USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 922 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 1 MET N :NH3+ 172:sc= -1.26 (180deg=-2.05!) USER MOD Set 1.2: B 35 ASN : amide:sc= 0.193 K(o=-1.1,f=-2.1) USER MOD Set 2.1: A 35 ASN : amide:sc= 0.19 K(o=-1.1,f=-2.1) USER MOD Set 2.2: B 1 MET N :NH3+ 172:sc= -1.24 (180deg=-1.94!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0945 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -135:sc= -1.34 (180deg=-4.03!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 0.488 (180deg=0.481) USER MOD Single : A 28 ASN : amide:sc= 0.177 K(o=0.18,f=-1.5!) USER MOD Single : A 29 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.8!) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.0365 (180deg=-0.277) USER MOD Single : A 41 SER OG : rot 148:sc= 0.568 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 43:sc= 0.971 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -2.51! C(o=-2.5!,f=-6.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 MET CE :methyl -136:sc= -1.31 (180deg=-4.07!) USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 LYS NZ :NH3+ 175:sc= 0.483 (180deg=0.469) USER MOD Single : B 28 ASN : amide:sc= 0.176 K(o=0.18,f=-1.6!) USER MOD Single : B 29 GLN : amide:sc= -1.06 K(o=-1.1,f=-4!) USER MOD Single : B 38 LYS NZ :NH3+ -159:sc= -0.0334 (180deg=-0.255) USER MOD Single : B 41 SER OG : rot 146:sc= 0.592 USER MOD Single : B 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 TYR OH : rot 43:sc= 0.937 USER MOD Single : B 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 GLN : amide:sc= -2.55! C(o=-2.5!,f=-6.5!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.876 -8.927 -6.715 1.00 0.00 N ATOM 2 CA MET A 1 -1.867 -10.005 -5.692 1.00 0.00 C ATOM 3 C MET A 1 -0.452 -10.280 -5.192 1.00 0.00 C ATOM 4 O MET A 1 0.106 -11.353 -5.427 1.00 0.00 O ATOM 5 CB MET A 1 -2.467 -11.269 -6.312 1.00 0.00 C ATOM 6 CG MET A 1 -3.308 -12.083 -5.341 1.00 0.00 C ATOM 7 SD MET A 1 -2.941 -13.847 -5.409 1.00 0.00 S ATOM 8 CE MET A 1 -3.608 -14.270 -7.016 1.00 0.00 C ATOM 0 H1 MET A 1 -2.825 -8.854 -7.134 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.624 -8.022 -6.268 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.185 -9.149 -7.460 1.00 0.00 H new ATOM 0 HA MET A 1 -2.460 -9.690 -4.834 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.083 -10.987 -7.166 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.660 -11.895 -6.694 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.138 -11.720 -4.327 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.364 -11.927 -5.563 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.457 -15.333 -7.204 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.674 -14.046 -7.038 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.099 -13.689 -7.785 1.00 0.00 H new ATOM 20 N LEU A 2 0.124 -9.304 -4.498 1.00 0.00 N ATOM 21 CA LEU A 2 1.473 -9.439 -3.960 1.00 0.00 C ATOM 22 C LEU A 2 1.475 -9.247 -2.446 1.00 0.00 C ATOM 23 O LEU A 2 1.234 -8.144 -1.954 1.00 0.00 O ATOM 24 CB LEU A 2 2.414 -8.425 -4.616 1.00 0.00 C ATOM 25 CG LEU A 2 2.160 -8.162 -6.105 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.971 -9.471 -6.861 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.950 -7.254 -6.288 1.00 0.00 C ATOM 0 H LEU A 2 -0.323 -8.410 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 2 1.826 -10.446 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.335 -7.480 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 2 3.439 -8.775 -4.496 1.00 0.00 H new ATOM 0 HG LEU A 2 3.034 -7.657 -6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.792 -9.260 -7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.868 -10.082 -6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.117 -10.009 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.785 -7.078 -7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.069 -7.730 -5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.130 -6.303 -5.786 1.00 0.00 H new ATOM 39 N ILE A 3 1.747 -10.321 -1.711 1.00 0.00 N ATOM 40 CA ILE A 3 1.777 -10.255 -0.255 1.00 0.00 C ATOM 41 C ILE A 3 3.206 -10.304 0.272 1.00 0.00 C ATOM 42 O ILE A 3 3.913 -11.298 0.102 1.00 0.00 O ATOM 43 CB ILE A 3 0.946 -11.388 0.389 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.960 -11.267 1.915 1.00 0.00 C ATOM 45 CG2 ILE A 3 1.467 -12.751 -0.041 1.00 0.00 C ATOM 46 CD1 ILE A 3 -0.357 -11.638 2.565 1.00 0.00 C ATOM 0 H ILE A 3 1.949 -11.243 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 3 1.330 -9.301 0.023 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.084 -11.291 0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.746 -11.908 2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.214 -10.243 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.867 -13.533 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.401 -12.840 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.506 -12.858 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.273 -11.529 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.144 -10.981 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.604 -12.672 2.323 1.00 0.00 H new ATOM 58 N LEU A 4 3.617 -9.223 0.925 1.00 0.00 N ATOM 59 CA LEU A 4 4.952 -9.128 1.498 1.00 0.00 C ATOM 60 C LEU A 4 4.868 -8.821 2.989 1.00 0.00 C ATOM 61 O LEU A 4 4.247 -7.837 3.391 1.00 0.00 O ATOM 62 CB LEU A 4 5.766 -8.047 0.785 1.00 0.00 C ATOM 63 CG LEU A 4 7.265 -8.336 0.672 1.00 0.00 C ATOM 64 CD1 LEU A 4 7.592 -8.930 -0.690 1.00 0.00 C ATOM 65 CD2 LEU A 4 8.073 -7.068 0.912 1.00 0.00 C ATOM 0 H LEU A 4 3.039 -8.395 1.071 1.00 0.00 H new ATOM 0 HA LEU A 4 5.452 -10.087 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.361 -7.910 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.632 -7.104 1.314 1.00 0.00 H new ATOM 0 HG LEU A 4 7.534 -9.064 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.662 -9.129 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.041 -9.861 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.308 -8.226 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.136 -7.293 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.801 -6.317 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.861 -6.685 1.910 1.00 0.00 H new ATOM 77 N THR A 5 5.470 -9.673 3.808 1.00 0.00 N ATOM 78 CA THR A 5 5.434 -9.481 5.251 1.00 0.00 C ATOM 79 C THR A 5 6.140 -8.197 5.665 1.00 0.00 C ATOM 80 O THR A 5 7.288 -8.222 6.110 1.00 0.00 O ATOM 81 CB THR A 5 6.066 -10.668 5.972 1.00 0.00 C ATOM 82 OG1 THR A 5 6.173 -11.787 5.109 1.00 0.00 O ATOM 83 CG2 THR A 5 5.281 -11.095 7.190 1.00 0.00 C ATOM 0 H THR A 5 5.985 -10.498 3.501 1.00 0.00 H new ATOM 0 HA THR A 5 4.385 -9.404 5.537 1.00 0.00 H new ATOM 0 HB THR A 5 7.053 -10.330 6.288 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.582 -12.535 5.592 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.776 -11.943 7.663 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.226 -10.266 7.896 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.274 -11.384 6.891 1.00 0.00 H new ATOM 91 N ARG A 6 5.448 -7.075 5.525 1.00 0.00 N ATOM 92 CA ARG A 6 6.017 -5.789 5.897 1.00 0.00 C ATOM 93 C ARG A 6 5.954 -5.594 7.406 1.00 0.00 C ATOM 94 O ARG A 6 4.995 -6.005 8.062 1.00 0.00 O ATOM 95 CB ARG A 6 5.289 -4.639 5.196 1.00 0.00 C ATOM 96 CG ARG A 6 4.766 -4.987 3.812 1.00 0.00 C ATOM 97 CD ARG A 6 4.218 -3.761 3.102 1.00 0.00 C ATOM 98 NE ARG A 6 3.988 -4.006 1.681 1.00 0.00 N ATOM 99 CZ ARG A 6 3.880 -3.041 0.771 1.00 0.00 C ATOM 100 NH1 ARG A 6 3.981 -1.767 1.130 1.00 0.00 N ATOM 101 NH2 ARG A 6 3.670 -3.351 -0.501 1.00 0.00 N ATOM 0 H ARG A 6 4.497 -7.030 5.159 1.00 0.00 H new ATOM 0 HA ARG A 6 7.059 -5.783 5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.453 -4.319 5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.968 -3.790 5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.568 -5.425 3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.983 -5.741 3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.283 -3.458 3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.917 -2.933 3.218 1.00 0.00 H new ATOM 0 HE ARG A 6 3.905 -4.973 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.142 -1.524 2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.897 -1.031 0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.591 -4.329 -0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.587 -2.612 -1.199 1.00 0.00 H new ATOM 115 N ARG A 7 6.987 -4.968 7.948 1.00 0.00 N ATOM 116 CA ARG A 7 7.058 -4.712 9.382 1.00 0.00 C ATOM 117 C ARG A 7 8.260 -3.837 9.746 1.00 0.00 C ATOM 118 O ARG A 7 8.342 -3.323 10.861 1.00 0.00 O ATOM 119 CB ARG A 7 7.119 -6.031 10.152 1.00 0.00 C ATOM 120 CG ARG A 7 6.896 -5.873 11.648 1.00 0.00 C ATOM 121 CD ARG A 7 8.109 -6.327 12.447 1.00 0.00 C ATOM 122 NE ARG A 7 7.906 -6.172 13.885 1.00 0.00 N ATOM 123 CZ ARG A 7 8.896 -6.153 14.776 1.00 0.00 C ATOM 124 NH1 ARG A 7 10.157 -6.278 14.380 1.00 0.00 N ATOM 125 NH2 ARG A 7 8.624 -6.008 16.066 1.00 0.00 N ATOM 0 H ARG A 7 7.789 -4.627 7.418 1.00 0.00 H new ATOM 0 HA ARG A 7 6.155 -4.169 9.663 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.368 -6.711 9.751 1.00 0.00 H new ATOM 0 HB3 ARG A 7 8.091 -6.495 9.985 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.680 -4.829 11.876 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.023 -6.453 11.949 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.321 -7.372 12.221 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.982 -5.751 12.140 1.00 0.00 H new ATOM 0 HE ARG A 7 6.950 -6.072 14.227 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.372 -6.389 13.389 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.911 -6.263 15.067 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.657 -5.911 16.376 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.382 -5.993 16.749 1.00 0.00 H new ATOM 139 N VAL A 8 9.189 -3.668 8.808 1.00 0.00 N ATOM 140 CA VAL A 8 10.374 -2.855 9.047 1.00 0.00 C ATOM 141 C VAL A 8 10.408 -1.644 8.119 1.00 0.00 C ATOM 142 O VAL A 8 10.439 -0.502 8.577 1.00 0.00 O ATOM 143 CB VAL A 8 11.661 -3.678 8.861 1.00 0.00 C ATOM 144 CG1 VAL A 8 12.870 -2.904 9.364 1.00 0.00 C ATOM 145 CG2 VAL A 8 11.541 -5.018 9.574 1.00 0.00 C ATOM 0 H VAL A 8 9.142 -4.083 7.878 1.00 0.00 H new ATOM 0 HA VAL A 8 10.322 -2.509 10.079 1.00 0.00 H new ATOM 0 HB VAL A 8 11.800 -3.867 7.797 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.770 -3.503 9.224 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.964 -1.972 8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.744 -2.681 10.424 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.459 -5.589 9.433 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.378 -4.850 10.639 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.700 -5.576 9.161 1.00 0.00 H new ATOM 155 N GLY A 9 10.400 -1.898 6.812 1.00 0.00 N ATOM 156 CA GLY A 9 10.429 -0.811 5.849 1.00 0.00 C ATOM 157 C GLY A 9 10.258 -1.288 4.418 1.00 0.00 C ATOM 158 O GLY A 9 11.180 -1.853 3.830 1.00 0.00 O ATOM 0 H GLY A 9 10.374 -2.833 6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.638 -0.100 6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.375 -0.277 5.939 1.00 0.00 H new ATOM 162 N GLU A 10 9.074 -1.055 3.855 1.00 0.00 N ATOM 163 CA GLU A 10 8.784 -1.459 2.482 1.00 0.00 C ATOM 164 C GLU A 10 8.592 -0.236 1.588 1.00 0.00 C ATOM 165 O GLU A 10 9.458 0.099 0.781 1.00 0.00 O ATOM 166 CB GLU A 10 7.533 -2.341 2.441 1.00 0.00 C ATOM 167 CG GLU A 10 7.833 -3.809 2.186 1.00 0.00 C ATOM 168 CD GLU A 10 8.552 -4.468 3.347 1.00 0.00 C ATOM 169 OE1 GLU A 10 8.202 -4.169 4.508 1.00 0.00 O ATOM 170 OE2 GLU A 10 9.465 -5.282 3.096 1.00 0.00 O ATOM 0 H GLU A 10 8.300 -0.589 4.329 1.00 0.00 H new ATOM 0 HA GLU A 10 9.633 -2.031 2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.001 -2.246 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.865 -1.974 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.900 -4.339 1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.443 -3.901 1.287 1.00 0.00 H new ATOM 177 N THR A 11 7.450 0.429 1.745 1.00 0.00 N ATOM 178 CA THR A 11 7.134 1.621 0.962 1.00 0.00 C ATOM 179 C THR A 11 6.877 1.276 -0.503 1.00 0.00 C ATOM 180 O THR A 11 7.811 1.052 -1.272 1.00 0.00 O ATOM 181 CB THR A 11 8.269 2.643 1.063 1.00 0.00 C ATOM 182 OG1 THR A 11 8.687 2.798 2.408 1.00 0.00 O ATOM 183 CG2 THR A 11 7.890 4.012 0.539 1.00 0.00 C ATOM 0 H THR A 11 6.725 0.161 2.411 1.00 0.00 H new ATOM 0 HA THR A 11 6.222 2.053 1.375 1.00 0.00 H new ATOM 0 HB THR A 11 9.072 2.244 0.444 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.414 3.454 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.739 4.688 0.640 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.610 3.935 -0.512 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.047 4.400 1.111 1.00 0.00 H new ATOM 191 N LEU A 12 5.602 1.244 -0.883 1.00 0.00 N ATOM 192 CA LEU A 12 5.218 0.935 -2.258 1.00 0.00 C ATOM 193 C LEU A 12 4.667 2.176 -2.954 1.00 0.00 C ATOM 194 O LEU A 12 4.153 3.085 -2.302 1.00 0.00 O ATOM 195 CB LEU A 12 4.189 -0.207 -2.289 1.00 0.00 C ATOM 196 CG LEU A 12 2.712 0.210 -2.239 1.00 0.00 C ATOM 197 CD1 LEU A 12 1.852 -0.780 -3.009 1.00 0.00 C ATOM 198 CD2 LEU A 12 2.238 0.319 -0.799 1.00 0.00 C ATOM 0 H LEU A 12 4.817 1.428 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 12 6.107 0.608 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.350 -0.789 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.387 -0.869 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 12 2.615 1.189 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.808 -0.468 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.176 -0.811 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.955 -1.771 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.189 0.615 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.350 -0.646 -0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.834 1.066 -0.275 1.00 0.00 H new ATOM 210 N MET A 13 4.766 2.209 -4.279 1.00 0.00 N ATOM 211 CA MET A 13 4.264 3.340 -5.046 1.00 0.00 C ATOM 212 C MET A 13 3.323 2.870 -6.147 1.00 0.00 C ATOM 213 O MET A 13 3.761 2.417 -7.204 1.00 0.00 O ATOM 214 CB MET A 13 5.426 4.127 -5.654 1.00 0.00 C ATOM 215 CG MET A 13 5.011 5.469 -6.235 1.00 0.00 C ATOM 216 SD MET A 13 6.376 6.327 -7.044 1.00 0.00 S ATOM 217 CE MET A 13 5.885 8.034 -6.816 1.00 0.00 C ATOM 0 H MET A 13 5.187 1.469 -4.840 1.00 0.00 H new ATOM 0 HA MET A 13 3.710 3.991 -4.370 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.184 4.290 -4.888 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.889 3.528 -6.438 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.206 5.316 -6.954 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.612 6.098 -5.439 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.022 8.580 -7.749 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.836 8.075 -6.523 1.00 0.00 H new ATOM 0 HE3 MET A 13 6.498 8.488 -6.037 1.00 0.00 H new ATOM 227 N ILE A 14 2.026 2.985 -5.889 1.00 0.00 N ATOM 228 CA ILE A 14 1.016 2.576 -6.854 1.00 0.00 C ATOM 229 C ILE A 14 0.197 3.776 -7.321 1.00 0.00 C ATOM 230 O ILE A 14 -0.171 4.637 -6.522 1.00 0.00 O ATOM 231 CB ILE A 14 0.077 1.502 -6.265 1.00 0.00 C ATOM 232 CG1 ILE A 14 -0.951 1.044 -7.312 1.00 0.00 C ATOM 233 CG2 ILE A 14 -0.609 2.018 -5.007 1.00 0.00 C ATOM 234 CD1 ILE A 14 -2.132 1.980 -7.484 1.00 0.00 C ATOM 0 H ILE A 14 1.650 3.359 -5.018 1.00 0.00 H new ATOM 0 HA ILE A 14 1.538 2.146 -7.709 1.00 0.00 H new ATOM 0 HB ILE A 14 0.678 0.636 -5.987 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.448 0.934 -8.273 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.322 0.058 -7.031 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.266 1.245 -4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.144 2.275 -4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.196 2.904 -5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.806 1.580 -8.241 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.664 2.073 -6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.776 2.961 -7.798 1.00 0.00 H new ATOM 246 N GLY A 15 -0.081 3.830 -8.619 1.00 0.00 N ATOM 247 CA GLY A 15 -0.849 4.932 -9.171 1.00 0.00 C ATOM 248 C GLY A 15 -0.083 5.680 -10.244 1.00 0.00 C ATOM 249 O GLY A 15 0.079 5.185 -11.360 1.00 0.00 O ATOM 0 H GLY A 15 0.212 3.130 -9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.780 4.550 -9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.119 5.622 -8.371 1.00 0.00 H new ATOM 253 N ASP A 16 0.393 6.875 -9.907 1.00 0.00 N ATOM 254 CA ASP A 16 1.151 7.689 -10.856 1.00 0.00 C ATOM 255 C ASP A 16 2.006 8.746 -10.150 1.00 0.00 C ATOM 256 O ASP A 16 2.603 9.599 -10.806 1.00 0.00 O ATOM 257 CB ASP A 16 0.199 8.369 -11.841 1.00 0.00 C ATOM 258 CG ASP A 16 0.754 8.404 -13.251 1.00 0.00 C ATOM 259 OD1 ASP A 16 1.239 7.355 -13.724 1.00 0.00 O ATOM 260 OD2 ASP A 16 0.703 9.481 -13.883 1.00 0.00 O ATOM 0 H ASP A 16 0.269 7.301 -8.989 1.00 0.00 H new ATOM 0 HA ASP A 16 1.824 7.022 -11.394 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.755 7.842 -11.842 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.001 9.387 -11.506 1.00 0.00 H new ATOM 265 N GLU A 17 2.068 8.684 -8.817 1.00 0.00 N ATOM 266 CA GLU A 17 2.852 9.633 -8.022 1.00 0.00 C ATOM 267 C GLU A 17 2.404 9.593 -6.563 1.00 0.00 C ATOM 268 O GLU A 17 1.957 10.598 -6.008 1.00 0.00 O ATOM 269 CB GLU A 17 2.714 11.061 -8.574 1.00 0.00 C ATOM 270 CG GLU A 17 3.979 11.582 -9.236 1.00 0.00 C ATOM 271 CD GLU A 17 3.959 13.086 -9.428 1.00 0.00 C ATOM 272 OE1 GLU A 17 3.188 13.565 -10.286 1.00 0.00 O ATOM 273 OE2 GLU A 17 4.715 13.785 -8.720 1.00 0.00 O ATOM 0 H GLU A 17 1.580 7.981 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 17 3.901 9.342 -8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.899 11.085 -9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.437 11.731 -7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.842 11.308 -8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.104 11.097 -10.204 1.00 0.00 H new ATOM 280 N VAL A 18 2.509 8.419 -5.948 1.00 0.00 N ATOM 281 CA VAL A 18 2.103 8.243 -4.569 1.00 0.00 C ATOM 282 C VAL A 18 3.290 7.872 -3.673 1.00 0.00 C ATOM 283 O VAL A 18 4.445 8.121 -4.021 1.00 0.00 O ATOM 284 CB VAL A 18 1.013 7.160 -4.474 1.00 0.00 C ATOM 285 CG1 VAL A 18 -0.135 7.475 -5.421 1.00 0.00 C ATOM 286 CG2 VAL A 18 1.587 5.780 -4.765 1.00 0.00 C ATOM 0 H VAL A 18 2.874 7.576 -6.390 1.00 0.00 H new ATOM 0 HA VAL A 18 1.703 9.194 -4.216 1.00 0.00 H new ATOM 0 HB VAL A 18 0.628 7.155 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.896 6.699 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.570 8.439 -5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.238 7.513 -6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.796 5.034 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.007 5.765 -5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.370 5.552 -4.042 1.00 0.00 H new ATOM 296 N THR A 19 2.993 7.275 -2.521 1.00 0.00 N ATOM 297 CA THR A 19 4.014 6.861 -1.564 1.00 0.00 C ATOM 298 C THR A 19 3.345 6.359 -0.290 1.00 0.00 C ATOM 299 O THR A 19 2.862 7.149 0.519 1.00 0.00 O ATOM 300 CB THR A 19 4.964 8.021 -1.243 1.00 0.00 C ATOM 301 OG1 THR A 19 5.665 7.776 -0.037 1.00 0.00 O ATOM 302 CG2 THR A 19 4.263 9.355 -1.103 1.00 0.00 C ATOM 0 H THR A 19 2.039 7.065 -2.226 1.00 0.00 H new ATOM 0 HA THR A 19 4.602 6.056 -2.005 1.00 0.00 H new ATOM 0 HB THR A 19 5.644 8.077 -2.093 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.267 8.526 0.150 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.996 10.129 -0.876 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.755 9.599 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.533 9.299 -0.296 1.00 0.00 H new ATOM 310 N VAL A 20 3.294 5.042 -0.127 1.00 0.00 N ATOM 311 CA VAL A 20 2.652 4.447 1.039 1.00 0.00 C ATOM 312 C VAL A 20 3.656 3.796 1.985 1.00 0.00 C ATOM 313 O VAL A 20 4.150 2.698 1.724 1.00 0.00 O ATOM 314 CB VAL A 20 1.612 3.391 0.617 1.00 0.00 C ATOM 315 CG1 VAL A 20 0.834 2.886 1.823 1.00 0.00 C ATOM 316 CG2 VAL A 20 0.670 3.958 -0.433 1.00 0.00 C ATOM 0 H VAL A 20 3.688 4.369 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 20 2.160 5.265 1.566 1.00 0.00 H new ATOM 0 HB VAL A 20 2.143 2.546 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.106 2.142 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.523 2.434 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.315 3.720 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.057 3.198 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.148 4.824 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.242 4.260 -1.310 1.00 0.00 H new ATOM 326 N THR A 21 3.934 4.474 3.094 1.00 0.00 N ATOM 327 CA THR A 21 4.856 3.959 4.100 1.00 0.00 C ATOM 328 C THR A 21 4.095 3.113 5.118 1.00 0.00 C ATOM 329 O THR A 21 3.355 3.640 5.949 1.00 0.00 O ATOM 330 CB THR A 21 5.574 5.110 4.805 1.00 0.00 C ATOM 331 OG1 THR A 21 6.191 5.969 3.862 1.00 0.00 O ATOM 332 CG2 THR A 21 6.643 4.646 5.771 1.00 0.00 C ATOM 0 H THR A 21 3.532 5.384 3.319 1.00 0.00 H new ATOM 0 HA THR A 21 5.602 3.336 3.606 1.00 0.00 H new ATOM 0 HB THR A 21 4.800 5.632 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.644 6.700 4.332 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.113 5.512 6.237 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.191 4.020 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.396 4.071 5.232 1.00 0.00 H new ATOM 340 N VAL A 22 4.267 1.799 5.035 1.00 0.00 N ATOM 341 CA VAL A 22 3.581 0.876 5.933 1.00 0.00 C ATOM 342 C VAL A 22 4.221 0.849 7.320 1.00 0.00 C ATOM 343 O VAL A 22 5.049 1.697 7.652 1.00 0.00 O ATOM 344 CB VAL A 22 3.562 -0.550 5.345 1.00 0.00 C ATOM 345 CG1 VAL A 22 2.854 -0.559 3.999 1.00 0.00 C ATOM 346 CG2 VAL A 22 4.978 -1.097 5.213 1.00 0.00 C ATOM 0 H VAL A 22 4.877 1.347 4.354 1.00 0.00 H new ATOM 0 HA VAL A 22 2.558 1.237 6.037 1.00 0.00 H new ATOM 0 HB VAL A 22 3.011 -1.197 6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.849 -1.572 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.828 -0.214 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.377 0.103 3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.942 -2.104 4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.557 -0.452 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.449 -1.128 6.195 1.00 0.00 H new ATOM 356 N LEU A 23 3.822 -0.132 8.126 1.00 0.00 N ATOM 357 CA LEU A 23 4.344 -0.275 9.479 1.00 0.00 C ATOM 358 C LEU A 23 3.848 -1.566 10.126 1.00 0.00 C ATOM 359 O LEU A 23 2.696 -1.959 9.946 1.00 0.00 O ATOM 360 CB LEU A 23 3.929 0.928 10.331 1.00 0.00 C ATOM 361 CG LEU A 23 5.023 1.497 11.237 1.00 0.00 C ATOM 362 CD1 LEU A 23 5.416 0.484 12.305 1.00 0.00 C ATOM 363 CD2 LEU A 23 6.236 1.905 10.414 1.00 0.00 C ATOM 0 H LEU A 23 3.137 -0.840 7.863 1.00 0.00 H new ATOM 0 HA LEU A 23 5.432 -0.318 9.420 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.582 1.720 9.667 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.081 0.638 10.951 1.00 0.00 H new ATOM 0 HG LEU A 23 4.631 2.383 11.735 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.195 0.907 12.939 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.545 0.241 12.914 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.789 -0.422 11.827 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.005 2.308 11.074 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.629 1.035 9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.945 2.666 9.689 1.00 0.00 H new ATOM 375 N GLY A 24 4.728 -2.217 10.881 1.00 0.00 N ATOM 376 CA GLY A 24 4.365 -3.455 11.550 1.00 0.00 C ATOM 377 C GLY A 24 4.623 -3.404 13.045 1.00 0.00 C ATOM 378 O GLY A 24 3.994 -4.131 13.815 1.00 0.00 O ATOM 0 H GLY A 24 5.687 -1.909 11.042 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.310 -3.664 11.373 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.930 -4.279 11.115 1.00 0.00 H new ATOM 382 N VAL A 25 5.550 -2.544 13.457 1.00 0.00 N ATOM 383 CA VAL A 25 5.891 -2.398 14.864 1.00 0.00 C ATOM 384 C VAL A 25 4.953 -1.407 15.544 1.00 0.00 C ATOM 385 O VAL A 25 4.738 -0.304 15.042 1.00 0.00 O ATOM 386 CB VAL A 25 7.352 -1.924 15.063 1.00 0.00 C ATOM 387 CG1 VAL A 25 7.980 -2.630 16.255 1.00 0.00 C ATOM 388 CG2 VAL A 25 8.185 -2.149 13.806 1.00 0.00 C ATOM 0 H VAL A 25 6.079 -1.936 12.832 1.00 0.00 H new ATOM 0 HA VAL A 25 5.783 -3.384 15.316 1.00 0.00 H new ATOM 0 HB VAL A 25 7.333 -0.852 15.261 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.007 -2.286 16.382 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.408 -2.404 17.155 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.976 -3.706 16.084 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.205 -1.806 13.979 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.196 -3.211 13.562 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.750 -1.591 12.977 1.00 0.00 H new ATOM 398 N LYS A 26 4.398 -1.800 16.690 1.00 0.00 N ATOM 399 CA LYS A 26 3.483 -0.942 17.440 1.00 0.00 C ATOM 400 C LYS A 26 2.868 -1.707 18.610 1.00 0.00 C ATOM 401 O LYS A 26 2.944 -2.934 18.669 1.00 0.00 O ATOM 402 CB LYS A 26 2.373 -0.395 16.533 1.00 0.00 C ATOM 403 CG LYS A 26 2.156 1.104 16.677 1.00 0.00 C ATOM 404 CD LYS A 26 2.982 1.890 15.672 1.00 0.00 C ATOM 405 CE LYS A 26 4.293 2.364 16.278 1.00 0.00 C ATOM 406 NZ LYS A 26 5.374 2.460 15.259 1.00 0.00 N ATOM 0 H LYS A 26 4.567 -2.710 17.120 1.00 0.00 H new ATOM 0 HA LYS A 26 4.058 -0.101 17.829 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.618 -0.621 15.495 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.441 -0.913 16.760 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.099 1.334 16.539 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.420 1.415 17.688 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.187 1.267 14.801 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.410 2.749 15.322 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.146 3.338 16.744 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.598 1.676 17.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.242 2.819 15.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.556 1.519 14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.081 3.110 14.502 1.00 0.00 H new ATOM 420 N GLY A 27 2.259 -0.973 19.537 1.00 0.00 N ATOM 421 CA GLY A 27 1.636 -1.598 20.693 1.00 0.00 C ATOM 422 C GLY A 27 0.661 -2.696 20.307 1.00 0.00 C ATOM 423 O GLY A 27 1.067 -3.817 20.001 1.00 0.00 O ATOM 0 H GLY A 27 2.185 0.044 19.509 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.410 -2.014 21.338 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.112 -0.839 21.274 1.00 0.00 H new ATOM 427 N ASN A 28 -0.628 -2.372 20.313 1.00 0.00 N ATOM 428 CA ASN A 28 -1.663 -3.335 19.952 1.00 0.00 C ATOM 429 C ASN A 28 -2.143 -3.089 18.525 1.00 0.00 C ATOM 430 O ASN A 28 -2.536 -4.017 17.817 1.00 0.00 O ATOM 431 CB ASN A 28 -2.841 -3.243 20.924 1.00 0.00 C ATOM 432 CG ASN A 28 -3.334 -1.820 21.100 1.00 0.00 C ATOM 433 OD1 ASN A 28 -2.673 -0.995 21.733 1.00 0.00 O ATOM 434 ND2 ASN A 28 -4.501 -1.524 20.541 1.00 0.00 N ATOM 0 H ASN A 28 -0.981 -1.449 20.564 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.237 -4.336 20.012 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.658 -3.866 20.560 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.542 -3.644 21.893 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.883 -0.582 20.627 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.015 -2.238 20.025 1.00 0.00 H new ATOM 441 N GLN A 29 -2.098 -1.828 18.113 1.00 0.00 N ATOM 442 CA GLN A 29 -2.514 -1.434 16.773 1.00 0.00 C ATOM 443 C GLN A 29 -1.345 -0.790 16.033 1.00 0.00 C ATOM 444 O GLN A 29 -0.605 0.005 16.609 1.00 0.00 O ATOM 445 CB GLN A 29 -3.697 -0.466 16.851 1.00 0.00 C ATOM 446 CG GLN A 29 -4.786 -0.753 15.829 1.00 0.00 C ATOM 447 CD GLN A 29 -5.879 -1.647 16.379 1.00 0.00 C ATOM 448 OE1 GLN A 29 -5.623 -2.780 16.788 1.00 0.00 O ATOM 449 NE2 GLN A 29 -7.107 -1.142 16.393 1.00 0.00 N ATOM 0 H GLN A 29 -1.774 -1.055 18.694 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.829 -2.321 16.224 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.128 -0.512 17.851 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.334 0.551 16.706 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.224 0.188 15.496 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.342 -1.225 14.953 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.274 -0.198 16.044 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.883 -1.698 16.753 1.00 0.00 H new ATOM 458 N VAL A 30 -1.164 -1.151 14.765 1.00 0.00 N ATOM 459 CA VAL A 30 -0.059 -0.612 13.979 1.00 0.00 C ATOM 460 C VAL A 30 -0.478 0.622 13.192 1.00 0.00 C ATOM 461 O VAL A 30 -1.476 0.604 12.472 1.00 0.00 O ATOM 462 CB VAL A 30 0.501 -1.660 13.000 1.00 0.00 C ATOM 463 CG1 VAL A 30 1.815 -1.183 12.404 1.00 0.00 C ATOM 464 CG2 VAL A 30 0.678 -3.002 13.695 1.00 0.00 C ATOM 0 H VAL A 30 -1.762 -1.808 14.264 1.00 0.00 H new ATOM 0 HA VAL A 30 0.717 -0.334 14.692 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.214 -1.791 12.188 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.196 -1.936 11.714 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.653 -0.248 11.867 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.539 -1.022 13.202 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.075 -3.729 12.986 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.372 -2.891 14.528 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.286 -3.348 14.069 1.00 0.00 H new ATOM 474 N ARG A 31 0.298 1.695 13.336 1.00 0.00 N ATOM 475 CA ARG A 31 0.023 2.941 12.649 1.00 0.00 C ATOM 476 C ARG A 31 0.523 2.894 11.209 1.00 0.00 C ATOM 477 O ARG A 31 1.711 3.081 10.948 1.00 0.00 O ATOM 478 CB ARG A 31 0.676 4.109 13.393 1.00 0.00 C ATOM 479 CG ARG A 31 -0.233 5.319 13.545 1.00 0.00 C ATOM 480 CD ARG A 31 -0.332 5.767 14.995 1.00 0.00 C ATOM 481 NE ARG A 31 0.903 6.394 15.461 1.00 0.00 N ATOM 482 CZ ARG A 31 1.184 6.616 16.743 1.00 0.00 C ATOM 483 NH1 ARG A 31 0.322 6.264 17.688 1.00 0.00 N ATOM 484 NH2 ARG A 31 2.331 7.190 17.080 1.00 0.00 N ATOM 0 H ARG A 31 1.127 1.719 13.929 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.057 3.087 12.631 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.986 3.771 14.382 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.579 4.408 12.861 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.147 6.139 12.936 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.227 5.077 13.170 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.158 6.470 15.101 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.562 4.908 15.625 1.00 0.00 H new ATOM 0 HE ARG A 31 1.590 6.678 14.763 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.561 5.821 17.434 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.542 6.436 18.669 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.997 7.461 16.357 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.547 7.360 18.062 1.00 0.00 H new ATOM 498 N ILE A 32 -0.389 2.639 10.278 1.00 0.00 N ATOM 499 CA ILE A 32 -0.037 2.564 8.865 1.00 0.00 C ATOM 500 C ILE A 32 -0.127 3.936 8.208 1.00 0.00 C ATOM 501 O ILE A 32 -1.150 4.613 8.304 1.00 0.00 O ATOM 502 CB ILE A 32 -0.953 1.577 8.117 1.00 0.00 C ATOM 503 CG1 ILE A 32 -1.163 0.312 8.956 1.00 0.00 C ATOM 504 CG2 ILE A 32 -0.364 1.231 6.757 1.00 0.00 C ATOM 505 CD1 ILE A 32 0.091 -0.519 9.122 1.00 0.00 C ATOM 0 H ILE A 32 -1.377 2.481 10.476 1.00 0.00 H new ATOM 0 HA ILE A 32 0.991 2.207 8.805 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.922 2.050 7.957 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.534 0.596 9.941 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.935 -0.300 8.489 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.024 0.533 6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.262 2.139 6.163 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.616 0.773 6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.132 -1.398 9.727 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.451 -0.834 8.143 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.859 0.076 9.617 1.00 0.00 H new ATOM 517 N GLY A 33 0.948 4.341 7.539 1.00 0.00 N ATOM 518 CA GLY A 33 0.966 5.632 6.878 1.00 0.00 C ATOM 519 C GLY A 33 0.826 5.515 5.375 1.00 0.00 C ATOM 520 O GLY A 33 1.738 5.046 4.698 1.00 0.00 O ATOM 0 H GLY A 33 1.806 3.798 7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.156 6.248 7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.898 6.145 7.114 1.00 0.00 H new ATOM 524 N VAL A 34 -0.318 5.939 4.849 1.00 0.00 N ATOM 525 CA VAL A 34 -0.558 5.870 3.414 1.00 0.00 C ATOM 526 C VAL A 34 -0.613 7.260 2.790 1.00 0.00 C ATOM 527 O VAL A 34 -1.613 7.968 2.909 1.00 0.00 O ATOM 528 CB VAL A 34 -1.874 5.132 3.101 1.00 0.00 C ATOM 529 CG1 VAL A 34 -2.012 4.891 1.604 1.00 0.00 C ATOM 530 CG2 VAL A 34 -1.948 3.821 3.871 1.00 0.00 C ATOM 0 H VAL A 34 -1.088 6.331 5.391 1.00 0.00 H new ATOM 0 HA VAL A 34 0.277 5.317 2.985 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.705 5.761 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.948 4.369 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.011 5.847 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.176 4.285 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.884 3.314 3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.110 3.185 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.903 4.024 4.941 1.00 0.00 H new ATOM 540 N ASN A 35 0.470 7.641 2.122 1.00 0.00 N ATOM 541 CA ASN A 35 0.546 8.945 1.475 1.00 0.00 C ATOM 542 C ASN A 35 0.071 8.856 0.029 1.00 0.00 C ATOM 543 O ASN A 35 0.757 8.301 -0.830 1.00 0.00 O ATOM 544 CB ASN A 35 1.976 9.487 1.530 1.00 0.00 C ATOM 545 CG ASN A 35 2.022 10.961 1.879 1.00 0.00 C ATOM 546 OD1 ASN A 35 1.255 11.762 1.345 1.00 0.00 O ATOM 547 ND2 ASN A 35 2.926 11.327 2.781 1.00 0.00 N ATOM 0 H ASN A 35 1.306 7.066 2.015 1.00 0.00 H new ATOM 0 HA ASN A 35 -0.108 9.631 2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.547 8.924 2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.459 9.330 0.565 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.004 12.306 3.056 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.542 10.629 3.198 1.00 0.00 H new ATOM 554 N ALA A 36 -1.112 9.401 -0.226 1.00 0.00 N ATOM 555 CA ALA A 36 -1.691 9.381 -1.564 1.00 0.00 C ATOM 556 C ALA A 36 -2.092 10.782 -2.020 1.00 0.00 C ATOM 557 O ALA A 36 -2.641 11.563 -1.243 1.00 0.00 O ATOM 558 CB ALA A 36 -2.894 8.450 -1.601 1.00 0.00 C ATOM 0 H ALA A 36 -1.690 9.863 0.476 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.931 9.011 -2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.318 8.443 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.582 7.441 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.645 8.798 -0.892 1.00 0.00 H new ATOM 564 N PRO A 37 -1.826 11.117 -3.297 1.00 0.00 N ATOM 565 CA PRO A 37 -2.166 12.426 -3.856 1.00 0.00 C ATOM 566 C PRO A 37 -3.649 12.538 -4.194 1.00 0.00 C ATOM 567 O PRO A 37 -4.322 11.531 -4.414 1.00 0.00 O ATOM 568 CB PRO A 37 -1.321 12.488 -5.125 1.00 0.00 C ATOM 569 CG PRO A 37 -1.195 11.068 -5.558 1.00 0.00 C ATOM 570 CD PRO A 37 -1.178 10.244 -4.296 1.00 0.00 C ATOM 0 HA PRO A 37 -1.972 13.239 -3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.801 13.096 -5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.345 12.932 -4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.028 10.781 -6.199 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.282 10.916 -6.134 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.722 9.308 -4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.161 9.985 -4.001 1.00 0.00 H new ATOM 578 N LYS A 38 -4.153 13.766 -4.231 1.00 0.00 N ATOM 579 CA LYS A 38 -5.558 14.004 -4.541 1.00 0.00 C ATOM 580 C LYS A 38 -5.811 13.990 -6.049 1.00 0.00 C ATOM 581 O LYS A 38 -6.936 14.217 -6.496 1.00 0.00 O ATOM 582 CB LYS A 38 -6.008 15.342 -3.951 1.00 0.00 C ATOM 583 CG LYS A 38 -7.409 15.306 -3.362 1.00 0.00 C ATOM 584 CD LYS A 38 -8.026 16.694 -3.308 1.00 0.00 C ATOM 585 CE LYS A 38 -9.543 16.627 -3.243 1.00 0.00 C ATOM 586 NZ LYS A 38 -10.133 16.152 -4.526 1.00 0.00 N ATOM 0 H LYS A 38 -3.611 14.611 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.138 13.196 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.304 15.643 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.969 16.104 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.040 14.649 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.372 14.884 -2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.647 17.228 -2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.723 17.262 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.843 15.958 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.940 17.613 -3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.129 16.447 -4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.606 16.563 -5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.076 15.115 -4.571 1.00 0.00 H new ATOM 600 N GLU A 39 -4.767 13.726 -6.833 1.00 0.00 N ATOM 601 CA GLU A 39 -4.895 13.690 -8.286 1.00 0.00 C ATOM 602 C GLU A 39 -5.395 12.330 -8.764 1.00 0.00 C ATOM 603 O GLU A 39 -6.208 12.247 -9.684 1.00 0.00 O ATOM 604 CB GLU A 39 -3.553 14.012 -8.945 1.00 0.00 C ATOM 605 CG GLU A 39 -2.473 12.980 -8.662 1.00 0.00 C ATOM 606 CD GLU A 39 -1.074 13.549 -8.798 1.00 0.00 C ATOM 607 OE1 GLU A 39 -0.765 14.114 -9.868 1.00 0.00 O ATOM 608 OE2 GLU A 39 -0.288 13.428 -7.835 1.00 0.00 O ATOM 0 H GLU A 39 -3.827 13.535 -6.487 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.627 14.444 -8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.696 14.090 -10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.212 14.987 -8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.605 12.588 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.588 12.141 -9.348 1.00 0.00 H new ATOM 615 N VAL A 40 -4.907 11.264 -8.134 1.00 0.00 N ATOM 616 CA VAL A 40 -5.311 9.912 -8.503 1.00 0.00 C ATOM 617 C VAL A 40 -6.579 9.499 -7.762 1.00 0.00 C ATOM 618 O VAL A 40 -6.806 9.906 -6.623 1.00 0.00 O ATOM 619 CB VAL A 40 -4.196 8.886 -8.212 1.00 0.00 C ATOM 620 CG1 VAL A 40 -4.532 7.542 -8.838 1.00 0.00 C ATOM 621 CG2 VAL A 40 -2.855 9.398 -8.718 1.00 0.00 C ATOM 0 H VAL A 40 -4.234 11.311 -7.369 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.506 9.922 -9.575 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.124 8.750 -7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.735 6.831 -8.623 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.470 7.172 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.633 7.658 -9.917 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.080 8.662 -8.504 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.911 9.564 -9.794 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.612 10.336 -8.219 1.00 0.00 H new ATOM 631 N SER A 41 -7.407 8.693 -8.420 1.00 0.00 N ATOM 632 CA SER A 41 -8.657 8.230 -7.828 1.00 0.00 C ATOM 633 C SER A 41 -8.397 7.361 -6.602 1.00 0.00 C ATOM 634 O SER A 41 -8.088 6.175 -6.723 1.00 0.00 O ATOM 635 CB SER A 41 -9.472 7.446 -8.858 1.00 0.00 C ATOM 636 OG SER A 41 -9.255 7.943 -10.167 1.00 0.00 O ATOM 0 H SER A 41 -7.234 8.347 -9.364 1.00 0.00 H new ATOM 0 HA SER A 41 -9.224 9.106 -7.513 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.199 6.392 -8.816 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.532 7.510 -8.613 1.00 0.00 H new ATOM 0 HG SER A 41 -9.317 7.207 -10.811 1.00 0.00 H new ATOM 642 N VAL A 42 -8.532 7.956 -5.421 1.00 0.00 N ATOM 643 CA VAL A 42 -8.321 7.236 -4.171 1.00 0.00 C ATOM 644 C VAL A 42 -9.570 7.297 -3.293 1.00 0.00 C ATOM 645 O VAL A 42 -10.042 8.381 -2.951 1.00 0.00 O ATOM 646 CB VAL A 42 -7.122 7.807 -3.388 1.00 0.00 C ATOM 647 CG1 VAL A 42 -7.367 9.261 -3.012 1.00 0.00 C ATOM 648 CG2 VAL A 42 -6.841 6.968 -2.151 1.00 0.00 C ATOM 0 H VAL A 42 -8.787 8.937 -5.304 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.109 6.198 -4.429 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.243 7.768 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.508 9.644 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.510 9.852 -3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.259 9.330 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.991 7.387 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.718 6.969 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.612 5.945 -2.450 1.00 0.00 H new ATOM 658 N HIS A 43 -10.105 6.133 -2.933 1.00 0.00 N ATOM 659 CA HIS A 43 -11.300 6.068 -2.098 1.00 0.00 C ATOM 660 C HIS A 43 -11.075 5.154 -0.898 1.00 0.00 C ATOM 661 O HIS A 43 -10.511 4.068 -1.032 1.00 0.00 O ATOM 662 CB HIS A 43 -12.492 5.571 -2.917 1.00 0.00 C ATOM 663 CG HIS A 43 -12.948 6.542 -3.961 1.00 0.00 C ATOM 664 ND1 HIS A 43 -13.651 7.690 -3.666 1.00 0.00 N ATOM 665 CD2 HIS A 43 -12.798 6.533 -5.308 1.00 0.00 C ATOM 666 CE1 HIS A 43 -13.916 8.345 -4.782 1.00 0.00 C ATOM 667 NE2 HIS A 43 -13.408 7.664 -5.793 1.00 0.00 N ATOM 0 H HIS A 43 -9.731 5.224 -3.206 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.513 7.072 -1.732 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -12.224 4.631 -3.399 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -13.322 5.358 -2.243 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.293 5.777 -5.891 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -14.456 9.278 -4.855 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -13.460 7.934 -6.775 1.00 0.00 H new ATOM 675 N ARG A 44 -11.522 5.596 0.274 1.00 0.00 N ATOM 676 CA ARG A 44 -11.373 4.813 1.494 1.00 0.00 C ATOM 677 C ARG A 44 -12.602 4.973 2.385 1.00 0.00 C ATOM 678 O ARG A 44 -13.573 5.626 2.003 1.00 0.00 O ATOM 679 CB ARG A 44 -10.116 5.246 2.252 1.00 0.00 C ATOM 680 CG ARG A 44 -8.826 4.724 1.639 1.00 0.00 C ATOM 681 CD ARG A 44 -8.047 5.828 0.940 1.00 0.00 C ATOM 682 NE ARG A 44 -6.681 5.939 1.448 1.00 0.00 N ATOM 683 CZ ARG A 44 -5.906 7.005 1.262 1.00 0.00 C ATOM 684 NH1 ARG A 44 -6.357 8.053 0.584 1.00 0.00 N ATOM 685 NH2 ARG A 44 -4.676 7.024 1.758 1.00 0.00 N ATOM 0 H ARG A 44 -11.990 6.493 0.403 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.275 3.763 1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.078 6.335 2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.185 4.898 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.207 4.279 2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.056 3.933 0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.021 5.631 -0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.563 6.778 1.076 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.299 5.154 1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.303 8.045 0.202 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.758 8.867 0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.325 6.222 2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.081 7.840 1.616 1.00 0.00 H new ATOM 699 N GLU A 45 -12.557 4.377 3.573 1.00 0.00 N ATOM 700 CA GLU A 45 -13.672 4.463 4.510 1.00 0.00 C ATOM 701 C GLU A 45 -13.999 5.918 4.834 1.00 0.00 C ATOM 702 O GLU A 45 -13.110 6.768 4.887 1.00 0.00 O ATOM 703 CB GLU A 45 -13.347 3.699 5.795 1.00 0.00 C ATOM 704 CG GLU A 45 -12.906 2.264 5.555 1.00 0.00 C ATOM 705 CD GLU A 45 -11.466 2.018 5.962 1.00 0.00 C ATOM 706 OE1 GLU A 45 -10.558 2.506 5.257 1.00 0.00 O ATOM 707 OE2 GLU A 45 -11.247 1.338 6.986 1.00 0.00 O ATOM 0 H GLU A 45 -11.763 3.831 3.909 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.545 4.010 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.559 4.227 6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.226 3.697 6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.557 1.590 6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.027 2.023 4.499 1.00 0.00 H new ATOM 714 N GLU A 46 -15.282 6.200 5.043 1.00 0.00 N ATOM 715 CA GLU A 46 -15.733 7.554 5.354 1.00 0.00 C ATOM 716 C GLU A 46 -14.926 8.164 6.498 1.00 0.00 C ATOM 717 O GLU A 46 -14.206 9.144 6.306 1.00 0.00 O ATOM 718 CB GLU A 46 -17.219 7.547 5.714 1.00 0.00 C ATOM 719 CG GLU A 46 -18.134 7.356 4.516 1.00 0.00 C ATOM 720 CD GLU A 46 -18.797 8.647 4.076 1.00 0.00 C ATOM 721 OE1 GLU A 46 -18.195 9.722 4.280 1.00 0.00 O ATOM 722 OE2 GLU A 46 -19.917 8.582 3.528 1.00 0.00 O ATOM 0 H GLU A 46 -16.030 5.507 5.003 1.00 0.00 H new ATOM 0 HA GLU A 46 -15.578 8.167 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.406 6.750 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.470 8.487 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.559 6.946 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -18.902 6.623 4.764 1.00 0.00 H new ATOM 729 N ILE A 47 -15.054 7.582 7.686 1.00 0.00 N ATOM 730 CA ILE A 47 -14.340 8.071 8.863 1.00 0.00 C ATOM 731 C ILE A 47 -12.844 8.210 8.589 1.00 0.00 C ATOM 732 O ILE A 47 -12.211 9.177 9.015 1.00 0.00 O ATOM 733 CB ILE A 47 -14.556 7.137 10.073 1.00 0.00 C ATOM 734 CG1 ILE A 47 -13.994 7.770 11.354 1.00 0.00 C ATOM 735 CG2 ILE A 47 -13.932 5.770 9.818 1.00 0.00 C ATOM 736 CD1 ILE A 47 -12.484 7.698 11.476 1.00 0.00 C ATOM 0 H ILE A 47 -15.646 6.770 7.861 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.747 9.055 9.096 1.00 0.00 H new ATOM 0 HB ILE A 47 -15.628 6.996 10.210 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -14.300 8.815 11.393 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -14.440 7.274 12.216 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -14.096 5.128 10.683 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -14.392 5.318 8.939 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.861 5.885 9.649 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.172 8.168 12.409 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.168 6.655 11.471 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.026 8.220 10.636 1.00 0.00 H new ATOM 748 N TYR A 48 -12.286 7.236 7.875 1.00 0.00 N ATOM 749 CA TYR A 48 -10.863 7.242 7.543 1.00 0.00 C ATOM 750 C TYR A 48 -10.418 8.605 7.020 1.00 0.00 C ATOM 751 O TYR A 48 -9.643 9.307 7.669 1.00 0.00 O ATOM 752 CB TYR A 48 -10.560 6.162 6.503 1.00 0.00 C ATOM 753 CG TYR A 48 -9.083 5.948 6.259 1.00 0.00 C ATOM 754 CD1 TYR A 48 -8.312 6.924 5.640 1.00 0.00 C ATOM 755 CD2 TYR A 48 -8.460 4.769 6.648 1.00 0.00 C ATOM 756 CE1 TYR A 48 -6.962 6.732 5.416 1.00 0.00 C ATOM 757 CE2 TYR A 48 -7.111 4.569 6.428 1.00 0.00 C ATOM 758 CZ TYR A 48 -6.366 5.553 5.812 1.00 0.00 C ATOM 759 OH TYR A 48 -5.022 5.357 5.591 1.00 0.00 O ATOM 0 H TYR A 48 -12.798 6.431 7.514 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.307 7.032 8.457 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.005 5.222 6.829 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.039 6.432 5.562 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.776 7.848 5.329 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.040 3.996 7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.377 7.501 4.934 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.642 3.647 6.737 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.532 6.178 5.806 1.00 0.00 H new ATOM 769 N GLN A 49 -10.907 8.970 5.839 1.00 0.00 N ATOM 770 CA GLN A 49 -10.552 10.245 5.225 1.00 0.00 C ATOM 771 C GLN A 49 -11.208 11.419 5.950 1.00 0.00 C ATOM 772 O GLN A 49 -10.742 12.554 5.854 1.00 0.00 O ATOM 773 CB GLN A 49 -10.964 10.250 3.752 1.00 0.00 C ATOM 774 CG GLN A 49 -9.894 9.707 2.819 1.00 0.00 C ATOM 775 CD GLN A 49 -10.331 9.710 1.367 1.00 0.00 C ATOM 776 OE1 GLN A 49 -11.330 9.088 1.006 1.00 0.00 O ATOM 777 NE2 GLN A 49 -9.583 10.414 0.526 1.00 0.00 N ATOM 0 H GLN A 49 -11.550 8.401 5.288 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.471 10.362 5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.871 9.657 3.635 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.209 11.270 3.455 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.989 10.305 2.923 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.640 8.689 3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.763 10.914 0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.828 10.454 -0.463 1.00 0.00 H new ATOM 786 N ARG A 50 -12.293 11.145 6.669 1.00 0.00 N ATOM 787 CA ARG A 50 -13.008 12.185 7.398 1.00 0.00 C ATOM 788 C ARG A 50 -12.204 12.684 8.598 1.00 0.00 C ATOM 789 O ARG A 50 -12.502 13.738 9.158 1.00 0.00 O ATOM 790 CB ARG A 50 -14.369 11.666 7.864 1.00 0.00 C ATOM 791 CG ARG A 50 -15.500 11.972 6.896 1.00 0.00 C ATOM 792 CD ARG A 50 -16.802 11.324 7.337 1.00 0.00 C ATOM 793 NE ARG A 50 -17.944 11.817 6.570 1.00 0.00 N ATOM 794 CZ ARG A 50 -19.114 11.186 6.494 1.00 0.00 C ATOM 795 NH1 ARG A 50 -19.302 10.041 7.139 1.00 0.00 N ATOM 796 NH2 ARG A 50 -20.099 11.702 5.772 1.00 0.00 N ATOM 0 H ARG A 50 -12.695 10.212 6.762 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.154 13.024 6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.307 10.587 8.008 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.603 12.105 8.834 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.636 13.051 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.234 11.616 5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.727 10.243 7.221 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.964 11.521 8.397 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.839 12.696 6.063 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.548 9.640 7.697 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -20.201 9.562 7.077 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -19.960 12.582 5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -20.996 11.219 5.713 1.00 0.00 H new ATOM 810 N ILE A 51 -11.189 11.922 8.995 1.00 0.00 N ATOM 811 CA ILE A 51 -10.356 12.297 10.132 1.00 0.00 C ATOM 812 C ILE A 51 -8.936 12.652 9.693 1.00 0.00 C ATOM 813 O ILE A 51 -8.237 13.400 10.376 1.00 0.00 O ATOM 814 CB ILE A 51 -10.296 11.168 11.182 1.00 0.00 C ATOM 815 CG1 ILE A 51 -9.521 11.630 12.419 1.00 0.00 C ATOM 816 CG2 ILE A 51 -9.664 9.916 10.589 1.00 0.00 C ATOM 817 CD1 ILE A 51 -9.966 10.954 13.698 1.00 0.00 C ATOM 0 H ILE A 51 -10.924 11.044 8.548 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.818 13.176 10.581 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.314 10.924 11.484 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.459 11.437 12.266 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.636 12.708 12.528 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.631 9.132 11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.257 9.576 9.740 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.651 10.142 10.257 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.374 11.329 14.533 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.020 11.168 13.875 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.825 9.877 13.608 1.00 0.00 H new ATOM 829 N GLN A 52 -8.513 12.107 8.556 1.00 0.00 N ATOM 830 CA GLN A 52 -7.174 12.367 8.040 1.00 0.00 C ATOM 831 C GLN A 52 -7.218 13.297 6.830 1.00 0.00 C ATOM 832 O GLN A 52 -6.571 14.344 6.817 1.00 0.00 O ATOM 833 CB GLN A 52 -6.489 11.050 7.664 1.00 0.00 C ATOM 834 CG GLN A 52 -5.257 10.745 8.501 1.00 0.00 C ATOM 835 CD GLN A 52 -5.537 10.793 9.990 1.00 0.00 C ATOM 836 OE1 GLN A 52 -6.661 10.555 10.431 1.00 0.00 O ATOM 837 NE2 GLN A 52 -4.511 11.103 10.775 1.00 0.00 N ATOM 0 H GLN A 52 -9.076 11.485 7.977 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.601 12.860 8.825 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.204 10.234 7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.204 11.085 6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.879 9.757 8.238 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.472 11.461 8.259 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.596 11.293 10.367 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.639 11.151 11.786 1.00 0.00 H new ATOM 846 N ALA A 53 -7.980 12.907 5.814 1.00 0.00 N ATOM 847 CA ALA A 53 -8.102 13.705 4.601 1.00 0.00 C ATOM 848 C ALA A 53 -8.779 15.039 4.888 1.00 0.00 C ATOM 849 O ALA A 53 -8.138 16.090 4.861 1.00 0.00 O ATOM 850 CB ALA A 53 -8.872 12.937 3.538 1.00 0.00 C ATOM 0 H ALA A 53 -8.522 12.043 5.807 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.098 13.910 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.955 13.546 2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.345 12.012 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.869 12.701 3.910 1.00 0.00 H new ATOM 856 N GLU A 54 -10.077 14.992 5.166 1.00 0.00 N ATOM 857 CA GLU A 54 -10.838 16.200 5.460 1.00 0.00 C ATOM 858 C GLU A 54 -11.197 16.266 6.940 1.00 0.00 C ATOM 859 O GLU A 54 -11.924 15.415 7.452 1.00 0.00 O ATOM 860 CB GLU A 54 -12.109 16.247 4.610 1.00 0.00 C ATOM 861 CG GLU A 54 -12.519 17.654 4.207 1.00 0.00 C ATOM 862 CD GLU A 54 -11.469 18.348 3.363 1.00 0.00 C ATOM 863 OE1 GLU A 54 -11.140 17.826 2.277 1.00 0.00 O ATOM 864 OE2 GLU A 54 -10.975 19.413 3.788 1.00 0.00 O ATOM 0 H GLU A 54 -10.624 14.131 5.194 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.217 17.062 5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.957 15.650 3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.925 15.785 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.456 17.610 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.707 18.244 5.104 1.00 0.00 H new ATOM 871 N LYS A 55 -10.676 17.282 7.622 1.00 0.00 N ATOM 872 CA LYS A 55 -10.925 17.471 9.042 1.00 0.00 C ATOM 873 C LYS A 55 -12.410 17.338 9.374 1.00 0.00 C ATOM 874 O LYS A 55 -13.213 18.205 9.029 1.00 0.00 O ATOM 875 CB LYS A 55 -10.410 18.842 9.490 1.00 0.00 C ATOM 876 CG LYS A 55 -9.185 18.768 10.387 1.00 0.00 C ATOM 877 CD LYS A 55 -9.488 19.264 11.792 1.00 0.00 C ATOM 878 CE LYS A 55 -10.092 18.167 12.654 1.00 0.00 C ATOM 879 NZ LYS A 55 -9.571 18.204 14.048 1.00 0.00 N ATOM 0 H LYS A 55 -10.073 17.992 7.206 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.389 16.689 9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.169 19.436 8.609 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.207 19.365 10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.829 17.739 10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.381 19.364 9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.571 19.629 12.255 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.176 20.108 11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.177 18.274 12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.873 17.196 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.008 17.440 14.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.539 18.077 14.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.802 19.121 14.481 1.00 0.00 H new ATOM 983 N MET B 1 -1.378 11.979 2.737 1.00 0.00 N ATOM 984 CA MET B 1 -0.845 11.955 4.124 1.00 0.00 C ATOM 985 C MET B 1 -1.924 11.544 5.123 1.00 0.00 C ATOM 986 O MET B 1 -2.344 12.340 5.962 1.00 0.00 O ATOM 987 CB MET B 1 -0.309 13.347 4.463 1.00 0.00 C ATOM 988 CG MET B 1 0.944 13.323 5.324 1.00 0.00 C ATOM 989 SD MET B 1 0.870 14.491 6.697 1.00 0.00 S ATOM 990 CE MET B 1 0.979 16.049 5.822 1.00 0.00 C ATOM 0 H1 MET B 1 -0.667 12.390 2.099 1.00 0.00 H new ATOM 0 H2 MET B 1 -1.597 11.009 2.433 1.00 0.00 H new ATOM 0 H3 MET B 1 -2.243 12.555 2.708 1.00 0.00 H new ATOM 0 HA MET B 1 -0.044 11.219 4.188 1.00 0.00 H new ATOM 0 HB2 MET B 1 -0.093 13.880 3.537 1.00 0.00 H new ATOM 0 HB3 MET B 1 -1.085 13.910 4.981 1.00 0.00 H new ATOM 0 HG2 MET B 1 1.091 12.317 5.716 1.00 0.00 H new ATOM 0 HG3 MET B 1 1.810 13.553 4.704 1.00 0.00 H new ATOM 0 HE1 MET B 1 0.946 16.871 6.537 1.00 0.00 H new ATOM 0 HE2 MET B 1 1.915 16.089 5.266 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.142 16.137 5.130 1.00 0.00 H new ATOM 1002 N LEU B 2 -2.365 10.294 5.027 1.00 0.00 N ATOM 1003 CA LEU B 2 -3.391 9.773 5.923 1.00 0.00 C ATOM 1004 C LEU B 2 -2.884 8.545 6.672 1.00 0.00 C ATOM 1005 O LEU B 2 -2.667 7.490 6.075 1.00 0.00 O ATOM 1006 CB LEU B 2 -4.656 9.418 5.136 1.00 0.00 C ATOM 1007 CG LEU B 2 -4.998 10.366 3.981 1.00 0.00 C ATOM 1008 CD1 LEU B 2 -4.880 11.820 4.420 1.00 0.00 C ATOM 1009 CD2 LEU B 2 -4.099 10.090 2.782 1.00 0.00 C ATOM 0 H LEU B 2 -2.028 9.623 4.337 1.00 0.00 H new ATOM 0 HA LEU B 2 -3.631 10.549 6.650 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -4.544 8.410 4.736 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -5.499 9.395 5.827 1.00 0.00 H new ATOM 0 HG LEU B 2 -6.032 10.186 3.685 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -5.127 12.474 3.584 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -5.568 12.008 5.244 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -3.860 12.020 4.747 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -4.355 10.772 1.971 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -3.057 10.239 3.066 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -4.241 9.062 2.450 1.00 0.00 H new ATOM 1021 N ILE B 3 -2.696 8.684 7.982 1.00 0.00 N ATOM 1022 CA ILE B 3 -2.214 7.577 8.800 1.00 0.00 C ATOM 1023 C ILE B 3 -3.333 6.995 9.656 1.00 0.00 C ATOM 1024 O ILE B 3 -3.881 7.666 10.530 1.00 0.00 O ATOM 1025 CB ILE B 3 -1.036 8.003 9.705 1.00 0.00 C ATOM 1026 CG1 ILE B 3 -0.523 6.811 10.519 1.00 0.00 C ATOM 1027 CG2 ILE B 3 -1.446 9.140 10.629 1.00 0.00 C ATOM 1028 CD1 ILE B 3 0.981 6.803 10.699 1.00 0.00 C ATOM 0 H ILE B 3 -2.869 9.548 8.496 1.00 0.00 H new ATOM 0 HA ILE B 3 -1.859 6.810 8.111 1.00 0.00 H new ATOM 0 HB ILE B 3 -0.229 8.358 9.064 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -0.998 6.820 11.500 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -0.827 5.887 10.026 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -0.600 9.422 11.256 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -1.759 9.998 10.034 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -2.273 8.816 11.260 1.00 0.00 H new ATOM 0 HD11 ILE B 3 1.273 5.931 11.285 1.00 0.00 H new ATOM 0 HD12 ILE B 3 1.464 6.763 9.723 1.00 0.00 H new ATOM 0 HD13 ILE B 3 1.290 7.710 11.219 1.00 0.00 H new ATOM 1040 N LEU B 4 -3.654 5.731 9.400 1.00 0.00 N ATOM 1041 CA LEU B 4 -4.693 5.033 10.146 1.00 0.00 C ATOM 1042 C LEU B 4 -4.133 3.760 10.768 1.00 0.00 C ATOM 1043 O LEU B 4 -3.578 2.911 10.068 1.00 0.00 O ATOM 1044 CB LEU B 4 -5.872 4.696 9.232 1.00 0.00 C ATOM 1045 CG LEU B 4 -7.244 4.726 9.910 1.00 0.00 C ATOM 1046 CD1 LEU B 4 -7.934 6.058 9.659 1.00 0.00 C ATOM 1047 CD2 LEU B 4 -8.109 3.574 9.419 1.00 0.00 C ATOM 0 H LEU B 4 -3.206 5.167 8.677 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.045 5.688 10.943 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.879 5.399 8.399 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -5.713 3.704 8.810 1.00 0.00 H new ATOM 0 HG LEU B 4 -7.099 4.611 10.984 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.908 6.061 10.148 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.323 6.866 10.062 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -8.066 6.203 8.587 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -9.080 3.612 9.912 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.246 3.656 8.341 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -7.621 2.628 9.652 1.00 0.00 H new ATOM 1059 N THR B 5 -4.256 3.635 12.083 1.00 0.00 N ATOM 1060 CA THR B 5 -3.739 2.465 12.779 1.00 0.00 C ATOM 1061 C THR B 5 -4.450 1.192 12.341 1.00 0.00 C ATOM 1062 O THR B 5 -5.342 0.697 13.031 1.00 0.00 O ATOM 1063 CB THR B 5 -3.868 2.631 14.290 1.00 0.00 C ATOM 1064 OG1 THR B 5 -4.092 3.987 14.633 1.00 0.00 O ATOM 1065 CG2 THR B 5 -2.641 2.160 15.036 1.00 0.00 C ATOM 0 H THR B 5 -4.706 4.324 12.685 1.00 0.00 H new ATOM 0 HA THR B 5 -2.685 2.376 12.518 1.00 0.00 H new ATOM 0 HB THR B 5 -4.717 2.014 14.583 1.00 0.00 H new ATOM 0 HG1 THR B 5 -4.173 4.069 15.606 1.00 0.00 H new ATOM 0 HG21 THR B 5 -2.789 2.302 16.107 1.00 0.00 H new ATOM 0 HG22 THR B 5 -2.473 1.103 14.830 1.00 0.00 H new ATOM 0 HG23 THR B 5 -1.774 2.735 14.710 1.00 0.00 H new ATOM 1073 N ARG B 6 -4.046 0.657 11.197 1.00 0.00 N ATOM 1074 CA ARG B 6 -4.647 -0.565 10.686 1.00 0.00 C ATOM 1075 C ARG B 6 -4.081 -1.780 11.408 1.00 0.00 C ATOM 1076 O ARG B 6 -2.897 -1.825 11.749 1.00 0.00 O ATOM 1077 CB ARG B 6 -4.415 -0.705 9.178 1.00 0.00 C ATOM 1078 CG ARG B 6 -4.371 0.618 8.431 1.00 0.00 C ATOM 1079 CD ARG B 6 -4.320 0.404 6.928 1.00 0.00 C ATOM 1080 NE ARG B 6 -4.577 1.638 6.189 1.00 0.00 N ATOM 1081 CZ ARG B 6 -4.960 1.672 4.915 1.00 0.00 C ATOM 1082 NH1 ARG B 6 -5.133 0.544 4.237 1.00 0.00 N ATOM 1083 NH2 ARG B 6 -5.170 2.837 4.318 1.00 0.00 N ATOM 0 H ARG B 6 -3.309 1.048 10.609 1.00 0.00 H new ATOM 0 HA ARG B 6 -5.720 -0.509 10.868 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -3.476 -1.234 9.013 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -5.208 -1.322 8.755 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -5.249 1.211 8.686 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -3.498 1.188 8.749 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -3.341 0.013 6.651 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -5.056 -0.348 6.644 1.00 0.00 H new ATOM 0 HE ARG B 6 -4.456 2.525 6.678 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -4.972 -0.354 4.692 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -5.427 0.576 3.261 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -5.038 3.706 4.835 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -5.464 2.864 3.342 1.00 0.00 H new ATOM 1097 N ARG B 7 -4.940 -2.761 11.640 1.00 0.00 N ATOM 1098 CA ARG B 7 -4.535 -3.985 12.322 1.00 0.00 C ATOM 1099 C ARG B 7 -5.653 -5.030 12.329 1.00 0.00 C ATOM 1100 O ARG B 7 -5.415 -6.196 12.641 1.00 0.00 O ATOM 1101 CB ARG B 7 -4.101 -3.673 13.755 1.00 0.00 C ATOM 1102 CG ARG B 7 -3.388 -4.829 14.439 1.00 0.00 C ATOM 1103 CD ARG B 7 -4.143 -5.304 15.670 1.00 0.00 C ATOM 1104 NE ARG B 7 -3.469 -6.419 16.331 1.00 0.00 N ATOM 1105 CZ ARG B 7 -4.064 -7.240 17.193 1.00 0.00 C ATOM 1106 NH1 ARG B 7 -5.344 -7.075 17.502 1.00 0.00 N ATOM 1107 NH2 ARG B 7 -3.377 -8.229 17.749 1.00 0.00 N ATOM 0 H ARG B 7 -5.922 -2.735 11.367 1.00 0.00 H new ATOM 0 HA ARG B 7 -3.693 -4.404 11.771 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -3.442 -2.805 13.746 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -4.979 -3.401 14.341 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -3.279 -5.656 13.737 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -2.383 -4.519 14.725 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -4.248 -4.477 16.372 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -5.150 -5.608 15.383 1.00 0.00 H new ATOM 0 HE ARG B 7 -2.484 -6.578 16.119 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -5.877 -6.316 17.078 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -5.795 -7.707 18.163 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -2.393 -8.360 17.516 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -3.833 -8.858 18.410 1.00 0.00 H new ATOM 1121 N VAL B 8 -6.871 -4.613 11.987 1.00 0.00 N ATOM 1122 CA VAL B 8 -8.007 -5.524 11.961 1.00 0.00 C ATOM 1123 C VAL B 8 -8.568 -5.664 10.548 1.00 0.00 C ATOM 1124 O VAL B 8 -8.619 -6.764 9.999 1.00 0.00 O ATOM 1125 CB VAL B 8 -9.123 -5.049 12.909 1.00 0.00 C ATOM 1126 CG1 VAL B 8 -10.181 -6.129 13.074 1.00 0.00 C ATOM 1127 CG2 VAL B 8 -8.539 -4.653 14.258 1.00 0.00 C ATOM 0 H VAL B 8 -7.093 -3.652 11.725 1.00 0.00 H new ATOM 0 HA VAL B 8 -7.647 -6.496 12.298 1.00 0.00 H new ATOM 0 HB VAL B 8 -9.600 -4.172 12.471 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -10.961 -5.774 13.748 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -10.618 -6.361 12.103 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -9.723 -7.026 13.490 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -9.340 -4.319 14.917 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -8.036 -5.512 14.703 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -7.822 -3.844 14.121 1.00 0.00 H new ATOM 1137 N GLY B 9 -8.986 -4.544 9.962 1.00 0.00 N ATOM 1138 CA GLY B 9 -9.534 -4.575 8.617 1.00 0.00 C ATOM 1139 C GLY B 9 -9.809 -3.190 8.062 1.00 0.00 C ATOM 1140 O GLY B 9 -10.775 -2.537 8.456 1.00 0.00 O ATOM 0 H GLY B 9 -8.955 -3.620 10.393 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -8.838 -5.094 7.958 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -10.460 -5.151 8.620 1.00 0.00 H new ATOM 1144 N GLU B 10 -8.960 -2.743 7.140 1.00 0.00 N ATOM 1145 CA GLU B 10 -9.117 -1.429 6.522 1.00 0.00 C ATOM 1146 C GLU B 10 -9.460 -1.565 5.040 1.00 0.00 C ATOM 1147 O GLU B 10 -10.600 -1.343 4.632 1.00 0.00 O ATOM 1148 CB GLU B 10 -7.838 -0.606 6.693 1.00 0.00 C ATOM 1149 CG GLU B 10 -7.965 0.511 7.716 1.00 0.00 C ATOM 1150 CD GLU B 10 -8.104 -0.010 9.133 1.00 0.00 C ATOM 1151 OE1 GLU B 10 -7.416 -0.995 9.473 1.00 0.00 O ATOM 1152 OE2 GLU B 10 -8.900 0.567 9.902 1.00 0.00 O ATOM 0 H GLU B 10 -8.155 -3.272 6.804 1.00 0.00 H new ATOM 0 HA GLU B 10 -9.938 -0.914 7.020 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -7.026 -1.270 6.991 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -7.561 -0.176 5.730 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -7.089 1.157 7.654 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -8.832 1.126 7.472 1.00 0.00 H new ATOM 1159 N THR B 11 -8.462 -1.936 4.242 1.00 0.00 N ATOM 1160 CA THR B 11 -8.646 -2.113 2.803 1.00 0.00 C ATOM 1161 C THR B 11 -8.876 -0.776 2.101 1.00 0.00 C ATOM 1162 O THR B 11 -9.973 -0.221 2.146 1.00 0.00 O ATOM 1163 CB THR B 11 -9.820 -3.054 2.526 1.00 0.00 C ATOM 1164 OG1 THR B 11 -9.750 -4.202 3.352 1.00 0.00 O ATOM 1165 CG2 THR B 11 -9.882 -3.526 1.089 1.00 0.00 C ATOM 0 H THR B 11 -7.514 -2.121 4.569 1.00 0.00 H new ATOM 0 HA THR B 11 -7.731 -2.553 2.406 1.00 0.00 H new ATOM 0 HB THR B 11 -10.715 -2.469 2.739 1.00 0.00 H new ATOM 0 HG1 THR B 11 -10.510 -4.790 3.160 1.00 0.00 H new ATOM 0 HG21 THR B 11 -10.737 -4.190 0.961 1.00 0.00 H new ATOM 0 HG22 THR B 11 -9.988 -2.666 0.428 1.00 0.00 H new ATOM 0 HG23 THR B 11 -8.966 -4.063 0.842 1.00 0.00 H new ATOM 1173 N LEU B 12 -7.833 -0.270 1.447 1.00 0.00 N ATOM 1174 CA LEU B 12 -7.921 0.997 0.726 1.00 0.00 C ATOM 1175 C LEU B 12 -7.865 0.764 -0.781 1.00 0.00 C ATOM 1176 O LEU B 12 -7.308 -0.232 -1.242 1.00 0.00 O ATOM 1177 CB LEU B 12 -6.800 1.951 1.170 1.00 0.00 C ATOM 1178 CG LEU B 12 -5.492 1.877 0.369 1.00 0.00 C ATOM 1179 CD1 LEU B 12 -4.814 3.238 0.328 1.00 0.00 C ATOM 1180 CD2 LEU B 12 -4.559 0.836 0.966 1.00 0.00 C ATOM 0 H LEU B 12 -6.918 -0.718 1.402 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.879 1.460 0.964 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.178 2.972 1.117 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -6.573 1.750 2.217 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.731 1.580 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -3.889 3.166 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.478 3.961 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -4.589 3.563 1.344 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -3.637 0.798 0.385 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.327 1.104 1.997 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -5.042 -0.141 0.944 1.00 0.00 H new ATOM 1192 N MET B 13 -8.436 1.689 -1.548 1.00 0.00 N ATOM 1193 CA MET B 13 -8.432 1.572 -2.999 1.00 0.00 C ATOM 1194 C MET B 13 -7.883 2.838 -3.641 1.00 0.00 C ATOM 1195 O MET B 13 -8.589 3.837 -3.777 1.00 0.00 O ATOM 1196 CB MET B 13 -9.847 1.298 -3.514 1.00 0.00 C ATOM 1197 CG MET B 13 -9.892 0.892 -4.977 1.00 0.00 C ATOM 1198 SD MET B 13 -11.576 0.683 -5.588 1.00 0.00 S ATOM 1199 CE MET B 13 -11.321 -0.542 -6.869 1.00 0.00 C ATOM 0 H MET B 13 -8.904 2.522 -1.190 1.00 0.00 H new ATOM 0 HA MET B 13 -7.787 0.737 -3.271 1.00 0.00 H new ATOM 0 HB2 MET B 13 -10.297 0.509 -2.912 1.00 0.00 H new ATOM 0 HB3 MET B 13 -10.455 2.192 -3.374 1.00 0.00 H new ATOM 0 HG2 MET B 13 -9.384 1.648 -5.576 1.00 0.00 H new ATOM 0 HG3 MET B 13 -9.344 -0.041 -5.108 1.00 0.00 H new ATOM 0 HE1 MET B 13 -11.884 -0.260 -7.759 1.00 0.00 H new ATOM 0 HE2 MET B 13 -10.260 -0.598 -7.113 1.00 0.00 H new ATOM 0 HE3 MET B 13 -11.664 -1.515 -6.516 1.00 0.00 H new ATOM 1209 N ILE B 14 -6.616 2.787 -4.035 1.00 0.00 N ATOM 1210 CA ILE B 14 -5.966 3.926 -4.666 1.00 0.00 C ATOM 1211 C ILE B 14 -5.576 3.597 -6.104 1.00 0.00 C ATOM 1212 O ILE B 14 -5.092 2.502 -6.392 1.00 0.00 O ATOM 1213 CB ILE B 14 -4.717 4.369 -3.875 1.00 0.00 C ATOM 1214 CG1 ILE B 14 -4.071 5.603 -4.525 1.00 0.00 C ATOM 1215 CG2 ILE B 14 -3.721 3.222 -3.756 1.00 0.00 C ATOM 1216 CD1 ILE B 14 -3.198 5.296 -5.727 1.00 0.00 C ATOM 0 H ILE B 14 -6.019 1.967 -3.928 1.00 0.00 H new ATOM 0 HA ILE B 14 -6.681 4.749 -4.670 1.00 0.00 H new ATOM 0 HB ILE B 14 -5.028 4.647 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -4.859 6.292 -4.830 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -3.469 6.119 -3.777 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -2.848 3.555 -3.195 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -4.189 2.386 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -3.413 2.903 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.783 6.223 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -2.386 4.634 -5.427 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -3.797 4.809 -6.497 1.00 0.00 H new ATOM 1228 N GLY B 15 -5.793 4.549 -7.005 1.00 0.00 N ATOM 1229 CA GLY B 15 -5.463 4.340 -8.404 1.00 0.00 C ATOM 1230 C GLY B 15 -6.673 4.494 -9.305 1.00 0.00 C ATOM 1231 O GLY B 15 -7.139 5.609 -9.543 1.00 0.00 O ATOM 0 H GLY B 15 -6.192 5.463 -6.792 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -4.695 5.052 -8.705 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -5.041 3.343 -8.531 1.00 0.00 H new ATOM 1235 N ASP B 16 -7.186 3.374 -9.805 1.00 0.00 N ATOM 1236 CA ASP B 16 -8.354 3.395 -10.682 1.00 0.00 C ATOM 1237 C ASP B 16 -9.061 2.037 -10.730 1.00 0.00 C ATOM 1238 O ASP B 16 -9.983 1.846 -11.522 1.00 0.00 O ATOM 1239 CB ASP B 16 -7.941 3.812 -12.095 1.00 0.00 C ATOM 1240 CG ASP B 16 -8.961 4.722 -12.751 1.00 0.00 C ATOM 1241 OD1 ASP B 16 -9.405 5.687 -12.093 1.00 0.00 O ATOM 1242 OD2 ASP B 16 -9.316 4.470 -13.921 1.00 0.00 O ATOM 0 H ASP B 16 -6.813 2.443 -9.619 1.00 0.00 H new ATOM 0 HA ASP B 16 -9.056 4.121 -10.272 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -6.978 4.321 -12.054 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -7.805 2.921 -12.709 1.00 0.00 H new ATOM 1247 N GLU B 17 -8.631 1.100 -9.879 1.00 0.00 N ATOM 1248 CA GLU B 17 -9.224 -0.239 -9.822 1.00 0.00 C ATOM 1249 C GLU B 17 -8.284 -1.199 -9.095 1.00 0.00 C ATOM 1250 O GLU B 17 -7.839 -2.199 -9.659 1.00 0.00 O ATOM 1251 CB GLU B 17 -9.527 -0.769 -11.232 1.00 0.00 C ATOM 1252 CG GLU B 17 -11.012 -0.843 -11.548 1.00 0.00 C ATOM 1253 CD GLU B 17 -11.307 -1.705 -12.760 1.00 0.00 C ATOM 1254 OE1 GLU B 17 -10.983 -1.275 -13.887 1.00 0.00 O ATOM 1255 OE2 GLU B 17 -11.863 -2.809 -12.582 1.00 0.00 O ATOM 0 H GLU B 17 -7.869 1.246 -9.216 1.00 0.00 H new ATOM 0 HA GLU B 17 -10.163 -0.171 -9.273 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -9.040 -0.126 -11.965 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -9.091 -1.762 -11.339 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -11.544 -1.242 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -11.394 0.163 -11.721 1.00 0.00 H new ATOM 1262 N VAL B 18 -7.970 -0.879 -7.844 1.00 0.00 N ATOM 1263 CA VAL B 18 -7.075 -1.696 -7.051 1.00 0.00 C ATOM 1264 C VAL B 18 -7.786 -2.293 -5.832 1.00 0.00 C ATOM 1265 O VAL B 18 -9.013 -2.395 -5.804 1.00 0.00 O ATOM 1266 CB VAL B 18 -5.862 -0.863 -6.598 1.00 0.00 C ATOM 1267 CG1 VAL B 18 -5.195 -0.198 -7.793 1.00 0.00 C ATOM 1268 CG2 VAL B 18 -6.268 0.176 -5.562 1.00 0.00 C ATOM 0 H VAL B 18 -8.327 -0.055 -7.361 1.00 0.00 H new ATOM 0 HA VAL B 18 -6.736 -2.522 -7.677 1.00 0.00 H new ATOM 0 HB VAL B 18 -5.143 -1.538 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -4.340 0.386 -7.454 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -4.857 -0.962 -8.493 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -5.909 0.459 -8.289 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -5.392 0.750 -5.260 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.011 0.848 -5.992 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -6.692 -0.325 -4.691 1.00 0.00 H new ATOM 1278 N THR B 19 -7.003 -2.683 -4.827 1.00 0.00 N ATOM 1279 CA THR B 19 -7.534 -3.268 -3.600 1.00 0.00 C ATOM 1280 C THR B 19 -6.381 -3.748 -2.726 1.00 0.00 C ATOM 1281 O THR B 19 -5.777 -4.784 -2.997 1.00 0.00 O ATOM 1282 CB THR B 19 -8.482 -4.430 -3.914 1.00 0.00 C ATOM 1283 OG1 THR B 19 -8.656 -5.257 -2.778 1.00 0.00 O ATOM 1284 CG2 THR B 19 -8.005 -5.309 -5.051 1.00 0.00 C ATOM 0 H THR B 19 -5.986 -2.602 -4.842 1.00 0.00 H new ATOM 0 HA THR B 19 -8.102 -2.507 -3.065 1.00 0.00 H new ATOM 0 HB THR B 19 -9.420 -3.960 -4.211 1.00 0.00 H new ATOM 0 HG1 THR B 19 -9.266 -5.992 -2.999 1.00 0.00 H new ATOM 0 HG21 THR B 19 -8.725 -6.110 -5.218 1.00 0.00 H new ATOM 0 HG22 THR B 19 -7.910 -4.712 -5.958 1.00 0.00 H new ATOM 0 HG23 THR B 19 -7.036 -5.739 -4.797 1.00 0.00 H new ATOM 1292 N VAL B 20 -6.061 -2.978 -1.692 1.00 0.00 N ATOM 1293 CA VAL B 20 -4.957 -3.322 -0.804 1.00 0.00 C ATOM 1294 C VAL B 20 -5.437 -3.739 0.583 1.00 0.00 C ATOM 1295 O VAL B 20 -5.804 -2.897 1.404 1.00 0.00 O ATOM 1296 CB VAL B 20 -3.979 -2.141 -0.656 1.00 0.00 C ATOM 1297 CG1 VAL B 20 -2.750 -2.552 0.142 1.00 0.00 C ATOM 1298 CG2 VAL B 20 -3.580 -1.603 -2.021 1.00 0.00 C ATOM 0 H VAL B 20 -6.548 -2.115 -1.449 1.00 0.00 H new ATOM 0 HA VAL B 20 -4.449 -4.170 -1.264 1.00 0.00 H new ATOM 0 HB VAL B 20 -4.486 -1.346 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -2.074 -1.702 0.233 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -3.055 -2.882 1.135 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -2.240 -3.368 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -2.889 -0.769 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -3.096 -2.392 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -4.469 -1.261 -2.551 1.00 0.00 H new ATOM 1308 N THR B 21 -5.407 -5.043 0.842 1.00 0.00 N ATOM 1309 CA THR B 21 -5.811 -5.580 2.136 1.00 0.00 C ATOM 1310 C THR B 21 -4.610 -5.630 3.077 1.00 0.00 C ATOM 1311 O THR B 21 -3.718 -6.464 2.918 1.00 0.00 O ATOM 1312 CB THR B 21 -6.408 -6.978 1.971 1.00 0.00 C ATOM 1313 OG1 THR B 21 -7.452 -6.968 1.013 1.00 0.00 O ATOM 1314 CG2 THR B 21 -6.971 -7.545 3.257 1.00 0.00 C ATOM 0 H THR B 21 -5.106 -5.749 0.170 1.00 0.00 H new ATOM 0 HA THR B 21 -6.571 -4.927 2.564 1.00 0.00 H new ATOM 0 HB THR B 21 -5.580 -7.608 1.647 1.00 0.00 H new ATOM 0 HG1 THR B 21 -7.820 -7.872 0.921 1.00 0.00 H new ATOM 0 HG21 THR B 21 -7.378 -8.538 3.069 1.00 0.00 H new ATOM 0 HG22 THR B 21 -6.179 -7.613 4.002 1.00 0.00 H new ATOM 0 HG23 THR B 21 -7.762 -6.892 3.627 1.00 0.00 H new ATOM 1322 N VAL B 22 -4.584 -4.720 4.044 1.00 0.00 N ATOM 1323 CA VAL B 22 -3.481 -4.644 4.996 1.00 0.00 C ATOM 1324 C VAL B 22 -3.570 -5.737 6.060 1.00 0.00 C ATOM 1325 O VAL B 22 -4.351 -6.680 5.935 1.00 0.00 O ATOM 1326 CB VAL B 22 -3.441 -3.261 5.680 1.00 0.00 C ATOM 1327 CG1 VAL B 22 -3.269 -2.162 4.643 1.00 0.00 C ATOM 1328 CG2 VAL B 22 -4.700 -3.032 6.505 1.00 0.00 C ATOM 0 H VAL B 22 -5.315 -4.024 4.190 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.562 -4.794 4.429 1.00 0.00 H new ATOM 0 HB VAL B 22 -2.585 -3.234 6.355 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -3.243 -1.193 5.141 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.336 -2.317 4.100 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -4.104 -2.188 3.943 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -4.651 -2.051 6.979 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.574 -3.078 5.855 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.777 -3.802 7.272 1.00 0.00 H new ATOM 1338 N LEU B 23 -2.755 -5.602 7.103 1.00 0.00 N ATOM 1339 CA LEU B 23 -2.729 -6.575 8.189 1.00 0.00 C ATOM 1340 C LEU B 23 -1.831 -6.102 9.329 1.00 0.00 C ATOM 1341 O LEU B 23 -0.771 -5.520 9.098 1.00 0.00 O ATOM 1342 CB LEU B 23 -2.239 -7.929 7.667 1.00 0.00 C ATOM 1343 CG LEU B 23 -3.015 -9.145 8.176 1.00 0.00 C ATOM 1344 CD1 LEU B 23 -2.830 -9.309 9.679 1.00 0.00 C ATOM 1345 CD2 LEU B 23 -4.491 -9.019 7.829 1.00 0.00 C ATOM 0 H LEU B 23 -2.103 -4.826 7.218 1.00 0.00 H new ATOM 0 HA LEU B 23 -3.743 -6.681 8.575 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -2.286 -7.919 6.578 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -1.190 -8.047 7.940 1.00 0.00 H new ATOM 0 HG LEU B 23 -2.621 -10.034 7.684 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -3.390 -10.179 10.022 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -1.772 -9.447 9.902 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -3.196 -8.418 10.190 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -5.028 -9.893 8.199 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -4.898 -8.120 8.292 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -4.606 -8.954 6.747 1.00 0.00 H new ATOM 1357 N GLY B 24 -2.264 -6.359 10.559 1.00 0.00 N ATOM 1358 CA GLY B 24 -1.489 -5.959 11.721 1.00 0.00 C ATOM 1359 C GLY B 24 -1.201 -7.120 12.656 1.00 0.00 C ATOM 1360 O GLY B 24 -0.229 -7.091 13.410 1.00 0.00 O ATOM 0 H GLY B 24 -3.139 -6.838 10.773 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -0.547 -5.520 11.392 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -2.029 -5.184 12.265 1.00 0.00 H new ATOM 1364 N VAL B 25 -2.047 -8.145 12.603 1.00 0.00 N ATOM 1365 CA VAL B 25 -1.882 -9.321 13.446 1.00 0.00 C ATOM 1366 C VAL B 25 -0.938 -10.323 12.791 1.00 0.00 C ATOM 1367 O VAL B 25 -1.099 -10.659 11.618 1.00 0.00 O ATOM 1368 CB VAL B 25 -3.231 -10.020 13.740 1.00 0.00 C ATOM 1369 CG1 VAL B 25 -3.269 -10.517 15.177 1.00 0.00 C ATOM 1370 CG2 VAL B 25 -4.409 -9.093 13.462 1.00 0.00 C ATOM 0 H VAL B 25 -2.856 -8.183 11.982 1.00 0.00 H new ATOM 0 HA VAL B 25 -1.460 -8.974 14.389 1.00 0.00 H new ATOM 0 HB VAL B 25 -3.318 -10.876 13.071 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -4.224 -11.006 15.368 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -2.459 -11.228 15.338 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -3.151 -9.673 15.857 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -5.341 -9.614 13.679 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -4.333 -8.208 14.094 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -4.396 -8.793 12.414 1.00 0.00 H new ATOM 1380 N LYS B 26 0.045 -10.802 13.551 1.00 0.00 N ATOM 1381 CA LYS B 26 1.015 -11.770 13.042 1.00 0.00 C ATOM 1382 C LYS B 26 2.123 -12.008 14.065 1.00 0.00 C ATOM 1383 O LYS B 26 2.275 -11.244 15.018 1.00 0.00 O ATOM 1384 CB LYS B 26 1.623 -11.295 11.716 1.00 0.00 C ATOM 1385 CG LYS B 26 1.629 -12.366 10.634 1.00 0.00 C ATOM 1386 CD LYS B 26 0.382 -12.295 9.768 1.00 0.00 C ATOM 1387 CE LYS B 26 -0.684 -13.266 10.247 1.00 0.00 C ATOM 1388 NZ LYS B 26 -2.058 -12.767 9.965 1.00 0.00 N ATOM 0 H LYS B 26 0.191 -10.535 14.524 1.00 0.00 H new ATOM 0 HA LYS B 26 0.488 -12.708 12.865 1.00 0.00 H new ATOM 0 HB2 LYS B 26 1.064 -10.431 11.358 1.00 0.00 H new ATOM 0 HB3 LYS B 26 2.646 -10.962 11.893 1.00 0.00 H new ATOM 0 HG2 LYS B 26 2.514 -12.247 10.009 1.00 0.00 H new ATOM 0 HG3 LYS B 26 1.696 -13.351 11.097 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -0.015 -11.280 9.783 1.00 0.00 H new ATOM 0 HD3 LYS B 26 0.643 -12.520 8.734 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -0.541 -14.231 9.760 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -0.570 -13.430 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -2.753 -13.494 10.230 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -2.234 -11.903 10.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -2.149 -12.554 8.951 1.00 0.00 H new ATOM 1402 N GLY B 27 2.895 -13.071 13.859 1.00 0.00 N ATOM 1403 CA GLY B 27 3.983 -13.392 14.770 1.00 0.00 C ATOM 1404 C GLY B 27 4.921 -12.218 14.992 1.00 0.00 C ATOM 1405 O GLY B 27 4.621 -11.314 15.772 1.00 0.00 O ATOM 0 H GLY B 27 2.788 -13.717 13.077 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.569 -13.709 15.728 1.00 0.00 H new ATOM 0 HA3 GLY B 27 4.549 -14.235 14.373 1.00 0.00 H new ATOM 1409 N ASN B 28 6.055 -12.229 14.300 1.00 0.00 N ATOM 1410 CA ASN B 28 7.036 -11.154 14.418 1.00 0.00 C ATOM 1411 C ASN B 28 6.928 -10.204 13.230 1.00 0.00 C ATOM 1412 O ASN B 28 7.187 -9.006 13.348 1.00 0.00 O ATOM 1413 CB ASN B 28 8.451 -11.730 14.502 1.00 0.00 C ATOM 1414 CG ASN B 28 8.735 -12.728 13.396 1.00 0.00 C ATOM 1415 OD1 ASN B 28 8.219 -13.845 13.405 1.00 0.00 O ATOM 1416 ND2 ASN B 28 9.561 -12.328 12.436 1.00 0.00 N ATOM 0 H ASN B 28 6.319 -12.970 13.651 1.00 0.00 H new ATOM 0 HA ASN B 28 6.829 -10.598 15.332 1.00 0.00 H new ATOM 0 HB2 ASN B 28 9.175 -10.917 14.449 1.00 0.00 H new ATOM 0 HB3 ASN B 28 8.586 -12.215 15.469 1.00 0.00 H new ATOM 0 HD21 ASN B 28 9.790 -12.956 11.666 1.00 0.00 H new ATOM 0 HD22 ASN B 28 9.966 -11.392 12.469 1.00 0.00 H new ATOM 1423 N GLN B 29 6.533 -10.754 12.088 1.00 0.00 N ATOM 1424 CA GLN B 29 6.373 -9.977 10.866 1.00 0.00 C ATOM 1425 C GLN B 29 4.928 -10.060 10.381 1.00 0.00 C ATOM 1426 O GLN B 29 4.324 -11.131 10.406 1.00 0.00 O ATOM 1427 CB GLN B 29 7.331 -10.486 9.786 1.00 0.00 C ATOM 1428 CG GLN B 29 8.013 -9.375 9.006 1.00 0.00 C ATOM 1429 CD GLN B 29 9.362 -8.999 9.589 1.00 0.00 C ATOM 1430 OE1 GLN B 29 9.457 -8.580 10.742 1.00 0.00 O ATOM 1431 NE2 GLN B 29 10.413 -9.145 8.791 1.00 0.00 N ATOM 0 H GLN B 29 6.316 -11.745 11.983 1.00 0.00 H new ATOM 0 HA GLN B 29 6.612 -8.934 11.075 1.00 0.00 H new ATOM 0 HB2 GLN B 29 8.092 -11.111 10.253 1.00 0.00 H new ATOM 0 HB3 GLN B 29 6.779 -11.120 9.092 1.00 0.00 H new ATOM 0 HG2 GLN B 29 8.143 -9.690 7.971 1.00 0.00 H new ATOM 0 HG3 GLN B 29 7.369 -8.496 8.993 1.00 0.00 H new ATOM 0 HE21 GLN B 29 10.288 -9.496 7.842 1.00 0.00 H new ATOM 0 HE22 GLN B 29 11.346 -8.906 9.127 1.00 0.00 H new ATOM 1440 N VAL B 30 4.368 -8.928 9.964 1.00 0.00 N ATOM 1441 CA VAL B 30 2.982 -8.898 9.505 1.00 0.00 C ATOM 1442 C VAL B 30 2.886 -9.082 7.996 1.00 0.00 C ATOM 1443 O VAL B 30 3.549 -8.384 7.231 1.00 0.00 O ATOM 1444 CB VAL B 30 2.290 -7.579 9.891 1.00 0.00 C ATOM 1445 CG1 VAL B 30 0.790 -7.679 9.663 1.00 0.00 C ATOM 1446 CG2 VAL B 30 2.594 -7.216 11.337 1.00 0.00 C ATOM 0 H VAL B 30 4.846 -8.028 9.934 1.00 0.00 H new ATOM 0 HA VAL B 30 2.476 -9.728 9.998 1.00 0.00 H new ATOM 0 HB VAL B 30 2.681 -6.786 9.254 1.00 0.00 H new ATOM 0 HG11 VAL B 30 0.316 -6.738 9.941 1.00 0.00 H new ATOM 0 HG12 VAL B 30 0.595 -7.887 8.611 1.00 0.00 H new ATOM 0 HG13 VAL B 30 0.382 -8.485 10.273 1.00 0.00 H new ATOM 0 HG21 VAL B 30 2.095 -6.280 11.590 1.00 0.00 H new ATOM 0 HG22 VAL B 30 2.235 -8.008 11.994 1.00 0.00 H new ATOM 0 HG23 VAL B 30 3.670 -7.099 11.464 1.00 0.00 H new ATOM 1456 N ARG B 31 2.048 -10.030 7.579 1.00 0.00 N ATOM 1457 CA ARG B 31 1.852 -10.318 6.173 1.00 0.00 C ATOM 1458 C ARG B 31 0.886 -9.323 5.539 1.00 0.00 C ATOM 1459 O ARG B 31 -0.331 -9.452 5.674 1.00 0.00 O ATOM 1460 CB ARG B 31 1.326 -11.745 5.994 1.00 0.00 C ATOM 1461 CG ARG B 31 2.019 -12.515 4.881 1.00 0.00 C ATOM 1462 CD ARG B 31 2.555 -13.851 5.371 1.00 0.00 C ATOM 1463 NE ARG B 31 1.483 -14.810 5.630 1.00 0.00 N ATOM 1464 CZ ARG B 31 1.646 -15.935 6.323 1.00 0.00 C ATOM 1465 NH1 ARG B 31 2.835 -16.246 6.826 1.00 0.00 N ATOM 1466 NH2 ARG B 31 0.619 -16.751 6.514 1.00 0.00 N ATOM 0 H ARG B 31 1.493 -10.612 8.207 1.00 0.00 H new ATOM 0 HA ARG B 31 2.815 -10.226 5.672 1.00 0.00 H new ATOM 0 HB2 ARG B 31 1.448 -12.288 6.931 1.00 0.00 H new ATOM 0 HB3 ARG B 31 0.257 -11.706 5.786 1.00 0.00 H new ATOM 0 HG2 ARG B 31 1.318 -12.682 4.063 1.00 0.00 H new ATOM 0 HG3 ARG B 31 2.839 -11.918 4.482 1.00 0.00 H new ATOM 0 HD2 ARG B 31 3.237 -14.262 4.627 1.00 0.00 H new ATOM 0 HD3 ARG B 31 3.132 -13.698 6.283 1.00 0.00 H new ATOM 0 HE ARG B 31 0.556 -14.605 5.258 1.00 0.00 H new ATOM 0 HH11 ARG B 31 3.629 -15.622 6.682 1.00 0.00 H new ATOM 0 HH12 ARG B 31 2.955 -17.109 7.356 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -0.297 -16.517 6.130 1.00 0.00 H new ATOM 0 HH22 ARG B 31 0.744 -17.613 7.045 1.00 0.00 H new ATOM 1480 N ILE B 32 1.434 -8.327 4.851 1.00 0.00 N ATOM 1481 CA ILE B 32 0.618 -7.308 4.202 1.00 0.00 C ATOM 1482 C ILE B 32 0.242 -7.733 2.787 1.00 0.00 C ATOM 1483 O ILE B 32 1.106 -8.089 1.986 1.00 0.00 O ATOM 1484 CB ILE B 32 1.354 -5.957 4.152 1.00 0.00 C ATOM 1485 CG1 ILE B 32 2.053 -5.687 5.488 1.00 0.00 C ATOM 1486 CG2 ILE B 32 0.384 -4.834 3.814 1.00 0.00 C ATOM 1487 CD1 ILE B 32 1.095 -5.457 6.637 1.00 0.00 C ATOM 0 H ILE B 32 2.439 -8.204 4.729 1.00 0.00 H new ATOM 0 HA ILE B 32 -0.290 -7.193 4.794 1.00 0.00 H new ATOM 0 HB ILE B 32 2.111 -5.999 3.369 1.00 0.00 H new ATOM 0 HG12 ILE B 32 2.699 -6.532 5.728 1.00 0.00 H new ATOM 0 HG13 ILE B 32 2.697 -4.814 5.382 1.00 0.00 H new ATOM 0 HG21 ILE B 32 0.921 -3.886 3.783 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.070 -5.026 2.842 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -0.395 -4.785 4.575 1.00 0.00 H new ATOM 0 HD11 ILE B 32 1.660 -5.272 7.551 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.466 -4.594 6.419 1.00 0.00 H new ATOM 0 HD13 ILE B 32 0.468 -6.339 6.770 1.00 0.00 H new ATOM 1499 N GLY B 33 -1.052 -7.693 2.483 1.00 0.00 N ATOM 1500 CA GLY B 33 -1.516 -8.079 1.164 1.00 0.00 C ATOM 1501 C GLY B 33 -1.904 -6.886 0.316 1.00 0.00 C ATOM 1502 O GLY B 33 -2.908 -6.230 0.585 1.00 0.00 O ATOM 0 H GLY B 33 -1.787 -7.400 3.127 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -0.733 -8.642 0.657 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -2.373 -8.744 1.264 1.00 0.00 H new ATOM 1506 N VAL B 34 -1.109 -6.600 -0.709 1.00 0.00 N ATOM 1507 CA VAL B 34 -1.389 -5.473 -1.588 1.00 0.00 C ATOM 1508 C VAL B 34 -1.788 -5.939 -2.983 1.00 0.00 C ATOM 1509 O VAL B 34 -0.942 -6.335 -3.784 1.00 0.00 O ATOM 1510 CB VAL B 34 -0.170 -4.538 -1.706 1.00 0.00 C ATOM 1511 CG1 VAL B 34 -0.539 -3.268 -2.460 1.00 0.00 C ATOM 1512 CG2 VAL B 34 0.386 -4.209 -0.328 1.00 0.00 C ATOM 0 H VAL B 34 -0.271 -7.130 -0.950 1.00 0.00 H new ATOM 0 HA VAL B 34 -2.220 -4.928 -1.140 1.00 0.00 H new ATOM 0 HB VAL B 34 0.606 -5.053 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL B 34 0.335 -2.621 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -0.883 -3.526 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -1.333 -2.746 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL B 34 1.246 -3.548 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -0.383 -3.714 0.266 1.00 0.00 H new ATOM 0 HG23 VAL B 34 0.693 -5.129 0.170 1.00 0.00 H new ATOM 1522 N ASN B 35 -3.085 -5.885 -3.266 1.00 0.00 N ATOM 1523 CA ASN B 35 -3.599 -6.299 -4.565 1.00 0.00 C ATOM 1524 C ASN B 35 -3.664 -5.112 -5.520 1.00 0.00 C ATOM 1525 O ASN B 35 -4.511 -4.230 -5.378 1.00 0.00 O ATOM 1526 CB ASN B 35 -4.983 -6.935 -4.417 1.00 0.00 C ATOM 1527 CG ASN B 35 -5.141 -8.180 -5.266 1.00 0.00 C ATOM 1528 OD1 ASN B 35 -4.758 -8.202 -6.435 1.00 0.00 O ATOM 1529 ND2 ASN B 35 -5.710 -9.227 -4.680 1.00 0.00 N ATOM 0 H ASN B 35 -3.798 -5.559 -2.614 1.00 0.00 H new ATOM 0 HA ASN B 35 -2.917 -7.041 -4.980 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -5.153 -7.188 -3.371 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.746 -6.208 -4.697 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -5.844 -10.093 -5.202 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -6.013 -9.165 -3.708 1.00 0.00 H new ATOM 1536 N ALA B 36 -2.756 -5.098 -6.488 1.00 0.00 N ATOM 1537 CA ALA B 36 -2.698 -4.018 -7.466 1.00 0.00 C ATOM 1538 C ALA B 36 -2.721 -4.556 -8.895 1.00 0.00 C ATOM 1539 O ALA B 36 -2.066 -5.553 -9.202 1.00 0.00 O ATOM 1540 CB ALA B 36 -1.453 -3.173 -7.242 1.00 0.00 C ATOM 0 H ALA B 36 -2.049 -5.822 -6.617 1.00 0.00 H new ATOM 0 HA ALA B 36 -3.582 -3.396 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -1.421 -2.370 -7.978 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -1.479 -2.745 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -0.566 -3.797 -7.347 1.00 0.00 H new ATOM 1546 N PRO B 37 -3.476 -3.897 -9.794 1.00 0.00 N ATOM 1547 CA PRO B 37 -3.576 -4.309 -11.194 1.00 0.00 C ATOM 1548 C PRO B 37 -2.352 -3.896 -12.003 1.00 0.00 C ATOM 1549 O PRO B 37 -1.647 -2.953 -11.642 1.00 0.00 O ATOM 1550 CB PRO B 37 -4.817 -3.567 -11.683 1.00 0.00 C ATOM 1551 CG PRO B 37 -4.856 -2.325 -10.861 1.00 0.00 C ATOM 1552 CD PRO B 37 -4.287 -2.694 -9.515 1.00 0.00 C ATOM 0 HA PRO B 37 -3.637 -5.392 -11.304 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -4.749 -3.337 -12.746 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -5.718 -4.164 -11.543 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -4.271 -1.532 -11.327 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -5.876 -1.954 -10.764 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -3.679 -1.888 -9.103 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -5.075 -2.902 -8.791 1.00 0.00 H new ATOM 1560 N LYS B 38 -2.102 -4.607 -13.097 1.00 0.00 N ATOM 1561 CA LYS B 38 -0.960 -4.311 -13.953 1.00 0.00 C ATOM 1562 C LYS B 38 -1.263 -3.165 -14.920 1.00 0.00 C ATOM 1563 O LYS B 38 -0.425 -2.809 -15.749 1.00 0.00 O ATOM 1564 CB LYS B 38 -0.553 -5.560 -14.739 1.00 0.00 C ATOM 1565 CG LYS B 38 0.951 -5.734 -14.867 1.00 0.00 C ATOM 1566 CD LYS B 38 1.312 -6.600 -16.064 1.00 0.00 C ATOM 1567 CE LYS B 38 2.741 -6.354 -16.518 1.00 0.00 C ATOM 1568 NZ LYS B 38 2.903 -5.009 -17.138 1.00 0.00 N ATOM 0 H LYS B 38 -2.674 -5.391 -13.411 1.00 0.00 H new ATOM 0 HA LYS B 38 -0.136 -4.000 -13.310 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -0.972 -6.439 -14.250 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -0.991 -5.511 -15.736 1.00 0.00 H new ATOM 0 HG2 LYS B 38 1.424 -4.757 -14.967 1.00 0.00 H new ATOM 0 HG3 LYS B 38 1.345 -6.187 -13.957 1.00 0.00 H new ATOM 0 HD2 LYS B 38 1.187 -7.651 -15.805 1.00 0.00 H new ATOM 0 HD3 LYS B 38 0.627 -6.391 -16.886 1.00 0.00 H new ATOM 0 HE2 LYS B 38 3.414 -6.444 -15.665 1.00 0.00 H new ATOM 0 HE3 LYS B 38 3.031 -7.122 -17.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 3.752 -5.004 -17.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 2.067 -4.791 -17.717 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 3.003 -4.292 -16.391 1.00 0.00 H new ATOM 1582 N GLU B 39 -2.460 -2.590 -14.816 1.00 0.00 N ATOM 1583 CA GLU B 39 -2.855 -1.490 -15.690 1.00 0.00 C ATOM 1584 C GLU B 39 -2.343 -0.153 -15.160 1.00 0.00 C ATOM 1585 O GLU B 39 -1.911 0.704 -15.931 1.00 0.00 O ATOM 1586 CB GLU B 39 -4.378 -1.446 -15.831 1.00 0.00 C ATOM 1587 CG GLU B 39 -5.101 -1.140 -14.529 1.00 0.00 C ATOM 1588 CD GLU B 39 -6.529 -1.648 -14.523 1.00 0.00 C ATOM 1589 OE1 GLU B 39 -7.288 -1.300 -15.451 1.00 0.00 O ATOM 1590 OE2 GLU B 39 -6.889 -2.395 -13.588 1.00 0.00 O ATOM 0 H GLU B 39 -3.170 -2.867 -14.138 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.409 -1.663 -16.669 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -4.644 -0.691 -16.571 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -4.727 -2.405 -16.214 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -4.555 -1.591 -13.700 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -5.102 -0.063 -14.362 1.00 0.00 H new ATOM 1597 N VAL B 40 -2.394 0.021 -13.843 1.00 0.00 N ATOM 1598 CA VAL B 40 -1.933 1.258 -13.221 1.00 0.00 C ATOM 1599 C VAL B 40 -0.435 1.204 -12.939 1.00 0.00 C ATOM 1600 O VAL B 40 0.113 0.141 -12.645 1.00 0.00 O ATOM 1601 CB VAL B 40 -2.687 1.549 -11.907 1.00 0.00 C ATOM 1602 CG1 VAL B 40 -2.382 2.957 -11.419 1.00 0.00 C ATOM 1603 CG2 VAL B 40 -4.185 1.356 -12.097 1.00 0.00 C ATOM 0 H VAL B 40 -2.748 -0.676 -13.188 1.00 0.00 H new ATOM 0 HA VAL B 40 -2.138 2.062 -13.928 1.00 0.00 H new ATOM 0 HB VAL B 40 -2.346 0.844 -11.149 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -2.922 3.145 -10.491 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -1.311 3.057 -11.242 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.694 3.679 -12.174 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -4.701 1.566 -11.160 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -4.544 2.036 -12.869 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -4.384 0.328 -12.398 1.00 0.00 H new ATOM 1613 N SER B 41 0.222 2.355 -13.036 1.00 0.00 N ATOM 1614 CA SER B 41 1.659 2.438 -12.798 1.00 0.00 C ATOM 1615 C SER B 41 1.999 2.086 -11.353 1.00 0.00 C ATOM 1616 O SER B 41 1.865 2.915 -10.453 1.00 0.00 O ATOM 1617 CB SER B 41 2.170 3.843 -13.125 1.00 0.00 C ATOM 1618 OG SER B 41 1.421 4.426 -14.177 1.00 0.00 O ATOM 0 H SER B 41 -0.217 3.243 -13.278 1.00 0.00 H new ATOM 0 HA SER B 41 2.149 1.716 -13.451 1.00 0.00 H new ATOM 0 HB2 SER B 41 2.107 4.472 -12.237 1.00 0.00 H new ATOM 0 HB3 SER B 41 3.222 3.794 -13.407 1.00 0.00 H new ATOM 0 HG SER B 41 1.354 5.393 -14.034 1.00 0.00 H new ATOM 1624 N VAL B 42 2.448 0.853 -11.140 1.00 0.00 N ATOM 1625 CA VAL B 42 2.818 0.391 -9.807 1.00 0.00 C ATOM 1626 C VAL B 42 4.271 -0.083 -9.782 1.00 0.00 C ATOM 1627 O VAL B 42 4.650 -0.978 -10.537 1.00 0.00 O ATOM 1628 CB VAL B 42 1.902 -0.755 -9.334 1.00 0.00 C ATOM 1629 CG1 VAL B 42 2.024 -1.959 -10.257 1.00 0.00 C ATOM 1630 CG2 VAL B 42 2.223 -1.139 -7.897 1.00 0.00 C ATOM 0 H VAL B 42 2.564 0.155 -11.875 1.00 0.00 H new ATOM 0 HA VAL B 42 2.700 1.236 -9.129 1.00 0.00 H new ATOM 0 HB VAL B 42 0.870 -0.405 -9.370 1.00 0.00 H new ATOM 0 HG11 VAL B 42 1.369 -2.756 -9.904 1.00 0.00 H new ATOM 0 HG12 VAL B 42 1.735 -1.673 -11.268 1.00 0.00 H new ATOM 0 HG13 VAL B 42 3.055 -2.312 -10.260 1.00 0.00 H new ATOM 0 HG21 VAL B 42 1.566 -1.949 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL B 42 3.261 -1.467 -7.831 1.00 0.00 H new ATOM 0 HG23 VAL B 42 2.073 -0.276 -7.248 1.00 0.00 H new ATOM 1640 N HIS B 43 5.081 0.520 -8.917 1.00 0.00 N ATOM 1641 CA HIS B 43 6.489 0.153 -8.806 1.00 0.00 C ATOM 1642 C HIS B 43 6.860 -0.145 -7.357 1.00 0.00 C ATOM 1643 O HIS B 43 6.470 0.586 -6.445 1.00 0.00 O ATOM 1644 CB HIS B 43 7.374 1.275 -9.351 1.00 0.00 C ATOM 1645 CG HIS B 43 7.263 1.459 -10.832 1.00 0.00 C ATOM 1646 ND1 HIS B 43 7.827 0.593 -11.744 1.00 0.00 N ATOM 1647 CD2 HIS B 43 6.645 2.418 -11.563 1.00 0.00 C ATOM 1648 CE1 HIS B 43 7.565 1.009 -12.969 1.00 0.00 C ATOM 1649 NE2 HIS B 43 6.848 2.115 -12.887 1.00 0.00 N ATOM 0 H HIS B 43 4.787 1.264 -8.284 1.00 0.00 H new ATOM 0 HA HIS B 43 6.652 -0.748 -9.397 1.00 0.00 H new ATOM 0 HB2 HIS B 43 7.108 2.209 -8.856 1.00 0.00 H new ATOM 0 HB3 HIS B 43 8.413 1.064 -9.096 1.00 0.00 H new ATOM 0 HD2 HIS B 43 6.095 3.263 -11.176 1.00 0.00 H new ATOM 0 HE1 HIS B 43 7.883 0.527 -13.882 1.00 0.00 H new ATOM 0 HE2 HIS B 43 6.501 2.656 -13.679 1.00 0.00 H new ATOM 1657 N ARG B 44 7.617 -1.217 -7.148 1.00 0.00 N ATOM 1658 CA ARG B 44 8.044 -1.605 -5.809 1.00 0.00 C ATOM 1659 C ARG B 44 9.466 -2.158 -5.841 1.00 0.00 C ATOM 1660 O ARG B 44 10.115 -2.158 -6.887 1.00 0.00 O ATOM 1661 CB ARG B 44 7.088 -2.651 -5.230 1.00 0.00 C ATOM 1662 CG ARG B 44 5.768 -2.068 -4.750 1.00 0.00 C ATOM 1663 CD ARG B 44 4.621 -2.424 -5.685 1.00 0.00 C ATOM 1664 NE ARG B 44 3.529 -3.091 -4.980 1.00 0.00 N ATOM 1665 CZ ARG B 44 2.576 -3.795 -5.586 1.00 0.00 C ATOM 1666 NH1 ARG B 44 2.578 -3.928 -6.906 1.00 0.00 N ATOM 1667 NH2 ARG B 44 1.619 -4.368 -4.870 1.00 0.00 N ATOM 0 H ARG B 44 7.948 -1.833 -7.890 1.00 0.00 H new ATOM 0 HA ARG B 44 8.028 -0.720 -5.172 1.00 0.00 H new ATOM 0 HB2 ARG B 44 6.887 -3.407 -5.989 1.00 0.00 H new ATOM 0 HB3 ARG B 44 7.577 -3.157 -4.397 1.00 0.00 H new ATOM 0 HG2 ARG B 44 5.549 -2.439 -3.749 1.00 0.00 H new ATOM 0 HG3 ARG B 44 5.854 -0.984 -4.677 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.246 -1.518 -6.160 1.00 0.00 H new ATOM 0 HD3 ARG B 44 4.989 -3.072 -6.480 1.00 0.00 H new ATOM 0 HE ARG B 44 3.495 -3.012 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG B 44 3.312 -3.490 -7.462 1.00 0.00 H new ATOM 0 HH12 ARG B 44 1.845 -4.469 -7.365 1.00 0.00 H new ATOM 0 HH21 ARG B 44 1.613 -4.269 -3.855 1.00 0.00 H new ATOM 0 HH22 ARG B 44 0.888 -4.908 -5.334 1.00 0.00 H new ATOM 1681 N GLU B 45 9.946 -2.630 -4.695 1.00 0.00 N ATOM 1682 CA GLU B 45 11.292 -3.186 -4.604 1.00 0.00 C ATOM 1683 C GLU B 45 11.471 -4.340 -5.587 1.00 0.00 C ATOM 1684 O GLU B 45 10.533 -5.091 -5.855 1.00 0.00 O ATOM 1685 CB GLU B 45 11.577 -3.662 -3.179 1.00 0.00 C ATOM 1686 CG GLU B 45 11.320 -2.602 -2.120 1.00 0.00 C ATOM 1687 CD GLU B 45 10.181 -2.969 -1.188 1.00 0.00 C ATOM 1688 OE1 GLU B 45 9.015 -2.931 -1.633 1.00 0.00 O ATOM 1689 OE2 GLU B 45 10.456 -3.294 -0.014 1.00 0.00 O ATOM 0 H GLU B 45 9.425 -2.639 -3.818 1.00 0.00 H new ATOM 0 HA GLU B 45 12.001 -2.400 -4.862 1.00 0.00 H new ATOM 0 HB2 GLU B 45 10.959 -4.534 -2.966 1.00 0.00 H new ATOM 0 HB3 GLU B 45 12.616 -3.984 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU B 45 12.228 -2.451 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.093 -1.654 -2.608 1.00 0.00 H new ATOM 1696 N GLU B 46 12.680 -4.470 -6.128 1.00 0.00 N ATOM 1697 CA GLU B 46 12.984 -5.527 -7.089 1.00 0.00 C ATOM 1698 C GLU B 46 12.551 -6.896 -6.572 1.00 0.00 C ATOM 1699 O GLU B 46 11.661 -7.529 -7.139 1.00 0.00 O ATOM 1700 CB GLU B 46 14.481 -5.540 -7.403 1.00 0.00 C ATOM 1701 CG GLU B 46 14.926 -4.393 -8.295 1.00 0.00 C ATOM 1702 CD GLU B 46 15.168 -4.827 -9.727 1.00 0.00 C ATOM 1703 OE1 GLU B 46 14.513 -5.792 -10.173 1.00 0.00 O ATOM 1704 OE2 GLU B 46 16.013 -4.203 -10.402 1.00 0.00 O ATOM 0 H GLU B 46 13.466 -3.855 -5.917 1.00 0.00 H new ATOM 0 HA GLU B 46 12.424 -5.318 -8.000 1.00 0.00 H new ATOM 0 HB2 GLU B 46 15.040 -5.500 -6.468 1.00 0.00 H new ATOM 0 HB3 GLU B 46 14.734 -6.484 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU B 46 14.167 -3.611 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU B 46 15.840 -3.958 -7.892 1.00 0.00 H new ATOM 1711 N ILE B 47 13.189 -7.350 -5.496 1.00 0.00 N ATOM 1712 CA ILE B 47 12.873 -8.647 -4.906 1.00 0.00 C ATOM 1713 C ILE B 47 11.376 -8.785 -4.634 1.00 0.00 C ATOM 1714 O ILE B 47 10.788 -9.844 -4.859 1.00 0.00 O ATOM 1715 CB ILE B 47 13.656 -8.867 -3.593 1.00 0.00 C ATOM 1716 CG1 ILE B 47 13.493 -10.312 -3.100 1.00 0.00 C ATOM 1717 CG2 ILE B 47 13.214 -7.872 -2.527 1.00 0.00 C ATOM 1718 CD1 ILE B 47 12.159 -10.599 -2.437 1.00 0.00 C ATOM 0 H ILE B 47 13.928 -6.838 -5.015 1.00 0.00 H new ATOM 0 HA ILE B 47 13.170 -9.407 -5.629 1.00 0.00 H new ATOM 0 HB ILE B 47 14.714 -8.696 -3.793 1.00 0.00 H new ATOM 0 HG12 ILE B 47 13.618 -10.988 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE B 47 14.292 -10.535 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE B 47 13.779 -8.045 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE B 47 13.396 -6.857 -2.879 1.00 0.00 H new ATOM 0 HG23 ILE B 47 12.150 -8.001 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE B 47 12.128 -11.641 -2.119 1.00 0.00 H new ATOM 0 HD12 ILE B 47 12.037 -9.951 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE B 47 11.353 -10.412 -3.146 1.00 0.00 H new ATOM 1730 N TYR B 48 10.767 -7.708 -4.146 1.00 0.00 N ATOM 1731 CA TYR B 48 9.339 -7.703 -3.837 1.00 0.00 C ATOM 1732 C TYR B 48 8.520 -8.306 -4.976 1.00 0.00 C ATOM 1733 O TYR B 48 7.925 -9.373 -4.827 1.00 0.00 O ATOM 1734 CB TYR B 48 8.865 -6.276 -3.556 1.00 0.00 C ATOM 1735 CG TYR B 48 7.454 -6.198 -3.016 1.00 0.00 C ATOM 1736 CD1 TYR B 48 6.365 -6.527 -3.814 1.00 0.00 C ATOM 1737 CD2 TYR B 48 7.213 -5.795 -1.709 1.00 0.00 C ATOM 1738 CE1 TYR B 48 5.075 -6.456 -3.324 1.00 0.00 C ATOM 1739 CE2 TYR B 48 5.926 -5.722 -1.212 1.00 0.00 C ATOM 1740 CZ TYR B 48 4.861 -6.054 -2.022 1.00 0.00 C ATOM 1741 OH TYR B 48 3.578 -5.982 -1.530 1.00 0.00 O ATOM 0 H TYR B 48 11.241 -6.825 -3.955 1.00 0.00 H new ATOM 0 HA TYR B 48 9.188 -8.317 -2.949 1.00 0.00 H new ATOM 0 HB2 TYR B 48 9.544 -5.811 -2.841 1.00 0.00 H new ATOM 0 HB3 TYR B 48 8.925 -5.695 -4.476 1.00 0.00 H new ATOM 0 HD1 TYR B 48 6.530 -6.843 -4.833 1.00 0.00 H new ATOM 0 HD2 TYR B 48 8.045 -5.535 -1.071 1.00 0.00 H new ATOM 0 HE1 TYR B 48 4.239 -6.714 -3.957 1.00 0.00 H new ATOM 0 HE2 TYR B 48 5.755 -5.406 -0.193 1.00 0.00 H new ATOM 0 HH TYR B 48 3.070 -6.767 -1.825 1.00 0.00 H new ATOM 1751 N GLN B 49 8.488 -7.613 -6.109 1.00 0.00 N ATOM 1752 CA GLN B 49 7.735 -8.077 -7.269 1.00 0.00 C ATOM 1753 C GLN B 49 8.405 -9.280 -7.931 1.00 0.00 C ATOM 1754 O GLN B 49 7.756 -10.044 -8.644 1.00 0.00 O ATOM 1755 CB GLN B 49 7.587 -6.943 -8.285 1.00 0.00 C ATOM 1756 CG GLN B 49 6.358 -6.078 -8.057 1.00 0.00 C ATOM 1757 CD GLN B 49 6.241 -4.954 -9.068 1.00 0.00 C ATOM 1758 OE1 GLN B 49 7.133 -4.113 -9.185 1.00 0.00 O ATOM 1759 NE2 GLN B 49 5.138 -4.935 -9.806 1.00 0.00 N ATOM 0 H GLN B 49 8.975 -6.728 -6.249 1.00 0.00 H new ATOM 0 HA GLN B 49 6.750 -8.389 -6.922 1.00 0.00 H new ATOM 0 HB2 GLN B 49 8.476 -6.314 -8.247 1.00 0.00 H new ATOM 0 HB3 GLN B 49 7.541 -7.368 -9.288 1.00 0.00 H new ATOM 0 HG2 GLN B 49 5.465 -6.701 -8.107 1.00 0.00 H new ATOM 0 HG3 GLN B 49 6.396 -5.656 -7.053 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.425 -5.652 -9.675 1.00 0.00 H new ATOM 0 HE22 GLN B 49 5.004 -4.203 -10.504 1.00 0.00 H new ATOM 1768 N ARG B 50 9.704 -9.442 -7.696 1.00 0.00 N ATOM 1769 CA ARG B 50 10.452 -10.549 -8.278 1.00 0.00 C ATOM 1770 C ARG B 50 10.060 -11.885 -7.648 1.00 0.00 C ATOM 1771 O ARG B 50 10.363 -12.947 -8.191 1.00 0.00 O ATOM 1772 CB ARG B 50 11.956 -10.318 -8.114 1.00 0.00 C ATOM 1773 CG ARG B 50 12.600 -9.634 -9.308 1.00 0.00 C ATOM 1774 CD ARG B 50 14.061 -9.309 -9.044 1.00 0.00 C ATOM 1775 NE ARG B 50 14.757 -8.895 -10.259 1.00 0.00 N ATOM 1776 CZ ARG B 50 15.908 -8.227 -10.263 1.00 0.00 C ATOM 1777 NH1 ARG B 50 16.498 -7.900 -9.120 1.00 0.00 N ATOM 1778 NH2 ARG B 50 16.472 -7.886 -11.414 1.00 0.00 N ATOM 0 H ARG B 50 10.259 -8.821 -7.107 1.00 0.00 H new ATOM 0 HA ARG B 50 10.206 -10.591 -9.339 1.00 0.00 H new ATOM 0 HB2 ARG B 50 12.127 -9.713 -7.223 1.00 0.00 H new ATOM 0 HB3 ARG B 50 12.446 -11.277 -7.947 1.00 0.00 H new ATOM 0 HG2 ARG B 50 12.522 -10.279 -10.183 1.00 0.00 H new ATOM 0 HG3 ARG B 50 12.058 -8.717 -9.539 1.00 0.00 H new ATOM 0 HD2 ARG B 50 14.127 -8.515 -8.300 1.00 0.00 H new ATOM 0 HD3 ARG B 50 14.557 -10.183 -8.622 1.00 0.00 H new ATOM 0 HE ARG B 50 14.336 -9.132 -11.158 1.00 0.00 H new ATOM 0 HH11 ARG B 50 16.069 -8.161 -8.232 1.00 0.00 H new ATOM 0 HH12 ARG B 50 17.380 -7.388 -9.130 1.00 0.00 H new ATOM 0 HH21 ARG B 50 16.024 -8.136 -12.295 1.00 0.00 H new ATOM 0 HH22 ARG B 50 17.354 -7.374 -11.418 1.00 0.00 H new ATOM 1792 N ILE B 51 9.393 -11.830 -6.499 1.00 0.00 N ATOM 1793 CA ILE B 51 8.972 -13.042 -5.807 1.00 0.00 C ATOM 1794 C ILE B 51 7.451 -13.192 -5.815 1.00 0.00 C ATOM 1795 O ILE B 51 6.930 -14.302 -5.707 1.00 0.00 O ATOM 1796 CB ILE B 51 9.476 -13.060 -4.348 1.00 0.00 C ATOM 1797 CG1 ILE B 51 9.129 -14.394 -3.681 1.00 0.00 C ATOM 1798 CG2 ILE B 51 8.887 -11.897 -3.562 1.00 0.00 C ATOM 1799 CD1 ILE B 51 10.106 -14.799 -2.598 1.00 0.00 C ATOM 0 H ILE B 51 9.134 -10.962 -6.030 1.00 0.00 H new ATOM 0 HA ILE B 51 9.413 -13.880 -6.347 1.00 0.00 H new ATOM 0 HB ILE B 51 10.560 -12.950 -4.356 1.00 0.00 H new ATOM 0 HG12 ILE B 51 8.129 -14.327 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE B 51 9.098 -15.174 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE B 51 9.255 -11.928 -2.536 1.00 0.00 H new ATOM 0 HG22 ILE B 51 9.184 -10.957 -4.026 1.00 0.00 H new ATOM 0 HG23 ILE B 51 7.800 -11.973 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE B 51 9.799 -15.753 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE B 51 11.103 -14.898 -3.026 1.00 0.00 H new ATOM 0 HD13 ILE B 51 10.120 -14.038 -1.818 1.00 0.00 H new ATOM 1811 N GLN B 52 6.745 -12.072 -5.937 1.00 0.00 N ATOM 1812 CA GLN B 52 5.287 -12.090 -5.950 1.00 0.00 C ATOM 1813 C GLN B 52 4.743 -11.826 -7.352 1.00 0.00 C ATOM 1814 O GLN B 52 3.972 -12.621 -7.889 1.00 0.00 O ATOM 1815 CB GLN B 52 4.738 -11.049 -4.970 1.00 0.00 C ATOM 1816 CG GLN B 52 3.953 -11.655 -3.817 1.00 0.00 C ATOM 1817 CD GLN B 52 4.734 -12.723 -3.077 1.00 0.00 C ATOM 1818 OE1 GLN B 52 5.965 -12.700 -3.047 1.00 0.00 O ATOM 1819 NE2 GLN B 52 4.021 -13.667 -2.475 1.00 0.00 N ATOM 0 H GLN B 52 7.158 -11.144 -6.028 1.00 0.00 H new ATOM 0 HA GLN B 52 4.960 -13.083 -5.641 1.00 0.00 H new ATOM 0 HB2 GLN B 52 5.568 -10.467 -4.568 1.00 0.00 H new ATOM 0 HB3 GLN B 52 4.095 -10.355 -5.512 1.00 0.00 H new ATOM 0 HG2 GLN B 52 3.673 -10.866 -3.119 1.00 0.00 H new ATOM 0 HG3 GLN B 52 3.028 -12.086 -4.199 1.00 0.00 H new ATOM 0 HE21 GLN B 52 3.002 -13.647 -2.526 1.00 0.00 H new ATOM 0 HE22 GLN B 52 4.492 -14.412 -1.962 1.00 0.00 H new ATOM 1828 N ALA B 53 5.145 -10.703 -7.938 1.00 0.00 N ATOM 1829 CA ALA B 53 4.694 -10.336 -9.273 1.00 0.00 C ATOM 1830 C ALA B 53 5.200 -11.325 -10.316 1.00 0.00 C ATOM 1831 O ALA B 53 4.429 -12.110 -10.867 1.00 0.00 O ATOM 1832 CB ALA B 53 5.147 -8.925 -9.615 1.00 0.00 C ATOM 0 H ALA B 53 5.782 -10.032 -7.508 1.00 0.00 H new ATOM 0 HA ALA B 53 3.604 -10.367 -9.282 1.00 0.00 H new ATOM 0 HB1 ALA B 53 4.802 -8.665 -10.616 1.00 0.00 H new ATOM 0 HB2 ALA B 53 4.728 -8.224 -8.893 1.00 0.00 H new ATOM 0 HB3 ALA B 53 6.235 -8.874 -9.581 1.00 0.00 H new ATOM 1838 N GLU B 54 6.501 -11.282 -10.581 1.00 0.00 N ATOM 1839 CA GLU B 54 7.111 -12.177 -11.556 1.00 0.00 C ATOM 1840 C GLU B 54 7.967 -13.232 -10.863 1.00 0.00 C ATOM 1841 O GLU B 54 8.957 -12.909 -10.208 1.00 0.00 O ATOM 1842 CB GLU B 54 7.966 -11.382 -12.545 1.00 0.00 C ATOM 1843 CG GLU B 54 7.971 -11.963 -13.950 1.00 0.00 C ATOM 1844 CD GLU B 54 6.590 -11.985 -14.575 1.00 0.00 C ATOM 1845 OE1 GLU B 54 5.985 -10.902 -14.717 1.00 0.00 O ATOM 1846 OE2 GLU B 54 6.114 -13.086 -14.923 1.00 0.00 O ATOM 0 H GLU B 54 7.153 -10.637 -10.134 1.00 0.00 H new ATOM 0 HA GLU B 54 6.312 -12.681 -12.100 1.00 0.00 H new ATOM 0 HB2 GLU B 54 7.600 -10.356 -12.586 1.00 0.00 H new ATOM 0 HB3 GLU B 54 8.990 -11.340 -12.175 1.00 0.00 H new ATOM 0 HG2 GLU B 54 8.642 -11.378 -14.579 1.00 0.00 H new ATOM 0 HG3 GLU B 54 8.368 -12.978 -13.919 1.00 0.00 H new ATOM 1853 N LYS B 55 7.580 -14.493 -11.014 1.00 0.00 N ATOM 1854 CA LYS B 55 8.314 -15.597 -10.404 1.00 0.00 C ATOM 1855 C LYS B 55 9.776 -15.584 -10.842 1.00 0.00 C ATOM 1856 O LYS B 55 10.101 -15.973 -11.963 1.00 0.00 O ATOM 1857 CB LYS B 55 7.667 -16.933 -10.775 1.00 0.00 C ATOM 1858 CG LYS B 55 6.779 -17.504 -9.680 1.00 0.00 C ATOM 1859 CD LYS B 55 5.548 -16.642 -9.455 1.00 0.00 C ATOM 1860 CE LYS B 55 4.357 -17.152 -10.251 1.00 0.00 C ATOM 1861 NZ LYS B 55 3.098 -16.449 -9.880 1.00 0.00 N ATOM 0 H LYS B 55 6.762 -14.777 -11.553 1.00 0.00 H new ATOM 0 HA LYS B 55 8.277 -15.473 -9.322 1.00 0.00 H new ATOM 0 HB2 LYS B 55 7.074 -16.801 -11.680 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.450 -17.654 -11.009 1.00 0.00 H new ATOM 0 HG2 LYS B 55 6.472 -18.515 -9.949 1.00 0.00 H new ATOM 0 HG3 LYS B 55 7.346 -17.579 -8.752 1.00 0.00 H new ATOM 0 HD2 LYS B 55 5.300 -16.631 -8.394 1.00 0.00 H new ATOM 0 HD3 LYS B 55 5.765 -15.613 -9.742 1.00 0.00 H new ATOM 0 HE2 LYS B 55 4.548 -17.017 -11.316 1.00 0.00 H new ATOM 0 HE3 LYS B 55 4.239 -18.222 -10.081 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 2.310 -16.826 -10.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 2.902 -16.598 -8.870 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 3.201 -15.431 -10.066 1.00 0.00 H new