USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 574 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 15 TYR OH : rot 111:sc= 0.591 USER MOD Set 1.2: A 18 LYS NZ :NH3+ -166:sc= 0.292 (180deg=0) USER MOD Set 2.1: A 1 MET CE :methyl -121:sc= -0.811 (180deg=-1.91!) USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= 0.00963 USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.376 (180deg=-0.377) USER MOD Single : A 4 THR OG1 : rot -110:sc= -0.682 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -156:sc= -1.23 USER MOD Single : A 25 MET CE :methyl -119:sc= -4.67! (180deg=-11.3!) USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.0501 (180deg=-0.583) USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= 0.354 (180deg=0.0286) USER MOD Single : A 32 THR OG1 : rot -173:sc= 0.645 USER MOD Single : A 35 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.1) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.149 K(o=0.15,f=-2.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 0.312 (180deg=0.294) USER MOD Single : A 47 LYS NZ :NH3+ -140:sc= -0.0364 (180deg=-0.339) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.64! USER MOD Single : A 51 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.0017) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.570 4.746 -1.005 1.00 0.00 N ATOM 2 CA MET A 1 4.942 3.434 -0.902 1.00 0.00 C ATOM 3 C MET A 1 5.974 2.323 -1.070 1.00 0.00 C ATOM 4 O MET A 1 5.860 1.260 -0.461 1.00 0.00 O ATOM 5 CB MET A 1 3.842 3.288 -1.955 1.00 0.00 C ATOM 6 CG MET A 1 4.336 3.471 -3.381 1.00 0.00 C ATOM 7 SD MET A 1 3.035 3.227 -4.604 1.00 0.00 S ATOM 8 CE MET A 1 2.381 4.888 -4.740 1.00 0.00 C ATOM 0 H1 MET A 1 4.858 5.486 -0.837 1.00 0.00 H new ATOM 0 H2 MET A 1 6.326 4.826 -0.295 1.00 0.00 H new ATOM 0 H3 MET A 1 5.974 4.864 -1.956 1.00 0.00 H new ATOM 0 HA MET A 1 4.499 3.347 0.090 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.389 2.301 -1.860 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.059 4.019 -1.754 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.750 4.473 -3.492 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.147 2.768 -3.573 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.322 4.885 -4.480 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.919 5.548 -4.060 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.503 5.244 -5.763 1.00 0.00 H new ATOM 18 N ASP A 2 6.980 2.577 -1.900 1.00 0.00 N ATOM 19 CA ASP A 2 8.032 1.598 -2.148 1.00 0.00 C ATOM 20 C ASP A 2 7.438 0.249 -2.540 1.00 0.00 C ATOM 21 O ASP A 2 7.482 -0.707 -1.766 1.00 0.00 O ATOM 22 CB ASP A 2 8.913 1.441 -0.908 1.00 0.00 C ATOM 23 CG ASP A 2 9.820 2.635 -0.687 1.00 0.00 C ATOM 24 OD1 ASP A 2 9.334 3.661 -0.167 1.00 0.00 O ATOM 25 OD2 ASP A 2 11.016 2.544 -1.032 1.00 0.00 O ATOM 0 H ASP A 2 7.089 3.452 -2.412 1.00 0.00 H new ATOM 0 HA ASP A 2 8.643 1.959 -2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.280 1.302 -0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.520 0.541 -1.009 1.00 0.00 H new ATOM 30 N GLU A 3 6.882 0.180 -3.745 1.00 0.00 N ATOM 31 CA GLU A 3 6.277 -1.052 -4.238 1.00 0.00 C ATOM 32 C GLU A 3 7.331 -1.965 -4.859 1.00 0.00 C ATOM 33 O GLU A 3 8.078 -1.556 -5.748 1.00 0.00 O ATOM 34 CB GLU A 3 5.190 -0.737 -5.267 1.00 0.00 C ATOM 35 CG GLU A 3 3.832 -0.449 -4.650 1.00 0.00 C ATOM 36 CD GLU A 3 3.070 -1.713 -4.301 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.747 -2.486 -5.227 1.00 0.00 O ATOM 38 OE2 GLU A 3 2.799 -1.930 -3.101 1.00 0.00 O ATOM 0 H GLU A 3 6.838 0.962 -4.398 1.00 0.00 H new ATOM 0 HA GLU A 3 5.826 -1.569 -3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.501 0.124 -5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.097 -1.579 -5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.966 0.150 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.240 0.147 -5.345 1.00 0.00 H new ATOM 45 N THR A 4 7.386 -3.205 -4.382 1.00 0.00 N ATOM 46 CA THR A 4 8.349 -4.176 -4.887 1.00 0.00 C ATOM 47 C THR A 4 8.188 -5.522 -4.191 1.00 0.00 C ATOM 48 O THR A 4 8.482 -5.657 -3.004 1.00 0.00 O ATOM 49 CB THR A 4 9.796 -3.682 -4.699 1.00 0.00 C ATOM 50 OG1 THR A 4 10.716 -4.740 -4.991 1.00 0.00 O ATOM 51 CG2 THR A 4 10.018 -3.187 -3.278 1.00 0.00 C ATOM 0 H THR A 4 6.775 -3.560 -3.647 1.00 0.00 H new ATOM 0 HA THR A 4 8.150 -4.295 -5.952 1.00 0.00 H new ATOM 0 HB THR A 4 9.966 -2.853 -5.386 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.146 -5.037 -4.162 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.047 -2.843 -3.169 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.336 -2.363 -3.069 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.831 -4.000 -2.576 1.00 0.00 H new ATOM 59 N GLY A 5 7.721 -6.518 -4.938 1.00 0.00 N ATOM 60 CA GLY A 5 7.530 -7.842 -4.375 1.00 0.00 C ATOM 61 C GLY A 5 7.936 -8.943 -5.334 1.00 0.00 C ATOM 62 O GLY A 5 7.480 -10.081 -5.214 1.00 0.00 O ATOM 0 H GLY A 5 7.472 -6.431 -5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.112 -7.931 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.482 -7.970 -4.102 1.00 0.00 H new ATOM 66 N LYS A 6 8.794 -8.607 -6.290 1.00 0.00 N ATOM 67 CA LYS A 6 9.262 -9.575 -7.275 1.00 0.00 C ATOM 68 C LYS A 6 10.771 -9.465 -7.471 1.00 0.00 C ATOM 69 O LYS A 6 11.485 -10.467 -7.432 1.00 0.00 O ATOM 70 CB LYS A 6 8.546 -9.362 -8.610 1.00 0.00 C ATOM 71 CG LYS A 6 7.292 -8.512 -8.499 1.00 0.00 C ATOM 72 CD LYS A 6 7.614 -7.029 -8.583 1.00 0.00 C ATOM 73 CE LYS A 6 6.421 -6.177 -8.178 1.00 0.00 C ATOM 74 NZ LYS A 6 5.296 -6.301 -9.146 1.00 0.00 N ATOM 0 H LYS A 6 9.180 -7.670 -6.404 1.00 0.00 H new ATOM 0 HA LYS A 6 9.034 -10.574 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.234 -8.889 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.281 -10.333 -9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.598 -8.780 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.790 -8.723 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.461 -6.802 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.914 -6.777 -9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.081 -6.476 -7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.727 -5.133 -8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.503 -5.705 -8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.612 -5.992 -10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.986 -7.293 -9.193 1.00 0.00 H new ATOM 88 N GLU A 7 11.249 -8.243 -7.682 1.00 0.00 N ATOM 89 CA GLU A 7 12.673 -8.004 -7.884 1.00 0.00 C ATOM 90 C GLU A 7 12.951 -6.518 -8.092 1.00 0.00 C ATOM 91 O GLU A 7 12.031 -5.725 -8.295 1.00 0.00 O ATOM 92 CB GLU A 7 13.181 -8.803 -9.086 1.00 0.00 C ATOM 93 CG GLU A 7 14.175 -9.891 -8.717 1.00 0.00 C ATOM 94 CD GLU A 7 15.405 -9.345 -8.017 1.00 0.00 C ATOM 95 OE1 GLU A 7 16.077 -8.467 -8.597 1.00 0.00 O ATOM 96 OE2 GLU A 7 15.695 -9.797 -6.889 1.00 0.00 O ATOM 0 H GLU A 7 10.671 -7.403 -7.718 1.00 0.00 H new ATOM 0 HA GLU A 7 13.201 -8.333 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.331 -9.257 -9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.649 -8.120 -9.794 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.687 -10.620 -8.070 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.480 -10.420 -9.620 1.00 0.00 H new ATOM 103 N LEU A 8 14.226 -6.148 -8.039 1.00 0.00 N ATOM 104 CA LEU A 8 14.628 -4.758 -8.221 1.00 0.00 C ATOM 105 C LEU A 8 15.993 -4.669 -8.896 1.00 0.00 C ATOM 106 O LEU A 8 16.868 -5.502 -8.661 1.00 0.00 O ATOM 107 CB LEU A 8 14.665 -4.037 -6.872 1.00 0.00 C ATOM 108 CG LEU A 8 13.327 -3.503 -6.359 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.313 -3.470 -4.839 1.00 0.00 C ATOM 110 CD2 LEU A 8 13.051 -2.119 -6.927 1.00 0.00 C ATOM 0 H LEU A 8 14.999 -6.792 -7.871 1.00 0.00 H new ATOM 0 HA LEU A 8 13.893 -4.274 -8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.069 -4.723 -6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.362 -3.202 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 8 12.537 -4.175 -6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.353 -3.087 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.463 -4.478 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.113 -2.821 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.095 -1.755 -6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.844 -1.436 -6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.016 -2.173 -8.015 1.00 0.00 H new ATOM 122 N VAL A 9 16.167 -3.652 -9.734 1.00 0.00 N ATOM 123 CA VAL A 9 17.427 -3.452 -10.441 1.00 0.00 C ATOM 124 C VAL A 9 18.068 -2.124 -10.055 1.00 0.00 C ATOM 125 O VAL A 9 17.377 -1.127 -9.840 1.00 0.00 O ATOM 126 CB VAL A 9 17.226 -3.488 -11.967 1.00 0.00 C ATOM 127 CG1 VAL A 9 16.544 -4.782 -12.386 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.423 -2.280 -12.427 1.00 0.00 C ATOM 0 H VAL A 9 15.452 -2.954 -9.940 1.00 0.00 H new ATOM 0 HA VAL A 9 18.087 -4.269 -10.150 1.00 0.00 H new ATOM 0 HB VAL A 9 18.205 -3.450 -12.446 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.410 -4.789 -13.468 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.161 -5.631 -12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.571 -4.854 -11.900 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.290 -2.322 -13.508 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.447 -2.285 -11.941 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.955 -1.367 -12.162 1.00 0.00 H new ATOM 138 N LEU A 10 19.394 -2.116 -9.968 1.00 0.00 N ATOM 139 CA LEU A 10 20.131 -0.910 -9.609 1.00 0.00 C ATOM 140 C LEU A 10 20.591 -0.161 -10.855 1.00 0.00 C ATOM 141 O LEU A 10 21.209 -0.741 -11.747 1.00 0.00 O ATOM 142 CB LEU A 10 21.338 -1.266 -8.739 1.00 0.00 C ATOM 143 CG LEU A 10 22.364 -0.152 -8.528 1.00 0.00 C ATOM 144 CD1 LEU A 10 21.707 1.069 -7.905 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.513 -0.644 -7.659 1.00 0.00 C ATOM 0 H LEU A 10 19.981 -2.932 -10.141 1.00 0.00 H new ATOM 0 HA LEU A 10 19.462 -0.261 -9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.975 -1.588 -7.763 1.00 0.00 H new ATOM 0 HB3 LEU A 10 21.845 -2.120 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 10 22.766 0.135 -9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.453 1.851 -7.763 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.920 1.435 -8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.277 0.798 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.234 0.161 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.127 -0.958 -6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.002 -1.488 -8.146 1.00 0.00 H new ATOM 157 N ALA A 11 20.286 1.132 -10.909 1.00 0.00 N ATOM 158 CA ALA A 11 20.672 1.961 -12.044 1.00 0.00 C ATOM 159 C ALA A 11 22.151 2.324 -11.981 1.00 0.00 C ATOM 160 O ALA A 11 22.516 3.411 -11.530 1.00 0.00 O ATOM 161 CB ALA A 11 19.819 3.220 -12.092 1.00 0.00 C ATOM 0 H ALA A 11 19.773 1.627 -10.180 1.00 0.00 H new ATOM 0 HA ALA A 11 20.505 1.387 -12.955 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.118 3.830 -12.944 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.769 2.945 -12.193 1.00 0.00 H new ATOM 0 HB3 ALA A 11 19.958 3.789 -11.173 1.00 0.00 H new ATOM 167 N LEU A 12 23.000 1.408 -12.434 1.00 0.00 N ATOM 168 CA LEU A 12 24.442 1.632 -12.428 1.00 0.00 C ATOM 169 C LEU A 12 24.791 2.951 -13.109 1.00 0.00 C ATOM 170 O LEU A 12 25.584 3.738 -12.591 1.00 0.00 O ATOM 171 CB LEU A 12 25.160 0.477 -13.129 1.00 0.00 C ATOM 172 CG LEU A 12 24.798 -0.929 -12.649 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.439 -1.979 -13.541 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.223 -1.124 -11.201 1.00 0.00 C ATOM 0 H LEU A 12 22.715 0.504 -12.810 1.00 0.00 H new ATOM 0 HA LEU A 12 24.773 1.682 -11.391 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.950 0.540 -14.197 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.234 0.616 -13.007 1.00 0.00 H new ATOM 0 HG LEU A 12 23.716 -1.045 -12.708 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.170 -2.973 -13.184 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.085 -1.853 -14.564 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.523 -1.865 -13.516 1.00 0.00 H new ATOM 0 HD21 LEU A 12 24.958 -2.130 -10.876 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.301 -0.988 -11.117 1.00 0.00 H new ATOM 0 HD23 LEU A 12 24.715 -0.394 -10.571 1.00 0.00 H new ATOM 186 N TYR A 13 24.193 3.187 -14.271 1.00 0.00 N ATOM 187 CA TYR A 13 24.441 4.411 -15.024 1.00 0.00 C ATOM 188 C TYR A 13 23.139 5.162 -15.286 1.00 0.00 C ATOM 189 O TYR A 13 22.060 4.570 -15.304 1.00 0.00 O ATOM 190 CB TYR A 13 25.133 4.089 -16.349 1.00 0.00 C ATOM 191 CG TYR A 13 26.520 3.512 -16.183 1.00 0.00 C ATOM 192 CD1 TYR A 13 27.616 4.338 -15.964 1.00 0.00 C ATOM 193 CD2 TYR A 13 26.736 2.141 -16.247 1.00 0.00 C ATOM 194 CE1 TYR A 13 28.886 3.815 -15.812 1.00 0.00 C ATOM 195 CE2 TYR A 13 28.002 1.609 -16.095 1.00 0.00 C ATOM 196 CZ TYR A 13 29.073 2.450 -15.878 1.00 0.00 C ATOM 197 OH TYR A 13 30.336 1.924 -15.727 1.00 0.00 O ATOM 0 H TYR A 13 23.533 2.547 -14.712 1.00 0.00 H new ATOM 0 HA TYR A 13 25.094 5.048 -14.427 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.519 3.382 -16.907 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.196 4.998 -16.947 1.00 0.00 H new ATOM 0 HD1 TYR A 13 27.473 5.407 -15.912 1.00 0.00 H new ATOM 0 HD2 TYR A 13 25.900 1.480 -16.419 1.00 0.00 H new ATOM 0 HE1 TYR A 13 29.727 4.471 -15.643 1.00 0.00 H new ATOM 0 HE2 TYR A 13 28.152 0.541 -16.146 1.00 0.00 H new ATOM 0 HH TYR A 13 30.294 0.948 -15.799 1.00 0.00 H new ATOM 207 N ASP A 14 23.249 6.470 -15.490 1.00 0.00 N ATOM 208 CA ASP A 14 22.082 7.304 -15.754 1.00 0.00 C ATOM 209 C ASP A 14 21.545 7.058 -17.160 1.00 0.00 C ATOM 210 O ASP A 14 22.263 6.570 -18.033 1.00 0.00 O ATOM 211 CB ASP A 14 22.435 8.782 -15.581 1.00 0.00 C ATOM 212 CG ASP A 14 23.560 9.220 -16.498 1.00 0.00 C ATOM 213 OD1 ASP A 14 24.666 8.648 -16.396 1.00 0.00 O ATOM 214 OD2 ASP A 14 23.335 10.134 -17.318 1.00 0.00 O ATOM 0 H ASP A 14 24.135 6.976 -15.478 1.00 0.00 H new ATOM 0 HA ASP A 14 21.306 7.037 -15.036 1.00 0.00 H new ATOM 0 HB2 ASP A 14 21.552 9.389 -15.779 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.722 8.965 -14.546 1.00 0.00 H new ATOM 219 N TYR A 15 20.278 7.398 -17.371 1.00 0.00 N ATOM 220 CA TYR A 15 19.644 7.210 -18.671 1.00 0.00 C ATOM 221 C TYR A 15 18.700 8.367 -18.988 1.00 0.00 C ATOM 222 O TYR A 15 18.444 9.222 -18.141 1.00 0.00 O ATOM 223 CB TYR A 15 18.876 5.888 -18.701 1.00 0.00 C ATOM 224 CG TYR A 15 18.718 5.311 -20.089 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.815 5.156 -20.927 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.471 4.921 -20.564 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.676 4.630 -22.197 1.00 0.00 C ATOM 228 CE2 TYR A 15 17.323 4.392 -21.831 1.00 0.00 C ATOM 229 CZ TYR A 15 18.428 4.249 -22.644 1.00 0.00 C ATOM 230 OH TYR A 15 18.284 3.725 -23.908 1.00 0.00 O ATOM 0 H TYR A 15 19.670 7.805 -16.660 1.00 0.00 H new ATOM 0 HA TYR A 15 20.427 7.185 -19.429 1.00 0.00 H new ATOM 0 HB2 TYR A 15 19.393 5.163 -18.072 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.888 6.041 -18.266 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.794 5.452 -20.580 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.603 5.034 -19.931 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.539 4.518 -22.836 1.00 0.00 H new ATOM 0 HE2 TYR A 15 16.347 4.092 -22.183 1.00 0.00 H new ATOM 0 HH TYR A 15 18.059 2.773 -23.844 1.00 0.00 H new ATOM 240 N GLN A 16 18.187 8.383 -20.214 1.00 0.00 N ATOM 241 CA GLN A 16 17.271 9.434 -20.643 1.00 0.00 C ATOM 242 C GLN A 16 16.270 8.900 -21.662 1.00 0.00 C ATOM 243 O GLN A 16 16.560 8.837 -22.857 1.00 0.00 O ATOM 244 CB GLN A 16 18.051 10.606 -21.242 1.00 0.00 C ATOM 245 CG GLN A 16 17.708 11.948 -20.617 1.00 0.00 C ATOM 246 CD GLN A 16 18.802 12.463 -19.703 1.00 0.00 C ATOM 247 OE1 GLN A 16 19.952 12.616 -20.116 1.00 0.00 O ATOM 248 NE2 GLN A 16 18.449 12.733 -18.452 1.00 0.00 N ATOM 0 H GLN A 16 18.389 7.682 -20.927 1.00 0.00 H new ATOM 0 HA GLN A 16 16.721 9.782 -19.769 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.118 10.421 -21.121 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.855 10.653 -22.313 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.527 12.677 -21.407 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.781 11.855 -20.051 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.484 12.591 -18.152 1.00 0.00 H new ATOM 0 HE22 GLN A 16 19.142 13.082 -17.790 1.00 0.00 H new ATOM 257 N GLU A 17 15.091 8.517 -21.182 1.00 0.00 N ATOM 258 CA GLU A 17 14.048 7.988 -22.052 1.00 0.00 C ATOM 259 C GLU A 17 13.789 8.928 -23.226 1.00 0.00 C ATOM 260 O GLU A 17 13.906 10.147 -23.097 1.00 0.00 O ATOM 261 CB GLU A 17 12.755 7.772 -21.263 1.00 0.00 C ATOM 262 CG GLU A 17 12.170 9.052 -20.690 1.00 0.00 C ATOM 263 CD GLU A 17 11.365 9.833 -21.711 1.00 0.00 C ATOM 264 OE1 GLU A 17 10.806 9.202 -22.633 1.00 0.00 O ATOM 265 OE2 GLU A 17 11.293 11.073 -21.588 1.00 0.00 O ATOM 0 H GLU A 17 14.835 8.563 -20.196 1.00 0.00 H new ATOM 0 HA GLU A 17 14.390 7.030 -22.444 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.016 7.304 -21.914 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.949 7.075 -20.448 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.533 8.807 -19.840 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.978 9.679 -20.313 1.00 0.00 H new ATOM 272 N LYS A 18 13.436 8.353 -24.370 1.00 0.00 N ATOM 273 CA LYS A 18 13.160 9.137 -25.568 1.00 0.00 C ATOM 274 C LYS A 18 11.702 8.986 -25.993 1.00 0.00 C ATOM 275 O LYS A 18 11.155 9.845 -26.684 1.00 0.00 O ATOM 276 CB LYS A 18 14.082 8.705 -26.710 1.00 0.00 C ATOM 277 CG LYS A 18 14.159 7.200 -26.894 1.00 0.00 C ATOM 278 CD LYS A 18 15.358 6.610 -26.171 1.00 0.00 C ATOM 279 CE LYS A 18 15.914 5.401 -26.907 1.00 0.00 C ATOM 280 NZ LYS A 18 17.278 5.040 -26.431 1.00 0.00 N ATOM 0 H LYS A 18 13.334 7.346 -24.493 1.00 0.00 H new ATOM 0 HA LYS A 18 13.346 10.186 -25.336 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.734 9.159 -27.638 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.084 9.091 -26.523 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.245 6.740 -26.520 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.222 6.965 -27.957 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.135 7.368 -26.075 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.069 6.321 -25.161 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.245 4.552 -26.768 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.946 5.610 -27.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.716 4.377 -27.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.861 5.899 -26.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.212 4.592 -25.495 1.00 0.00 H new ATOM 294 N SER A 19 11.079 7.890 -25.573 1.00 0.00 N ATOM 295 CA SER A 19 9.685 7.626 -25.912 1.00 0.00 C ATOM 296 C SER A 19 8.835 7.496 -24.652 1.00 0.00 C ATOM 297 O SER A 19 9.339 7.260 -23.554 1.00 0.00 O ATOM 298 CB SER A 19 9.575 6.350 -26.749 1.00 0.00 C ATOM 299 OG SER A 19 9.621 6.644 -28.134 1.00 0.00 O ATOM 0 H SER A 19 11.517 7.171 -24.998 1.00 0.00 H new ATOM 0 HA SER A 19 9.313 8.468 -26.495 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.387 5.671 -26.491 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.643 5.836 -26.514 1.00 0.00 H new ATOM 0 HG SER A 19 9.551 5.812 -28.647 1.00 0.00 H new ATOM 305 N PRO A 20 7.513 7.655 -24.813 1.00 0.00 N ATOM 306 CA PRO A 20 6.563 7.560 -23.700 1.00 0.00 C ATOM 307 C PRO A 20 6.427 6.135 -23.174 1.00 0.00 C ATOM 308 O PRO A 20 6.023 5.921 -22.031 1.00 0.00 O ATOM 309 CB PRO A 20 5.244 8.029 -24.318 1.00 0.00 C ATOM 310 CG PRO A 20 5.386 7.747 -25.774 1.00 0.00 C ATOM 311 CD PRO A 20 6.843 7.939 -26.093 1.00 0.00 C ATOM 0 HA PRO A 20 6.881 8.151 -22.841 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.395 7.494 -23.892 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.076 9.090 -24.135 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.066 6.732 -26.008 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.765 8.421 -26.364 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.175 7.261 -26.879 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.049 8.952 -26.438 1.00 0.00 H new ATOM 319 N ARG A 21 6.768 5.164 -24.015 1.00 0.00 N ATOM 320 CA ARG A 21 6.683 3.759 -23.634 1.00 0.00 C ATOM 321 C ARG A 21 7.915 3.335 -22.840 1.00 0.00 C ATOM 322 O ARG A 21 7.847 2.433 -22.006 1.00 0.00 O ATOM 323 CB ARG A 21 6.538 2.880 -24.878 1.00 0.00 C ATOM 324 CG ARG A 21 5.722 1.619 -24.640 1.00 0.00 C ATOM 325 CD ARG A 21 5.403 0.908 -25.946 1.00 0.00 C ATOM 326 NE ARG A 21 4.379 1.610 -26.716 1.00 0.00 N ATOM 327 CZ ARG A 21 3.908 1.177 -27.880 1.00 0.00 C ATOM 328 NH1 ARG A 21 4.367 0.049 -28.405 1.00 0.00 N ATOM 329 NH2 ARG A 21 2.976 1.871 -28.520 1.00 0.00 N ATOM 0 H ARG A 21 7.106 5.324 -24.964 1.00 0.00 H new ATOM 0 HA ARG A 21 5.804 3.632 -23.002 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.069 3.462 -25.671 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.530 2.600 -25.232 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.273 0.946 -23.983 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.795 1.875 -24.128 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.311 0.823 -26.543 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.065 -0.106 -25.733 1.00 0.00 H new ATOM 0 HE ARG A 21 4.005 2.481 -26.339 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.083 -0.487 -27.915 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.004 -0.282 -29.299 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.620 2.738 -28.118 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.615 1.537 -29.414 1.00 0.00 H new ATOM 343 N GLU A 22 9.039 3.993 -23.106 1.00 0.00 N ATOM 344 CA GLU A 22 10.286 3.683 -22.417 1.00 0.00 C ATOM 345 C GLU A 22 10.385 4.449 -21.100 1.00 0.00 C ATOM 346 O GLU A 22 9.597 5.357 -20.837 1.00 0.00 O ATOM 347 CB GLU A 22 11.485 4.020 -23.306 1.00 0.00 C ATOM 348 CG GLU A 22 12.741 3.241 -22.957 1.00 0.00 C ATOM 349 CD GLU A 22 13.629 2.995 -24.161 1.00 0.00 C ATOM 350 OE1 GLU A 22 13.457 3.697 -25.179 1.00 0.00 O ATOM 351 OE2 GLU A 22 14.497 2.100 -24.085 1.00 0.00 O ATOM 0 H GLU A 22 9.112 4.743 -23.793 1.00 0.00 H new ATOM 0 HA GLU A 22 10.294 2.615 -22.199 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.223 3.822 -24.345 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.696 5.087 -23.228 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.304 3.787 -22.201 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.460 2.285 -22.516 1.00 0.00 H new ATOM 358 N VAL A 23 11.359 4.075 -20.277 1.00 0.00 N ATOM 359 CA VAL A 23 11.562 4.725 -18.988 1.00 0.00 C ATOM 360 C VAL A 23 13.005 5.193 -18.829 1.00 0.00 C ATOM 361 O VAL A 23 13.827 5.023 -19.730 1.00 0.00 O ATOM 362 CB VAL A 23 11.208 3.784 -17.821 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.700 3.686 -17.652 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.818 2.408 -18.045 1.00 0.00 C ATOM 0 H VAL A 23 12.020 3.325 -20.480 1.00 0.00 H new ATOM 0 HA VAL A 23 10.898 5.589 -18.962 1.00 0.00 H new ATOM 0 HB VAL A 23 11.626 4.198 -16.903 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.470 3.017 -16.823 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.292 4.675 -17.444 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.256 3.295 -18.568 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.559 1.755 -17.212 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.431 1.985 -18.972 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.902 2.497 -18.112 1.00 0.00 H new ATOM 374 N THR A 24 13.307 5.783 -17.677 1.00 0.00 N ATOM 375 CA THR A 24 14.650 6.276 -17.399 1.00 0.00 C ATOM 376 C THR A 24 15.053 5.993 -15.957 1.00 0.00 C ATOM 377 O THR A 24 14.223 5.601 -15.136 1.00 0.00 O ATOM 378 CB THR A 24 14.759 7.789 -17.663 1.00 0.00 C ATOM 379 OG1 THR A 24 16.123 8.146 -17.914 1.00 0.00 O ATOM 380 CG2 THR A 24 14.230 8.584 -16.479 1.00 0.00 C ATOM 0 H THR A 24 12.639 5.931 -16.921 1.00 0.00 H new ATOM 0 HA THR A 24 15.325 5.748 -18.072 1.00 0.00 H new ATOM 0 HB THR A 24 14.155 8.027 -18.539 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.255 9.096 -17.712 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.317 9.650 -16.688 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.183 8.332 -16.310 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.810 8.340 -15.589 1.00 0.00 H new ATOM 388 N MET A 25 16.331 6.195 -15.653 1.00 0.00 N ATOM 389 CA MET A 25 16.842 5.963 -14.307 1.00 0.00 C ATOM 390 C MET A 25 18.078 6.816 -14.041 1.00 0.00 C ATOM 391 O MET A 25 18.728 7.293 -14.971 1.00 0.00 O ATOM 392 CB MET A 25 17.179 4.483 -14.115 1.00 0.00 C ATOM 393 CG MET A 25 18.289 3.988 -15.028 1.00 0.00 C ATOM 394 SD MET A 25 17.671 3.391 -16.612 1.00 0.00 S ATOM 395 CE MET A 25 19.138 2.606 -17.274 1.00 0.00 C ATOM 0 H MET A 25 17.031 6.519 -16.320 1.00 0.00 H new ATOM 0 HA MET A 25 16.066 6.247 -13.596 1.00 0.00 H new ATOM 0 HB2 MET A 25 17.472 4.317 -13.078 1.00 0.00 H new ATOM 0 HB3 MET A 25 16.282 3.889 -14.292 1.00 0.00 H new ATOM 0 HG2 MET A 25 18.999 4.796 -15.201 1.00 0.00 H new ATOM 0 HG3 MET A 25 18.834 3.186 -14.529 1.00 0.00 H new ATOM 0 HE1 MET A 25 19.424 3.096 -18.205 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.952 2.691 -16.554 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.932 1.553 -17.466 1.00 0.00 H new ATOM 405 N LYS A 26 18.397 7.005 -12.765 1.00 0.00 N ATOM 406 CA LYS A 26 19.555 7.801 -12.375 1.00 0.00 C ATOM 407 C LYS A 26 20.583 6.943 -11.643 1.00 0.00 C ATOM 408 O LYS A 26 20.248 5.901 -11.079 1.00 0.00 O ATOM 409 CB LYS A 26 19.122 8.968 -11.485 1.00 0.00 C ATOM 410 CG LYS A 26 20.153 10.080 -11.396 1.00 0.00 C ATOM 411 CD LYS A 26 19.493 11.444 -11.282 1.00 0.00 C ATOM 412 CE LYS A 26 19.206 12.040 -12.651 1.00 0.00 C ATOM 413 NZ LYS A 26 17.847 11.676 -13.140 1.00 0.00 N ATOM 0 H LYS A 26 17.869 6.617 -11.983 1.00 0.00 H new ATOM 0 HA LYS A 26 20.015 8.195 -13.281 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.188 9.379 -11.868 1.00 0.00 H new ATOM 0 HB3 LYS A 26 18.917 8.593 -10.482 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.796 9.913 -10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 26 20.792 10.057 -12.279 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.563 11.354 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 26 20.140 12.117 -10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.295 13.125 -12.601 1.00 0.00 H new ATOM 0 HE3 LYS A 26 19.954 11.691 -13.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.554 12.345 -13.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.865 10.713 -13.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.172 11.716 -12.350 1.00 0.00 H new ATOM 427 N LYS A 27 21.834 7.388 -11.655 1.00 0.00 N ATOM 428 CA LYS A 27 22.911 6.664 -10.990 1.00 0.00 C ATOM 429 C LYS A 27 22.587 6.440 -9.517 1.00 0.00 C ATOM 430 O LYS A 27 22.582 7.379 -8.722 1.00 0.00 O ATOM 431 CB LYS A 27 24.228 7.432 -11.123 1.00 0.00 C ATOM 432 CG LYS A 27 25.168 6.852 -12.165 1.00 0.00 C ATOM 433 CD LYS A 27 25.297 7.767 -13.371 1.00 0.00 C ATOM 434 CE LYS A 27 26.053 9.041 -13.026 1.00 0.00 C ATOM 435 NZ LYS A 27 26.619 9.695 -14.238 1.00 0.00 N ATOM 0 H LYS A 27 22.128 8.248 -12.118 1.00 0.00 H new ATOM 0 HA LYS A 27 23.014 5.692 -11.473 1.00 0.00 H new ATOM 0 HB2 LYS A 27 24.010 8.469 -11.380 1.00 0.00 H new ATOM 0 HB3 LYS A 27 24.732 7.442 -10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 27 26.151 6.693 -11.721 1.00 0.00 H new ATOM 0 HG3 LYS A 27 24.801 5.877 -12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 27 25.814 7.242 -14.174 1.00 0.00 H new ATOM 0 HD3 LYS A 27 24.305 8.021 -13.744 1.00 0.00 H new ATOM 0 HE2 LYS A 27 25.383 9.735 -12.518 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.858 8.808 -12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.585 10.728 -14.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.606 9.393 -14.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.062 9.421 -15.072 1.00 0.00 H new ATOM 449 N GLY A 28 22.318 5.188 -9.158 1.00 0.00 N ATOM 450 CA GLY A 28 21.998 4.863 -7.781 1.00 0.00 C ATOM 451 C GLY A 28 20.509 4.697 -7.555 1.00 0.00 C ATOM 452 O GLY A 28 20.047 4.663 -6.414 1.00 0.00 O ATOM 0 H GLY A 28 22.316 4.393 -9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.510 3.943 -7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.376 5.650 -7.128 1.00 0.00 H new ATOM 456 N ASP A 29 19.755 4.594 -8.644 1.00 0.00 N ATOM 457 CA ASP A 29 18.308 4.431 -8.560 1.00 0.00 C ATOM 458 C ASP A 29 17.930 2.955 -8.503 1.00 0.00 C ATOM 459 O ASP A 29 18.739 2.084 -8.824 1.00 0.00 O ATOM 460 CB ASP A 29 17.628 5.099 -9.756 1.00 0.00 C ATOM 461 CG ASP A 29 16.131 5.245 -9.563 1.00 0.00 C ATOM 462 OD1 ASP A 29 15.677 5.215 -8.401 1.00 0.00 O ATOM 463 OD2 ASP A 29 15.413 5.388 -10.576 1.00 0.00 O ATOM 0 H ASP A 29 20.122 4.620 -9.595 1.00 0.00 H new ATOM 0 HA ASP A 29 17.966 4.911 -7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.068 6.083 -9.918 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.820 4.512 -10.654 1.00 0.00 H new ATOM 468 N ILE A 30 16.697 2.680 -8.091 1.00 0.00 N ATOM 469 CA ILE A 30 16.212 1.309 -7.992 1.00 0.00 C ATOM 470 C ILE A 30 14.837 1.164 -8.634 1.00 0.00 C ATOM 471 O ILE A 30 13.892 1.865 -8.269 1.00 0.00 O ATOM 472 CB ILE A 30 16.133 0.844 -6.525 1.00 0.00 C ATOM 473 CG1 ILE A 30 17.431 1.184 -5.790 1.00 0.00 C ATOM 474 CG2 ILE A 30 15.855 -0.650 -6.458 1.00 0.00 C ATOM 475 CD1 ILE A 30 17.407 0.818 -4.322 1.00 0.00 C ATOM 0 H ILE A 30 16.015 3.389 -7.820 1.00 0.00 H new ATOM 0 HA ILE A 30 16.927 0.683 -8.525 1.00 0.00 H new ATOM 0 HB ILE A 30 15.312 1.368 -6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.259 0.665 -6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.625 2.252 -5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 30 15.802 -0.964 -5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.907 -0.866 -6.951 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.657 -1.192 -6.960 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.359 1.087 -3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 30 16.600 1.358 -3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.244 -0.255 -4.217 1.00 0.00 H new ATOM 487 N LEU A 31 14.730 0.250 -9.591 1.00 0.00 N ATOM 488 CA LEU A 31 13.469 0.010 -10.284 1.00 0.00 C ATOM 489 C LEU A 31 13.007 -1.430 -10.092 1.00 0.00 C ATOM 490 O LEU A 31 13.791 -2.370 -10.229 1.00 0.00 O ATOM 491 CB LEU A 31 13.618 0.315 -11.776 1.00 0.00 C ATOM 492 CG LEU A 31 14.643 1.389 -12.142 1.00 0.00 C ATOM 493 CD1 LEU A 31 14.747 1.535 -13.652 1.00 0.00 C ATOM 494 CD2 LEU A 31 14.276 2.719 -11.500 1.00 0.00 C ATOM 0 H LEU A 31 15.502 -0.338 -9.905 1.00 0.00 H new ATOM 0 HA LEU A 31 12.717 0.673 -9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.889 -0.607 -12.290 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.646 0.622 -12.163 1.00 0.00 H new ATOM 0 HG LEU A 31 15.616 1.080 -11.759 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.481 2.304 -13.894 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.058 0.586 -14.089 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.776 1.820 -14.058 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.017 3.471 -11.772 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.294 3.034 -11.852 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.254 2.606 -10.416 1.00 0.00 H new ATOM 506 N THR A 32 11.726 -1.599 -9.775 1.00 0.00 N ATOM 507 CA THR A 32 11.159 -2.924 -9.565 1.00 0.00 C ATOM 508 C THR A 32 11.110 -3.714 -10.867 1.00 0.00 C ATOM 509 O THR A 32 10.481 -3.292 -11.839 1.00 0.00 O ATOM 510 CB THR A 32 9.738 -2.840 -8.975 1.00 0.00 C ATOM 511 OG1 THR A 32 9.779 -2.216 -7.687 1.00 0.00 O ATOM 512 CG2 THR A 32 9.120 -4.225 -8.854 1.00 0.00 C ATOM 0 H THR A 32 11.062 -0.833 -9.658 1.00 0.00 H new ATOM 0 HA THR A 32 11.809 -3.437 -8.856 1.00 0.00 H new ATOM 0 HB THR A 32 9.123 -2.243 -9.648 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.893 -2.264 -7.272 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.117 -4.141 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.064 -4.686 -9.840 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.736 -4.842 -8.200 1.00 0.00 H new ATOM 520 N LEU A 33 11.776 -4.863 -10.882 1.00 0.00 N ATOM 521 CA LEU A 33 11.808 -5.714 -12.067 1.00 0.00 C ATOM 522 C LEU A 33 10.443 -6.345 -12.322 1.00 0.00 C ATOM 523 O LEU A 33 9.806 -6.865 -11.404 1.00 0.00 O ATOM 524 CB LEU A 33 12.866 -6.808 -11.905 1.00 0.00 C ATOM 525 CG LEU A 33 13.334 -7.484 -13.194 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.234 -8.364 -13.766 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.771 -6.443 -14.214 1.00 0.00 C ATOM 0 H LEU A 33 12.301 -5.227 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 33 12.065 -5.092 -12.924 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.735 -6.375 -11.409 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.468 -7.575 -11.240 1.00 0.00 H new ATOM 0 HG LEU A 33 14.191 -8.116 -12.959 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.586 -8.836 -14.683 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.969 -9.133 -13.040 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.357 -7.754 -13.985 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.101 -6.942 -15.125 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.933 -5.785 -14.444 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.593 -5.855 -13.805 1.00 0.00 H new ATOM 539 N LEU A 34 9.999 -6.297 -13.573 1.00 0.00 N ATOM 540 CA LEU A 34 8.710 -6.866 -13.950 1.00 0.00 C ATOM 541 C LEU A 34 8.891 -8.037 -14.910 1.00 0.00 C ATOM 542 O LEU A 34 8.289 -9.095 -14.735 1.00 0.00 O ATOM 543 CB LEU A 34 7.827 -5.796 -14.593 1.00 0.00 C ATOM 544 CG LEU A 34 6.845 -5.086 -13.660 1.00 0.00 C ATOM 545 CD1 LEU A 34 5.799 -6.062 -13.143 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.586 -4.433 -12.502 1.00 0.00 C ATOM 0 H LEU A 34 10.513 -5.870 -14.344 1.00 0.00 H new ATOM 0 HA LEU A 34 8.225 -7.234 -13.046 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.473 -5.045 -15.047 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.260 -6.259 -15.401 1.00 0.00 H new ATOM 0 HG LEU A 34 6.336 -4.306 -14.226 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.109 -5.539 -12.481 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.247 -6.482 -13.983 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.291 -6.865 -12.594 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.871 -3.933 -11.849 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.122 -5.195 -11.937 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.296 -3.703 -12.890 1.00 0.00 H new ATOM 558 N ASN A 35 9.727 -7.839 -15.925 1.00 0.00 N ATOM 559 CA ASN A 35 9.989 -8.880 -16.913 1.00 0.00 C ATOM 560 C ASN A 35 11.458 -8.881 -17.325 1.00 0.00 C ATOM 561 O ASN A 35 12.011 -7.844 -17.691 1.00 0.00 O ATOM 562 CB ASN A 35 9.102 -8.678 -18.144 1.00 0.00 C ATOM 563 CG ASN A 35 8.249 -9.895 -18.447 1.00 0.00 C ATOM 564 OD1 ASN A 35 7.852 -10.629 -17.542 1.00 0.00 O ATOM 565 ND2 ASN A 35 7.964 -10.114 -19.725 1.00 0.00 N ATOM 0 H ASN A 35 10.234 -6.968 -16.085 1.00 0.00 H new ATOM 0 HA ASN A 35 9.757 -9.844 -16.460 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.456 -7.815 -17.985 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.728 -8.453 -19.007 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.394 -10.917 -19.990 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.315 -9.479 -20.442 1.00 0.00 H new ATOM 572 N SER A 36 12.083 -10.052 -17.263 1.00 0.00 N ATOM 573 CA SER A 36 13.489 -10.188 -17.627 1.00 0.00 C ATOM 574 C SER A 36 13.674 -11.277 -18.680 1.00 0.00 C ATOM 575 O SER A 36 14.687 -11.977 -18.694 1.00 0.00 O ATOM 576 CB SER A 36 14.329 -10.510 -16.390 1.00 0.00 C ATOM 577 OG SER A 36 14.048 -11.813 -15.908 1.00 0.00 O ATOM 0 H SER A 36 11.639 -10.920 -16.964 1.00 0.00 H new ATOM 0 HA SER A 36 13.824 -9.240 -18.047 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.388 -10.430 -16.635 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.126 -9.778 -15.608 1.00 0.00 H new ATOM 0 HG SER A 36 14.599 -11.995 -15.118 1.00 0.00 H new ATOM 583 N THR A 37 12.688 -11.414 -19.561 1.00 0.00 N ATOM 584 CA THR A 37 12.741 -12.417 -20.617 1.00 0.00 C ATOM 585 C THR A 37 13.922 -12.173 -21.549 1.00 0.00 C ATOM 586 O THR A 37 14.411 -13.094 -22.200 1.00 0.00 O ATOM 587 CB THR A 37 11.442 -12.430 -21.444 1.00 0.00 C ATOM 588 OG1 THR A 37 11.555 -13.369 -22.519 1.00 0.00 O ATOM 589 CG2 THR A 37 11.142 -11.047 -22.002 1.00 0.00 C ATOM 0 H THR A 37 11.843 -10.843 -19.564 1.00 0.00 H new ATOM 0 HA THR A 37 12.862 -13.384 -20.129 1.00 0.00 H new ATOM 0 HB THR A 37 10.623 -12.726 -20.788 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.724 -13.372 -23.039 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.220 -11.081 -22.582 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.028 -10.340 -21.180 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.963 -10.728 -22.644 1.00 0.00 H new ATOM 597 N ASN A 38 14.375 -10.925 -21.608 1.00 0.00 N ATOM 598 CA ASN A 38 15.500 -10.560 -22.461 1.00 0.00 C ATOM 599 C ASN A 38 16.756 -10.314 -21.630 1.00 0.00 C ATOM 600 O ASN A 38 16.707 -10.295 -20.400 1.00 0.00 O ATOM 601 CB ASN A 38 15.163 -9.311 -23.278 1.00 0.00 C ATOM 602 CG ASN A 38 15.801 -9.330 -24.654 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.815 -8.673 -24.889 1.00 0.00 O ATOM 604 ND2 ASN A 38 15.209 -10.087 -25.570 1.00 0.00 N ATOM 0 H ASN A 38 13.980 -10.150 -21.075 1.00 0.00 H new ATOM 0 HA ASN A 38 15.693 -11.390 -23.141 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.081 -9.230 -23.383 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.498 -8.426 -22.738 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.593 -10.141 -26.513 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.370 -10.615 -25.331 1.00 0.00 H new ATOM 611 N LYS A 39 17.881 -10.125 -22.311 1.00 0.00 N ATOM 612 CA LYS A 39 19.151 -9.877 -21.638 1.00 0.00 C ATOM 613 C LYS A 39 19.677 -8.483 -21.963 1.00 0.00 C ATOM 614 O LYS A 39 20.426 -7.894 -21.183 1.00 0.00 O ATOM 615 CB LYS A 39 20.182 -10.932 -22.046 1.00 0.00 C ATOM 616 CG LYS A 39 20.527 -10.904 -23.525 1.00 0.00 C ATOM 617 CD LYS A 39 21.079 -12.239 -23.995 1.00 0.00 C ATOM 618 CE LYS A 39 20.006 -13.317 -23.993 1.00 0.00 C ATOM 619 NZ LYS A 39 20.365 -14.459 -24.879 1.00 0.00 N ATOM 0 H LYS A 39 17.939 -10.139 -23.329 1.00 0.00 H new ATOM 0 HA LYS A 39 18.982 -9.940 -20.563 1.00 0.00 H new ATOM 0 HB2 LYS A 39 21.093 -10.782 -21.466 1.00 0.00 H new ATOM 0 HB3 LYS A 39 19.800 -11.920 -21.789 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.637 -10.654 -24.102 1.00 0.00 H new ATOM 0 HG3 LYS A 39 21.260 -10.120 -23.714 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.487 -12.132 -25.000 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.902 -12.542 -23.348 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.857 -13.679 -22.976 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.059 -12.887 -24.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.609 -15.172 -24.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.482 -14.118 -25.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.255 -14.885 -24.552 1.00 0.00 H new ATOM 633 N ASP A 40 19.279 -7.961 -23.118 1.00 0.00 N ATOM 634 CA ASP A 40 19.709 -6.634 -23.545 1.00 0.00 C ATOM 635 C ASP A 40 18.906 -5.548 -22.836 1.00 0.00 C ATOM 636 O ASP A 40 19.454 -4.524 -22.430 1.00 0.00 O ATOM 637 CB ASP A 40 19.559 -6.490 -25.061 1.00 0.00 C ATOM 638 CG ASP A 40 20.454 -7.445 -25.825 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.660 -7.151 -25.958 1.00 0.00 O ATOM 640 OD2 ASP A 40 19.948 -8.488 -26.290 1.00 0.00 O ATOM 0 H ASP A 40 18.660 -8.436 -23.775 1.00 0.00 H new ATOM 0 HA ASP A 40 20.759 -6.516 -23.279 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.520 -6.669 -25.339 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.794 -5.466 -25.351 1.00 0.00 H new ATOM 645 N TRP A 41 17.606 -5.780 -22.693 1.00 0.00 N ATOM 646 CA TRP A 41 16.728 -4.820 -22.034 1.00 0.00 C ATOM 647 C TRP A 41 15.783 -5.523 -21.065 1.00 0.00 C ATOM 648 O TRP A 41 15.361 -6.654 -21.307 1.00 0.00 O ATOM 649 CB TRP A 41 15.923 -4.037 -23.072 1.00 0.00 C ATOM 650 CG TRP A 41 16.777 -3.372 -24.108 1.00 0.00 C ATOM 651 CD1 TRP A 41 17.427 -3.977 -25.146 1.00 0.00 C ATOM 652 CD2 TRP A 41 17.076 -1.975 -24.205 1.00 0.00 C ATOM 653 NE1 TRP A 41 18.112 -3.041 -25.882 1.00 0.00 N ATOM 654 CE2 TRP A 41 17.912 -1.805 -25.326 1.00 0.00 C ATOM 655 CE3 TRP A 41 16.717 -0.852 -23.456 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.394 -0.557 -25.712 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.196 0.386 -23.840 1.00 0.00 C ATOM 658 CH2 TRP A 41 18.026 0.526 -24.960 1.00 0.00 C ATOM 0 H TRP A 41 17.137 -6.623 -23.024 1.00 0.00 H new ATOM 0 HA TRP A 41 17.350 -4.126 -21.468 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.226 -4.713 -23.566 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.326 -3.280 -22.563 1.00 0.00 H new ATOM 0 HD1 TRP A 41 17.406 -5.036 -25.357 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.678 -3.235 -26.708 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.076 -0.950 -22.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.035 -0.447 -26.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 16.926 1.261 -23.267 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.382 1.508 -25.235 1.00 0.00 H new ATOM 669 N TRP A 42 15.456 -4.848 -19.969 1.00 0.00 N ATOM 670 CA TRP A 42 14.561 -5.409 -18.964 1.00 0.00 C ATOM 671 C TRP A 42 13.379 -4.480 -18.709 1.00 0.00 C ATOM 672 O TRP A 42 13.495 -3.261 -18.836 1.00 0.00 O ATOM 673 CB TRP A 42 15.319 -5.661 -17.660 1.00 0.00 C ATOM 674 CG TRP A 42 16.524 -6.534 -17.832 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.662 -7.578 -18.702 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.760 -6.440 -17.115 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.910 -8.139 -18.569 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.603 -7.458 -17.603 1.00 0.00 C ATOM 679 CE3 TRP A 42 18.238 -5.594 -16.111 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.894 -7.652 -17.118 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.519 -5.787 -15.631 1.00 0.00 C ATOM 682 CH2 TRP A 42 20.335 -6.809 -16.135 1.00 0.00 C ATOM 0 H TRP A 42 15.797 -3.911 -19.754 1.00 0.00 H new ATOM 0 HA TRP A 42 14.179 -6.357 -19.342 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.629 -4.705 -17.238 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.644 -6.123 -16.940 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.902 -7.913 -19.393 1.00 0.00 H new ATOM 0 HE1 TRP A 42 18.263 -8.933 -19.103 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.617 -4.803 -15.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.524 -8.440 -17.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.898 -5.139 -14.854 1.00 0.00 H new ATOM 0 HH2 TRP A 42 21.332 -6.934 -15.739 1.00 0.00 H new ATOM 693 N LYS A 43 12.241 -5.064 -18.348 1.00 0.00 N ATOM 694 CA LYS A 43 11.037 -4.289 -18.073 1.00 0.00 C ATOM 695 C LYS A 43 10.944 -3.934 -16.592 1.00 0.00 C ATOM 696 O LYS A 43 10.749 -4.806 -15.746 1.00 0.00 O ATOM 697 CB LYS A 43 9.793 -5.072 -18.499 1.00 0.00 C ATOM 698 CG LYS A 43 8.493 -4.322 -18.267 1.00 0.00 C ATOM 699 CD LYS A 43 8.067 -3.548 -19.503 1.00 0.00 C ATOM 700 CE LYS A 43 6.864 -4.192 -20.177 1.00 0.00 C ATOM 701 NZ LYS A 43 7.146 -5.594 -20.591 1.00 0.00 N ATOM 0 H LYS A 43 12.128 -6.072 -18.239 1.00 0.00 H new ATOM 0 HA LYS A 43 11.092 -3.364 -18.648 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.875 -5.321 -19.557 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.762 -6.014 -17.952 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.709 -5.027 -17.990 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.613 -3.635 -17.430 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.824 -2.522 -19.226 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.897 -3.500 -20.207 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.015 -4.179 -19.494 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.580 -3.605 -21.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.327 -5.975 -21.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.982 -5.612 -21.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.326 -6.175 -19.748 1.00 0.00 H new ATOM 715 N VAL A 44 11.085 -2.648 -16.287 1.00 0.00 N ATOM 716 CA VAL A 44 11.015 -2.178 -14.909 1.00 0.00 C ATOM 717 C VAL A 44 9.870 -1.189 -14.723 1.00 0.00 C ATOM 718 O VAL A 44 9.465 -0.509 -15.666 1.00 0.00 O ATOM 719 CB VAL A 44 12.333 -1.507 -14.476 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.485 -2.497 -14.552 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.613 -0.283 -15.335 1.00 0.00 C ATOM 0 H VAL A 44 11.248 -1.913 -16.976 1.00 0.00 H new ATOM 0 HA VAL A 44 10.840 -3.054 -14.285 1.00 0.00 H new ATOM 0 HB VAL A 44 12.233 -1.181 -13.441 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.408 -2.006 -14.243 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.284 -3.341 -13.892 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.590 -2.855 -15.576 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.547 0.179 -15.016 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.694 -0.583 -16.380 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.798 0.433 -15.225 1.00 0.00 H new ATOM 731 N GLU A 45 9.352 -1.113 -13.501 1.00 0.00 N ATOM 732 CA GLU A 45 8.252 -0.207 -13.192 1.00 0.00 C ATOM 733 C GLU A 45 8.747 1.000 -12.400 1.00 0.00 C ATOM 734 O GLU A 45 9.219 0.864 -11.271 1.00 0.00 O ATOM 735 CB GLU A 45 7.165 -0.939 -12.402 1.00 0.00 C ATOM 736 CG GLU A 45 5.939 -0.086 -12.121 1.00 0.00 C ATOM 737 CD GLU A 45 4.685 -0.916 -11.923 1.00 0.00 C ATOM 738 OE1 GLU A 45 4.465 -1.857 -12.713 1.00 0.00 O ATOM 739 OE2 GLU A 45 3.924 -0.623 -10.977 1.00 0.00 O ATOM 0 H GLU A 45 9.676 -1.668 -12.709 1.00 0.00 H new ATOM 0 HA GLU A 45 7.831 0.146 -14.133 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.860 -1.827 -12.956 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.584 -1.282 -11.456 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.116 0.516 -11.230 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.785 0.607 -12.948 1.00 0.00 H new ATOM 746 N VAL A 46 8.638 2.180 -13.001 1.00 0.00 N ATOM 747 CA VAL A 46 9.074 3.411 -12.353 1.00 0.00 C ATOM 748 C VAL A 46 7.928 4.065 -11.589 1.00 0.00 C ATOM 749 O VAL A 46 6.756 3.798 -11.856 1.00 0.00 O ATOM 750 CB VAL A 46 9.633 4.417 -13.377 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.435 5.503 -12.676 1.00 0.00 C ATOM 752 CG2 VAL A 46 10.483 3.701 -14.416 1.00 0.00 C ATOM 0 H VAL A 46 8.251 2.310 -13.936 1.00 0.00 H new ATOM 0 HA VAL A 46 9.865 3.138 -11.654 1.00 0.00 H new ATOM 0 HB VAL A 46 8.796 4.891 -13.889 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.822 6.204 -13.415 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.792 6.034 -11.974 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.266 5.050 -12.136 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.870 4.426 -15.132 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.315 3.199 -13.922 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.874 2.964 -14.939 1.00 0.00 H new ATOM 762 N LYS A 47 8.274 4.925 -10.637 1.00 0.00 N ATOM 763 CA LYS A 47 7.275 5.620 -9.834 1.00 0.00 C ATOM 764 C LYS A 47 7.179 7.089 -10.236 1.00 0.00 C ATOM 765 O LYS A 47 8.150 7.676 -10.712 1.00 0.00 O ATOM 766 CB LYS A 47 7.619 5.509 -8.347 1.00 0.00 C ATOM 767 CG LYS A 47 7.203 4.188 -7.723 1.00 0.00 C ATOM 768 CD LYS A 47 7.987 3.899 -6.454 1.00 0.00 C ATOM 769 CE LYS A 47 7.733 4.955 -5.389 1.00 0.00 C ATOM 770 NZ LYS A 47 8.547 4.715 -4.165 1.00 0.00 N ATOM 0 H LYS A 47 9.239 5.157 -10.403 1.00 0.00 H new ATOM 0 HA LYS A 47 6.309 5.148 -10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.694 5.638 -8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.135 6.324 -7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.137 4.212 -7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.358 3.381 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.709 2.918 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.052 3.861 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.965 5.941 -5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.675 4.959 -5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.973 4.916 -3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.858 3.723 -4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.380 5.338 -4.174 1.00 0.00 H new ATOM 784 N ALA A 48 6.003 7.676 -10.040 1.00 0.00 N ATOM 785 CA ALA A 48 5.783 9.076 -10.379 1.00 0.00 C ATOM 786 C ALA A 48 4.703 9.691 -9.494 1.00 0.00 C ATOM 787 O ALA A 48 3.891 8.981 -8.902 1.00 0.00 O ATOM 788 CB ALA A 48 5.405 9.211 -11.846 1.00 0.00 C ATOM 0 H ALA A 48 5.188 7.204 -9.648 1.00 0.00 H new ATOM 0 HA ALA A 48 6.713 9.617 -10.204 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.244 10.262 -12.085 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.210 8.817 -12.467 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.490 8.651 -12.039 1.00 0.00 H new ATOM 794 N THR A 49 4.700 11.018 -9.409 1.00 0.00 N ATOM 795 CA THR A 49 3.722 11.729 -8.595 1.00 0.00 C ATOM 796 C THR A 49 3.106 12.891 -9.366 1.00 0.00 C ATOM 797 O THR A 49 3.817 13.751 -9.884 1.00 0.00 O ATOM 798 CB THR A 49 4.355 12.267 -7.298 1.00 0.00 C ATOM 799 OG1 THR A 49 5.020 11.208 -6.601 1.00 0.00 O ATOM 800 CG2 THR A 49 3.298 12.889 -6.398 1.00 0.00 C ATOM 0 H THR A 49 5.364 11.622 -9.894 1.00 0.00 H new ATOM 0 HA THR A 49 2.942 11.012 -8.340 1.00 0.00 H new ATOM 0 HB THR A 49 5.080 13.036 -7.565 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.421 11.559 -5.778 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.768 13.262 -5.488 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.815 13.714 -6.921 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.553 12.137 -6.139 1.00 0.00 H new ATOM 808 N ALA A 50 1.779 12.910 -9.438 1.00 0.00 N ATOM 809 CA ALA A 50 1.067 13.968 -10.144 1.00 0.00 C ATOM 810 C ALA A 50 -0.347 14.137 -9.598 1.00 0.00 C ATOM 811 O ALA A 50 -0.966 13.176 -9.144 1.00 0.00 O ATOM 812 CB ALA A 50 1.027 13.672 -11.636 1.00 0.00 C ATOM 0 H ALA A 50 1.175 12.204 -9.016 1.00 0.00 H new ATOM 0 HA ALA A 50 1.604 14.903 -9.984 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.492 14.470 -12.151 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.044 13.609 -12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.515 12.725 -11.805 1.00 0.00 H new ATOM 818 N ASN A 51 -0.851 15.366 -9.644 1.00 0.00 N ATOM 819 CA ASN A 51 -2.192 15.661 -9.153 1.00 0.00 C ATOM 820 C ASN A 51 -2.338 15.250 -7.691 1.00 0.00 C ATOM 821 O ASN A 51 -3.417 14.857 -7.250 1.00 0.00 O ATOM 822 CB ASN A 51 -3.239 14.941 -10.004 1.00 0.00 C ATOM 823 CG ASN A 51 -2.930 15.015 -11.487 1.00 0.00 C ATOM 824 OD1 ASN A 51 -3.233 16.010 -12.146 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.324 13.960 -12.018 1.00 0.00 N ATOM 0 H ASN A 51 -0.351 16.173 -10.016 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.351 16.737 -9.227 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.295 13.896 -9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.219 15.380 -9.818 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.090 13.952 -13.011 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.092 13.157 -11.433 1.00 0.00 H new ATOM 832 N GLY A 52 -1.243 15.345 -6.942 1.00 0.00 N ATOM 833 CA GLY A 52 -1.270 14.980 -5.538 1.00 0.00 C ATOM 834 C GLY A 52 -1.438 13.488 -5.330 1.00 0.00 C ATOM 835 O GLY A 52 -1.850 13.045 -4.258 1.00 0.00 O ATOM 0 H GLY A 52 -0.338 15.668 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.346 15.308 -5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.087 15.507 -5.044 1.00 0.00 H new ATOM 839 N LYS A 53 -1.119 12.709 -6.358 1.00 0.00 N ATOM 840 CA LYS A 53 -1.236 11.258 -6.284 1.00 0.00 C ATOM 841 C LYS A 53 0.041 10.583 -6.772 1.00 0.00 C ATOM 842 O LYS A 53 0.742 11.108 -7.638 1.00 0.00 O ATOM 843 CB LYS A 53 -2.428 10.779 -7.117 1.00 0.00 C ATOM 844 CG LYS A 53 -3.775 11.150 -6.520 1.00 0.00 C ATOM 845 CD LYS A 53 -4.081 10.326 -5.280 1.00 0.00 C ATOM 846 CE LYS A 53 -5.546 10.434 -4.887 1.00 0.00 C ATOM 847 NZ LYS A 53 -5.894 9.498 -3.782 1.00 0.00 N ATOM 0 H LYS A 53 -0.777 13.059 -7.253 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.395 10.984 -5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.355 11.203 -8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.374 9.696 -7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.781 12.210 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.558 10.996 -7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.829 9.282 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.456 10.664 -4.454 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.765 11.456 -4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.171 10.221 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.901 9.602 -3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.709 8.520 -4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.315 9.717 -2.946 1.00 0.00 H new ATOM 861 N THR A 54 0.339 9.414 -6.213 1.00 0.00 N ATOM 862 CA THR A 54 1.532 8.667 -6.591 1.00 0.00 C ATOM 863 C THR A 54 1.169 7.413 -7.378 1.00 0.00 C ATOM 864 O THR A 54 0.386 6.583 -6.915 1.00 0.00 O ATOM 865 CB THR A 54 2.358 8.263 -5.355 1.00 0.00 C ATOM 866 OG1 THR A 54 1.496 8.098 -4.223 1.00 0.00 O ATOM 867 CG2 THR A 54 3.416 9.311 -5.044 1.00 0.00 C ATOM 0 H THR A 54 -0.230 8.964 -5.496 1.00 0.00 H new ATOM 0 HA THR A 54 2.131 9.326 -7.219 1.00 0.00 H new ATOM 0 HB THR A 54 2.858 7.319 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.028 7.840 -3.442 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.986 9.003 -4.167 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.088 9.414 -5.896 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.933 10.268 -4.845 1.00 0.00 H new ATOM 875 N TYR A 55 1.743 7.281 -8.568 1.00 0.00 N ATOM 876 CA TYR A 55 1.478 6.128 -9.420 1.00 0.00 C ATOM 877 C TYR A 55 2.780 5.515 -9.928 1.00 0.00 C ATOM 878 O TYR A 55 3.867 5.886 -9.485 1.00 0.00 O ATOM 879 CB TYR A 55 0.597 6.533 -10.603 1.00 0.00 C ATOM 880 CG TYR A 55 1.301 7.416 -11.608 1.00 0.00 C ATOM 881 CD1 TYR A 55 1.348 8.794 -11.440 1.00 0.00 C ATOM 882 CD2 TYR A 55 1.921 6.871 -12.727 1.00 0.00 C ATOM 883 CE1 TYR A 55 1.990 9.604 -12.356 1.00 0.00 C ATOM 884 CE2 TYR A 55 2.566 7.674 -13.648 1.00 0.00 C ATOM 885 CZ TYR A 55 2.597 9.040 -13.458 1.00 0.00 C ATOM 886 OH TYR A 55 3.239 9.843 -14.373 1.00 0.00 O ATOM 0 H TYR A 55 2.395 7.958 -8.965 1.00 0.00 H new ATOM 0 HA TYR A 55 0.954 5.381 -8.824 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.244 5.633 -11.107 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.283 7.055 -10.228 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.874 9.240 -10.578 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.898 5.802 -12.879 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.016 10.674 -12.210 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.043 7.235 -14.512 1.00 0.00 H new ATOM 0 HH TYR A 55 3.614 9.288 -15.089 1.00 0.00 H new ATOM 896 N GLU A 56 2.660 4.575 -10.860 1.00 0.00 N ATOM 897 CA GLU A 56 3.827 3.910 -11.429 1.00 0.00 C ATOM 898 C GLU A 56 3.592 3.558 -12.895 1.00 0.00 C ATOM 899 O GLU A 56 2.457 3.339 -13.317 1.00 0.00 O ATOM 900 CB GLU A 56 4.157 2.645 -10.635 1.00 0.00 C ATOM 901 CG GLU A 56 4.231 2.869 -9.134 1.00 0.00 C ATOM 902 CD GLU A 56 5.006 1.779 -8.419 1.00 0.00 C ATOM 903 OE1 GLU A 56 5.277 0.735 -9.048 1.00 0.00 O ATOM 904 OE2 GLU A 56 5.340 1.970 -7.231 1.00 0.00 O ATOM 0 H GLU A 56 1.767 4.257 -11.237 1.00 0.00 H new ATOM 0 HA GLU A 56 4.671 4.598 -11.370 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.401 1.888 -10.844 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.111 2.247 -10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.701 3.833 -8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.221 2.918 -8.727 1.00 0.00 H new ATOM 911 N ARG A 57 4.674 3.507 -13.665 1.00 0.00 N ATOM 912 CA ARG A 57 4.587 3.183 -15.084 1.00 0.00 C ATOM 913 C ARG A 57 5.590 2.095 -15.456 1.00 0.00 C ATOM 914 O ARG A 57 6.715 2.079 -14.957 1.00 0.00 O ATOM 915 CB ARG A 57 4.835 4.433 -15.930 1.00 0.00 C ATOM 916 CG ARG A 57 6.090 5.196 -15.536 1.00 0.00 C ATOM 917 CD ARG A 57 6.162 6.546 -16.232 1.00 0.00 C ATOM 918 NE ARG A 57 5.881 6.441 -17.661 1.00 0.00 N ATOM 919 CZ ARG A 57 5.498 7.468 -18.412 1.00 0.00 C ATOM 920 NH1 ARG A 57 5.352 8.670 -17.872 1.00 0.00 N ATOM 921 NH2 ARG A 57 5.261 7.293 -19.706 1.00 0.00 N ATOM 0 H ARG A 57 5.621 3.686 -13.330 1.00 0.00 H new ATOM 0 HA ARG A 57 3.583 2.810 -15.285 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.910 4.143 -16.978 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.974 5.096 -15.844 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.105 5.341 -14.456 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.971 4.606 -15.791 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.449 7.230 -15.772 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.153 6.975 -16.088 1.00 0.00 H new ATOM 0 HE ARG A 57 5.984 5.530 -18.107 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.534 8.808 -16.878 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.058 9.457 -18.451 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.373 6.370 -20.125 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.967 8.082 -20.282 1.00 0.00 H new ATOM 935 N GLN A 58 5.174 1.189 -16.335 1.00 0.00 N ATOM 936 CA GLN A 58 6.036 0.098 -16.773 1.00 0.00 C ATOM 937 C GLN A 58 6.771 0.466 -18.058 1.00 0.00 C ATOM 938 O GLN A 58 6.160 0.913 -19.028 1.00 0.00 O ATOM 939 CB GLN A 58 5.215 -1.174 -16.988 1.00 0.00 C ATOM 940 CG GLN A 58 4.742 -1.819 -15.695 1.00 0.00 C ATOM 941 CD GLN A 58 3.803 -2.985 -15.934 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.666 -2.988 -15.461 1.00 0.00 O ATOM 943 NE2 GLN A 58 4.275 -3.984 -16.670 1.00 0.00 N ATOM 0 H GLN A 58 4.246 1.189 -16.758 1.00 0.00 H new ATOM 0 HA GLN A 58 6.775 -0.082 -15.992 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.348 -0.937 -17.604 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.815 -1.894 -17.545 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.607 -2.164 -15.128 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.238 -1.071 -15.083 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.224 -3.939 -17.042 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.689 -4.796 -16.864 1.00 0.00 H new ATOM 952 N GLY A 59 8.087 0.276 -18.057 1.00 0.00 N ATOM 953 CA GLY A 59 8.883 0.594 -19.227 1.00 0.00 C ATOM 954 C GLY A 59 10.078 -0.326 -19.383 1.00 0.00 C ATOM 955 O GLY A 59 10.278 -1.237 -18.580 1.00 0.00 O ATOM 0 H GLY A 59 8.616 -0.093 -17.266 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.258 0.526 -20.117 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.229 1.625 -19.158 1.00 0.00 H new ATOM 959 N PHE A 60 10.874 -0.089 -20.421 1.00 0.00 N ATOM 960 CA PHE A 60 12.054 -0.905 -20.681 1.00 0.00 C ATOM 961 C PHE A 60 13.331 -0.091 -20.491 1.00 0.00 C ATOM 962 O PHE A 60 13.370 1.102 -20.791 1.00 0.00 O ATOM 963 CB PHE A 60 12.004 -1.474 -22.101 1.00 0.00 C ATOM 964 CG PHE A 60 10.760 -2.265 -22.386 1.00 0.00 C ATOM 965 CD1 PHE A 60 9.577 -1.625 -22.718 1.00 0.00 C ATOM 966 CD2 PHE A 60 10.774 -3.649 -22.323 1.00 0.00 C ATOM 967 CE1 PHE A 60 8.430 -2.350 -22.981 1.00 0.00 C ATOM 968 CE2 PHE A 60 9.630 -4.380 -22.586 1.00 0.00 C ATOM 969 CZ PHE A 60 8.457 -3.729 -22.915 1.00 0.00 C ATOM 0 H PHE A 60 10.723 0.661 -21.095 1.00 0.00 H new ATOM 0 HA PHE A 60 12.060 -1.729 -19.967 1.00 0.00 H new ATOM 0 HB2 PHE A 60 12.075 -0.654 -22.815 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.874 -2.111 -22.260 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.551 -0.547 -22.772 1.00 0.00 H new ATOM 0 HD2 PHE A 60 11.689 -4.163 -22.066 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.514 -1.839 -23.238 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.654 -5.458 -22.534 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.562 -4.298 -23.120 1.00 0.00 H new ATOM 979 N VAL A 61 14.374 -0.746 -19.991 1.00 0.00 N ATOM 980 CA VAL A 61 15.653 -0.084 -19.761 1.00 0.00 C ATOM 981 C VAL A 61 16.815 -0.969 -20.196 1.00 0.00 C ATOM 982 O VAL A 61 16.724 -2.197 -20.206 1.00 0.00 O ATOM 983 CB VAL A 61 15.833 0.289 -18.278 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.822 1.349 -17.867 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.710 -0.947 -17.399 1.00 0.00 C ATOM 0 H VAL A 61 14.359 -1.734 -19.738 1.00 0.00 H new ATOM 0 HA VAL A 61 15.650 0.827 -20.359 1.00 0.00 H new ATOM 0 HB VAL A 61 16.832 0.704 -18.144 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.965 1.600 -16.816 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.964 2.242 -18.476 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.812 0.966 -18.015 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.840 -0.665 -16.354 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.725 -1.393 -17.535 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.477 -1.669 -17.678 1.00 0.00 H new ATOM 995 N PRO A 62 17.937 -0.333 -20.565 1.00 0.00 N ATOM 996 CA PRO A 62 19.141 -1.044 -21.007 1.00 0.00 C ATOM 997 C PRO A 62 19.823 -1.793 -19.868 1.00 0.00 C ATOM 998 O PRO A 62 20.214 -1.195 -18.866 1.00 0.00 O ATOM 999 CB PRO A 62 20.044 0.078 -21.526 1.00 0.00 C ATOM 1000 CG PRO A 62 19.596 1.295 -20.793 1.00 0.00 C ATOM 1001 CD PRO A 62 18.117 1.128 -20.578 1.00 0.00 C ATOM 0 HA PRO A 62 18.914 -1.807 -21.752 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.095 -0.137 -21.331 1.00 0.00 H new ATOM 0 HB3 PRO A 62 19.939 0.204 -22.604 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.120 1.393 -19.842 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.807 2.197 -21.368 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.794 1.581 -19.641 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.540 1.597 -21.375 1.00 0.00 H new ATOM 1009 N ALA A 63 19.963 -3.105 -20.028 1.00 0.00 N ATOM 1010 CA ALA A 63 20.601 -3.935 -19.014 1.00 0.00 C ATOM 1011 C ALA A 63 22.060 -3.538 -18.818 1.00 0.00 C ATOM 1012 O ALA A 63 22.693 -3.928 -17.837 1.00 0.00 O ATOM 1013 CB ALA A 63 20.498 -5.405 -19.394 1.00 0.00 C ATOM 0 H ALA A 63 19.643 -3.616 -20.851 1.00 0.00 H new ATOM 0 HA ALA A 63 20.079 -3.778 -18.070 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.979 -6.013 -18.628 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.448 -5.687 -19.476 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.993 -5.569 -20.351 1.00 0.00 H new ATOM 1019 N ALA A 64 22.589 -2.761 -19.757 1.00 0.00 N ATOM 1020 CA ALA A 64 23.973 -2.311 -19.687 1.00 0.00 C ATOM 1021 C ALA A 64 24.132 -1.179 -18.676 1.00 0.00 C ATOM 1022 O ALA A 64 25.224 -0.945 -18.158 1.00 0.00 O ATOM 1023 CB ALA A 64 24.455 -1.865 -21.060 1.00 0.00 C ATOM 0 H ALA A 64 22.079 -2.430 -20.576 1.00 0.00 H new ATOM 0 HA ALA A 64 24.584 -3.150 -19.355 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.491 -1.532 -20.992 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.388 -2.700 -21.758 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.832 -1.044 -21.415 1.00 0.00 H new ATOM 1029 N TYR A 65 23.036 -0.481 -18.401 1.00 0.00 N ATOM 1030 CA TYR A 65 23.054 0.628 -17.454 1.00 0.00 C ATOM 1031 C TYR A 65 22.474 0.205 -16.108 1.00 0.00 C ATOM 1032 O TYR A 65 22.808 0.773 -15.068 1.00 0.00 O ATOM 1033 CB TYR A 65 22.267 1.815 -18.012 1.00 0.00 C ATOM 1034 CG TYR A 65 22.906 2.449 -19.226 1.00 0.00 C ATOM 1035 CD1 TYR A 65 23.023 1.748 -20.420 1.00 0.00 C ATOM 1036 CD2 TYR A 65 23.395 3.749 -19.179 1.00 0.00 C ATOM 1037 CE1 TYR A 65 23.607 2.323 -21.532 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.979 4.332 -20.287 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.083 3.615 -21.460 1.00 0.00 C ATOM 1040 OH TYR A 65 24.666 4.193 -22.565 1.00 0.00 O ATOM 0 H TYR A 65 22.124 -0.663 -18.820 1.00 0.00 H new ATOM 0 HA TYR A 65 24.091 0.927 -17.303 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.262 1.483 -18.273 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.162 2.569 -17.232 1.00 0.00 H new ATOM 0 HD1 TYR A 65 22.651 0.736 -20.480 1.00 0.00 H new ATOM 0 HD2 TYR A 65 23.317 4.313 -18.261 1.00 0.00 H new ATOM 0 HE1 TYR A 65 23.690 1.764 -22.452 1.00 0.00 H new ATOM 0 HE2 TYR A 65 24.352 5.344 -20.235 1.00 0.00 H new ATOM 0 HH TYR A 65 24.947 5.106 -22.347 1.00 0.00 H new ATOM 1050 N VAL A 66 21.602 -0.798 -16.136 1.00 0.00 N ATOM 1051 CA VAL A 66 20.974 -1.300 -14.919 1.00 0.00 C ATOM 1052 C VAL A 66 21.300 -2.773 -14.700 1.00 0.00 C ATOM 1053 O VAL A 66 21.388 -3.549 -15.652 1.00 0.00 O ATOM 1054 CB VAL A 66 19.445 -1.125 -14.963 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.076 0.351 -14.980 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.861 -1.842 -16.171 1.00 0.00 C ATOM 0 H VAL A 66 21.314 -1.279 -16.988 1.00 0.00 H new ATOM 0 HA VAL A 66 21.375 -0.715 -14.091 1.00 0.00 H new ATOM 0 HB VAL A 66 19.020 -1.571 -14.064 1.00 0.00 H new ATOM 0 HG11 VAL A 66 17.991 0.455 -15.011 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.461 0.833 -14.081 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.511 0.825 -15.860 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.779 -1.708 -16.186 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.291 -1.428 -17.083 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.094 -2.905 -16.111 1.00 0.00 H new ATOM 1066 N LYS A 67 21.479 -3.153 -13.439 1.00 0.00 N ATOM 1067 CA LYS A 67 21.793 -4.533 -13.093 1.00 0.00 C ATOM 1068 C LYS A 67 20.795 -5.081 -12.078 1.00 0.00 C ATOM 1069 O LYS A 67 20.555 -4.471 -11.036 1.00 0.00 O ATOM 1070 CB LYS A 67 23.213 -4.629 -12.530 1.00 0.00 C ATOM 1071 CG LYS A 67 23.541 -5.987 -11.933 1.00 0.00 C ATOM 1072 CD LYS A 67 24.988 -6.060 -11.477 1.00 0.00 C ATOM 1073 CE LYS A 67 25.902 -6.532 -12.597 1.00 0.00 C ATOM 1074 NZ LYS A 67 27.320 -6.630 -12.153 1.00 0.00 N ATOM 0 H LYS A 67 21.412 -2.523 -12.640 1.00 0.00 H new ATOM 0 HA LYS A 67 21.727 -5.132 -14.001 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.926 -4.409 -13.325 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.344 -3.864 -11.765 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.882 -6.183 -11.087 1.00 0.00 H new ATOM 0 HG3 LYS A 67 23.352 -6.766 -12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.312 -5.078 -11.131 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.069 -6.740 -10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 67 25.565 -7.505 -12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 67 25.832 -5.842 -13.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 27.910 -6.955 -12.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 27.650 -5.696 -11.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 27.392 -7.308 -11.367 1.00 0.00 H new ATOM 1088 N LYS A 68 20.215 -6.236 -12.389 1.00 0.00 N ATOM 1089 CA LYS A 68 19.244 -6.868 -11.503 1.00 0.00 C ATOM 1090 C LYS A 68 19.896 -7.278 -10.186 1.00 0.00 C ATOM 1091 O LYS A 68 21.072 -7.641 -10.150 1.00 0.00 O ATOM 1092 CB LYS A 68 18.626 -8.092 -12.182 1.00 0.00 C ATOM 1093 CG LYS A 68 19.648 -9.130 -12.612 1.00 0.00 C ATOM 1094 CD LYS A 68 19.162 -9.928 -13.810 1.00 0.00 C ATOM 1095 CE LYS A 68 18.085 -10.927 -13.415 1.00 0.00 C ATOM 1096 NZ LYS A 68 18.668 -12.185 -12.872 1.00 0.00 N ATOM 0 H LYS A 68 20.401 -6.753 -13.248 1.00 0.00 H new ATOM 0 HA LYS A 68 18.458 -6.144 -11.289 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.915 -8.556 -11.498 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.062 -7.766 -13.056 1.00 0.00 H new ATOM 0 HG2 LYS A 68 20.588 -8.636 -12.860 1.00 0.00 H new ATOM 0 HG3 LYS A 68 19.853 -9.806 -11.782 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.769 -9.248 -14.566 1.00 0.00 H new ATOM 0 HD3 LYS A 68 20.002 -10.456 -14.261 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.430 -10.478 -12.668 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.468 -11.158 -14.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.902 -12.840 -12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.273 -12.627 -13.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.236 -11.968 -12.028 1.00 0.00 H new ATOM 1110 N LEU A 69 19.124 -7.219 -9.107 1.00 0.00 N ATOM 1111 CA LEU A 69 19.625 -7.586 -7.787 1.00 0.00 C ATOM 1112 C LEU A 69 19.009 -8.900 -7.316 1.00 0.00 C ATOM 1113 O LEU A 69 18.457 -8.980 -6.219 1.00 0.00 O ATOM 1114 CB LEU A 69 19.322 -6.477 -6.778 1.00 0.00 C ATOM 1115 CG LEU A 69 20.292 -5.294 -6.769 1.00 0.00 C ATOM 1116 CD1 LEU A 69 20.286 -4.589 -8.117 1.00 0.00 C ATOM 1117 CD2 LEU A 69 19.936 -4.321 -5.654 1.00 0.00 C ATOM 0 H LEU A 69 18.149 -6.921 -9.120 1.00 0.00 H new ATOM 0 HA LEU A 69 20.705 -7.718 -7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.319 -6.098 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 69 19.306 -6.916 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 69 21.297 -5.674 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 69 20.982 -3.750 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 69 20.590 -5.289 -8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 69 19.282 -4.222 -8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 69 20.636 -3.486 -5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 69 18.924 -3.947 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 69 19.993 -4.832 -4.693 1.00 0.00 H new ATOM 1129 N ASP A 70 19.110 -9.927 -8.152 1.00 0.00 N ATOM 1130 CA ASP A 70 18.565 -11.239 -7.821 1.00 0.00 C ATOM 1131 C ASP A 70 19.640 -12.136 -7.216 1.00 0.00 C ATOM 1132 O ASP A 70 19.585 -12.476 -6.033 1.00 0.00 O ATOM 1133 CB ASP A 70 17.974 -11.899 -9.067 1.00 0.00 C ATOM 1134 CG ASP A 70 17.619 -13.355 -8.838 1.00 0.00 C ATOM 1135 OD1 ASP A 70 17.070 -13.669 -7.761 1.00 0.00 O ATOM 1136 OD2 ASP A 70 17.889 -14.180 -9.736 1.00 0.00 O ATOM 0 H ASP A 70 19.564 -9.877 -9.064 1.00 0.00 H new ATOM 0 HA ASP A 70 17.774 -11.101 -7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.081 -11.354 -9.374 1.00 0.00 H new ATOM 0 HB3 ASP A 70 18.689 -11.827 -9.887 1.00 0.00 H new TER 1141 ASP A 70