USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 880 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 11 SER OG : rot 144:sc= 0.325 USER MOD Set 1.2: A 83 THR OG1 : rot 155:sc= -1.84! USER MOD Set 1.3: A 94 GLN : amide:sc= -1.53 K(o=-3,f=-5.3!) USER MOD Single : A 6 GLN : amide:sc= -0.216 K(o=-0.22,f=-1.6!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0288 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -4.93! C(o=-4.9!,f=-5.2!) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.11) USER MOD Single : A 41 ASN : amide:sc= -1.59 K(o=-1.6,f=-3.7!) USER MOD Single : A 44 MET CE :methyl 160:sc= -0.445 (180deg=-1.18) USER MOD Single : A 51 HIS : no HD1:sc= -0.0219 K(o=-0.022,f=-0.89) USER MOD Single : A 57 THR OG1 : rot -58:sc= 1.13 USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0.117 (180deg=0.108) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 70 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.095) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= -0.0408 (180deg=-0.916) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.44 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.793 K(o=-0.79,f=-2) USER MOD Single : A 100 THR OG1 : rot 146:sc= -4.68! USER MOD Single : A 102 THR OG1 : rot -36:sc= 0.306! USER MOD Single : A 106 ASN :FLIP amide:sc= -0.819 F(o=-1.4,f=-0.82) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -100:sc= -0.118 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 165.916 17.213 4.295 1.00 0.00 N ATOM 2 CA GLN A 6 165.877 15.740 4.106 1.00 0.00 C ATOM 3 C GLN A 6 167.147 15.082 4.637 1.00 0.00 C ATOM 4 O GLN A 6 168.257 15.494 4.302 1.00 0.00 O ATOM 5 CB GLN A 6 165.716 15.446 2.612 1.00 0.00 C ATOM 6 CG GLN A 6 166.763 16.120 1.742 1.00 0.00 C ATOM 7 CD GLN A 6 166.240 17.371 1.064 1.00 0.00 C ATOM 8 OE1 GLN A 6 165.054 17.474 0.755 1.00 0.00 O ATOM 9 NE2 GLN A 6 167.127 18.331 0.829 1.00 0.00 N ATOM 0 HA GLN A 6 165.036 15.329 4.665 1.00 0.00 H new ATOM 0 HB2 GLN A 6 165.765 14.368 2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 6 164.726 15.770 2.291 1.00 0.00 H new ATOM 0 HG2 GLN A 6 167.628 16.377 2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 6 167.107 15.417 0.983 1.00 0.00 H new ATOM 0 HE21 GLN A 6 168.101 18.203 1.102 1.00 0.00 H new ATOM 0 HE22 GLN A 6 166.834 19.196 0.375 1.00 0.00 H new ATOM 18 N TYR A 7 166.975 14.061 5.469 1.00 0.00 N ATOM 19 CA TYR A 7 168.107 13.348 6.048 1.00 0.00 C ATOM 20 C TYR A 7 168.828 12.528 4.993 1.00 0.00 C ATOM 21 O TYR A 7 168.329 12.334 3.885 1.00 0.00 O ATOM 22 CB TYR A 7 167.639 12.442 7.188 1.00 0.00 C ATOM 23 CG TYR A 7 168.719 11.579 7.804 1.00 0.00 C ATOM 24 CD1 TYR A 7 169.693 12.134 8.624 1.00 0.00 C ATOM 25 CD2 TYR A 7 168.755 10.208 7.577 1.00 0.00 C ATOM 26 CE1 TYR A 7 170.676 11.348 9.197 1.00 0.00 C ATOM 27 CE2 TYR A 7 169.734 9.417 8.145 1.00 0.00 C ATOM 28 CZ TYR A 7 170.692 9.990 8.955 1.00 0.00 C ATOM 29 OH TYR A 7 171.667 9.205 9.526 1.00 0.00 O ATOM 0 H TYR A 7 166.062 13.709 5.758 1.00 0.00 H new ATOM 0 HA TYR A 7 168.804 14.086 6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 7 167.202 13.063 7.970 1.00 0.00 H new ATOM 0 HB3 TYR A 7 166.846 11.794 6.815 1.00 0.00 H new ATOM 0 HD1 TYR A 7 169.683 13.197 8.817 1.00 0.00 H new ATOM 0 HD2 TYR A 7 168.005 9.754 6.946 1.00 0.00 H new ATOM 0 HE1 TYR A 7 171.427 11.795 9.831 1.00 0.00 H new ATOM 0 HE2 TYR A 7 169.749 8.354 7.956 1.00 0.00 H new ATOM 0 HH TYR A 7 171.536 8.272 9.256 1.00 0.00 H new ATOM 39 N VAL A 8 170.010 12.062 5.350 1.00 0.00 N ATOM 40 CA VAL A 8 170.826 11.267 4.449 1.00 0.00 C ATOM 41 C VAL A 8 171.514 10.127 5.190 1.00 0.00 C ATOM 42 O VAL A 8 171.655 10.162 6.411 1.00 0.00 O ATOM 43 CB VAL A 8 171.899 12.139 3.784 1.00 0.00 C ATOM 44 CG1 VAL A 8 172.690 11.343 2.756 1.00 0.00 C ATOM 45 CG2 VAL A 8 171.270 13.372 3.152 1.00 0.00 C ATOM 0 H VAL A 8 170.430 12.222 6.266 1.00 0.00 H new ATOM 0 HA VAL A 8 170.162 10.853 3.690 1.00 0.00 H new ATOM 0 HB VAL A 8 172.595 12.469 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 8 173.444 11.985 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 8 173.179 10.501 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 8 172.015 10.972 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 8 172.047 13.978 2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 8 170.547 13.065 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 8 170.766 13.958 3.921 1.00 0.00 H new ATOM 55 N VAL A 9 171.947 9.124 4.440 1.00 0.00 N ATOM 56 CA VAL A 9 172.628 7.972 5.018 1.00 0.00 C ATOM 57 C VAL A 9 174.088 8.294 5.333 1.00 0.00 C ATOM 58 O VAL A 9 174.754 8.992 4.569 1.00 0.00 O ATOM 59 CB VAL A 9 172.581 6.764 4.062 1.00 0.00 C ATOM 60 CG1 VAL A 9 173.191 7.126 2.716 1.00 0.00 C ATOM 61 CG2 VAL A 9 173.292 5.562 4.671 1.00 0.00 C ATOM 0 H VAL A 9 171.839 9.084 3.427 1.00 0.00 H new ATOM 0 HA VAL A 9 172.106 7.724 5.942 1.00 0.00 H new ATOM 0 HB VAL A 9 171.537 6.493 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 9 173.150 6.261 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 9 172.632 7.950 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 9 174.229 7.426 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 9 173.245 4.722 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 9 174.334 5.815 4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 9 172.806 5.287 5.607 1.00 0.00 H new ATOM 71 N PRO A 10 174.608 7.784 6.467 1.00 0.00 N ATOM 72 CA PRO A 10 175.999 8.014 6.875 1.00 0.00 C ATOM 73 C PRO A 10 176.989 7.679 5.767 1.00 0.00 C ATOM 74 O PRO A 10 176.601 7.468 4.618 1.00 0.00 O ATOM 75 CB PRO A 10 176.176 7.060 8.054 1.00 0.00 C ATOM 76 CG PRO A 10 174.811 6.932 8.626 1.00 0.00 C ATOM 77 CD PRO A 10 173.884 6.944 7.443 1.00 0.00 C ATOM 0 HA PRO A 10 176.189 9.059 7.119 1.00 0.00 H new ATOM 0 HB2 PRO A 10 176.565 6.094 7.730 1.00 0.00 H new ATOM 0 HB3 PRO A 10 176.879 7.457 8.786 1.00 0.00 H new ATOM 0 HG2 PRO A 10 174.708 6.009 9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 10 174.591 7.754 9.307 1.00 0.00 H new ATOM 0 HD2 PRO A 10 173.706 5.940 7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 10 172.911 7.365 7.696 1.00 0.00 H new ATOM 85 N SER A 11 178.271 7.640 6.110 1.00 0.00 N ATOM 86 CA SER A 11 179.304 7.344 5.130 1.00 0.00 C ATOM 87 C SER A 11 179.891 5.956 5.314 1.00 0.00 C ATOM 88 O SER A 11 180.121 5.503 6.437 1.00 0.00 O ATOM 89 CB SER A 11 180.410 8.394 5.203 1.00 0.00 C ATOM 90 OG SER A 11 181.202 8.388 4.029 1.00 0.00 O ATOM 0 H SER A 11 178.617 7.809 7.055 1.00 0.00 H new ATOM 0 HA SER A 11 178.836 7.371 4.146 1.00 0.00 H new ATOM 0 HB2 SER A 11 179.969 9.381 5.342 1.00 0.00 H new ATOM 0 HB3 SER A 11 181.041 8.202 6.071 1.00 0.00 H new ATOM 0 HG SER A 11 181.470 9.305 3.810 1.00 0.00 H new ATOM 96 N ALA A 12 180.132 5.286 4.192 1.00 0.00 N ATOM 97 CA ALA A 12 180.697 3.948 4.205 1.00 0.00 C ATOM 98 C ALA A 12 182.217 3.992 4.305 1.00 0.00 C ATOM 99 O ALA A 12 182.895 4.465 3.393 1.00 0.00 O ATOM 100 CB ALA A 12 180.270 3.185 2.960 1.00 0.00 C ATOM 0 H ALA A 12 179.943 5.653 3.259 1.00 0.00 H new ATOM 0 HA ALA A 12 180.318 3.429 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 12 180.700 2.184 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 12 179.183 3.113 2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 12 180.621 3.711 2.072 1.00 0.00 H new ATOM 106 N LYS A 13 182.748 3.485 5.413 1.00 0.00 N ATOM 107 CA LYS A 13 184.189 3.456 5.624 1.00 0.00 C ATOM 108 C LYS A 13 184.792 2.259 4.900 1.00 0.00 C ATOM 109 O LYS A 13 184.614 1.117 5.320 1.00 0.00 O ATOM 110 CB LYS A 13 184.510 3.388 7.120 1.00 0.00 C ATOM 111 CG LYS A 13 185.505 4.442 7.577 1.00 0.00 C ATOM 112 CD LYS A 13 186.613 3.836 8.427 1.00 0.00 C ATOM 113 CE LYS A 13 186.873 4.660 9.679 1.00 0.00 C ATOM 114 NZ LYS A 13 185.974 4.265 10.799 1.00 0.00 N ATOM 0 H LYS A 13 182.201 3.089 6.178 1.00 0.00 H new ATOM 0 HA LYS A 13 184.623 4.371 5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 13 183.586 3.502 7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 13 184.907 2.400 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 13 185.941 4.933 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 13 184.985 5.210 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 13 186.340 2.819 8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 13 187.528 3.769 7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 13 187.912 4.537 9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 13 186.731 5.717 9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 186.182 4.849 11.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 184.983 4.407 10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 186.128 3.263 11.031 1.00 0.00 H new ATOM 128 N LEU A 14 185.483 2.528 3.795 1.00 0.00 N ATOM 129 CA LEU A 14 186.089 1.469 2.996 1.00 0.00 C ATOM 130 C LEU A 14 187.570 1.288 3.316 1.00 0.00 C ATOM 131 O LEU A 14 188.257 2.229 3.714 1.00 0.00 O ATOM 132 CB LEU A 14 185.921 1.773 1.507 1.00 0.00 C ATOM 133 CG LEU A 14 184.480 2.003 1.047 1.00 0.00 C ATOM 134 CD1 LEU A 14 184.155 3.489 1.043 1.00 0.00 C ATOM 135 CD2 LEU A 14 184.254 1.402 -0.335 1.00 0.00 C ATOM 0 H LEU A 14 185.636 3.469 3.434 1.00 0.00 H new ATOM 0 HA LEU A 14 185.576 0.540 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 14 186.508 2.659 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 14 186.341 0.946 0.934 1.00 0.00 H new ATOM 0 HG LEU A 14 183.811 1.505 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 14 183.126 3.636 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 14 184.274 3.890 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 14 184.831 4.007 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 14 183.223 1.576 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 14 184.931 1.869 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 14 184.446 0.330 -0.301 1.00 0.00 H new ATOM 147 N GLU A 15 188.050 0.065 3.117 1.00 0.00 N ATOM 148 CA GLU A 15 189.445 -0.275 3.355 1.00 0.00 C ATOM 149 C GLU A 15 189.927 -1.247 2.283 1.00 0.00 C ATOM 150 O GLU A 15 189.207 -2.179 1.921 1.00 0.00 O ATOM 151 CB GLU A 15 189.613 -0.898 4.743 1.00 0.00 C ATOM 152 CG GLU A 15 189.939 0.114 5.829 1.00 0.00 C ATOM 153 CD GLU A 15 189.877 -0.484 7.221 1.00 0.00 C ATOM 154 OE1 GLU A 15 190.338 -1.632 7.395 1.00 0.00 O ATOM 155 OE2 GLU A 15 189.367 0.196 8.137 1.00 0.00 O ATOM 0 H GLU A 15 187.483 -0.716 2.787 1.00 0.00 H new ATOM 0 HA GLU A 15 190.043 0.635 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 15 188.695 -1.422 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 15 190.406 -1.644 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 15 190.936 0.519 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 15 189.240 0.948 5.765 1.00 0.00 H new ATOM 162 N ALA A 16 191.131 -1.028 1.758 1.00 0.00 N ATOM 163 CA ALA A 16 191.661 -1.899 0.713 1.00 0.00 C ATOM 164 C ALA A 16 192.369 -3.109 1.311 1.00 0.00 C ATOM 165 O ALA A 16 193.524 -3.030 1.724 1.00 0.00 O ATOM 166 CB ALA A 16 192.603 -1.123 -0.195 1.00 0.00 C ATOM 0 H ALA A 16 191.750 -0.266 2.035 1.00 0.00 H new ATOM 0 HA ALA A 16 190.823 -2.263 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 16 192.990 -1.786 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 16 192.063 -0.298 -0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 16 193.432 -0.728 0.393 1.00 0.00 H new ATOM 172 N ILE A 17 191.654 -4.231 1.352 1.00 0.00 N ATOM 173 CA ILE A 17 192.190 -5.471 1.900 1.00 0.00 C ATOM 174 C ILE A 17 193.192 -6.115 0.947 1.00 0.00 C ATOM 175 O ILE A 17 193.067 -6.002 -0.273 1.00 0.00 O ATOM 176 CB ILE A 17 191.062 -6.480 2.197 1.00 0.00 C ATOM 177 CG1 ILE A 17 189.933 -5.802 2.977 1.00 0.00 C ATOM 178 CG2 ILE A 17 191.603 -7.673 2.970 1.00 0.00 C ATOM 179 CD1 ILE A 17 190.370 -5.255 4.319 1.00 0.00 C ATOM 0 H ILE A 17 190.696 -4.305 1.009 1.00 0.00 H new ATOM 0 HA ILE A 17 192.698 -5.211 2.829 1.00 0.00 H new ATOM 0 HB ILE A 17 190.661 -6.839 1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 17 189.525 -4.988 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 17 189.127 -6.519 3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 17 190.793 -8.374 3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 17 192.375 -8.169 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 17 192.030 -7.332 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 17 189.519 -4.789 4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 17 190.750 -6.068 4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 17 191.155 -4.514 4.171 1.00 0.00 H new ATOM 191 N TYR A 18 194.185 -6.794 1.513 1.00 0.00 N ATOM 192 CA TYR A 18 195.211 -7.462 0.719 1.00 0.00 C ATOM 193 C TYR A 18 195.004 -8.978 0.740 1.00 0.00 C ATOM 194 O TYR A 18 194.547 -9.531 1.740 1.00 0.00 O ATOM 195 CB TYR A 18 196.604 -7.115 1.254 1.00 0.00 C ATOM 196 CG TYR A 18 197.564 -6.641 0.187 1.00 0.00 C ATOM 197 CD1 TYR A 18 197.432 -5.382 -0.386 1.00 0.00 C ATOM 198 CD2 TYR A 18 198.606 -7.452 -0.246 1.00 0.00 C ATOM 199 CE1 TYR A 18 198.309 -4.946 -1.360 1.00 0.00 C ATOM 200 CE2 TYR A 18 199.487 -7.023 -1.219 1.00 0.00 C ATOM 201 CZ TYR A 18 199.335 -5.771 -1.774 1.00 0.00 C ATOM 202 OH TYR A 18 200.212 -5.340 -2.744 1.00 0.00 O ATOM 0 H TYR A 18 194.301 -6.896 2.521 1.00 0.00 H new ATOM 0 HA TYR A 18 195.131 -7.114 -0.311 1.00 0.00 H new ATOM 0 HB2 TYR A 18 196.509 -6.340 2.015 1.00 0.00 H new ATOM 0 HB3 TYR A 18 197.024 -7.993 1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 18 196.630 -4.734 -0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 18 198.729 -8.434 0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 18 198.192 -3.965 -1.795 1.00 0.00 H new ATOM 0 HE2 TYR A 18 200.292 -7.666 -1.544 1.00 0.00 H new ATOM 0 HH TYR A 18 200.875 -6.040 -2.920 1.00 0.00 H new ATOM 212 N PRO A 19 195.338 -9.675 -0.364 1.00 0.00 N ATOM 213 CA PRO A 19 195.881 -9.077 -1.575 1.00 0.00 C ATOM 214 C PRO A 19 194.790 -8.682 -2.567 1.00 0.00 C ATOM 215 O PRO A 19 195.079 -8.220 -3.671 1.00 0.00 O ATOM 216 CB PRO A 19 196.752 -10.200 -2.155 1.00 0.00 C ATOM 217 CG PRO A 19 196.347 -11.463 -1.445 1.00 0.00 C ATOM 218 CD PRO A 19 195.207 -11.120 -0.520 1.00 0.00 C ATOM 0 HA PRO A 19 196.424 -8.154 -1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 19 196.600 -10.293 -3.230 1.00 0.00 H new ATOM 0 HB3 PRO A 19 197.810 -9.990 -2.000 1.00 0.00 H new ATOM 0 HG2 PRO A 19 196.042 -12.225 -2.163 1.00 0.00 H new ATOM 0 HG3 PRO A 19 197.186 -11.872 -0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 19 194.243 -11.394 -0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 19 195.291 -11.639 0.435 1.00 0.00 H new ATOM 226 N ARG A 20 193.535 -8.864 -2.165 1.00 0.00 N ATOM 227 CA ARG A 20 192.407 -8.527 -3.014 1.00 0.00 C ATOM 228 C ARG A 20 191.094 -8.667 -2.252 1.00 0.00 C ATOM 229 O ARG A 20 190.381 -9.661 -2.401 1.00 0.00 O ATOM 230 CB ARG A 20 192.391 -9.413 -4.261 1.00 0.00 C ATOM 231 CG ARG A 20 192.564 -10.892 -3.957 1.00 0.00 C ATOM 232 CD ARG A 20 193.761 -11.480 -4.693 1.00 0.00 C ATOM 233 NE ARG A 20 193.383 -12.053 -5.981 1.00 0.00 N ATOM 234 CZ ARG A 20 192.820 -13.252 -6.124 1.00 0.00 C ATOM 235 NH1 ARG A 20 192.567 -14.005 -5.059 1.00 0.00 N ATOM 236 NH2 ARG A 20 192.510 -13.699 -7.333 1.00 0.00 N ATOM 0 H ARG A 20 193.278 -9.244 -1.254 1.00 0.00 H new ATOM 0 HA ARG A 20 192.516 -7.488 -3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 20 191.449 -9.267 -4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 20 193.186 -9.093 -4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 20 192.692 -11.031 -2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 20 191.660 -11.431 -4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 20 194.509 -10.703 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 20 194.224 -12.250 -4.076 1.00 0.00 H new ATOM 0 HE ARG A 20 193.560 -11.503 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 20 192.804 -13.666 -4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 20 192.136 -14.922 -5.174 1.00 0.00 H new ATOM 0 HH21 ARG A 20 192.703 -13.125 -8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 20 192.079 -14.617 -7.442 1.00 0.00 H new ATOM 250 N GLY A 21 190.779 -7.665 -1.438 1.00 0.00 N ATOM 251 CA GLY A 21 189.553 -7.693 -0.666 1.00 0.00 C ATOM 252 C GLY A 21 188.958 -6.311 -0.472 1.00 0.00 C ATOM 253 O GLY A 21 189.423 -5.341 -1.067 1.00 0.00 O ATOM 0 H GLY A 21 191.353 -6.833 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 21 188.826 -8.331 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 21 189.751 -8.140 0.308 1.00 0.00 H new ATOM 257 N LEU A 22 187.923 -6.222 0.359 1.00 0.00 N ATOM 258 CA LEU A 22 187.265 -4.947 0.622 1.00 0.00 C ATOM 259 C LEU A 22 186.579 -4.953 1.986 1.00 0.00 C ATOM 260 O LEU A 22 186.015 -5.962 2.406 1.00 0.00 O ATOM 261 CB LEU A 22 186.244 -4.646 -0.481 1.00 0.00 C ATOM 262 CG LEU A 22 185.290 -3.481 -0.197 1.00 0.00 C ATOM 263 CD1 LEU A 22 186.068 -2.221 0.158 1.00 0.00 C ATOM 264 CD2 LEU A 22 184.387 -3.232 -1.397 1.00 0.00 C ATOM 0 H LEU A 22 187.523 -7.015 0.860 1.00 0.00 H new ATOM 0 HA LEU A 22 188.026 -4.166 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 22 186.784 -4.434 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 22 185.651 -5.543 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 22 184.667 -3.747 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 22 185.371 -1.407 0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 22 186.673 -2.405 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 22 186.718 -1.948 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 22 183.715 -2.402 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 22 184.997 -2.988 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 22 183.802 -4.128 -1.604 1.00 0.00 H new ATOM 276 N ARG A 23 186.630 -3.813 2.671 1.00 0.00 N ATOM 277 CA ARG A 23 186.012 -3.677 3.987 1.00 0.00 C ATOM 278 C ARG A 23 185.250 -2.357 4.084 1.00 0.00 C ATOM 279 O ARG A 23 185.848 -1.305 4.310 1.00 0.00 O ATOM 280 CB ARG A 23 187.076 -3.752 5.085 1.00 0.00 C ATOM 281 CG ARG A 23 187.089 -5.078 5.830 1.00 0.00 C ATOM 282 CD ARG A 23 186.527 -4.935 7.235 1.00 0.00 C ATOM 283 NE ARG A 23 187.582 -4.824 8.239 1.00 0.00 N ATOM 284 CZ ARG A 23 187.378 -4.406 9.486 1.00 0.00 C ATOM 285 NH1 ARG A 23 186.161 -4.062 9.887 1.00 0.00 N ATOM 286 NH2 ARG A 23 188.395 -4.335 10.336 1.00 0.00 N ATOM 0 H ARG A 23 187.094 -2.969 2.335 1.00 0.00 H new ATOM 0 HA ARG A 23 185.308 -4.498 4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 23 188.057 -3.585 4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 23 186.907 -2.945 5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 23 186.504 -5.813 5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 23 188.110 -5.457 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 23 185.888 -4.053 7.282 1.00 0.00 H new ATOM 0 HD3 ARG A 23 185.899 -5.796 7.463 1.00 0.00 H new ATOM 0 HE ARG A 23 188.531 -5.082 7.969 1.00 0.00 H new ATOM 0 HH11 ARG A 23 185.376 -4.117 9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 23 186.011 -3.742 10.844 1.00 0.00 H new ATOM 0 HH21 ARG A 23 189.332 -4.601 10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 23 188.239 -4.015 11.292 1.00 0.00 H new ATOM 300 N VAL A 24 183.933 -2.416 3.902 1.00 0.00 N ATOM 301 CA VAL A 24 183.099 -1.220 3.958 1.00 0.00 C ATOM 302 C VAL A 24 182.089 -1.282 5.102 1.00 0.00 C ATOM 303 O VAL A 24 181.527 -2.340 5.388 1.00 0.00 O ATOM 304 CB VAL A 24 182.335 -1.018 2.635 1.00 0.00 C ATOM 305 CG1 VAL A 24 181.652 0.340 2.616 1.00 0.00 C ATOM 306 CG2 VAL A 24 183.273 -1.171 1.447 1.00 0.00 C ATOM 0 H VAL A 24 183.422 -3.278 3.715 1.00 0.00 H new ATOM 0 HA VAL A 24 183.773 -0.381 4.128 1.00 0.00 H new ATOM 0 HB VAL A 24 181.565 -1.786 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 24 181.117 0.465 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 24 180.947 0.404 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 24 182.401 1.125 2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 24 182.715 -1.025 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 24 184.068 -0.428 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 24 183.709 -2.170 1.454 1.00 0.00 H new ATOM 316 N SER A 25 181.853 -0.139 5.746 1.00 0.00 N ATOM 317 CA SER A 25 180.898 -0.067 6.850 1.00 0.00 C ATOM 318 C SER A 25 180.181 1.282 6.882 1.00 0.00 C ATOM 319 O SER A 25 180.785 2.322 6.630 1.00 0.00 O ATOM 320 CB SER A 25 181.597 -0.309 8.187 1.00 0.00 C ATOM 321 OG SER A 25 182.842 -0.959 8.004 1.00 0.00 O ATOM 0 H SER A 25 182.308 0.746 5.523 1.00 0.00 H new ATOM 0 HA SER A 25 180.156 -0.848 6.687 1.00 0.00 H new ATOM 0 HB2 SER A 25 181.752 0.642 8.697 1.00 0.00 H new ATOM 0 HB3 SER A 25 180.958 -0.915 8.830 1.00 0.00 H new ATOM 0 HG SER A 25 183.268 -1.100 8.875 1.00 0.00 H new ATOM 327 N ILE A 26 178.894 1.246 7.208 1.00 0.00 N ATOM 328 CA ILE A 26 178.069 2.457 7.284 1.00 0.00 C ATOM 329 C ILE A 26 177.193 2.438 8.536 1.00 0.00 C ATOM 330 O ILE A 26 176.370 1.538 8.703 1.00 0.00 O ATOM 331 CB ILE A 26 177.136 2.583 6.066 1.00 0.00 C ATOM 332 CG1 ILE A 26 176.364 1.279 5.850 1.00 0.00 C ATOM 333 CG2 ILE A 26 177.925 2.959 4.823 1.00 0.00 C ATOM 334 CD1 ILE A 26 174.879 1.404 6.118 1.00 0.00 C ATOM 0 H ILE A 26 178.391 0.386 7.427 1.00 0.00 H new ATOM 0 HA ILE A 26 178.758 3.301 7.310 1.00 0.00 H new ATOM 0 HB ILE A 26 176.416 3.378 6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 26 176.513 0.944 4.824 1.00 0.00 H new ATOM 0 HG13 ILE A 26 176.779 0.509 6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 26 177.247 3.043 3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 26 178.425 3.914 4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 26 178.670 2.190 4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 26 174.396 0.442 5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 26 174.720 1.709 7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 26 174.450 2.151 5.450 1.00 0.00 H new ATOM 346 N PRO A 27 177.340 3.429 9.432 1.00 0.00 N ATOM 347 CA PRO A 27 176.536 3.499 10.655 1.00 0.00 C ATOM 348 C PRO A 27 175.051 3.256 10.384 1.00 0.00 C ATOM 349 O PRO A 27 174.435 3.951 9.579 1.00 0.00 O ATOM 350 CB PRO A 27 176.764 4.929 11.140 1.00 0.00 C ATOM 351 CG PRO A 27 178.120 5.287 10.631 1.00 0.00 C ATOM 352 CD PRO A 27 178.287 4.555 9.326 1.00 0.00 C ATOM 0 HA PRO A 27 176.821 2.737 11.380 1.00 0.00 H new ATOM 0 HB2 PRO A 27 176.003 5.606 10.751 1.00 0.00 H new ATOM 0 HB3 PRO A 27 176.720 4.991 12.227 1.00 0.00 H new ATOM 0 HG2 PRO A 27 178.210 6.364 10.487 1.00 0.00 H new ATOM 0 HG3 PRO A 27 178.892 4.995 11.343 1.00 0.00 H new ATOM 0 HD2 PRO A 27 178.054 5.195 8.475 1.00 0.00 H new ATOM 0 HD3 PRO A 27 179.311 4.206 9.191 1.00 0.00 H new ATOM 360 N ASP A 28 174.483 2.261 11.055 1.00 0.00 N ATOM 361 CA ASP A 28 173.073 1.926 10.880 1.00 0.00 C ATOM 362 C ASP A 28 172.179 2.883 11.658 1.00 0.00 C ATOM 363 O ASP A 28 172.615 3.526 12.614 1.00 0.00 O ATOM 364 CB ASP A 28 172.808 0.485 11.329 1.00 0.00 C ATOM 365 CG ASP A 28 171.337 0.111 11.264 1.00 0.00 C ATOM 366 OD1 ASP A 28 170.657 0.546 10.310 1.00 0.00 O ATOM 367 OD2 ASP A 28 170.868 -0.614 12.166 1.00 0.00 O ATOM 0 H ASP A 28 174.976 1.671 11.726 1.00 0.00 H new ATOM 0 HA ASP A 28 172.837 2.021 9.820 1.00 0.00 H new ATOM 0 HB2 ASP A 28 173.380 -0.198 10.701 1.00 0.00 H new ATOM 0 HB3 ASP A 28 173.167 0.355 12.350 1.00 0.00 H new ATOM 372 N ASP A 29 170.920 2.958 11.244 1.00 0.00 N ATOM 373 CA ASP A 29 169.942 3.818 11.895 1.00 0.00 C ATOM 374 C ASP A 29 168.569 3.157 11.864 1.00 0.00 C ATOM 375 O ASP A 29 167.567 3.789 11.532 1.00 0.00 O ATOM 376 CB ASP A 29 169.888 5.185 11.208 1.00 0.00 C ATOM 377 CG ASP A 29 169.752 6.324 12.198 1.00 0.00 C ATOM 378 OD1 ASP A 29 168.609 6.635 12.593 1.00 0.00 O ATOM 379 OD2 ASP A 29 170.789 6.908 12.578 1.00 0.00 O ATOM 0 H ASP A 29 170.551 2.429 10.454 1.00 0.00 H new ATOM 0 HA ASP A 29 170.241 3.967 12.932 1.00 0.00 H new ATOM 0 HB2 ASP A 29 170.792 5.327 10.617 1.00 0.00 H new ATOM 0 HB3 ASP A 29 169.047 5.207 10.515 1.00 0.00 H new ATOM 384 N GLY A 30 168.540 1.875 12.214 1.00 0.00 N ATOM 385 CA GLY A 30 167.302 1.134 12.222 1.00 0.00 C ATOM 386 C GLY A 30 166.746 0.912 10.830 1.00 0.00 C ATOM 387 O GLY A 30 165.533 0.958 10.626 1.00 0.00 O ATOM 0 H GLY A 30 169.360 1.337 12.493 1.00 0.00 H new ATOM 0 HA2 GLY A 30 167.464 0.169 12.703 1.00 0.00 H new ATOM 0 HA3 GLY A 30 166.566 1.670 12.822 1.00 0.00 H new ATOM 391 N PHE A 31 167.634 0.671 9.870 1.00 0.00 N ATOM 392 CA PHE A 31 167.220 0.441 8.493 1.00 0.00 C ATOM 393 C PHE A 31 166.803 -1.005 8.280 1.00 0.00 C ATOM 394 O PHE A 31 166.704 -1.787 9.225 1.00 0.00 O ATOM 395 CB PHE A 31 168.350 0.788 7.520 1.00 0.00 C ATOM 396 CG PHE A 31 168.994 2.117 7.795 1.00 0.00 C ATOM 397 CD1 PHE A 31 168.222 3.262 7.905 1.00 0.00 C ATOM 398 CD2 PHE A 31 170.368 2.222 7.943 1.00 0.00 C ATOM 399 CE1 PHE A 31 168.809 4.488 8.157 1.00 0.00 C ATOM 400 CE2 PHE A 31 170.961 3.445 8.194 1.00 0.00 C ATOM 401 CZ PHE A 31 170.179 4.579 8.301 1.00 0.00 C ATOM 0 H PHE A 31 168.642 0.630 10.021 1.00 0.00 H new ATOM 0 HA PHE A 31 166.365 1.089 8.299 1.00 0.00 H new ATOM 0 HB2 PHE A 31 169.111 0.009 7.567 1.00 0.00 H new ATOM 0 HB3 PHE A 31 167.956 0.788 6.504 1.00 0.00 H new ATOM 0 HD1 PHE A 31 167.150 3.196 7.793 1.00 0.00 H new ATOM 0 HD2 PHE A 31 170.983 1.338 7.861 1.00 0.00 H new ATOM 0 HE1 PHE A 31 168.197 5.374 8.241 1.00 0.00 H new ATOM 0 HE2 PHE A 31 172.033 3.514 8.306 1.00 0.00 H new ATOM 0 HZ PHE A 31 170.639 5.536 8.497 1.00 0.00 H new ATOM 411 N SER A 32 166.567 -1.342 7.024 1.00 0.00 N ATOM 412 CA SER A 32 166.164 -2.686 6.647 1.00 0.00 C ATOM 413 C SER A 32 167.002 -3.195 5.481 1.00 0.00 C ATOM 414 O SER A 32 167.186 -4.402 5.330 1.00 0.00 O ATOM 415 CB SER A 32 164.679 -2.714 6.279 1.00 0.00 C ATOM 416 OG SER A 32 164.272 -4.017 5.899 1.00 0.00 O ATOM 0 H SER A 32 166.649 -0.695 6.240 1.00 0.00 H new ATOM 0 HA SER A 32 166.328 -3.342 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 32 164.084 -2.377 7.128 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.491 -2.018 5.462 1.00 0.00 H new ATOM 0 HG SER A 32 163.319 -4.008 5.670 1.00 0.00 H new ATOM 422 N LEU A 33 167.523 -2.281 4.660 1.00 0.00 N ATOM 423 CA LEU A 33 168.349 -2.697 3.526 1.00 0.00 C ATOM 424 C LEU A 33 169.452 -1.701 3.220 1.00 0.00 C ATOM 425 O LEU A 33 169.207 -0.505 3.125 1.00 0.00 O ATOM 426 CB LEU A 33 167.515 -2.883 2.262 1.00 0.00 C ATOM 427 CG LEU A 33 168.148 -3.808 1.221 1.00 0.00 C ATOM 428 CD1 LEU A 33 168.163 -5.245 1.714 1.00 0.00 C ATOM 429 CD2 LEU A 33 167.421 -3.703 -0.110 1.00 0.00 C ATOM 0 H LEU A 33 167.393 -1.274 4.754 1.00 0.00 H new ATOM 0 HA LEU A 33 168.795 -3.647 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 33 166.539 -3.282 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 33 167.343 -1.907 1.807 1.00 0.00 H new ATOM 0 HG LEU A 33 169.179 -3.490 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 33 168.618 -5.885 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 33 168.741 -5.307 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 33 167.142 -5.576 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 33 167.889 -4.370 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 33 166.377 -3.987 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 33 167.475 -2.677 -0.474 1.00 0.00 H new ATOM 441 N PHE A 34 170.660 -2.219 3.035 1.00 0.00 N ATOM 442 CA PHE A 34 171.810 -1.399 2.698 1.00 0.00 C ATOM 443 C PHE A 34 172.361 -1.804 1.330 1.00 0.00 C ATOM 444 O PHE A 34 172.987 -2.855 1.193 1.00 0.00 O ATOM 445 CB PHE A 34 172.892 -1.551 3.761 1.00 0.00 C ATOM 446 CG PHE A 34 174.214 -0.956 3.363 1.00 0.00 C ATOM 447 CD1 PHE A 34 174.296 0.358 2.935 1.00 0.00 C ATOM 448 CD2 PHE A 34 175.371 -1.716 3.405 1.00 0.00 C ATOM 449 CE1 PHE A 34 175.507 0.904 2.555 1.00 0.00 C ATOM 450 CE2 PHE A 34 176.587 -1.175 3.029 1.00 0.00 C ATOM 451 CZ PHE A 34 176.654 0.136 2.602 1.00 0.00 C ATOM 0 H PHE A 34 170.866 -3.215 3.115 1.00 0.00 H new ATOM 0 HA PHE A 34 171.498 -0.355 2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 34 172.553 -1.078 4.683 1.00 0.00 H new ATOM 0 HB3 PHE A 34 173.030 -2.610 3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 34 173.403 0.964 2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 34 175.323 -2.743 3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 34 175.557 1.930 2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 34 177.483 -1.777 3.069 1.00 0.00 H new ATOM 0 HZ PHE A 34 177.602 0.560 2.305 1.00 0.00 H new ATOM 461 N ALA A 35 172.123 -0.971 0.321 1.00 0.00 N ATOM 462 CA ALA A 35 172.599 -1.258 -1.030 1.00 0.00 C ATOM 463 C ALA A 35 173.818 -0.407 -1.371 1.00 0.00 C ATOM 464 O ALA A 35 173.744 0.818 -1.391 1.00 0.00 O ATOM 465 CB ALA A 35 171.486 -1.027 -2.042 1.00 0.00 C ATOM 0 H ALA A 35 171.606 -0.096 0.411 1.00 0.00 H new ATOM 0 HA ALA A 35 172.897 -2.306 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 35 171.855 -1.245 -3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 35 170.645 -1.682 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 35 171.160 0.012 -1.993 1.00 0.00 H new ATOM 471 N PHE A 36 174.941 -1.067 -1.635 1.00 0.00 N ATOM 472 CA PHE A 36 176.173 -0.363 -1.970 1.00 0.00 C ATOM 473 C PHE A 36 176.496 -0.484 -3.456 1.00 0.00 C ATOM 474 O PHE A 36 176.568 -1.586 -3.996 1.00 0.00 O ATOM 475 CB PHE A 36 177.334 -0.911 -1.139 1.00 0.00 C ATOM 476 CG PHE A 36 178.614 -0.141 -1.311 1.00 0.00 C ATOM 477 CD1 PHE A 36 179.387 -0.302 -2.448 1.00 0.00 C ATOM 478 CD2 PHE A 36 179.042 0.741 -0.332 1.00 0.00 C ATOM 479 CE1 PHE A 36 180.565 0.404 -2.608 1.00 0.00 C ATOM 480 CE2 PHE A 36 180.220 1.448 -0.485 1.00 0.00 C ATOM 481 CZ PHE A 36 180.983 1.280 -1.625 1.00 0.00 C ATOM 0 H PHE A 36 175.023 -2.084 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 36 176.029 0.693 -1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 36 177.053 -0.901 -0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 36 177.506 -1.952 -1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 36 179.066 -0.987 -3.219 1.00 0.00 H new ATOM 0 HD2 PHE A 36 178.449 0.878 0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 36 181.158 0.271 -3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 36 180.544 2.131 0.286 1.00 0.00 H new ATOM 0 HZ PHE A 36 181.903 1.832 -1.747 1.00 0.00 H new ATOM 491 N HIS A 37 176.688 0.660 -4.105 1.00 0.00 N ATOM 492 CA HIS A 37 177.009 0.712 -5.517 1.00 0.00 C ATOM 493 C HIS A 37 178.295 1.508 -5.710 1.00 0.00 C ATOM 494 O HIS A 37 178.369 2.660 -5.290 1.00 0.00 O ATOM 495 CB HIS A 37 175.869 1.396 -6.257 1.00 0.00 C ATOM 496 CG HIS A 37 175.157 0.511 -7.233 1.00 0.00 C ATOM 497 ND1 HIS A 37 175.157 -0.867 -7.137 1.00 0.00 N ATOM 498 CD2 HIS A 37 174.401 0.810 -8.315 1.00 0.00 C ATOM 499 CE1 HIS A 37 174.433 -1.373 -8.118 1.00 0.00 C ATOM 500 NE2 HIS A 37 173.963 -0.377 -8.846 1.00 0.00 N ATOM 0 H HIS A 37 176.624 1.576 -3.661 1.00 0.00 H new ATOM 0 HA HIS A 37 177.146 -0.297 -5.907 1.00 0.00 H new ATOM 0 HB2 HIS A 37 175.149 1.769 -5.529 1.00 0.00 H new ATOM 0 HB3 HIS A 37 176.263 2.262 -6.788 1.00 0.00 H new ATOM 0 HD2 HIS A 37 174.183 1.799 -8.691 1.00 0.00 H new ATOM 0 HE1 HIS A 37 174.255 -2.423 -8.295 1.00 0.00 H new ATOM 0 HE2 HIS A 37 173.370 -0.474 -9.670 1.00 0.00 H new ATOM 509 N GLY A 38 179.311 0.908 -6.328 1.00 0.00 N ATOM 510 CA GLY A 38 180.554 1.640 -6.507 1.00 0.00 C ATOM 511 C GLY A 38 181.390 1.168 -7.675 1.00 0.00 C ATOM 512 O GLY A 38 181.550 -0.032 -7.892 1.00 0.00 O ATOM 0 H GLY A 38 179.299 -0.043 -6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 38 180.324 2.697 -6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 38 181.145 1.558 -5.595 1.00 0.00 H new ATOM 516 N LYS A 39 181.943 2.125 -8.412 1.00 0.00 N ATOM 517 CA LYS A 39 182.795 1.826 -9.554 1.00 0.00 C ATOM 518 C LYS A 39 184.234 2.230 -9.253 1.00 0.00 C ATOM 519 O LYS A 39 184.478 3.247 -8.598 1.00 0.00 O ATOM 520 CB LYS A 39 182.293 2.556 -10.802 1.00 0.00 C ATOM 521 CG LYS A 39 182.690 1.877 -12.104 1.00 0.00 C ATOM 522 CD LYS A 39 182.206 2.662 -13.313 1.00 0.00 C ATOM 523 CE LYS A 39 180.952 2.045 -13.914 1.00 0.00 C ATOM 524 NZ LYS A 39 181.001 2.022 -15.401 1.00 0.00 N ATOM 0 H LYS A 39 181.814 3.121 -8.236 1.00 0.00 H new ATOM 0 HA LYS A 39 182.760 0.753 -9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 39 181.206 2.630 -10.757 1.00 0.00 H new ATOM 0 HB3 LYS A 39 182.683 3.574 -10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 39 183.774 1.774 -12.146 1.00 0.00 H new ATOM 0 HG3 LYS A 39 182.273 0.870 -12.132 1.00 0.00 H new ATOM 0 HD2 LYS A 39 182.002 3.692 -13.021 1.00 0.00 H new ATOM 0 HD3 LYS A 39 182.993 2.694 -14.066 1.00 0.00 H new ATOM 0 HE2 LYS A 39 180.833 1.028 -13.539 1.00 0.00 H new ATOM 0 HE3 LYS A 39 180.078 2.609 -13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 180.089 1.689 -15.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 181.191 2.981 -15.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 181.758 1.380 -15.714 1.00 0.00 H new ATOM 538 N LEU A 40 185.183 1.430 -9.722 1.00 0.00 N ATOM 539 CA LEU A 40 186.594 1.707 -9.489 1.00 0.00 C ATOM 540 C LEU A 40 187.221 2.419 -10.684 1.00 0.00 C ATOM 541 O LEU A 40 187.147 1.942 -11.816 1.00 0.00 O ATOM 542 CB LEU A 40 187.349 0.408 -9.200 1.00 0.00 C ATOM 543 CG LEU A 40 188.828 0.581 -8.853 1.00 0.00 C ATOM 544 CD1 LEU A 40 188.983 1.234 -7.488 1.00 0.00 C ATOM 545 CD2 LEU A 40 189.543 -0.761 -8.889 1.00 0.00 C ATOM 0 H LEU A 40 185.002 0.586 -10.265 1.00 0.00 H new ATOM 0 HA LEU A 40 186.668 2.365 -8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 40 186.856 -0.105 -8.374 1.00 0.00 H new ATOM 0 HB3 LEU A 40 187.270 -0.242 -10.072 1.00 0.00 H new ATOM 0 HG LEU A 40 189.283 1.233 -9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 40 190.042 1.349 -7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 40 188.505 2.214 -7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 40 188.513 0.608 -6.730 1.00 0.00 H new ATOM 0 HD21 LEU A 40 190.595 -0.620 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 40 189.086 -1.436 -8.166 1.00 0.00 H new ATOM 0 HD23 LEU A 40 189.461 -1.190 -9.888 1.00 0.00 H new ATOM 557 N ASN A 41 187.841 3.565 -10.420 1.00 0.00 N ATOM 558 CA ASN A 41 188.487 4.349 -11.469 1.00 0.00 C ATOM 559 C ASN A 41 187.469 4.852 -12.489 1.00 0.00 C ATOM 560 O ASN A 41 187.649 4.685 -13.695 1.00 0.00 O ATOM 561 CB ASN A 41 189.563 3.513 -12.166 1.00 0.00 C ATOM 562 CG ASN A 41 190.869 4.266 -12.327 1.00 0.00 C ATOM 563 OD1 ASN A 41 191.145 5.217 -11.597 1.00 0.00 O ATOM 564 ND2 ASN A 41 191.681 3.844 -13.291 1.00 0.00 N ATOM 0 H ASN A 41 187.910 3.972 -9.487 1.00 0.00 H new ATOM 0 HA ASN A 41 188.955 5.216 -11.003 1.00 0.00 H new ATOM 0 HB2 ASN A 41 189.740 2.603 -11.592 1.00 0.00 H new ATOM 0 HB3 ASN A 41 189.201 3.206 -13.147 1.00 0.00 H new ATOM 0 HD21 ASN A 41 192.573 4.313 -13.448 1.00 0.00 H new ATOM 0 HD22 ASN A 41 191.412 3.051 -13.873 1.00 0.00 H new ATOM 571 N GLU A 42 186.404 5.479 -11.995 1.00 0.00 N ATOM 572 CA GLU A 42 185.360 6.019 -12.854 1.00 0.00 C ATOM 573 C GLU A 42 184.229 6.600 -12.020 1.00 0.00 C ATOM 574 O GLU A 42 183.470 5.872 -11.380 1.00 0.00 O ATOM 575 CB GLU A 42 184.803 4.952 -13.796 1.00 0.00 C ATOM 576 CG GLU A 42 183.791 5.509 -14.782 1.00 0.00 C ATOM 577 CD GLU A 42 183.290 4.466 -15.761 1.00 0.00 C ATOM 578 OE1 GLU A 42 184.120 3.687 -16.273 1.00 0.00 O ATOM 579 OE2 GLU A 42 182.068 4.429 -16.015 1.00 0.00 O ATOM 0 H GLU A 42 186.243 5.625 -10.998 1.00 0.00 H new ATOM 0 HA GLU A 42 185.810 6.809 -13.455 1.00 0.00 H new ATOM 0 HB2 GLU A 42 185.625 4.494 -14.346 1.00 0.00 H new ATOM 0 HB3 GLU A 42 184.334 4.163 -13.208 1.00 0.00 H new ATOM 0 HG2 GLU A 42 182.945 5.922 -14.233 1.00 0.00 H new ATOM 0 HG3 GLU A 42 184.244 6.332 -15.335 1.00 0.00 H new ATOM 586 N GLU A 43 184.131 7.918 -12.034 1.00 0.00 N ATOM 587 CA GLU A 43 183.101 8.624 -11.280 1.00 0.00 C ATOM 588 C GLU A 43 181.705 8.162 -11.680 1.00 0.00 C ATOM 589 O GLU A 43 181.540 7.152 -12.365 1.00 0.00 O ATOM 590 CB GLU A 43 183.228 10.134 -11.494 1.00 0.00 C ATOM 591 CG GLU A 43 184.629 10.656 -11.253 1.00 0.00 C ATOM 592 CD GLU A 43 184.770 12.132 -11.571 1.00 0.00 C ATOM 593 OE1 GLU A 43 184.333 12.546 -12.665 1.00 0.00 O ATOM 594 OE2 GLU A 43 185.316 12.873 -10.727 1.00 0.00 O ATOM 0 H GLU A 43 184.755 8.527 -12.562 1.00 0.00 H new ATOM 0 HA GLU A 43 183.247 8.395 -10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 43 182.928 10.376 -12.513 1.00 0.00 H new ATOM 0 HB3 GLU A 43 182.536 10.648 -10.827 1.00 0.00 H new ATOM 0 HG2 GLU A 43 184.901 10.486 -10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 43 185.333 10.089 -11.862 1.00 0.00 H new ATOM 601 N MET A 44 180.706 8.916 -11.242 1.00 0.00 N ATOM 602 CA MET A 44 179.313 8.607 -11.539 1.00 0.00 C ATOM 603 C MET A 44 178.426 9.807 -11.226 1.00 0.00 C ATOM 604 O MET A 44 178.795 10.675 -10.437 1.00 0.00 O ATOM 605 CB MET A 44 178.843 7.380 -10.743 1.00 0.00 C ATOM 606 CG MET A 44 179.750 7.010 -9.580 1.00 0.00 C ATOM 607 SD MET A 44 178.850 6.272 -8.201 1.00 0.00 S ATOM 608 CE MET A 44 178.494 4.639 -8.847 1.00 0.00 C ATOM 0 H MET A 44 180.836 9.754 -10.675 1.00 0.00 H new ATOM 0 HA MET A 44 179.235 8.377 -12.602 1.00 0.00 H new ATOM 0 HB2 MET A 44 177.840 7.570 -10.361 1.00 0.00 H new ATOM 0 HB3 MET A 44 178.771 6.528 -11.419 1.00 0.00 H new ATOM 0 HG2 MET A 44 180.512 6.311 -9.927 1.00 0.00 H new ATOM 0 HG3 MET A 44 180.271 7.902 -9.233 1.00 0.00 H new ATOM 0 HE1 MET A 44 178.271 3.962 -8.022 1.00 0.00 H new ATOM 0 HE2 MET A 44 177.635 4.692 -9.515 1.00 0.00 H new ATOM 0 HE3 MET A 44 179.359 4.269 -9.397 1.00 0.00 H new ATOM 618 N ASP A 45 177.255 9.854 -11.853 1.00 0.00 N ATOM 619 CA ASP A 45 176.320 10.951 -11.642 1.00 0.00 C ATOM 620 C ASP A 45 174.881 10.448 -11.657 1.00 0.00 C ATOM 621 O ASP A 45 174.025 10.992 -12.354 1.00 0.00 O ATOM 622 CB ASP A 45 176.514 12.021 -12.715 1.00 0.00 C ATOM 623 CG ASP A 45 175.894 13.350 -12.329 1.00 0.00 C ATOM 624 OD1 ASP A 45 175.651 13.563 -11.123 1.00 0.00 O ATOM 625 OD2 ASP A 45 175.652 14.178 -13.232 1.00 0.00 O ATOM 0 H ASP A 45 176.932 9.145 -12.511 1.00 0.00 H new ATOM 0 HA ASP A 45 176.520 11.388 -10.664 1.00 0.00 H new ATOM 0 HB2 ASP A 45 177.580 12.160 -12.896 1.00 0.00 H new ATOM 0 HB3 ASP A 45 176.074 11.677 -13.651 1.00 0.00 H new ATOM 630 N GLY A 46 174.627 9.397 -10.886 1.00 0.00 N ATOM 631 CA GLY A 46 173.313 8.822 -10.817 1.00 0.00 C ATOM 632 C GLY A 46 173.331 7.491 -10.103 1.00 0.00 C ATOM 633 O GLY A 46 173.997 7.337 -9.079 1.00 0.00 O ATOM 0 H GLY A 46 175.324 8.933 -10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 46 172.642 9.506 -10.298 1.00 0.00 H new ATOM 0 HA3 GLY A 46 172.918 8.691 -11.824 1.00 0.00 H new ATOM 637 N LEU A 47 172.595 6.529 -10.636 1.00 0.00 N ATOM 638 CA LEU A 47 172.522 5.216 -10.046 1.00 0.00 C ATOM 639 C LEU A 47 172.989 4.149 -11.025 1.00 0.00 C ATOM 640 O LEU A 47 172.207 3.316 -11.483 1.00 0.00 O ATOM 641 CB LEU A 47 171.091 4.975 -9.616 1.00 0.00 C ATOM 642 CG LEU A 47 170.561 6.033 -8.656 1.00 0.00 C ATOM 643 CD1 LEU A 47 169.042 5.992 -8.586 1.00 0.00 C ATOM 644 CD2 LEU A 47 171.174 5.841 -7.279 1.00 0.00 C ATOM 0 H LEU A 47 172.038 6.642 -11.483 1.00 0.00 H new ATOM 0 HA LEU A 47 173.183 5.159 -9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 47 170.454 4.945 -10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 47 171.022 3.997 -9.141 1.00 0.00 H new ATOM 0 HG LEU A 47 170.848 7.016 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 47 168.689 6.757 -7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 47 168.627 6.179 -9.576 1.00 0.00 H new ATOM 0 HD13 LEU A 47 168.720 5.011 -8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 47 170.789 6.602 -6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 47 170.915 4.852 -6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 47 172.258 5.931 -7.348 1.00 0.00 H new ATOM 656 N GLU A 48 174.278 4.186 -11.341 1.00 0.00 N ATOM 657 CA GLU A 48 174.870 3.229 -12.268 1.00 0.00 C ATOM 658 C GLU A 48 175.331 1.974 -11.535 1.00 0.00 C ATOM 659 O GLU A 48 175.742 2.034 -10.375 1.00 0.00 O ATOM 660 CB GLU A 48 176.051 3.864 -13.006 1.00 0.00 C ATOM 661 CG GLU A 48 175.651 4.603 -14.273 1.00 0.00 C ATOM 662 CD GLU A 48 176.427 4.138 -15.491 1.00 0.00 C ATOM 663 OE1 GLU A 48 177.653 4.377 -15.540 1.00 0.00 O ATOM 664 OE2 GLU A 48 175.811 3.536 -16.394 1.00 0.00 O ATOM 0 H GLU A 48 174.935 4.871 -10.968 1.00 0.00 H new ATOM 0 HA GLU A 48 174.107 2.945 -12.993 1.00 0.00 H new ATOM 0 HB2 GLU A 48 176.557 4.558 -12.335 1.00 0.00 H new ATOM 0 HB3 GLU A 48 176.770 3.086 -13.261 1.00 0.00 H new ATOM 0 HG2 GLU A 48 174.585 4.461 -14.450 1.00 0.00 H new ATOM 0 HG3 GLU A 48 175.811 5.672 -14.131 1.00 0.00 H new ATOM 671 N ALA A 49 175.250 0.836 -12.216 1.00 0.00 N ATOM 672 CA ALA A 49 175.649 -0.438 -11.635 1.00 0.00 C ATOM 673 C ALA A 49 177.067 -0.386 -11.074 1.00 0.00 C ATOM 674 O ALA A 49 177.412 -1.143 -10.167 1.00 0.00 O ATOM 675 CB ALA A 49 175.532 -1.546 -12.671 1.00 0.00 C ATOM 0 H ALA A 49 174.910 0.771 -13.175 1.00 0.00 H new ATOM 0 HA ALA A 49 174.975 -0.649 -10.805 1.00 0.00 H new ATOM 0 HB1 ALA A 49 175.833 -2.494 -12.225 1.00 0.00 H new ATOM 0 HB2 ALA A 49 174.499 -1.617 -13.013 1.00 0.00 H new ATOM 0 HB3 ALA A 49 176.180 -1.322 -13.518 1.00 0.00 H new ATOM 681 N GLY A 50 177.890 0.507 -11.623 1.00 0.00 N ATOM 682 CA GLY A 50 179.263 0.632 -11.165 1.00 0.00 C ATOM 683 C GLY A 50 179.964 -0.710 -11.068 1.00 0.00 C ATOM 684 O GLY A 50 180.134 -1.405 -12.069 1.00 0.00 O ATOM 0 H GLY A 50 177.630 1.145 -12.375 1.00 0.00 H new ATOM 0 HA2 GLY A 50 179.814 1.278 -11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 50 179.275 1.117 -10.189 1.00 0.00 H new ATOM 688 N HIS A 51 180.359 -1.079 -9.855 1.00 0.00 N ATOM 689 CA HIS A 51 181.030 -2.350 -9.624 1.00 0.00 C ATOM 690 C HIS A 51 180.543 -2.982 -8.327 1.00 0.00 C ATOM 691 O HIS A 51 179.779 -3.949 -8.346 1.00 0.00 O ATOM 692 CB HIS A 51 182.549 -2.162 -9.587 1.00 0.00 C ATOM 693 CG HIS A 51 183.209 -2.373 -10.914 1.00 0.00 C ATOM 694 ND1 HIS A 51 183.710 -1.338 -11.678 1.00 0.00 N ATOM 695 CD2 HIS A 51 183.452 -3.505 -11.615 1.00 0.00 C ATOM 696 CE1 HIS A 51 184.231 -1.826 -12.791 1.00 0.00 C ATOM 697 NE2 HIS A 51 184.087 -3.138 -12.776 1.00 0.00 N ATOM 0 H HIS A 51 180.225 -0.514 -9.016 1.00 0.00 H new ATOM 0 HA HIS A 51 180.787 -3.019 -10.450 1.00 0.00 H new ATOM 0 HB2 HIS A 51 182.774 -1.156 -9.234 1.00 0.00 H new ATOM 0 HB3 HIS A 51 182.976 -2.857 -8.863 1.00 0.00 H new ATOM 0 HD2 HIS A 51 183.194 -4.510 -11.317 1.00 0.00 H new ATOM 0 HE1 HIS A 51 184.695 -1.250 -13.578 1.00 0.00 H new ATOM 0 HE2 HIS A 51 184.397 -3.776 -13.509 1.00 0.00 H new ATOM 706 N TRP A 52 180.970 -2.425 -7.201 1.00 0.00 N ATOM 707 CA TRP A 52 180.554 -2.930 -5.900 1.00 0.00 C ATOM 708 C TRP A 52 179.038 -2.835 -5.765 1.00 0.00 C ATOM 709 O TRP A 52 178.515 -1.814 -5.323 1.00 0.00 O ATOM 710 CB TRP A 52 181.226 -2.133 -4.780 1.00 0.00 C ATOM 711 CG TRP A 52 182.702 -2.370 -4.679 1.00 0.00 C ATOM 712 CD1 TRP A 52 183.324 -3.516 -4.277 1.00 0.00 C ATOM 713 CD2 TRP A 52 183.742 -1.433 -4.979 1.00 0.00 C ATOM 714 NE1 TRP A 52 184.689 -3.349 -4.310 1.00 0.00 N ATOM 715 CE2 TRP A 52 184.969 -2.078 -4.739 1.00 0.00 C ATOM 716 CE3 TRP A 52 183.754 -0.111 -5.432 1.00 0.00 C ATOM 717 CZ2 TRP A 52 186.193 -1.445 -4.934 1.00 0.00 C ATOM 718 CZ3 TRP A 52 184.970 0.516 -5.626 1.00 0.00 C ATOM 719 CH2 TRP A 52 186.175 -0.151 -5.377 1.00 0.00 C ATOM 0 H TRP A 52 181.602 -1.626 -7.163 1.00 0.00 H new ATOM 0 HA TRP A 52 180.856 -3.974 -5.818 1.00 0.00 H new ATOM 0 HB2 TRP A 52 181.047 -1.070 -4.944 1.00 0.00 H new ATOM 0 HB3 TRP A 52 180.759 -2.392 -3.830 1.00 0.00 H new ATOM 0 HD1 TRP A 52 182.818 -4.422 -3.977 1.00 0.00 H new ATOM 0 HE1 TRP A 52 185.380 -4.056 -4.057 1.00 0.00 H new ATOM 0 HE3 TRP A 52 182.829 0.411 -5.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 187.124 -1.957 -4.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 184.991 1.538 -5.976 1.00 0.00 H new ATOM 0 HH2 TRP A 52 187.109 0.366 -5.538 1.00 0.00 H new ATOM 730 N ALA A 53 178.343 -3.898 -6.164 1.00 0.00 N ATOM 731 CA ALA A 53 176.884 -3.938 -6.099 1.00 0.00 C ATOM 732 C ALA A 53 176.410 -5.048 -5.171 1.00 0.00 C ATOM 733 O ALA A 53 176.163 -6.170 -5.611 1.00 0.00 O ATOM 734 CB ALA A 53 176.299 -4.124 -7.491 1.00 0.00 C ATOM 0 H ALA A 53 178.769 -4.746 -6.537 1.00 0.00 H new ATOM 0 HA ALA A 53 176.535 -2.988 -5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 53 175.211 -4.152 -7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 53 176.604 -3.294 -8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 53 176.662 -5.060 -7.916 1.00 0.00 H new ATOM 740 N ARG A 54 176.299 -4.738 -3.886 1.00 0.00 N ATOM 741 CA ARG A 54 175.872 -5.722 -2.905 1.00 0.00 C ATOM 742 C ARG A 54 174.774 -5.171 -1.996 1.00 0.00 C ATOM 743 O ARG A 54 174.982 -4.201 -1.266 1.00 0.00 O ATOM 744 CB ARG A 54 177.081 -6.156 -2.084 1.00 0.00 C ATOM 745 CG ARG A 54 176.754 -7.142 -0.973 1.00 0.00 C ATOM 746 CD ARG A 54 177.390 -8.501 -1.229 1.00 0.00 C ATOM 747 NE ARG A 54 177.813 -9.150 0.011 1.00 0.00 N ATOM 748 CZ ARG A 54 176.997 -9.842 0.802 1.00 0.00 C ATOM 749 NH1 ARG A 54 175.712 -9.972 0.494 1.00 0.00 N ATOM 750 NH2 ARG A 54 177.467 -10.406 1.906 1.00 0.00 N ATOM 0 H ARG A 54 176.499 -3.815 -3.501 1.00 0.00 H new ATOM 0 HA ARG A 54 175.452 -6.581 -3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 54 177.817 -6.606 -2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 54 177.546 -5.273 -1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 54 177.106 -6.748 -0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 54 175.673 -7.255 -0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 54 176.678 -9.142 -1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 54 178.251 -8.380 -1.887 1.00 0.00 H new ATOM 0 HE ARG A 54 178.792 -9.067 0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 54 175.345 -9.540 -0.354 1.00 0.00 H new ATOM 0 HH12 ARG A 54 175.092 -10.504 1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 54 178.453 -10.309 2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 54 176.842 -10.937 2.513 1.00 0.00 H new ATOM 764 N ASP A 55 173.604 -5.804 -2.046 1.00 0.00 N ATOM 765 CA ASP A 55 172.462 -5.397 -1.235 1.00 0.00 C ATOM 766 C ASP A 55 172.423 -6.172 0.077 1.00 0.00 C ATOM 767 O ASP A 55 172.081 -7.354 0.100 1.00 0.00 O ATOM 768 CB ASP A 55 171.164 -5.622 -2.010 1.00 0.00 C ATOM 769 CG ASP A 55 171.116 -6.974 -2.696 1.00 0.00 C ATOM 770 OD1 ASP A 55 171.942 -7.846 -2.349 1.00 0.00 O ATOM 771 OD2 ASP A 55 170.255 -7.161 -3.580 1.00 0.00 O ATOM 0 H ASP A 55 173.423 -6.608 -2.646 1.00 0.00 H new ATOM 0 HA ASP A 55 172.566 -4.337 -1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 55 170.319 -5.536 -1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 55 171.051 -4.836 -2.757 1.00 0.00 H new ATOM 776 N ILE A 56 172.768 -5.499 1.171 1.00 0.00 N ATOM 777 CA ILE A 56 172.767 -6.130 2.486 1.00 0.00 C ATOM 778 C ILE A 56 171.381 -6.047 3.121 1.00 0.00 C ATOM 779 O ILE A 56 170.636 -5.097 2.879 1.00 0.00 O ATOM 780 CB ILE A 56 173.792 -5.476 3.434 1.00 0.00 C ATOM 781 CG1 ILE A 56 175.093 -5.161 2.690 1.00 0.00 C ATOM 782 CG2 ILE A 56 174.064 -6.382 4.625 1.00 0.00 C ATOM 783 CD1 ILE A 56 175.827 -6.392 2.201 1.00 0.00 C ATOM 0 H ILE A 56 173.051 -4.519 1.173 1.00 0.00 H new ATOM 0 HA ILE A 56 173.044 -7.174 2.338 1.00 0.00 H new ATOM 0 HB ILE A 56 173.373 -4.538 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 56 174.868 -4.520 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 56 175.751 -4.595 3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 56 174.789 -5.907 5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 56 173.136 -6.555 5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 56 174.462 -7.334 4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 56 176.738 -6.091 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 56 176.084 -7.024 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 56 175.188 -6.948 1.516 1.00 0.00 H new ATOM 795 N THR A 57 171.039 -7.045 3.929 1.00 0.00 N ATOM 796 CA THR A 57 169.739 -7.076 4.589 1.00 0.00 C ATOM 797 C THR A 57 169.855 -7.578 6.025 1.00 0.00 C ATOM 798 O THR A 57 169.001 -8.326 6.502 1.00 0.00 O ATOM 799 CB THR A 57 168.769 -7.962 3.805 1.00 0.00 C ATOM 800 OG1 THR A 57 167.508 -8.018 4.448 1.00 0.00 O ATOM 801 CG2 THR A 57 169.262 -9.383 3.637 1.00 0.00 C ATOM 0 H THR A 57 171.641 -7.840 4.142 1.00 0.00 H new ATOM 0 HA THR A 57 169.356 -6.056 4.616 1.00 0.00 H new ATOM 0 HB THR A 57 168.689 -7.502 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 57 167.621 -8.353 5.362 1.00 0.00 H new ATOM 0 HG21 THR A 57 168.528 -9.958 3.073 1.00 0.00 H new ATOM 0 HG22 THR A 57 170.210 -9.378 3.100 1.00 0.00 H new ATOM 0 HG23 THR A 57 169.403 -9.838 4.618 1.00 0.00 H new ATOM 809 N LYS A 58 170.914 -7.162 6.713 1.00 0.00 N ATOM 810 CA LYS A 58 171.132 -7.571 8.095 1.00 0.00 C ATOM 811 C LYS A 58 172.381 -6.906 8.673 1.00 0.00 C ATOM 812 O LYS A 58 173.500 -7.352 8.422 1.00 0.00 O ATOM 813 CB LYS A 58 171.267 -9.094 8.181 1.00 0.00 C ATOM 814 CG LYS A 58 170.541 -9.702 9.371 1.00 0.00 C ATOM 815 CD LYS A 58 169.084 -9.989 9.049 1.00 0.00 C ATOM 816 CE LYS A 58 168.166 -8.920 9.617 1.00 0.00 C ATOM 817 NZ LYS A 58 166.945 -8.732 8.784 1.00 0.00 N ATOM 0 H LYS A 58 171.632 -6.544 6.337 1.00 0.00 H new ATOM 0 HA LYS A 58 170.270 -7.253 8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 58 170.879 -9.537 7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 58 172.324 -9.354 8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 58 171.038 -10.626 9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 58 170.599 -9.021 10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 58 168.954 -10.045 7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 58 168.806 -10.962 9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 58 167.874 -9.194 10.631 1.00 0.00 H new ATOM 0 HE3 LYS A 58 168.707 -7.976 9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 166.397 -7.927 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 167.222 -8.545 7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 166.363 -9.593 8.822 1.00 0.00 H new ATOM 831 N PRO A 59 172.208 -5.826 9.458 1.00 0.00 N ATOM 832 CA PRO A 59 173.332 -5.109 10.068 1.00 0.00 C ATOM 833 C PRO A 59 174.269 -6.038 10.824 1.00 0.00 C ATOM 834 O PRO A 59 174.089 -7.256 10.828 1.00 0.00 O ATOM 835 CB PRO A 59 172.656 -4.142 11.042 1.00 0.00 C ATOM 836 CG PRO A 59 171.295 -3.927 10.481 1.00 0.00 C ATOM 837 CD PRO A 59 170.909 -5.221 9.815 1.00 0.00 C ATOM 0 HA PRO A 59 173.952 -4.619 9.317 1.00 0.00 H new ATOM 0 HB2 PRO A 59 172.608 -4.562 12.047 1.00 0.00 H new ATOM 0 HB3 PRO A 59 173.207 -3.204 11.114 1.00 0.00 H new ATOM 0 HG2 PRO A 59 170.586 -3.667 11.267 1.00 0.00 H new ATOM 0 HG3 PRO A 59 171.294 -3.105 9.765 1.00 0.00 H new ATOM 0 HD2 PRO A 59 170.338 -5.863 10.486 1.00 0.00 H new ATOM 0 HD3 PRO A 59 170.290 -5.050 8.934 1.00 0.00 H new ATOM 845 N LYS A 60 175.261 -5.448 11.476 1.00 0.00 N ATOM 846 CA LYS A 60 176.228 -6.215 12.256 1.00 0.00 C ATOM 847 C LYS A 60 176.134 -5.832 13.728 1.00 0.00 C ATOM 848 O LYS A 60 175.712 -6.630 14.565 1.00 0.00 O ATOM 849 CB LYS A 60 177.646 -5.971 11.737 1.00 0.00 C ATOM 850 CG LYS A 60 177.852 -6.426 10.301 1.00 0.00 C ATOM 851 CD LYS A 60 178.581 -7.758 10.239 1.00 0.00 C ATOM 852 CE LYS A 60 178.597 -8.319 8.824 1.00 0.00 C ATOM 853 NZ LYS A 60 177.697 -9.498 8.682 1.00 0.00 N ATOM 0 H LYS A 60 175.419 -4.440 11.482 1.00 0.00 H new ATOM 0 HA LYS A 60 175.998 -7.275 12.151 1.00 0.00 H new ATOM 0 HB2 LYS A 60 177.873 -4.907 11.809 1.00 0.00 H new ATOM 0 HB3 LYS A 60 178.355 -6.492 12.380 1.00 0.00 H new ATOM 0 HG2 LYS A 60 176.886 -6.515 9.804 1.00 0.00 H new ATOM 0 HG3 LYS A 60 178.422 -5.672 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 60 179.604 -7.631 10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 60 178.098 -8.470 10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 60 178.291 -7.543 8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 60 179.615 -8.605 8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 177.737 -9.850 7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 178.004 -10.249 9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 176.721 -9.219 8.910 1.00 0.00 H new ATOM 867 N GLU A 61 176.512 -4.598 14.027 1.00 0.00 N ATOM 868 CA GLU A 61 176.456 -4.084 15.389 1.00 0.00 C ATOM 869 C GLU A 61 176.228 -2.586 15.362 1.00 0.00 C ATOM 870 O GLU A 61 177.172 -1.797 15.398 1.00 0.00 O ATOM 871 CB GLU A 61 177.737 -4.421 16.155 1.00 0.00 C ATOM 872 CG GLU A 61 177.591 -5.614 17.087 1.00 0.00 C ATOM 873 CD GLU A 61 178.849 -6.456 17.157 1.00 0.00 C ATOM 874 OE1 GLU A 61 179.932 -5.937 16.814 1.00 0.00 O ATOM 875 OE2 GLU A 61 178.752 -7.636 17.556 1.00 0.00 O ATOM 0 H GLU A 61 176.863 -3.930 13.341 1.00 0.00 H new ATOM 0 HA GLU A 61 175.624 -4.561 15.908 1.00 0.00 H new ATOM 0 HB2 GLU A 61 178.535 -4.624 15.441 1.00 0.00 H new ATOM 0 HB3 GLU A 61 178.043 -3.551 16.736 1.00 0.00 H new ATOM 0 HG2 GLU A 61 177.339 -5.261 18.087 1.00 0.00 H new ATOM 0 HG3 GLU A 61 176.761 -6.235 16.749 1.00 0.00 H new ATOM 882 N GLY A 62 174.962 -2.201 15.253 1.00 0.00 N ATOM 883 CA GLY A 62 174.625 -0.800 15.171 1.00 0.00 C ATOM 884 C GLY A 62 175.026 -0.224 13.826 1.00 0.00 C ATOM 885 O GLY A 62 174.809 0.957 13.557 1.00 0.00 O ATOM 0 H GLY A 62 174.165 -2.837 15.220 1.00 0.00 H new ATOM 0 HA2 GLY A 62 173.553 -0.670 15.322 1.00 0.00 H new ATOM 0 HA3 GLY A 62 175.127 -0.254 15.969 1.00 0.00 H new ATOM 889 N ARG A 63 175.616 -1.071 12.978 1.00 0.00 N ATOM 890 CA ARG A 63 176.050 -0.653 11.650 1.00 0.00 C ATOM 891 C ARG A 63 176.173 -1.852 10.715 1.00 0.00 C ATOM 892 O ARG A 63 176.295 -2.990 11.166 1.00 0.00 O ATOM 893 CB ARG A 63 177.388 0.085 11.731 1.00 0.00 C ATOM 894 CG ARG A 63 178.475 -0.703 12.445 1.00 0.00 C ATOM 895 CD ARG A 63 179.622 0.196 12.876 1.00 0.00 C ATOM 896 NE ARG A 63 179.168 1.295 13.724 1.00 0.00 N ATOM 897 CZ ARG A 63 178.899 1.168 15.021 1.00 0.00 C ATOM 898 NH1 ARG A 63 179.037 -0.007 15.622 1.00 0.00 N ATOM 899 NH2 ARG A 63 178.491 2.218 15.721 1.00 0.00 N ATOM 0 H ARG A 63 175.802 -2.051 13.192 1.00 0.00 H new ATOM 0 HA ARG A 63 175.296 0.024 11.248 1.00 0.00 H new ATOM 0 HB2 ARG A 63 177.725 0.321 10.722 1.00 0.00 H new ATOM 0 HB3 ARG A 63 177.240 1.033 12.247 1.00 0.00 H new ATOM 0 HG2 ARG A 63 178.052 -1.199 13.319 1.00 0.00 H new ATOM 0 HG3 ARG A 63 178.852 -1.485 11.786 1.00 0.00 H new ATOM 0 HD2 ARG A 63 180.363 -0.395 13.414 1.00 0.00 H new ATOM 0 HD3 ARG A 63 180.117 0.600 11.993 1.00 0.00 H new ATOM 0 HE ARG A 63 179.050 2.214 13.297 1.00 0.00 H new ATOM 0 HH11 ARG A 63 179.351 -0.818 15.090 1.00 0.00 H new ATOM 0 HH12 ARG A 63 178.829 -0.099 16.616 1.00 0.00 H new ATOM 0 HH21 ARG A 63 178.383 3.124 15.265 1.00 0.00 H new ATOM 0 HH22 ARG A 63 178.285 2.119 16.715 1.00 0.00 H new ATOM 913 N TRP A 64 176.162 -1.591 9.411 1.00 0.00 N ATOM 914 CA TRP A 64 176.292 -2.644 8.429 1.00 0.00 C ATOM 915 C TRP A 64 177.746 -2.788 8.001 1.00 0.00 C ATOM 916 O TRP A 64 178.533 -1.845 8.108 1.00 0.00 O ATOM 917 CB TRP A 64 175.430 -2.347 7.212 1.00 0.00 C ATOM 918 CG TRP A 64 174.013 -1.989 7.545 1.00 0.00 C ATOM 919 CD1 TRP A 64 173.585 -0.980 8.362 1.00 0.00 C ATOM 920 CD2 TRP A 64 172.831 -2.647 7.069 1.00 0.00 C ATOM 921 NE1 TRP A 64 172.212 -0.973 8.418 1.00 0.00 N ATOM 922 CE2 TRP A 64 171.728 -1.982 7.635 1.00 0.00 C ATOM 923 CE3 TRP A 64 172.596 -3.730 6.217 1.00 0.00 C ATOM 924 CZ2 TRP A 64 170.414 -2.365 7.378 1.00 0.00 C ATOM 925 CZ3 TRP A 64 171.291 -4.110 5.963 1.00 0.00 C ATOM 926 CH2 TRP A 64 170.214 -3.427 6.543 1.00 0.00 C ATOM 0 H TRP A 64 176.064 -0.655 9.017 1.00 0.00 H new ATOM 0 HA TRP A 64 175.956 -3.577 8.882 1.00 0.00 H new ATOM 0 HB2 TRP A 64 175.880 -1.527 6.652 1.00 0.00 H new ATOM 0 HB3 TRP A 64 175.430 -3.218 6.557 1.00 0.00 H new ATOM 0 HD1 TRP A 64 174.230 -0.290 8.886 1.00 0.00 H new ATOM 0 HE1 TRP A 64 171.645 -0.319 8.958 1.00 0.00 H new ATOM 0 HE3 TRP A 64 173.420 -4.261 5.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 169.582 -1.840 7.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 171.099 -4.946 5.307 1.00 0.00 H new ATOM 0 HH2 TRP A 64 169.206 -3.747 6.325 1.00 0.00 H new ATOM 937 N THR A 65 178.090 -3.969 7.515 1.00 0.00 N ATOM 938 CA THR A 65 179.449 -4.246 7.068 1.00 0.00 C ATOM 939 C THR A 65 179.453 -4.971 5.725 1.00 0.00 C ATOM 940 O THR A 65 178.972 -6.099 5.618 1.00 0.00 O ATOM 941 CB THR A 65 180.192 -5.081 8.113 1.00 0.00 C ATOM 942 OG1 THR A 65 180.216 -4.414 9.362 1.00 0.00 O ATOM 943 CG2 THR A 65 181.623 -5.386 7.730 1.00 0.00 C ATOM 0 H THR A 65 177.447 -4.755 7.419 1.00 0.00 H new ATOM 0 HA THR A 65 179.960 -3.291 6.942 1.00 0.00 H new ATOM 0 HB THR A 65 179.642 -6.020 8.175 1.00 0.00 H new ATOM 0 HG1 THR A 65 180.694 -4.964 10.017 1.00 0.00 H new ATOM 0 HG21 THR A 65 182.091 -5.981 8.515 1.00 0.00 H new ATOM 0 HG22 THR A 65 181.638 -5.944 6.794 1.00 0.00 H new ATOM 0 HG23 THR A 65 182.173 -4.453 7.605 1.00 0.00 H new ATOM 951 N PHE A 66 180.005 -4.321 4.709 1.00 0.00 N ATOM 952 CA PHE A 66 180.082 -4.909 3.378 1.00 0.00 C ATOM 953 C PHE A 66 181.529 -5.235 3.024 1.00 0.00 C ATOM 954 O PHE A 66 182.356 -4.337 2.858 1.00 0.00 O ATOM 955 CB PHE A 66 179.481 -3.958 2.340 1.00 0.00 C ATOM 956 CG PHE A 66 179.719 -4.388 0.920 1.00 0.00 C ATOM 957 CD1 PHE A 66 179.533 -5.708 0.540 1.00 0.00 C ATOM 958 CD2 PHE A 66 180.133 -3.473 -0.035 1.00 0.00 C ATOM 959 CE1 PHE A 66 179.756 -6.107 -0.764 1.00 0.00 C ATOM 960 CE2 PHE A 66 180.357 -3.866 -1.339 1.00 0.00 C ATOM 961 CZ PHE A 66 180.169 -5.183 -1.705 1.00 0.00 C ATOM 0 H PHE A 66 180.406 -3.386 4.781 1.00 0.00 H new ATOM 0 HA PHE A 66 179.507 -5.835 3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 66 178.408 -3.878 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 66 179.902 -2.963 2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 66 179.210 -6.433 1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 66 180.282 -2.440 0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 66 179.608 -7.139 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 66 180.680 -3.142 -2.073 1.00 0.00 H new ATOM 0 HZ PHE A 66 180.344 -5.491 -2.725 1.00 0.00 H new ATOM 971 N ARG A 67 181.831 -6.524 2.915 1.00 0.00 N ATOM 972 CA ARG A 67 183.180 -6.967 2.588 1.00 0.00 C ATOM 973 C ARG A 67 183.199 -7.759 1.285 1.00 0.00 C ATOM 974 O ARG A 67 182.265 -8.503 0.982 1.00 0.00 O ATOM 975 CB ARG A 67 183.747 -7.824 3.723 1.00 0.00 C ATOM 976 CG ARG A 67 183.958 -7.055 5.017 1.00 0.00 C ATOM 977 CD ARG A 67 184.619 -7.920 6.079 1.00 0.00 C ATOM 978 NE ARG A 67 183.748 -8.127 7.234 1.00 0.00 N ATOM 979 CZ ARG A 67 184.188 -8.482 8.440 1.00 0.00 C ATOM 980 NH1 ARG A 67 185.484 -8.672 8.652 1.00 0.00 N ATOM 981 NH2 ARG A 67 183.329 -8.647 9.437 1.00 0.00 N ATOM 0 H ARG A 67 181.159 -7.280 3.048 1.00 0.00 H new ATOM 0 HA ARG A 67 183.801 -6.080 2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 67 183.070 -8.657 3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 67 184.698 -8.251 3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 67 184.576 -6.179 4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 67 182.999 -6.693 5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 67 184.885 -8.885 5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 67 185.547 -7.450 6.404 1.00 0.00 H new ATOM 0 HE ARG A 67 182.745 -7.992 7.109 1.00 0.00 H new ATOM 0 HH11 ARG A 67 186.149 -8.546 7.889 1.00 0.00 H new ATOM 0 HH12 ARG A 67 185.815 -8.944 9.578 1.00 0.00 H new ATOM 0 HH21 ARG A 67 182.332 -8.502 9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 67 183.666 -8.919 10.361 1.00 0.00 H new ATOM 995 N ASP A 68 184.275 -7.598 0.523 1.00 0.00 N ATOM 996 CA ASP A 68 184.431 -8.298 -0.746 1.00 0.00 C ATOM 997 C ASP A 68 185.859 -8.808 -0.899 1.00 0.00 C ATOM 998 O ASP A 68 186.783 -8.025 -1.110 1.00 0.00 O ATOM 999 CB ASP A 68 184.075 -7.374 -1.912 1.00 0.00 C ATOM 1000 CG ASP A 68 183.324 -8.097 -3.012 1.00 0.00 C ATOM 1001 OD1 ASP A 68 183.650 -9.272 -3.281 1.00 0.00 O ATOM 1002 OD2 ASP A 68 182.408 -7.487 -3.606 1.00 0.00 O ATOM 0 H ASP A 68 185.055 -6.986 0.764 1.00 0.00 H new ATOM 0 HA ASP A 68 183.752 -9.150 -0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 68 183.468 -6.547 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 68 184.988 -6.942 -2.322 1.00 0.00 H new ATOM 1007 N ARG A 69 186.029 -10.121 -0.783 1.00 0.00 N ATOM 1008 CA ARG A 69 187.347 -10.741 -0.899 1.00 0.00 C ATOM 1009 C ARG A 69 187.667 -11.110 -2.348 1.00 0.00 C ATOM 1010 O ARG A 69 188.497 -11.982 -2.605 1.00 0.00 O ATOM 1011 CB ARG A 69 187.423 -11.990 -0.019 1.00 0.00 C ATOM 1012 CG ARG A 69 186.962 -11.755 1.410 1.00 0.00 C ATOM 1013 CD ARG A 69 186.790 -13.064 2.164 1.00 0.00 C ATOM 1014 NE ARG A 69 185.676 -13.852 1.644 1.00 0.00 N ATOM 1015 CZ ARG A 69 185.090 -14.841 2.317 1.00 0.00 C ATOM 1016 NH1 ARG A 69 185.510 -15.163 3.535 1.00 0.00 N ATOM 1017 NH2 ARG A 69 184.082 -15.507 1.772 1.00 0.00 N ATOM 0 H ARG A 69 185.269 -10.779 -0.608 1.00 0.00 H new ATOM 0 HA ARG A 69 188.086 -10.013 -0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 69 186.813 -12.776 -0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 69 188.451 -12.353 -0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 69 187.687 -11.128 1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 69 186.017 -11.211 1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 69 187.709 -13.646 2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 69 186.624 -12.855 3.221 1.00 0.00 H new ATOM 0 HE ARG A 69 185.326 -13.632 0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 69 186.284 -14.652 3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 69 185.058 -15.921 4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 69 183.755 -15.262 0.837 1.00 0.00 H new ATOM 0 HH22 ARG A 69 183.633 -16.264 2.287 1.00 0.00 H new ATOM 1031 N ASN A 70 187.006 -10.446 -3.291 1.00 0.00 N ATOM 1032 CA ASN A 70 187.227 -10.714 -4.708 1.00 0.00 C ATOM 1033 C ASN A 70 187.318 -9.414 -5.499 1.00 0.00 C ATOM 1034 O ASN A 70 186.914 -9.352 -6.659 1.00 0.00 O ATOM 1035 CB ASN A 70 186.100 -11.585 -5.264 1.00 0.00 C ATOM 1036 CG ASN A 70 185.886 -12.846 -4.449 1.00 0.00 C ATOM 1037 OD1 ASN A 70 184.801 -13.079 -3.919 1.00 0.00 O ATOM 1038 ND2 ASN A 70 186.926 -13.666 -4.345 1.00 0.00 N ATOM 0 H ASN A 70 186.315 -9.720 -3.101 1.00 0.00 H new ATOM 0 HA ASN A 70 188.173 -11.247 -4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 70 185.175 -11.008 -5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 70 186.329 -11.857 -6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 70 186.843 -14.529 -3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 70 187.808 -13.432 -4.802 1.00 0.00 H new ATOM 1045 N ALA A 71 187.857 -8.380 -4.864 1.00 0.00 N ATOM 1046 CA ALA A 71 188.003 -7.080 -5.508 1.00 0.00 C ATOM 1047 C ALA A 71 189.434 -6.865 -5.986 1.00 0.00 C ATOM 1048 O ALA A 71 190.333 -6.607 -5.185 1.00 0.00 O ATOM 1049 CB ALA A 71 187.589 -5.968 -4.557 1.00 0.00 C ATOM 0 H ALA A 71 188.200 -8.416 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 71 187.348 -7.058 -6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 71 187.704 -5.004 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 71 186.547 -6.106 -4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 71 188.219 -5.996 -3.668 1.00 0.00 H new ATOM 1055 N LYS A 72 189.640 -6.971 -7.294 1.00 0.00 N ATOM 1056 CA LYS A 72 190.964 -6.785 -7.875 1.00 0.00 C ATOM 1057 C LYS A 72 191.347 -5.310 -7.875 1.00 0.00 C ATOM 1058 O LYS A 72 191.308 -4.647 -8.912 1.00 0.00 O ATOM 1059 CB LYS A 72 191.003 -7.336 -9.300 1.00 0.00 C ATOM 1060 CG LYS A 72 192.362 -7.207 -9.966 1.00 0.00 C ATOM 1061 CD LYS A 72 192.243 -7.189 -11.481 1.00 0.00 C ATOM 1062 CE LYS A 72 191.434 -5.996 -11.963 1.00 0.00 C ATOM 1063 NZ LYS A 72 191.779 -5.622 -13.363 1.00 0.00 N ATOM 0 H LYS A 72 188.908 -7.185 -7.971 1.00 0.00 H new ATOM 0 HA LYS A 72 191.684 -7.332 -7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 72 190.715 -8.387 -9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 72 190.261 -6.813 -9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 72 192.848 -6.292 -9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 72 192.998 -8.038 -9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 72 193.238 -7.158 -11.925 1.00 0.00 H new ATOM 0 HD3 LYS A 72 191.771 -8.111 -11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 72 190.371 -6.229 -11.901 1.00 0.00 H new ATOM 0 HE3 LYS A 72 191.613 -5.146 -11.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 191.206 -4.804 -13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 192.788 -5.375 -13.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 191.584 -6.425 -13.995 1.00 0.00 H new ATOM 1077 N LEU A 73 191.716 -4.802 -6.704 1.00 0.00 N ATOM 1078 CA LEU A 73 192.107 -3.404 -6.564 1.00 0.00 C ATOM 1079 C LEU A 73 193.591 -3.219 -6.851 1.00 0.00 C ATOM 1080 O LEU A 73 194.378 -4.158 -6.737 1.00 0.00 O ATOM 1081 CB LEU A 73 191.785 -2.904 -5.154 1.00 0.00 C ATOM 1082 CG LEU A 73 190.314 -3.012 -4.748 1.00 0.00 C ATOM 1083 CD1 LEU A 73 190.149 -2.717 -3.265 1.00 0.00 C ATOM 1084 CD2 LEU A 73 189.461 -2.067 -5.582 1.00 0.00 C ATOM 0 H LEU A 73 191.753 -5.338 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 73 191.541 -2.822 -7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 73 192.385 -3.467 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 73 192.092 -1.861 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 73 189.977 -4.032 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 73 189.097 -2.798 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 73 190.730 -3.434 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 73 190.502 -1.708 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 73 188.417 -2.157 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 73 189.797 -1.042 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 73 189.557 -2.325 -6.637 1.00 0.00 H new ATOM 1096 N LYS A 74 193.966 -2.000 -7.222 1.00 0.00 N ATOM 1097 CA LYS A 74 195.358 -1.688 -7.522 1.00 0.00 C ATOM 1098 C LYS A 74 195.745 -0.332 -6.943 1.00 0.00 C ATOM 1099 O LYS A 74 195.003 0.642 -7.063 1.00 0.00 O ATOM 1100 CB LYS A 74 195.596 -1.698 -9.034 1.00 0.00 C ATOM 1101 CG LYS A 74 196.020 -3.056 -9.573 1.00 0.00 C ATOM 1102 CD LYS A 74 197.525 -3.126 -9.796 1.00 0.00 C ATOM 1103 CE LYS A 74 198.159 -4.246 -8.987 1.00 0.00 C ATOM 1104 NZ LYS A 74 198.118 -3.967 -7.525 1.00 0.00 N ATOM 0 H LYS A 74 193.326 -1.212 -7.322 1.00 0.00 H new ATOM 0 HA LYS A 74 195.982 -2.454 -7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 74 194.683 -1.384 -9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 74 196.364 -0.963 -9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 74 195.719 -3.836 -8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 74 195.503 -3.253 -10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 74 197.730 -3.281 -10.855 1.00 0.00 H new ATOM 0 HD3 LYS A 74 197.979 -2.174 -9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 74 197.639 -5.182 -9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 74 199.194 -4.380 -9.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 198.864 -4.511 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 198.271 -2.951 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 197.190 -4.243 -7.145 1.00 0.00 H new ATOM 1118 N LEU A 75 196.910 -0.281 -6.311 1.00 0.00 N ATOM 1119 CA LEU A 75 197.401 0.949 -5.704 1.00 0.00 C ATOM 1120 C LEU A 75 197.486 2.073 -6.726 1.00 0.00 C ATOM 1121 O LEU A 75 198.018 1.897 -7.821 1.00 0.00 O ATOM 1122 CB LEU A 75 198.775 0.711 -5.073 1.00 0.00 C ATOM 1123 CG LEU A 75 199.047 1.489 -3.785 1.00 0.00 C ATOM 1124 CD1 LEU A 75 199.975 0.701 -2.873 1.00 0.00 C ATOM 1125 CD2 LEU A 75 199.641 2.853 -4.102 1.00 0.00 C ATOM 0 H LEU A 75 197.535 -1.080 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 75 196.695 1.248 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 75 198.881 -0.354 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 75 199.542 0.970 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 75 198.100 1.639 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 75 200.158 1.269 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 75 199.512 -0.253 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 75 200.921 0.521 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 75 199.828 3.393 -3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 75 200.579 2.725 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 75 198.942 3.420 -4.717 1.00 0.00 H new ATOM 1137 N GLY A 76 196.949 3.232 -6.357 1.00 0.00 N ATOM 1138 CA GLY A 76 196.965 4.374 -7.245 1.00 0.00 C ATOM 1139 C GLY A 76 195.590 4.692 -7.785 1.00 0.00 C ATOM 1140 O GLY A 76 195.277 5.846 -8.075 1.00 0.00 O ATOM 0 H GLY A 76 196.502 3.398 -5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 76 197.355 5.242 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 76 197.644 4.178 -8.075 1.00 0.00 H new ATOM 1144 N ASP A 77 194.766 3.660 -7.920 1.00 0.00 N ATOM 1145 CA ASP A 77 193.421 3.820 -8.427 1.00 0.00 C ATOM 1146 C ASP A 77 192.547 4.571 -7.425 1.00 0.00 C ATOM 1147 O ASP A 77 192.889 4.679 -6.245 1.00 0.00 O ATOM 1148 CB ASP A 77 192.814 2.455 -8.749 1.00 0.00 C ATOM 1149 CG ASP A 77 191.640 2.550 -9.703 1.00 0.00 C ATOM 1150 OD1 ASP A 77 190.581 3.071 -9.291 1.00 0.00 O ATOM 1151 OD2 ASP A 77 191.778 2.103 -10.859 1.00 0.00 O ATOM 0 H ASP A 77 195.014 2.700 -7.682 1.00 0.00 H new ATOM 0 HA ASP A 77 193.467 4.409 -9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 77 193.581 1.814 -9.185 1.00 0.00 H new ATOM 0 HB3 ASP A 77 192.488 1.979 -7.824 1.00 0.00 H new ATOM 1156 N LYS A 78 191.423 5.092 -7.904 1.00 0.00 N ATOM 1157 CA LYS A 78 190.501 5.838 -7.057 1.00 0.00 C ATOM 1158 C LYS A 78 189.173 5.100 -6.912 1.00 0.00 C ATOM 1159 O LYS A 78 188.938 4.086 -7.568 1.00 0.00 O ATOM 1160 CB LYS A 78 190.262 7.233 -7.639 1.00 0.00 C ATOM 1161 CG LYS A 78 189.858 8.268 -6.602 1.00 0.00 C ATOM 1162 CD LYS A 78 190.300 9.666 -7.004 1.00 0.00 C ATOM 1163 CE LYS A 78 190.914 10.416 -5.833 1.00 0.00 C ATOM 1164 NZ LYS A 78 192.402 10.413 -5.889 1.00 0.00 N ATOM 0 H LYS A 78 191.128 5.011 -8.877 1.00 0.00 H new ATOM 0 HA LYS A 78 190.950 5.934 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 78 191.170 7.569 -8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 78 189.484 7.171 -8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 78 188.776 8.251 -6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 78 190.298 8.010 -5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 78 191.025 9.600 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 78 189.444 10.223 -7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 78 190.553 11.445 -5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 78 190.585 9.961 -4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 192.781 10.935 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 192.748 9.433 -5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 192.717 10.870 -6.769 1.00 0.00 H new ATOM 1178 N ILE A 79 188.317 5.615 -6.037 1.00 0.00 N ATOM 1179 CA ILE A 79 187.012 5.010 -5.783 1.00 0.00 C ATOM 1180 C ILE A 79 185.879 6.029 -5.913 1.00 0.00 C ATOM 1181 O ILE A 79 186.014 7.181 -5.502 1.00 0.00 O ATOM 1182 CB ILE A 79 186.959 4.325 -4.406 1.00 0.00 C ATOM 1183 CG1 ILE A 79 187.896 3.116 -4.392 1.00 0.00 C ATOM 1184 CG2 ILE A 79 185.536 3.901 -4.065 1.00 0.00 C ATOM 1185 CD1 ILE A 79 189.137 3.319 -3.554 1.00 0.00 C ATOM 0 H ILE A 79 188.503 6.454 -5.488 1.00 0.00 H new ATOM 0 HA ILE A 79 186.870 4.246 -6.548 1.00 0.00 H new ATOM 0 HB ILE A 79 187.287 5.038 -3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 79 187.352 2.250 -4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 79 188.193 2.886 -5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 79 185.524 3.419 -3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 79 184.890 4.779 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 79 185.174 3.201 -4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 79 189.753 2.420 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 79 189.704 4.164 -3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 79 188.850 3.519 -2.522 1.00 0.00 H new ATOM 1197 N TYR A 80 184.755 5.582 -6.460 1.00 0.00 N ATOM 1198 CA TYR A 80 183.576 6.430 -6.620 1.00 0.00 C ATOM 1199 C TYR A 80 182.321 5.594 -6.407 1.00 0.00 C ATOM 1200 O TYR A 80 182.183 4.529 -7.011 1.00 0.00 O ATOM 1201 CB TYR A 80 183.563 7.073 -8.007 1.00 0.00 C ATOM 1202 CG TYR A 80 184.656 8.099 -8.206 1.00 0.00 C ATOM 1203 CD1 TYR A 80 184.738 9.221 -7.388 1.00 0.00 C ATOM 1204 CD2 TYR A 80 185.606 7.947 -9.206 1.00 0.00 C ATOM 1205 CE1 TYR A 80 185.735 10.161 -7.565 1.00 0.00 C ATOM 1206 CE2 TYR A 80 186.607 8.881 -9.390 1.00 0.00 C ATOM 1207 CZ TYR A 80 186.667 9.986 -8.566 1.00 0.00 C ATOM 1208 OH TYR A 80 187.661 10.921 -8.744 1.00 0.00 O ATOM 0 H TYR A 80 184.633 4.629 -6.803 1.00 0.00 H new ATOM 0 HA TYR A 80 183.605 7.229 -5.879 1.00 0.00 H new ATOM 0 HB2 TYR A 80 183.666 6.293 -8.761 1.00 0.00 H new ATOM 0 HB3 TYR A 80 182.596 7.548 -8.170 1.00 0.00 H new ATOM 0 HD1 TYR A 80 184.011 9.360 -6.602 1.00 0.00 H new ATOM 0 HD2 TYR A 80 185.562 7.083 -9.852 1.00 0.00 H new ATOM 0 HE1 TYR A 80 185.784 11.028 -6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 80 187.338 8.747 -10.174 1.00 0.00 H new ATOM 0 HH TYR A 80 188.236 10.649 -9.490 1.00 0.00 H new ATOM 1218 N PHE A 81 181.415 6.040 -5.535 1.00 0.00 N ATOM 1219 CA PHE A 81 180.213 5.253 -5.274 1.00 0.00 C ATOM 1220 C PHE A 81 179.083 6.045 -4.641 1.00 0.00 C ATOM 1221 O PHE A 81 179.184 7.245 -4.383 1.00 0.00 O ATOM 1222 CB PHE A 81 180.552 4.095 -4.337 1.00 0.00 C ATOM 1223 CG PHE A 81 181.375 4.509 -3.152 1.00 0.00 C ATOM 1224 CD1 PHE A 81 180.835 5.338 -2.181 1.00 0.00 C ATOM 1225 CD2 PHE A 81 182.683 4.075 -3.007 1.00 0.00 C ATOM 1226 CE1 PHE A 81 181.583 5.726 -1.088 1.00 0.00 C ATOM 1227 CE2 PHE A 81 183.436 4.462 -1.914 1.00 0.00 C ATOM 1228 CZ PHE A 81 182.885 5.288 -0.955 1.00 0.00 C ATOM 0 H PHE A 81 181.487 6.914 -5.013 1.00 0.00 H new ATOM 0 HA PHE A 81 179.869 4.907 -6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 81 179.627 3.639 -3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 81 181.092 3.331 -4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 81 179.817 5.684 -2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 81 183.118 3.428 -3.755 1.00 0.00 H new ATOM 0 HE1 PHE A 81 181.150 6.371 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 81 184.455 4.118 -1.811 1.00 0.00 H new ATOM 0 HZ PHE A 81 183.472 5.591 -0.101 1.00 0.00 H new ATOM 1238 N TRP A 82 178.015 5.306 -4.362 1.00 0.00 N ATOM 1239 CA TRP A 82 176.823 5.829 -3.711 1.00 0.00 C ATOM 1240 C TRP A 82 176.200 4.708 -2.891 1.00 0.00 C ATOM 1241 O TRP A 82 176.038 3.592 -3.386 1.00 0.00 O ATOM 1242 CB TRP A 82 175.821 6.382 -4.735 1.00 0.00 C ATOM 1243 CG TRP A 82 175.228 5.347 -5.644 1.00 0.00 C ATOM 1244 CD1 TRP A 82 175.769 4.867 -6.800 1.00 0.00 C ATOM 1245 CD2 TRP A 82 173.971 4.678 -5.483 1.00 0.00 C ATOM 1246 NE1 TRP A 82 174.929 3.941 -7.367 1.00 0.00 N ATOM 1247 CE2 TRP A 82 173.820 3.804 -6.577 1.00 0.00 C ATOM 1248 CE3 TRP A 82 172.961 4.729 -4.520 1.00 0.00 C ATOM 1249 CZ2 TRP A 82 172.700 2.992 -6.734 1.00 0.00 C ATOM 1250 CZ3 TRP A 82 171.848 3.922 -4.677 1.00 0.00 C ATOM 1251 CH2 TRP A 82 171.725 3.063 -5.776 1.00 0.00 C ATOM 0 H TRP A 82 177.954 4.313 -4.586 1.00 0.00 H new ATOM 0 HA TRP A 82 177.097 6.660 -3.061 1.00 0.00 H new ATOM 0 HB2 TRP A 82 175.014 6.884 -4.201 1.00 0.00 H new ATOM 0 HB3 TRP A 82 176.320 7.138 -5.342 1.00 0.00 H new ATOM 0 HD1 TRP A 82 176.721 5.171 -7.210 1.00 0.00 H new ATOM 0 HE1 TRP A 82 175.103 3.437 -8.236 1.00 0.00 H new ATOM 0 HE3 TRP A 82 173.047 5.387 -3.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 172.604 2.330 -7.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 171.060 3.955 -3.939 1.00 0.00 H new ATOM 0 HH2 TRP A 82 170.844 2.445 -5.869 1.00 0.00 H new ATOM 1262 N THR A 83 175.875 4.984 -1.635 1.00 0.00 N ATOM 1263 CA THR A 83 175.299 3.955 -0.774 1.00 0.00 C ATOM 1264 C THR A 83 173.798 4.115 -0.675 1.00 0.00 C ATOM 1265 O THR A 83 173.281 5.199 -0.884 1.00 0.00 O ATOM 1266 CB THR A 83 175.928 4.003 0.619 1.00 0.00 C ATOM 1267 OG1 THR A 83 176.317 5.322 0.949 1.00 0.00 O ATOM 1268 CG2 THR A 83 177.147 3.118 0.754 1.00 0.00 C ATOM 0 H THR A 83 175.997 5.895 -1.193 1.00 0.00 H new ATOM 0 HA THR A 83 175.514 2.984 -1.220 1.00 0.00 H new ATOM 0 HB THR A 83 175.156 3.639 1.297 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.335 5.424 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 83 177.545 3.198 1.766 1.00 0.00 H new ATOM 0 HG22 THR A 83 176.869 2.083 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 83 177.907 3.434 0.039 1.00 0.00 H new ATOM 1276 N TYR A 84 173.098 3.030 -0.373 1.00 0.00 N ATOM 1277 CA TYR A 84 171.650 3.067 -0.268 1.00 0.00 C ATOM 1278 C TYR A 84 171.172 2.326 0.975 1.00 0.00 C ATOM 1279 O TYR A 84 171.789 1.353 1.403 1.00 0.00 O ATOM 1280 CB TYR A 84 171.037 2.440 -1.517 1.00 0.00 C ATOM 1281 CG TYR A 84 169.542 2.634 -1.637 1.00 0.00 C ATOM 1282 CD1 TYR A 84 168.945 3.833 -1.267 1.00 0.00 C ATOM 1283 CD2 TYR A 84 168.729 1.620 -2.129 1.00 0.00 C ATOM 1284 CE1 TYR A 84 167.578 4.014 -1.382 1.00 0.00 C ATOM 1285 CE2 TYR A 84 167.363 1.793 -2.247 1.00 0.00 C ATOM 1286 CZ TYR A 84 166.794 2.992 -1.872 1.00 0.00 C ATOM 1287 OH TYR A 84 165.434 3.170 -1.988 1.00 0.00 O ATOM 0 H TYR A 84 173.512 2.114 -0.197 1.00 0.00 H new ATOM 0 HA TYR A 84 171.333 4.106 -0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 84 171.519 2.865 -2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 84 171.255 1.372 -1.518 1.00 0.00 H new ATOM 0 HD1 TYR A 84 169.557 4.636 -0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 84 169.172 0.681 -2.424 1.00 0.00 H new ATOM 0 HE1 TYR A 84 167.128 4.951 -1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 84 166.745 0.994 -2.630 1.00 0.00 H new ATOM 0 HH TYR A 84 165.027 2.355 -2.350 1.00 0.00 H new ATOM 1297 N VAL A 85 170.067 2.793 1.543 1.00 0.00 N ATOM 1298 CA VAL A 85 169.495 2.172 2.732 1.00 0.00 C ATOM 1299 C VAL A 85 167.974 2.093 2.599 1.00 0.00 C ATOM 1300 O VAL A 85 167.393 2.757 1.744 1.00 0.00 O ATOM 1301 CB VAL A 85 169.883 2.940 4.034 1.00 0.00 C ATOM 1302 CG1 VAL A 85 170.678 4.195 3.712 1.00 0.00 C ATOM 1303 CG2 VAL A 85 168.664 3.302 4.877 1.00 0.00 C ATOM 0 H VAL A 85 169.548 3.601 1.199 1.00 0.00 H new ATOM 0 HA VAL A 85 169.906 1.166 2.811 1.00 0.00 H new ATOM 0 HB VAL A 85 170.505 2.263 4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 85 170.935 4.710 4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 85 171.591 3.922 3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 85 170.079 4.854 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 85 168.986 3.835 5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 85 167.996 3.938 4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 85 168.138 2.392 5.166 1.00 0.00 H new ATOM 1313 N ILE A 86 167.339 1.291 3.452 1.00 0.00 N ATOM 1314 CA ILE A 86 165.884 1.146 3.432 1.00 0.00 C ATOM 1315 C ILE A 86 165.328 1.045 4.839 1.00 0.00 C ATOM 1316 O ILE A 86 165.488 0.022 5.497 1.00 0.00 O ATOM 1317 CB ILE A 86 165.433 -0.100 2.656 1.00 0.00 C ATOM 1318 CG1 ILE A 86 166.141 -0.176 1.313 1.00 0.00 C ATOM 1319 CG2 ILE A 86 163.921 -0.092 2.468 1.00 0.00 C ATOM 1320 CD1 ILE A 86 165.732 0.903 0.347 1.00 0.00 C ATOM 0 H ILE A 86 167.808 0.732 4.165 1.00 0.00 H new ATOM 0 HA ILE A 86 165.501 2.036 2.933 1.00 0.00 H new ATOM 0 HB ILE A 86 165.702 -0.984 3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 86 167.217 -0.115 1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 86 165.942 -1.148 0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 86 163.618 -0.982 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 86 163.433 -0.086 3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 86 163.628 0.798 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 86 166.280 0.782 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 86 164.662 0.830 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 86 165.957 1.880 0.776 1.00 0.00 H new ATOM 1332 N LYS A 87 164.666 2.104 5.284 1.00 0.00 N ATOM 1333 CA LYS A 87 164.069 2.136 6.614 1.00 0.00 C ATOM 1334 C LYS A 87 162.558 1.941 6.528 1.00 0.00 C ATOM 1335 O LYS A 87 161.784 2.825 6.897 1.00 0.00 O ATOM 1336 CB LYS A 87 164.389 3.460 7.309 1.00 0.00 C ATOM 1337 CG LYS A 87 164.269 3.397 8.825 1.00 0.00 C ATOM 1338 CD LYS A 87 163.028 4.124 9.319 1.00 0.00 C ATOM 1339 CE LYS A 87 162.285 3.314 10.371 1.00 0.00 C ATOM 1340 NZ LYS A 87 160.823 3.255 10.094 1.00 0.00 N ATOM 0 H LYS A 87 164.528 2.957 4.741 1.00 0.00 H new ATOM 0 HA LYS A 87 164.492 1.320 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 87 165.402 3.763 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 87 163.717 4.231 6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 87 164.233 2.356 9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 87 165.156 3.839 9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 87 163.314 5.089 9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 87 162.364 4.325 8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 87 162.690 2.302 10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 87 162.451 3.755 11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 160.352 2.695 10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 160.432 4.219 10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 160.663 2.811 9.167 1.00 0.00 H new ATOM 1354 N ASP A 88 162.143 0.777 6.031 1.00 0.00 N ATOM 1355 CA ASP A 88 160.725 0.461 5.889 1.00 0.00 C ATOM 1356 C ASP A 88 160.083 1.317 4.799 1.00 0.00 C ATOM 1357 O ASP A 88 159.221 2.151 5.076 1.00 0.00 O ATOM 1358 CB ASP A 88 159.992 0.668 7.218 1.00 0.00 C ATOM 1359 CG ASP A 88 158.603 0.058 7.213 1.00 0.00 C ATOM 1360 OD1 ASP A 88 158.489 -1.157 7.479 1.00 0.00 O ATOM 1361 OD2 ASP A 88 157.632 0.794 6.944 1.00 0.00 O ATOM 0 H ASP A 88 162.771 0.036 5.720 1.00 0.00 H new ATOM 0 HA ASP A 88 160.642 -0.587 5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 88 160.577 0.227 8.025 1.00 0.00 H new ATOM 0 HB3 ASP A 88 159.916 1.735 7.426 1.00 0.00 H new ATOM 1366 N GLY A 89 160.511 1.105 3.559 1.00 0.00 N ATOM 1367 CA GLY A 89 159.970 1.864 2.446 1.00 0.00 C ATOM 1368 C GLY A 89 160.409 3.316 2.465 1.00 0.00 C ATOM 1369 O GLY A 89 159.701 4.191 1.971 1.00 0.00 O ATOM 0 H GLY A 89 161.223 0.421 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 89 160.286 1.405 1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 89 158.881 1.817 2.473 1.00 0.00 H new ATOM 1373 N LEU A 90 161.581 3.568 3.040 1.00 0.00 N ATOM 1374 CA LEU A 90 162.119 4.923 3.127 1.00 0.00 C ATOM 1375 C LEU A 90 163.627 4.899 2.961 1.00 0.00 C ATOM 1376 O LEU A 90 164.378 5.041 3.926 1.00 0.00 O ATOM 1377 CB LEU A 90 161.746 5.553 4.466 1.00 0.00 C ATOM 1378 CG LEU A 90 160.337 5.218 4.939 1.00 0.00 C ATOM 1379 CD1 LEU A 90 160.147 5.619 6.395 1.00 0.00 C ATOM 1380 CD2 LEU A 90 159.311 5.904 4.050 1.00 0.00 C ATOM 0 H LEU A 90 162.178 2.851 3.453 1.00 0.00 H new ATOM 0 HA LEU A 90 161.688 5.523 2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 90 162.459 5.224 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 90 161.843 6.636 4.386 1.00 0.00 H new ATOM 0 HG LEU A 90 160.192 4.140 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 90 159.134 5.371 6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 90 160.863 5.082 7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 90 160.307 6.692 6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 90 158.307 5.658 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 90 159.456 6.983 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 90 159.434 5.563 3.022 1.00 0.00 H new ATOM 1392 N GLY A 91 164.058 4.689 1.730 1.00 0.00 N ATOM 1393 CA GLY A 91 165.467 4.610 1.444 1.00 0.00 C ATOM 1394 C GLY A 91 166.160 5.954 1.333 1.00 0.00 C ATOM 1395 O GLY A 91 165.522 6.989 1.136 1.00 0.00 O ATOM 0 H GLY A 91 163.450 4.571 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 91 165.952 4.028 2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 91 165.606 4.065 0.510 1.00 0.00 H new ATOM 1399 N TYR A 92 167.481 5.912 1.452 1.00 0.00 N ATOM 1400 CA TYR A 92 168.327 7.100 1.360 1.00 0.00 C ATOM 1401 C TYR A 92 169.705 6.694 0.854 1.00 0.00 C ATOM 1402 O TYR A 92 170.146 5.573 1.106 1.00 0.00 O ATOM 1403 CB TYR A 92 168.445 7.783 2.724 1.00 0.00 C ATOM 1404 CG TYR A 92 167.155 8.413 3.199 1.00 0.00 C ATOM 1405 CD1 TYR A 92 166.179 7.654 3.831 1.00 0.00 C ATOM 1406 CD2 TYR A 92 166.915 9.770 3.017 1.00 0.00 C ATOM 1407 CE1 TYR A 92 164.998 8.227 4.266 1.00 0.00 C ATOM 1408 CE2 TYR A 92 165.738 10.351 3.449 1.00 0.00 C ATOM 1409 CZ TYR A 92 164.783 9.575 4.072 1.00 0.00 C ATOM 1410 OH TYR A 92 163.610 10.150 4.505 1.00 0.00 O ATOM 0 H TYR A 92 168.000 5.050 1.616 1.00 0.00 H new ATOM 0 HA TYR A 92 167.876 7.808 0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 92 168.775 7.050 3.461 1.00 0.00 H new ATOM 0 HB3 TYR A 92 169.217 8.551 2.671 1.00 0.00 H new ATOM 0 HD1 TYR A 92 166.345 6.598 3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 92 167.661 10.380 2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 92 164.249 7.622 4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 92 165.567 11.407 3.300 1.00 0.00 H new ATOM 0 HH TYR A 92 163.617 11.107 4.293 1.00 0.00 H new ATOM 1420 N ARG A 93 170.386 7.576 0.125 1.00 0.00 N ATOM 1421 CA ARG A 93 171.693 7.228 -0.399 1.00 0.00 C ATOM 1422 C ARG A 93 172.725 8.318 -0.195 1.00 0.00 C ATOM 1423 O ARG A 93 172.440 9.508 -0.341 1.00 0.00 O ATOM 1424 CB ARG A 93 171.602 6.910 -1.886 1.00 0.00 C ATOM 1425 CG ARG A 93 171.181 8.096 -2.739 1.00 0.00 C ATOM 1426 CD ARG A 93 170.427 7.651 -3.981 1.00 0.00 C ATOM 1427 NE ARG A 93 168.979 7.750 -3.809 1.00 0.00 N ATOM 1428 CZ ARG A 93 168.299 8.891 -3.904 1.00 0.00 C ATOM 1429 NH1 ARG A 93 168.930 10.029 -4.168 1.00 0.00 N ATOM 1430 NH2 ARG A 93 166.984 8.895 -3.735 1.00 0.00 N ATOM 0 H ARG A 93 170.060 8.514 -0.109 1.00 0.00 H new ATOM 0 HA ARG A 93 172.019 6.352 0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 93 172.571 6.551 -2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 93 170.890 6.098 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 93 170.552 8.764 -2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 93 172.063 8.665 -3.032 1.00 0.00 H new ATOM 0 HD2 ARG A 93 170.734 8.263 -4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 93 170.694 6.621 -4.217 1.00 0.00 H new ATOM 0 HE ARG A 93 168.460 6.896 -3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 93 169.941 10.033 -4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 93 168.403 10.900 -4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 93 166.493 8.024 -3.532 1.00 0.00 H new ATOM 0 HH22 ARG A 93 166.463 9.769 -3.808 1.00 0.00 H new ATOM 1444 N GLN A 94 173.945 7.885 0.084 1.00 0.00 N ATOM 1445 CA GLN A 94 175.061 8.791 0.243 1.00 0.00 C ATOM 1446 C GLN A 94 175.890 8.738 -1.028 1.00 0.00 C ATOM 1447 O GLN A 94 176.933 8.084 -1.080 1.00 0.00 O ATOM 1448 CB GLN A 94 175.912 8.417 1.456 1.00 0.00 C ATOM 1449 CG GLN A 94 177.141 9.294 1.627 1.00 0.00 C ATOM 1450 CD GLN A 94 178.391 8.500 1.951 1.00 0.00 C ATOM 1451 OE1 GLN A 94 178.365 7.269 1.990 1.00 0.00 O ATOM 1452 NE2 GLN A 94 179.495 9.201 2.184 1.00 0.00 N ATOM 0 H GLN A 94 174.184 6.901 0.205 1.00 0.00 H new ATOM 0 HA GLN A 94 174.691 9.802 0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.299 8.485 2.355 1.00 0.00 H new ATOM 0 HB3 GLN A 94 176.227 7.378 1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 94 177.305 9.863 0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 94 176.958 10.016 2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 94 179.471 10.220 2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 94 180.367 8.720 2.406 1.00 0.00 H new ATOM 1461 N ASP A 95 175.384 9.396 -2.062 1.00 0.00 N ATOM 1462 CA ASP A 95 176.044 9.413 -3.361 1.00 0.00 C ATOM 1463 C ASP A 95 177.228 10.366 -3.366 1.00 0.00 C ATOM 1464 O ASP A 95 177.542 10.991 -2.353 1.00 0.00 O ATOM 1465 CB ASP A 95 175.053 9.809 -4.457 1.00 0.00 C ATOM 1466 CG ASP A 95 174.397 11.150 -4.186 1.00 0.00 C ATOM 1467 OD1 ASP A 95 173.375 11.177 -3.471 1.00 0.00 O ATOM 1468 OD2 ASP A 95 174.909 12.171 -4.691 1.00 0.00 O ATOM 0 H ASP A 95 174.514 9.928 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 95 176.414 8.407 -3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 95 175.571 9.848 -5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 95 174.284 9.042 -4.542 1.00 0.00 H new ATOM 1473 N ASN A 96 177.885 10.466 -4.516 1.00 0.00 N ATOM 1474 CA ASN A 96 179.041 11.336 -4.661 1.00 0.00 C ATOM 1475 C ASN A 96 180.168 10.895 -3.728 1.00 0.00 C ATOM 1476 O ASN A 96 181.111 11.647 -3.481 1.00 0.00 O ATOM 1477 CB ASN A 96 178.644 12.784 -4.370 1.00 0.00 C ATOM 1478 CG ASN A 96 179.802 13.752 -4.519 1.00 0.00 C ATOM 1479 OD1 ASN A 96 180.733 13.511 -5.286 1.00 0.00 O ATOM 1480 ND2 ASN A 96 179.750 14.855 -3.781 1.00 0.00 N ATOM 0 H ASN A 96 177.634 9.953 -5.362 1.00 0.00 H new ATOM 0 HA ASN A 96 179.402 11.268 -5.687 1.00 0.00 H new ATOM 0 HB2 ASN A 96 177.841 13.079 -5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 96 178.249 12.851 -3.356 1.00 0.00 H new ATOM 0 HD21 ASN A 96 180.502 15.542 -3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 96 178.959 15.015 -3.158 1.00 0.00 H new ATOM 1487 N GLY A 97 180.072 9.667 -3.218 1.00 0.00 N ATOM 1488 CA GLY A 97 181.101 9.162 -2.331 1.00 0.00 C ATOM 1489 C GLY A 97 182.407 8.934 -3.052 1.00 0.00 C ATOM 1490 O GLY A 97 182.442 8.862 -4.281 1.00 0.00 O ATOM 0 H GLY A 97 179.305 9.020 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 97 181.256 9.869 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 97 180.766 8.227 -1.883 1.00 0.00 H new ATOM 1494 N GLU A 98 183.483 8.824 -2.292 1.00 0.00 N ATOM 1495 CA GLU A 98 184.800 8.607 -2.873 1.00 0.00 C ATOM 1496 C GLU A 98 185.731 7.909 -1.887 1.00 0.00 C ATOM 1497 O GLU A 98 185.580 8.041 -0.672 1.00 0.00 O ATOM 1498 CB GLU A 98 185.407 9.941 -3.313 1.00 0.00 C ATOM 1499 CG GLU A 98 186.802 9.817 -3.905 1.00 0.00 C ATOM 1500 CD GLU A 98 187.894 10.034 -2.874 1.00 0.00 C ATOM 1501 OE1 GLU A 98 188.125 11.199 -2.491 1.00 0.00 O ATOM 1502 OE2 GLU A 98 188.516 9.038 -2.451 1.00 0.00 O ATOM 0 H GLU A 98 183.473 8.881 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 98 184.683 7.961 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 98 184.750 10.403 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 98 185.445 10.612 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 98 186.918 8.828 -4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 98 186.917 10.543 -4.710 1.00 0.00 H new ATOM 1509 N TRP A 99 186.698 7.174 -2.421 1.00 0.00 N ATOM 1510 CA TRP A 99 187.666 6.457 -1.601 1.00 0.00 C ATOM 1511 C TRP A 99 188.960 6.232 -2.391 1.00 0.00 C ATOM 1512 O TRP A 99 188.989 6.419 -3.607 1.00 0.00 O ATOM 1513 CB TRP A 99 187.064 5.135 -1.113 1.00 0.00 C ATOM 1514 CG TRP A 99 187.985 4.336 -0.246 1.00 0.00 C ATOM 1515 CD1 TRP A 99 188.680 4.776 0.843 1.00 0.00 C ATOM 1516 CD2 TRP A 99 188.301 2.952 -0.395 1.00 0.00 C ATOM 1517 NE1 TRP A 99 189.430 3.750 1.365 1.00 0.00 N ATOM 1518 CE2 TRP A 99 189.210 2.620 0.623 1.00 0.00 C ATOM 1519 CE3 TRP A 99 187.907 1.961 -1.297 1.00 0.00 C ATOM 1520 CZ2 TRP A 99 189.732 1.341 0.763 1.00 0.00 C ATOM 1521 CZ3 TRP A 99 188.424 0.689 -1.157 1.00 0.00 C ATOM 1522 CH2 TRP A 99 189.329 0.388 -0.135 1.00 0.00 C ATOM 0 H TRP A 99 186.833 7.058 -3.425 1.00 0.00 H new ATOM 0 HA TRP A 99 187.912 7.055 -0.723 1.00 0.00 H new ATOM 0 HB2 TRP A 99 186.150 5.346 -0.558 1.00 0.00 H new ATOM 0 HB3 TRP A 99 186.781 4.534 -1.977 1.00 0.00 H new ATOM 0 HD1 TRP A 99 188.646 5.781 1.236 1.00 0.00 H new ATOM 0 HE1 TRP A 99 190.049 3.819 2.173 1.00 0.00 H new ATOM 0 HE3 TRP A 99 187.210 2.186 -2.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 190.431 1.106 1.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 188.125 -0.086 -1.848 1.00 0.00 H new ATOM 0 HH2 TRP A 99 189.718 -0.616 -0.052 1.00 0.00 H new ATOM 1533 N THR A 100 190.036 5.873 -1.695 1.00 0.00 N ATOM 1534 CA THR A 100 191.335 5.672 -2.337 1.00 0.00 C ATOM 1535 C THR A 100 191.747 4.203 -2.406 1.00 0.00 C ATOM 1536 O THR A 100 191.285 3.374 -1.621 1.00 0.00 O ATOM 1537 CB THR A 100 192.404 6.441 -1.557 1.00 0.00 C ATOM 1538 OG1 THR A 100 193.580 6.592 -2.332 1.00 0.00 O ATOM 1539 CG2 THR A 100 192.795 5.765 -0.249 1.00 0.00 C ATOM 0 H THR A 100 190.035 5.715 -0.687 1.00 0.00 H new ATOM 0 HA THR A 100 191.244 6.037 -3.360 1.00 0.00 H new ATOM 0 HB THR A 100 191.956 7.408 -1.329 1.00 0.00 H new ATOM 0 HG1 THR A 100 194.000 7.453 -2.125 1.00 0.00 H new ATOM 0 HG21 THR A 100 193.556 6.361 0.255 1.00 0.00 H new ATOM 0 HG22 THR A 100 191.918 5.679 0.392 1.00 0.00 H new ATOM 0 HG23 THR A 100 193.191 4.771 -0.457 1.00 0.00 H new ATOM 1547 N VAL A 101 192.655 3.907 -3.335 1.00 0.00 N ATOM 1548 CA VAL A 101 193.184 2.555 -3.498 1.00 0.00 C ATOM 1549 C VAL A 101 194.701 2.531 -3.290 1.00 0.00 C ATOM 1550 O VAL A 101 195.312 1.462 -3.261 1.00 0.00 O ATOM 1551 CB VAL A 101 192.878 1.975 -4.891 1.00 0.00 C ATOM 1552 CG1 VAL A 101 192.991 0.459 -4.862 1.00 0.00 C ATOM 1553 CG2 VAL A 101 191.495 2.400 -5.363 1.00 0.00 C ATOM 0 H VAL A 101 193.040 4.589 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 101 192.690 1.943 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 101 193.610 2.368 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 101 192.773 0.059 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 101 194.002 0.175 -4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 101 192.279 0.055 -4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 101 191.302 1.978 -6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 101 190.744 2.039 -4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 101 191.448 3.488 -5.418 1.00 0.00 H new ATOM 1563 N THR A 102 195.302 3.713 -3.150 1.00 0.00 N ATOM 1564 CA THR A 102 196.744 3.828 -2.956 1.00 0.00 C ATOM 1565 C THR A 102 197.192 3.234 -1.622 1.00 0.00 C ATOM 1566 O THR A 102 198.389 3.111 -1.364 1.00 0.00 O ATOM 1567 CB THR A 102 197.170 5.295 -3.033 1.00 0.00 C ATOM 1568 OG1 THR A 102 198.524 5.447 -2.643 1.00 0.00 O ATOM 1569 CG2 THR A 102 196.336 6.206 -2.159 1.00 0.00 C ATOM 0 H THR A 102 194.809 4.606 -3.168 1.00 0.00 H new ATOM 0 HA THR A 102 197.225 3.260 -3.753 1.00 0.00 H new ATOM 0 HB THR A 102 197.025 5.583 -4.074 1.00 0.00 H new ATOM 0 HG1 THR A 102 198.730 4.815 -1.923 1.00 0.00 H new ATOM 0 HG21 THR A 102 196.690 7.232 -2.260 1.00 0.00 H new ATOM 0 HG22 THR A 102 195.292 6.151 -2.468 1.00 0.00 H new ATOM 0 HG23 THR A 102 196.424 5.893 -1.119 1.00 0.00 H new ATOM 1577 N GLU A 103 196.237 2.870 -0.774 1.00 0.00 N ATOM 1578 CA GLU A 103 196.562 2.296 0.525 1.00 0.00 C ATOM 1579 C GLU A 103 195.707 1.068 0.810 1.00 0.00 C ATOM 1580 O GLU A 103 194.501 1.068 0.563 1.00 0.00 O ATOM 1581 CB GLU A 103 196.369 3.340 1.627 1.00 0.00 C ATOM 1582 CG GLU A 103 197.636 3.638 2.411 1.00 0.00 C ATOM 1583 CD GLU A 103 197.446 4.748 3.426 1.00 0.00 C ATOM 1584 OE1 GLU A 103 197.227 5.904 3.007 1.00 0.00 O ATOM 1585 OE2 GLU A 103 197.519 4.461 4.640 1.00 0.00 O ATOM 0 H GLU A 103 195.238 2.961 -0.961 1.00 0.00 H new ATOM 0 HA GLU A 103 197.607 1.986 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 103 196.002 4.264 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 103 195.599 2.991 2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 103 197.963 2.733 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 103 198.430 3.916 1.718 1.00 0.00 H new ATOM 1592 N PHE A 104 196.336 0.028 1.344 1.00 0.00 N ATOM 1593 CA PHE A 104 195.633 -1.201 1.677 1.00 0.00 C ATOM 1594 C PHE A 104 195.809 -1.502 3.157 1.00 0.00 C ATOM 1595 O PHE A 104 196.783 -1.069 3.765 1.00 0.00 O ATOM 1596 CB PHE A 104 196.168 -2.367 0.841 1.00 0.00 C ATOM 1597 CG PHE A 104 196.035 -2.166 -0.644 1.00 0.00 C ATOM 1598 CD1 PHE A 104 196.727 -1.153 -1.287 1.00 0.00 C ATOM 1599 CD2 PHE A 104 195.223 -2.999 -1.397 1.00 0.00 C ATOM 1600 CE1 PHE A 104 196.613 -0.974 -2.653 1.00 0.00 C ATOM 1601 CE2 PHE A 104 195.102 -2.825 -2.763 1.00 0.00 C ATOM 1602 CZ PHE A 104 195.798 -1.811 -3.393 1.00 0.00 C ATOM 0 H PHE A 104 197.334 0.013 1.555 1.00 0.00 H new ATOM 0 HA PHE A 104 194.573 -1.073 1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 104 197.219 -2.523 1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 104 195.638 -3.277 1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 104 197.363 -0.495 -0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 104 194.678 -3.794 -0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 104 197.160 -0.181 -3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 104 194.464 -3.481 -3.337 1.00 0.00 H new ATOM 0 HZ PHE A 104 195.706 -1.673 -4.460 1.00 0.00 H new ATOM 1612 N VAL A 105 194.873 -2.243 3.736 1.00 0.00 N ATOM 1613 CA VAL A 105 194.962 -2.588 5.146 1.00 0.00 C ATOM 1614 C VAL A 105 195.268 -4.071 5.326 1.00 0.00 C ATOM 1615 O VAL A 105 194.929 -4.898 4.479 1.00 0.00 O ATOM 1616 CB VAL A 105 193.679 -2.211 5.922 1.00 0.00 C ATOM 1617 CG1 VAL A 105 193.292 -0.769 5.634 1.00 0.00 C ATOM 1618 CG2 VAL A 105 192.534 -3.154 5.574 1.00 0.00 C ATOM 0 H VAL A 105 194.052 -2.613 3.256 1.00 0.00 H new ATOM 0 HA VAL A 105 195.783 -2.004 5.562 1.00 0.00 H new ATOM 0 HB VAL A 105 193.883 -2.310 6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 105 192.387 -0.518 6.187 1.00 0.00 H new ATOM 0 HG12 VAL A 105 194.101 -0.107 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 105 193.110 -0.647 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 105 191.644 -2.867 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 105 192.326 -3.095 4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 105 192.812 -4.175 5.834 1.00 0.00 H new ATOM 1628 N ASN A 106 195.923 -4.386 6.429 1.00 0.00 N ATOM 1629 CA ASN A 106 196.308 -5.749 6.751 1.00 0.00 C ATOM 1630 C ASN A 106 195.162 -6.513 7.377 1.00 0.00 C ATOM 1631 O ASN A 106 194.298 -5.929 8.033 1.00 0.00 O ATOM 1632 CB ASN A 106 197.498 -5.731 7.711 1.00 0.00 C ATOM 1633 CG ASN A 106 198.820 -5.933 7.002 1.00 0.00 C ATOM 1634 OD1 ASN A 106 199.796 -5.090 7.322 1.00 0.00 O flip ATOM 1635 ND2 ASN A 106 198.966 -6.834 6.177 1.00 0.00 N flip ATOM 0 H ASN A 106 196.204 -3.701 7.130 1.00 0.00 H new ATOM 0 HA ASN A 106 196.584 -6.252 5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 106 197.517 -4.780 8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 106 197.368 -6.512 8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 106 198.189 -7.459 5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 106 199.864 -6.956 5.709 1.00 0.00 H new ATOM 1642 N GLU A 107 195.183 -7.831 7.216 1.00 0.00 N ATOM 1643 CA GLU A 107 194.164 -8.675 7.816 1.00 0.00 C ATOM 1644 C GLU A 107 194.126 -8.408 9.317 1.00 0.00 C ATOM 1645 O GLU A 107 193.151 -8.730 9.998 1.00 0.00 O ATOM 1646 CB GLU A 107 194.457 -10.152 7.545 1.00 0.00 C ATOM 1647 CG GLU A 107 193.210 -10.979 7.269 1.00 0.00 C ATOM 1648 CD GLU A 107 193.485 -12.469 7.290 1.00 0.00 C ATOM 1649 OE1 GLU A 107 194.556 -12.883 6.799 1.00 0.00 O ATOM 1650 OE2 GLU A 107 192.627 -13.224 7.795 1.00 0.00 O ATOM 0 H GLU A 107 195.890 -8.333 6.679 1.00 0.00 H new ATOM 0 HA GLU A 107 193.195 -8.441 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 107 195.131 -10.230 6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 107 194.980 -10.574 8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 107 192.449 -10.743 8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 107 192.802 -10.702 6.297 1.00 0.00 H new ATOM 1657 N ASP A 108 195.199 -7.789 9.816 1.00 0.00 N ATOM 1658 CA ASP A 108 195.303 -7.442 11.225 1.00 0.00 C ATOM 1659 C ASP A 108 194.371 -6.281 11.547 1.00 0.00 C ATOM 1660 O ASP A 108 193.853 -6.177 12.659 1.00 0.00 O ATOM 1661 CB ASP A 108 196.744 -7.074 11.581 1.00 0.00 C ATOM 1662 CG ASP A 108 197.564 -8.281 11.991 1.00 0.00 C ATOM 1663 OD1 ASP A 108 197.072 -9.083 12.812 1.00 0.00 O ATOM 1664 OD2 ASP A 108 198.700 -8.423 11.490 1.00 0.00 O ATOM 0 H ASP A 108 196.009 -7.519 9.257 1.00 0.00 H new ATOM 0 HA ASP A 108 195.010 -8.308 11.819 1.00 0.00 H new ATOM 0 HB2 ASP A 108 197.215 -6.592 10.724 1.00 0.00 H new ATOM 0 HB3 ASP A 108 196.740 -6.347 12.394 1.00 0.00 H new ATOM 1669 N GLY A 109 194.149 -5.410 10.560 1.00 0.00 N ATOM 1670 CA GLY A 109 193.267 -4.278 10.762 1.00 0.00 C ATOM 1671 C GLY A 109 193.963 -2.939 10.619 1.00 0.00 C ATOM 1672 O GLY A 109 193.441 -1.917 11.065 1.00 0.00 O ATOM 0 H GLY A 109 194.564 -5.471 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 109 192.449 -4.332 10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 109 192.824 -4.345 11.756 1.00 0.00 H new ATOM 1676 N THR A 110 195.131 -2.929 9.983 1.00 0.00 N ATOM 1677 CA THR A 110 195.862 -1.685 9.780 1.00 0.00 C ATOM 1678 C THR A 110 196.546 -1.668 8.426 1.00 0.00 C ATOM 1679 O THR A 110 196.735 -2.702 7.800 1.00 0.00 O ATOM 1680 CB THR A 110 196.882 -1.446 10.891 1.00 0.00 C ATOM 1681 OG1 THR A 110 198.088 -2.141 10.627 1.00 0.00 O ATOM 1682 CG2 THR A 110 196.395 -1.869 12.261 1.00 0.00 C ATOM 0 H THR A 110 195.587 -3.759 9.604 1.00 0.00 H new ATOM 0 HA THR A 110 195.133 -0.875 9.810 1.00 0.00 H new ATOM 0 HB THR A 110 197.043 -0.368 10.902 1.00 0.00 H new ATOM 0 HG1 THR A 110 198.728 -1.973 11.350 1.00 0.00 H new ATOM 0 HG21 THR A 110 197.171 -1.670 13.000 1.00 0.00 H new ATOM 0 HG22 THR A 110 195.497 -1.307 12.517 1.00 0.00 H new ATOM 0 HG23 THR A 110 196.166 -2.935 12.253 1.00 0.00 H new ATOM 1690 N PRO A 111 196.918 -0.476 7.959 1.00 0.00 N ATOM 1691 CA PRO A 111 197.567 -0.298 6.661 1.00 0.00 C ATOM 1692 C PRO A 111 198.675 -1.311 6.398 1.00 0.00 C ATOM 1693 O PRO A 111 199.575 -1.500 7.218 1.00 0.00 O ATOM 1694 CB PRO A 111 198.126 1.121 6.745 1.00 0.00 C ATOM 1695 CG PRO A 111 197.192 1.832 7.666 1.00 0.00 C ATOM 1696 CD PRO A 111 196.725 0.803 8.664 1.00 0.00 C ATOM 0 HA PRO A 111 196.872 -0.451 5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 111 199.145 1.125 7.132 1.00 0.00 H new ATOM 0 HB3 PRO A 111 198.155 1.596 5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 111 197.693 2.661 8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 111 196.350 2.254 7.118 1.00 0.00 H new ATOM 0 HD2 PRO A 111 197.307 0.845 9.585 1.00 0.00 H new ATOM 0 HD3 PRO A 111 195.681 0.956 8.939 1.00 0.00 H new ATOM 1704 N ALA A 112 198.590 -1.960 5.240 1.00 0.00 N ATOM 1705 CA ALA A 112 199.566 -2.961 4.842 1.00 0.00 C ATOM 1706 C ALA A 112 200.683 -2.346 4.008 1.00 0.00 C ATOM 1707 O ALA A 112 200.572 -2.231 2.788 1.00 0.00 O ATOM 1708 CB ALA A 112 198.884 -4.082 4.073 1.00 0.00 C ATOM 0 H ALA A 112 197.847 -1.806 4.558 1.00 0.00 H new ATOM 0 HA ALA A 112 200.015 -3.373 5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 112 199.625 -4.826 3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 112 198.130 -4.551 4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 112 198.407 -3.674 3.182 1.00 0.00 H new ATOM 1714 N ASP A 113 201.762 -1.958 4.676 1.00 0.00 N ATOM 1715 CA ASP A 113 202.907 -1.358 4.001 1.00 0.00 C ATOM 1716 C ASP A 113 203.652 -2.399 3.171 1.00 0.00 C ATOM 1717 O ASP A 113 203.181 -3.524 3.000 1.00 0.00 O ATOM 1718 CB ASP A 113 203.857 -0.727 5.021 1.00 0.00 C ATOM 1719 CG ASP A 113 204.446 0.580 4.530 1.00 0.00 C ATOM 1720 OD1 ASP A 113 205.488 0.542 3.844 1.00 0.00 O ATOM 1721 OD2 ASP A 113 203.866 1.645 4.833 1.00 0.00 O ATOM 0 H ASP A 113 201.869 -2.048 5.686 1.00 0.00 H new ATOM 0 HA ASP A 113 202.537 -0.580 3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 113 203.321 -0.553 5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 113 204.664 -1.426 5.243 1.00 0.00 H new ATOM 1726 N THR A 114 204.816 -2.018 2.657 1.00 0.00 N ATOM 1727 CA THR A 114 205.625 -2.921 1.844 1.00 0.00 C ATOM 1728 C THR A 114 206.149 -4.084 2.681 1.00 0.00 C ATOM 1729 O THR A 114 206.296 -5.201 2.186 1.00 0.00 O ATOM 1730 CB THR A 114 206.795 -2.165 1.214 1.00 0.00 C ATOM 1731 OG1 THR A 114 207.523 -1.455 2.200 1.00 0.00 O ATOM 1732 CG2 THR A 114 206.366 -1.170 0.156 1.00 0.00 C ATOM 0 H THR A 114 205.221 -1.091 2.788 1.00 0.00 H new ATOM 0 HA THR A 114 204.992 -3.322 1.052 1.00 0.00 H new ATOM 0 HB THR A 114 207.411 -2.930 0.742 1.00 0.00 H new ATOM 0 HG1 THR A 114 208.268 -0.979 1.777 1.00 0.00 H new ATOM 0 HG21 THR A 114 207.245 -0.669 -0.250 1.00 0.00 H new ATOM 0 HG22 THR A 114 205.844 -1.693 -0.645 1.00 0.00 H new ATOM 0 HG23 THR A 114 205.700 -0.431 0.601 1.00 0.00 H new ATOM 1740 N SER A 115 206.433 -3.813 3.952 1.00 0.00 N ATOM 1741 CA SER A 115 206.942 -4.837 4.857 1.00 0.00 C ATOM 1742 C SER A 115 208.287 -5.372 4.372 1.00 0.00 C ATOM 1743 O SER A 115 208.797 -4.949 3.335 1.00 0.00 O ATOM 1744 CB SER A 115 205.939 -5.985 4.982 1.00 0.00 C ATOM 1745 OG SER A 115 206.356 -6.924 5.958 1.00 0.00 O ATOM 0 H SER A 115 206.319 -2.893 4.378 1.00 0.00 H new ATOM 0 HA SER A 115 207.084 -4.381 5.837 1.00 0.00 H new ATOM 0 HB2 SER A 115 204.960 -5.589 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 115 205.829 -6.482 4.018 1.00 0.00 H new ATOM 0 HG SER A 115 206.771 -7.694 5.515 1.00 0.00 H new ATOM 1751 N LEU A 116 208.855 -6.304 5.131 1.00 0.00 N ATOM 1752 CA LEU A 116 210.140 -6.896 4.777 1.00 0.00 C ATOM 1753 C LEU A 116 210.116 -8.408 4.972 1.00 0.00 C ATOM 1754 O LEU A 116 210.607 -8.924 5.976 1.00 0.00 O ATOM 1755 CB LEU A 116 211.259 -6.280 5.621 1.00 0.00 C ATOM 1756 CG LEU A 116 211.034 -6.340 7.136 1.00 0.00 C ATOM 1757 CD1 LEU A 116 211.995 -7.327 7.782 1.00 0.00 C ATOM 1758 CD2 LEU A 116 211.190 -4.958 7.755 1.00 0.00 C ATOM 0 H LEU A 116 208.447 -6.665 5.993 1.00 0.00 H new ATOM 0 HA LEU A 116 210.329 -6.687 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 116 212.193 -6.790 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 116 211.383 -5.237 5.328 1.00 0.00 H new ATOM 0 HG LEU A 116 210.016 -6.685 7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 116 211.819 -7.355 8.857 1.00 0.00 H new ATOM 0 HD12 LEU A 116 211.834 -8.320 7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 116 213.021 -7.014 7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 116 211.027 -5.021 8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 116 212.195 -4.584 7.562 1.00 0.00 H new ATOM 0 HD23 LEU A 116 210.460 -4.278 7.316 1.00 0.00 H new ATOM 1770 N GLU A 117 209.539 -9.115 4.005 1.00 0.00 N ATOM 1771 CA GLU A 117 209.450 -10.569 4.070 1.00 0.00 C ATOM 1772 C GLU A 117 210.698 -11.217 3.469 1.00 0.00 C ATOM 1773 O GLU A 117 211.004 -11.013 2.294 1.00 0.00 O ATOM 1774 CB GLU A 117 208.203 -11.056 3.329 1.00 0.00 C ATOM 1775 CG GLU A 117 207.612 -12.332 3.906 1.00 0.00 C ATOM 1776 CD GLU A 117 207.059 -13.253 2.837 1.00 0.00 C ATOM 1777 OE1 GLU A 117 205.900 -13.048 2.419 1.00 0.00 O ATOM 1778 OE2 GLU A 117 207.785 -14.177 2.415 1.00 0.00 O ATOM 0 H GLU A 117 209.126 -8.704 3.167 1.00 0.00 H new ATOM 0 HA GLU A 117 209.379 -10.859 5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 117 207.447 -10.272 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 117 208.455 -11.223 2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 117 208.379 -12.859 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 117 206.817 -12.076 4.606 1.00 0.00 H new ATOM 1785 N PRO A 118 211.437 -12.012 4.265 1.00 0.00 N ATOM 1786 CA PRO A 118 212.652 -12.685 3.795 1.00 0.00 C ATOM 1787 C PRO A 118 212.347 -13.809 2.810 1.00 0.00 C ATOM 1788 O PRO A 118 211.315 -14.489 2.992 1.00 0.00 O ATOM 1789 CB PRO A 118 213.265 -13.250 5.077 1.00 0.00 C ATOM 1790 CG PRO A 118 212.112 -13.429 6.000 1.00 0.00 C ATOM 1791 CD PRO A 118 211.151 -12.318 5.681 1.00 0.00 C ATOM 0 HA PRO A 118 213.311 -12.005 3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 118 213.773 -14.196 4.890 1.00 0.00 H new ATOM 0 HB3 PRO A 118 214.005 -12.568 5.496 1.00 0.00 H new ATOM 0 HG2 PRO A 118 211.644 -14.403 5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 118 212.434 -13.380 7.040 1.00 0.00 H new ATOM 0 HD2 PRO A 118 210.116 -12.629 5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 118 211.314 -11.450 6.320 1.00 0.00 H new TER 1799 PRO A 118