USER MOD reduce.3.24.130724 H: found=0, std=0, add=1067, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1064 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 136 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 137 ASN : amide:sc= 0 X(o=0,f=0.096) USER MOD Set 2.1: A 130 LYS NZ :NH3+ -155:sc= 0 (180deg=0) USER MOD Set 2.2: A 131 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Set 3.1: A 75 MET CE :methyl -151:sc= 0 (180deg=-0.89) USER MOD Set 3.2: A 95 MET CE :methyl 172:sc= 0 (180deg=-0.15) USER MOD Set 4.1: A 32 SER OG : rot 84:sc= 0.879 USER MOD Set 4.2: A 40 TYR OH : rot -13:sc= 0.00932 USER MOD Set 4.3: A 42 GLN : amide:sc= -0.0326 K(o=1.6,f=0.83) USER MOD Set 4.4: A 126 ASN :FLIP amide:sc= 0.775 F(o=0.35,f=1.6) USER MOD Single : A 0 GLY N :NH3+ -123:sc= 0.0768 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 92:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.479 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.101) USER MOD Single : A 28 CYS SG : rot 160:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc=-0.00722 X(o=-0.0072,f=-0.063) USER MOD Single : A 48 HIS : no HE2:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 130:sc= 0.0778 USER MOD Single : A 70 LYS NZ :NH3+ -103:sc= 0.0303 (180deg=-0.0039) USER MOD Single : A 72 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-4) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.041) USER MOD Single : A 102 ASN : amide:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -140:sc= 0.423 (180deg=0.00617) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0536 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.19) USER MOD Single : A 115 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.0018) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N GLY A 0 1.150 1.565 -2.944 1.00 0.00 N ATOM 9 CA GLY A 0 0.446 2.511 -3.811 1.00 0.00 C ATOM 10 C GLY A 0 0.118 3.810 -3.069 1.00 0.00 C ATOM 11 O GLY A 0 0.261 3.891 -1.846 1.00 0.00 O ATOM 0 H1 GLY A 0 2.059 1.307 -3.378 1.00 0.00 H new ATOM 0 H2 GLY A 0 1.321 2.005 -2.017 1.00 0.00 H new ATOM 0 H3 GLY A 0 0.571 0.710 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 0 1.060 2.734 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.475 2.056 -4.177 1.00 0.00 H new ATOM 15 N ALA A 1 -0.280 4.842 -3.814 1.00 0.00 N ATOM 16 CA ALA A 1 -0.413 6.204 -3.295 1.00 0.00 C ATOM 17 C ALA A 1 -1.303 7.097 -4.193 1.00 0.00 C ATOM 18 O ALA A 1 -1.764 6.676 -5.259 1.00 0.00 O ATOM 19 CB ALA A 1 1.006 6.744 -3.124 1.00 0.00 C ATOM 0 H ALA A 1 -0.521 4.756 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.931 6.204 -2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.964 7.762 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.554 6.113 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.514 6.743 -4.088 1.00 0.00 H new ATOM 25 N LEU A 2 -1.533 8.339 -3.757 1.00 0.00 N ATOM 26 CA LEU A 2 -2.440 9.321 -4.365 1.00 0.00 C ATOM 27 C LEU A 2 -1.652 10.544 -4.860 1.00 0.00 C ATOM 28 O LEU A 2 -0.635 10.905 -4.268 1.00 0.00 O ATOM 29 CB LEU A 2 -3.462 9.756 -3.300 1.00 0.00 C ATOM 30 CG LEU A 2 -4.328 8.617 -2.729 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.086 9.069 -1.486 1.00 0.00 C ATOM 32 CD2 LEU A 2 -5.340 8.102 -3.751 1.00 0.00 C ATOM 0 H LEU A 2 -1.068 8.707 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 2 -2.948 8.874 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -2.928 10.234 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.119 10.510 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.640 7.812 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.688 8.243 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.376 9.382 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.737 9.905 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.930 7.300 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.001 8.915 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.812 7.723 -4.626 1.00 0.00 H new ATOM 44 N SER A 3 -2.097 11.180 -5.948 1.00 0.00 N ATOM 45 CA SER A 3 -1.416 12.371 -6.499 1.00 0.00 C ATOM 46 C SER A 3 -1.412 13.562 -5.525 1.00 0.00 C ATOM 47 O SER A 3 -2.234 13.632 -4.614 1.00 0.00 O ATOM 48 CB SER A 3 -2.051 12.769 -7.833 1.00 0.00 C ATOM 49 OG SER A 3 -1.233 13.718 -8.495 1.00 0.00 O ATOM 0 H SER A 3 -2.926 10.895 -6.470 1.00 0.00 H new ATOM 0 HA SER A 3 -0.373 12.098 -6.659 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.181 11.887 -8.461 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.043 13.188 -7.663 1.00 0.00 H new ATOM 0 HG SER A 3 -1.645 13.966 -9.349 1.00 0.00 H new ATOM 55 N TYR A 4 -0.529 14.547 -5.739 1.00 0.00 N ATOM 56 CA TYR A 4 -0.557 15.819 -5.000 1.00 0.00 C ATOM 57 C TYR A 4 -1.945 16.470 -5.055 1.00 0.00 C ATOM 58 O TYR A 4 -2.480 16.903 -4.038 1.00 0.00 O ATOM 59 CB TYR A 4 0.483 16.782 -5.585 1.00 0.00 C ATOM 60 CG TYR A 4 0.505 18.139 -4.899 1.00 0.00 C ATOM 61 CD1 TYR A 4 -0.353 19.166 -5.341 1.00 0.00 C ATOM 62 CD2 TYR A 4 1.346 18.360 -3.792 1.00 0.00 C ATOM 63 CE1 TYR A 4 -0.391 20.401 -4.664 1.00 0.00 C ATOM 64 CE2 TYR A 4 1.313 19.594 -3.111 1.00 0.00 C ATOM 65 CZ TYR A 4 0.438 20.615 -3.541 1.00 0.00 C ATOM 66 OH TYR A 4 0.403 21.801 -2.875 1.00 0.00 O ATOM 0 H TYR A 4 0.222 14.486 -6.426 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.322 15.606 -3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 4 1.471 16.328 -5.508 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.279 16.923 -6.646 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.984 19.006 -6.203 1.00 0.00 H new ATOM 0 HD2 TYR A 4 2.019 17.582 -3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.054 21.183 -5.004 1.00 0.00 H new ATOM 0 HE2 TYR A 4 1.957 19.758 -2.260 1.00 0.00 H new ATOM 0 HH TYR A 4 1.037 21.775 -2.128 1.00 0.00 H new ATOM 76 N GLU A 5 -2.540 16.483 -6.251 1.00 0.00 N ATOM 77 CA GLU A 5 -3.860 17.063 -6.548 1.00 0.00 C ATOM 78 C GLU A 5 -4.999 16.496 -5.691 1.00 0.00 C ATOM 79 O GLU A 5 -6.028 17.148 -5.503 1.00 0.00 O ATOM 80 CB GLU A 5 -4.208 16.768 -8.011 1.00 0.00 C ATOM 81 CG GLU A 5 -3.245 17.404 -9.012 1.00 0.00 C ATOM 82 CD GLU A 5 -3.366 18.940 -9.037 1.00 0.00 C ATOM 83 OE1 GLU A 5 -4.398 19.467 -9.520 1.00 0.00 O ATOM 84 OE2 GLU A 5 -2.430 19.636 -8.575 1.00 0.00 O ATOM 0 H GLU A 5 -2.100 16.074 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.779 18.128 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.215 15.689 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.218 17.125 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.222 17.125 -8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.445 17.009 -10.008 1.00 0.00 H new ATOM 91 N THR A 6 -4.822 15.269 -5.203 1.00 0.00 N ATOM 92 CA THR A 6 -5.789 14.552 -4.364 1.00 0.00 C ATOM 93 C THR A 6 -5.986 15.232 -3.005 1.00 0.00 C ATOM 94 O THR A 6 -5.146 15.127 -2.108 1.00 0.00 O ATOM 95 CB THR A 6 -5.358 13.088 -4.178 1.00 0.00 C ATOM 96 OG1 THR A 6 -5.186 12.468 -5.437 1.00 0.00 O ATOM 97 CG2 THR A 6 -6.409 12.294 -3.416 1.00 0.00 C ATOM 0 H THR A 6 -3.977 14.728 -5.385 1.00 0.00 H new ATOM 0 HA THR A 6 -6.749 14.575 -4.880 1.00 0.00 H new ATOM 0 HB THR A 6 -4.424 13.097 -3.616 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.251 12.553 -5.719 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.074 11.263 -3.301 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.558 12.739 -2.432 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.349 12.311 -3.968 1.00 0.00 H new ATOM 105 N GLU A 7 -7.106 15.941 -2.837 1.00 0.00 N ATOM 106 CA GLU A 7 -7.427 16.628 -1.581 1.00 0.00 C ATOM 107 C GLU A 7 -8.116 15.692 -0.577 1.00 0.00 C ATOM 108 O GLU A 7 -9.051 14.959 -0.920 1.00 0.00 O ATOM 109 CB GLU A 7 -8.300 17.874 -1.805 1.00 0.00 C ATOM 110 CG GLU A 7 -7.841 18.759 -2.972 1.00 0.00 C ATOM 111 CD GLU A 7 -8.612 20.091 -3.018 1.00 0.00 C ATOM 112 OE1 GLU A 7 -9.841 20.080 -3.272 1.00 0.00 O ATOM 113 OE2 GLU A 7 -7.989 21.164 -2.826 1.00 0.00 O ATOM 0 H GLU A 7 -7.813 16.055 -3.563 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.472 16.948 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.327 17.557 -1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.306 18.469 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.774 18.960 -2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.983 18.224 -3.911 1.00 0.00 H new ATOM 120 N ILE A 8 -7.687 15.764 0.685 1.00 0.00 N ATOM 121 CA ILE A 8 -8.258 15.034 1.823 1.00 0.00 C ATOM 122 C ILE A 8 -8.979 16.045 2.715 1.00 0.00 C ATOM 123 O ILE A 8 -8.417 17.096 3.034 1.00 0.00 O ATOM 124 CB ILE A 8 -7.150 14.316 2.636 1.00 0.00 C ATOM 125 CG1 ILE A 8 -6.124 13.539 1.782 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.772 13.383 3.693 1.00 0.00 C ATOM 127 CD1 ILE A 8 -6.713 12.558 0.764 1.00 0.00 C ATOM 0 H ILE A 8 -6.901 16.356 0.955 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.949 14.273 1.460 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.588 15.115 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.504 14.259 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.465 12.986 2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.979 12.888 4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.389 13.967 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.389 12.633 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.905 12.068 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.308 11.807 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.347 13.099 0.061 1.00 0.00 H new ATOM 139 N LEU A 9 -10.217 15.751 3.121 1.00 0.00 N ATOM 140 CA LEU A 9 -10.913 16.548 4.142 1.00 0.00 C ATOM 141 C LEU A 9 -10.278 16.358 5.535 1.00 0.00 C ATOM 142 O LEU A 9 -10.231 15.238 6.053 1.00 0.00 O ATOM 143 CB LEU A 9 -12.418 16.211 4.135 1.00 0.00 C ATOM 144 CG LEU A 9 -13.292 17.359 4.685 1.00 0.00 C ATOM 145 CD1 LEU A 9 -14.679 17.349 4.048 1.00 0.00 C ATOM 146 CD2 LEU A 9 -13.491 17.272 6.190 1.00 0.00 C ATOM 0 H LEU A 9 -10.761 14.967 2.760 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.804 17.605 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.729 15.980 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.587 15.314 4.731 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.755 18.275 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.272 18.168 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.585 17.470 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.172 16.402 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.113 18.103 6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.980 16.330 6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.523 17.320 6.688 1.00 0.00 H new ATOM 158 N THR A 10 -9.840 17.457 6.161 1.00 0.00 N ATOM 159 CA THR A 10 -9.236 17.473 7.508 1.00 0.00 C ATOM 160 C THR A 10 -10.019 18.354 8.486 1.00 0.00 C ATOM 161 O THR A 10 -10.661 19.330 8.095 1.00 0.00 O ATOM 162 CB THR A 10 -7.751 17.892 7.484 1.00 0.00 C ATOM 163 OG1 THR A 10 -7.595 19.275 7.265 1.00 0.00 O ATOM 164 CG2 THR A 10 -6.920 17.151 6.435 1.00 0.00 C ATOM 0 H THR A 10 -9.895 18.384 5.739 1.00 0.00 H new ATOM 0 HA THR A 10 -9.288 16.444 7.864 1.00 0.00 H new ATOM 0 HB THR A 10 -7.382 17.622 8.473 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.641 19.500 7.258 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.888 17.498 6.477 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.952 16.080 6.636 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.328 17.346 5.443 1.00 0.00 H new ATOM 172 N VAL A 11 -9.967 18.013 9.780 1.00 0.00 N ATOM 173 CA VAL A 11 -10.557 18.839 10.861 1.00 0.00 C ATOM 174 C VAL A 11 -9.700 20.069 11.170 1.00 0.00 C ATOM 175 O VAL A 11 -10.226 21.153 11.426 1.00 0.00 O ATOM 176 CB VAL A 11 -10.774 18.020 12.150 1.00 0.00 C ATOM 177 CG1 VAL A 11 -11.511 18.815 13.236 1.00 0.00 C ATOM 178 CG2 VAL A 11 -11.589 16.749 11.880 1.00 0.00 C ATOM 0 H VAL A 11 -9.518 17.161 10.115 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.527 19.176 10.495 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.773 17.767 12.499 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.637 18.191 14.121 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.931 19.700 13.496 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.489 19.119 12.864 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.722 16.197 12.811 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.565 17.021 11.477 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.061 16.124 11.160 1.00 0.00 H new ATOM 188 N GLU A 12 -8.374 19.917 11.118 1.00 0.00 N ATOM 189 CA GLU A 12 -7.415 20.990 11.425 1.00 0.00 C ATOM 190 C GLU A 12 -7.448 22.162 10.428 1.00 0.00 C ATOM 191 O GLU A 12 -7.164 23.294 10.828 1.00 0.00 O ATOM 192 CB GLU A 12 -5.998 20.397 11.489 1.00 0.00 C ATOM 193 CG GLU A 12 -5.630 19.892 12.892 1.00 0.00 C ATOM 194 CD GLU A 12 -5.476 21.044 13.906 1.00 0.00 C ATOM 195 OE1 GLU A 12 -4.451 21.767 13.866 1.00 0.00 O ATOM 196 OE2 GLU A 12 -6.377 21.232 14.760 1.00 0.00 O ATOM 0 H GLU A 12 -7.928 19.037 10.859 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.709 21.408 12.388 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.921 19.574 10.779 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.277 21.154 11.179 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.399 19.204 13.241 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.698 19.329 12.840 1.00 0.00 H new ATOM 203 N TYR A 13 -7.824 21.917 9.163 1.00 0.00 N ATOM 204 CA TYR A 13 -7.855 22.951 8.115 1.00 0.00 C ATOM 205 C TYR A 13 -9.048 22.843 7.149 1.00 0.00 C ATOM 206 O TYR A 13 -9.733 23.845 6.924 1.00 0.00 O ATOM 207 CB TYR A 13 -6.544 22.901 7.314 1.00 0.00 C ATOM 208 CG TYR A 13 -5.300 23.355 8.059 1.00 0.00 C ATOM 209 CD1 TYR A 13 -5.181 24.704 8.454 1.00 0.00 C ATOM 210 CD2 TYR A 13 -4.249 22.453 8.326 1.00 0.00 C ATOM 211 CE1 TYR A 13 -4.023 25.149 9.120 1.00 0.00 C ATOM 212 CE2 TYR A 13 -3.085 22.896 8.988 1.00 0.00 C ATOM 213 CZ TYR A 13 -2.970 24.248 9.387 1.00 0.00 C ATOM 214 OH TYR A 13 -1.848 24.690 10.017 1.00 0.00 O ATOM 0 H TYR A 13 -8.116 20.996 8.837 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.972 23.903 8.632 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.387 21.878 6.972 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.659 23.521 6.425 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.981 25.398 8.245 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.336 21.420 8.023 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.940 26.181 9.427 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.282 22.203 9.190 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.220 23.946 10.127 1.00 0.00 H new ATOM 224 N GLY A 14 -9.299 21.668 6.562 1.00 0.00 N ATOM 225 CA GLY A 14 -10.312 21.465 5.516 1.00 0.00 C ATOM 226 C GLY A 14 -9.800 20.592 4.365 1.00 0.00 C ATOM 227 O GLY A 14 -8.873 19.804 4.539 1.00 0.00 O ATOM 0 H GLY A 14 -8.796 20.815 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.195 21.001 5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.623 22.433 5.123 1.00 0.00 H new ATOM 231 N LEU A 15 -10.407 20.728 3.184 1.00 0.00 N ATOM 232 CA LEU A 15 -9.925 20.135 1.929 1.00 0.00 C ATOM 233 C LEU A 15 -8.509 20.646 1.578 1.00 0.00 C ATOM 234 O LEU A 15 -8.363 21.789 1.136 1.00 0.00 O ATOM 235 CB LEU A 15 -10.911 20.486 0.792 1.00 0.00 C ATOM 236 CG LEU A 15 -12.358 19.995 0.971 1.00 0.00 C ATOM 237 CD1 LEU A 15 -13.205 20.416 -0.228 1.00 0.00 C ATOM 238 CD2 LEU A 15 -12.416 18.477 1.095 1.00 0.00 C ATOM 0 H LEU A 15 -11.267 21.265 3.068 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.869 19.053 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.929 21.570 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.522 20.073 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.746 20.443 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.228 20.064 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.203 21.503 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.789 19.982 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.452 18.161 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.005 18.022 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.833 18.160 1.960 1.00 0.00 H new ATOM 250 N LEU A 16 -7.472 19.813 1.748 1.00 0.00 N ATOM 251 CA LEU A 16 -6.077 20.125 1.391 1.00 0.00 C ATOM 252 C LEU A 16 -5.371 18.965 0.662 1.00 0.00 C ATOM 253 O LEU A 16 -5.676 17.801 0.932 1.00 0.00 O ATOM 254 CB LEU A 16 -5.278 20.476 2.664 1.00 0.00 C ATOM 255 CG LEU A 16 -5.585 21.842 3.302 1.00 0.00 C ATOM 256 CD1 LEU A 16 -4.642 22.034 4.489 1.00 0.00 C ATOM 257 CD2 LEU A 16 -5.361 23.014 2.344 1.00 0.00 C ATOM 0 H LEU A 16 -7.581 18.881 2.147 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.110 20.973 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.461 19.701 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.216 20.441 2.422 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.636 21.838 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.840 22.997 4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.803 21.236 5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.609 22.006 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.594 23.949 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.320 23.026 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.009 22.902 1.475 1.00 0.00 H new ATOM 269 N PRO A 17 -4.403 19.257 -0.234 1.00 0.00 N ATOM 270 CA PRO A 17 -3.671 18.249 -1.007 1.00 0.00 C ATOM 271 C PRO A 17 -2.827 17.326 -0.113 1.00 0.00 C ATOM 272 O PRO A 17 -2.007 17.793 0.683 1.00 0.00 O ATOM 273 CB PRO A 17 -2.800 19.046 -1.988 1.00 0.00 C ATOM 274 CG PRO A 17 -2.626 20.408 -1.329 1.00 0.00 C ATOM 275 CD PRO A 17 -3.946 20.595 -0.594 1.00 0.00 C ATOM 0 HA PRO A 17 -4.354 17.578 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.839 18.559 -2.151 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.281 19.136 -2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.777 20.422 -0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.457 21.195 -2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.813 21.213 0.294 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.676 21.099 -1.227 1.00 0.00 H new ATOM 283 N ILE A 18 -2.979 16.006 -0.276 1.00 0.00 N ATOM 284 CA ILE A 18 -2.202 14.992 0.465 1.00 0.00 C ATOM 285 C ILE A 18 -0.689 15.156 0.298 1.00 0.00 C ATOM 286 O ILE A 18 0.066 14.967 1.253 1.00 0.00 O ATOM 287 CB ILE A 18 -2.642 13.563 0.083 1.00 0.00 C ATOM 288 CG1 ILE A 18 -1.968 12.532 1.014 1.00 0.00 C ATOM 289 CG2 ILE A 18 -2.379 13.222 -1.392 1.00 0.00 C ATOM 290 CD1 ILE A 18 -2.636 11.156 0.960 1.00 0.00 C ATOM 0 H ILE A 18 -3.650 15.603 -0.931 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.420 15.155 1.521 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.723 13.519 0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.918 12.432 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.994 12.903 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.711 12.204 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.927 13.916 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.312 13.304 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.119 10.474 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.679 11.246 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.586 10.767 -0.057 1.00 0.00 H new ATOM 302 N GLY A 19 -0.236 15.563 -0.890 1.00 0.00 N ATOM 303 CA GLY A 19 1.191 15.700 -1.167 1.00 0.00 C ATOM 304 C GLY A 19 1.864 16.772 -0.318 1.00 0.00 C ATOM 305 O GLY A 19 2.991 16.572 0.129 1.00 0.00 O ATOM 0 H GLY A 19 -0.840 15.803 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.683 14.743 -0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.329 15.940 -2.221 1.00 0.00 H new ATOM 309 N LYS A 20 1.154 17.862 0.006 1.00 0.00 N ATOM 310 CA LYS A 20 1.654 18.909 0.906 1.00 0.00 C ATOM 311 C LYS A 20 1.759 18.414 2.352 1.00 0.00 C ATOM 312 O LYS A 20 2.696 18.774 3.060 1.00 0.00 O ATOM 313 CB LYS A 20 0.751 20.147 0.788 1.00 0.00 C ATOM 314 CG LYS A 20 1.290 21.351 1.575 1.00 0.00 C ATOM 315 CD LYS A 20 0.467 22.611 1.265 1.00 0.00 C ATOM 316 CE LYS A 20 0.837 23.804 2.161 1.00 0.00 C ATOM 317 NZ LYS A 20 2.225 24.291 1.930 1.00 0.00 N ATOM 0 H LYS A 20 0.215 18.042 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 20 2.666 19.181 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.651 20.420 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.247 19.899 1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.253 21.140 2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.336 21.521 1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.615 22.888 0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.592 22.386 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.136 24.619 1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.728 23.515 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.420 25.095 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.899 23.524 2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.326 24.594 0.940 1.00 0.00 H new ATOM 331 N ILE A 21 0.835 17.549 2.780 1.00 0.00 N ATOM 332 CA ILE A 21 0.829 16.968 4.129 1.00 0.00 C ATOM 333 C ILE A 21 1.995 15.998 4.293 1.00 0.00 C ATOM 334 O ILE A 21 2.651 16.018 5.328 1.00 0.00 O ATOM 335 CB ILE A 21 -0.527 16.289 4.439 1.00 0.00 C ATOM 336 CG1 ILE A 21 -1.670 17.332 4.497 1.00 0.00 C ATOM 337 CG2 ILE A 21 -0.508 15.475 5.746 1.00 0.00 C ATOM 338 CD1 ILE A 21 -3.058 16.719 4.270 1.00 0.00 C ATOM 0 H ILE A 21 0.063 17.228 2.196 1.00 0.00 H new ATOM 0 HA ILE A 21 0.957 17.773 4.853 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.706 15.592 3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.653 17.827 5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.491 18.100 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.487 15.024 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.246 14.691 5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.269 16.133 6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.815 17.502 4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.091 16.248 3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.255 15.971 5.038 1.00 0.00 H new ATOM 350 N VAL A 22 2.296 15.179 3.285 1.00 0.00 N ATOM 351 CA VAL A 22 3.393 14.201 3.346 1.00 0.00 C ATOM 352 C VAL A 22 4.761 14.843 3.111 1.00 0.00 C ATOM 353 O VAL A 22 5.711 14.511 3.818 1.00 0.00 O ATOM 354 CB VAL A 22 3.129 13.055 2.357 1.00 0.00 C ATOM 355 CG1 VAL A 22 4.250 12.011 2.334 1.00 0.00 C ATOM 356 CG2 VAL A 22 1.837 12.325 2.751 1.00 0.00 C ATOM 0 H VAL A 22 1.788 15.172 2.400 1.00 0.00 H new ATOM 0 HA VAL A 22 3.421 13.793 4.356 1.00 0.00 H new ATOM 0 HB VAL A 22 3.060 13.513 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.004 11.229 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.186 12.488 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.359 11.572 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.650 11.512 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.941 11.919 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.002 13.025 2.727 1.00 0.00 H new ATOM 366 N GLU A 23 4.886 15.798 2.181 1.00 0.00 N ATOM 367 CA GLU A 23 6.177 16.431 1.879 1.00 0.00 C ATOM 368 C GLU A 23 6.649 17.399 2.978 1.00 0.00 C ATOM 369 O GLU A 23 7.853 17.630 3.124 1.00 0.00 O ATOM 370 CB GLU A 23 6.141 17.110 0.501 1.00 0.00 C ATOM 371 CG GLU A 23 5.539 18.521 0.502 1.00 0.00 C ATOM 372 CD GLU A 23 5.312 19.133 -0.896 1.00 0.00 C ATOM 373 OE1 GLU A 23 5.707 18.543 -1.933 1.00 0.00 O ATOM 374 OE2 GLU A 23 4.769 20.263 -0.966 1.00 0.00 O ATOM 0 H GLU A 23 4.108 16.150 1.624 1.00 0.00 H new ATOM 0 HA GLU A 23 6.919 15.633 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.157 17.163 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.568 16.485 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.585 18.493 1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.197 19.180 1.068 1.00 0.00 H new ATOM 381 N LYS A 24 5.706 17.928 3.777 1.00 0.00 N ATOM 382 CA LYS A 24 5.972 18.807 4.933 1.00 0.00 C ATOM 383 C LYS A 24 5.650 18.133 6.275 1.00 0.00 C ATOM 384 O LYS A 24 5.785 18.777 7.319 1.00 0.00 O ATOM 385 CB LYS A 24 5.211 20.140 4.783 1.00 0.00 C ATOM 386 CG LYS A 24 5.445 20.897 3.469 1.00 0.00 C ATOM 387 CD LYS A 24 6.896 21.293 3.146 1.00 0.00 C ATOM 388 CE LYS A 24 7.501 22.334 4.104 1.00 0.00 C ATOM 389 NZ LYS A 24 8.185 21.727 5.282 1.00 0.00 N ATOM 0 H LYS A 24 4.711 17.752 3.634 1.00 0.00 H new ATOM 0 HA LYS A 24 7.042 19.013 4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.144 19.941 4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.491 20.792 5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.071 20.282 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.841 21.804 3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.517 20.397 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.934 21.687 2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.214 22.950 3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.710 22.998 4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.893 22.393 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.484 21.519 6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.656 20.846 4.994 1.00 0.00 H new ATOM 403 N ARG A 25 5.263 16.847 6.253 1.00 0.00 N ATOM 404 CA ARG A 25 4.945 16.013 7.439 1.00 0.00 C ATOM 405 C ARG A 25 3.954 16.703 8.403 1.00 0.00 C ATOM 406 O ARG A 25 4.187 16.774 9.612 1.00 0.00 O ATOM 407 CB ARG A 25 6.268 15.580 8.110 1.00 0.00 C ATOM 408 CG ARG A 25 7.094 14.608 7.246 1.00 0.00 C ATOM 409 CD ARG A 25 6.798 13.163 7.647 1.00 0.00 C ATOM 410 NE ARG A 25 7.502 12.191 6.786 1.00 0.00 N ATOM 411 CZ ARG A 25 7.837 10.948 7.098 1.00 0.00 C ATOM 412 NH1 ARG A 25 7.645 10.448 8.289 1.00 0.00 N ATOM 413 NH2 ARG A 25 8.376 10.168 6.207 1.00 0.00 N ATOM 0 H ARG A 25 5.157 16.334 5.378 1.00 0.00 H new ATOM 0 HA ARG A 25 4.416 15.115 7.120 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.867 16.465 8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.046 15.107 9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.858 14.756 6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.157 14.816 7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.093 13.008 8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.724 12.985 7.591 1.00 0.00 H new ATOM 0 HE ARG A 25 7.757 12.511 5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.223 11.020 9.020 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.917 9.485 8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.543 10.513 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.632 9.212 6.454 1.00 0.00 H new ATOM 427 N ILE A 26 2.881 17.285 7.853 1.00 0.00 N ATOM 428 CA ILE A 26 1.925 18.121 8.600 1.00 0.00 C ATOM 429 C ILE A 26 1.058 17.227 9.496 1.00 0.00 C ATOM 430 O ILE A 26 0.448 16.267 9.024 1.00 0.00 O ATOM 431 CB ILE A 26 1.057 18.979 7.643 1.00 0.00 C ATOM 432 CG1 ILE A 26 1.965 19.913 6.809 1.00 0.00 C ATOM 433 CG2 ILE A 26 0.013 19.812 8.412 1.00 0.00 C ATOM 434 CD1 ILE A 26 1.259 20.682 5.685 1.00 0.00 C ATOM 0 H ILE A 26 2.647 17.189 6.865 1.00 0.00 H new ATOM 0 HA ILE A 26 2.480 18.817 9.229 1.00 0.00 H new ATOM 0 HB ILE A 26 0.519 18.301 6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.433 20.633 7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.766 19.318 6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.575 20.399 7.707 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.647 19.145 8.968 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.521 20.481 9.106 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.983 21.307 5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.815 19.975 4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.477 21.311 6.110 1.00 0.00 H new ATOM 446 N GLU A 27 0.982 17.548 10.789 1.00 0.00 N ATOM 447 CA GLU A 27 0.044 16.897 11.707 1.00 0.00 C ATOM 448 C GLU A 27 -1.366 17.479 11.530 1.00 0.00 C ATOM 449 O GLU A 27 -1.630 18.638 11.866 1.00 0.00 O ATOM 450 CB GLU A 27 0.504 16.998 13.169 1.00 0.00 C ATOM 451 CG GLU A 27 1.906 16.416 13.401 1.00 0.00 C ATOM 452 CD GLU A 27 2.244 16.355 14.900 1.00 0.00 C ATOM 453 OE1 GLU A 27 1.908 15.343 15.564 1.00 0.00 O ATOM 454 OE2 GLU A 27 2.858 17.314 15.433 1.00 0.00 O ATOM 0 H GLU A 27 1.564 18.261 11.227 1.00 0.00 H new ATOM 0 HA GLU A 27 0.018 15.836 11.457 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.496 18.044 13.475 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.210 16.475 13.805 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.962 15.415 12.972 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.646 17.027 12.884 1.00 0.00 H new ATOM 461 N CYS A 28 -2.271 16.660 10.996 1.00 0.00 N ATOM 462 CA CYS A 28 -3.684 16.985 10.781 1.00 0.00 C ATOM 463 C CYS A 28 -4.593 15.837 11.257 1.00 0.00 C ATOM 464 O CYS A 28 -4.130 14.869 11.864 1.00 0.00 O ATOM 465 CB CYS A 28 -3.901 17.386 9.303 1.00 0.00 C ATOM 466 SG CYS A 28 -3.550 16.019 8.156 1.00 0.00 S ATOM 0 H CYS A 28 -2.033 15.717 10.689 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.967 17.845 11.388 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.931 17.716 9.166 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.260 18.234 9.061 1.00 0.00 H new ATOM 0 HG CYS A 28 -4.134 16.247 7.017 1.00 0.00 H new ATOM 472 N THR A 29 -5.892 15.938 10.976 1.00 0.00 N ATOM 473 CA THR A 29 -6.933 14.961 11.352 1.00 0.00 C ATOM 474 C THR A 29 -7.675 14.509 10.091 1.00 0.00 C ATOM 475 O THR A 29 -7.706 15.254 9.119 1.00 0.00 O ATOM 476 CB THR A 29 -7.944 15.591 12.334 1.00 0.00 C ATOM 477 OG1 THR A 29 -7.402 16.667 13.069 1.00 0.00 O ATOM 478 CG2 THR A 29 -8.519 14.620 13.361 1.00 0.00 C ATOM 0 H THR A 29 -6.271 16.732 10.460 1.00 0.00 H new ATOM 0 HA THR A 29 -6.456 14.110 11.838 1.00 0.00 H new ATOM 0 HB THR A 29 -8.737 15.929 11.666 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.085 17.028 13.672 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.219 15.148 14.009 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.039 13.812 12.846 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.710 14.205 13.963 1.00 0.00 H new ATOM 486 N VAL A 30 -8.312 13.338 10.095 1.00 0.00 N ATOM 487 CA VAL A 30 -9.086 12.799 8.955 1.00 0.00 C ATOM 488 C VAL A 30 -10.369 12.112 9.437 1.00 0.00 C ATOM 489 O VAL A 30 -10.476 11.768 10.616 1.00 0.00 O ATOM 490 CB VAL A 30 -8.245 11.830 8.088 1.00 0.00 C ATOM 491 CG1 VAL A 30 -6.996 12.501 7.506 1.00 0.00 C ATOM 492 CG2 VAL A 30 -7.810 10.564 8.839 1.00 0.00 C ATOM 0 H VAL A 30 -8.310 12.717 10.904 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.360 13.647 8.328 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.916 11.541 7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.441 11.779 6.906 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.293 13.341 6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.364 12.860 8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.225 9.929 8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.204 10.843 9.701 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.692 10.020 9.176 1.00 0.00 H new ATOM 502 N TYR A 31 -11.318 11.882 8.526 1.00 0.00 N ATOM 503 CA TYR A 31 -12.595 11.204 8.786 1.00 0.00 C ATOM 504 C TYR A 31 -12.564 9.773 8.233 1.00 0.00 C ATOM 505 O TYR A 31 -12.040 9.539 7.142 1.00 0.00 O ATOM 506 CB TYR A 31 -13.761 11.976 8.145 1.00 0.00 C ATOM 507 CG TYR A 31 -14.104 13.299 8.807 1.00 0.00 C ATOM 508 CD1 TYR A 31 -13.434 14.486 8.445 1.00 0.00 C ATOM 509 CD2 TYR A 31 -15.132 13.341 9.768 1.00 0.00 C ATOM 510 CE1 TYR A 31 -13.784 15.707 9.059 1.00 0.00 C ATOM 511 CE2 TYR A 31 -15.507 14.563 10.359 1.00 0.00 C ATOM 512 CZ TYR A 31 -14.833 15.749 10.006 1.00 0.00 C ATOM 513 OH TYR A 31 -15.211 16.929 10.571 1.00 0.00 O ATOM 0 H TYR A 31 -11.217 12.172 7.553 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.744 11.169 9.865 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -13.519 12.164 7.099 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.647 11.341 8.159 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -12.654 14.460 7.699 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.636 12.430 10.054 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -13.250 16.611 8.805 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -16.309 14.591 11.081 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.947 16.770 11.198 1.00 0.00 H new ATOM 523 N SER A 32 -13.131 8.822 8.975 1.00 0.00 N ATOM 524 CA SER A 32 -13.130 7.384 8.665 1.00 0.00 C ATOM 525 C SER A 32 -14.265 6.670 9.416 1.00 0.00 C ATOM 526 O SER A 32 -14.638 7.111 10.499 1.00 0.00 O ATOM 527 CB SER A 32 -11.776 6.819 9.111 1.00 0.00 C ATOM 528 OG SER A 32 -11.776 5.405 9.117 1.00 0.00 O ATOM 0 H SER A 32 -13.623 9.035 9.842 1.00 0.00 H new ATOM 0 HA SER A 32 -13.285 7.228 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.993 7.180 8.444 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.539 7.187 10.109 1.00 0.00 H new ATOM 0 HG SER A 32 -11.590 5.074 8.213 1.00 0.00 H new ATOM 534 N VAL A 33 -14.817 5.571 8.884 1.00 0.00 N ATOM 535 CA VAL A 33 -15.777 4.730 9.632 1.00 0.00 C ATOM 536 C VAL A 33 -15.092 3.719 10.554 1.00 0.00 C ATOM 537 O VAL A 33 -14.024 3.182 10.249 1.00 0.00 O ATOM 538 CB VAL A 33 -16.761 3.954 8.739 1.00 0.00 C ATOM 539 CG1 VAL A 33 -17.729 4.896 8.039 1.00 0.00 C ATOM 540 CG2 VAL A 33 -16.081 3.084 7.689 1.00 0.00 C ATOM 0 H VAL A 33 -14.619 5.239 7.940 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.335 5.458 10.222 1.00 0.00 H new ATOM 0 HB VAL A 33 -17.298 3.293 9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.412 4.319 7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -18.299 5.451 8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -17.171 5.594 7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -16.838 2.568 7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -15.475 3.710 7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.443 2.350 8.182 1.00 0.00 H new ATOM 550 N ASP A 34 -15.751 3.418 11.673 1.00 0.00 N ATOM 551 CA ASP A 34 -15.383 2.313 12.566 1.00 0.00 C ATOM 552 C ASP A 34 -15.975 0.973 12.078 1.00 0.00 C ATOM 553 O ASP A 34 -16.711 0.910 11.087 1.00 0.00 O ATOM 554 CB ASP A 34 -15.816 2.646 14.007 1.00 0.00 C ATOM 555 CG ASP A 34 -14.911 1.955 15.041 1.00 0.00 C ATOM 556 OD1 ASP A 34 -13.823 2.488 15.359 1.00 0.00 O ATOM 557 OD2 ASP A 34 -15.277 0.850 15.504 1.00 0.00 O ATOM 0 H ASP A 34 -16.567 3.941 11.991 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.300 2.193 12.554 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.784 3.725 14.157 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.849 2.333 14.159 1.00 0.00 H new ATOM 562 N ASN A 35 -15.706 -0.105 12.816 1.00 0.00 N ATOM 563 CA ASN A 35 -16.255 -1.450 12.574 1.00 0.00 C ATOM 564 C ASN A 35 -17.798 -1.498 12.661 1.00 0.00 C ATOM 565 O ASN A 35 -18.429 -2.405 12.112 1.00 0.00 O ATOM 566 CB ASN A 35 -15.635 -2.439 13.583 1.00 0.00 C ATOM 567 CG ASN A 35 -14.155 -2.726 13.372 1.00 0.00 C ATOM 568 OD1 ASN A 35 -13.544 -2.398 12.361 1.00 0.00 O ATOM 569 ND2 ASN A 35 -13.523 -3.374 14.327 1.00 0.00 N ATOM 0 H ASN A 35 -15.083 -0.071 13.623 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.994 -1.731 11.554 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.774 -2.044 14.589 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -16.184 -3.380 13.532 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.534 -3.599 14.222 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.022 -3.651 15.172 1.00 0.00 H new ATOM 576 N ASN A 36 -18.405 -0.511 13.332 1.00 0.00 N ATOM 577 CA ASN A 36 -19.851 -0.365 13.514 1.00 0.00 C ATOM 578 C ASN A 36 -20.521 0.499 12.419 1.00 0.00 C ATOM 579 O ASN A 36 -21.729 0.742 12.488 1.00 0.00 O ATOM 580 CB ASN A 36 -20.090 0.218 14.922 1.00 0.00 C ATOM 581 CG ASN A 36 -19.614 -0.713 16.029 1.00 0.00 C ATOM 582 OD1 ASN A 36 -20.070 -1.842 16.165 1.00 0.00 O ATOM 583 ND2 ASN A 36 -18.689 -0.280 16.858 1.00 0.00 N ATOM 0 H ASN A 36 -17.878 0.238 13.781 1.00 0.00 H new ATOM 0 HA ASN A 36 -20.319 -1.345 13.419 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -19.573 1.174 15.008 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -21.153 0.418 15.053 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -18.355 -0.883 17.609 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -18.306 0.659 16.749 1.00 0.00 H new ATOM 590 N GLY A 37 -19.766 1.009 11.433 1.00 0.00 N ATOM 591 CA GLY A 37 -20.294 1.873 10.362 1.00 0.00 C ATOM 592 C GLY A 37 -20.573 3.320 10.799 1.00 0.00 C ATOM 593 O GLY A 37 -21.439 3.986 10.229 1.00 0.00 O ATOM 0 H GLY A 37 -18.764 0.833 11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -19.582 1.886 9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.217 1.436 9.980 1.00 0.00 H new ATOM 597 N ASN A 38 -19.856 3.802 11.821 1.00 0.00 N ATOM 598 CA ASN A 38 -19.972 5.152 12.385 1.00 0.00 C ATOM 599 C ASN A 38 -18.743 5.973 11.985 1.00 0.00 C ATOM 600 O ASN A 38 -17.619 5.595 12.319 1.00 0.00 O ATOM 601 CB ASN A 38 -20.068 5.064 13.922 1.00 0.00 C ATOM 602 CG ASN A 38 -21.453 4.693 14.419 1.00 0.00 C ATOM 603 OD1 ASN A 38 -22.213 5.528 14.893 1.00 0.00 O ATOM 604 ND2 ASN A 38 -21.833 3.438 14.332 1.00 0.00 N ATOM 0 H ASN A 38 -19.151 3.239 12.297 1.00 0.00 H new ATOM 0 HA ASN A 38 -20.870 5.635 12.000 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.351 4.326 14.282 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.781 6.023 14.352 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.759 3.162 14.659 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.202 2.740 13.938 1.00 0.00 H new ATOM 611 N ILE A 39 -18.944 7.086 11.274 1.00 0.00 N ATOM 612 CA ILE A 39 -17.881 8.037 10.939 1.00 0.00 C ATOM 613 C ILE A 39 -17.357 8.691 12.225 1.00 0.00 C ATOM 614 O ILE A 39 -18.118 9.283 12.999 1.00 0.00 O ATOM 615 CB ILE A 39 -18.372 9.085 9.917 1.00 0.00 C ATOM 616 CG1 ILE A 39 -18.780 8.404 8.588 1.00 0.00 C ATOM 617 CG2 ILE A 39 -17.254 10.113 9.639 1.00 0.00 C ATOM 618 CD1 ILE A 39 -19.664 9.290 7.713 1.00 0.00 C ATOM 0 H ILE A 39 -19.859 7.355 10.911 1.00 0.00 H new ATOM 0 HA ILE A 39 -17.058 7.503 10.465 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.241 9.591 10.338 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.881 8.135 8.033 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -19.309 7.477 8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.608 10.849 8.917 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.983 10.616 10.567 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.380 9.600 9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.917 8.759 6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.578 9.538 8.253 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.129 10.207 7.465 1.00 0.00 H new ATOM 630 N TYR A 40 -16.046 8.609 12.417 1.00 0.00 N ATOM 631 CA TYR A 40 -15.282 9.256 13.489 1.00 0.00 C ATOM 632 C TYR A 40 -14.074 10.036 12.928 1.00 0.00 C ATOM 633 O TYR A 40 -13.764 9.951 11.735 1.00 0.00 O ATOM 634 CB TYR A 40 -14.869 8.198 14.529 1.00 0.00 C ATOM 635 CG TYR A 40 -13.787 7.232 14.067 1.00 0.00 C ATOM 636 CD1 TYR A 40 -12.428 7.571 14.233 1.00 0.00 C ATOM 637 CD2 TYR A 40 -14.127 5.997 13.474 1.00 0.00 C ATOM 638 CE1 TYR A 40 -11.422 6.717 13.750 1.00 0.00 C ATOM 639 CE2 TYR A 40 -13.113 5.139 13.009 1.00 0.00 C ATOM 640 CZ TYR A 40 -11.762 5.509 13.120 1.00 0.00 C ATOM 641 OH TYR A 40 -10.784 4.698 12.645 1.00 0.00 O ATOM 0 H TYR A 40 -15.450 8.060 11.797 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.911 9.995 13.986 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.520 8.709 15.426 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.751 7.624 14.812 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -12.160 8.490 14.733 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -15.164 5.711 13.377 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -10.383 6.991 13.864 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.375 4.190 12.564 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.934 5.186 12.627 1.00 0.00 H new ATOM 651 N THR A 41 -13.378 10.788 13.788 1.00 0.00 N ATOM 652 CA THR A 41 -12.183 11.584 13.441 1.00 0.00 C ATOM 653 C THR A 41 -10.931 11.112 14.185 1.00 0.00 C ATOM 654 O THR A 41 -10.993 10.736 15.359 1.00 0.00 O ATOM 655 CB THR A 41 -12.390 13.087 13.703 1.00 0.00 C ATOM 656 OG1 THR A 41 -12.973 13.322 14.972 1.00 0.00 O ATOM 657 CG2 THR A 41 -13.292 13.711 12.646 1.00 0.00 C ATOM 0 H THR A 41 -13.633 10.866 14.773 1.00 0.00 H new ATOM 0 HA THR A 41 -12.032 11.429 12.373 1.00 0.00 H new ATOM 0 HB THR A 41 -11.401 13.543 13.667 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.088 14.286 15.106 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.420 14.773 12.857 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.838 13.589 11.662 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.264 13.219 12.661 1.00 0.00 H new ATOM 665 N GLN A 42 -9.782 11.138 13.501 1.00 0.00 N ATOM 666 CA GLN A 42 -8.495 10.652 14.024 1.00 0.00 C ATOM 667 C GLN A 42 -7.293 11.458 13.499 1.00 0.00 C ATOM 668 O GLN A 42 -7.303 11.851 12.331 1.00 0.00 O ATOM 669 CB GLN A 42 -8.332 9.165 13.665 1.00 0.00 C ATOM 670 CG GLN A 42 -8.329 8.856 12.149 1.00 0.00 C ATOM 671 CD GLN A 42 -8.309 7.359 11.834 1.00 0.00 C ATOM 672 OE1 GLN A 42 -7.999 6.515 12.661 1.00 0.00 O ATOM 673 NE2 GLN A 42 -8.620 6.971 10.615 1.00 0.00 N ATOM 0 H GLN A 42 -9.716 11.504 12.551 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.509 10.783 15.106 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.399 8.803 14.096 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.140 8.603 14.134 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.212 9.304 11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.459 9.328 11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.881 7.661 9.911 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.600 5.980 10.374 1.00 0.00 H new ATOM 682 N PRO A 43 -6.253 11.710 14.318 1.00 0.00 N ATOM 683 CA PRO A 43 -5.033 12.386 13.876 1.00 0.00 C ATOM 684 C PRO A 43 -4.158 11.472 13.001 1.00 0.00 C ATOM 685 O PRO A 43 -4.195 10.248 13.140 1.00 0.00 O ATOM 686 CB PRO A 43 -4.304 12.778 15.164 1.00 0.00 C ATOM 687 CG PRO A 43 -4.724 11.692 16.152 1.00 0.00 C ATOM 688 CD PRO A 43 -6.156 11.366 15.733 1.00 0.00 C ATOM 0 HA PRO A 43 -5.261 13.252 13.254 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.223 12.798 15.024 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.599 13.770 15.507 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.077 10.817 16.086 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.677 12.046 17.182 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.378 10.311 15.894 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.874 11.936 16.323 1.00 0.00 H new ATOM 696 N VAL A 44 -3.331 12.053 12.127 1.00 0.00 N ATOM 697 CA VAL A 44 -2.278 11.314 11.398 1.00 0.00 C ATOM 698 C VAL A 44 -1.262 10.731 12.389 1.00 0.00 C ATOM 699 O VAL A 44 -0.876 11.405 13.350 1.00 0.00 O ATOM 700 CB VAL A 44 -1.544 12.222 10.385 1.00 0.00 C ATOM 701 CG1 VAL A 44 -0.495 11.441 9.588 1.00 0.00 C ATOM 702 CG2 VAL A 44 -2.510 12.852 9.377 1.00 0.00 C ATOM 0 H VAL A 44 -3.367 13.047 11.900 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.762 10.508 10.847 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.066 13.001 10.979 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.001 12.111 8.886 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.243 11.021 10.272 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.981 10.635 9.039 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.953 13.482 8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.021 12.065 8.822 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.245 13.458 9.907 1.00 0.00 H new ATOM 712 N ALA A 45 -0.787 9.506 12.134 1.00 0.00 N ATOM 713 CA ALA A 45 0.311 8.895 12.889 1.00 0.00 C ATOM 714 C ALA A 45 1.602 8.798 12.063 1.00 0.00 C ATOM 715 O ALA A 45 2.680 9.078 12.592 1.00 0.00 O ATOM 716 CB ALA A 45 -0.122 7.509 13.373 1.00 0.00 C ATOM 0 H ALA A 45 -1.156 8.909 11.394 1.00 0.00 H new ATOM 0 HA ALA A 45 0.533 9.535 13.743 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.691 7.050 13.935 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.998 7.605 14.014 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.368 6.884 12.514 1.00 0.00 H new ATOM 722 N GLN A 46 1.499 8.437 10.776 1.00 0.00 N ATOM 723 CA GLN A 46 2.633 8.304 9.856 1.00 0.00 C ATOM 724 C GLN A 46 2.327 8.882 8.466 1.00 0.00 C ATOM 725 O GLN A 46 1.176 9.075 8.069 1.00 0.00 O ATOM 726 CB GLN A 46 3.060 6.831 9.699 1.00 0.00 C ATOM 727 CG GLN A 46 3.356 6.062 10.993 1.00 0.00 C ATOM 728 CD GLN A 46 4.445 6.660 11.888 1.00 0.00 C ATOM 729 OE1 GLN A 46 5.363 7.347 11.454 1.00 0.00 O ATOM 730 NE2 GLN A 46 4.397 6.396 13.181 1.00 0.00 N ATOM 0 H GLN A 46 0.603 8.225 10.337 1.00 0.00 H new ATOM 0 HA GLN A 46 3.448 8.876 10.300 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.273 6.303 9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.951 6.799 9.072 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.435 5.992 11.571 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.646 5.044 10.731 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.640 5.826 13.557 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.117 6.762 13.803 1.00 0.00 H new ATOM 739 N TRP A 47 3.401 9.083 7.708 1.00 0.00 N ATOM 740 CA TRP A 47 3.423 9.710 6.383 1.00 0.00 C ATOM 741 C TRP A 47 4.291 8.849 5.455 1.00 0.00 C ATOM 742 O TRP A 47 5.404 8.457 5.817 1.00 0.00 O ATOM 743 CB TRP A 47 3.995 11.134 6.506 1.00 0.00 C ATOM 744 CG TRP A 47 3.228 12.113 7.348 1.00 0.00 C ATOM 745 CD1 TRP A 47 2.352 13.048 6.907 1.00 0.00 C ATOM 746 CD2 TRP A 47 3.289 12.286 8.798 1.00 0.00 C ATOM 747 NE1 TRP A 47 1.878 13.787 7.972 1.00 0.00 N ATOM 748 CE2 TRP A 47 2.398 13.338 9.165 1.00 0.00 C ATOM 749 CE3 TRP A 47 4.005 11.659 9.843 1.00 0.00 C ATOM 750 CZ2 TRP A 47 2.189 13.711 10.497 1.00 0.00 C ATOM 751 CZ3 TRP A 47 3.797 12.024 11.188 1.00 0.00 C ATOM 752 CH2 TRP A 47 2.879 13.038 11.517 1.00 0.00 C ATOM 0 H TRP A 47 4.331 8.799 8.015 1.00 0.00 H new ATOM 0 HA TRP A 47 2.417 9.779 5.969 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.004 11.059 6.911 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.085 11.550 5.502 1.00 0.00 H new ATOM 0 HD1 TRP A 47 2.067 13.193 5.875 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.226 14.566 7.886 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.723 10.888 9.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.503 14.510 10.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.346 11.522 11.971 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.706 13.298 12.551 1.00 0.00 H new ATOM 763 N HIS A 48 3.770 8.544 4.268 1.00 0.00 N ATOM 764 CA HIS A 48 4.339 7.578 3.322 1.00 0.00 C ATOM 765 C HIS A 48 4.516 8.205 1.926 1.00 0.00 C ATOM 766 O HIS A 48 3.586 8.782 1.366 1.00 0.00 O ATOM 767 CB HIS A 48 3.401 6.357 3.263 1.00 0.00 C ATOM 768 CG HIS A 48 3.093 5.725 4.601 1.00 0.00 C ATOM 769 ND1 HIS A 48 3.963 5.020 5.406 1.00 0.00 N ATOM 770 CD2 HIS A 48 1.879 5.731 5.234 1.00 0.00 C ATOM 771 CE1 HIS A 48 3.288 4.616 6.497 1.00 0.00 C ATOM 772 NE2 HIS A 48 2.010 5.032 6.442 1.00 0.00 N ATOM 0 H HIS A 48 2.912 8.975 3.924 1.00 0.00 H new ATOM 0 HA HIS A 48 5.329 7.271 3.658 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.464 6.660 2.796 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.850 5.603 2.616 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.947 4.837 5.208 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.976 6.195 4.866 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.713 4.038 7.305 1.00 0.00 H new ATOM 780 N ASP A 49 5.693 8.064 1.315 1.00 0.00 N ATOM 781 CA ASP A 49 6.065 8.758 0.079 1.00 0.00 C ATOM 782 C ASP A 49 6.833 7.859 -0.889 1.00 0.00 C ATOM 783 O ASP A 49 7.714 7.085 -0.502 1.00 0.00 O ATOM 784 CB ASP A 49 6.858 10.039 0.389 1.00 0.00 C ATOM 785 CG ASP A 49 8.126 9.821 1.235 1.00 0.00 C ATOM 786 OD1 ASP A 49 8.036 9.802 2.489 1.00 0.00 O ATOM 787 OD2 ASP A 49 9.235 9.725 0.654 1.00 0.00 O ATOM 0 H ASP A 49 6.429 7.453 1.671 1.00 0.00 H new ATOM 0 HA ASP A 49 5.137 9.036 -0.421 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.142 10.511 -0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.204 10.737 0.912 1.00 0.00 H new ATOM 792 N ARG A 50 6.444 7.968 -2.165 1.00 0.00 N ATOM 793 CA ARG A 50 6.857 7.039 -3.233 1.00 0.00 C ATOM 794 C ARG A 50 7.793 7.648 -4.282 1.00 0.00 C ATOM 795 O ARG A 50 8.646 6.948 -4.831 1.00 0.00 O ATOM 796 CB ARG A 50 5.585 6.525 -3.917 1.00 0.00 C ATOM 797 CG ARG A 50 4.515 5.956 -2.958 1.00 0.00 C ATOM 798 CD ARG A 50 5.017 4.730 -2.186 1.00 0.00 C ATOM 799 NE ARG A 50 5.257 4.962 -0.750 1.00 0.00 N ATOM 800 CZ ARG A 50 5.979 4.173 0.034 1.00 0.00 C ATOM 801 NH1 ARG A 50 6.602 3.119 -0.414 1.00 0.00 N ATOM 802 NH2 ARG A 50 6.083 4.411 1.309 1.00 0.00 N ATOM 0 H ARG A 50 5.827 8.711 -2.492 1.00 0.00 H new ATOM 0 HA ARG A 50 7.432 6.241 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.143 7.341 -4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.862 5.749 -4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.216 6.730 -2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.627 5.685 -3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.288 3.927 -2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.943 4.384 -2.644 1.00 0.00 H new ATOM 0 HE ARG A 50 4.837 5.790 -0.329 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.545 2.874 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.147 2.539 0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.605 5.214 1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.642 3.795 1.899 1.00 0.00 H new ATOM 816 N GLY A 51 7.627 8.939 -4.565 1.00 0.00 N ATOM 817 CA GLY A 51 8.481 9.728 -5.463 1.00 0.00 C ATOM 818 C GLY A 51 7.992 9.772 -6.916 1.00 0.00 C ATOM 819 O GLY A 51 7.702 10.848 -7.433 1.00 0.00 O ATOM 0 H GLY A 51 6.867 9.488 -4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.546 10.747 -5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.490 9.315 -5.443 1.00 0.00 H new ATOM 823 N GLU A 52 7.894 8.621 -7.587 1.00 0.00 N ATOM 824 CA GLU A 52 7.639 8.494 -9.032 1.00 0.00 C ATOM 825 C GLU A 52 7.040 7.129 -9.409 1.00 0.00 C ATOM 826 O GLU A 52 7.751 6.143 -9.629 1.00 0.00 O ATOM 827 CB GLU A 52 8.942 8.641 -9.826 1.00 0.00 C ATOM 828 CG GLU A 52 9.635 9.999 -9.729 1.00 0.00 C ATOM 829 CD GLU A 52 10.619 10.170 -8.545 1.00 0.00 C ATOM 830 OE1 GLU A 52 11.213 9.175 -8.060 1.00 0.00 O ATOM 831 OE2 GLU A 52 10.862 11.327 -8.122 1.00 0.00 O ATOM 0 H GLU A 52 7.993 7.717 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 52 6.929 9.284 -9.276 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.639 7.874 -9.487 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.730 8.438 -10.876 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.179 10.176 -10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.870 10.772 -9.656 1.00 0.00 H new ATOM 838 N GLN A 53 5.717 7.089 -9.526 1.00 0.00 N ATOM 839 CA GLN A 53 4.962 5.938 -10.055 1.00 0.00 C ATOM 840 C GLN A 53 3.947 6.323 -11.144 1.00 0.00 C ATOM 841 O GLN A 53 3.581 7.486 -11.298 1.00 0.00 O ATOM 842 CB GLN A 53 4.273 5.198 -8.900 1.00 0.00 C ATOM 843 CG GLN A 53 5.289 4.833 -7.814 1.00 0.00 C ATOM 844 CD GLN A 53 4.814 3.774 -6.836 1.00 0.00 C ATOM 845 OE1 GLN A 53 5.349 2.674 -6.766 1.00 0.00 O ATOM 846 NE2 GLN A 53 3.917 4.112 -5.934 1.00 0.00 N ATOM 0 H GLN A 53 5.119 7.868 -9.252 1.00 0.00 H new ATOM 0 HA GLN A 53 5.681 5.277 -10.540 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.488 5.824 -8.476 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.792 4.294 -9.275 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.203 4.483 -8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.546 5.734 -7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.465 5.025 -5.982 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.674 3.461 -5.187 1.00 0.00 H new ATOM 855 N GLU A 54 3.505 5.328 -11.916 1.00 0.00 N ATOM 856 CA GLU A 54 2.527 5.466 -13.004 1.00 0.00 C ATOM 857 C GLU A 54 1.108 5.789 -12.487 1.00 0.00 C ATOM 858 O GLU A 54 0.420 4.937 -11.917 1.00 0.00 O ATOM 859 CB GLU A 54 2.581 4.217 -13.911 1.00 0.00 C ATOM 860 CG GLU A 54 2.382 2.855 -13.222 1.00 0.00 C ATOM 861 CD GLU A 54 2.738 1.704 -14.180 1.00 0.00 C ATOM 862 OE1 GLU A 54 1.869 1.268 -14.975 1.00 0.00 O ATOM 863 OE2 GLU A 54 3.895 1.214 -14.141 1.00 0.00 O ATOM 0 H GLU A 54 3.828 4.368 -11.799 1.00 0.00 H new ATOM 0 HA GLU A 54 2.799 6.329 -13.611 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.818 4.323 -14.682 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.546 4.205 -14.417 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.006 2.798 -12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.347 2.755 -12.894 1.00 0.00 H new ATOM 870 N VAL A 55 0.668 7.039 -12.671 1.00 0.00 N ATOM 871 CA VAL A 55 -0.625 7.559 -12.186 1.00 0.00 C ATOM 872 C VAL A 55 -1.662 7.590 -13.303 1.00 0.00 C ATOM 873 O VAL A 55 -1.385 8.013 -14.428 1.00 0.00 O ATOM 874 CB VAL A 55 -0.491 8.979 -11.597 1.00 0.00 C ATOM 875 CG1 VAL A 55 -1.765 9.418 -10.860 1.00 0.00 C ATOM 876 CG2 VAL A 55 0.647 9.051 -10.582 1.00 0.00 C ATOM 0 H VAL A 55 1.213 7.739 -13.174 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.952 6.879 -11.400 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.301 9.634 -12.448 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.627 10.423 -10.461 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.606 9.415 -11.554 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.968 8.728 -10.041 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.717 10.064 -10.185 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.452 8.354 -9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.586 8.787 -11.069 1.00 0.00 H new ATOM 886 N PHE A 56 -2.891 7.209 -12.964 1.00 0.00 N ATOM 887 CA PHE A 56 -4.033 7.181 -13.871 1.00 0.00 C ATOM 888 C PHE A 56 -5.182 8.014 -13.292 1.00 0.00 C ATOM 889 O PHE A 56 -5.437 8.018 -12.085 1.00 0.00 O ATOM 890 CB PHE A 56 -4.457 5.723 -14.103 1.00 0.00 C ATOM 891 CG PHE A 56 -3.468 4.870 -14.882 1.00 0.00 C ATOM 892 CD1 PHE A 56 -2.270 4.432 -14.283 1.00 0.00 C ATOM 893 CD2 PHE A 56 -3.760 4.482 -16.204 1.00 0.00 C ATOM 894 CE1 PHE A 56 -1.355 3.652 -15.011 1.00 0.00 C ATOM 895 CE2 PHE A 56 -2.858 3.676 -16.922 1.00 0.00 C ATOM 896 CZ PHE A 56 -1.647 3.276 -16.332 1.00 0.00 C ATOM 0 H PHE A 56 -3.126 6.902 -12.020 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.758 7.618 -14.831 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.630 5.255 -13.134 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.409 5.720 -14.633 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.054 4.697 -13.259 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.680 4.805 -16.668 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.427 3.342 -14.554 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.097 3.364 -17.928 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.942 2.681 -16.893 1.00 0.00 H new ATOM 906 N GLU A 57 -5.866 8.742 -14.170 1.00 0.00 N ATOM 907 CA GLU A 57 -7.117 9.432 -13.890 1.00 0.00 C ATOM 908 C GLU A 57 -8.288 8.461 -14.072 1.00 0.00 C ATOM 909 O GLU A 57 -8.463 7.894 -15.152 1.00 0.00 O ATOM 910 CB GLU A 57 -7.238 10.622 -14.846 1.00 0.00 C ATOM 911 CG GLU A 57 -8.472 11.479 -14.583 1.00 0.00 C ATOM 912 CD GLU A 57 -8.313 12.857 -15.252 1.00 0.00 C ATOM 913 OE1 GLU A 57 -7.738 13.769 -14.609 1.00 0.00 O ATOM 914 OE2 GLU A 57 -8.742 13.030 -16.419 1.00 0.00 O ATOM 0 H GLU A 57 -5.551 8.871 -15.131 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.135 9.795 -12.862 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.347 11.243 -14.758 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.270 10.254 -15.872 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.360 10.979 -14.969 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.617 11.602 -13.510 1.00 0.00 H new ATOM 921 N TYR A 58 -9.099 8.297 -13.030 1.00 0.00 N ATOM 922 CA TYR A 58 -10.276 7.429 -13.002 1.00 0.00 C ATOM 923 C TYR A 58 -11.536 8.301 -12.883 1.00 0.00 C ATOM 924 O TYR A 58 -11.856 8.832 -11.815 1.00 0.00 O ATOM 925 CB TYR A 58 -10.148 6.412 -11.859 1.00 0.00 C ATOM 926 CG TYR A 58 -8.920 5.516 -11.918 1.00 0.00 C ATOM 927 CD1 TYR A 58 -8.950 4.313 -12.652 1.00 0.00 C ATOM 928 CD2 TYR A 58 -7.757 5.871 -11.208 1.00 0.00 C ATOM 929 CE1 TYR A 58 -7.835 3.454 -12.652 1.00 0.00 C ATOM 930 CE2 TYR A 58 -6.632 5.025 -11.223 1.00 0.00 C ATOM 931 CZ TYR A 58 -6.672 3.811 -11.942 1.00 0.00 C ATOM 932 OH TYR A 58 -5.593 2.985 -11.956 1.00 0.00 O ATOM 0 H TYR A 58 -8.949 8.784 -12.146 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.354 6.856 -13.926 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.137 6.953 -10.913 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -11.037 5.782 -11.855 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.832 4.049 -13.217 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.728 6.795 -10.650 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.871 2.522 -13.196 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.739 5.305 -10.685 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.874 3.377 -11.419 1.00 0.00 H new ATOM 942 N CYS A 59 -12.213 8.520 -14.012 1.00 0.00 N ATOM 943 CA CYS A 59 -13.396 9.374 -14.109 1.00 0.00 C ATOM 944 C CYS A 59 -14.670 8.614 -13.704 1.00 0.00 C ATOM 945 O CYS A 59 -14.814 7.419 -13.979 1.00 0.00 O ATOM 946 CB CYS A 59 -13.477 9.893 -15.552 1.00 0.00 C ATOM 947 SG CYS A 59 -14.742 11.188 -15.704 1.00 0.00 S ATOM 0 H CYS A 59 -11.948 8.099 -14.902 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.314 10.213 -13.418 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.508 10.288 -15.856 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.711 9.069 -16.227 1.00 0.00 H new ATOM 0 HG CYS A 59 -14.786 11.609 -16.933 1.00 0.00 H new ATOM 953 N LEU A 60 -15.611 9.315 -13.074 1.00 0.00 N ATOM 954 CA LEU A 60 -16.901 8.788 -12.617 1.00 0.00 C ATOM 955 C LEU A 60 -18.059 9.218 -13.525 1.00 0.00 C ATOM 956 O LEU A 60 -18.002 10.234 -14.217 1.00 0.00 O ATOM 957 CB LEU A 60 -17.128 9.263 -11.168 1.00 0.00 C ATOM 958 CG LEU A 60 -16.883 8.201 -10.085 1.00 0.00 C ATOM 959 CD1 LEU A 60 -15.587 7.403 -10.223 1.00 0.00 C ATOM 960 CD2 LEU A 60 -16.806 8.885 -8.726 1.00 0.00 C ATOM 0 H LEU A 60 -15.494 10.305 -12.858 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.875 7.699 -12.658 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.474 10.113 -10.975 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -18.153 9.622 -11.077 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.715 7.505 -10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.515 6.683 -9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.585 6.874 -11.176 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.735 8.082 -10.183 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.632 8.138 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.987 9.604 -8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.744 9.403 -8.526 1.00 0.00 H new ATOM 972 N GLU A 61 -19.146 8.445 -13.476 1.00 0.00 N ATOM 973 CA GLU A 61 -20.329 8.654 -14.333 1.00 0.00 C ATOM 974 C GLU A 61 -21.097 9.953 -14.011 1.00 0.00 C ATOM 975 O GLU A 61 -21.832 10.465 -14.859 1.00 0.00 O ATOM 976 CB GLU A 61 -21.268 7.435 -14.280 1.00 0.00 C ATOM 977 CG GLU A 61 -21.740 7.068 -12.869 1.00 0.00 C ATOM 978 CD GLU A 61 -23.138 6.424 -12.901 1.00 0.00 C ATOM 979 OE1 GLU A 61 -24.153 7.162 -12.859 1.00 0.00 O ATOM 980 OE2 GLU A 61 -23.236 5.175 -12.980 1.00 0.00 O ATOM 0 H GLU A 61 -19.237 7.652 -12.841 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.952 8.767 -15.349 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -22.140 7.635 -14.903 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -20.756 6.577 -14.715 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -21.029 6.379 -12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -21.762 7.962 -12.246 1.00 0.00 H new ATOM 987 N ASP A 62 -20.908 10.510 -12.808 1.00 0.00 N ATOM 988 CA ASP A 62 -21.516 11.790 -12.398 1.00 0.00 C ATOM 989 C ASP A 62 -20.703 13.022 -12.856 1.00 0.00 C ATOM 990 O ASP A 62 -21.219 14.143 -12.866 1.00 0.00 O ATOM 991 CB ASP A 62 -21.695 11.790 -10.875 1.00 0.00 C ATOM 992 CG ASP A 62 -22.538 12.980 -10.380 1.00 0.00 C ATOM 993 OD1 ASP A 62 -23.744 13.054 -10.723 1.00 0.00 O ATOM 994 OD2 ASP A 62 -22.012 13.825 -9.616 1.00 0.00 O ATOM 0 H ASP A 62 -20.326 10.086 -12.085 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.484 11.873 -12.892 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -22.172 10.859 -10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.716 11.819 -10.397 1.00 0.00 H new ATOM 999 N GLY A 63 -19.437 12.818 -13.245 1.00 0.00 N ATOM 1000 CA GLY A 63 -18.510 13.864 -13.707 1.00 0.00 C ATOM 1001 C GLY A 63 -17.317 14.112 -12.773 1.00 0.00 C ATOM 1002 O GLY A 63 -16.465 14.946 -13.085 1.00 0.00 O ATOM 0 H GLY A 63 -19.014 11.890 -13.247 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -18.133 13.589 -14.692 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.063 14.796 -13.826 1.00 0.00 H new ATOM 1006 N SER A 64 -17.250 13.419 -11.630 1.00 0.00 N ATOM 1007 CA SER A 64 -16.132 13.479 -10.671 1.00 0.00 C ATOM 1008 C SER A 64 -14.849 12.819 -11.210 1.00 0.00 C ATOM 1009 O SER A 64 -14.897 11.944 -12.079 1.00 0.00 O ATOM 1010 CB SER A 64 -16.538 12.810 -9.351 1.00 0.00 C ATOM 1011 OG SER A 64 -17.657 13.475 -8.786 1.00 0.00 O ATOM 0 H SER A 64 -17.991 12.783 -11.335 1.00 0.00 H new ATOM 0 HA SER A 64 -15.911 14.534 -10.508 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.780 11.762 -9.526 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.702 12.832 -8.652 1.00 0.00 H new ATOM 0 HG SER A 64 -17.907 13.038 -7.945 1.00 0.00 H new ATOM 1017 N LEU A 65 -13.695 13.205 -10.652 1.00 0.00 N ATOM 1018 CA LEU A 65 -12.360 12.719 -11.032 1.00 0.00 C ATOM 1019 C LEU A 65 -11.584 12.219 -9.794 1.00 0.00 C ATOM 1020 O LEU A 65 -11.738 12.750 -8.690 1.00 0.00 O ATOM 1021 CB LEU A 65 -11.565 13.857 -11.712 1.00 0.00 C ATOM 1022 CG LEU A 65 -11.838 14.213 -13.187 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -11.721 12.995 -14.097 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -13.187 14.877 -13.453 1.00 0.00 C ATOM 0 H LEU A 65 -13.663 13.889 -9.896 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.482 11.887 -11.726 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.727 14.761 -11.125 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.507 13.608 -11.629 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.063 14.945 -13.416 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.921 13.290 -15.127 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.714 12.583 -14.026 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.444 12.240 -13.789 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.285 15.088 -14.518 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.989 14.209 -13.140 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.251 15.809 -12.891 1.00 0.00 H new ATOM 1036 N ILE A 66 -10.718 11.221 -10.000 1.00 0.00 N ATOM 1037 CA ILE A 66 -9.846 10.578 -8.993 1.00 0.00 C ATOM 1038 C ILE A 66 -8.475 10.317 -9.650 1.00 0.00 C ATOM 1039 O ILE A 66 -8.427 9.991 -10.837 1.00 0.00 O ATOM 1040 CB ILE A 66 -10.488 9.249 -8.495 1.00 0.00 C ATOM 1041 CG1 ILE A 66 -11.933 9.445 -7.961 1.00 0.00 C ATOM 1042 CG2 ILE A 66 -9.635 8.566 -7.406 1.00 0.00 C ATOM 1043 CD1 ILE A 66 -12.658 8.143 -7.595 1.00 0.00 C ATOM 0 H ILE A 66 -10.595 10.812 -10.926 1.00 0.00 H new ATOM 0 HA ILE A 66 -9.722 11.226 -8.125 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.530 8.604 -9.373 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.898 10.086 -7.080 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.517 9.972 -8.715 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.121 7.643 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.648 8.337 -7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.533 9.235 -6.551 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.659 8.374 -7.232 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.730 7.506 -8.477 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.100 7.623 -6.816 1.00 0.00 H new ATOM 1055 N ARG A 67 -7.362 10.448 -8.908 1.00 0.00 N ATOM 1056 CA ARG A 67 -5.983 10.276 -9.420 1.00 0.00 C ATOM 1057 C ARG A 67 -5.103 9.460 -8.465 1.00 0.00 C ATOM 1058 O ARG A 67 -4.775 9.920 -7.369 1.00 0.00 O ATOM 1059 CB ARG A 67 -5.348 11.651 -9.697 1.00 0.00 C ATOM 1060 CG ARG A 67 -6.017 12.380 -10.871 1.00 0.00 C ATOM 1061 CD ARG A 67 -5.218 13.633 -11.247 1.00 0.00 C ATOM 1062 NE ARG A 67 -5.667 14.194 -12.533 1.00 0.00 N ATOM 1063 CZ ARG A 67 -5.151 15.227 -13.170 1.00 0.00 C ATOM 1064 NH1 ARG A 67 -4.113 15.884 -12.732 1.00 0.00 N ATOM 1065 NH2 ARG A 67 -5.694 15.611 -14.284 1.00 0.00 N ATOM 0 H ARG A 67 -7.392 10.681 -7.915 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.048 9.713 -10.351 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.420 12.268 -8.801 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.287 11.522 -9.911 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.085 11.713 -11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.036 12.658 -10.602 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.326 14.383 -10.464 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.158 13.386 -11.307 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.462 13.735 -12.978 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.663 15.605 -11.860 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.751 16.677 -13.261 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.506 15.116 -14.653 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.309 16.408 -14.791 1.00 0.00 H new ATOM 1079 N ALA A 68 -4.717 8.254 -8.882 1.00 0.00 N ATOM 1080 CA ALA A 68 -3.986 7.283 -8.057 1.00 0.00 C ATOM 1081 C ALA A 68 -3.162 6.286 -8.897 1.00 0.00 C ATOM 1082 O ALA A 68 -3.279 6.237 -10.125 1.00 0.00 O ATOM 1083 CB ALA A 68 -5.022 6.534 -7.208 1.00 0.00 C ATOM 0 H ALA A 68 -4.907 7.914 -9.825 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.267 7.816 -7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.516 5.801 -6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.558 7.244 -6.578 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.729 6.024 -7.863 1.00 0.00 H new ATOM 1089 N THR A 69 -2.338 5.470 -8.232 1.00 0.00 N ATOM 1090 CA THR A 69 -1.677 4.307 -8.850 1.00 0.00 C ATOM 1091 C THR A 69 -2.572 3.069 -8.782 1.00 0.00 C ATOM 1092 O THR A 69 -3.480 2.984 -7.952 1.00 0.00 O ATOM 1093 CB THR A 69 -0.340 3.967 -8.177 1.00 0.00 C ATOM 1094 OG1 THR A 69 -0.471 3.722 -6.796 1.00 0.00 O ATOM 1095 CG2 THR A 69 0.680 5.080 -8.342 1.00 0.00 C ATOM 0 H THR A 69 -2.107 5.595 -7.246 1.00 0.00 H new ATOM 0 HA THR A 69 -1.490 4.585 -9.887 1.00 0.00 H new ATOM 0 HB THR A 69 -0.001 3.061 -8.680 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.027 2.878 -6.570 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.611 4.796 -7.850 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.867 5.248 -9.403 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.296 5.995 -7.892 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.277 2.060 -9.615 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.987 0.760 -9.611 1.00 0.00 C ATOM 1105 C LYS A 70 -2.894 0.012 -8.273 1.00 0.00 C ATOM 1106 O LYS A 70 -3.762 -0.798 -7.962 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.455 -0.161 -10.729 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.183 -0.020 -12.074 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.791 1.224 -12.879 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.566 1.267 -14.204 1.00 0.00 C ATOM 1111 NZ LYS A 70 -3.044 0.286 -15.197 1.00 0.00 N ATOM 0 H LYS A 70 -1.537 2.117 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.035 1.004 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.396 0.048 -10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.531 -1.196 -10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.982 -0.906 -12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.257 0.004 -11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.000 2.122 -12.298 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.719 1.215 -13.077 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.619 1.062 -14.013 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.508 2.271 -14.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.469 0.783 -15.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.458 -0.422 -14.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.841 -0.188 -15.668 1.00 0.00 H new ATOM 1125 N ASP A 71 -1.844 0.271 -7.498 1.00 0.00 N ATOM 1126 CA ASP A 71 -1.523 -0.428 -6.250 1.00 0.00 C ATOM 1127 C ASP A 71 -2.258 0.159 -5.033 1.00 0.00 C ATOM 1128 O ASP A 71 -2.303 -0.478 -3.977 1.00 0.00 O ATOM 1129 CB ASP A 71 -0.009 -0.351 -6.017 1.00 0.00 C ATOM 1130 CG ASP A 71 0.790 -1.196 -7.018 1.00 0.00 C ATOM 1131 OD1 ASP A 71 0.965 -2.416 -6.773 1.00 0.00 O ATOM 1132 OD2 ASP A 71 1.256 -0.647 -8.045 1.00 0.00 O ATOM 0 H ASP A 71 -1.167 0.999 -7.727 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.853 -1.462 -6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.313 0.688 -6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.216 -0.686 -5.004 1.00 0.00 H new ATOM 1137 N HIS A 72 -2.819 1.369 -5.152 1.00 0.00 N ATOM 1138 CA HIS A 72 -3.570 2.004 -4.075 1.00 0.00 C ATOM 1139 C HIS A 72 -4.938 1.300 -3.922 1.00 0.00 C ATOM 1140 O HIS A 72 -5.641 1.115 -4.922 1.00 0.00 O ATOM 1141 CB HIS A 72 -3.771 3.489 -4.425 1.00 0.00 C ATOM 1142 CG HIS A 72 -4.370 4.261 -3.279 1.00 0.00 C ATOM 1143 ND1 HIS A 72 -5.649 4.155 -2.791 1.00 0.00 N ATOM 1144 CD2 HIS A 72 -3.677 5.023 -2.381 1.00 0.00 C ATOM 1145 CE1 HIS A 72 -5.698 4.786 -1.608 1.00 0.00 C ATOM 1146 NE2 HIS A 72 -4.528 5.372 -1.330 1.00 0.00 N ATOM 0 H HIS A 72 -2.762 1.931 -6.001 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.027 1.923 -3.134 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.813 3.930 -4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.420 3.572 -5.297 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -6.427 3.679 -3.248 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.639 5.309 -2.470 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.566 4.817 -0.966 1.00 0.00 H new ATOM 1154 N LYS A 73 -5.359 0.941 -2.696 1.00 0.00 N ATOM 1155 CA LYS A 73 -6.681 0.328 -2.452 1.00 0.00 C ATOM 1156 C LYS A 73 -7.738 1.349 -2.024 1.00 0.00 C ATOM 1157 O LYS A 73 -7.443 2.380 -1.425 1.00 0.00 O ATOM 1158 CB LYS A 73 -6.617 -0.838 -1.445 1.00 0.00 C ATOM 1159 CG LYS A 73 -5.683 -1.999 -1.830 1.00 0.00 C ATOM 1160 CD LYS A 73 -4.279 -1.869 -1.227 1.00 0.00 C ATOM 1161 CE LYS A 73 -3.497 -3.182 -1.363 1.00 0.00 C ATOM 1162 NZ LYS A 73 -3.760 -4.119 -0.232 1.00 0.00 N ATOM 0 H LYS A 73 -4.800 1.065 -1.852 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.989 -0.080 -3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.298 -0.444 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.624 -1.234 -1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.127 -2.939 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.602 -2.047 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.738 -1.066 -1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.355 -1.595 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.765 -3.666 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.430 -2.963 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.210 -4.991 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.480 -3.670 0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.773 -4.350 -0.201 1.00 0.00 H new ATOM 1176 N PHE A 74 -8.999 1.055 -2.307 1.00 0.00 N ATOM 1177 CA PHE A 74 -10.133 1.923 -1.979 1.00 0.00 C ATOM 1178 C PHE A 74 -11.228 1.087 -1.307 1.00 0.00 C ATOM 1179 O PHE A 74 -11.477 -0.054 -1.709 1.00 0.00 O ATOM 1180 CB PHE A 74 -10.623 2.625 -3.254 1.00 0.00 C ATOM 1181 CG PHE A 74 -9.712 3.709 -3.811 1.00 0.00 C ATOM 1182 CD1 PHE A 74 -8.555 3.389 -4.557 1.00 0.00 C ATOM 1183 CD2 PHE A 74 -10.059 5.061 -3.621 1.00 0.00 C ATOM 1184 CE1 PHE A 74 -7.767 4.416 -5.111 1.00 0.00 C ATOM 1185 CE2 PHE A 74 -9.269 6.082 -4.175 1.00 0.00 C ATOM 1186 CZ PHE A 74 -8.125 5.762 -4.922 1.00 0.00 C ATOM 0 H PHE A 74 -9.273 0.193 -2.779 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.836 2.701 -1.275 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.771 1.870 -4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.598 3.067 -3.050 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.275 2.356 -4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.938 5.314 -3.046 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.885 4.169 -5.683 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.543 7.116 -4.026 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.521 6.548 -5.351 1.00 0.00 H new ATOM 1196 N MET A 75 -11.838 1.617 -0.240 1.00 0.00 N ATOM 1197 CA MET A 75 -12.805 0.853 0.559 1.00 0.00 C ATOM 1198 C MET A 75 -14.179 0.875 -0.117 1.00 0.00 C ATOM 1199 O MET A 75 -14.811 1.929 -0.253 1.00 0.00 O ATOM 1200 CB MET A 75 -12.854 1.323 2.022 1.00 0.00 C ATOM 1201 CG MET A 75 -13.219 0.188 2.984 1.00 0.00 C ATOM 1202 SD MET A 75 -12.780 0.520 4.718 1.00 0.00 S ATOM 1203 CE MET A 75 -14.032 1.743 5.205 1.00 0.00 C ATOM 0 H MET A 75 -11.680 2.569 0.090 1.00 0.00 H new ATOM 0 HA MET A 75 -12.471 -0.184 0.601 1.00 0.00 H new ATOM 0 HB2 MET A 75 -11.885 1.736 2.302 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.583 2.127 2.119 1.00 0.00 H new ATOM 0 HG2 MET A 75 -14.291 0.002 2.920 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.717 -0.724 2.661 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.624 2.392 5.980 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.311 2.343 4.339 1.00 0.00 H new ATOM 0 HE3 MET A 75 -14.913 1.229 5.589 1.00 0.00 H new ATOM 1213 N THR A 76 -14.620 -0.291 -0.585 1.00 0.00 N ATOM 1214 CA THR A 76 -15.900 -0.450 -1.286 1.00 0.00 C ATOM 1215 C THR A 76 -17.091 -0.272 -0.350 1.00 0.00 C ATOM 1216 O THR A 76 -16.944 -0.214 0.874 1.00 0.00 O ATOM 1217 CB THR A 76 -15.990 -1.802 -2.005 1.00 0.00 C ATOM 1218 OG1 THR A 76 -15.935 -2.869 -1.083 1.00 0.00 O ATOM 1219 CG2 THR A 76 -14.857 -1.942 -3.013 1.00 0.00 C ATOM 0 H THR A 76 -14.097 -1.162 -0.489 1.00 0.00 H new ATOM 0 HA THR A 76 -15.939 0.340 -2.036 1.00 0.00 H new ATOM 0 HB THR A 76 -16.946 -1.840 -2.528 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.996 -3.721 -1.564 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.934 -2.906 -3.515 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.925 -1.142 -3.750 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.900 -1.878 -2.496 1.00 0.00 H new ATOM 1227 N VAL A 77 -18.295 -0.222 -0.921 1.00 0.00 N ATOM 1228 CA VAL A 77 -19.550 -0.169 -0.149 1.00 0.00 C ATOM 1229 C VAL A 77 -19.738 -1.345 0.827 1.00 0.00 C ATOM 1230 O VAL A 77 -20.453 -1.214 1.822 1.00 0.00 O ATOM 1231 CB VAL A 77 -20.781 -0.053 -1.064 1.00 0.00 C ATOM 1232 CG1 VAL A 77 -20.758 1.275 -1.824 1.00 0.00 C ATOM 1233 CG2 VAL A 77 -20.886 -1.203 -2.073 1.00 0.00 C ATOM 0 H VAL A 77 -18.434 -0.217 -1.931 1.00 0.00 H new ATOM 0 HA VAL A 77 -19.461 0.734 0.455 1.00 0.00 H new ATOM 0 HB VAL A 77 -21.652 -0.103 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -21.636 1.342 -2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -20.765 2.101 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -19.856 1.329 -2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -21.774 -1.066 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -20.000 -1.212 -2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -20.958 -2.150 -1.539 1.00 0.00 H new ATOM 1243 N ASP A 78 -19.083 -2.484 0.569 1.00 0.00 N ATOM 1244 CA ASP A 78 -19.079 -3.664 1.447 1.00 0.00 C ATOM 1245 C ASP A 78 -18.060 -3.565 2.602 1.00 0.00 C ATOM 1246 O ASP A 78 -18.102 -4.375 3.533 1.00 0.00 O ATOM 1247 CB ASP A 78 -18.772 -4.915 0.610 1.00 0.00 C ATOM 1248 CG ASP A 78 -19.831 -5.168 -0.472 1.00 0.00 C ATOM 1249 OD1 ASP A 78 -20.982 -5.533 -0.124 1.00 0.00 O ATOM 1250 OD2 ASP A 78 -19.512 -5.023 -1.678 1.00 0.00 O ATOM 0 H ASP A 78 -18.527 -2.615 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 78 -20.068 -3.724 1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -17.795 -4.804 0.140 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.713 -5.783 1.267 1.00 0.00 H new ATOM 1255 N GLY A 79 -17.131 -2.599 2.549 1.00 0.00 N ATOM 1256 CA GLY A 79 -16.062 -2.425 3.541 1.00 0.00 C ATOM 1257 C GLY A 79 -14.764 -3.172 3.202 1.00 0.00 C ATOM 1258 O GLY A 79 -13.825 -3.157 4.000 1.00 0.00 O ATOM 0 H GLY A 79 -17.102 -1.905 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -15.842 -1.362 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.422 -2.767 4.511 1.00 0.00 H new ATOM 1262 N GLN A 80 -14.695 -3.836 2.040 1.00 0.00 N ATOM 1263 CA GLN A 80 -13.483 -4.502 1.546 1.00 0.00 C ATOM 1264 C GLN A 80 -12.494 -3.478 0.968 1.00 0.00 C ATOM 1265 O GLN A 80 -12.906 -2.441 0.449 1.00 0.00 O ATOM 1266 CB GLN A 80 -13.849 -5.548 0.477 1.00 0.00 C ATOM 1267 CG GLN A 80 -14.794 -6.634 1.017 1.00 0.00 C ATOM 1268 CD GLN A 80 -14.844 -7.852 0.095 1.00 0.00 C ATOM 1269 OE1 GLN A 80 -14.220 -8.877 0.343 1.00 0.00 O ATOM 1270 NE2 GLN A 80 -15.569 -7.796 -1.004 1.00 0.00 N ATOM 0 H GLN A 80 -15.491 -3.927 1.408 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.004 -5.006 2.385 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.320 -5.048 -0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.938 -6.016 0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.464 -6.942 2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.797 -6.221 1.128 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -16.095 -6.950 -1.226 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.605 -8.598 -1.633 1.00 0.00 H new ATOM 1279 N MET A 81 -11.192 -3.781 1.012 1.00 0.00 N ATOM 1280 CA MET A 81 -10.109 -2.874 0.598 1.00 0.00 C ATOM 1281 C MET A 81 -9.295 -3.491 -0.548 1.00 0.00 C ATOM 1282 O MET A 81 -8.377 -4.286 -0.340 1.00 0.00 O ATOM 1283 CB MET A 81 -9.274 -2.430 1.816 1.00 0.00 C ATOM 1284 CG MET A 81 -8.535 -3.557 2.560 1.00 0.00 C ATOM 1285 SD MET A 81 -8.745 -3.580 4.362 1.00 0.00 S ATOM 1286 CE MET A 81 -10.471 -4.137 4.466 1.00 0.00 C ATOM 0 H MET A 81 -10.851 -4.683 1.344 1.00 0.00 H new ATOM 0 HA MET A 81 -10.532 -1.956 0.190 1.00 0.00 H new ATOM 0 HB2 MET A 81 -8.540 -1.696 1.483 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.933 -1.924 2.521 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.873 -4.513 2.161 1.00 0.00 H new ATOM 0 HG3 MET A 81 -7.471 -3.477 2.338 1.00 0.00 H new ATOM 0 HE1 MET A 81 -10.768 -4.207 5.512 1.00 0.00 H new ATOM 0 HE2 MET A 81 -11.115 -3.423 3.953 1.00 0.00 H new ATOM 0 HE3 MET A 81 -10.567 -5.115 3.995 1.00 0.00 H new ATOM 1296 N LEU A 82 -9.678 -3.141 -1.779 1.00 0.00 N ATOM 1297 CA LEU A 82 -9.182 -3.746 -3.022 1.00 0.00 C ATOM 1298 C LEU A 82 -8.518 -2.670 -3.900 1.00 0.00 C ATOM 1299 O LEU A 82 -8.933 -1.509 -3.839 1.00 0.00 O ATOM 1300 CB LEU A 82 -10.364 -4.395 -3.780 1.00 0.00 C ATOM 1301 CG LEU A 82 -11.300 -5.300 -2.949 1.00 0.00 C ATOM 1302 CD1 LEU A 82 -12.483 -5.752 -3.804 1.00 0.00 C ATOM 1303 CD2 LEU A 82 -10.590 -6.539 -2.404 1.00 0.00 C ATOM 0 H LEU A 82 -10.364 -2.405 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.441 -4.510 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.963 -3.600 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.959 -4.985 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.639 -4.705 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -13.138 -6.390 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -13.039 -4.879 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.117 -6.310 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.295 -7.139 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.203 -7.131 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.765 -6.232 -1.761 1.00 0.00 H new ATOM 1315 N PRO A 83 -7.498 -3.014 -4.710 1.00 0.00 N ATOM 1316 CA PRO A 83 -6.825 -2.051 -5.579 1.00 0.00 C ATOM 1317 C PRO A 83 -7.780 -1.491 -6.634 1.00 0.00 C ATOM 1318 O PRO A 83 -8.635 -2.208 -7.153 1.00 0.00 O ATOM 1319 CB PRO A 83 -5.641 -2.793 -6.201 1.00 0.00 C ATOM 1320 CG PRO A 83 -6.037 -4.263 -6.111 1.00 0.00 C ATOM 1321 CD PRO A 83 -6.914 -4.338 -4.863 1.00 0.00 C ATOM 0 HA PRO A 83 -6.478 -1.183 -5.019 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.476 -2.487 -7.234 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.717 -2.595 -5.659 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.580 -4.584 -7.000 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.162 -4.907 -6.022 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.689 -5.097 -4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.325 -4.610 -3.987 1.00 0.00 H new ATOM 1329 N ILE A 84 -7.602 -0.221 -7.003 1.00 0.00 N ATOM 1330 CA ILE A 84 -8.388 0.443 -8.061 1.00 0.00 C ATOM 1331 C ILE A 84 -8.360 -0.312 -9.408 1.00 0.00 C ATOM 1332 O ILE A 84 -9.339 -0.310 -10.156 1.00 0.00 O ATOM 1333 CB ILE A 84 -7.945 1.915 -8.182 1.00 0.00 C ATOM 1334 CG1 ILE A 84 -8.926 2.732 -9.047 1.00 0.00 C ATOM 1335 CG2 ILE A 84 -6.507 2.049 -8.707 1.00 0.00 C ATOM 1336 CD1 ILE A 84 -9.448 3.975 -8.323 1.00 0.00 C ATOM 0 H ILE A 84 -6.903 0.387 -6.576 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.438 0.423 -7.768 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.960 2.328 -7.173 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.428 3.034 -9.969 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -9.768 2.101 -9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.241 3.104 -8.775 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.822 1.545 -8.025 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.436 1.593 -9.694 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.134 4.515 -8.975 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.971 3.674 -7.415 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.611 4.623 -8.062 1.00 0.00 H new ATOM 1348 N ASP A 85 -7.270 -1.041 -9.665 1.00 0.00 N ATOM 1349 CA ASP A 85 -7.113 -1.975 -10.788 1.00 0.00 C ATOM 1350 C ASP A 85 -8.180 -3.088 -10.809 1.00 0.00 C ATOM 1351 O ASP A 85 -8.661 -3.476 -11.876 1.00 0.00 O ATOM 1352 CB ASP A 85 -5.719 -2.604 -10.687 1.00 0.00 C ATOM 1353 CG ASP A 85 -5.414 -3.535 -11.871 1.00 0.00 C ATOM 1354 OD1 ASP A 85 -5.250 -3.037 -13.011 1.00 0.00 O ATOM 1355 OD2 ASP A 85 -5.302 -4.768 -11.658 1.00 0.00 O ATOM 0 H ASP A 85 -6.440 -0.996 -9.075 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.238 -1.413 -11.713 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.968 -1.815 -10.645 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.643 -3.166 -9.756 1.00 0.00 H new ATOM 1360 N GLU A 86 -8.573 -3.584 -9.631 1.00 0.00 N ATOM 1361 CA GLU A 86 -9.628 -4.589 -9.471 1.00 0.00 C ATOM 1362 C GLU A 86 -11.014 -3.931 -9.546 1.00 0.00 C ATOM 1363 O GLU A 86 -11.896 -4.426 -10.243 1.00 0.00 O ATOM 1364 CB GLU A 86 -9.438 -5.305 -8.118 1.00 0.00 C ATOM 1365 CG GLU A 86 -10.189 -6.637 -7.996 1.00 0.00 C ATOM 1366 CD GLU A 86 -9.573 -7.724 -8.895 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -8.533 -8.317 -8.512 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -10.130 -8.012 -9.981 1.00 0.00 O ATOM 0 H GLU A 86 -8.159 -3.292 -8.746 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.561 -5.318 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.374 -5.486 -7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.769 -4.641 -7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.172 -6.970 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.235 -6.491 -8.267 1.00 0.00 H new ATOM 1375 N ILE A 87 -11.200 -2.781 -8.887 1.00 0.00 N ATOM 1376 CA ILE A 87 -12.478 -2.055 -8.821 1.00 0.00 C ATOM 1377 C ILE A 87 -12.983 -1.677 -10.224 1.00 0.00 C ATOM 1378 O ILE A 87 -14.169 -1.828 -10.518 1.00 0.00 O ATOM 1379 CB ILE A 87 -12.323 -0.813 -7.914 1.00 0.00 C ATOM 1380 CG1 ILE A 87 -11.880 -1.259 -6.498 1.00 0.00 C ATOM 1381 CG2 ILE A 87 -13.652 -0.034 -7.838 1.00 0.00 C ATOM 1382 CD1 ILE A 87 -11.418 -0.132 -5.574 1.00 0.00 C ATOM 0 H ILE A 87 -10.451 -2.318 -8.373 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.233 -2.710 -8.385 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.564 -0.155 -8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.711 -1.779 -6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.069 -1.980 -6.599 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -13.527 0.838 -7.196 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -13.941 0.290 -8.838 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.429 -0.679 -7.427 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.130 -0.548 -4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.563 0.377 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.231 0.580 -5.434 1.00 0.00 H new ATOM 1394 N PHE A 88 -12.080 -1.236 -11.107 1.00 0.00 N ATOM 1395 CA PHE A 88 -12.390 -0.911 -12.505 1.00 0.00 C ATOM 1396 C PHE A 88 -12.873 -2.124 -13.330 1.00 0.00 C ATOM 1397 O PHE A 88 -13.760 -1.980 -14.174 1.00 0.00 O ATOM 1398 CB PHE A 88 -11.143 -0.276 -13.140 1.00 0.00 C ATOM 1399 CG PHE A 88 -11.275 0.080 -14.611 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -12.252 1.000 -15.042 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -10.409 -0.505 -15.554 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -12.338 1.361 -16.399 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -10.494 -0.145 -16.912 1.00 0.00 C ATOM 1404 CZ PHE A 88 -11.453 0.794 -17.334 1.00 0.00 C ATOM 0 H PHE A 88 -11.099 -1.093 -10.868 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.226 -0.212 -12.511 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.893 0.628 -12.585 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.305 -0.964 -13.023 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.938 1.430 -14.327 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.677 -1.232 -15.235 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.083 2.073 -16.723 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.822 -0.590 -17.631 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.510 1.079 -18.374 1.00 0.00 H new ATOM 1414 N GLU A 89 -12.336 -3.322 -13.074 1.00 0.00 N ATOM 1415 CA GLU A 89 -12.741 -4.564 -13.757 1.00 0.00 C ATOM 1416 C GLU A 89 -14.024 -5.176 -13.179 1.00 0.00 C ATOM 1417 O GLU A 89 -14.880 -5.649 -13.935 1.00 0.00 O ATOM 1418 CB GLU A 89 -11.627 -5.623 -13.682 1.00 0.00 C ATOM 1419 CG GLU A 89 -10.502 -5.345 -14.687 1.00 0.00 C ATOM 1420 CD GLU A 89 -9.612 -6.586 -14.882 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -9.972 -7.470 -15.701 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -8.538 -6.694 -14.239 1.00 0.00 O ATOM 0 H GLU A 89 -11.601 -3.462 -12.381 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.930 -4.279 -14.792 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.215 -5.645 -12.673 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.050 -6.609 -13.875 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.931 -5.047 -15.644 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.895 -4.510 -14.336 1.00 0.00 H new ATOM 1429 N ARG A 90 -14.170 -5.167 -11.847 1.00 0.00 N ATOM 1430 CA ARG A 90 -15.359 -5.672 -11.141 1.00 0.00 C ATOM 1431 C ARG A 90 -16.554 -4.710 -11.200 1.00 0.00 C ATOM 1432 O ARG A 90 -17.675 -5.120 -10.898 1.00 0.00 O ATOM 1433 CB ARG A 90 -15.000 -6.003 -9.680 1.00 0.00 C ATOM 1434 CG ARG A 90 -13.880 -7.041 -9.487 1.00 0.00 C ATOM 1435 CD ARG A 90 -14.064 -8.352 -10.257 1.00 0.00 C ATOM 1436 NE ARG A 90 -15.371 -8.990 -10.013 1.00 0.00 N ATOM 1437 CZ ARG A 90 -15.754 -9.649 -8.930 1.00 0.00 C ATOM 1438 NH1 ARG A 90 -14.957 -9.853 -7.916 1.00 0.00 N ATOM 1439 NH2 ARG A 90 -16.964 -10.123 -8.840 1.00 0.00 N ATOM 0 H ARG A 90 -13.454 -4.803 -11.218 1.00 0.00 H new ATOM 0 HA ARG A 90 -15.674 -6.578 -11.658 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.706 -5.081 -9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -15.897 -6.366 -9.178 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.934 -6.591 -9.789 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.799 -7.271 -8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.955 -8.158 -11.324 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.271 -9.045 -9.977 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.058 -8.915 -10.763 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.000 -9.500 -7.940 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.291 -10.366 -7.100 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -17.623 -9.988 -9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.252 -10.630 -8.003 1.00 0.00 H new ATOM 1453 N GLU A 91 -16.327 -3.456 -11.606 1.00 0.00 N ATOM 1454 CA GLU A 91 -17.332 -2.385 -11.701 1.00 0.00 C ATOM 1455 C GLU A 91 -18.038 -2.103 -10.356 1.00 0.00 C ATOM 1456 O GLU A 91 -19.240 -1.823 -10.304 1.00 0.00 O ATOM 1457 CB GLU A 91 -18.306 -2.640 -12.873 1.00 0.00 C ATOM 1458 CG GLU A 91 -17.589 -2.885 -14.213 1.00 0.00 C ATOM 1459 CD GLU A 91 -18.540 -2.887 -15.427 1.00 0.00 C ATOM 1460 OE1 GLU A 91 -19.756 -3.172 -15.284 1.00 0.00 O ATOM 1461 OE2 GLU A 91 -18.071 -2.593 -16.554 1.00 0.00 O ATOM 0 H GLU A 91 -15.399 -3.144 -11.890 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.805 -1.459 -11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -18.929 -3.503 -12.638 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.973 -1.784 -12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.831 -2.115 -14.357 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.068 -3.841 -14.168 1.00 0.00 H new ATOM 1468 N LEU A 92 -17.290 -2.217 -9.250 1.00 0.00 N ATOM 1469 CA LEU A 92 -17.809 -2.044 -7.884 1.00 0.00 C ATOM 1470 C LEU A 92 -17.809 -0.571 -7.434 1.00 0.00 C ATOM 1471 O LEU A 92 -16.947 0.223 -7.818 1.00 0.00 O ATOM 1472 CB LEU A 92 -16.994 -2.921 -6.912 1.00 0.00 C ATOM 1473 CG LEU A 92 -17.220 -4.434 -7.106 1.00 0.00 C ATOM 1474 CD1 LEU A 92 -16.191 -5.229 -6.301 1.00 0.00 C ATOM 1475 CD2 LEU A 92 -18.617 -4.881 -6.667 1.00 0.00 C ATOM 0 H LEU A 92 -16.294 -2.435 -9.278 1.00 0.00 H new ATOM 0 HA LEU A 92 -18.851 -2.363 -7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.934 -2.701 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.254 -2.652 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 92 -17.114 -4.627 -8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.361 -6.296 -6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.187 -4.972 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -16.290 -4.986 -5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.722 -5.954 -6.825 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -18.756 -4.655 -5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.369 -4.353 -7.253 1.00 0.00 H new ATOM 1487 N ASP A 93 -18.782 -0.211 -6.594 1.00 0.00 N ATOM 1488 CA ASP A 93 -18.947 1.141 -6.039 1.00 0.00 C ATOM 1489 C ASP A 93 -18.138 1.369 -4.743 1.00 0.00 C ATOM 1490 O ASP A 93 -17.746 0.421 -4.051 1.00 0.00 O ATOM 1491 CB ASP A 93 -20.435 1.398 -5.760 1.00 0.00 C ATOM 1492 CG ASP A 93 -21.322 1.189 -6.998 1.00 0.00 C ATOM 1493 OD1 ASP A 93 -21.273 2.026 -7.927 1.00 0.00 O ATOM 1494 OD2 ASP A 93 -22.091 0.195 -7.029 1.00 0.00 O ATOM 0 H ASP A 93 -19.496 -0.864 -6.271 1.00 0.00 H new ATOM 0 HA ASP A 93 -18.562 1.839 -6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -20.770 0.734 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -20.560 2.418 -5.398 1.00 0.00 H new ATOM 1499 N LEU A 94 -17.948 2.643 -4.366 1.00 0.00 N ATOM 1500 CA LEU A 94 -17.196 3.062 -3.173 1.00 0.00 C ATOM 1501 C LEU A 94 -18.092 3.724 -2.116 1.00 0.00 C ATOM 1502 O LEU A 94 -19.147 4.293 -2.415 1.00 0.00 O ATOM 1503 CB LEU A 94 -16.035 3.993 -3.583 1.00 0.00 C ATOM 1504 CG LEU A 94 -14.998 3.367 -4.537 1.00 0.00 C ATOM 1505 CD1 LEU A 94 -13.868 4.364 -4.797 1.00 0.00 C ATOM 1506 CD2 LEU A 94 -14.374 2.089 -3.975 1.00 0.00 C ATOM 0 H LEU A 94 -18.323 3.430 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.786 2.165 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.453 4.881 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.521 4.326 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 94 -15.531 3.117 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -13.137 3.918 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.277 5.267 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.384 4.619 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -13.652 1.692 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -13.870 2.313 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.155 1.349 -3.800 1.00 0.00 H new ATOM 1518 N MET A 95 -17.664 3.645 -0.854 1.00 0.00 N ATOM 1519 CA MET A 95 -18.368 4.268 0.274 1.00 0.00 C ATOM 1520 C MET A 95 -18.015 5.767 0.394 1.00 0.00 C ATOM 1521 O MET A 95 -16.890 6.157 0.083 1.00 0.00 O ATOM 1522 CB MET A 95 -18.063 3.446 1.536 1.00 0.00 C ATOM 1523 CG MET A 95 -18.928 3.850 2.737 1.00 0.00 C ATOM 1524 SD MET A 95 -19.182 2.543 3.978 1.00 0.00 S ATOM 1525 CE MET A 95 -17.500 1.893 4.188 1.00 0.00 C ATOM 0 H MET A 95 -16.817 3.146 -0.583 1.00 0.00 H new ATOM 0 HA MET A 95 -19.447 4.255 0.118 1.00 0.00 H new ATOM 0 HB2 MET A 95 -18.220 2.389 1.321 1.00 0.00 H new ATOM 0 HB3 MET A 95 -17.011 3.566 1.796 1.00 0.00 H new ATOM 0 HG2 MET A 95 -18.467 4.709 3.225 1.00 0.00 H new ATOM 0 HG3 MET A 95 -19.901 4.176 2.371 1.00 0.00 H new ATOM 0 HE1 MET A 95 -17.484 1.188 5.019 1.00 0.00 H new ATOM 0 HE2 MET A 95 -17.189 1.385 3.275 1.00 0.00 H new ATOM 0 HE3 MET A 95 -16.816 2.715 4.397 1.00 0.00 H new ATOM 1535 N ARG A 96 -18.981 6.610 0.807 1.00 0.00 N ATOM 1536 CA ARG A 96 -18.854 8.096 0.846 1.00 0.00 C ATOM 1537 C ARG A 96 -19.265 8.724 2.198 1.00 0.00 C ATOM 1538 O ARG A 96 -19.738 8.026 3.095 1.00 0.00 O ATOM 1539 CB ARG A 96 -19.637 8.766 -0.312 1.00 0.00 C ATOM 1540 CG ARG A 96 -19.482 8.153 -1.719 1.00 0.00 C ATOM 1541 CD ARG A 96 -20.768 7.474 -2.214 1.00 0.00 C ATOM 1542 NE ARG A 96 -21.142 6.330 -1.355 1.00 0.00 N ATOM 1543 CZ ARG A 96 -22.094 6.282 -0.430 1.00 0.00 C ATOM 1544 NH1 ARG A 96 -22.989 7.210 -0.288 1.00 0.00 N ATOM 1545 NH2 ARG A 96 -22.168 5.277 0.401 1.00 0.00 N ATOM 0 H ARG A 96 -19.891 6.281 1.130 1.00 0.00 H new ATOM 0 HA ARG A 96 -17.789 8.292 0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -20.696 8.755 -0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -19.333 9.811 -0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -19.195 8.935 -2.422 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -18.672 7.423 -1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -21.581 8.200 -2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -20.628 7.130 -3.239 1.00 0.00 H new ATOM 0 HE ARG A 96 -20.604 5.474 -1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -22.982 8.024 -0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -23.700 7.126 0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -21.490 4.517 0.344 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -22.904 5.252 1.107 1.00 0.00 H new ATOM 1559 N VAL A 97 -19.128 10.058 2.311 1.00 0.00 N ATOM 1560 CA VAL A 97 -19.462 10.877 3.509 1.00 0.00 C ATOM 1561 C VAL A 97 -20.504 11.980 3.260 1.00 0.00 C ATOM 1562 O VAL A 97 -21.243 12.356 4.168 1.00 0.00 O ATOM 1563 CB VAL A 97 -18.174 11.477 4.121 1.00 0.00 C ATOM 1564 CG1 VAL A 97 -17.610 12.672 3.340 1.00 0.00 C ATOM 1565 CG2 VAL A 97 -18.367 11.925 5.572 1.00 0.00 C ATOM 0 H VAL A 97 -18.768 10.625 1.544 1.00 0.00 H new ATOM 0 HA VAL A 97 -19.931 10.191 4.215 1.00 0.00 H new ATOM 0 HB VAL A 97 -17.462 10.654 4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -16.708 13.035 3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -17.368 12.361 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -18.353 13.469 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -17.433 12.338 5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -19.146 12.687 5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -18.660 11.070 6.181 1.00 0.00 H new ATOM 1575 N ASP A 98 -20.622 12.463 2.020 1.00 0.00 N ATOM 1576 CA ASP A 98 -21.567 13.520 1.607 1.00 0.00 C ATOM 1577 C ASP A 98 -22.975 12.983 1.260 1.00 0.00 C ATOM 1578 O ASP A 98 -23.836 13.733 0.796 1.00 0.00 O ATOM 1579 CB ASP A 98 -20.952 14.305 0.433 1.00 0.00 C ATOM 1580 CG ASP A 98 -19.875 15.288 0.916 1.00 0.00 C ATOM 1581 OD1 ASP A 98 -20.241 16.346 1.487 1.00 0.00 O ATOM 1582 OD2 ASP A 98 -18.667 15.023 0.713 1.00 0.00 O ATOM 0 H ASP A 98 -20.048 12.123 1.248 1.00 0.00 H new ATOM 0 HA ASP A 98 -21.722 14.185 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -20.516 13.608 -0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -21.736 14.851 -0.091 1.00 0.00 H new ATOM 1587 N ASN A 99 -23.219 11.683 1.492 1.00 0.00 N ATOM 1588 CA ASN A 99 -24.459 10.956 1.143 1.00 0.00 C ATOM 1589 C ASN A 99 -24.792 11.054 -0.353 1.00 0.00 C ATOM 1590 O ASN A 99 -25.951 11.051 -0.781 1.00 0.00 O ATOM 1591 CB ASN A 99 -25.595 11.306 2.129 1.00 0.00 C ATOM 1592 CG ASN A 99 -25.255 10.719 3.482 1.00 0.00 C ATOM 1593 OD1 ASN A 99 -25.746 9.669 3.881 1.00 0.00 O ATOM 1594 ND2 ASN A 99 -24.284 11.293 4.148 1.00 0.00 N ATOM 0 H ASN A 99 -22.532 11.081 1.946 1.00 0.00 H new ATOM 0 HA ASN A 99 -24.303 9.886 1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -25.712 12.387 2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -26.544 10.907 1.771 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -23.931 10.866 5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -23.880 12.167 3.810 1.00 0.00 H new ATOM 1601 N LEU A 100 -23.717 11.128 -1.140 1.00 0.00 N ATOM 1602 CA LEU A 100 -23.756 11.079 -2.608 1.00 0.00 C ATOM 1603 C LEU A 100 -24.199 9.692 -3.123 1.00 0.00 C ATOM 1604 O LEU A 100 -24.039 8.700 -2.406 1.00 0.00 O ATOM 1605 CB LEU A 100 -22.365 11.450 -3.161 1.00 0.00 C ATOM 1606 CG LEU A 100 -22.052 12.957 -3.107 1.00 0.00 C ATOM 1607 CD1 LEU A 100 -20.605 13.185 -3.532 1.00 0.00 C ATOM 1608 CD2 LEU A 100 -22.938 13.785 -4.042 1.00 0.00 C ATOM 0 H LEU A 100 -22.772 11.226 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 100 -24.495 11.798 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -21.605 10.911 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -22.294 11.111 -4.195 1.00 0.00 H new ATOM 0 HG LEU A 100 -22.237 13.277 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -20.379 14.251 -3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -19.939 12.649 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -20.462 12.819 -4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -22.670 14.838 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -22.792 13.453 -5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -23.984 13.654 -3.763 1.00 0.00 H new ATOM 1620 N PRO A 101 -24.707 9.591 -4.365 1.00 0.00 N ATOM 1621 CA PRO A 101 -25.071 8.313 -4.973 1.00 0.00 C ATOM 1622 C PRO A 101 -23.833 7.426 -5.184 1.00 0.00 C ATOM 1623 O PRO A 101 -22.729 7.915 -5.439 1.00 0.00 O ATOM 1624 CB PRO A 101 -25.771 8.673 -6.289 1.00 0.00 C ATOM 1625 CG PRO A 101 -25.194 10.039 -6.656 1.00 0.00 C ATOM 1626 CD PRO A 101 -24.921 10.687 -5.299 1.00 0.00 C ATOM 0 HA PRO A 101 -25.730 7.726 -4.334 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -25.568 7.933 -7.064 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -26.853 8.717 -6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -24.283 9.944 -7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -25.897 10.626 -7.247 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -24.046 11.336 -5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -25.761 11.307 -4.987 1.00 0.00 H new ATOM 1634 N ASN A 102 -24.011 6.108 -5.072 1.00 0.00 N ATOM 1635 CA ASN A 102 -22.947 5.123 -5.288 1.00 0.00 C ATOM 1636 C ASN A 102 -22.600 5.041 -6.793 1.00 0.00 C ATOM 1637 O ASN A 102 -23.469 4.717 -7.609 1.00 0.00 O ATOM 1638 CB ASN A 102 -23.407 3.767 -4.720 1.00 0.00 C ATOM 1639 CG ASN A 102 -23.751 3.820 -3.239 1.00 0.00 C ATOM 1640 OD1 ASN A 102 -24.913 3.806 -2.851 1.00 0.00 O ATOM 1641 ND2 ASN A 102 -22.775 3.894 -2.358 1.00 0.00 N ATOM 0 H ASN A 102 -24.908 5.689 -4.826 1.00 0.00 H new ATOM 0 HA ASN A 102 -22.036 5.420 -4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -24.280 3.425 -5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -22.620 3.029 -4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -22.990 3.939 -1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -21.805 3.906 -2.672 1.00 0.00 H new ATOM 1648 N ILE A 103 -21.348 5.358 -7.156 1.00 0.00 N ATOM 1649 CA ILE A 103 -20.876 5.474 -8.552 1.00 0.00 C ATOM 1650 C ILE A 103 -19.471 4.877 -8.737 1.00 0.00 C ATOM 1651 O ILE A 103 -18.524 5.231 -8.027 1.00 0.00 O ATOM 1652 CB ILE A 103 -20.967 6.934 -9.066 1.00 0.00 C ATOM 1653 CG1 ILE A 103 -20.299 7.977 -8.135 1.00 0.00 C ATOM 1654 CG2 ILE A 103 -22.440 7.297 -9.330 1.00 0.00 C ATOM 1655 CD1 ILE A 103 -20.399 9.417 -8.654 1.00 0.00 C ATOM 0 H ILE A 103 -20.614 5.546 -6.473 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.548 4.878 -9.170 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.397 6.974 -9.994 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -20.762 7.922 -7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -19.248 7.718 -8.008 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -22.503 8.323 -9.691 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -22.852 6.622 -10.080 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -23.009 7.202 -8.405 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -19.910 10.092 -7.951 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -19.910 9.488 -9.626 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -21.448 9.696 -8.754 1.00 0.00 H new ATOM 1667 N LYS A 104 -19.348 3.959 -9.706 1.00 0.00 N ATOM 1668 CA LYS A 104 -18.094 3.295 -10.105 1.00 0.00 C ATOM 1669 C LYS A 104 -17.337 4.077 -11.189 1.00 0.00 C ATOM 1670 O LYS A 104 -17.818 5.080 -11.720 1.00 0.00 O ATOM 1671 CB LYS A 104 -18.381 1.811 -10.453 1.00 0.00 C ATOM 1672 CG LYS A 104 -19.173 1.498 -11.741 1.00 0.00 C ATOM 1673 CD LYS A 104 -18.311 1.573 -13.013 1.00 0.00 C ATOM 1674 CE LYS A 104 -18.974 0.958 -14.253 1.00 0.00 C ATOM 1675 NZ LYS A 104 -18.000 0.843 -15.378 1.00 0.00 N ATOM 0 H LYS A 104 -20.148 3.645 -10.255 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.401 3.291 -9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -17.423 1.294 -10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -18.923 1.373 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.606 0.501 -11.661 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.003 2.199 -11.830 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.076 2.617 -13.219 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.365 1.064 -12.829 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -19.369 -0.028 -14.007 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -19.820 1.573 -14.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.471 1.092 -16.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -17.203 1.491 -15.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -17.647 -0.134 -15.433 1.00 0.00 H new ATOM 1689 N ILE A 105 -16.140 3.592 -11.529 1.00 0.00 N ATOM 1690 CA ILE A 105 -15.241 4.159 -12.551 1.00 0.00 C ATOM 1691 C ILE A 105 -15.835 3.993 -13.957 1.00 0.00 C ATOM 1692 O ILE A 105 -15.890 2.888 -14.503 1.00 0.00 O ATOM 1693 CB ILE A 105 -13.845 3.516 -12.437 1.00 0.00 C ATOM 1694 CG1 ILE A 105 -13.254 3.722 -11.022 1.00 0.00 C ATOM 1695 CG2 ILE A 105 -12.900 4.101 -13.500 1.00 0.00 C ATOM 1696 CD1 ILE A 105 -12.101 2.768 -10.707 1.00 0.00 C ATOM 0 H ILE A 105 -15.750 2.760 -11.085 1.00 0.00 H new ATOM 0 HA ILE A 105 -15.134 5.230 -12.376 1.00 0.00 H new ATOM 0 HB ILE A 105 -13.949 2.445 -12.609 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.903 4.750 -10.928 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -14.043 3.585 -10.282 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.918 3.638 -13.408 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.303 3.903 -14.493 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.809 5.177 -13.353 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.731 2.964 -9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.453 1.738 -10.770 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.296 2.921 -11.426 1.00 0.00 H new ATOM 1708 N ALA A 106 -16.308 5.092 -14.535 1.00 0.00 N ATOM 1709 CA ALA A 106 -16.918 5.134 -15.862 1.00 0.00 C ATOM 1710 C ALA A 106 -15.870 4.994 -16.987 1.00 0.00 C ATOM 1711 O ALA A 106 -16.097 4.251 -17.947 1.00 0.00 O ATOM 1712 CB ALA A 106 -17.724 6.438 -15.962 1.00 0.00 C ATOM 0 H ALA A 106 -16.277 6.005 -14.081 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.585 4.283 -15.996 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -18.194 6.501 -16.944 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -18.493 6.450 -15.190 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -17.057 7.289 -15.824 1.00 0.00 H new ATOM 1718 N THR A 107 -14.709 5.650 -16.847 1.00 0.00 N ATOM 1719 CA THR A 107 -13.572 5.625 -17.795 1.00 0.00 C ATOM 1720 C THR A 107 -12.230 5.877 -17.086 1.00 0.00 C ATOM 1721 O THR A 107 -12.189 6.350 -15.947 1.00 0.00 O ATOM 1722 CB THR A 107 -13.719 6.671 -18.926 1.00 0.00 C ATOM 1723 OG1 THR A 107 -14.045 7.950 -18.427 1.00 0.00 O ATOM 1724 CG2 THR A 107 -14.787 6.316 -19.962 1.00 0.00 C ATOM 0 H THR A 107 -14.523 6.240 -16.036 1.00 0.00 H new ATOM 0 HA THR A 107 -13.583 4.625 -18.227 1.00 0.00 H new ATOM 0 HB THR A 107 -12.739 6.673 -19.404 1.00 0.00 H new ATOM 0 HG1 THR A 107 -14.127 8.581 -19.172 1.00 0.00 H new ATOM 0 HG21 THR A 107 -14.831 7.096 -20.722 1.00 0.00 H new ATOM 0 HG22 THR A 107 -14.536 5.365 -20.432 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.757 6.233 -19.471 1.00 0.00 H new ATOM 1732 N ARG A 108 -11.117 5.592 -17.778 1.00 0.00 N ATOM 1733 CA ARG A 108 -9.735 5.744 -17.283 1.00 0.00 C ATOM 1734 C ARG A 108 -8.827 6.386 -18.342 1.00 0.00 C ATOM 1735 O ARG A 108 -8.954 6.053 -19.525 1.00 0.00 O ATOM 1736 CB ARG A 108 -9.219 4.348 -16.885 1.00 0.00 C ATOM 1737 CG ARG A 108 -7.798 4.361 -16.293 1.00 0.00 C ATOM 1738 CD ARG A 108 -7.298 2.941 -16.012 1.00 0.00 C ATOM 1739 NE ARG A 108 -7.019 2.192 -17.257 1.00 0.00 N ATOM 1740 CZ ARG A 108 -6.809 0.892 -17.374 1.00 0.00 C ATOM 1741 NH1 ARG A 108 -6.805 0.087 -16.348 1.00 0.00 N ATOM 1742 NH2 ARG A 108 -6.587 0.366 -18.545 1.00 0.00 N ATOM 0 H ARG A 108 -11.153 5.236 -18.733 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.724 6.409 -16.420 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.903 3.911 -16.157 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -9.232 3.701 -17.762 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.118 4.858 -16.985 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.792 4.940 -15.370 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.392 2.989 -15.408 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.044 2.404 -15.426 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.985 2.738 -18.118 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.968 0.455 -15.411 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.639 -0.910 -16.483 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.575 0.958 -19.376 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.425 -0.637 -18.631 1.00 0.00 H new ATOM 1756 N LYS A 109 -7.875 7.238 -17.928 1.00 0.00 N ATOM 1757 CA LYS A 109 -6.809 7.792 -18.791 1.00 0.00 C ATOM 1758 C LYS A 109 -5.471 7.838 -18.045 1.00 0.00 C ATOM 1759 O LYS A 109 -5.403 8.337 -16.924 1.00 0.00 O ATOM 1760 CB LYS A 109 -7.187 9.203 -19.288 1.00 0.00 C ATOM 1761 CG LYS A 109 -8.414 9.202 -20.217 1.00 0.00 C ATOM 1762 CD LYS A 109 -8.620 10.527 -20.968 1.00 0.00 C ATOM 1763 CE LYS A 109 -7.544 10.736 -22.044 1.00 0.00 C ATOM 1764 NZ LYS A 109 -7.809 11.945 -22.868 1.00 0.00 N ATOM 0 H LYS A 109 -7.820 7.570 -16.965 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.702 7.135 -19.654 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.388 9.843 -18.429 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.338 9.636 -19.816 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -8.309 8.396 -20.943 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -9.305 8.986 -19.628 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.606 10.534 -21.432 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -8.594 11.356 -20.260 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -6.568 10.828 -21.568 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -7.502 9.859 -22.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -7.060 12.050 -23.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -8.729 11.846 -23.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -7.824 12.786 -22.256 1.00 0.00 H new ATOM 1778 N TYR A 110 -4.400 7.333 -18.658 1.00 0.00 N ATOM 1779 CA TYR A 110 -3.044 7.446 -18.102 1.00 0.00 C ATOM 1780 C TYR A 110 -2.567 8.908 -18.110 1.00 0.00 C ATOM 1781 O TYR A 110 -2.675 9.587 -19.138 1.00 0.00 O ATOM 1782 CB TYR A 110 -2.069 6.561 -18.896 1.00 0.00 C ATOM 1783 CG TYR A 110 -0.643 6.550 -18.360 1.00 0.00 C ATOM 1784 CD1 TYR A 110 -0.406 6.409 -16.979 1.00 0.00 C ATOM 1785 CD2 TYR A 110 0.452 6.684 -19.238 1.00 0.00 C ATOM 1786 CE1 TYR A 110 0.906 6.428 -16.474 1.00 0.00 C ATOM 1787 CE2 TYR A 110 1.772 6.666 -18.738 1.00 0.00 C ATOM 1788 CZ TYR A 110 2.002 6.536 -17.351 1.00 0.00 C ATOM 1789 OH TYR A 110 3.270 6.522 -16.855 1.00 0.00 O ATOM 0 H TYR A 110 -4.443 6.837 -19.548 1.00 0.00 H new ATOM 0 HA TYR A 110 -3.069 7.103 -17.068 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.449 5.539 -18.902 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.051 6.901 -19.932 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.239 6.285 -16.302 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.280 6.801 -20.298 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.074 6.359 -15.409 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.607 6.752 -19.417 1.00 0.00 H new ATOM 0 HH TYR A 110 3.911 6.605 -17.592 1.00 0.00 H new ATOM 1799 N LEU A 111 -2.037 9.398 -16.983 1.00 0.00 N ATOM 1800 CA LEU A 111 -1.561 10.783 -16.858 1.00 0.00 C ATOM 1801 C LEU A 111 -0.052 10.901 -17.080 1.00 0.00 C ATOM 1802 O LEU A 111 0.410 11.839 -17.735 1.00 0.00 O ATOM 1803 CB LEU A 111 -1.891 11.291 -15.449 1.00 0.00 C ATOM 1804 CG LEU A 111 -3.390 11.386 -15.160 1.00 0.00 C ATOM 1805 CD1 LEU A 111 -3.606 11.540 -13.663 1.00 0.00 C ATOM 1806 CD2 LEU A 111 -4.012 12.573 -15.897 1.00 0.00 C ATOM 0 H LEU A 111 -1.926 8.847 -16.132 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.059 11.377 -17.624 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.431 10.627 -14.717 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.442 12.275 -15.314 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.872 10.474 -15.511 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.674 11.608 -13.455 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.189 10.677 -13.145 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.110 12.446 -13.315 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.078 12.620 -15.676 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.533 13.496 -15.570 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.869 12.450 -16.971 1.00 0.00 H new ATOM 1818 N GLY A 112 0.712 9.968 -16.507 1.00 0.00 N ATOM 1819 CA GLY A 112 2.174 9.977 -16.516 1.00 0.00 C ATOM 1820 C GLY A 112 2.784 9.472 -15.205 1.00 0.00 C ATOM 1821 O GLY A 112 2.175 8.686 -14.475 1.00 0.00 O ATOM 0 H GLY A 112 0.320 9.167 -16.012 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.531 9.357 -17.339 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.524 10.991 -16.706 1.00 0.00 H new ATOM 1825 N LYS A 113 3.984 9.963 -14.883 1.00 0.00 N ATOM 1826 CA LYS A 113 4.860 9.449 -13.806 1.00 0.00 C ATOM 1827 C LYS A 113 5.131 10.497 -12.724 1.00 0.00 C ATOM 1828 O LYS A 113 6.213 11.075 -12.598 1.00 0.00 O ATOM 1829 CB LYS A 113 6.132 8.870 -14.425 1.00 0.00 C ATOM 1830 CG LYS A 113 6.839 7.924 -13.442 1.00 0.00 C ATOM 1831 CD LYS A 113 8.009 7.165 -14.090 1.00 0.00 C ATOM 1832 CE LYS A 113 9.156 8.054 -14.601 1.00 0.00 C ATOM 1833 NZ LYS A 113 10.017 8.575 -13.503 1.00 0.00 N ATOM 0 H LYS A 113 4.394 10.756 -15.377 1.00 0.00 H new ATOM 0 HA LYS A 113 4.345 8.644 -13.281 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.884 8.331 -15.339 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.806 9.680 -14.705 1.00 0.00 H new ATOM 0 HG2 LYS A 113 7.209 8.499 -12.593 1.00 0.00 H new ATOM 0 HG3 LYS A 113 6.117 7.207 -13.051 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.412 6.460 -13.363 1.00 0.00 H new ATOM 0 HD3 LYS A 113 7.624 6.578 -14.924 1.00 0.00 H new ATOM 0 HE2 LYS A 113 9.770 7.483 -15.297 1.00 0.00 H new ATOM 0 HE3 LYS A 113 8.739 8.893 -15.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.772 9.167 -13.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.441 9.144 -12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.440 7.778 -12.986 1.00 0.00 H new ATOM 1847 N GLN A 114 4.066 10.784 -11.997 1.00 0.00 N ATOM 1848 CA GLN A 114 3.916 11.888 -11.054 1.00 0.00 C ATOM 1849 C GLN A 114 4.308 11.469 -9.635 1.00 0.00 C ATOM 1850 O GLN A 114 4.295 10.286 -9.281 1.00 0.00 O ATOM 1851 CB GLN A 114 2.465 12.388 -11.084 1.00 0.00 C ATOM 1852 CG GLN A 114 1.994 12.386 -12.539 1.00 0.00 C ATOM 1853 CD GLN A 114 0.751 13.165 -12.839 1.00 0.00 C ATOM 1854 OE1 GLN A 114 -0.008 13.631 -11.998 1.00 0.00 O ATOM 1855 NE2 GLN A 114 0.531 13.319 -14.116 1.00 0.00 N ATOM 0 H GLN A 114 3.222 10.214 -12.051 1.00 0.00 H new ATOM 0 HA GLN A 114 4.587 12.694 -11.353 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.828 11.745 -10.476 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.399 13.391 -10.664 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.800 12.778 -13.159 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.831 11.352 -12.844 1.00 0.00 H new ATOM 0 HE21 GLN A 114 1.178 12.921 -14.797 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.288 13.837 -14.434 1.00 0.00 H new ATOM 1864 N ASN A 115 4.606 12.453 -8.792 1.00 0.00 N ATOM 1865 CA ASN A 115 4.781 12.258 -7.376 1.00 0.00 C ATOM 1866 C ASN A 115 3.463 11.847 -6.709 1.00 0.00 C ATOM 1867 O ASN A 115 2.480 12.592 -6.746 1.00 0.00 O ATOM 1868 CB ASN A 115 5.379 13.547 -6.779 1.00 0.00 C ATOM 1869 CG ASN A 115 6.426 13.224 -5.738 1.00 0.00 C ATOM 1870 OD1 ASN A 115 7.506 13.797 -5.705 1.00 0.00 O ATOM 1871 ND2 ASN A 115 6.175 12.263 -4.883 1.00 0.00 N ATOM 0 H ASN A 115 4.733 13.421 -9.089 1.00 0.00 H new ATOM 0 HA ASN A 115 5.473 11.437 -7.188 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.823 14.148 -7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.587 14.146 -6.330 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.879 11.996 -4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.276 11.782 -4.906 1.00 0.00 H new ATOM 1878 N VAL A 116 3.470 10.676 -6.064 1.00 0.00 N ATOM 1879 CA VAL A 116 2.331 10.185 -5.278 1.00 0.00 C ATOM 1880 C VAL A 116 2.720 9.945 -3.819 1.00 0.00 C ATOM 1881 O VAL A 116 3.863 9.601 -3.505 1.00 0.00 O ATOM 1882 CB VAL A 116 1.671 8.953 -5.924 1.00 0.00 C ATOM 1883 CG1 VAL A 116 0.977 9.304 -7.236 1.00 0.00 C ATOM 1884 CG2 VAL A 116 2.646 7.809 -6.220 1.00 0.00 C ATOM 0 H VAL A 116 4.267 10.040 -6.072 1.00 0.00 H new ATOM 0 HA VAL A 116 1.574 10.969 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 116 0.952 8.619 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.524 8.407 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.203 10.048 -7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.707 9.707 -7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.105 6.978 -6.674 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.418 8.157 -6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.109 7.476 -5.291 1.00 0.00 H new ATOM 1894 N TYR A 117 1.747 10.145 -2.934 1.00 0.00 N ATOM 1895 CA TYR A 117 1.899 10.195 -1.483 1.00 0.00 C ATOM 1896 C TYR A 117 0.719 9.518 -0.758 1.00 0.00 C ATOM 1897 O TYR A 117 -0.381 9.393 -1.300 1.00 0.00 O ATOM 1898 CB TYR A 117 1.954 11.663 -1.053 1.00 0.00 C ATOM 1899 CG TYR A 117 2.875 12.580 -1.838 1.00 0.00 C ATOM 1900 CD1 TYR A 117 2.369 13.281 -2.953 1.00 0.00 C ATOM 1901 CD2 TYR A 117 4.198 12.796 -1.408 1.00 0.00 C ATOM 1902 CE1 TYR A 117 3.168 14.238 -3.609 1.00 0.00 C ATOM 1903 CE2 TYR A 117 4.996 13.757 -2.056 1.00 0.00 C ATOM 1904 CZ TYR A 117 4.478 14.497 -3.143 1.00 0.00 C ATOM 1905 OH TYR A 117 5.244 15.453 -3.733 1.00 0.00 O ATOM 0 H TYR A 117 0.780 10.284 -3.226 1.00 0.00 H new ATOM 0 HA TYR A 117 2.812 9.663 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.944 12.070 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.254 11.698 -0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 117 1.367 13.084 -3.304 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.599 12.226 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 117 2.782 14.772 -4.465 1.00 0.00 H new ATOM 0 HE2 TYR A 117 6.008 13.930 -1.721 1.00 0.00 H new ATOM 0 HH TYR A 117 6.114 15.497 -3.285 1.00 0.00 H new ATOM 1915 N ASP A 118 0.951 9.097 0.481 1.00 0.00 N ATOM 1916 CA ASP A 118 -0.026 8.423 1.351 1.00 0.00 C ATOM 1917 C ASP A 118 0.201 8.732 2.859 1.00 0.00 C ATOM 1918 O ASP A 118 1.250 9.235 3.255 1.00 0.00 O ATOM 1919 CB ASP A 118 0.022 6.921 1.024 1.00 0.00 C ATOM 1920 CG ASP A 118 -0.807 6.076 2.001 1.00 0.00 C ATOM 1921 OD1 ASP A 118 -2.009 6.397 2.179 1.00 0.00 O ATOM 1922 OD2 ASP A 118 -0.230 5.148 2.618 1.00 0.00 O ATOM 0 H ASP A 118 1.858 9.217 0.931 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.028 8.804 1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.345 6.762 0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.058 6.582 1.045 1.00 0.00 H new ATOM 1927 N ILE A 119 -0.773 8.426 3.721 1.00 0.00 N ATOM 1928 CA ILE A 119 -0.730 8.607 5.182 1.00 0.00 C ATOM 1929 C ILE A 119 -1.307 7.381 5.909 1.00 0.00 C ATOM 1930 O ILE A 119 -2.165 6.663 5.385 1.00 0.00 O ATOM 1931 CB ILE A 119 -1.475 9.889 5.640 1.00 0.00 C ATOM 1932 CG1 ILE A 119 -2.953 9.906 5.179 1.00 0.00 C ATOM 1933 CG2 ILE A 119 -0.713 11.147 5.186 1.00 0.00 C ATOM 1934 CD1 ILE A 119 -3.791 11.072 5.717 1.00 0.00 C ATOM 0 H ILE A 119 -1.657 8.026 3.408 1.00 0.00 H new ATOM 0 HA ILE A 119 0.321 8.719 5.448 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.500 9.886 6.730 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.977 9.935 4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.423 8.971 5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.250 12.036 5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.286 11.144 5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.635 11.153 4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.810 10.994 5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.806 11.037 6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.354 12.015 5.391 1.00 0.00 H new ATOM 1946 N GLY A 120 -0.860 7.166 7.146 1.00 0.00 N ATOM 1947 CA GLY A 120 -1.331 6.074 8.008 1.00 0.00 C ATOM 1948 C GLY A 120 -1.608 6.490 9.454 1.00 0.00 C ATOM 1949 O GLY A 120 -1.217 7.576 9.897 1.00 0.00 O ATOM 0 H GLY A 120 -0.151 7.752 7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -2.243 5.657 7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -0.586 5.279 8.007 1.00 0.00 H new ATOM 1953 N VAL A 121 -2.291 5.614 10.196 1.00 0.00 N ATOM 1954 CA VAL A 121 -2.764 5.860 11.571 1.00 0.00 C ATOM 1955 C VAL A 121 -2.429 4.665 12.481 1.00 0.00 C ATOM 1956 O VAL A 121 -2.209 3.545 12.020 1.00 0.00 O ATOM 1957 CB VAL A 121 -4.272 6.225 11.620 1.00 0.00 C ATOM 1958 CG1 VAL A 121 -4.568 7.028 12.894 1.00 0.00 C ATOM 1959 CG2 VAL A 121 -4.737 7.054 10.410 1.00 0.00 C ATOM 0 H VAL A 121 -2.540 4.687 9.852 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.231 6.731 11.952 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.816 5.281 11.606 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.627 7.283 12.926 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.312 6.430 13.769 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -3.975 7.942 12.894 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.800 7.275 10.507 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.175 7.987 10.370 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.566 6.488 9.494 1.00 0.00 H new ATOM 2037 N ASN A 126 -7.122 4.174 6.642 1.00 0.00 N ATOM 2038 CA ASN A 126 -8.079 4.706 5.670 1.00 0.00 C ATOM 2039 C ASN A 126 -8.655 6.082 6.058 1.00 0.00 C ATOM 2040 O ASN A 126 -8.610 6.491 7.223 1.00 0.00 O ATOM 2041 CB ASN A 126 -9.178 3.649 5.444 1.00 0.00 C ATOM 2042 CG ASN A 126 -10.134 3.554 6.619 1.00 0.00 C ATOM 2043 OD1 ASN A 126 -11.246 4.249 6.561 1.00 0.00 O flip ATOM 2044 ND2 ASN A 126 -9.874 2.886 7.610 1.00 0.00 N flip ATOM 0 HA ASN A 126 -7.552 4.896 4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.738 3.897 4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.715 2.677 5.275 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -9.008 2.348 7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -10.523 2.867 8.397 1.00 0.00 H new ATOM 2051 N PHE A 127 -9.203 6.786 5.064 1.00 0.00 N ATOM 2052 CA PHE A 127 -9.711 8.162 5.179 1.00 0.00 C ATOM 2053 C PHE A 127 -10.670 8.529 4.031 1.00 0.00 C ATOM 2054 O PHE A 127 -10.638 7.917 2.962 1.00 0.00 O ATOM 2055 CB PHE A 127 -8.530 9.152 5.221 1.00 0.00 C ATOM 2056 CG PHE A 127 -7.461 8.931 4.162 1.00 0.00 C ATOM 2057 CD1 PHE A 127 -7.621 9.451 2.863 1.00 0.00 C ATOM 2058 CD2 PHE A 127 -6.311 8.177 4.475 1.00 0.00 C ATOM 2059 CE1 PHE A 127 -6.641 9.208 1.883 1.00 0.00 C ATOM 2060 CE2 PHE A 127 -5.339 7.929 3.492 1.00 0.00 C ATOM 2061 CZ PHE A 127 -5.502 8.444 2.195 1.00 0.00 C ATOM 0 H PHE A 127 -9.310 6.404 4.124 1.00 0.00 H new ATOM 0 HA PHE A 127 -10.280 8.226 6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.921 10.164 5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -8.062 9.093 6.204 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -8.495 10.036 2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -6.177 7.789 5.474 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -6.764 9.609 0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.465 7.342 3.733 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.754 8.254 1.439 1.00 0.00 H new ATOM 2071 N ALA A 128 -11.511 9.547 4.249 1.00 0.00 N ATOM 2072 CA ALA A 128 -12.460 10.073 3.266 1.00 0.00 C ATOM 2073 C ALA A 128 -11.832 11.192 2.409 1.00 0.00 C ATOM 2074 O ALA A 128 -11.274 12.164 2.929 1.00 0.00 O ATOM 2075 CB ALA A 128 -13.698 10.584 4.013 1.00 0.00 C ATOM 0 H ALA A 128 -11.550 10.040 5.141 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.743 9.276 2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -14.417 10.980 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -14.153 9.763 4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -13.405 11.372 4.707 1.00 0.00 H new ATOM 2081 N LEU A 129 -11.943 11.059 1.087 1.00 0.00 N ATOM 2082 CA LEU A 129 -11.536 12.064 0.096 1.00 0.00 C ATOM 2083 C LEU A 129 -12.475 13.288 0.046 1.00 0.00 C ATOM 2084 O LEU A 129 -13.533 13.304 0.676 1.00 0.00 O ATOM 2085 CB LEU A 129 -11.457 11.355 -1.270 1.00 0.00 C ATOM 2086 CG LEU A 129 -10.223 10.435 -1.376 1.00 0.00 C ATOM 2087 CD1 LEU A 129 -10.365 9.373 -2.462 1.00 0.00 C ATOM 2088 CD2 LEU A 129 -9.011 11.278 -1.749 1.00 0.00 C ATOM 0 H LEU A 129 -12.332 10.219 0.658 1.00 0.00 H new ATOM 0 HA LEU A 129 -10.566 12.472 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -12.361 10.767 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -11.422 12.101 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 129 -10.118 9.941 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -9.466 8.757 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -11.229 8.745 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -10.501 9.857 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.132 10.638 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -9.189 11.768 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -8.843 12.033 -0.981 1.00 0.00 H new ATOM 2100 N LYS A 130 -12.123 14.300 -0.762 1.00 0.00 N ATOM 2101 CA LYS A 130 -12.929 15.518 -1.018 1.00 0.00 C ATOM 2102 C LYS A 130 -14.396 15.297 -1.425 1.00 0.00 C ATOM 2103 O LYS A 130 -15.260 16.074 -1.020 1.00 0.00 O ATOM 2104 CB LYS A 130 -12.211 16.420 -2.041 1.00 0.00 C ATOM 2105 CG LYS A 130 -11.808 15.718 -3.354 1.00 0.00 C ATOM 2106 CD LYS A 130 -11.243 16.692 -4.402 1.00 0.00 C ATOM 2107 CE LYS A 130 -12.306 17.589 -5.056 1.00 0.00 C ATOM 2108 NZ LYS A 130 -13.137 16.846 -6.045 1.00 0.00 N ATOM 0 H LYS A 130 -11.241 14.299 -1.275 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.001 16.007 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -12.861 17.262 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -11.315 16.831 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -11.063 14.952 -3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -12.677 15.208 -3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -10.491 17.323 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -10.736 16.120 -5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -12.951 18.008 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -11.817 18.427 -5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -13.524 17.512 -6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -12.549 16.138 -6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -13.918 16.368 -5.552 1.00 0.00 H new ATOM 2122 N ASN A 131 -14.680 14.241 -2.196 1.00 0.00 N ATOM 2123 CA ASN A 131 -16.046 13.820 -2.564 1.00 0.00 C ATOM 2124 C ASN A 131 -16.625 12.758 -1.605 1.00 0.00 C ATOM 2125 O ASN A 131 -17.777 12.346 -1.742 1.00 0.00 O ATOM 2126 CB ASN A 131 -16.018 13.283 -4.007 1.00 0.00 C ATOM 2127 CG ASN A 131 -15.991 14.368 -5.068 1.00 0.00 C ATOM 2128 OD1 ASN A 131 -16.705 15.360 -5.009 1.00 0.00 O ATOM 2129 ND2 ASN A 131 -15.172 14.217 -6.088 1.00 0.00 N ATOM 0 H ASN A 131 -13.956 13.641 -2.591 1.00 0.00 H new ATOM 0 HA ASN A 131 -16.702 14.687 -2.487 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -15.142 12.647 -4.130 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -16.894 12.654 -4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.136 14.924 -6.822 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -14.574 13.393 -6.144 1.00 0.00 H new ATOM 2136 N GLY A 132 -15.823 12.276 -0.655 1.00 0.00 N ATOM 2137 CA GLY A 132 -16.215 11.314 0.374 1.00 0.00 C ATOM 2138 C GLY A 132 -15.619 9.924 0.197 1.00 0.00 C ATOM 2139 O GLY A 132 -15.575 9.177 1.170 1.00 0.00 O ATOM 0 H GLY A 132 -14.845 12.556 -0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -15.918 11.702 1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -17.302 11.232 0.382 1.00 0.00 H new ATOM 2143 N PHE A 133 -15.169 9.579 -1.014 1.00 0.00 N ATOM 2144 CA PHE A 133 -14.695 8.235 -1.371 1.00 0.00 C ATOM 2145 C PHE A 133 -13.608 7.748 -0.405 1.00 0.00 C ATOM 2146 O PHE A 133 -12.676 8.497 -0.101 1.00 0.00 O ATOM 2147 CB PHE A 133 -14.181 8.226 -2.820 1.00 0.00 C ATOM 2148 CG PHE A 133 -15.127 8.816 -3.849 1.00 0.00 C ATOM 2149 CD1 PHE A 133 -16.470 8.396 -3.905 1.00 0.00 C ATOM 2150 CD2 PHE A 133 -14.667 9.801 -4.742 1.00 0.00 C ATOM 2151 CE1 PHE A 133 -17.359 8.994 -4.815 1.00 0.00 C ATOM 2152 CE2 PHE A 133 -15.550 10.378 -5.674 1.00 0.00 C ATOM 2153 CZ PHE A 133 -16.902 9.995 -5.688 1.00 0.00 C ATOM 0 H PHE A 133 -15.123 10.239 -1.790 1.00 0.00 H new ATOM 0 HA PHE A 133 -15.535 7.545 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -13.241 8.776 -2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -13.959 7.197 -3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -16.818 7.613 -3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -13.634 10.115 -4.712 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -18.393 8.684 -4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -15.189 11.114 -6.377 1.00 0.00 H new ATOM 0 HZ PHE A 133 -17.590 10.471 -6.371 1.00 0.00 H new ATOM 2163 N ILE A 134 -13.707 6.509 0.087 1.00 0.00 N ATOM 2164 CA ILE A 134 -12.694 5.989 1.009 1.00 0.00 C ATOM 2165 C ILE A 134 -11.478 5.467 0.246 1.00 0.00 C ATOM 2166 O ILE A 134 -11.578 4.610 -0.633 1.00 0.00 O ATOM 2167 CB ILE A 134 -13.215 4.879 1.929 1.00 0.00 C ATOM 2168 CG1 ILE A 134 -14.624 5.100 2.494 1.00 0.00 C ATOM 2169 CG2 ILE A 134 -12.224 4.654 3.088 1.00 0.00 C ATOM 2170 CD1 ILE A 134 -14.903 6.427 3.209 1.00 0.00 C ATOM 0 H ILE A 134 -14.462 5.859 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 134 -12.414 6.834 1.638 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.294 3.997 1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -15.334 5.006 1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -14.836 4.291 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -12.599 3.864 3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -11.254 4.363 2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -12.118 5.576 3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -15.936 6.444 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -14.233 6.528 4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -14.738 7.254 2.518 1.00 0.00 H new ATOM 2182 N ALA A 135 -10.322 5.920 0.695 1.00 0.00 N ATOM 2183 CA ALA A 135 -8.990 5.465 0.306 1.00 0.00 C ATOM 2184 C ALA A 135 -8.366 4.682 1.478 1.00 0.00 C ATOM 2185 O ALA A 135 -8.578 5.064 2.631 1.00 0.00 O ATOM 2186 CB ALA A 135 -8.196 6.728 -0.048 1.00 0.00 C ATOM 0 H ALA A 135 -10.281 6.667 1.389 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.001 4.790 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.186 6.450 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.688 7.249 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -8.149 7.384 0.821 1.00 0.00 H new ATOM 2192 N SER A 136 -7.637 3.588 1.214 1.00 0.00 N ATOM 2193 CA SER A 136 -7.075 2.695 2.247 1.00 0.00 C ATOM 2194 C SER A 136 -5.727 2.069 1.843 1.00 0.00 C ATOM 2195 O SER A 136 -5.581 1.583 0.718 1.00 0.00 O ATOM 2196 CB SER A 136 -8.080 1.570 2.547 1.00 0.00 C ATOM 2197 OG SER A 136 -7.707 0.832 3.700 1.00 0.00 O ATOM 0 H SER A 136 -7.416 3.291 0.264 1.00 0.00 H new ATOM 0 HA SER A 136 -6.892 3.308 3.129 1.00 0.00 H new ATOM 0 HB2 SER A 136 -9.072 1.997 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 136 -8.144 0.900 1.690 1.00 0.00 H new ATOM 0 HG SER A 136 -8.367 0.126 3.864 1.00 0.00 H new ATOM 2203 N ASN A 137 -4.786 1.970 2.794 1.00 0.00 N ATOM 2204 CA ASN A 137 -3.389 1.528 2.588 1.00 0.00 C ATOM 2205 C ASN A 137 -2.636 2.273 1.448 1.00 0.00 C ATOM 2206 O ASN A 137 -3.031 3.402 1.081 1.00 0.00 O ATOM 2207 CB ASN A 137 -3.318 -0.005 2.390 1.00 0.00 C ATOM 2208 CG ASN A 137 -4.216 -0.857 3.271 1.00 0.00 C ATOM 2209 OD1 ASN A 137 -3.878 -1.224 4.389 1.00 0.00 O ATOM 2210 ND2 ASN A 137 -5.371 -1.240 2.767 1.00 0.00 N ATOM 0 H ASN A 137 -4.980 2.204 3.768 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.863 1.799 3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.558 -0.224 1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.287 -0.320 2.552 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.988 -1.845 3.309 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.648 -0.932 1.835 1.00 0.00 H new