USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 677 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 18 SER OG : rot -137:sc= 1.77 USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 1.02 USER MOD Set 1.3: A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 GLN : amide:sc= -1.04 K(o=-0.86,f=0.19) USER MOD Set 2.2: A 32 TYR OH : rot -107:sc= 0.186 USER MOD Single : A 1 ASN : amide:sc= -0.123 K(o=-0.12,f=-3!) USER MOD Single : A 1 ASN N :NH3+ -159:sc= 1.15 (180deg=1.11) USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00792 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.306 K(o=0.31,f=-5.7!) USER MOD Single : A 9 MET CE :methyl -167:sc= -0.0112 (180deg=-0.206) USER MOD Single : A 12 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.23) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= -2.28! USER MOD Single : A 24 ASN : amide:sc= -0.0937 X(o=-0.094,f=-0.48) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0664) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.35) USER MOD Single : A 58 ASN : amide:sc= 0.969 K(o=0.97,f=-10!) USER MOD Single : A 61 ASN : amide:sc= -0.652 K(o=-0.65,f=-5.5!) USER MOD Single : A 64 ASN : amide:sc= -0.0459 K(o=-0.046,f=-1.6!) USER MOD Single : A 65 MET CE :methyl 151:sc= -0.439 (180deg=-1.07) USER MOD Single : A 66 SER OG : rot -124:sc= -0.393 USER MOD Single : A 67 ASN : amide:sc= 0.838 K(o=0.84,f=-4!) USER MOD Single : A 79 SER OG : rot 93:sc= 1.24 USER MOD Single : A 80 GLN : amide:sc= 0.197 X(o=0.2,f=-0.25) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00444 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 80:sc= 0.212 USER MOD Single : A 90 LYS NZ :NH3+ 166:sc= 1.65 (180deg=0.781) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 4.830 13.005 7.974 1.00 0.00 N ATOM 2 CA ASN A 1 3.481 12.774 8.539 1.00 0.00 C ATOM 3 C ASN A 1 3.032 11.348 8.260 1.00 0.00 C ATOM 4 O ASN A 1 2.829 10.971 7.105 1.00 0.00 O ATOM 5 CB ASN A 1 2.470 13.757 7.937 1.00 0.00 C ATOM 6 CG ASN A 1 1.189 13.853 8.750 1.00 0.00 C ATOM 7 OD1 ASN A 1 0.819 12.927 9.471 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.494 14.974 8.629 1.00 0.00 N ATOM 0 H1 ASN A 1 5.272 13.816 8.452 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.416 12.158 8.117 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.751 13.204 6.956 1.00 0.00 H new ATOM 0 HA ASN A 1 3.530 12.932 9.616 1.00 0.00 H new ATOM 0 HB2 ASN A 1 2.926 14.744 7.868 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.228 13.446 6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.379 15.091 9.143 1.00 0.00 H new ATOM 0 HD22 ASN A 1 0.832 15.721 8.022 1.00 0.00 H new ATOM 17 N ILE A 2 2.888 10.556 9.312 1.00 0.00 N ATOM 18 CA ILE A 2 2.459 9.170 9.172 1.00 0.00 C ATOM 19 C ILE A 2 0.948 9.060 9.361 1.00 0.00 C ATOM 20 O ILE A 2 0.430 9.317 10.447 1.00 0.00 O ATOM 21 CB ILE A 2 3.182 8.254 10.184 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.693 8.302 9.947 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.678 6.825 10.066 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.504 7.683 11.064 1.00 0.00 C ATOM 0 H ILE A 2 3.062 10.849 10.274 1.00 0.00 H new ATOM 0 HA ILE A 2 2.720 8.841 8.166 1.00 0.00 H new ATOM 0 HB ILE A 2 2.969 8.612 11.191 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.922 7.786 9.015 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.999 9.340 9.820 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.199 6.195 10.787 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.607 6.799 10.268 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.866 6.455 9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.565 7.754 10.826 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.305 8.213 11.995 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.227 6.635 11.177 1.00 0.00 H new ATOM 36 N ILE A 3 0.250 8.686 8.301 1.00 0.00 N ATOM 37 CA ILE A 3 -1.200 8.559 8.344 1.00 0.00 C ATOM 38 C ILE A 3 -1.623 7.110 8.134 1.00 0.00 C ATOM 39 O ILE A 3 -1.142 6.438 7.223 1.00 0.00 O ATOM 40 CB ILE A 3 -1.878 9.447 7.273 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.501 10.920 7.483 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.392 9.269 7.302 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.171 11.865 6.507 1.00 0.00 C ATOM 0 H ILE A 3 0.665 8.464 7.396 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.522 8.892 9.331 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.520 9.135 6.292 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.767 11.213 8.499 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.420 11.026 7.393 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.847 9.903 6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.640 8.227 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.773 9.550 8.284 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.857 12.887 6.717 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.886 11.599 5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.253 11.789 6.612 1.00 0.00 H new ATOM 55 N THR A 4 -2.514 6.636 8.988 1.00 0.00 N ATOM 56 CA THR A 4 -3.015 5.276 8.898 1.00 0.00 C ATOM 57 C THR A 4 -4.460 5.286 8.409 1.00 0.00 C ATOM 58 O THR A 4 -5.356 5.774 9.100 1.00 0.00 O ATOM 59 CB THR A 4 -2.926 4.563 10.259 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.725 4.966 10.934 1.00 0.00 O ATOM 61 CG2 THR A 4 -2.925 3.051 10.079 1.00 0.00 C ATOM 0 H THR A 4 -2.908 7.178 9.757 1.00 0.00 H new ATOM 0 HA THR A 4 -2.396 4.730 8.186 1.00 0.00 H new ATOM 0 HB THR A 4 -3.796 4.841 10.853 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.670 4.513 11.801 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.861 2.569 11.054 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.845 2.743 9.581 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.068 2.757 9.472 1.00 0.00 H new ATOM 69 N VAL A 5 -4.683 4.774 7.209 1.00 0.00 N ATOM 70 CA VAL A 5 -6.020 4.751 6.635 1.00 0.00 C ATOM 71 C VAL A 5 -6.635 3.356 6.692 1.00 0.00 C ATOM 72 O VAL A 5 -5.974 2.354 6.408 1.00 0.00 O ATOM 73 CB VAL A 5 -6.025 5.255 5.170 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.535 6.690 5.094 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.178 4.362 4.278 1.00 0.00 C ATOM 0 H VAL A 5 -3.959 4.370 6.615 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.624 5.427 7.241 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.053 5.217 4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.547 7.024 4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.188 7.329 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.518 6.748 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.201 4.741 3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.150 4.357 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.575 3.347 4.297 1.00 0.00 H new ATOM 85 N THR A 6 -7.892 3.301 7.090 1.00 0.00 N ATOM 86 CA THR A 6 -8.617 2.046 7.158 1.00 0.00 C ATOM 87 C THR A 6 -9.606 1.990 5.990 1.00 0.00 C ATOM 88 O THR A 6 -10.468 2.858 5.845 1.00 0.00 O ATOM 89 CB THR A 6 -9.334 1.871 8.524 1.00 0.00 C ATOM 90 OG1 THR A 6 -10.093 0.657 8.538 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.245 3.048 8.836 1.00 0.00 C ATOM 0 H THR A 6 -8.435 4.117 7.373 1.00 0.00 H new ATOM 0 HA THR A 6 -7.913 1.218 7.077 1.00 0.00 H new ATOM 0 HB THR A 6 -8.562 1.826 9.293 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.538 0.559 9.406 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.729 2.888 9.800 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.656 3.964 8.873 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.004 3.136 8.059 1.00 0.00 H new ATOM 99 N LEU A 7 -9.463 0.987 5.140 1.00 0.00 N ATOM 100 CA LEU A 7 -10.315 0.871 3.969 1.00 0.00 C ATOM 101 C LEU A 7 -11.400 -0.180 4.141 1.00 0.00 C ATOM 102 O LEU A 7 -11.245 -1.148 4.891 1.00 0.00 O ATOM 103 CB LEU A 7 -9.465 0.546 2.741 1.00 0.00 C ATOM 104 CG LEU A 7 -8.354 1.554 2.438 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.537 1.093 1.247 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.932 2.939 2.187 1.00 0.00 C ATOM 0 H LEU A 7 -8.769 0.246 5.238 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.814 1.830 3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.015 -0.437 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.120 0.478 1.872 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.699 1.615 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.750 1.819 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.088 0.124 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.184 1.004 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.123 3.638 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.612 2.901 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.476 3.272 3.071 1.00 0.00 H new ATOM 118 N ASN A 8 -12.499 0.035 3.434 1.00 0.00 N ATOM 119 CA ASN A 8 -13.640 -0.869 3.461 1.00 0.00 C ATOM 120 C ASN A 8 -13.621 -1.752 2.218 1.00 0.00 C ATOM 121 O ASN A 8 -13.860 -1.277 1.104 1.00 0.00 O ATOM 122 CB ASN A 8 -14.939 -0.057 3.521 1.00 0.00 C ATOM 123 CG ASN A 8 -16.180 -0.929 3.555 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.639 -1.425 2.523 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.743 -1.106 4.739 1.00 0.00 N ATOM 0 H ASN A 8 -12.626 0.843 2.824 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.583 -1.505 4.345 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.924 0.579 4.406 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.989 0.603 2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.589 -1.670 4.822 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.331 -0.678 5.568 1.00 0.00 H new ATOM 132 N MET A 9 -13.346 -3.033 2.410 1.00 0.00 N ATOM 133 CA MET A 9 -13.273 -3.973 1.298 1.00 0.00 C ATOM 134 C MET A 9 -14.602 -4.680 1.079 1.00 0.00 C ATOM 135 O MET A 9 -14.680 -5.659 0.339 1.00 0.00 O ATOM 136 CB MET A 9 -12.166 -5.001 1.539 1.00 0.00 C ATOM 137 CG MET A 9 -10.771 -4.396 1.569 1.00 0.00 C ATOM 138 SD MET A 9 -10.369 -3.508 0.051 1.00 0.00 S ATOM 139 CE MET A 9 -10.281 -4.860 -1.125 1.00 0.00 C ATOM 0 H MET A 9 -13.169 -3.447 3.325 1.00 0.00 H new ATOM 0 HA MET A 9 -13.041 -3.403 0.398 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.353 -5.509 2.485 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.208 -5.758 0.756 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.692 -3.715 2.416 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.039 -5.188 1.728 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.820 -4.510 -2.048 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.683 -5.669 -0.705 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.286 -5.224 -1.337 1.00 0.00 H new ATOM 149 N GLU A 10 -15.644 -4.196 1.736 1.00 0.00 N ATOM 150 CA GLU A 10 -16.968 -4.784 1.590 1.00 0.00 C ATOM 151 C GLU A 10 -17.581 -4.336 0.272 1.00 0.00 C ATOM 152 O GLU A 10 -17.955 -5.151 -0.570 1.00 0.00 O ATOM 153 CB GLU A 10 -17.879 -4.377 2.752 1.00 0.00 C ATOM 154 CG GLU A 10 -17.232 -4.514 4.122 1.00 0.00 C ATOM 155 CD GLU A 10 -16.778 -5.929 4.415 1.00 0.00 C ATOM 156 OE1 GLU A 10 -17.602 -6.735 4.887 1.00 0.00 O ATOM 157 OE2 GLU A 10 -15.595 -6.238 4.174 1.00 0.00 O ATOM 0 H GLU A 10 -15.600 -3.401 2.373 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.868 -5.869 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -18.191 -3.342 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.781 -4.988 2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.376 -3.842 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.941 -4.198 4.887 1.00 0.00 H new ATOM 164 N ARG A 11 -17.663 -3.026 0.101 1.00 0.00 N ATOM 165 CA ARG A 11 -18.221 -2.441 -1.108 1.00 0.00 C ATOM 166 C ARG A 11 -17.176 -2.402 -2.218 1.00 0.00 C ATOM 167 O ARG A 11 -17.489 -2.610 -3.391 1.00 0.00 O ATOM 168 CB ARG A 11 -18.736 -1.026 -0.811 1.00 0.00 C ATOM 169 CG ARG A 11 -18.826 -0.125 -2.036 1.00 0.00 C ATOM 170 CD ARG A 11 -19.180 1.298 -1.650 1.00 0.00 C ATOM 171 NE ARG A 11 -18.635 2.274 -2.591 1.00 0.00 N ATOM 172 CZ ARG A 11 -18.744 3.593 -2.440 1.00 0.00 C ATOM 173 NH1 ARG A 11 -19.398 4.094 -1.400 1.00 0.00 N ATOM 174 NH2 ARG A 11 -18.207 4.412 -3.338 1.00 0.00 N ATOM 0 H ARG A 11 -17.348 -2.343 0.790 1.00 0.00 H new ATOM 0 HA ARG A 11 -19.053 -3.060 -1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.723 -1.099 -0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -18.079 -0.559 -0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.874 -0.134 -2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.577 -0.515 -2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.264 1.403 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.800 1.507 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 11 -18.142 1.924 -3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.819 3.469 -0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -19.480 5.104 -1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.711 4.031 -4.144 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -18.291 5.422 -3.222 1.00 0.00 H new ATOM 188 N HIS A 12 -15.931 -2.147 -1.839 1.00 0.00 N ATOM 189 CA HIS A 12 -14.840 -2.065 -2.799 1.00 0.00 C ATOM 190 C HIS A 12 -14.256 -3.439 -3.073 1.00 0.00 C ATOM 191 O HIS A 12 -14.382 -4.354 -2.260 1.00 0.00 O ATOM 192 CB HIS A 12 -13.752 -1.118 -2.290 1.00 0.00 C ATOM 193 CG HIS A 12 -14.134 0.321 -2.397 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.436 1.104 -1.305 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.275 1.117 -3.479 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.751 2.316 -1.714 1.00 0.00 C ATOM 197 NE2 HIS A 12 -14.666 2.351 -3.031 1.00 0.00 N ATOM 0 H HIS A 12 -15.651 -1.993 -0.870 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.239 -1.671 -3.734 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.532 -1.353 -1.249 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.836 -1.288 -2.856 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.110 0.833 -4.508 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -15.032 3.143 -1.078 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -14.859 3.163 -3.618 1.00 0.00 H new ATOM 206 N HIS A 13 -13.620 -3.574 -4.227 1.00 0.00 N ATOM 207 CA HIS A 13 -13.010 -4.838 -4.627 1.00 0.00 C ATOM 208 C HIS A 13 -11.502 -4.678 -4.763 1.00 0.00 C ATOM 209 O HIS A 13 -10.740 -5.615 -4.516 1.00 0.00 O ATOM 210 CB HIS A 13 -13.601 -5.343 -5.951 1.00 0.00 C ATOM 211 CG HIS A 13 -15.099 -5.353 -5.986 1.00 0.00 C ATOM 212 ND1 HIS A 13 -15.874 -6.216 -5.236 1.00 0.00 N ATOM 213 CD2 HIS A 13 -15.963 -4.598 -6.699 1.00 0.00 C ATOM 214 CE1 HIS A 13 -17.149 -5.979 -5.482 1.00 0.00 C ATOM 215 NE2 HIS A 13 -17.228 -5.002 -6.367 1.00 0.00 N ATOM 0 H HIS A 13 -13.511 -2.822 -4.907 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.225 -5.573 -3.851 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.233 -4.716 -6.764 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -13.237 -6.353 -6.138 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.704 -3.820 -7.401 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.985 -6.496 -5.035 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -18.092 -4.611 -6.743 1.00 0.00 H new ATOM 224 N PHE A 14 -11.074 -3.482 -5.148 1.00 0.00 N ATOM 225 CA PHE A 14 -9.662 -3.194 -5.319 1.00 0.00 C ATOM 226 C PHE A 14 -9.310 -1.879 -4.631 1.00 0.00 C ATOM 227 O PHE A 14 -10.194 -1.077 -4.325 1.00 0.00 O ATOM 228 CB PHE A 14 -9.286 -3.146 -6.808 1.00 0.00 C ATOM 229 CG PHE A 14 -10.152 -2.243 -7.648 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.338 -2.709 -8.197 1.00 0.00 C ATOM 231 CD2 PHE A 14 -9.774 -0.932 -7.903 1.00 0.00 C ATOM 232 CE1 PHE A 14 -12.129 -1.885 -8.976 1.00 0.00 C ATOM 233 CE2 PHE A 14 -10.560 -0.106 -8.683 1.00 0.00 C ATOM 234 CZ PHE A 14 -11.739 -0.585 -9.221 1.00 0.00 C ATOM 0 H PHE A 14 -11.691 -2.695 -5.348 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.087 -3.997 -4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.250 -2.819 -6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.337 -4.156 -7.214 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.647 -3.727 -8.014 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.853 -0.553 -7.486 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -13.052 -2.259 -9.393 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.253 0.912 -8.872 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.355 0.058 -9.833 1.00 0.00 H new ATOM 244 N LEU A 15 -8.025 -1.661 -4.390 1.00 0.00 N ATOM 245 CA LEU A 15 -7.568 -0.447 -3.723 1.00 0.00 C ATOM 246 C LEU A 15 -7.382 0.689 -4.724 1.00 0.00 C ATOM 247 O LEU A 15 -7.670 1.846 -4.421 1.00 0.00 O ATOM 248 CB LEU A 15 -6.253 -0.711 -2.985 1.00 0.00 C ATOM 249 CG LEU A 15 -6.242 -1.936 -2.070 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.880 -2.090 -1.410 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.329 -1.816 -1.016 1.00 0.00 C ATOM 0 H LEU A 15 -7.279 -2.308 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.330 -0.150 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.459 -0.825 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.010 0.168 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.438 -2.823 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.887 -2.966 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.116 -2.213 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.660 -1.202 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.310 -2.695 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.157 -0.922 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.302 -1.744 -1.503 1.00 0.00 H new ATOM 263 N GLY A 16 -6.923 0.338 -5.921 1.00 0.00 N ATOM 264 CA GLY A 16 -6.685 1.323 -6.958 1.00 0.00 C ATOM 265 C GLY A 16 -5.436 2.145 -6.698 1.00 0.00 C ATOM 266 O GLY A 16 -5.485 3.370 -6.730 1.00 0.00 O ATOM 0 H GLY A 16 -6.710 -0.622 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.591 0.819 -7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.546 1.988 -7.029 1.00 0.00 H new ATOM 270 N ILE A 17 -4.318 1.469 -6.443 1.00 0.00 N ATOM 271 CA ILE A 17 -3.046 2.150 -6.162 1.00 0.00 C ATOM 272 C ILE A 17 -1.867 1.279 -6.573 1.00 0.00 C ATOM 273 O ILE A 17 -1.558 0.293 -5.907 1.00 0.00 O ATOM 274 CB ILE A 17 -2.882 2.503 -4.665 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.490 1.413 -3.776 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.493 3.860 -4.356 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.889 1.368 -2.389 1.00 0.00 C ATOM 0 H ILE A 17 -4.262 0.451 -6.424 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.063 3.073 -6.741 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.815 2.558 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.564 1.578 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.352 0.444 -4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.364 4.084 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.998 4.626 -4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.556 3.844 -4.597 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.364 0.575 -1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.819 1.173 -2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.050 2.324 -1.892 1.00 0.00 H new ATOM 289 N SER A 18 -1.212 1.626 -7.673 1.00 0.00 N ATOM 290 CA SER A 18 -0.084 0.831 -8.138 1.00 0.00 C ATOM 291 C SER A 18 1.139 1.065 -7.259 1.00 0.00 C ATOM 292 O SER A 18 1.509 2.205 -6.965 1.00 0.00 O ATOM 293 CB SER A 18 0.221 1.112 -9.614 1.00 0.00 C ATOM 294 OG SER A 18 0.803 2.394 -9.788 1.00 0.00 O ATOM 0 H SER A 18 -1.436 2.437 -8.250 1.00 0.00 H new ATOM 0 HA SER A 18 -0.354 -0.222 -8.058 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.897 0.349 -9.999 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.698 1.046 -10.196 1.00 0.00 H new ATOM 0 HG SER A 18 0.403 2.832 -10.568 1.00 0.00 H new ATOM 300 N ILE A 19 1.733 -0.030 -6.810 1.00 0.00 N ATOM 301 CA ILE A 19 2.902 0.031 -5.945 1.00 0.00 C ATOM 302 C ILE A 19 4.184 0.154 -6.760 1.00 0.00 C ATOM 303 O ILE A 19 4.446 -0.657 -7.650 1.00 0.00 O ATOM 304 CB ILE A 19 3.001 -1.219 -5.043 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.615 -1.628 -4.519 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.954 -0.955 -3.887 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.920 -0.554 -3.713 1.00 0.00 C ATOM 0 H ILE A 19 1.423 -0.976 -7.032 1.00 0.00 H new ATOM 0 HA ILE A 19 2.785 0.916 -5.319 1.00 0.00 H new ATOM 0 HB ILE A 19 3.392 -2.044 -5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.983 -1.899 -5.365 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.720 -2.520 -3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.017 -1.842 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.943 -0.717 -4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.586 -0.116 -3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.051 -0.920 -3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.529 -0.299 -2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.781 0.332 -4.332 1.00 0.00 H new ATOM 319 N VAL A 20 4.968 1.177 -6.456 1.00 0.00 N ATOM 320 CA VAL A 20 6.230 1.418 -7.135 1.00 0.00 C ATOM 321 C VAL A 20 7.395 1.087 -6.207 1.00 0.00 C ATOM 322 O VAL A 20 7.462 1.586 -5.082 1.00 0.00 O ATOM 323 CB VAL A 20 6.347 2.888 -7.598 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.734 3.180 -8.157 1.00 0.00 C ATOM 325 CG2 VAL A 20 5.281 3.200 -8.634 1.00 0.00 C ATOM 0 H VAL A 20 4.747 1.862 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 20 6.263 0.774 -8.014 1.00 0.00 H new ATOM 0 HB VAL A 20 6.193 3.529 -6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.786 4.221 -8.475 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.483 2.998 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.926 2.530 -9.011 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.375 4.239 -8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.408 2.544 -9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.294 3.041 -8.200 1.00 0.00 H new ATOM 335 N GLY A 21 8.293 0.231 -6.672 1.00 0.00 N ATOM 336 CA GLY A 21 9.442 -0.145 -5.875 1.00 0.00 C ATOM 337 C GLY A 21 10.656 0.684 -6.224 1.00 0.00 C ATOM 338 O GLY A 21 11.167 0.602 -7.341 1.00 0.00 O ATOM 0 H GLY A 21 8.246 -0.211 -7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.208 -0.022 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.664 -1.201 -6.031 1.00 0.00 H new ATOM 342 N GLN A 22 11.112 1.494 -5.279 1.00 0.00 N ATOM 343 CA GLN A 22 12.270 2.348 -5.496 1.00 0.00 C ATOM 344 C GLN A 22 13.550 1.587 -5.164 1.00 0.00 C ATOM 345 O GLN A 22 13.675 1.018 -4.078 1.00 0.00 O ATOM 346 CB GLN A 22 12.170 3.611 -4.635 1.00 0.00 C ATOM 347 CG GLN A 22 13.156 4.696 -5.039 1.00 0.00 C ATOM 348 CD GLN A 22 13.101 5.920 -4.146 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.279 7.047 -4.607 1.00 0.00 O ATOM 350 NE2 GLN A 22 12.872 5.709 -2.863 1.00 0.00 N ATOM 0 H GLN A 22 10.696 1.577 -4.352 1.00 0.00 H new ATOM 0 HA GLN A 22 12.295 2.643 -6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.157 4.008 -4.701 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.341 3.345 -3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.166 4.285 -5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.954 4.996 -6.067 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.729 4.759 -2.520 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.838 6.496 -2.215 1.00 0.00 H new ATOM 359 N SER A 23 14.496 1.575 -6.091 1.00 0.00 N ATOM 360 CA SER A 23 15.755 0.875 -5.884 1.00 0.00 C ATOM 361 C SER A 23 16.837 1.453 -6.790 1.00 0.00 C ATOM 362 O SER A 23 16.617 1.649 -7.986 1.00 0.00 O ATOM 363 CB SER A 23 15.573 -0.623 -6.160 1.00 0.00 C ATOM 364 OG SER A 23 16.764 -1.348 -5.909 1.00 0.00 O ATOM 0 H SER A 23 14.416 2.042 -6.994 1.00 0.00 H new ATOM 0 HA SER A 23 16.065 1.007 -4.847 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.770 -1.014 -5.535 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.270 -0.768 -7.197 1.00 0.00 H new ATOM 0 HG SER A 23 16.613 -2.299 -6.093 1.00 0.00 H new ATOM 370 N ASN A 24 17.994 1.751 -6.213 1.00 0.00 N ATOM 371 CA ASN A 24 19.105 2.299 -6.980 1.00 0.00 C ATOM 372 C ASN A 24 20.344 1.423 -6.820 1.00 0.00 C ATOM 373 O ASN A 24 20.512 0.444 -7.544 1.00 0.00 O ATOM 374 CB ASN A 24 19.407 3.745 -6.558 1.00 0.00 C ATOM 375 CG ASN A 24 20.557 4.356 -7.344 1.00 0.00 C ATOM 376 OD1 ASN A 24 20.739 4.070 -8.528 1.00 0.00 O ATOM 377 ND2 ASN A 24 21.346 5.193 -6.689 1.00 0.00 N ATOM 0 H ASN A 24 18.187 1.623 -5.220 1.00 0.00 H new ATOM 0 HA ASN A 24 18.819 2.309 -8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 24 18.514 4.354 -6.696 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.646 3.767 -5.495 1.00 0.00 H new ATOM 0 HD21 ASN A 24 22.137 5.626 -7.165 1.00 0.00 H new ATOM 0 HD22 ASN A 24 21.163 5.405 -5.708 1.00 0.00 H new ATOM 384 N ASP A 25 21.193 1.753 -5.857 1.00 0.00 N ATOM 385 CA ASP A 25 22.412 0.986 -5.625 1.00 0.00 C ATOM 386 C ASP A 25 22.237 0.054 -4.437 1.00 0.00 C ATOM 387 O ASP A 25 22.629 -1.112 -4.487 1.00 0.00 O ATOM 388 CB ASP A 25 23.610 1.912 -5.386 1.00 0.00 C ATOM 389 CG ASP A 25 24.285 2.356 -6.668 1.00 0.00 C ATOM 390 OD1 ASP A 25 23.928 1.847 -7.753 1.00 0.00 O ATOM 391 OD2 ASP A 25 25.186 3.218 -6.597 1.00 0.00 O ATOM 0 H ASP A 25 21.062 2.543 -5.225 1.00 0.00 H new ATOM 0 HA ASP A 25 22.606 0.393 -6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.277 2.791 -4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.338 1.399 -4.758 1.00 0.00 H new ATOM 396 N ARG A 26 21.645 0.574 -3.371 1.00 0.00 N ATOM 397 CA ARG A 26 21.408 -0.215 -2.171 1.00 0.00 C ATOM 398 C ARG A 26 20.265 -1.202 -2.398 1.00 0.00 C ATOM 399 O ARG A 26 20.434 -2.414 -2.248 1.00 0.00 O ATOM 400 CB ARG A 26 21.087 0.706 -0.994 1.00 0.00 C ATOM 401 CG ARG A 26 22.310 1.387 -0.402 1.00 0.00 C ATOM 402 CD ARG A 26 23.069 0.457 0.534 1.00 0.00 C ATOM 403 NE ARG A 26 24.214 1.119 1.158 1.00 0.00 N ATOM 404 CZ ARG A 26 24.209 1.603 2.399 1.00 0.00 C ATOM 405 NH1 ARG A 26 23.118 1.515 3.149 1.00 0.00 N ATOM 406 NH2 ARG A 26 25.296 2.186 2.887 1.00 0.00 N ATOM 0 H ARG A 26 21.320 1.539 -3.313 1.00 0.00 H new ATOM 0 HA ARG A 26 22.311 -0.780 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.381 1.468 -1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 26 20.592 0.127 -0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.970 1.714 -1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.003 2.280 0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 26 22.394 0.094 1.309 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.414 -0.414 -0.023 1.00 0.00 H new ATOM 0 HE ARG A 26 25.069 1.216 0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 26 22.277 1.075 2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 26 23.120 1.888 4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.135 2.263 2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 26 25.293 2.557 3.837 1.00 0.00 H new ATOM 420 N GLY A 27 19.111 -0.675 -2.782 1.00 0.00 N ATOM 421 CA GLY A 27 17.955 -1.515 -3.028 1.00 0.00 C ATOM 422 C GLY A 27 16.842 -1.265 -2.033 1.00 0.00 C ATOM 423 O GLY A 27 15.672 -1.528 -2.317 1.00 0.00 O ATOM 0 H GLY A 27 18.954 0.322 -2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.585 -1.334 -4.037 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.253 -2.562 -2.981 1.00 0.00 H new ATOM 427 N ASP A 28 17.208 -0.738 -0.872 1.00 0.00 N ATOM 428 CA ASP A 28 16.251 -0.448 0.197 1.00 0.00 C ATOM 429 C ASP A 28 15.540 0.886 -0.027 1.00 0.00 C ATOM 430 O ASP A 28 15.433 1.707 0.885 1.00 0.00 O ATOM 431 CB ASP A 28 16.970 -0.430 1.552 1.00 0.00 C ATOM 432 CG ASP A 28 18.279 0.343 1.511 1.00 0.00 C ATOM 433 OD1 ASP A 28 18.252 1.592 1.558 1.00 0.00 O ATOM 434 OD2 ASP A 28 19.345 -0.301 1.432 1.00 0.00 O ATOM 0 H ASP A 28 18.172 -0.499 -0.641 1.00 0.00 H new ATOM 0 HA ASP A 28 15.497 -1.235 0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.314 0.014 2.301 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.167 -1.454 1.868 1.00 0.00 H new ATOM 439 N GLY A 29 15.041 1.092 -1.235 1.00 0.00 N ATOM 440 CA GLY A 29 14.348 2.328 -1.545 1.00 0.00 C ATOM 441 C GLY A 29 12.983 2.405 -0.889 1.00 0.00 C ATOM 442 O GLY A 29 12.630 3.423 -0.296 1.00 0.00 O ATOM 0 H GLY A 29 15.102 0.428 -2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.954 3.173 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.235 2.417 -2.625 1.00 0.00 H new ATOM 446 N GLY A 30 12.217 1.326 -0.991 1.00 0.00 N ATOM 447 CA GLY A 30 10.897 1.297 -0.395 1.00 0.00 C ATOM 448 C GLY A 30 9.795 1.271 -1.435 1.00 0.00 C ATOM 449 O GLY A 30 10.054 1.426 -2.631 1.00 0.00 O ATOM 0 H GLY A 30 12.487 0.471 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.809 0.419 0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.770 2.171 0.243 1.00 0.00 H new ATOM 453 N ILE A 31 8.565 1.077 -0.979 1.00 0.00 N ATOM 454 CA ILE A 31 7.416 1.023 -1.872 1.00 0.00 C ATOM 455 C ILE A 31 6.596 2.302 -1.768 1.00 0.00 C ATOM 456 O ILE A 31 6.226 2.733 -0.672 1.00 0.00 O ATOM 457 CB ILE A 31 6.520 -0.197 -1.578 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.198 -0.292 -0.083 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.200 -1.470 -2.058 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.166 -1.349 0.251 1.00 0.00 C ATOM 0 H ILE A 31 8.337 0.954 0.008 1.00 0.00 H new ATOM 0 HA ILE A 31 7.801 0.923 -2.887 1.00 0.00 H new ATOM 0 HB ILE A 31 5.581 -0.073 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.116 -0.507 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.839 0.677 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.560 -2.326 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.376 -1.406 -3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.152 -1.591 -1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.989 -1.358 1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.234 -1.124 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.531 -2.326 -0.065 1.00 0.00 H new ATOM 472 N TYR A 32 6.335 2.914 -2.911 1.00 0.00 N ATOM 473 CA TYR A 32 5.580 4.159 -2.961 1.00 0.00 C ATOM 474 C TYR A 32 4.354 4.014 -3.851 1.00 0.00 C ATOM 475 O TYR A 32 4.281 3.108 -4.677 1.00 0.00 O ATOM 476 CB TYR A 32 6.455 5.299 -3.496 1.00 0.00 C ATOM 477 CG TYR A 32 7.683 5.585 -2.658 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.797 4.759 -2.721 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.727 6.678 -1.800 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.916 5.007 -1.954 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.847 6.935 -1.031 1.00 0.00 C ATOM 482 CZ TYR A 32 9.938 6.095 -1.110 1.00 0.00 C ATOM 483 OH TYR A 32 11.056 6.342 -0.344 1.00 0.00 O ATOM 0 H TYR A 32 6.636 2.568 -3.822 1.00 0.00 H new ATOM 0 HA TYR A 32 5.260 4.392 -1.945 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.770 5.055 -4.510 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.853 6.205 -3.559 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.787 3.906 -3.383 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.873 7.336 -1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.772 4.351 -2.015 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.867 7.790 -0.371 1.00 0.00 H new ATOM 0 HH TYR A 32 10.866 6.123 0.592 1.00 0.00 H new ATOM 493 N ILE A 33 3.394 4.905 -3.668 1.00 0.00 N ATOM 494 CA ILE A 33 2.182 4.900 -4.472 1.00 0.00 C ATOM 495 C ILE A 33 2.455 5.574 -5.812 1.00 0.00 C ATOM 496 O ILE A 33 2.815 6.752 -5.863 1.00 0.00 O ATOM 497 CB ILE A 33 1.023 5.629 -3.754 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.730 4.969 -2.401 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.228 5.650 -4.621 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.282 3.525 -2.496 1.00 0.00 C ATOM 0 H ILE A 33 3.430 5.645 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 33 1.885 3.863 -4.628 1.00 0.00 H new ATOM 0 HB ILE A 33 1.329 6.660 -3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.627 5.019 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.042 5.544 -1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.028 6.168 -4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.014 6.169 -5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.539 4.628 -4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.096 3.135 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.634 3.466 -3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.061 2.933 -2.977 1.00 0.00 H new ATOM 512 N GLY A 34 2.297 4.825 -6.891 1.00 0.00 N ATOM 513 CA GLY A 34 2.543 5.366 -8.208 1.00 0.00 C ATOM 514 C GLY A 34 1.326 6.043 -8.803 1.00 0.00 C ATOM 515 O GLY A 34 1.266 7.272 -8.878 1.00 0.00 O ATOM 0 H GLY A 34 2.002 3.849 -6.877 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.362 6.084 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.866 4.563 -8.871 1.00 0.00 H new ATOM 519 N SER A 35 0.358 5.247 -9.224 1.00 0.00 N ATOM 520 CA SER A 35 -0.852 5.782 -9.821 1.00 0.00 C ATOM 521 C SER A 35 -2.100 5.292 -9.090 1.00 0.00 C ATOM 522 O SER A 35 -2.202 4.119 -8.722 1.00 0.00 O ATOM 523 CB SER A 35 -0.914 5.391 -11.298 1.00 0.00 C ATOM 524 OG SER A 35 -0.435 4.069 -11.492 1.00 0.00 O ATOM 0 H SER A 35 0.387 4.229 -9.163 1.00 0.00 H new ATOM 0 HA SER A 35 -0.824 6.868 -9.734 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.941 5.466 -11.656 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.319 6.088 -11.888 1.00 0.00 H new ATOM 0 HG SER A 35 -0.485 3.839 -12.443 1.00 0.00 H new ATOM 530 N ILE A 36 -3.032 6.209 -8.868 1.00 0.00 N ATOM 531 CA ILE A 36 -4.286 5.891 -8.202 1.00 0.00 C ATOM 532 C ILE A 36 -5.380 5.668 -9.243 1.00 0.00 C ATOM 533 O ILE A 36 -5.431 6.366 -10.258 1.00 0.00 O ATOM 534 CB ILE A 36 -4.717 7.014 -7.228 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.587 7.317 -6.237 1.00 0.00 C ATOM 536 CG2 ILE A 36 -5.991 6.626 -6.486 1.00 0.00 C ATOM 537 CD1 ILE A 36 -3.992 8.230 -5.099 1.00 0.00 C ATOM 0 H ILE A 36 -2.941 7.187 -9.143 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.134 4.982 -7.620 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.924 7.914 -7.807 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.220 6.378 -5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.757 7.773 -6.777 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.276 7.430 -5.807 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.793 6.457 -7.204 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.816 5.714 -5.915 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.137 8.395 -4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.330 9.185 -5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.800 7.768 -4.532 1.00 0.00 H new ATOM 549 N MET A 37 -6.235 4.691 -8.996 1.00 0.00 N ATOM 550 CA MET A 37 -7.317 4.374 -9.915 1.00 0.00 C ATOM 551 C MET A 37 -8.661 4.731 -9.300 1.00 0.00 C ATOM 552 O MET A 37 -8.978 4.302 -8.186 1.00 0.00 O ATOM 553 CB MET A 37 -7.289 2.887 -10.280 1.00 0.00 C ATOM 554 CG MET A 37 -5.939 2.404 -10.789 1.00 0.00 C ATOM 555 SD MET A 37 -5.422 3.250 -12.297 1.00 0.00 S ATOM 556 CE MET A 37 -3.727 2.685 -12.421 1.00 0.00 C ATOM 0 H MET A 37 -6.202 4.101 -8.164 1.00 0.00 H new ATOM 0 HA MET A 37 -7.179 4.963 -10.822 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.566 2.302 -9.403 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.044 2.696 -11.043 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.187 2.557 -10.015 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.988 1.332 -10.977 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.262 3.120 -13.306 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.175 2.993 -11.533 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.711 1.598 -12.499 1.00 0.00 H new ATOM 566 N LYS A 38 -9.440 5.524 -10.024 1.00 0.00 N ATOM 567 CA LYS A 38 -10.752 5.941 -9.554 1.00 0.00 C ATOM 568 C LYS A 38 -11.663 4.727 -9.414 1.00 0.00 C ATOM 569 O LYS A 38 -11.740 3.894 -10.316 1.00 0.00 O ATOM 570 CB LYS A 38 -11.363 6.958 -10.523 1.00 0.00 C ATOM 571 CG LYS A 38 -12.567 7.694 -9.964 1.00 0.00 C ATOM 572 CD LYS A 38 -12.195 8.553 -8.765 1.00 0.00 C ATOM 573 CE LYS A 38 -13.328 9.489 -8.376 1.00 0.00 C ATOM 574 NZ LYS A 38 -14.590 8.753 -8.096 1.00 0.00 N ATOM 0 H LYS A 38 -9.184 5.891 -10.941 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.645 6.415 -8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.600 7.686 -10.799 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.657 6.443 -11.437 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.002 8.323 -10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.331 6.973 -9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.946 7.911 -7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.304 9.136 -8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.039 10.061 -7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.497 10.206 -9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.284 9.402 -7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.971 8.367 -8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.398 7.974 -7.434 1.00 0.00 H new ATOM 588 N GLY A 39 -12.341 4.631 -8.283 1.00 0.00 N ATOM 589 CA GLY A 39 -13.214 3.504 -8.035 1.00 0.00 C ATOM 590 C GLY A 39 -12.620 2.575 -7.001 1.00 0.00 C ATOM 591 O GLY A 39 -13.303 1.708 -6.451 1.00 0.00 O ATOM 0 H GLY A 39 -12.302 5.316 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.186 3.861 -7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.383 2.959 -8.964 1.00 0.00 H new ATOM 595 N GLY A 40 -11.336 2.762 -6.735 1.00 0.00 N ATOM 596 CA GLY A 40 -10.655 1.943 -5.761 1.00 0.00 C ATOM 597 C GLY A 40 -10.936 2.401 -4.348 1.00 0.00 C ATOM 598 O GLY A 40 -11.396 3.525 -4.135 1.00 0.00 O ATOM 0 H GLY A 40 -10.753 3.471 -7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.968 0.905 -5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.581 1.974 -5.947 1.00 0.00 H new ATOM 602 N ALA A 41 -10.666 1.533 -3.385 1.00 0.00 N ATOM 603 CA ALA A 41 -10.891 1.846 -1.979 1.00 0.00 C ATOM 604 C ALA A 41 -10.113 3.085 -1.545 1.00 0.00 C ATOM 605 O ALA A 41 -10.580 3.863 -0.713 1.00 0.00 O ATOM 606 CB ALA A 41 -10.520 0.654 -1.113 1.00 0.00 C ATOM 0 H ALA A 41 -10.288 0.600 -3.552 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.951 2.065 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.692 0.898 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.134 -0.203 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.468 0.410 -1.261 1.00 0.00 H new ATOM 612 N VAL A 42 -8.937 3.279 -2.129 1.00 0.00 N ATOM 613 CA VAL A 42 -8.101 4.425 -1.796 1.00 0.00 C ATOM 614 C VAL A 42 -8.642 5.698 -2.439 1.00 0.00 C ATOM 615 O VAL A 42 -8.570 6.781 -1.854 1.00 0.00 O ATOM 616 CB VAL A 42 -6.645 4.204 -2.240 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.787 5.421 -1.928 1.00 0.00 C ATOM 618 CG2 VAL A 42 -6.077 2.968 -1.567 1.00 0.00 C ATOM 0 H VAL A 42 -8.541 2.658 -2.835 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.122 4.535 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.635 4.055 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.763 5.237 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.183 6.290 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.799 5.609 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.046 2.820 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.105 3.097 -0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.671 2.097 -1.844 1.00 0.00 H new ATOM 628 N ALA A 43 -9.206 5.556 -3.634 1.00 0.00 N ATOM 629 CA ALA A 43 -9.764 6.691 -4.358 1.00 0.00 C ATOM 630 C ALA A 43 -11.021 7.215 -3.673 1.00 0.00 C ATOM 631 O ALA A 43 -11.467 8.333 -3.935 1.00 0.00 O ATOM 632 CB ALA A 43 -10.063 6.304 -5.796 1.00 0.00 C ATOM 0 H ALA A 43 -9.288 4.664 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.024 7.491 -4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.479 7.162 -6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.143 5.987 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.782 5.485 -5.810 1.00 0.00 H new ATOM 638 N ALA A 44 -11.590 6.394 -2.801 1.00 0.00 N ATOM 639 CA ALA A 44 -12.788 6.770 -2.062 1.00 0.00 C ATOM 640 C ALA A 44 -12.413 7.465 -0.760 1.00 0.00 C ATOM 641 O ALA A 44 -13.278 7.928 -0.018 1.00 0.00 O ATOM 642 CB ALA A 44 -13.644 5.548 -1.778 1.00 0.00 C ATOM 0 H ALA A 44 -11.240 5.460 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.365 7.463 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.534 5.848 -1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.940 5.084 -2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.073 4.833 -1.185 1.00 0.00 H new ATOM 648 N ASP A 45 -11.116 7.525 -0.489 1.00 0.00 N ATOM 649 CA ASP A 45 -10.611 8.164 0.718 1.00 0.00 C ATOM 650 C ASP A 45 -10.085 9.556 0.388 1.00 0.00 C ATOM 651 O ASP A 45 -10.721 10.560 0.705 1.00 0.00 O ATOM 652 CB ASP A 45 -9.507 7.320 1.357 1.00 0.00 C ATOM 653 CG ASP A 45 -9.163 7.794 2.752 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.448 8.811 2.883 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.616 7.161 3.725 1.00 0.00 O ATOM 0 H ASP A 45 -10.391 7.137 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.430 8.252 1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.825 6.278 1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.615 7.357 0.732 1.00 0.00 H new ATOM 660 N GLY A 46 -8.922 9.613 -0.257 1.00 0.00 N ATOM 661 CA GLY A 46 -8.351 10.892 -0.635 1.00 0.00 C ATOM 662 C GLY A 46 -7.082 11.255 0.121 1.00 0.00 C ATOM 663 O GLY A 46 -6.274 12.039 -0.378 1.00 0.00 O ATOM 0 H GLY A 46 -8.368 8.799 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.133 10.879 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.094 11.672 -0.471 1.00 0.00 H new ATOM 667 N ARG A 47 -6.885 10.689 1.307 1.00 0.00 N ATOM 668 CA ARG A 47 -5.697 11.003 2.106 1.00 0.00 C ATOM 669 C ARG A 47 -4.413 10.553 1.406 1.00 0.00 C ATOM 670 O ARG A 47 -3.376 11.215 1.502 1.00 0.00 O ATOM 671 CB ARG A 47 -5.796 10.377 3.500 1.00 0.00 C ATOM 672 CG ARG A 47 -6.616 11.209 4.480 1.00 0.00 C ATOM 673 CD ARG A 47 -6.902 10.454 5.771 1.00 0.00 C ATOM 674 NE ARG A 47 -7.773 9.301 5.554 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.238 8.522 6.532 1.00 0.00 C ATOM 676 NH1 ARG A 47 -7.916 8.764 7.797 1.00 0.00 N ATOM 677 NH2 ARG A 47 -9.029 7.506 6.239 1.00 0.00 N ATOM 0 H ARG A 47 -7.522 10.018 1.736 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.654 12.087 2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.242 9.386 3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.792 10.241 3.902 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.080 12.130 4.710 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.558 11.496 4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.962 10.120 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.367 11.129 6.489 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.042 9.078 4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.309 9.551 8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.276 8.163 8.539 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.282 7.320 5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.387 6.907 6.983 1.00 0.00 H new ATOM 691 N ILE A 48 -4.489 9.439 0.694 1.00 0.00 N ATOM 692 CA ILE A 48 -3.338 8.911 -0.024 1.00 0.00 C ATOM 693 C ILE A 48 -3.242 9.544 -1.410 1.00 0.00 C ATOM 694 O ILE A 48 -4.258 9.742 -2.082 1.00 0.00 O ATOM 695 CB ILE A 48 -3.416 7.373 -0.158 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.425 6.720 1.226 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.259 6.842 -0.995 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.434 5.206 1.186 1.00 0.00 C ATOM 0 H ILE A 48 -5.338 8.882 0.598 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.446 9.160 0.551 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.345 7.119 -0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.549 7.055 1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.301 7.065 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.335 5.758 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.298 7.283 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.315 7.105 -0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.440 4.815 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.324 4.861 0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.544 4.850 0.666 1.00 0.00 H new ATOM 710 N GLU A 49 -2.028 9.885 -1.813 1.00 0.00 N ATOM 711 CA GLU A 49 -1.782 10.493 -3.112 1.00 0.00 C ATOM 712 C GLU A 49 -0.546 9.867 -3.765 1.00 0.00 C ATOM 713 O GLU A 49 0.259 9.225 -3.084 1.00 0.00 O ATOM 714 CB GLU A 49 -1.586 12.005 -2.952 1.00 0.00 C ATOM 715 CG GLU A 49 -0.296 12.377 -2.239 1.00 0.00 C ATOM 716 CD GLU A 49 -0.185 13.857 -1.948 1.00 0.00 C ATOM 717 OE1 GLU A 49 -0.627 14.283 -0.862 1.00 0.00 O ATOM 718 OE2 GLU A 49 0.360 14.596 -2.795 1.00 0.00 O ATOM 0 H GLU A 49 -1.188 9.749 -1.251 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.644 10.313 -3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.595 12.471 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.430 12.416 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.233 11.823 -1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.552 12.068 -2.850 1.00 0.00 H new ATOM 725 N PRO A 50 -0.378 10.027 -5.093 1.00 0.00 N ATOM 726 CA PRO A 50 0.783 9.485 -5.807 1.00 0.00 C ATOM 727 C PRO A 50 2.093 10.079 -5.289 1.00 0.00 C ATOM 728 O PRO A 50 2.426 11.232 -5.577 1.00 0.00 O ATOM 729 CB PRO A 50 0.551 9.897 -7.262 1.00 0.00 C ATOM 730 CG PRO A 50 -0.903 10.208 -7.353 1.00 0.00 C ATOM 731 CD PRO A 50 -1.303 10.723 -6.002 1.00 0.00 C ATOM 0 HA PRO A 50 0.874 8.407 -5.675 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.156 10.764 -7.527 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.826 9.095 -7.947 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.095 10.952 -8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.476 9.319 -7.617 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.196 11.806 -5.935 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.343 10.491 -5.774 1.00 0.00 H new ATOM 739 N GLY A 51 2.825 9.284 -4.523 1.00 0.00 N ATOM 740 CA GLY A 51 4.077 9.731 -3.951 1.00 0.00 C ATOM 741 C GLY A 51 4.210 9.300 -2.505 1.00 0.00 C ATOM 742 O GLY A 51 5.308 9.301 -1.948 1.00 0.00 O ATOM 0 H GLY A 51 2.569 8.326 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.908 9.328 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.141 10.817 -4.016 1.00 0.00 H new ATOM 746 N ASP A 52 3.089 8.933 -1.896 1.00 0.00 N ATOM 747 CA ASP A 52 3.082 8.490 -0.506 1.00 0.00 C ATOM 748 C ASP A 52 3.794 7.146 -0.375 1.00 0.00 C ATOM 749 O ASP A 52 3.670 6.280 -1.245 1.00 0.00 O ATOM 750 CB ASP A 52 1.646 8.376 0.025 1.00 0.00 C ATOM 751 CG ASP A 52 0.975 9.724 0.230 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.685 10.743 0.379 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.273 9.774 0.246 1.00 0.00 O ATOM 0 H ASP A 52 2.172 8.933 -2.343 1.00 0.00 H new ATOM 0 HA ASP A 52 3.612 9.234 0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.053 7.785 -0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.657 7.835 0.971 1.00 0.00 H new ATOM 758 N MET A 53 4.548 6.986 0.703 1.00 0.00 N ATOM 759 CA MET A 53 5.289 5.756 0.953 1.00 0.00 C ATOM 760 C MET A 53 4.540 4.864 1.929 1.00 0.00 C ATOM 761 O MET A 53 4.058 5.333 2.960 1.00 0.00 O ATOM 762 CB MET A 53 6.681 6.082 1.507 1.00 0.00 C ATOM 763 CG MET A 53 7.508 4.854 1.863 1.00 0.00 C ATOM 764 SD MET A 53 9.194 5.269 2.352 1.00 0.00 S ATOM 765 CE MET A 53 9.748 3.687 2.987 1.00 0.00 C ATOM 0 H MET A 53 4.664 7.698 1.424 1.00 0.00 H new ATOM 0 HA MET A 53 5.395 5.223 0.008 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.225 6.673 0.770 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.571 6.704 2.396 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.020 4.316 2.676 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.538 4.180 1.007 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.778 3.774 3.332 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.111 3.386 3.819 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.692 2.938 2.197 1.00 0.00 H new ATOM 775 N LEU A 54 4.446 3.582 1.599 1.00 0.00 N ATOM 776 CA LEU A 54 3.767 2.616 2.457 1.00 0.00 C ATOM 777 C LEU A 54 4.745 2.056 3.483 1.00 0.00 C ATOM 778 O LEU A 54 5.814 1.562 3.125 1.00 0.00 O ATOM 779 CB LEU A 54 3.171 1.470 1.632 1.00 0.00 C ATOM 780 CG LEU A 54 2.001 1.845 0.724 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.752 0.745 -0.294 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.749 2.094 1.546 1.00 0.00 C ATOM 0 H LEU A 54 4.832 3.185 0.742 1.00 0.00 H new ATOM 0 HA LEU A 54 2.954 3.129 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.962 1.041 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.840 0.689 2.316 1.00 0.00 H new ATOM 0 HG LEU A 54 2.255 2.763 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.916 1.025 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.645 0.604 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.517 -0.184 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.074 2.360 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.492 1.191 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.930 2.910 2.246 1.00 0.00 H new ATOM 794 N LEU A 55 4.387 2.147 4.753 1.00 0.00 N ATOM 795 CA LEU A 55 5.246 1.653 5.818 1.00 0.00 C ATOM 796 C LEU A 55 4.740 0.316 6.351 1.00 0.00 C ATOM 797 O LEU A 55 5.411 -0.708 6.231 1.00 0.00 O ATOM 798 CB LEU A 55 5.316 2.669 6.956 1.00 0.00 C ATOM 799 CG LEU A 55 5.683 4.099 6.551 1.00 0.00 C ATOM 800 CD1 LEU A 55 5.664 5.004 7.773 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.051 4.143 5.875 1.00 0.00 C ATOM 0 H LEU A 55 3.509 2.557 5.072 1.00 0.00 H new ATOM 0 HA LEU A 55 6.244 1.507 5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.349 2.691 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.046 2.319 7.686 1.00 0.00 H new ATOM 0 HG LEU A 55 4.944 4.455 5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.926 6.020 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.667 5.000 8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.385 4.642 8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.287 5.170 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.809 3.770 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.035 3.520 4.981 1.00 0.00 H new ATOM 813 N GLN A 56 3.554 0.331 6.937 1.00 0.00 N ATOM 814 CA GLN A 56 2.968 -0.876 7.498 1.00 0.00 C ATOM 815 C GLN A 56 1.592 -1.134 6.890 1.00 0.00 C ATOM 816 O GLN A 56 0.821 -0.199 6.674 1.00 0.00 O ATOM 817 CB GLN A 56 2.854 -0.748 9.022 1.00 0.00 C ATOM 818 CG GLN A 56 2.214 -1.953 9.696 1.00 0.00 C ATOM 819 CD GLN A 56 1.924 -1.732 11.169 1.00 0.00 C ATOM 820 OE1 GLN A 56 0.945 -2.255 11.702 1.00 0.00 O ATOM 821 NE2 GLN A 56 2.776 -0.975 11.844 1.00 0.00 N ATOM 0 H GLN A 56 2.977 1.166 7.037 1.00 0.00 H new ATOM 0 HA GLN A 56 3.617 -1.719 7.261 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.849 -0.597 9.440 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.270 0.141 9.259 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.284 -2.197 9.182 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.873 -2.814 9.588 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.576 -0.558 11.368 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.632 -0.809 12.840 1.00 0.00 H new ATOM 830 N VAL A 57 1.297 -2.397 6.601 1.00 0.00 N ATOM 831 CA VAL A 57 0.009 -2.773 6.027 1.00 0.00 C ATOM 832 C VAL A 57 -0.556 -3.978 6.766 1.00 0.00 C ATOM 833 O VAL A 57 -0.136 -5.107 6.528 1.00 0.00 O ATOM 834 CB VAL A 57 0.111 -3.114 4.524 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.259 -3.479 3.960 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.734 -1.962 3.741 1.00 0.00 C ATOM 0 H VAL A 57 1.933 -3.179 6.755 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.650 -1.912 6.135 1.00 0.00 H new ATOM 0 HB VAL A 57 0.764 -3.980 4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.165 -3.716 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.652 -4.345 4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.940 -2.637 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.794 -2.229 2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.118 -1.070 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.736 -1.763 4.122 1.00 0.00 H new ATOM 846 N ASN A 58 -1.494 -3.719 7.668 1.00 0.00 N ATOM 847 CA ASN A 58 -2.137 -4.772 8.455 1.00 0.00 C ATOM 848 C ASN A 58 -1.123 -5.582 9.258 1.00 0.00 C ATOM 849 O ASN A 58 -0.779 -6.709 8.889 1.00 0.00 O ATOM 850 CB ASN A 58 -2.962 -5.703 7.562 1.00 0.00 C ATOM 851 CG ASN A 58 -4.319 -5.131 7.201 1.00 0.00 C ATOM 852 OD1 ASN A 58 -4.450 -4.369 6.245 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.341 -5.498 7.958 1.00 0.00 N ATOM 0 H ASN A 58 -1.832 -2.779 7.877 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.806 -4.276 9.159 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.405 -5.907 6.647 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.100 -6.657 8.071 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.277 -5.147 7.756 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.192 -6.132 8.743 1.00 0.00 H new ATOM 860 N ASP A 59 -0.636 -4.979 10.344 1.00 0.00 N ATOM 861 CA ASP A 59 0.322 -5.607 11.265 1.00 0.00 C ATOM 862 C ASP A 59 1.734 -5.733 10.697 1.00 0.00 C ATOM 863 O ASP A 59 2.696 -5.330 11.345 1.00 0.00 O ATOM 864 CB ASP A 59 -0.169 -6.983 11.728 1.00 0.00 C ATOM 865 CG ASP A 59 -1.254 -6.890 12.781 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.031 -6.215 13.808 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.337 -7.485 12.582 1.00 0.00 O ATOM 0 H ASP A 59 -0.896 -4.031 10.615 1.00 0.00 H new ATOM 0 HA ASP A 59 0.380 -4.930 12.117 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.548 -7.537 10.869 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.672 -7.549 12.127 1.00 0.00 H new ATOM 872 N VAL A 60 1.871 -6.299 9.507 1.00 0.00 N ATOM 873 CA VAL A 60 3.190 -6.485 8.907 1.00 0.00 C ATOM 874 C VAL A 60 3.807 -5.165 8.439 1.00 0.00 C ATOM 875 O VAL A 60 3.172 -4.372 7.738 1.00 0.00 O ATOM 876 CB VAL A 60 3.161 -7.490 7.732 1.00 0.00 C ATOM 877 CG1 VAL A 60 2.964 -8.903 8.252 1.00 0.00 C ATOM 878 CG2 VAL A 60 2.076 -7.139 6.724 1.00 0.00 C ATOM 0 H VAL A 60 1.094 -6.636 8.939 1.00 0.00 H new ATOM 0 HA VAL A 60 3.817 -6.896 9.699 1.00 0.00 H new ATOM 0 HB VAL A 60 4.121 -7.432 7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.946 -9.600 7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.784 -9.162 8.921 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.020 -8.963 8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.085 -7.866 5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.103 -7.156 7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.262 -6.143 6.321 1.00 0.00 H new ATOM 888 N ASN A 61 5.047 -4.939 8.856 1.00 0.00 N ATOM 889 CA ASN A 61 5.786 -3.736 8.501 1.00 0.00 C ATOM 890 C ASN A 61 6.721 -4.031 7.331 1.00 0.00 C ATOM 891 O ASN A 61 7.417 -5.047 7.331 1.00 0.00 O ATOM 892 CB ASN A 61 6.588 -3.248 9.712 1.00 0.00 C ATOM 893 CG ASN A 61 7.353 -1.966 9.445 1.00 0.00 C ATOM 894 OD1 ASN A 61 6.986 -1.178 8.577 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.425 -1.746 10.191 1.00 0.00 N ATOM 0 H ASN A 61 5.567 -5.585 9.450 1.00 0.00 H new ATOM 0 HA ASN A 61 5.086 -2.955 8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.909 -3.090 10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.290 -4.026 10.013 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.977 -0.899 10.054 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.699 -2.424 10.902 1.00 0.00 H new ATOM 902 N PHE A 62 6.746 -3.145 6.346 1.00 0.00 N ATOM 903 CA PHE A 62 7.590 -3.341 5.168 1.00 0.00 C ATOM 904 C PHE A 62 8.791 -2.399 5.158 1.00 0.00 C ATOM 905 O PHE A 62 9.592 -2.425 4.224 1.00 0.00 O ATOM 906 CB PHE A 62 6.773 -3.133 3.893 1.00 0.00 C ATOM 907 CG PHE A 62 5.623 -4.091 3.745 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.825 -5.459 3.850 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.341 -3.625 3.503 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.773 -6.341 3.716 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.283 -4.504 3.371 1.00 0.00 C ATOM 912 CZ PHE A 62 3.500 -5.863 3.477 1.00 0.00 C ATOM 0 H PHE A 62 6.196 -2.286 6.335 1.00 0.00 H new ATOM 0 HA PHE A 62 7.964 -4.364 5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.388 -2.113 3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.431 -3.234 3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.818 -5.838 4.039 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.167 -2.563 3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.945 -7.404 3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.288 -4.128 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.675 -6.552 3.373 1.00 0.00 H new ATOM 922 N GLU A 63 8.923 -1.582 6.197 1.00 0.00 N ATOM 923 CA GLU A 63 10.030 -0.630 6.285 1.00 0.00 C ATOM 924 C GLU A 63 11.384 -1.337 6.228 1.00 0.00 C ATOM 925 O GLU A 63 12.305 -0.883 5.549 1.00 0.00 O ATOM 926 CB GLU A 63 9.925 0.195 7.565 1.00 0.00 C ATOM 927 CG GLU A 63 8.879 1.291 7.491 1.00 0.00 C ATOM 928 CD GLU A 63 9.006 2.280 8.626 1.00 0.00 C ATOM 929 OE1 GLU A 63 9.792 3.240 8.494 1.00 0.00 O ATOM 930 OE2 GLU A 63 8.326 2.102 9.659 1.00 0.00 O ATOM 0 H GLU A 63 8.281 -1.558 6.989 1.00 0.00 H new ATOM 0 HA GLU A 63 9.960 0.035 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.688 -0.468 8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.895 0.643 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.973 1.817 6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.885 0.844 7.511 1.00 0.00 H new ATOM 937 N ASN A 64 11.497 -2.455 6.930 1.00 0.00 N ATOM 938 CA ASN A 64 12.744 -3.214 6.955 1.00 0.00 C ATOM 939 C ASN A 64 12.641 -4.456 6.080 1.00 0.00 C ATOM 940 O ASN A 64 13.231 -5.497 6.381 1.00 0.00 O ATOM 941 CB ASN A 64 13.113 -3.623 8.386 1.00 0.00 C ATOM 942 CG ASN A 64 13.754 -2.494 9.174 1.00 0.00 C ATOM 943 OD1 ASN A 64 14.347 -1.575 8.607 1.00 0.00 O ATOM 944 ND2 ASN A 64 13.655 -2.561 10.494 1.00 0.00 N ATOM 0 H ASN A 64 10.745 -2.858 7.489 1.00 0.00 H new ATOM 0 HA ASN A 64 13.528 -2.567 6.562 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.216 -3.959 8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.798 -4.470 8.352 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.078 -1.837 11.075 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.156 -3.337 10.929 1.00 0.00 H new ATOM 951 N MET A 65 11.894 -4.339 4.992 1.00 0.00 N ATOM 952 CA MET A 65 11.722 -5.446 4.065 1.00 0.00 C ATOM 953 C MET A 65 12.106 -5.019 2.653 1.00 0.00 C ATOM 954 O MET A 65 12.251 -3.827 2.368 1.00 0.00 O ATOM 955 CB MET A 65 10.276 -5.960 4.089 1.00 0.00 C ATOM 956 CG MET A 65 9.966 -6.862 5.277 1.00 0.00 C ATOM 957 SD MET A 65 8.263 -7.458 5.285 1.00 0.00 S ATOM 958 CE MET A 65 8.263 -8.520 3.840 1.00 0.00 C ATOM 0 H MET A 65 11.397 -3.488 4.730 1.00 0.00 H new ATOM 0 HA MET A 65 12.379 -6.257 4.379 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.597 -5.107 4.105 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.079 -6.508 3.167 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.644 -7.716 5.264 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.158 -6.316 6.201 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.535 -9.320 3.976 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.999 -7.935 2.959 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.255 -8.951 3.705 1.00 0.00 H new ATOM 968 N SER A 66 12.286 -5.997 1.782 1.00 0.00 N ATOM 969 CA SER A 66 12.648 -5.738 0.400 1.00 0.00 C ATOM 970 C SER A 66 11.431 -5.261 -0.382 1.00 0.00 C ATOM 971 O SER A 66 10.293 -5.518 0.013 1.00 0.00 O ATOM 972 CB SER A 66 13.220 -7.004 -0.240 1.00 0.00 C ATOM 973 OG SER A 66 12.254 -8.042 -0.267 1.00 0.00 O ATOM 0 H SER A 66 12.186 -6.986 2.011 1.00 0.00 H new ATOM 0 HA SER A 66 13.408 -4.957 0.377 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.551 -6.785 -1.255 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.097 -7.333 0.318 1.00 0.00 H new ATOM 0 HG SER A 66 12.612 -8.834 0.186 1.00 0.00 H new ATOM 979 N ASN A 67 11.675 -4.579 -1.491 1.00 0.00 N ATOM 980 CA ASN A 67 10.596 -4.057 -2.326 1.00 0.00 C ATOM 981 C ASN A 67 9.743 -5.187 -2.893 1.00 0.00 C ATOM 982 O ASN A 67 8.530 -5.044 -3.047 1.00 0.00 O ATOM 983 CB ASN A 67 11.155 -3.224 -3.482 1.00 0.00 C ATOM 984 CG ASN A 67 11.990 -2.046 -3.022 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.840 -1.549 -1.905 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.877 -1.590 -3.887 1.00 0.00 N ATOM 0 H ASN A 67 12.612 -4.372 -1.837 1.00 0.00 H new ATOM 0 HA ASN A 67 9.974 -3.425 -1.692 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.763 -3.864 -4.121 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.328 -2.859 -4.091 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.470 -0.797 -3.640 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.970 -2.030 -4.802 1.00 0.00 H new ATOM 993 N ASP A 68 10.386 -6.306 -3.209 1.00 0.00 N ATOM 994 CA ASP A 68 9.688 -7.460 -3.770 1.00 0.00 C ATOM 995 C ASP A 68 8.798 -8.121 -2.732 1.00 0.00 C ATOM 996 O ASP A 68 7.599 -8.301 -2.951 1.00 0.00 O ATOM 997 CB ASP A 68 10.682 -8.486 -4.323 1.00 0.00 C ATOM 998 CG ASP A 68 11.018 -8.236 -5.777 1.00 0.00 C ATOM 999 OD1 ASP A 68 10.289 -8.738 -6.658 1.00 0.00 O ATOM 1000 OD2 ASP A 68 12.011 -7.527 -6.048 1.00 0.00 O ATOM 0 H ASP A 68 11.390 -6.440 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 68 9.064 -7.096 -4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.597 -8.457 -3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.264 -9.487 -4.216 1.00 0.00 H new ATOM 1005 N ASP A 69 9.384 -8.456 -1.591 1.00 0.00 N ATOM 1006 CA ASP A 69 8.649 -9.119 -0.522 1.00 0.00 C ATOM 1007 C ASP A 69 7.532 -8.236 0.004 1.00 0.00 C ATOM 1008 O ASP A 69 6.475 -8.733 0.394 1.00 0.00 O ATOM 1009 CB ASP A 69 9.585 -9.527 0.616 1.00 0.00 C ATOM 1010 CG ASP A 69 10.319 -10.819 0.318 1.00 0.00 C ATOM 1011 OD1 ASP A 69 9.658 -11.807 -0.061 1.00 0.00 O ATOM 1012 OD2 ASP A 69 11.561 -10.855 0.464 1.00 0.00 O ATOM 0 H ASP A 69 10.367 -8.280 -1.381 1.00 0.00 H new ATOM 0 HA ASP A 69 8.203 -10.021 -0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.309 -8.732 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.009 -9.642 1.534 1.00 0.00 H new ATOM 1017 N ALA A 70 7.762 -6.926 -0.003 1.00 0.00 N ATOM 1018 CA ALA A 70 6.760 -5.975 0.460 1.00 0.00 C ATOM 1019 C ALA A 70 5.477 -6.119 -0.351 1.00 0.00 C ATOM 1020 O ALA A 70 4.385 -6.229 0.205 1.00 0.00 O ATOM 1021 CB ALA A 70 7.286 -4.552 0.360 1.00 0.00 C ATOM 0 H ALA A 70 8.632 -6.501 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 70 6.540 -6.191 1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.523 -3.857 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.180 -4.450 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.533 -4.327 -0.678 1.00 0.00 H new ATOM 1027 N VAL A 71 5.619 -6.138 -1.673 1.00 0.00 N ATOM 1028 CA VAL A 71 4.475 -6.281 -2.559 1.00 0.00 C ATOM 1029 C VAL A 71 3.904 -7.696 -2.466 1.00 0.00 C ATOM 1030 O VAL A 71 2.693 -7.892 -2.548 1.00 0.00 O ATOM 1031 CB VAL A 71 4.847 -5.957 -4.026 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.653 -6.154 -4.946 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.371 -4.533 -4.148 1.00 0.00 C ATOM 0 H VAL A 71 6.516 -6.056 -2.152 1.00 0.00 H new ATOM 0 HA VAL A 71 3.718 -5.565 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 71 5.635 -6.646 -4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.941 -5.920 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.318 -7.190 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.843 -5.494 -4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.626 -4.327 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.603 -3.833 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.259 -4.418 -3.527 1.00 0.00 H new ATOM 1043 N ARG A 72 4.785 -8.671 -2.263 1.00 0.00 N ATOM 1044 CA ARG A 72 4.381 -10.071 -2.149 1.00 0.00 C ATOM 1045 C ARG A 72 3.363 -10.254 -1.030 1.00 0.00 C ATOM 1046 O ARG A 72 2.292 -10.829 -1.236 1.00 0.00 O ATOM 1047 CB ARG A 72 5.593 -10.969 -1.885 1.00 0.00 C ATOM 1048 CG ARG A 72 6.460 -11.209 -3.108 1.00 0.00 C ATOM 1049 CD ARG A 72 7.624 -12.137 -2.794 1.00 0.00 C ATOM 1050 NE ARG A 72 8.541 -12.260 -3.926 1.00 0.00 N ATOM 1051 CZ ARG A 72 9.870 -12.306 -3.820 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.462 -12.242 -2.631 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.614 -12.410 -4.912 1.00 0.00 N ATOM 0 H ARG A 72 5.789 -8.517 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 72 3.924 -10.358 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.203 -10.518 -1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.245 -11.929 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.855 -11.640 -3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.842 -10.257 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.166 -11.760 -1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.242 -13.122 -2.527 1.00 0.00 H new ATOM 0 HE ARG A 72 8.137 -12.314 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.899 -12.157 -1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.479 -12.278 -2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.170 -12.455 -5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.630 -12.445 -4.835 1.00 0.00 H new ATOM 1067 N VAL A 73 3.699 -9.755 0.153 1.00 0.00 N ATOM 1068 CA VAL A 73 2.808 -9.866 1.300 1.00 0.00 C ATOM 1069 C VAL A 73 1.548 -9.039 1.074 1.00 0.00 C ATOM 1070 O VAL A 73 0.442 -9.461 1.419 1.00 0.00 O ATOM 1071 CB VAL A 73 3.494 -9.408 2.604 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.581 -9.630 3.800 1.00 0.00 C ATOM 1073 CG2 VAL A 73 4.812 -10.137 2.804 1.00 0.00 C ATOM 0 H VAL A 73 4.577 -9.272 0.342 1.00 0.00 H new ATOM 0 HA VAL A 73 2.544 -10.918 1.404 1.00 0.00 H new ATOM 0 HB VAL A 73 3.699 -8.341 2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.085 -9.300 4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.662 -9.059 3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.341 -10.690 3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.278 -9.798 3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.629 -11.210 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.475 -9.926 1.965 1.00 0.00 H new ATOM 1083 N LEU A 74 1.723 -7.869 0.475 1.00 0.00 N ATOM 1084 CA LEU A 74 0.605 -6.983 0.180 1.00 0.00 C ATOM 1085 C LEU A 74 -0.412 -7.687 -0.718 1.00 0.00 C ATOM 1086 O LEU A 74 -1.617 -7.579 -0.503 1.00 0.00 O ATOM 1087 CB LEU A 74 1.103 -5.704 -0.497 1.00 0.00 C ATOM 1088 CG LEU A 74 0.015 -4.680 -0.832 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.505 -4.008 0.430 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.546 -3.642 -1.800 1.00 0.00 C ATOM 0 H LEU A 74 2.632 -7.510 0.183 1.00 0.00 H new ATOM 0 HA LEU A 74 0.120 -6.718 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.838 -5.230 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.620 -5.976 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.814 -5.208 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.277 -3.285 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.926 -4.761 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.315 -3.496 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.240 -2.922 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.393 -3.125 -1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.867 -4.132 -2.719 1.00 0.00 H new ATOM 1102 N ARG A 75 0.087 -8.421 -1.709 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.772 -9.152 -2.639 1.00 0.00 C ATOM 1104 C ARG A 75 -1.654 -10.149 -1.894 1.00 0.00 C ATOM 1105 O ARG A 75 -2.828 -10.313 -2.220 1.00 0.00 O ATOM 1106 CB ARG A 75 0.068 -9.866 -3.704 1.00 0.00 C ATOM 1107 CG ARG A 75 0.709 -8.916 -4.702 1.00 0.00 C ATOM 1108 CD ARG A 75 1.441 -9.658 -5.808 1.00 0.00 C ATOM 1109 NE ARG A 75 0.522 -10.167 -6.827 1.00 0.00 N ATOM 1110 CZ ARG A 75 0.509 -9.759 -8.098 1.00 0.00 C ATOM 1111 NH1 ARG A 75 1.393 -8.862 -8.529 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -0.379 -10.266 -8.941 1.00 0.00 N ATOM 0 H ARG A 75 1.085 -8.526 -1.890 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.420 -8.432 -3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.849 -10.446 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.564 -10.573 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.059 -8.279 -5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.408 -8.261 -4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.166 -8.991 -6.274 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.002 -10.488 -5.378 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.152 -10.880 -6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.087 -8.481 -7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.376 -8.556 -9.502 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.048 -10.965 -8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.393 -9.958 -9.913 1.00 0.00 H new ATOM 1126 N GLU A 76 -1.096 -10.786 -0.871 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.843 -11.755 -0.080 1.00 0.00 C ATOM 1128 C GLU A 76 -2.961 -11.067 0.694 1.00 0.00 C ATOM 1129 O GLU A 76 -4.091 -11.560 0.746 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.912 -12.493 0.882 1.00 0.00 C ATOM 1131 CG GLU A 76 -0.049 -13.534 0.197 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.876 -14.546 -0.562 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -1.592 -15.341 0.085 1.00 0.00 O ATOM 1134 OE2 GLU A 76 -0.821 -14.550 -1.808 1.00 0.00 O ATOM 0 H GLU A 76 -0.131 -10.649 -0.571 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.288 -12.481 -0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.269 -11.769 1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.509 -12.977 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.639 -13.040 -0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.559 -14.048 0.942 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.648 -9.919 1.280 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.630 -9.161 2.043 1.00 0.00 C ATOM 1143 C ILE A 77 -4.719 -8.620 1.114 1.00 0.00 C ATOM 1144 O ILE A 77 -5.907 -8.661 1.435 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.962 -7.995 2.803 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.790 -8.513 3.645 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.978 -7.277 3.687 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.886 -7.417 4.166 1.00 0.00 C ATOM 0 H ILE A 77 -1.722 -9.493 1.242 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.082 -9.833 2.773 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.579 -7.281 2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.183 -9.080 4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.199 -9.204 3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.488 -6.459 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.782 -6.880 3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.391 -7.979 4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.080 -7.858 4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.464 -6.864 3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.462 -6.738 4.795 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.300 -8.143 -0.051 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.217 -7.597 -1.046 1.00 0.00 C ATOM 1162 C VAL A 78 -6.151 -8.683 -1.585 1.00 0.00 C ATOM 1163 O VAL A 78 -7.308 -8.416 -1.910 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.428 -6.943 -2.208 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.314 -6.689 -3.421 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.795 -5.642 -1.737 1.00 0.00 C ATOM 0 H VAL A 78 -3.320 -8.123 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.825 -6.834 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.646 -7.638 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.723 -6.230 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.725 -7.634 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.129 -6.021 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.242 -5.188 -2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.575 -4.958 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.114 -5.847 -0.911 1.00 0.00 H new ATOM 1176 N SER A 79 -5.651 -9.911 -1.641 1.00 0.00 N ATOM 1177 CA SER A 79 -6.430 -11.039 -2.134 1.00 0.00 C ATOM 1178 C SER A 79 -7.208 -11.712 -1.002 1.00 0.00 C ATOM 1179 O SER A 79 -7.742 -12.809 -1.171 1.00 0.00 O ATOM 1180 CB SER A 79 -5.505 -12.051 -2.811 1.00 0.00 C ATOM 1181 OG SER A 79 -4.658 -11.409 -3.752 1.00 0.00 O ATOM 0 H SER A 79 -4.704 -10.152 -1.349 1.00 0.00 H new ATOM 0 HA SER A 79 -7.151 -10.665 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.901 -12.559 -2.059 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.099 -12.815 -3.312 1.00 0.00 H new ATOM 0 HG SER A 79 -3.813 -11.166 -3.319 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.270 -11.054 0.150 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.985 -11.596 1.293 1.00 0.00 C ATOM 1189 C GLN A 80 -9.232 -10.768 1.578 1.00 0.00 C ATOM 1190 O GLN A 80 -9.317 -9.603 1.185 1.00 0.00 O ATOM 1191 CB GLN A 80 -7.070 -11.626 2.518 1.00 0.00 C ATOM 1192 CG GLN A 80 -7.022 -12.976 3.215 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.567 -14.105 2.303 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -7.036 -15.240 2.423 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.633 -13.815 1.410 1.00 0.00 N ATOM 0 H GLN A 80 -6.834 -10.147 0.314 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.294 -12.616 1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.061 -11.349 2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.406 -10.872 3.230 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.347 -12.913 4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.012 -13.211 3.607 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.270 -12.864 1.342 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.276 -14.543 0.791 1.00 0.00 H new ATOM 1204 N THR A 81 -10.205 -11.373 2.243 1.00 0.00 N ATOM 1205 CA THR A 81 -11.442 -10.680 2.567 1.00 0.00 C ATOM 1206 C THR A 81 -11.414 -10.151 3.997 1.00 0.00 C ATOM 1207 O THR A 81 -11.739 -10.869 4.945 1.00 0.00 O ATOM 1208 CB THR A 81 -12.660 -11.604 2.380 1.00 0.00 C ATOM 1209 OG1 THR A 81 -12.236 -12.880 1.873 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.663 -10.986 1.419 1.00 0.00 C ATOM 0 H THR A 81 -10.162 -12.339 2.568 1.00 0.00 H new ATOM 0 HA THR A 81 -11.532 -9.837 1.881 1.00 0.00 H new ATOM 0 HB THR A 81 -13.139 -11.737 3.350 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.016 -13.462 1.759 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.515 -11.656 1.302 1.00 0.00 H new ATOM 0 HG22 THR A 81 -14.005 -10.030 1.815 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.189 -10.829 0.450 1.00 0.00 H new ATOM 1218 N GLY A 82 -10.994 -8.904 4.149 1.00 0.00 N ATOM 1219 CA GLY A 82 -10.936 -8.299 5.463 1.00 0.00 C ATOM 1220 C GLY A 82 -10.596 -6.826 5.395 1.00 0.00 C ATOM 1221 O GLY A 82 -10.283 -6.315 4.318 1.00 0.00 O ATOM 0 H GLY A 82 -10.692 -8.300 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.896 -8.427 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.190 -8.816 6.067 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.653 -6.114 6.534 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.345 -4.683 6.588 1.00 0.00 C ATOM 1227 C PRO A 83 -8.857 -4.396 6.384 1.00 0.00 C ATOM 1228 O PRO A 83 -8.012 -4.794 7.193 1.00 0.00 O ATOM 1229 CB PRO A 83 -10.785 -4.277 7.997 1.00 0.00 C ATOM 1230 CG PRO A 83 -10.689 -5.529 8.800 1.00 0.00 C ATOM 1231 CD PRO A 83 -11.030 -6.649 7.858 1.00 0.00 C ATOM 0 HA PRO A 83 -10.848 -4.129 5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.142 -3.496 8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.802 -3.884 7.996 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.687 -5.655 9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.378 -5.505 9.644 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.476 -7.557 8.097 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.089 -6.902 7.902 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.543 -3.699 5.305 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.166 -3.364 4.990 1.00 0.00 C ATOM 1241 C ILE A 84 -6.799 -1.995 5.562 1.00 0.00 C ATOM 1242 O ILE A 84 -7.524 -1.017 5.386 1.00 0.00 O ATOM 1243 CB ILE A 84 -6.918 -3.390 3.463 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.141 -4.810 2.926 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.512 -2.908 3.131 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -6.971 -4.936 1.427 1.00 0.00 C ATOM 0 H ILE A 84 -9.226 -3.354 4.631 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.528 -4.118 5.451 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.625 -2.713 2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.443 -5.487 3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.146 -5.136 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.363 -2.936 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.384 -1.886 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.781 -3.556 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.145 -5.969 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.687 -4.286 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.958 -4.643 1.150 1.00 0.00 H new ATOM 1258 N SER A 85 -5.678 -1.943 6.266 1.00 0.00 N ATOM 1259 CA SER A 85 -5.207 -0.708 6.872 1.00 0.00 C ATOM 1260 C SER A 85 -3.820 -0.357 6.335 1.00 0.00 C ATOM 1261 O SER A 85 -2.860 -1.103 6.532 1.00 0.00 O ATOM 1262 CB SER A 85 -5.182 -0.860 8.392 1.00 0.00 C ATOM 1263 OG SER A 85 -6.335 -1.561 8.838 1.00 0.00 O ATOM 0 H SER A 85 -5.074 -2.748 6.432 1.00 0.00 H new ATOM 0 HA SER A 85 -5.886 0.105 6.616 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.283 -1.396 8.696 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.142 0.123 8.862 1.00 0.00 H new ATOM 0 HG SER A 85 -6.305 -1.653 9.813 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.727 0.775 5.651 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.472 1.212 5.061 1.00 0.00 C ATOM 1271 C LEU A 86 -1.871 2.382 5.830 1.00 0.00 C ATOM 1272 O LEU A 86 -2.535 3.393 6.061 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.688 1.629 3.601 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.372 0.593 2.709 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.931 1.255 1.460 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.398 -0.509 2.330 1.00 0.00 C ATOM 0 H LEU A 86 -4.510 1.409 5.491 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.779 0.372 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.283 2.542 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.719 1.873 3.165 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.197 0.150 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.415 0.504 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.660 2.014 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.120 1.723 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.902 -1.238 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.554 -0.079 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.038 -1.002 3.233 1.00 0.00 H new ATOM 1288 N THR A 87 -0.623 2.232 6.238 1.00 0.00 N ATOM 1289 CA THR A 87 0.082 3.284 6.951 1.00 0.00 C ATOM 1290 C THR A 87 1.059 3.967 5.995 1.00 0.00 C ATOM 1291 O THR A 87 2.045 3.361 5.575 1.00 0.00 O ATOM 1292 CB THR A 87 0.847 2.718 8.162 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.060 1.711 8.816 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.181 3.816 9.153 1.00 0.00 C ATOM 0 H THR A 87 -0.074 1.386 6.087 1.00 0.00 H new ATOM 0 HA THR A 87 -0.647 4.005 7.320 1.00 0.00 H new ATOM 0 HB THR A 87 1.776 2.278 7.798 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.133 0.867 8.323 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.721 3.391 9.999 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.802 4.568 8.667 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.260 4.280 9.506 1.00 0.00 H new ATOM 1302 N VAL A 88 0.773 5.215 5.638 1.00 0.00 N ATOM 1303 CA VAL A 88 1.614 5.952 4.703 1.00 0.00 C ATOM 1304 C VAL A 88 2.390 7.076 5.382 1.00 0.00 C ATOM 1305 O VAL A 88 2.008 7.559 6.448 1.00 0.00 O ATOM 1306 CB VAL A 88 0.784 6.553 3.547 1.00 0.00 C ATOM 1307 CG1 VAL A 88 0.197 5.454 2.679 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.322 7.457 4.078 1.00 0.00 C ATOM 0 H VAL A 88 -0.034 5.736 5.982 1.00 0.00 H new ATOM 0 HA VAL A 88 2.323 5.225 4.307 1.00 0.00 H new ATOM 0 HB VAL A 88 1.454 7.158 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.384 5.899 1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.003 4.853 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.451 4.819 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.890 7.866 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.987 6.880 4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.119 8.273 4.651 1.00 0.00 H new ATOM 1318 N ALA A 89 3.484 7.476 4.751 1.00 0.00 N ATOM 1319 CA ALA A 89 4.322 8.552 5.252 1.00 0.00 C ATOM 1320 C ALA A 89 4.416 9.664 4.214 1.00 0.00 C ATOM 1321 O ALA A 89 4.910 9.452 3.102 1.00 0.00 O ATOM 1322 CB ALA A 89 5.704 8.033 5.606 1.00 0.00 C ATOM 0 H ALA A 89 3.814 7.064 3.879 1.00 0.00 H new ATOM 0 HA ALA A 89 3.870 8.955 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.316 8.854 5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.618 7.265 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.171 7.607 4.718 1.00 0.00 H new ATOM 1328 N LYS A 90 3.919 10.833 4.574 1.00 0.00 N ATOM 1329 CA LYS A 90 3.934 11.983 3.682 1.00 0.00 C ATOM 1330 C LYS A 90 4.907 13.033 4.200 1.00 0.00 C ATOM 1331 O LYS A 90 4.787 13.410 5.385 1.00 0.00 O ATOM 1332 CB LYS A 90 2.527 12.581 3.567 1.00 0.00 C ATOM 1333 CG LYS A 90 1.429 11.536 3.419 1.00 0.00 C ATOM 1334 CD LYS A 90 0.045 12.148 3.563 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.276 13.096 2.418 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.330 12.392 1.110 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.786 13.473 3.429 1.00 0.00 O ATOM 0 H LYS A 90 3.496 11.014 5.485 1.00 0.00 H new ATOM 0 HA LYS A 90 4.259 11.657 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.325 13.185 4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.496 13.252 2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.514 11.055 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.563 10.759 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.701 11.354 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.018 12.686 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.233 13.582 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.478 13.882 2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.777 13.009 0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.635 12.155 0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.886 11.519 1.208 1.00 0.00 H new