -1.165 -16.458 -5.660 1.00 0.00 N ATOM 363 CA PRO A 22 -0.460 -15.290 -6.204 1.00 0.00 C ATOM 364 C PRO A 22 -1.117 -13.969 -5.808 1.00 0.00 C ATOM 365 O PRO A 22 -2.311 -13.764 -6.034 1.00 0.00 O ATOM 366 CB PRO A 22 -0.555 -15.501 -7.714 1.00 0.00 C ATOM 367 CG PRO A 22 -1.820 -16.266 -7.907 1.00 0.00 C ATOM 368 CD PRO A 22 -1.979 -17.135 -6.687 1.00 0.00 C ATOM 0 HA PRO A 22 0.560 -15.218 -5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.581 -14.550 -8.246 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.305 -16.054 -8.092 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.669 -15.592 -8.017 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.774 -16.871 -8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.023 -17.210 -6.383 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.627 -18.150 -6.871 1.00 0.00 H new ATOM 376 N VAL A 23 -0.327 -13.074 -5.218 1.00 0.00 N ATOM 377 CA VAL A 23 -0.828 -11.771 -4.792 1.00 0.00 C ATOM 378 C VAL A 23 -0.691 -10.736 -5.911 1.00 0.00 C ATOM 379 O VAL A 23 0.418 -10.394 -6.327 1.00 0.00 O ATOM 380 CB VAL A 23 -0.104 -11.278 -3.516 1.00 0.00 C ATOM 381 CG1 VAL A 23 1.388 -11.094 -3.765 1.00 0.00 C ATOM 382 CG2 VAL A 23 -0.731 -9.989 -3.005 1.00 0.00 C ATOM 0 H VAL A 23 0.663 -13.228 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.886 -11.891 -4.559 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.221 -12.043 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.869 -10.747 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.826 -12.045 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.537 -10.358 -4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.207 -9.660 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.655 -9.218 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.781 -10.164 -2.769 1.00 0.00 H new ATOM 392 N LYS A 24 -1.831 -10.252 -6.400 1.00 0.00 N ATOM 393 CA LYS A 24 -1.855 -9.265 -7.477 1.00 0.00 C ATOM 394 C LYS A 24 -2.070 -7.858 -6.928 1.00 0.00 C ATOM 395 O LYS A 24 -2.903 -7.649 -6.046 1.00 0.00 O ATOM 396 CB LYS A 24 -2.964 -9.608 -8.476 1.00 0.00 C ATOM 397 CG LYS A 24 -2.448 -10.014 -9.846 1.00 0.00 C ATOM 398 CD LYS A 24 -1.835 -11.407 -9.823 1.00 0.00 C ATOM 399 CE LYS A 24 -2.078 -12.144 -11.133 1.00 0.00 C ATOM 400 NZ LYS A 24 -3.483 -12.628 -11.252 1.00 0.00 N ATOM 0 H LYS A 24 -2.754 -10.529 -6.066 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.890 -9.291 -7.983 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.568 -10.419 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.621 -8.745 -8.586 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.266 -9.987 -10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.703 -9.293 -10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.763 -11.331 -9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.259 -11.979 -8.998 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.851 -11.482 -11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.396 -12.991 -11.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.570 -13.238 -12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.737 -13.170 -10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.124 -11.814 -11.347 1.00 0.00 H new ATOM 414 N TYR A 25 -1.315 -6.895 -7.462 1.00 0.00 N ATOM 415 CA TYR A 25 -1.424 -5.498 -7.032 1.00 0.00 C ATOM 416 C TYR A 25 -2.856 -4.984 -7.185 1.00 0.00 C ATOM 417 O TYR A 25 -3.354 -4.259 -6.324 1.00 0.00 O ATOM 418 CB TYR A 25 -0.466 -4.612 -7.836 1.00 0.00 C ATOM 419 CG TYR A 25 -0.433 -3.174 -7.363 1.00 0.00 C ATOM 420 CD1 TYR A 25 0.168 -2.835 -6.158 1.00 0.00 C ATOM 421 CD2 TYR A 25 -0.999 -2.155 -8.123 1.00 0.00 C ATOM 422 CE1 TYR A 25 0.200 -1.524 -5.720 1.00 0.00 C ATOM 423 CE2 TYR A 25 -0.969 -0.843 -7.691 1.00 0.00 C ATOM 424 CZ TYR A 25 -0.368 -0.532 -6.491 1.00 0.00 C ATOM 425 OH TYR A 25 -0.334 0.774 -6.058 1.00 0.00 O ATOM 0 H TYR A 25 -0.622 -7.056 -8.193 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.152 -5.453 -5.978 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.539 -5.029 -7.776 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.758 -4.634 -8.886 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.618 -3.608 -5.553 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.469 -2.393 -9.066 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.668 -1.278 -4.778 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.415 -0.064 -8.292 1.00 0.00 H new ATOM 0 HH TYR A 25 0.500 1.195 -6.354 1.00 0.00 H new ATOM 435 N GLU A 26 -3.509 -5.363 -8.285 1.00 0.00 N ATOM 436 CA GLU A 26 -4.883 -4.941 -8.548 1.00 0.00 C ATOM 437 C GLU A 26 -5.838 -5.488 -7.490 1.00 0.00 C ATOM 438 O GLU A 26 -6.700 -4.766 -6.988 1.00 0.00 O ATOM 439 CB GLU A 26 -5.329 -5.407 -9.937 1.00 0.00 C ATOM 440 CG GLU A 26 -6.256 -4.428 -10.640 1.00 0.00 C ATOM 441 CD GLU A 26 -6.375 -4.698 -12.127 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.938 -5.752 -12.497 1.00 0.00 O ATOM 443 OE2 GLU A 26 -5.905 -3.860 -12.921 1.00 0.00 O ATOM 0 H GLU A 26 -3.107 -5.961 -9.007 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.910 -3.852 -8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.447 -5.568 -10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.833 -6.369 -9.844 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.245 -4.481 -10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.889 -3.413 -10.488 1.00 0.00 H new ATOM 450 N ASP A 27 -5.679 -6.769 -7.157 1.00 0.00 N ATOM 451 CA ASP A 27 -6.530 -7.414 -6.160 1.00 0.00 C ATOM 452 C ASP A 27 -6.304 -6.824 -4.770 1.00 0.00 C ATOM 453 O ASP A 27 -7.259 -6.550 -4.045 1.00 0.00 O ATOM 454 CB ASP A 27 -6.277 -8.924 -6.134 1.00 0.00 C ATOM 455 CG ASP A 27 -7.517 -9.707 -5.749 1.00 0.00 C ATOM 456 OD1 ASP A 27 -8.444 -9.795 -6.581 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.562 -10.228 -4.614 1.00 0.00 O ATOM 0 H ASP A 27 -4.969 -7.379 -7.563 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.566 -7.231 -6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.934 -9.250 -7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.477 -9.144 -5.428 1.00 0.00 H new ATOM 462 N VAL A 28 -5.037 -6.625 -4.408 1.00 0.00 N ATOM 463 CA VAL A 28 -4.694 -6.060 -3.106 1.00 0.00 C ATOM 464 C VAL A 28 -5.188 -4.621 -2.995 1.00 0.00 C ATOM 465 O VAL A 28 -5.807 -4.242 -2.000 1.00 0.00 O ATOM 466 CB VAL A 28 -3.171 -6.092 -2.847 1.00 0.00 C ATOM 467 CG1 VAL A 28 -2.850 -5.592 -1.444 1.00 0.00 C ATOM 468 CG2 VAL A 28 -2.616 -7.495 -3.057 1.00 0.00 C ATOM 0 H VAL A 28 -4.234 -6.846 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.186 -6.678 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.692 -5.425 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.772 -5.624 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.203 -4.567 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.344 -6.227 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.542 -7.493 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.104 -8.186 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.804 -7.811 -4.083 1.00 0.00 H new ATOM 478 N GLU A 29 -4.909 -3.826 -4.028 1.00 0.00 N ATOM 479 CA GLU A 29 -5.323 -2.427 -4.061 1.00 0.00 C ATOM 480 C GLU A 29 -6.842 -2.301 -3.968 1.00 0.00 C ATOM 481 O GLU A 29 -7.355 -1.443 -3.250 1.00 0.00 O ATOM 482 CB GLU A 29 -4.822 -1.760 -5.345 1.00 0.00 C ATOM 483 CG GLU A 29 -5.137 -0.276 -5.426 1.00 0.00 C ATOM 484 CD GLU A 29 -5.930 0.082 -6.668 1.00 0.00 C ATOM 485 OE1 GLU A 29 -5.352 0.035 -7.775 1.00 0.00 O ATOM 486 OE2 GLU A 29 -7.128 0.408 -6.533 1.00 0.00 O ATOM 0 H GLU A 29 -4.396 -4.130 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.885 -1.924 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.743 -1.898 -5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.267 -2.264 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.700 0.022 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.206 0.291 -5.417 1.00 0.00 H new ATOM 493 N HIS A 30 -7.556 -3.160 -4.696 1.00 0.00 N ATOM 494 CA HIS A 30 -9.017 -3.142 -4.689 1.00 0.00 C ATOM 495 C HIS A 30 -9.562 -3.308 -3.269 1.00 0.00 C ATOM 496 O HIS A 30 -10.505 -2.620 -2.876 1.00 0.00 O ATOM 497 CB HIS A 30 -9.568 -4.247 -5.596 1.00 0.00 C ATOM 498 CG HIS A 30 -10.409 -3.744 -6.732 1.00 0.00 C ATOM 499 ND1 HIS A 30 -10.209 -2.521 -7.346 1.00 0.00 N ATOM 500 CD2 HIS A 30 -11.460 -4.313 -7.369 1.00 0.00 C ATOM 501 CE1 HIS A 30 -11.099 -2.364 -8.309 1.00 0.00 C ATOM 502 NE2 HIS A 30 -11.868 -3.436 -8.344 1.00 0.00 N ATOM 0 H HIS A 30 -7.146 -3.875 -5.297 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.343 -2.174 -5.070 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.734 -4.819 -6.001 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -10.163 -4.934 -4.994 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.896 -5.277 -7.151 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.183 -1.505 -8.958 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.641 -3.589 -8.991 1.00 0.00 H new ATOM 511 N LYS A 31 -8.960 -4.220 -2.505 1.00 0.00 N ATOM 512 CA LYS A 31 -9.383 -4.470 -1.127 1.00 0.00 C ATOM 513 C LYS A 31 -9.038 -3.286 -0.224 1.00 0.00 C ATOM 514 O LYS A 31 -9.891 -2.800 0.519 1.00 0.00 O ATOM 515 CB LYS A 31 -8.728 -5.747 -0.588 1.00 0.00 C ATOM 516 CG LYS A 31 -9.467 -7.020 -0.971 1.00 0.00 C ATOM 517 CD LYS A 31 -8.510 -8.121 -1.401 1.00 0.00 C ATOM 518 CE LYS A 31 -8.058 -8.965 -0.219 1.00 0.00 C ATOM 519 NZ LYS A 31 -7.452 -10.255 -0.651 1.00 0.00 N ATOM 0 H LYS A 31 -8.179 -4.797 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.465 -4.599 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.705 -5.805 -0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.669 -5.684 0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.060 -7.365 -0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.163 -6.806 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.997 -8.759 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.640 -7.678 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.333 -8.404 0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.910 -9.165 0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.590 -10.970 0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.908 -10.576 -1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.434 -10.122 -0.818 1.00 0.00 H new ATOM 533 N VAL A 32 -7.790 -2.825 -0.294 1.00 0.00 N ATOM 534 CA VAL A 32 -7.343 -1.696 0.523 1.00 0.00 C ATOM 535 C VAL A 32 -8.137 -0.430 0.208 1.00 0.00 C ATOM 536 O VAL A 32 -8.492 0.325 1.115 1.00 0.00 O ATOM 537 CB VAL A 32 -5.838 -1.406 0.335 1.00 0.00 C ATOM 538 CG1 VAL A 32 -5.377 -0.323 1.301 1.00 0.00 C ATOM 539 CG2 VAL A 32 -5.016 -2.674 0.516 1.00 0.00 C ATOM 0 H VAL A 32 -7.072 -3.214 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.518 -1.983 1.560 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.685 -1.046 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.314 -0.132 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.939 0.593 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.548 -0.653 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.959 -2.445 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.174 -3.070 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.325 -3.416 -0.220 1.00 0.00 H new ATOM 549 N THR A 33 -8.411 -0.203 -1.077 1.00 0.00 N ATOM 550 CA THR A 33 -9.161 0.975 -1.504 1.00 0.00 C ATOM 551 C THR A 33 -10.547 1.003 -0.855 1.00 0.00 C ATOM 552 O THR A 33 -11.006 2.053 -0.420 1.00 0.00 O ATOM 553 CB THR A 33 -9.280 1.009 -3.031 1.00 0.00 C ATOM 554 OG1 THR A 33 -7.999 1.107 -3.625 1.00 0.00 O ATOM 555 CG2 THR A 33 -10.107 2.164 -3.552 1.00 0.00 C ATOM 0 H THR A 33 -8.125 -0.819 -1.838 1.00 0.00 H new ATOM 0 HA THR A 33 -8.617 1.862 -1.179 1.00 0.00 H new ATOM 0 HB THR A 33 -9.781 0.078 -3.298 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.569 0.226 -3.622 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.146 2.122 -4.640 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.118 2.098 -3.150 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.654 3.105 -3.242 1.00 0.00 H new ATOM 563 N THR A 34 -11.207 -0.153 -0.788 1.00 0.00 N ATOM 564 CA THR A 34 -12.535 -0.237 -0.175 1.00 0.00 C ATOM 565 C THR A 34 -12.459 -0.097 1.348 1.00 0.00 C ATOM 566 O THR A 34 -13.386 0.420 1.973 1.00 0.00 O ATOM 567 CB THR A 34 -13.226 -1.550 -0.554 1.00 0.00 C ATOM 568 OG1 THR A 34 -13.279 -1.703 -1.964 1.00 0.00 O ATOM 569 CG2 THR A 34 -14.643 -1.654 -0.030 1.00 0.00 C ATOM 0 H THR A 34 -10.849 -1.038 -1.147 1.00 0.00 H new ATOM 0 HA THR A 34 -13.127 0.593 -0.560 1.00 0.00 H new ATOM 0 HB THR A 34 -12.625 -2.334 -0.093 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.404 -1.996 -2.294 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.074 -2.608 -0.334 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.634 -1.590 1.058 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.242 -0.839 -0.436 1.00 0.00 H new ATOM 577 N VAL A 35 -11.359 -0.564 1.944 1.00 0.00 N ATOM 578 CA VAL A 35 -11.185 -0.490 3.394 1.00 0.00 C ATOM 579 C VAL A 35 -11.122 0.961 3.882 1.00 0.00 C ATOM 580 O VAL A 35 -11.888 1.357 4.760 1.00 0.00 O ATOM 581 CB VAL A 35 -9.908 -1.228 3.862 1.00 0.00 C ATOM 582 CG1 VAL A 35 -9.791 -1.194 5.381 1.00 0.00 C ATOM 583 CG2 VAL A 35 -9.893 -2.667 3.359 1.00 0.00 C ATOM 0 H VAL A 35 -10.580 -0.995 1.446 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.057 -0.980 3.827 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.048 -0.710 3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.886 -1.719 5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.743 -0.159 5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.660 -1.680 5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.985 -3.163 3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.764 -3.197 3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.920 -2.672 2.269 1.00 0.00 H new ATOM 593 N PHE A 36 -10.192 1.739 3.326 1.00 0.00 N ATOM 594 CA PHE A 36 -10.020 3.138 3.732 1.00 0.00 C ATOM 595 C PHE A 36 -10.729 4.127 2.796 1.00 0.00 C ATOM 596 O PHE A 36 -10.828 5.313 3.117 1.00 0.00 O ATOM 597 CB PHE A 36 -8.531 3.484 3.805 1.00 0.00 C ATOM 598 CG PHE A 36 -7.750 2.615 4.751 1.00 0.00 C ATOM 599 CD1 PHE A 36 -7.227 1.401 4.329 1.00 0.00 C ATOM 600 CD2 PHE A 36 -7.537 3.013 6.060 1.00 0.00 C ATOM 601 CE1 PHE A 36 -6.508 0.603 5.196 1.00 0.00 C ATOM 602 CE2 PHE A 36 -6.818 2.218 6.933 1.00 0.00 C ATOM 603 CZ PHE A 36 -6.303 1.011 6.499 1.00 0.00 C ATOM 0 H PHE A 36 -9.549 1.428 2.598 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.481 3.236 4.715 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.099 3.399 2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.424 4.525 4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.384 1.077 3.311 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.937 3.956 6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.106 -0.340 4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.659 2.539 7.952 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.741 0.388 7.178 1.00 0.00 H new ATOM 613 N GLY A 37 -11.211 3.655 1.645 1.00 0.00 N ATOM 614 CA GLY A 37 -11.885 4.539 0.708 1.00 0.00 C ATOM 615 C GLY A 37 -10.980 4.974 -0.435 1.00 0.00 C ATOM 616 O GLY A 37 -9.865 4.473 -0.578 1.00 0.00 O ATOM 0 H GLY A 37 -11.147 2.682 1.347 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.761 4.033 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.244 5.421 1.239 1.00 0.00 H new ATOM 620 N GLN A 38 -11.463 5.906 -1.254 1.00 0.00 N ATOM 621 CA GLN A 38 -10.690 6.406 -2.393 1.00 0.00 C ATOM 622 C GLN A 38 -10.928 7.900 -2.614 1.00 0.00 C ATOM 623 O GLN A 38 -11.956 8.439 -2.197 1.00 0.00 O ATOM 624 CB GLN A 38 -11.041 5.628 -3.669 1.00 0.00 C ATOM 625 CG GLN A 38 -12.533 5.407 -3.873 1.00 0.00 C ATOM 626 CD GLN A 38 -12.975 5.661 -5.304 1.00 0.00 C ATOM 627 OE1 GLN A 38 -12.476 6.570 -5.969 1.00 0.00 O ATOM 628 NE2 GLN A 38 -13.917 4.858 -5.788 1.00 0.00 N ATOM 0 H GLN A 38 -12.385 6.331 -1.152 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.635 6.257 -2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.643 6.165 -4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.542 4.659 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.785 4.384 -3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.088 6.065 -3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -14.305 4.117 -5.204 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.252 4.983 -6.743 1.00 0.00 H new ATOM 637 N PRO A 39 -9.975 8.593 -3.273 1.00 0.00 N ATOM 638 CA PRO A 39 -8.739 7.994 -3.787 1.00 0.00 C ATOM 639 C PRO A 39 -7.661 7.839 -2.712 1.00 0.00 C ATOM 640 O PRO A 39 -7.631 8.590 -1.734 1.00 0.00 O ATOM 641 CB PRO A 39 -8.271 8.990 -4.863 1.00 0.00 C ATOM 642 CG PRO A 39 -9.294 10.085 -4.892 1.00 0.00 C ATOM 643 CD PRO A 39 -10.024 10.022 -3.581 1.00 0.00 C ATOM 0 HA PRO A 39 -8.914 6.985 -4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.284 9.386 -4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.193 8.504 -5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.818 11.057 -5.025 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.983 9.951 -5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.536 10.622 -2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.048 10.386 -3.666 1.00 0.00 H new ATOM 651 N LEU A 40 -6.776 6.861 -2.907 1.00 0.00 N ATOM 652 CA LEU A 40 -5.687 6.602 -1.966 1.00 0.00 C ATOM 653 C LEU A 40 -4.371 6.357 -2.704 1.00 0.00 C ATOM 654 O LEU A 40 -4.363 5.832 -3.820 1.00 0.00 O ATOM 655 CB LEU A 40 -6.014 5.386 -1.090 1.00 0.00 C ATOM 656 CG LEU A 40 -7.033 5.630 0.029 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.355 4.326 0.743 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.513 6.665 1.019 1.00 0.00 C ATOM 0 H LEU A 40 -6.793 6.234 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.577 7.484 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.390 4.589 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.089 5.024 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.948 6.018 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.080 4.514 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.773 3.615 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.444 3.913 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.253 6.822 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.583 6.309 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.330 7.606 0.500 1.00 0.00 H new ATOM 670 N ASP A 41 -3.260 6.732 -2.070 1.00 0.00 N ATOM 671 CA ASP A 41 -1.935 6.548 -2.657 1.00 0.00 C ATOM 672 C ASP A 41 -1.102 5.577 -1.822 1.00 0.00 C ATOM 673 O ASP A 41 -0.848 5.823 -0.641 1.00 0.00 O ATOM 674 CB ASP A 41 -1.211 7.893 -2.770 1.00 0.00 C ATOM 675 CG ASP A 41 -1.327 8.498 -4.157 1.00 0.00 C ATOM 676 OD1 ASP A 41 -0.514 8.135 -5.033 1.00 0.00 O ATOM 677 OD2 ASP A 41 -2.232 9.332 -4.366 1.00 0.00 O ATOM 0 H ASP A 41 -3.253 7.166 -1.147 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.062 6.128 -3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.624 8.587 -2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.158 7.758 -2.523 1.00 0.00 H new ATOM 682 N LEU A 42 -0.677 4.474 -2.442 1.00 0.00 N ATOM 683 CA LEU A 42 0.129 3.467 -1.754 1.00 0.00 C ATOM 684 C LEU A 42 1.603 3.880 -1.725 1.00 0.00 C ATOM 685 O LEU A 42 2.336 3.673 -2.694 1.00 0.00 O ATOM 686 CB LEU A 42 -0.028 2.099 -2.429 1.00 0.00 C ATOM 687 CG LEU A 42 -1.402 1.443 -2.262 1.00 0.00 C ATOM 688 CD1 LEU A 42 -1.561 0.278 -3.229 1.00 0.00 C ATOM 689 CD2 LEU A 42 -1.602 0.977 -0.827 1.00 0.00 C ATOM 0 H LEU A 42 -0.878 4.257 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.227 3.390 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.176 2.212 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.730 1.425 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.166 2.186 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.543 -0.175 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.465 0.639 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.789 -0.466 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.584 0.514 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.831 0.251 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.535 1.832 -0.154 1.00 0.00 H new ATOM 701 N HIS A 43 2.024 4.473 -0.607 1.00 0.00 N ATOM 702 CA HIS A 43 3.406 4.929 -0.444 1.00 0.00 C ATOM 703 C HIS A 43 4.239 3.909 0.332 1.00 0.00 C ATOM 704 O HIS A 43 4.005 3.673 1.518 1.00 0.00 O ATOM 705 CB HIS A 43 3.429 6.281 0.277 1.00 0.00 C ATOM 706 CG HIS A 43 4.416 7.255 -0.294 1.00 0.00 C ATOM 707 ND1 HIS A 43 4.372 8.609 -0.030 1.00 0.00 N ATOM 708 CD2 HIS A 43 5.477 7.069 -1.116 1.00 0.00 C ATOM 709 CE1 HIS A 43 5.362 9.212 -0.664 1.00 0.00 C ATOM 710 NE2 HIS A 43 6.046 8.301 -1.330 1.00 0.00 N ATOM 0 H HIS A 43 1.427 4.649 0.201 1.00 0.00 H new ATOM 0 HA HIS A 43 3.845 5.039 -1.436 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.433 6.721 0.236 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.662 6.117 1.329 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.813 6.128 -1.526 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.575 10.271 -0.641 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.865 8.482 -1.910 1.00 0.00 H new ATOM 719 N TYR A 44 5.218 3.310 -0.346 1.00 0.00 N ATOM 720 CA TYR A 44 6.088 2.320 0.275 1.00 0.00 C ATOM 721 C TYR A 44 7.412 2.954 0.699 1.00 0.00 C ATOM 722 O TYR A 44 8.121 3.539 -0.121 1.00 0.00 O ATOM 723 CB TYR A 44 6.335 1.162 -0.700 1.00 0.00 C ATOM 724 CG TYR A 44 7.427 0.209 -0.267 1.00 0.00 C ATOM 725 CD1 TYR A 44 8.763 0.511 -0.491 1.00 0.00 C ATOM 726 CD2 TYR A 44 7.122 -0.990 0.362 1.00 0.00 C ATOM 727 CE1 TYR A 44 9.766 -0.353 -0.098 1.00 0.00 C ATOM 728 CE2 TYR A 44 8.118 -1.860 0.759 1.00 0.00 C ATOM 729 CZ TYR A 44 9.438 -1.539 0.526 1.00 0.00 C ATOM 730 OH TYR A 44 10.434 -2.404 0.921 1.00 0.00 O ATOM 0 H TYR A 44 5.426 3.496 -1.327 1.00 0.00 H new ATOM 0 HA TYR A 44 5.598 1.933 1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.408 0.602 -0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.593 1.573 -1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.023 1.438 -0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.089 -1.247 0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.801 -0.102 -0.278 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.864 -2.788 1.250 1.00 0.00 H new ATOM 0 HH TYR A 44 11.171 -1.895 1.319 1.00 0.00 H new ATOM 740 N MET A 45 7.742 2.834 1.983 1.00 0.00 N ATOM 741 CA MET A 45 8.983 3.394 2.514 1.00 0.00 C ATOM 742 C MET A 45 9.788 2.323 3.245 1.00 0.00 C ATOM 743 O MET A 45 9.249 1.594 4.077 1.00 0.00 O ATOM 744 CB MET A 45 8.681 4.556 3.467 1.00 0.00 C ATOM 745 CG MET A 45 7.761 5.615 2.879 1.00 0.00 C ATOM 746 SD MET A 45 6.570 6.246 4.081 1.00 0.00 S ATOM 747 CE MET A 45 5.620 7.377 3.068 1.00 0.00 C ATOM 0 H MET A 45 7.167 2.354 2.675 1.00 0.00 H new ATOM 0 HA MET A 45 9.573 3.766 1.676 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.227 4.159 4.375 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.620 5.026 3.759 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.361 6.442 2.499 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.225 5.194 2.029 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.753 8.394 3.436 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.963 7.317 2.035 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.564 7.109 3.116 1.00 0.00 H new ATOM 757 N ASN A 46 11.081 2.239 2.937 1.00 0.00 N ATOM 758 CA ASN A 46 11.954 1.256 3.577 1.00 0.00 C ATOM 759 C ASN A 46 12.324 1.704 4.991 1.00 0.00 C ATOM 760 O ASN A 46 12.297 0.908 5.931 1.00 0.00 O ATOM 761 CB ASN A 46 13.221 1.034 2.744 1.00 0.00 C ATOM 762 CG ASN A 46 13.064 -0.105 1.752 1.00 0.00 C ATOM 763 OD1 ASN A 46 12.980 -1.271 2.138 1.00 0.00 O ATOM 764 ND2 ASN A 46 13.022 0.226 0.465 1.00 0.00 N ATOM 0 H ASN A 46 11.545 2.836 2.252 1.00 0.00 H new ATOM 0 HA ASN A 46 11.412 0.313 3.642 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.465 1.950 2.207 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.058 0.821 3.409 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.917 -0.499 -0.245 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.095 1.205 0.187 1.00 0.00 H new ATOM 771 N ASN A 47 12.660 2.989 5.128 1.00 0.00 N ATOM 772 CA ASN A 47 13.030 3.565 6.423 1.00 0.00 C ATOM 773 C ASN A 47 13.218 5.079 6.305 1.00 0.00 C ATOM 774 O ASN A 47 12.663 5.844 7.096 1.00 0.00 O ATOM 775 CB ASN A 47 14.306 2.911 6.974 1.00 0.00 C ATOM 776 CG ASN A 47 15.411 2.791 5.937 1.00 0.00 C ATOM 777 OD1 ASN A 47 15.413 1.869 5.122 1.00 0.00 O ATOM 778 ND2 ASN A 47 16.355 3.725 5.962 1.00 0.00 N ATOM 0 H ASN A 47 12.683 3.653 4.354 1.00 0.00 H new ATOM 0 HA ASN A 47 12.217 3.367 7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.671 3.495 7.819 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.063 1.919 7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 47 17.120 3.695 5.288 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.315 4.472 6.655 1.00 0.00 H new ATOM 785 N GLU A 48 14.002 5.502 5.312 1.00 0.00 N ATOM 786 CA GLU A 48 14.264 6.922 5.083 1.00 0.00 C ATOM 787 C GLU A 48 13.783 7.362 3.697 1.00 0.00 C ATOM 788 O GLU A 48 13.295 8.481 3.529 1.00 0.00 O ATOM 789 CB GLU A 48 15.760 7.211 5.231 1.00 0.00 C ATOM 790 CG GLU A 48 16.134 7.845 6.563 1.00 0.00 C ATOM 791 CD GLU A 48 15.619 9.268 6.701 1.00 0.00 C ATOM 792 OE1 GLU A 48 15.639 10.013 5.697 1.00 0.00 O ATOM 793 OE2 GLU A 48 15.195 9.639 7.816 1.00 0.00 O ATOM 0 H GLU A 48 14.467 4.879 4.652 1.00 0.00 H new ATOM 0 HA GLU A 48 13.709 7.490 5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.314 6.279 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.075 7.872 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.733 7.238 7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.219 7.844 6.669 1.00 0.00 H new ATOM 800 N LEU A 49 13.929 6.482 2.704 1.00 0.00 N ATOM 801 CA LEU A 49 13.518 6.788 1.338 1.00 0.00 C ATOM 802 C LEU A 49 12.111 6.265 1.053 1.00 0.00 C ATOM 803 O LEU A 49 11.783 5.122 1.381 1.00 0.00 O ATOM 804 CB LEU A 49 14.510 6.180 0.343 1.00 0.00 C ATOM 805 CG LEU A 49 15.670 7.092 -0.062 1.00 0.00 C ATOM 806 CD1 LEU A 49 16.697 7.194 1.059 1.00 0.00 C ATOM 807 CD2 LEU A 49 16.321 6.578 -1.340 1.00 0.00 C ATOM 0 H LEU A 49 14.330 5.552 2.824 1.00 0.00 H new ATOM 0 HA LEU A 49 13.508 7.872 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.920 5.268 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.966 5.890 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 49 15.274 8.091 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 49 17.512 7.847 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.223 7.605 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.092 6.203 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 49 17.145 7.235 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.701 5.570 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.584 6.561 -2.143 1.00 0.00 H new ATOM 819 N SER A 50 11.287 7.111 0.433 1.00 0.00 N ATOM 820 CA SER A 50 9.915 6.740 0.093 1.00 0.00 C ATOM 821 C SER A 50 9.782 6.462 -1.403 1.00 0.00 C ATOM 822 O SER A 50 10.063 7.329 -2.234 1.00 0.00 O ATOM 823 CB SER A 50 8.941 7.848 0.511 1.00 0.00 C ATOM 824 OG SER A 50 9.178 9.044 -0.210 1.00 0.00 O ATOM 0 H SER A 50 11.547 8.058 0.157 1.00 0.00 H new ATOM 0 HA SER A 50 9.667 5.829 0.637 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.916 7.517 0.342 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.042 8.039 1.579 1.00 0.00 H new ATOM 0 HG SER A 50 9.558 8.827 -1.087 1.00 0.00 H new ATOM 830 N ILE A 51 9.355 5.246 -1.737 1.00 0.00 N ATOM 831 CA ILE A 51 9.181 4.843 -3.130 1.00 0.00 C ATOM 832 C ILE A 51 7.708 4.574 -3.439 1.00 0.00 C ATOM 833 O ILE A 51 7.023 3.874 -2.689 1.00 0.00 O ATOM 834 CB ILE A 51 10.006 3.576 -3.457 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.455 3.737 -2.979 1.00 0.00 C ATOM 836 CG2 ILE A 51 9.970 3.281 -4.953 1.00 0.00 C ATOM 837 CD1 ILE A 51 11.986 2.532 -2.233 1.00 0.00 C ATOM 0 H ILE A 51 9.122 4.520 -1.059 1.00 0.00 H new ATOM 0 HA ILE A 51 9.537 5.667 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 51 9.559 2.734 -2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.093 3.930 -3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.520 4.612 -2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.556 2.386 -5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.939 3.121 -5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.389 4.125 -5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.015 2.719 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.372 2.350 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.954 1.658 -2.884 1.00 0.00 H new ATOM 849 N LEU A 52 7.230 5.130 -4.550 1.00 0.00 N ATOM 850 CA LEU A 52 5.841 4.948 -4.967 1.00 0.00 C ATOM 851 C LEU A 52 5.697 3.697 -5.827 1.00 0.00 C ATOM 852 O LEU A 52 6.477 3.479 -6.753 1.00 0.00 O ATOM 853 CB LEU A 52 5.355 6.173 -5.748 1.00 0.00 C ATOM 854 CG LEU A 52 3.834 6.371 -5.780 1.00 0.00 C ATOM 855 CD1 LEU A 52 3.487 7.799 -6.173 1.00 0.00 C ATOM 856 CD2 LEU A 52 3.183 5.379 -6.738 1.00 0.00 C ATOM 0 H LEU A 52 7.785 5.711 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 52 5.230 4.830 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.811 7.063 -5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.716 6.096 -6.774 1.00 0.00 H new ATOM 0 HG LEU A 52 3.445 6.187 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.404 7.919 -6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.917 8.491 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.891 8.012 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.104 5.536 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.579 5.529 -7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.399 4.362 -6.411 1.00 0.00 H new ATOM 868 N LEU A 53 4.691 2.879 -5.518 1.00 0.00 N ATOM 869 CA LEU A 53 4.440 1.650 -6.268 1.00 0.00 C ATOM 870 C LEU A 53 3.262 1.831 -7.221 1.00 0.00 C ATOM 871 O LEU A 53 2.104 1.662 -6.830 1.00 0.00 O ATOM 872 CB LEU A 53 4.165 0.483 -5.314 1.00 0.00 C ATOM 873 CG LEU A 53 5.111 0.381 -4.115 1.00 0.00 C ATOM 874 CD1 LEU A 53 4.388 -0.213 -2.915 1.00 0.00 C ATOM 875 CD2 LEU A 53 6.335 -0.448 -4.473 1.00 0.00 C ATOM 0 H LEU A 53 4.037 3.046 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 53 5.332 1.424 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.144 0.571 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.220 -0.447 -5.879 1.00 0.00 H new ATOM 0 HG LEU A 53 5.444 1.384 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.076 -0.278 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.544 0.423 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.025 -1.210 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.997 -0.511 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.023 -1.451 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.863 0.023 -5.302 1.00 0.00 H new ATOM 887 N LYS A 54 3.560 2.177 -8.473 1.00 0.00 N ATOM 888 CA LYS A 54 2.520 2.382 -9.482 1.00 0.00 C ATOM 889 C LYS A 54 2.539 1.274 -10.541 1.00 0.00 C ATOM 890 O LYS A 54 2.132 1.492 -11.686 1.00 0.00 O ATOM 891 CB LYS A 54 2.679 3.756 -10.147 1.00 0.00 C ATOM 892 CG LYS A 54 4.070 4.021 -10.708 1.00 0.00 C ATOM 893 CD LYS A 54 4.765 5.152 -9.964 1.00 0.00 C ATOM 894 CE LYS A 54 5.596 6.018 -10.902 1.00 0.00 C ATOM 895 NZ LYS A 54 7.040 5.654 -10.865 1.00 0.00 N ATOM 0 H LYS A 54 4.511 2.321 -8.813 1.00 0.00 H new ATOM 0 HA LYS A 54 1.556 2.344 -8.975 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.951 3.843 -10.954 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.440 4.530 -9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.671 3.114 -10.637 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.995 4.272 -11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.020 5.770 -9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.408 4.736 -9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.221 5.912 -11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.479 7.066 -10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.569 6.267 -11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.405 5.779 -9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.155 4.661 -11.153 1.00 0.00 H new ATOM 909 N ASN A 55 3.005 0.085 -10.151 1.00 0.00 N ATOM 910 CA ASN A 55 3.073 -1.062 -11.061 1.00 0.00 C ATOM 911 C ASN A 55 3.492 -2.330 -10.312 1.00 0.00 C ATOM 912 O ASN A 55 3.979 -2.262 -9.182 1.00 0.00 O ATOM 913 CB ASN A 55 4.044 -0.787 -12.218 1.00 0.00 C ATOM 914 CG ASN A 55 5.373 -0.201 -11.762 1.00 0.00 C ATOM 915 OD1 ASN A 55 5.414 0.826 -11.086 1.00 0.00 O ATOM 916 ND2 ASN A 55 6.467 -0.850 -12.138 1.00 0.00 N ATOM 0 H ASN A 55 3.342 -0.109 -9.208 1.00 0.00 H new ATOM 0 HA ASN A 55 2.076 -1.217 -11.474 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.230 -1.717 -12.756 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.574 -0.100 -12.922 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.386 -0.500 -11.867 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.389 -1.699 -12.699 1.00 0.00 H new ATOM 923 N GLN A 56 3.291 -3.486 -10.949 1.00 0.00 N ATOM 924 CA GLN A 56 3.640 -4.771 -10.341 1.00 0.00 C ATOM 925 C GLN A 56 5.148 -4.895 -10.116 1.00 0.00 C ATOM 926 O GLN A 56 5.582 -5.462 -9.115 1.00 0.00 O ATOM 927 CB GLN A 56 3.150 -5.933 -11.211 1.00 0.00 C ATOM 928 CG GLN A 56 2.052 -6.759 -10.558 1.00 0.00 C ATOM 929 CD GLN A 56 2.593 -7.972 -9.825 1.00 0.00 C ATOM 930 OE1 GLN A 56 3.268 -8.818 -10.412 1.00 0.00 O ATOM 931 NE2 GLN A 56 2.295 -8.067 -8.534 1.00 0.00 N ATOM 0 H GLN A 56 2.889 -3.558 -11.884 1.00 0.00 H new ATOM 0 HA GLN A 56 3.144 -4.815 -9.371 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.782 -5.538 -12.158 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.993 -6.583 -11.443 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.499 -6.133 -9.858 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.345 -7.085 -11.321 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.733 -7.344 -8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.629 -8.863 -7.991 1.00 0.00 H new ATOM 940 N ASP A 57 5.938 -4.367 -11.052 1.00 0.00 N ATOM 941 CA ASP A 57 7.398 -4.424 -10.948 1.00 0.00 C ATOM 942 C ASP A 57 7.881 -3.748 -9.662 1.00 0.00 C ATOM 943 O ASP A 57 8.788 -4.247 -8.995 1.00 0.00 O ATOM 944 CB ASP A 57 8.061 -3.763 -12.162 1.00 0.00 C ATOM 945 CG ASP A 57 7.421 -4.167 -13.478 1.00 0.00 C ATOM 946 OD1 ASP A 57 7.587 -5.335 -13.887 1.00 0.00 O ATOM 947 OD2 ASP A 57 6.754 -3.312 -14.099 1.00 0.00 O ATOM 0 H ASP A 57 5.593 -3.896 -11.889 1.00 0.00 H new ATOM 0 HA ASP A 57 7.685 -5.475 -10.922 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.006 -2.680 -12.055 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.118 -4.028 -12.181 1.00 0.00 H new ATOM 952 N ASP A 58 7.266 -2.614 -9.323 1.00 0.00 N ATOM 953 CA ASP A 58 7.631 -1.871 -8.117 1.00 0.00 C ATOM 954 C ASP A 58 7.298 -2.677 -6.862 1.00 0.00 C ATOM 955 O ASP A 58 8.103 -2.748 -5.930 1.00 0.00 O ATOM 956 CB ASP A 58 6.910 -0.516 -8.086 1.00 0.00 C ATOM 957 CG ASP A 58 7.563 0.529 -8.978 1.00 0.00 C ATOM 958 OD1 ASP A 58 8.382 0.156 -9.845 1.00 0.00 O ATOM 959 OD2 ASP A 58 7.255 1.727 -8.805 1.00 0.00 O ATOM 0 H ASP A 58 6.514 -2.191 -9.866 1.00 0.00 H new ATOM 0 HA ASP A 58 8.707 -1.696 -8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.875 -0.655 -8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.887 -0.147 -7.061 1.00 0.00 H new ATOM 964 N LEU A 59 6.116 -3.290 -6.848 1.00 0.00 N ATOM 965 CA LEU A 59 5.688 -4.101 -5.711 1.00 0.00 C ATOM 966 C LEU A 59 6.551 -5.356 -5.584 1.00 0.00 C ATOM 967 O LEU A 59 6.941 -5.742 -4.481 1.00 0.00 O ATOM 968 CB LEU A 59 4.217 -4.494 -5.854 1.00 0.00 C ATOM 969 CG LEU A 59 3.489 -4.764 -4.535 1.00 0.00 C ATOM 970 CD1 LEU A 59 3.153 -3.456 -3.835 1.00 0.00 C ATOM 971 CD2 LEU A 59 2.232 -5.588 -4.785 1.00 0.00 C ATOM 0 H LEU A 59 5.439 -3.241 -7.610 1.00 0.00 H new ATOM 0 HA LEU A 59 5.807 -3.502 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.694 -3.698 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.154 -5.387 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 59 4.148 -5.336 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.636 -3.667 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.072 -2.908 -3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.510 -2.854 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.724 -5.773 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.566 -5.042 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.505 -6.539 -5.242 1.00 0.00 H new ATOM 983 N ASP A 60 6.849 -5.983 -6.723 1.00 0.00 N ATOM 984 CA ASP A 60 7.672 -7.192 -6.746 1.00 0.00 C ATOM 985 C ASP A 60 9.086 -6.899 -6.249 1.00 0.00 C ATOM 986 O ASP A 60 9.654 -7.672 -5.475 1.00 0.00 O ATOM 987 CB ASP A 60 7.727 -7.775 -8.161 1.00 0.00 C ATOM 988 CG ASP A 60 8.070 -9.251 -8.162 1.00 0.00 C ATOM 989 OD1 ASP A 60 9.275 -9.581 -8.143 1.00 0.00 O ATOM 990 OD2 ASP A 60 7.133 -10.078 -8.180 1.00 0.00 O ATOM 0 H ASP A 60 6.532 -5.673 -7.642 1.00 0.00 H new ATOM 0 HA ASP A 60 7.215 -7.922 -6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.764 -7.628 -8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.468 -7.232 -8.747 1.00 0.00 H new ATOM 995 N LYS A 61 9.644 -5.777 -6.699 1.00 0.00 N ATOM 996 CA LYS A 61 10.991 -5.372 -6.303 1.00 0.00 C ATOM 997 C LYS A 61 11.071 -5.091 -4.800 1.00 0.00 C ATOM 998 O LYS A 61 12.112 -5.313 -4.179 1.00 0.00 O ATOM 999 CB LYS A 61 11.423 -4.133 -7.087 1.00 0.00 C ATOM 1000 CG LYS A 61 12.924 -4.033 -7.288 1.00 0.00 C ATOM 1001 CD LYS A 61 13.367 -2.587 -7.442 1.00 0.00 C ATOM 1002 CE LYS A 61 14.853 -2.419 -7.158 1.00 0.00 C ATOM 1003 NZ LYS A 61 15.223 -2.886 -5.790 1.00 0.00 N ATOM 0 H LYS A 61 9.183 -5.131 -7.340 1.00 0.00 H new ATOM 0 HA LYS A 61 11.666 -6.197 -6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.934 -4.141 -8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.075 -3.243 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.437 -4.484 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.213 -4.600 -8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.149 -2.246 -8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.793 -1.957 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.428 -2.976 -7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.125 -1.369 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.850 -2.188 -5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.363 -2.996 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.714 -3.800 -5.856 1.00 0.00 H new ATOM 1017 N ALA A 62 9.971 -4.602 -4.222 1.00 0.00 N ATOM 1018 CA ALA A 62 9.931 -4.294 -2.791 1.00 0.00 C ATOM 1019 C ALA A 62 10.138 -5.549 -1.945 1.00 0.00 C ATOM 1020 O ALA A 62 10.840 -5.512 -0.934 1.00 0.00 O ATOM 1021 CB ALA A 62 8.616 -3.619 -2.423 1.00 0.00 C ATOM 0 H ALA A 62 9.101 -4.412 -4.720 1.00 0.00 H new ATOM 0 HA ALA A 62 10.749 -3.606 -2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.606 -3.399 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.513 -2.691 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.786 -4.283 -2.664 1.00 0.00 H new ATOM 1027 N ILE A 63 9.530 -6.660 -2.367 1.00 0.00 N ATOM 1028 CA ILE A 63 9.659 -7.926 -1.646 1.00 0.00 C ATOM 1029 C ILE A 63 11.104 -8.422 -1.668 1.00 0.00 C ATOM 1030 O ILE A 63 11.614 -8.919 -0.660 1.00 0.00 O ATOM 1031 CB ILE A 63 8.740 -9.023 -2.235 1.00 0.00 C ATOM 1032 CG1 ILE A 63 7.299 -8.512 -2.348 1.00 0.00 C ATOM 1033 CG2 ILE A 63 8.795 -10.279 -1.372 1.00 0.00 C ATOM 1034 CD1 ILE A 63 6.596 -8.945 -3.618 1.00 0.00 C ATOM 0 H ILE A 63 8.946 -6.708 -3.202 1.00 0.00 H new ATOM 0 HA ILE A 63 9.354 -7.732 -0.618 1.00 0.00 H new ATOM 0 HB ILE A 63 9.095 -9.273 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.729 -8.866 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.304 -7.423 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.144 -11.042 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.818 -10.653 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.462 -10.041 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.582 -8.546 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.142 -8.568 -4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.558 -10.034 -3.660 1.00 0.00 H new ATOM 1046 N ASP A 64 11.759 -8.280 -2.822 1.00 0.00 N ATOM 1047 CA ASP A 64 13.150 -8.707 -2.981 1.00 0.00 C ATOM 1048 C ASP A 64 14.048 -8.053 -1.929 1.00 0.00 C ATOM 1049 O ASP A 64 15.002 -8.667 -1.447 1.00 0.00 O ATOM 1050 CB ASP A 64 13.661 -8.361 -4.386 1.00 0.00 C ATOM 1051 CG ASP A 64 12.851 -9.017 -5.491 1.00 0.00 C ATOM 1052 OD1 ASP A 64 12.348 -10.142 -5.280 1.00 0.00 O ATOM 1053 OD2 ASP A 64 12.718 -8.402 -6.570 1.00 0.00 O ATOM 0 H ASP A 64 11.347 -7.872 -3.661 1.00 0.00 H new ATOM 0 HA ASP A 64 13.185 -9.788 -2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.637 -7.279 -4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.702 -8.670 -4.474 1.00 0.00 H new ATOM 1058 N ILE A 65 13.730 -6.808 -1.575 1.00 0.00 N ATOM 1059 CA ILE A 65 14.500 -6.072 -0.575 1.00 0.00 C ATOM 1060 C ILE A 65 14.368 -6.717 0.805 1.00 0.00 C ATOM 1061 O ILE A 65 15.349 -6.822 1.543 1.00 0.00 O ATOM 1062 CB ILE A 65 14.066 -4.593 -0.491 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.073 -3.949 -1.883 1.00 0.00 C ATOM 1064 CG2 ILE A 65 14.982 -3.828 0.455 1.00 0.00 C ATOM 1065 CD1 ILE A 65 13.353 -2.621 -1.941 1.00 0.00 C ATOM 0 H ILE A 65 12.944 -6.289 -1.966 1.00 0.00 H new ATOM 0 HA ILE A 65 15.542 -6.110 -0.892 1.00 0.00 H new ATOM 0 HB ILE A 65 13.049 -4.552 -0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.105 -3.807 -2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.611 -4.634 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.665 -2.786 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.930 -4.271 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.007 -3.878 0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.399 -2.226 -2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.311 -2.759 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 65 13.829 -1.919 -1.256 1.00 0.00 H new ATOM 1077 N LEU A 66 13.154 -7.154 1.145 1.00 0.00 N ATOM 1078 CA LEU A 66 12.906 -7.797 2.436 1.00 0.00 C ATOM 1079 C LEU A 66 13.658 -9.123 2.534 1.00 0.00 C ATOM 1080 O LEU A 66 14.285 -9.411 3.555 1.00 0.00 O ATOM 1081 CB LEU A 66 11.409 -8.037 2.643 1.00 0.00 C ATOM 1082 CG LEU A 66 10.979 -8.230 4.101 1.00 0.00 C ATOM 1083 CD1 LEU A 66 11.046 -6.911 4.860 1.00 0.00 C ATOM 1084 CD2 LEU A 66 9.578 -8.822 4.169 1.00 0.00 C ATOM 0 H LEU A 66 12.331 -7.075 0.547 1.00 0.00 H new ATOM 0 HA LEU A 66 13.268 -7.128 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.860 -7.192 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.116 -8.919 2.074 1.00 0.00 H new ATOM 0 HG LEU A 66 11.669 -8.929 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.737 -7.070 5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.068 -6.532 4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.381 -6.186 4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.288 -8.953 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.875 -8.149 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.567 -9.789 3.666 1.00 0.00 H new ATOM 1096 N ASP A 67 13.596 -9.926 1.466 1.00 0.00 N ATOM 1097 CA ASP A 67 14.277 -11.223 1.436 1.00 0.00 C ATOM 1098 C ASP A 67 15.774 -11.051 1.696 1.00 0.00 C ATOM 1099 O ASP A 67 16.386 -11.857 2.397 1.00 0.00 O ATOM 1100 CB ASP A 67 14.062 -11.919 0.085 1.00 0.00 C ATOM 1101 CG ASP A 67 14.065 -13.436 0.192 1.00 0.00 C ATOM 1102 OD1 ASP A 67 14.917 -13.982 0.926 1.00 0.00 O ATOM 1103 OD2 ASP A 67 13.218 -14.079 -0.462 1.00 0.00 O ATOM 0 H ASP A 67 13.083 -9.701 0.614 1.00 0.00 H new ATOM 0 HA ASP A 67 13.850 -11.844 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.113 -11.592 -0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.845 -11.607 -0.607 1.00 0.00 H new ATOM 1108 N ARG A 68 16.350 -9.991 1.129 1.00 0.00 N ATOM 1109 CA ARG A 68 17.773 -9.700 1.299 1.00 0.00 C ATOM 1110 C ARG A 68 18.101 -9.371 2.760 1.00 0.00 C ATOM 1111 O ARG A 68 19.195 -9.675 3.240 1.00 0.00 O ATOM 1112 CB ARG A 68 18.186 -8.535 0.394 1.00 0.00 C ATOM 1113 CG ARG A 68 19.684 -8.439 0.165 1.00 0.00 C ATOM 1114 CD ARG A 68 20.005 -8.005 -1.257 1.00 0.00 C ATOM 1115 NE ARG A 68 21.237 -7.220 -1.327 1.00 0.00 N ATOM 1116 CZ ARG A 68 22.461 -7.724 -1.142 1.00 0.00 C ATOM 1117 NH1 ARG A 68 22.626 -9.020 -0.882 1.00 0.00 N ATOM 1118 NH2 ARG A 68 23.522 -6.929 -1.218 1.00 0.00 N ATOM 0 H ARG A 68 15.851 -9.318 0.547 1.00 0.00 H new ATOM 0 HA ARG A 68 18.335 -10.590 1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.687 -8.640 -0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.835 -7.602 0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.116 -7.728 0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.146 -9.406 0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 68 20.100 -8.886 -1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.177 -7.416 -1.652 1.00 0.00 H new ATOM 0 HE ARG A 68 21.157 -6.224 -1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 68 21.815 -9.636 -0.823 1.00 0.00 H new ATOM 0 HH12 ARG A 68 23.563 -9.397 -0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 68 23.402 -5.936 -1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 68 24.457 -7.311 -1.077 1.00 0.00 H new ATOM 1132 N SER A 69 17.153 -8.749 3.461 1.00 0.00 N ATOM 1133 CA SER A 69 17.345 -8.379 4.864 1.00 0.00 C ATOM 1134 C SER A 69 17.369 -9.615 5.766 1.00 0.00 C ATOM 1135 O SER A 69 16.679 -10.602 5.503 1.00 0.00 O ATOM 1136 CB SER A 69 16.243 -7.419 5.317 1.00 0.00 C ATOM 1137 OG SER A 69 16.239 -7.260 6.728 1.00 0.00 O ATOM 0 H SER A 69 16.243 -8.490 3.080 1.00 0.00 H new ATOM 0 HA SER A 69 18.310 -7.879 4.948 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.386 -6.449 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.274 -7.795 4.989 1.00 0.00 H new ATOM 0 HG SER A 69 15.525 -6.640 6.985 1.00 0.00 H new ATOM 1143 N SER A 70 18.168 -9.546 6.831 1.00 0.00 N ATOM 1144 CA SER A 70 18.291 -10.650 7.784 1.00 0.00 C ATOM 1145 C SER A 70 17.078 -10.724 8.713 1.00 0.00 C ATOM 1146 O SER A 70 16.660 -11.812 9.111 1.00 0.00 O ATOM 1147 CB SER A 70 19.567 -10.494 8.620 1.00 0.00 C ATOM 1148 OG SER A 70 20.655 -10.057 7.823 1.00 0.00 O ATOM 0 H SER A 70 18.742 -8.734 7.056 1.00 0.00 H new ATOM 0 HA SER A 70 18.342 -11.575 7.210 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.392 -9.779 9.424 1.00 0.00 H new ATOM 0 HB3 SER A 70 19.816 -11.446 9.088 1.00 0.00 H new ATOM 0 HG SER A 70 21.454 -9.965 8.383 1.00 0.00 H new ATOM 1154 N SER A 71 16.523 -9.561 9.065 1.00 0.00 N ATOM 1155 CA SER A 71 15.363 -9.504 9.960 1.00 0.00 C ATOM 1156 C SER A 71 14.072 -9.857 9.219 1.00 0.00 C ATOM 1157 O SER A 71 13.324 -10.727 9.662 1.00 0.00 O ATOM 1158 CB SER A 71 15.241 -8.120 10.606 1.00 0.00 C ATOM 1159 OG SER A 71 15.496 -7.087 9.671 1.00 0.00 O ATOM 0 H SER A 71 16.855 -8.651 8.746 1.00 0.00 H new ATOM 0 HA SER A 71 15.517 -10.244 10.746 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.241 -7.998 11.021 1.00 0.00 H new ATOM 0 HB3 SER A 71 15.942 -8.042 11.437 1.00 0.00 H new ATOM 0 HG SER A 71 16.020 -6.379 10.101 1.00 0.00 H new ATOM 1165 N MET A 72 13.828 -9.177 8.092 1.00 0.00 N ATOM 1166 CA MET A 72 12.636 -9.410 7.264 1.00 0.00 C ATOM 1167 C MET A 72 11.374 -9.627 8.111 1.00 0.00 C ATOM 1168 O MET A 72 11.007 -10.764 8.418 1.00 0.00 O ATOM 1169 CB MET A 72 12.859 -10.608 6.325 1.00 0.00 C ATOM 1170 CG MET A 72 13.439 -11.842 7.007 1.00 0.00 C ATOM 1171 SD MET A 72 13.591 -13.249 5.886 1.00 0.00 S ATOM 1172 CE MET A 72 14.507 -14.406 6.903 1.00 0.00 C ATOM 0 H MET A 72 14.448 -8.453 7.729 1.00 0.00 H new ATOM 0 HA MET A 72 12.478 -8.511 6.668 1.00 0.00 H new ATOM 0 HB2 MET A 72 11.908 -10.875 5.865 1.00 0.00 H new ATOM 0 HB3 MET A 72 13.528 -10.304 5.520 1.00 0.00 H new ATOM 0 HG2 MET A 72 14.420 -11.600 7.415 1.00 0.00 H new ATOM 0 HG3 MET A 72 12.804 -12.120 7.848 1.00 0.00 H new ATOM 0 HE1 MET A 72 14.677 -15.326 6.344 1.00 0.00 H new ATOM 0 HE2 MET A 72 15.465 -13.967 7.180 1.00 0.00 H new ATOM 0 HE3 MET A 72 13.936 -14.630 7.804 1.00 0.00 H new ATOM 1182 N LYS A 73 10.709 -8.530 8.481 1.00 0.00 N ATOM 1183 CA LYS A 73 9.490 -8.602 9.287 1.00 0.00 C ATOM 1184 C LYS A 73 8.372 -7.747 8.678 1.00 0.00 C ATOM 1185 O LYS A 73 8.150 -6.605 9.090 1.00 0.00 O ATOM 1186 CB LYS A 73 9.778 -8.165 10.730 1.00 0.00 C ATOM 1187 CG LYS A 73 10.366 -6.764 10.850 1.00 0.00 C ATOM 1188 CD LYS A 73 11.867 -6.804 11.086 1.00 0.00 C ATOM 1189 CE LYS A 73 12.425 -5.411 11.335 1.00 0.00 C ATOM 1190 NZ LYS A 73 13.879 -5.324 11.027 1.00 0.00 N ATOM 0 H LYS A 73 10.995 -7.582 8.235 1.00 0.00 H new ATOM 0 HA LYS A 73 9.151 -9.638 9.296 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.852 -8.209 11.303 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.468 -8.877 11.183 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.155 -6.202 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.882 -6.235 11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.086 -7.444 11.941 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.361 -7.247 10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.882 -4.690 10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.259 -5.136 12.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.104 -4.369 10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.429 -5.520 11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.121 -6.022 10.295 1.00 0.00 H new ATOM 1204 N SER A 74 7.668 -8.314 7.693 1.00 0.00 N ATOM 1205 CA SER A 74 6.567 -7.617 7.019 1.00 0.00 C ATOM 1206 C SER A 74 7.063 -6.370 6.279 1.00 0.00 C ATOM 1207 O SER A 74 8.258 -6.068 6.282 1.00 0.00 O ATOM 1208 CB SER A 74 5.481 -7.232 8.030 1.00 0.00 C ATOM 1209 OG SER A 74 4.189 -7.309 7.450 1.00 0.00 O ATOM 0 H SER A 74 7.842 -9.256 7.344 1.00 0.00 H new ATOM 0 HA SER A 74 6.144 -8.300 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.534 -7.894 8.894 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.660 -6.220 8.392 1.00 0.00 H new ATOM 0 HG SER A 74 4.233 -7.829 6.621 1.00 0.00 H new ATOM 1215 N LEU A 75 6.135 -5.651 5.639 1.00 0.00 N ATOM 1216 CA LEU A 75 6.475 -4.440 4.895 1.00 0.00 C ATOM 1217 C LEU A 75 5.696 -3.236 5.420 1.00 0.00 C ATOM 1218 O LEU A 75 4.465 -3.247 5.439 1.00 0.00 O ATOM 1219 CB LEU A 75 6.181 -4.625 3.401 1.00 0.00 C ATOM 1220 CG LEU A 75 7.124 -5.571 2.651 1.00 0.00 C ATOM 1221 CD1 LEU A 75 8.571 -5.134 2.823 1.00 0.00 C ATOM 1222 CD2 LEU A 75 6.933 -7.005 3.126 1.00 0.00 C ATOM 0 H LEU A 75 5.143 -5.889 5.623 1.00 0.00 H new ATOM 0 HA LEU A 75 7.541 -4.257 5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.162 -4.997 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.217 -3.648 2.919 1.00 0.00 H new ATOM 0 HG LEU A 75 6.880 -5.528 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.225 -5.819 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.696 -4.126 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.831 -5.144 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.611 -7.662 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.147 -7.066 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.904 -7.315 2.944 1.00 0.00 H new ATOM 1234 N ARG A 76 6.421 -2.199 5.844 1.00 0.00 N ATOM 1235 CA ARG A 76 5.800 -0.982 6.368 1.00 0.00 C ATOM 1236 C ARG A 76 5.395 -0.040 5.232 1.00 0.00 C ATOM 1237 O ARG A 76 6.202 0.767 4.764 1.00 0.00 O ATOM 1238 CB ARG A 76 6.759 -0.269 7.328 1.00 0.00 C ATOM 1239 CG ARG A 76 6.821 -0.902 8.711 1.00 0.00 C ATOM 1240 CD ARG A 76 8.223 -0.839 9.294 1.00 0.00 C ATOM 1241 NE ARG A 76 8.316 -1.546 10.572 1.00 0.00 N ATOM 1242 CZ ARG A 76 9.460 -1.769 11.224 1.00 0.00 C ATOM 1243 NH1 ARG A 76 10.619 -1.345 10.725 1.00 0.00 N ATOM 1244 NH2 ARG A 76 9.445 -2.422 12.381 1.00 0.00 N ATOM 0 H ARG A 76 7.441 -2.178 5.834 1.00 0.00 H new ATOM 0 HA ARG A 76 4.899 -1.268 6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.759 -0.266 6.894 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.452 0.772 7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.126 -0.390 9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.498 -1.941 8.651 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.930 -1.273 8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.511 0.203 9.434 1.00 0.00 H new ATOM 0 HE ARG A 76 7.452 -1.890 10.991 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.639 -0.844 9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.487 -1.521 11.231 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.561 -2.752 12.769 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.317 -2.594 12.881 1.00 0.00 H new ATOM 1258 N ILE A 77 4.138 -0.149 4.794 1.00 0.00 N ATOM 1259 CA ILE A 77 3.621 0.690 3.714 1.00 0.00 C ATOM 1260 C ILE A 77 2.618 1.713 4.251 1.00 0.00 C ATOM 1261 O ILE A 77 1.671 1.356 4.953 1.00 0.00 O ATOM 1262 CB ILE A 77 2.945 -0.159 2.613 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.848 -1.324 2.197 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.602 0.707 1.407 1.00 0.00 C ATOM 1265 CD1 ILE A 77 3.176 -2.677 2.307 1.00 0.00 C ATOM 0 H ILE A 77 3.460 -0.811 5.172 1.00 0.00 H new ATOM 0 HA ILE A 77 4.473 1.213 3.279 1.00 0.00 H new ATOM 0 HB ILE A 77 2.020 -0.571 3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.174 -1.171 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.743 -1.320 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.127 0.093 0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.919 1.501 1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.514 1.148 1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.873 -3.456 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.874 -2.851 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.297 -2.700 1.664 1.00 0.00 H new ATOM 1277 N LEU A 78 2.840 2.983 3.915 1.00 0.00 N ATOM 1278 CA LEU A 78 1.965 4.067 4.364 1.00 0.00 C ATOM 1279 C LEU A 78 1.044 4.536 3.238 1.00 0.00 C ATOM 1280 O LEU A 78 1.507 4.880 2.151 1.00 0.00 O ATOM 1281 CB LEU A 78 2.809 5.241 4.871 1.00 0.00 C ATOM 1282 CG LEU A 78 3.034 5.272 6.385 1.00 0.00 C ATOM 1283 CD1 LEU A 78 3.813 4.045 6.842 1.00 0.00 C ATOM 1284 CD2 LEU A 78 3.761 6.548 6.791 1.00 0.00 C ATOM 0 H LEU A 78 3.620 3.288 3.332 1.00 0.00 H new ATOM 0 HA LEU A 78 1.343 3.688 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.779 5.212 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.326 6.171 4.572 1.00 0.00 H new ATOM 0 HG LEU A 78 2.060 5.258 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.961 4.089 7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.254 3.144 6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.782 4.023 6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.912 6.553 7.870 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.727 6.592 6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.164 7.414 6.504 1.00 0.00 H new ATOM 1296 N LEU A 79 -0.263 4.554 3.505 1.00 0.00 N ATOM 1297 CA LEU A 79 -1.243 4.990 2.508 1.00 0.00 C ATOM 1298 C LEU A 79 -1.885 6.319 2.909 1.00 0.00 C ATOM 1299 O LEU A 79 -2.250 6.518 4.067 1.00 0.00 O ATOM 1300 CB LEU A 79 -2.320 3.917 2.299 1.00 0.00 C ATOM 1301 CG LEU A 79 -3.093 3.490 3.553 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.351 4.331 3.724 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -3.447 2.011 3.487 1.00 0.00 C ATOM 0 H LEU A 79 -0.666 4.273 4.399 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.715 5.139 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.035 4.286 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.847 3.034 1.869 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.451 3.653 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.884 4.011 4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.076 5.381 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.995 4.204 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.995 1.728 4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.067 1.824 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.533 1.421 3.418 1.00 0.00 H new ATOM 1315 N LEU A 80 -2.017 7.226 1.938 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.615 8.541 2.180 1.00 0.00 C ATOM 1317 C LEU A 80 -3.714 8.837 1.163 1.00 0.00 C ATOM 1318 O LEU A 80 -3.713 8.294 0.057 1.00 0.00 O ATOM 1319 CB LEU A 80 -1.542 9.635 2.122 1.00 0.00 C ATOM 1320 CG LEU A 80 -0.256 9.332 2.896 1.00 0.00 C ATOM 1321 CD1 LEU A 80 0.791 8.721 1.976 1.00 0.00 C ATOM 1322 CD2 LEU A 80 0.279 10.596 3.555 1.00 0.00 C ATOM 0 H LEU A 80 -1.717 7.073 0.975 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.059 8.530 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.285 9.813 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.969 10.561 2.508 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.486 8.608 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.698 8.513 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.407 7.793 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.020 9.419 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.193 10.363 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.494 11.342 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.466 10.989 4.247 1.00 0.00 H new ATOM 1334 N SER A 81 -4.651 9.707 1.541 1.00 0.00 N ATOM 1335 CA SER A 81 -5.757 10.078 0.660 1.00 0.00 C ATOM 1336 C SER A 81 -5.360 11.223 -0.272 1.00 0.00 C ATOM 1337 O SER A 81 -4.656 12.147 0.133 1.00 0.00 O ATOM 1338 CB SER A 81 -6.983 10.483 1.485 1.00 0.00 C ATOM 1339 OG SER A 81 -7.053 9.750 2.697 1.00 0.00 O ATOM 0 H SER A 81 -4.666 10.167 2.451 1.00 0.00 H new ATOM 0 HA SER A 81 -6.004 9.208 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.940 11.550 1.705 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.888 10.314 0.902 1.00 0.00 H new ATOM 0 HG SER A 81 -7.844 10.030 3.204 1.00 0.00 H new ATOM 1345 N GLN A 82 -5.824 11.152 -1.521 1.00 0.00 N ATOM 1346 CA GLN A 82 -5.523 12.187 -2.514 1.00 0.00 C ATOM 1347 C GLN A 82 -6.540 13.333 -2.475 1.00 0.00 C ATOM 1348 O GLN A 82 -6.497 14.244 -3.304 1.00 0.00 O ATOM 1349 CB GLN A 82 -5.453 11.577 -3.921 1.00 0.00 C ATOM 1350 CG GLN A 82 -4.824 12.496 -4.957 1.00 0.00 C ATOM 1351 CD GLN A 82 -3.367 12.170 -5.223 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -3.024 11.623 -6.271 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -2.498 12.506 -4.276 1.00 0.00 N ATOM 0 H GLN A 82 -6.408 10.392 -1.869 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.550 12.608 -2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.882 10.650 -3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -6.461 11.316 -4.244 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.384 12.423 -5.889 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.905 13.528 -4.617 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.824 12.958 -3.422 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.505 12.312 -4.403 1.00 0.00 H new ATOM 1362 N ASP A 83 -7.442 13.282 -1.503 1.00 0.00 N ATOM 1363 CA ASP A 83 -8.465 14.313 -1.340 1.00 0.00 C ATOM 1364 C ASP A 83 -8.767 14.539 0.141 1.00 0.00 C ATOM 1365 O ASP A 83 -9.787 14.080 0.656 1.00 0.00 O ATOM 1366 CB ASP A 83 -9.746 13.921 -2.085 1.00 0.00 C ATOM 1367 CG ASP A 83 -9.639 14.145 -3.581 1.00 0.00 C ATOM 1368 OD1 ASP A 83 -9.183 13.223 -4.288 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -10.011 15.244 -4.044 1.00 0.00 O ATOM 0 H ASP A 83 -7.488 12.534 -0.811 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.084 15.242 -1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.967 12.871 -1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.582 14.500 -1.693 1.00 0.00 H new ATOM 1374 N ARG A 84 -7.865 15.248 0.823 1.00 0.00 N ATOM 1375 CA ARG A 84 -8.031 15.531 2.249 1.00 0.00 C ATOM 1376 C ARG A 84 -8.283 17.022 2.504 1.00 0.00 C ATOM 1377 O ARG A 84 -8.020 17.523 3.599 1.00 0.00 O ATOM 1378 CB ARG A 84 -6.793 15.060 3.028 1.00 0.00 C ATOM 1379 CG ARG A 84 -5.492 15.717 2.588 1.00 0.00 C ATOM 1380 CD ARG A 84 -4.432 15.633 3.674 1.00 0.00 C ATOM 1381 NE ARG A 84 -3.515 14.512 3.463 1.00 0.00 N ATOM 1382 CZ ARG A 84 -2.530 14.512 2.562 1.00 0.00 C ATOM 1383 NH1 ARG A 84 -2.335 15.569 1.774 1.00 0.00 N ATOM 1384 NH2 ARG A 84 -1.740 13.450 2.444 1.00 0.00 N ATOM 0 H ARG A 84 -7.015 15.635 0.412 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.906 14.983 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.947 15.259 4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.697 13.980 2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.126 15.233 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.677 16.762 2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.866 16.564 3.700 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.916 15.527 4.645 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.636 13.680 4.040 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.941 16.386 1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.580 15.561 1.088 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.887 12.636 3.041 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.987 13.448 1.756 1.00 0.00 H new ATOM 1398 N ASN A 85 -8.800 17.726 1.491 1.00 0.00 N ATOM 1399 CA ASN A 85 -9.085 19.154 1.618 1.00 0.00 C ATOM 1400 C ASN A 85 -10.310 19.546 0.792 1.00 0.00 C ATOM 1401 O ASN A 85 -10.236 19.642 -0.434 1.00 0.00 O ATOM 1402 CB ASN A 85 -7.875 19.980 1.167 1.00 0.00 C ATOM 1403 CG ASN A 85 -6.720 19.916 2.148 1.00 0.00 C ATOM 1404 OD1 ASN A 85 -5.629 19.461 1.807 1.00 0.00 O ATOM 1405 ND2 ASN A 85 -6.953 20.370 3.375 1.00 0.00 N ATOM 0 H ASN A 85 -9.028 17.330 0.579 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.293 19.361 2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -7.539 19.622 0.194 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.178 21.019 1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.212 20.349 4.076 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.873 20.739 3.616 1.00 0.00 H new ATOM 1412 N LEU A 86 -11.436 19.782 1.469 1.00 0.00 N ATOM 1413 CA LEU A 86 -12.668 20.173 0.784 1.00 0.00 C ATOM 1414 C LEU A 86 -12.754 21.691 0.641 1.00 0.00 C ATOM 1415 O LEU A 86 -12.829 22.416 1.636 1.00 0.00 O ATOM 1416 CB LEU A 86 -13.907 19.635 1.517 1.00 0.00 C ATOM 1417 CG LEU A 86 -14.078 20.102 2.967 1.00 0.00 C ATOM 1418 CD1 LEU A 86 -15.107 21.220 3.055 1.00 0.00 C ATOM 1419 CD2 LEU A 86 -14.481 18.930 3.854 1.00 0.00 C ATOM 0 H LEU A 86 -11.519 19.710 2.483 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.644 19.732 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -14.794 19.926 0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.867 18.546 1.508 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.123 20.493 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.213 21.536 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.779 22.065 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -16.067 20.860 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.599 19.275 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -15.424 18.513 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -13.708 18.162 3.816 1.00 0.00 H new ATOM 1431 N GLU A 87 -12.738 22.162 -0.604 1.00 0.00 N ATOM 1432 CA GLU A 87 -12.812 23.591 -0.886 1.00 0.00 C ATOM 1433 C GLU A 87 -13.939 23.889 -1.875 1.00 0.00 C ATOM 1434 O GLU A 87 -13.808 23.639 -3.076 1.00 0.00 O ATOM 1435 CB GLU A 87 -11.475 24.096 -1.436 1.00 0.00 C ATOM 1436 CG GLU A 87 -11.112 25.494 -0.955 1.00 0.00 C ATOM 1437 CD GLU A 87 -11.928 26.582 -1.632 1.00 0.00 C ATOM 1438 OE1 GLU A 87 -12.138 26.495 -2.862 1.00 0.00 O ATOM 1439 OE2 GLU A 87 -12.356 27.522 -0.933 1.00 0.00 O ATOM 0 H GLU A 87 -12.674 21.573 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.026 24.113 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.686 23.403 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.515 24.094 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.262 25.552 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.053 25.673 -1.140 1.00 0.00 H new ATOM 1446 N HIS A 88 -15.043 24.420 -1.356 1.00 0.00 N ATOM 1447 CA HIS A 88 -16.201 24.756 -2.182 1.00 0.00 C ATOM 1448 C HIS A 88 -16.396 26.271 -2.257 1.00 0.00 C ATOM 1449 O HIS A 88 -15.579 27.037 -1.742 1.00 0.00 O ATOM 1450 CB HIS A 88 -17.462 24.086 -1.622 1.00 0.00 C ATOM 1451 CG HIS A 88 -17.933 22.912 -2.425 1.00 0.00 C ATOM 1452 ND1 HIS A 88 -18.448 23.028 -3.702 1.00 0.00 N ATOM 1453 CD2 HIS A 88 -17.970 21.591 -2.127 1.00 0.00 C ATOM 1454 CE1 HIS A 88 -18.785 21.830 -4.149 1.00 0.00 C ATOM 1455 NE2 HIS A 88 -18.504 20.942 -3.214 1.00 0.00 N ATOM 0 H HIS A 88 -15.161 24.628 -0.364 1.00 0.00 H new ATOM 0 HA HIS A 88 -16.021 24.385 -3.191 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -17.265 23.760 -0.601 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -18.262 24.824 -1.572 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -17.641 21.133 -1.206 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -19.217 21.615 -5.115 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -18.658 19.936 -3.287 1.00 0.00 H new ATOM 1464 N HIS A 89 -17.486 26.699 -2.898 1.00 0.00 N ATOM 1465 CA HIS A 89 -17.789 28.123 -3.038 1.00 0.00 C ATOM 1466 C HIS A 89 -18.688 28.617 -1.897 1.00 0.00 C ATOM 1467 O HIS A 89 -19.574 29.449 -2.107 1.00 0.00 O ATOM 1468 CB HIS A 89 -18.455 28.390 -4.394 1.00 0.00 C ATOM 1469 CG HIS A 89 -18.311 29.806 -4.874 1.00 0.00 C ATOM 1470 ND1 HIS A 89 -19.263 30.438 -5.650 1.00 0.00 N ATOM 1471 CD2 HIS A 89 -17.320 30.712 -4.689 1.00 0.00 C ATOM 1472 CE1 HIS A 89 -18.863 31.670 -5.919 1.00 0.00 C ATOM 1473 NE2 HIS A 89 -17.690 31.860 -5.348 1.00 0.00 N ATOM 0 H HIS A 89 -18.173 26.079 -3.328 1.00 0.00 H new ATOM 0 HA HIS A 89 -16.850 28.675 -2.987 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -18.025 27.719 -5.138 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -19.515 28.147 -4.321 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -16.409 30.560 -4.128 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -19.405 32.396 -6.506 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -17.145 32.721 -5.389 1.00 0.00 H new ATOM 1482 N HIS A 90 -18.447 28.108 -0.688 1.00 0.00 N ATOM 1483 CA HIS A 90 -19.221 28.507 0.482 1.00 0.00 C ATOM 1484 C HIS A 90 -18.441 29.523 1.315 1.00 0.00 C ATOM 1485 O HIS A 90 -17.911 29.197 2.380 1.00 0.00 O ATOM 1486 CB HIS A 90 -19.573 27.279 1.332 1.00 0.00 C ATOM 1487 CG HIS A 90 -20.706 27.500 2.294 1.00 0.00 C ATOM 1488 ND1 HIS A 90 -21.398 28.693 2.396 1.00 0.00 N ATOM 1489 CD2 HIS A 90 -21.266 26.666 3.203 1.00 0.00 C ATOM 1490 CE1 HIS A 90 -22.330 28.580 3.326 1.00 0.00 C ATOM 1491 NE2 HIS A 90 -22.272 27.361 3.829 1.00 0.00 N ATOM 0 H HIS A 90 -17.721 27.418 -0.496 1.00 0.00 H new ATOM 0 HA HIS A 90 -20.146 28.973 0.144 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -19.830 26.453 0.668 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.689 26.974 1.893 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -20.975 25.644 3.399 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -23.022 29.354 3.624 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -22.877 26.994 4.564 1.00 0.00 H new ATOM 1500 N HIS A 91 -18.367 30.755 0.813 1.00 0.00 N ATOM 1501 CA HIS A 91 -17.646 31.827 1.496 1.00 0.00 C ATOM 1502 C HIS A 91 -18.307 32.176 2.827 1.00 0.00 C ATOM 1503 O HIS A 91 -19.502 31.941 3.020 1.00 0.00 O ATOM 1504 CB HIS A 91 -17.585 33.073 0.609 1.00 0.00 C ATOM 1505 CG HIS A 91 -16.723 32.912 -0.607 1.00 0.00 C ATOM 1506 ND1 HIS A 91 -15.396 32.546 -0.546 1.00 0.00 N ATOM 1507 CD2 HIS A 91 -17.007 33.073 -1.921 1.00 0.00 C ATOM 1508 CE1 HIS A 91 -14.900 32.493 -1.769 1.00 0.00 C ATOM 1509 NE2 HIS A 91 -15.857 32.806 -2.622 1.00 0.00 N ATOM 0 H HIS A 91 -18.799 31.036 -0.067 1.00 0.00 H new ATOM 0 HA HIS A 91 -16.634 31.474 1.696 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -18.596 33.332 0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -17.211 33.909 1.199 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -17.961 33.358 -2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -13.883 32.237 -2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.758 32.843 -3.637 1.00 0.00 H new ATOM 1518 N HIS A 92 -17.518 32.746 3.740 1.00 0.00 N ATOM 1519 CA HIS A 92 -18.018 33.140 5.055 1.00 0.00 C ATOM 1520 C HIS A 92 -18.322 34.638 5.094 1.00 0.00 C ATOM 1521 O HIS A 92 -17.411 35.467 5.080 1.00 0.00 O ATOM 1522 CB HIS A 92 -17.011 32.774 6.160 1.00 0.00 C ATOM 1523 CG HIS A 92 -15.584 33.127 5.843 1.00 0.00 C ATOM 1524 ND1 HIS A 92 -14.685 32.226 5.310 1.00 0.00 N ATOM 1525 CD2 HIS A 92 -14.902 34.290 5.990 1.00 0.00 C ATOM 1526 CE1 HIS A 92 -13.514 32.820 5.143 1.00 0.00 C ATOM 1527 NE2 HIS A 92 -13.621 34.072 5.546 1.00 0.00 N ATOM 0 H HIS A 92 -16.529 32.945 3.591 1.00 0.00 H new ATOM 0 HA HIS A 92 -18.943 32.592 5.237 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -17.301 33.280 7.081 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -17.073 31.703 6.351 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -15.294 35.216 6.383 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.623 32.358 4.745 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.873 34.766 5.530 1.00 0.00 H new ATOM 1536 N HIS A 93 -19.613 34.974 5.136 1.00 0.00 N ATOM 1537 CA HIS A 93 -20.038 36.373 5.171 1.00 0.00 C ATOM 1538 C HIS A 93 -19.844 36.979 6.561 1.00 0.00 C ATOM 1539 O HIS A 93 -19.256 38.078 6.646 1.00 0.00 O ATOM 1540 CB HIS A 93 -21.504 36.519 4.727 1.00 0.00 C ATOM 1541 CG HIS A 93 -22.485 35.711 5.530 1.00 0.00 C ATOM 1542 ND1 HIS A 93 -23.212 36.233 6.581 1.00 0.00 N ATOM 1543 CD2 HIS A 93 -22.866 34.414 5.423 1.00 0.00 C ATOM 1544 CE1 HIS A 93 -23.994 35.293 7.085 1.00 0.00 C ATOM 1545 NE2 HIS A 93 -23.801 34.182 6.402 1.00 0.00 N ATOM 1546 OXT HIS A 93 -20.267 36.346 7.552 1.00 0.00 O ATOM 0 H HIS A 93 -20.378 34.300 5.147 1.00 0.00 H new ATOM 0 HA HIS A 93 -19.409 36.920 4.469 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -21.785 37.571 4.786 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -21.584 36.227 3.680 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -22.502 33.697 4.702 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -24.675 35.415 7.915 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -24.271 33.293 6.573 1.00 0.00 H new TER 1555 HIS A 93