USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 915 hydrogens (14 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 NoAdj-H: B 121 PTR HN2 : B 121 PTR N : B 120 ASP C :(H bumps) USER MOD NoAdj-H: B 121 PTR H : B 121 PTR N : B 120 ASP C :(H bumps) USER MOD Set 1.1: A 92 GLN :FLIP amide:sc= 0 F(o=-2.1!,f=-0.087) USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= -0.0872 USER MOD Set 2.1: A 48 SER OG : rot 153:sc= -6.64! USER MOD Set 2.2: A 63 HIS : no HE2:sc= -16.1! C(o=-23!,f=-23!) USER MOD Set 3.1: A 44 THR OG1 : rot 63:sc= -4.95! USER MOD Set 3.2: A 46 THR OG1 : rot 90:sc= -8.65! USER MOD Set 3.3: A 65 HIS :FLIP no HD1:sc= -19.6! C(o=-37!,f=-33!) USER MOD Set 4.1: A 30 LYS NZ :NH3+ 148:sc= -1.23! (180deg=-2.99!) USER MOD Set 4.2: A 107 TYR OH : rot 180:sc= 0.0913 USER MOD Set 5.1: A 5 ASN :FLIP amide:sc= -0.55 F(o=-2.6!,f=-0.73) USER MOD Set 5.2: A 9 TYR OH : rot 180:sc= -0.178 USER MOD Single : A 4 ASN : amide:sc= -5.29! C(o=-5.3!,f=-5!) USER MOD Single : A 8 THR OG1 : rot -35:sc= 0.627 USER MOD Single : A 12 TYR OH : rot 118:sc= -10.8! USER MOD Single : A 13 ASN : amide:sc= -5.86! C(o=-5.9!,f=-8.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 24:sc= -1.97! USER MOD Single : A 17 SER OG : rot 8:sc= -0.177! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= -0.0177 (180deg=-0.0177) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0771) USER MOD Single : A 28 THR OG1 : rot -79:sc= -4.23! USER MOD Single : A 35 MET CE :methyl 155:sc= -25.6! (180deg=-30.2!) USER MOD Single : A 39 SER OG : rot 51:sc= -0.774! USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0335 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -170:sc= -0.0935 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.033 USER MOD Single : A 58 ASN :FLIP amide:sc= 0.831 F(o=-0.98,f=0.83) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -137:sc= 1.91 (180deg=-3.34!) USER MOD Single : A 64 TYR OH : rot -40:sc= -8.54! USER MOD Single : A 67 LYS NZ :NH3+ 149:sc= -6.42! (180deg=-8.19!) USER MOD Single : A 69 THR OG1 : rot -78:sc= -8.71! USER MOD Single : A 70 ASN : amide:sc= -0.0535 X(o=-0.053,f=-0.053) USER MOD Single : A 72 SER OG : rot -25:sc= 0.0894! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 69:sc= 1.13 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 173:sc= -5.34! (180deg=-5.99!) USER MOD Single : A 82 TYR OH : rot 172:sc= 0.754! USER MOD Single : A 86 SER OG : rot 28:sc= 0.278 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS :FLIP no HE2:sc= -18.4! C(o=-23!,f=-18!) USER MOD Single : A 95 GLN :FLIP amide:sc= -4.72! C(o=-6.9!,f=-4.7!) USER MOD Single : A 97 ASN : amide:sc= -8.24! C(o=-8.2!,f=-8.6!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -57:sc= -8.84! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -3.373 16.107 4.980 1.00 0.00 C HETATM 2 O ACE A 3 -4.000 15.902 3.941 1.00 0.00 O HETATM 3 CH3 ACE A 3 -3.177 17.508 5.500 1.00 0.00 C HETATM 0 H1 ACE A 3 -3.618 17.593 6.493 1.00 0.00 H new HETATM 0 H2 ACE A 3 -2.111 17.729 5.557 1.00 0.00 H new HETATM 0 H3 ACE A 3 -3.660 18.217 4.827 1.00 0.00 H new ATOM 7 N ASN A 4 -2.832 15.131 5.703 1.00 0.00 N ATOM 8 CA ASN A 4 -2.947 13.733 5.309 1.00 0.00 C ATOM 9 C ASN A 4 -2.568 12.810 6.462 1.00 0.00 C ATOM 10 O ASN A 4 -1.482 12.232 6.477 1.00 0.00 O ATOM 11 CB ASN A 4 -2.058 13.447 4.098 1.00 0.00 C ATOM 12 CG ASN A 4 -1.284 14.670 3.645 1.00 0.00 C ATOM 13 OD1 ASN A 4 -0.083 14.783 3.885 1.00 0.00 O ATOM 14 ND2 ASN A 4 -1.974 15.593 2.984 1.00 0.00 N ATOM 0 H ASN A 4 -2.309 15.284 6.565 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.986 13.542 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.358 12.649 4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.675 13.086 3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.508 16.438 2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.969 15.457 2.808 1.00 0.00 H new ATOM 21 N ASN A 5 -3.470 12.678 7.430 1.00 0.00 N ATOM 22 CA ASN A 5 -3.232 11.828 8.588 1.00 0.00 C ATOM 23 C ASN A 5 -3.344 10.353 8.217 1.00 0.00 C ATOM 24 O ASN A 5 -3.917 9.557 8.960 1.00 0.00 O ATOM 25 CB ASN A 5 -4.226 12.161 9.703 1.00 0.00 C ATOM 26 CG ASN A 5 -5.635 12.356 9.181 1.00 0.00 C ATOM 27 OD1 ASN A 5 -6.088 11.436 8.337 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -6.311 13.324 9.533 1.00 0.00 N flip ATOM 0 H ASN A 5 -4.374 13.151 7.434 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.219 12.018 8.942 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.223 11.359 10.441 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.903 13.067 10.216 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.923 14.007 10.184 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.258 13.442 9.174 1.00 0.00 H new ATOM 35 N LEU A 6 -2.792 9.993 7.062 1.00 0.00 N ATOM 36 CA LEU A 6 -2.830 8.613 6.593 1.00 0.00 C ATOM 37 C LEU A 6 -1.740 7.784 7.264 1.00 0.00 C ATOM 38 O LEU A 6 -1.957 6.634 7.648 1.00 0.00 O ATOM 39 CB LEU A 6 -2.685 8.570 5.067 1.00 0.00 C ATOM 40 CG LEU A 6 -1.536 7.711 4.535 1.00 0.00 C ATOM 41 CD1 LEU A 6 -1.464 6.393 5.284 1.00 0.00 C ATOM 42 CD2 LEU A 6 -1.702 7.469 3.040 1.00 0.00 C ATOM 0 H LEU A 6 -2.313 10.638 6.434 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.794 8.181 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.618 8.200 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.551 9.589 4.704 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.601 8.247 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.641 5.796 4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.299 6.586 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.400 5.850 5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.877 6.856 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.645 6.953 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.703 8.424 2.515 1.00 0.00 H new ATOM 54 N GLU A 7 -0.567 8.378 7.397 1.00 0.00 N ATOM 55 CA GLU A 7 0.572 7.714 8.015 1.00 0.00 C ATOM 56 C GLU A 7 0.254 7.295 9.446 1.00 0.00 C ATOM 57 O GLU A 7 0.987 6.512 10.050 1.00 0.00 O ATOM 58 CB GLU A 7 1.795 8.635 8.003 1.00 0.00 C ATOM 59 CG GLU A 7 1.642 9.837 7.087 1.00 0.00 C ATOM 60 CD GLU A 7 2.880 10.712 7.061 1.00 0.00 C ATOM 61 OE1 GLU A 7 3.522 10.861 8.122 1.00 0.00 O ATOM 62 OE2 GLU A 7 3.207 11.246 5.981 1.00 0.00 O ATOM 0 H GLU A 7 -0.376 9.329 7.082 1.00 0.00 H new ATOM 0 HA GLU A 7 0.792 6.818 7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.987 8.984 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.668 8.061 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.423 9.493 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.788 10.431 7.413 1.00 0.00 H new ATOM 69 N THR A 8 -0.835 7.826 9.988 1.00 0.00 N ATOM 70 CA THR A 8 -1.237 7.508 11.353 1.00 0.00 C ATOM 71 C THR A 8 -2.131 6.273 11.397 1.00 0.00 C ATOM 72 O THR A 8 -2.534 5.830 12.473 1.00 0.00 O ATOM 73 CB THR A 8 -1.958 8.699 11.986 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.301 8.419 13.332 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.228 9.084 11.259 1.00 0.00 C ATOM 0 H THR A 8 -1.454 8.477 9.505 1.00 0.00 H new ATOM 0 HA THR A 8 -0.334 7.292 11.923 1.00 0.00 H new ATOM 0 HB THR A 8 -1.256 9.530 11.922 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.527 7.470 13.421 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.690 9.935 11.759 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.991 9.353 10.230 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.920 8.241 11.264 1.00 0.00 H new ATOM 83 N TYR A 9 -2.437 5.718 10.230 1.00 0.00 N ATOM 84 CA TYR A 9 -3.279 4.538 10.156 1.00 0.00 C ATOM 85 C TYR A 9 -2.456 3.274 10.351 1.00 0.00 C ATOM 86 O TYR A 9 -1.237 3.336 10.513 1.00 0.00 O ATOM 87 CB TYR A 9 -4.009 4.483 8.819 1.00 0.00 C ATOM 88 CG TYR A 9 -5.069 5.546 8.669 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.734 6.825 8.251 1.00 0.00 C ATOM 90 CD2 TYR A 9 -6.400 5.273 8.948 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.694 7.804 8.113 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.369 6.245 8.811 1.00 0.00 C ATOM 93 CZ TYR A 9 -7.013 7.512 8.394 1.00 0.00 C ATOM 94 OH TYR A 9 -7.975 8.486 8.255 1.00 0.00 O ATOM 0 H TYR A 9 -2.114 6.067 9.327 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.016 4.600 10.957 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.283 4.589 8.013 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.471 3.502 8.706 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.703 7.058 8.030 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.682 4.284 9.278 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.415 8.795 7.786 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.402 6.016 9.029 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.851 8.116 8.491 1.00 0.00 H new ATOM 104 N GLU A 10 -3.126 2.127 10.345 1.00 0.00 N ATOM 105 CA GLU A 10 -2.440 0.858 10.534 1.00 0.00 C ATOM 106 C GLU A 10 -1.834 0.367 9.241 1.00 0.00 C ATOM 107 O GLU A 10 -1.814 -0.840 9.004 1.00 0.00 O ATOM 108 CB GLU A 10 -3.419 -0.194 11.054 1.00 0.00 C ATOM 109 CG GLU A 10 -4.875 0.231 10.952 1.00 0.00 C ATOM 110 CD GLU A 10 -5.215 1.376 11.886 1.00 0.00 C ATOM 111 OE1 GLU A 10 -4.921 1.265 13.095 1.00 0.00 O ATOM 112 OE2 GLU A 10 -5.776 2.385 11.409 1.00 0.00 O ATOM 0 H GLU A 10 -4.135 2.051 10.212 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.642 1.017 11.259 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.278 -1.118 10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.185 -0.414 12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.092 0.527 9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.515 -0.621 11.180 1.00 0.00 H new ATOM 119 N TRP A 11 -1.356 1.257 8.364 1.00 0.00 N ATOM 120 CA TRP A 11 -0.818 0.724 7.121 1.00 0.00 C ATOM 121 C TRP A 11 0.361 1.500 6.586 1.00 0.00 C ATOM 122 O TRP A 11 1.186 0.954 5.853 1.00 0.00 O ATOM 123 CB TRP A 11 -1.927 0.644 6.079 1.00 0.00 C ATOM 124 CG TRP A 11 -3.097 1.530 6.387 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.107 1.294 7.273 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.367 2.796 5.803 1.00 0.00 C ATOM 127 NE1 TRP A 11 -4.997 2.343 7.260 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.558 3.278 6.362 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.713 3.566 4.856 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.104 4.501 5.993 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.251 4.780 4.491 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.439 5.238 5.060 1.00 0.00 C ATOM 0 H TRP A 11 -1.331 2.270 8.479 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.437 -0.273 7.343 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.521 0.916 5.105 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.271 -0.387 6.004 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.195 0.414 7.893 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.843 2.412 7.825 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.793 3.219 4.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.025 4.856 6.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.746 5.386 3.754 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.839 6.194 4.756 1.00 0.00 H new ATOM 143 N TYR A 12 0.451 2.779 6.939 1.00 0.00 N ATOM 144 CA TYR A 12 1.547 3.602 6.464 1.00 0.00 C ATOM 145 C TYR A 12 2.862 3.207 7.121 1.00 0.00 C ATOM 146 O TYR A 12 2.986 3.206 8.345 1.00 0.00 O ATOM 147 CB TYR A 12 1.278 5.084 6.694 1.00 0.00 C ATOM 148 CG TYR A 12 1.963 5.937 5.659 1.00 0.00 C ATOM 149 CD1 TYR A 12 3.056 5.437 4.974 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.524 7.218 5.350 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.699 6.172 4.012 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.162 7.970 4.381 1.00 0.00 C ATOM 153 CZ TYR A 12 3.250 7.442 3.713 1.00 0.00 C ATOM 154 OH TYR A 12 3.889 8.187 2.748 1.00 0.00 O ATOM 0 H TYR A 12 -0.215 3.259 7.545 1.00 0.00 H new ATOM 0 HA TYR A 12 1.627 3.430 5.391 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.204 5.268 6.666 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.624 5.368 7.688 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.411 4.443 5.203 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.674 7.632 5.873 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.551 5.760 3.492 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.812 8.965 4.148 1.00 0.00 H new ATOM 0 HH TYR A 12 3.263 8.385 2.020 1.00 0.00 H new ATOM 164 N ASN A 13 3.836 2.866 6.290 1.00 0.00 N ATOM 165 CA ASN A 13 5.147 2.455 6.764 1.00 0.00 C ATOM 166 C ASN A 13 6.235 3.392 6.235 1.00 0.00 C ATOM 167 O ASN A 13 6.531 3.399 5.043 1.00 0.00 O ATOM 168 CB ASN A 13 5.404 1.030 6.299 1.00 0.00 C ATOM 169 CG ASN A 13 5.808 0.113 7.436 1.00 0.00 C ATOM 170 OD1 ASN A 13 6.990 -0.062 7.726 1.00 0.00 O ATOM 171 ND2 ASN A 13 4.816 -0.479 8.091 1.00 0.00 N ATOM 0 H ASN A 13 3.740 2.867 5.275 1.00 0.00 H new ATOM 0 HA ASN A 13 5.172 2.502 7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.505 0.639 5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.189 1.034 5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.021 -1.107 8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.849 -0.306 7.817 1.00 0.00 H new ATOM 178 N LYS A 14 6.817 4.188 7.125 1.00 0.00 N ATOM 179 CA LYS A 14 7.857 5.140 6.743 1.00 0.00 C ATOM 180 C LYS A 14 9.189 4.451 6.444 1.00 0.00 C ATOM 181 O LYS A 14 9.528 3.434 7.046 1.00 0.00 O ATOM 182 CB LYS A 14 8.050 6.179 7.848 1.00 0.00 C ATOM 183 CG LYS A 14 9.154 7.182 7.553 1.00 0.00 C ATOM 184 CD LYS A 14 10.525 6.611 7.875 1.00 0.00 C ATOM 185 CE LYS A 14 11.063 7.160 9.186 1.00 0.00 C ATOM 186 NZ LYS A 14 12.550 7.102 9.245 1.00 0.00 N ATOM 0 H LYS A 14 6.587 4.194 8.119 1.00 0.00 H new ATOM 0 HA LYS A 14 7.526 5.631 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.113 6.716 7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.277 5.666 8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.116 7.468 6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.990 8.088 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.463 5.524 7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.218 6.849 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.735 8.192 9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.644 6.591 10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.877 7.486 10.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.863 6.114 9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.950 7.665 8.468 1.00 0.00 H new ATOM 200 N SER A 15 9.946 5.035 5.513 1.00 0.00 N ATOM 201 CA SER A 15 11.254 4.511 5.125 1.00 0.00 C ATOM 202 C SER A 15 11.171 3.058 4.672 1.00 0.00 C ATOM 203 O SER A 15 12.111 2.286 4.858 1.00 0.00 O ATOM 204 CB SER A 15 12.240 4.636 6.288 1.00 0.00 C ATOM 205 OG SER A 15 11.749 3.982 7.445 1.00 0.00 O ATOM 0 H SER A 15 9.671 5.879 5.011 1.00 0.00 H new ATOM 0 HA SER A 15 11.607 5.105 4.282 1.00 0.00 H new ATOM 0 HB2 SER A 15 13.200 4.206 6.003 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.416 5.689 6.508 1.00 0.00 H new ATOM 0 HG SER A 15 11.110 3.288 7.182 1.00 0.00 H new ATOM 211 N ILE A 16 10.044 2.689 4.080 1.00 0.00 N ATOM 212 CA ILE A 16 9.845 1.333 3.608 1.00 0.00 C ATOM 213 C ILE A 16 8.908 1.289 2.406 1.00 0.00 C ATOM 214 O ILE A 16 7.688 1.247 2.559 1.00 0.00 O ATOM 215 CB ILE A 16 9.269 0.464 4.729 1.00 0.00 C ATOM 216 CG1 ILE A 16 8.705 -0.834 4.162 1.00 0.00 C ATOM 217 CG2 ILE A 16 8.203 1.231 5.489 1.00 0.00 C ATOM 218 CD1 ILE A 16 7.214 -0.791 3.911 1.00 0.00 C ATOM 0 H ILE A 16 9.254 3.314 3.917 1.00 0.00 H new ATOM 0 HA ILE A 16 10.817 0.947 3.301 1.00 0.00 H new ATOM 0 HB ILE A 16 10.070 0.209 5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.215 -1.064 3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.925 -1.648 4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.800 0.603 6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.641 2.130 5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.401 1.512 4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.885 -1.749 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.693 -0.593 4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.988 0.000 3.196 1.00 0.00 H new ATOM 230 N SER A 17 9.485 1.297 1.208 1.00 0.00 N ATOM 231 CA SER A 17 8.698 1.258 -0.018 1.00 0.00 C ATOM 232 C SER A 17 7.646 0.154 0.043 1.00 0.00 C ATOM 233 O SER A 17 7.589 -0.611 1.005 1.00 0.00 O ATOM 234 CB SER A 17 9.611 1.040 -1.226 1.00 0.00 C ATOM 235 OG SER A 17 9.453 2.078 -2.179 1.00 0.00 O ATOM 0 H SER A 17 10.494 1.330 1.061 1.00 0.00 H new ATOM 0 HA SER A 17 8.187 2.215 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.650 0.998 -0.898 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.384 0.080 -1.689 1.00 0.00 H new ATOM 0 HG SER A 17 8.883 2.782 -1.805 1.00 0.00 H new ATOM 241 N ARG A 18 6.815 0.082 -0.990 1.00 0.00 N ATOM 242 CA ARG A 18 5.765 -0.923 -1.056 1.00 0.00 C ATOM 243 C ARG A 18 6.356 -2.329 -1.102 1.00 0.00 C ATOM 244 O ARG A 18 5.757 -3.278 -0.593 1.00 0.00 O ATOM 245 CB ARG A 18 4.885 -0.689 -2.285 1.00 0.00 C ATOM 246 CG ARG A 18 5.338 -1.457 -3.516 1.00 0.00 C ATOM 247 CD ARG A 18 5.845 -0.522 -4.602 1.00 0.00 C ATOM 248 NE ARG A 18 7.051 -1.035 -5.248 1.00 0.00 N ATOM 249 CZ ARG A 18 7.291 -0.927 -6.550 1.00 0.00 C ATOM 250 NH1 ARG A 18 6.413 -0.325 -7.341 1.00 0.00 N ATOM 251 NH2 ARG A 18 8.410 -1.419 -7.063 1.00 0.00 N ATOM 0 H ARG A 18 6.849 0.709 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 18 5.156 -0.834 -0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.860 -0.974 -2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.874 0.376 -2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.127 -2.157 -3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.508 -2.049 -3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.066 -0.380 -5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.054 0.456 -4.169 1.00 0.00 H new ATOM 0 HE ARG A 18 7.747 -1.502 -4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.552 0.056 -6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.599 -0.243 -8.341 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.088 -1.881 -6.458 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.593 -1.335 -8.063 1.00 0.00 H new ATOM 265 N ASP A 19 7.533 -2.464 -1.712 1.00 0.00 N ATOM 266 CA ASP A 19 8.180 -3.768 -1.807 1.00 0.00 C ATOM 267 C ASP A 19 8.582 -4.255 -0.427 1.00 0.00 C ATOM 268 O ASP A 19 8.397 -5.427 -0.079 1.00 0.00 O ATOM 269 CB ASP A 19 9.407 -3.694 -2.718 1.00 0.00 C ATOM 270 CG ASP A 19 9.363 -4.721 -3.832 1.00 0.00 C ATOM 271 OD1 ASP A 19 8.247 -5.064 -4.280 1.00 0.00 O ATOM 272 OD2 ASP A 19 10.442 -5.184 -4.256 1.00 0.00 O ATOM 0 H ASP A 19 8.050 -1.697 -2.142 1.00 0.00 H new ATOM 0 HA ASP A 19 7.471 -4.475 -2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.475 -2.696 -3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.308 -3.846 -2.123 1.00 0.00 H new ATOM 277 N LYS A 20 9.088 -3.332 0.378 1.00 0.00 N ATOM 278 CA LYS A 20 9.474 -3.654 1.737 1.00 0.00 C ATOM 279 C LYS A 20 8.216 -3.839 2.556 1.00 0.00 C ATOM 280 O LYS A 20 8.112 -4.761 3.363 1.00 0.00 O ATOM 281 CB LYS A 20 10.370 -2.569 2.338 1.00 0.00 C ATOM 282 CG LYS A 20 10.383 -1.271 1.545 1.00 0.00 C ATOM 283 CD LYS A 20 11.417 -1.309 0.433 1.00 0.00 C ATOM 284 CE LYS A 20 11.306 -2.587 -0.379 1.00 0.00 C ATOM 285 NZ LYS A 20 12.547 -2.865 -1.153 1.00 0.00 N ATOM 0 H LYS A 20 9.239 -2.359 0.112 1.00 0.00 H new ATOM 0 HA LYS A 20 10.057 -4.575 1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.037 -2.359 3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.389 -2.951 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.395 -1.094 1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.596 -0.437 2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.283 -0.447 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.417 -1.233 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.100 -3.424 0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.461 -2.509 -1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.429 -3.746 -1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.731 -2.079 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.349 -2.965 -0.499 1.00 0.00 H new ATOM 299 N ALA A 21 7.240 -2.979 2.288 1.00 0.00 N ATOM 300 CA ALA A 21 5.947 -3.061 2.947 1.00 0.00 C ATOM 301 C ALA A 21 5.322 -4.401 2.606 1.00 0.00 C ATOM 302 O ALA A 21 4.855 -5.130 3.481 1.00 0.00 O ATOM 303 CB ALA A 21 5.046 -1.916 2.504 1.00 0.00 C ATOM 0 H ALA A 21 7.323 -2.216 1.616 1.00 0.00 H new ATOM 0 HA ALA A 21 6.074 -2.978 4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.083 -1.995 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.513 -0.965 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.896 -1.967 1.426 1.00 0.00 H new ATOM 309 N GLU A 22 5.364 -4.732 1.317 1.00 0.00 N ATOM 310 CA GLU A 22 4.846 -6.002 0.846 1.00 0.00 C ATOM 311 C GLU A 22 5.672 -7.120 1.450 1.00 0.00 C ATOM 312 O GLU A 22 5.137 -8.082 2.004 1.00 0.00 O ATOM 313 CB GLU A 22 4.888 -6.070 -0.681 1.00 0.00 C ATOM 314 CG GLU A 22 5.357 -7.412 -1.221 1.00 0.00 C ATOM 315 CD GLU A 22 4.224 -8.412 -1.363 1.00 0.00 C ATOM 316 OE1 GLU A 22 3.852 -9.034 -0.347 1.00 0.00 O ATOM 317 OE2 GLU A 22 3.711 -8.570 -2.491 1.00 0.00 O ATOM 0 H GLU A 22 5.752 -4.136 0.586 1.00 0.00 H new ATOM 0 HA GLU A 22 3.806 -6.107 1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.893 -5.859 -1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.550 -5.288 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.830 -7.264 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.117 -7.822 -0.556 1.00 0.00 H new ATOM 324 N LYS A 23 6.989 -6.963 1.362 1.00 0.00 N ATOM 325 CA LYS A 23 7.908 -7.942 1.925 1.00 0.00 C ATOM 326 C LYS A 23 7.615 -8.139 3.404 1.00 0.00 C ATOM 327 O LYS A 23 7.503 -9.262 3.887 1.00 0.00 O ATOM 328 CB LYS A 23 9.358 -7.487 1.728 1.00 0.00 C ATOM 329 CG LYS A 23 10.188 -7.504 3.004 1.00 0.00 C ATOM 330 CD LYS A 23 10.763 -6.133 3.316 1.00 0.00 C ATOM 331 CE LYS A 23 11.725 -5.672 2.235 1.00 0.00 C ATOM 332 NZ LYS A 23 12.968 -6.491 2.210 1.00 0.00 N ATOM 0 H LYS A 23 7.441 -6.170 0.908 1.00 0.00 H new ATOM 0 HA LYS A 23 7.770 -8.891 1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.833 -8.131 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.359 -6.477 1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.569 -7.838 3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.999 -8.225 2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.952 -5.411 3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.280 -6.164 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.234 -5.729 1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.983 -4.626 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.665 -6.045 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.361 -6.555 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.748 -7.446 1.861 1.00 0.00 H new ATOM 346 N LEU A 24 7.491 -7.029 4.114 1.00 0.00 N ATOM 347 CA LEU A 24 7.203 -7.059 5.544 1.00 0.00 C ATOM 348 C LEU A 24 5.790 -7.558 5.813 1.00 0.00 C ATOM 349 O LEU A 24 5.565 -8.382 6.702 1.00 0.00 O ATOM 350 CB LEU A 24 7.362 -5.663 6.144 1.00 0.00 C ATOM 351 CG LEU A 24 6.759 -4.530 5.310 1.00 0.00 C ATOM 352 CD1 LEU A 24 5.339 -4.213 5.763 1.00 0.00 C ATOM 353 CD2 LEU A 24 7.640 -3.294 5.389 1.00 0.00 C ATOM 0 H LEU A 24 7.585 -6.091 3.724 1.00 0.00 H new ATOM 0 HA LEU A 24 7.912 -7.745 6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.900 -5.653 7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.424 -5.464 6.287 1.00 0.00 H new ATOM 0 HG LEU A 24 6.711 -4.857 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.935 -3.405 5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.715 -5.099 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.350 -3.908 6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.200 -2.495 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.720 -2.970 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.633 -3.530 5.005 1.00 0.00 H new ATOM 365 N LEU A 25 4.834 -7.034 5.052 1.00 0.00 N ATOM 366 CA LEU A 25 3.434 -7.401 5.217 1.00 0.00 C ATOM 367 C LEU A 25 3.148 -8.816 4.735 1.00 0.00 C ATOM 368 O LEU A 25 2.305 -9.512 5.299 1.00 0.00 O ATOM 369 CB LEU A 25 2.535 -6.389 4.505 1.00 0.00 C ATOM 370 CG LEU A 25 1.915 -6.871 3.194 1.00 0.00 C ATOM 371 CD1 LEU A 25 0.504 -7.380 3.433 1.00 0.00 C ATOM 372 CD2 LEU A 25 1.913 -5.747 2.167 1.00 0.00 C ATOM 0 H LEU A 25 5.005 -6.352 4.313 1.00 0.00 H new ATOM 0 HA LEU A 25 3.213 -7.382 6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.731 -6.102 5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.118 -5.490 4.303 1.00 0.00 H new ATOM 0 HG LEU A 25 2.515 -7.693 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.075 -7.720 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.531 -8.210 4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.109 -6.576 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.469 -6.104 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.332 -4.907 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.937 -5.424 1.979 1.00 0.00 H new ATOM 384 N LEU A 26 3.847 -9.238 3.694 1.00 0.00 N ATOM 385 CA LEU A 26 3.653 -10.577 3.151 1.00 0.00 C ATOM 386 C LEU A 26 3.859 -11.628 4.237 1.00 0.00 C ATOM 387 O LEU A 26 3.245 -12.695 4.211 1.00 0.00 O ATOM 388 CB LEU A 26 4.607 -10.832 1.982 1.00 0.00 C ATOM 389 CG LEU A 26 6.089 -10.591 2.281 1.00 0.00 C ATOM 390 CD1 LEU A 26 6.499 -11.307 3.558 1.00 0.00 C ATOM 391 CD2 LEU A 26 6.949 -11.047 1.113 1.00 0.00 C ATOM 0 H LEU A 26 4.549 -8.679 3.209 1.00 0.00 H new ATOM 0 HA LEU A 26 2.630 -10.649 2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.483 -11.863 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.313 -10.193 1.149 1.00 0.00 H new ATOM 0 HG LEU A 26 6.242 -9.521 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.555 -11.124 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.905 -10.933 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.331 -12.378 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.999 -10.868 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.792 -12.111 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.673 -10.489 0.218 1.00 0.00 H new ATOM 403 N ASP A 27 4.729 -11.313 5.186 1.00 0.00 N ATOM 404 CA ASP A 27 5.032 -12.217 6.288 1.00 0.00 C ATOM 405 C ASP A 27 3.825 -12.389 7.199 1.00 0.00 C ATOM 406 O ASP A 27 3.596 -13.464 7.753 1.00 0.00 O ATOM 407 CB ASP A 27 6.223 -11.695 7.092 1.00 0.00 C ATOM 408 CG ASP A 27 6.512 -12.543 8.315 1.00 0.00 C ATOM 409 OD1 ASP A 27 7.248 -13.544 8.185 1.00 0.00 O ATOM 410 OD2 ASP A 27 6.000 -12.206 9.405 1.00 0.00 O ATOM 0 H ASP A 27 5.241 -10.431 5.215 1.00 0.00 H new ATOM 0 HA ASP A 27 5.286 -13.189 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.106 -11.671 6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.026 -10.669 7.403 1.00 0.00 H new ATOM 415 N THR A 28 3.056 -11.320 7.348 1.00 0.00 N ATOM 416 CA THR A 28 1.869 -11.345 8.192 1.00 0.00 C ATOM 417 C THR A 28 0.898 -12.411 7.711 1.00 0.00 C ATOM 418 O THR A 28 0.173 -13.013 8.503 1.00 0.00 O ATOM 419 CB THR A 28 1.188 -9.976 8.194 1.00 0.00 C ATOM 420 OG1 THR A 28 2.094 -8.965 8.596 1.00 0.00 O ATOM 421 CG2 THR A 28 -0.013 -9.907 9.113 1.00 0.00 C ATOM 0 H THR A 28 3.233 -10.423 6.895 1.00 0.00 H new ATOM 0 HA THR A 28 2.175 -11.585 9.210 1.00 0.00 H new ATOM 0 HB THR A 28 0.852 -9.820 7.169 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.183 -8.975 9.572 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.449 -8.909 9.067 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.754 -10.642 8.799 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.299 -10.120 10.136 1.00 0.00 H new ATOM 429 N GLY A 29 0.894 -12.642 6.405 1.00 0.00 N ATOM 430 CA GLY A 29 0.013 -13.638 5.832 1.00 0.00 C ATOM 431 C GLY A 29 -1.440 -13.399 6.184 1.00 0.00 C ATOM 432 O GLY A 29 -2.220 -14.343 6.307 1.00 0.00 O ATOM 0 H GLY A 29 1.487 -12.156 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.126 -13.637 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.311 -14.626 6.183 1.00 0.00 H new ATOM 436 N LYS A 30 -1.806 -12.133 6.342 1.00 0.00 N ATOM 437 CA LYS A 30 -3.176 -11.769 6.677 1.00 0.00 C ATOM 438 C LYS A 30 -3.938 -11.345 5.436 1.00 0.00 C ATOM 439 O LYS A 30 -3.697 -10.267 4.894 1.00 0.00 O ATOM 440 CB LYS A 30 -3.198 -10.620 7.685 1.00 0.00 C ATOM 441 CG LYS A 30 -3.439 -11.063 9.119 1.00 0.00 C ATOM 442 CD LYS A 30 -4.825 -10.666 9.601 1.00 0.00 C ATOM 443 CE LYS A 30 -4.801 -10.214 11.051 1.00 0.00 C ATOM 444 NZ LYS A 30 -3.533 -9.510 11.393 1.00 0.00 N ATOM 0 H LYS A 30 -1.172 -11.340 6.243 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.652 -12.647 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.248 -10.087 7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.976 -9.913 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.324 -12.145 9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.686 -10.619 9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.213 -9.863 8.975 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.505 -11.511 9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.646 -9.552 11.239 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.923 -11.079 11.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.722 -8.785 12.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.845 -10.195 11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.146 -9.058 10.540 1.00 0.00 H new ATOM 458 N GLU A 31 -4.869 -12.177 4.989 1.00 0.00 N ATOM 459 CA GLU A 31 -5.650 -11.833 3.817 1.00 0.00 C ATOM 460 C GLU A 31 -6.157 -10.408 3.968 1.00 0.00 C ATOM 461 O GLU A 31 -6.814 -10.078 4.956 1.00 0.00 O ATOM 462 CB GLU A 31 -6.827 -12.797 3.651 1.00 0.00 C ATOM 463 CG GLU A 31 -8.052 -12.408 4.464 1.00 0.00 C ATOM 464 CD GLU A 31 -9.308 -13.118 3.998 1.00 0.00 C ATOM 465 OE1 GLU A 31 -9.208 -14.291 3.583 1.00 0.00 O ATOM 466 OE2 GLU A 31 -10.392 -12.500 4.051 1.00 0.00 O ATOM 0 H GLU A 31 -5.096 -13.077 5.413 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.023 -11.911 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.101 -12.845 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.510 -13.798 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.876 -12.640 5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.202 -11.330 4.397 1.00 0.00 H new ATOM 473 N GLY A 32 -5.844 -9.557 3.001 1.00 0.00 N ATOM 474 CA GLY A 32 -6.273 -8.186 3.080 1.00 0.00 C ATOM 475 C GLY A 32 -5.336 -7.334 3.905 1.00 0.00 C ATOM 476 O GLY A 32 -5.670 -6.202 4.249 1.00 0.00 O ATOM 0 H GLY A 32 -5.303 -9.795 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.345 -7.772 2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.272 -8.146 3.513 1.00 0.00 H new ATOM 480 N ALA A 33 -4.154 -7.859 4.230 1.00 0.00 N ATOM 481 CA ALA A 33 -3.209 -7.081 5.027 1.00 0.00 C ATOM 482 C ALA A 33 -2.533 -6.034 4.156 1.00 0.00 C ATOM 483 O ALA A 33 -1.847 -6.372 3.193 1.00 0.00 O ATOM 484 CB ALA A 33 -2.170 -7.998 5.659 1.00 0.00 C ATOM 0 H ALA A 33 -3.836 -8.791 3.963 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.753 -6.575 5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.472 -7.405 6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.668 -8.722 6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.625 -8.525 4.876 1.00 0.00 H new ATOM 490 N PHE A 34 -2.737 -4.760 4.479 1.00 0.00 N ATOM 491 CA PHE A 34 -2.145 -3.695 3.685 1.00 0.00 C ATOM 492 C PHE A 34 -1.308 -2.706 4.479 1.00 0.00 C ATOM 493 O PHE A 34 -1.400 -2.608 5.702 1.00 0.00 O ATOM 494 CB PHE A 34 -3.222 -2.946 2.905 1.00 0.00 C ATOM 495 CG PHE A 34 -4.356 -2.436 3.748 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.155 -1.448 4.703 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.632 -2.933 3.568 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.209 -0.973 5.458 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.686 -2.465 4.323 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.475 -1.482 5.268 1.00 0.00 C ATOM 0 H PHE A 34 -3.298 -4.446 5.271 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.458 -4.196 3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.761 -2.104 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.624 -3.607 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.164 -1.047 4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.806 -3.698 2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.041 -0.203 6.197 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.677 -2.868 4.175 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.301 -1.112 5.858 1.00 0.00 H new ATOM 510 N MET A 35 -0.531 -1.938 3.724 1.00 0.00 N ATOM 511 CA MET A 35 0.312 -0.881 4.259 1.00 0.00 C ATOM 512 C MET A 35 0.287 0.285 3.279 1.00 0.00 C ATOM 513 O MET A 35 -0.198 0.139 2.157 1.00 0.00 O ATOM 514 CB MET A 35 1.744 -1.362 4.491 1.00 0.00 C ATOM 515 CG MET A 35 2.102 -2.618 3.720 1.00 0.00 C ATOM 516 SD MET A 35 1.094 -4.037 4.191 1.00 0.00 S ATOM 517 CE MET A 35 0.736 -3.646 5.902 1.00 0.00 C ATOM 0 H MET A 35 -0.470 -2.035 2.710 1.00 0.00 H new ATOM 0 HA MET A 35 -0.073 -0.569 5.230 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.434 -0.566 4.211 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.887 -1.548 5.556 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.982 -2.431 2.653 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.153 -2.854 3.886 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.189 -4.139 6.202 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.554 -3.993 6.533 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.625 -2.567 6.013 1.00 0.00 H new ATOM 527 N VAL A 36 0.777 1.443 3.694 1.00 0.00 N ATOM 528 CA VAL A 36 0.759 2.608 2.826 1.00 0.00 C ATOM 529 C VAL A 36 2.132 3.247 2.712 1.00 0.00 C ATOM 530 O VAL A 36 2.731 3.629 3.711 1.00 0.00 O ATOM 531 CB VAL A 36 -0.259 3.633 3.346 1.00 0.00 C ATOM 532 CG1 VAL A 36 0.279 5.052 3.277 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.560 3.499 2.580 1.00 0.00 C ATOM 0 H VAL A 36 1.187 1.600 4.615 1.00 0.00 H new ATOM 0 HA VAL A 36 0.466 2.277 1.830 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.447 3.422 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.473 5.745 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.181 5.129 3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.516 5.301 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.279 4.229 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.378 3.678 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.960 2.494 2.715 1.00 0.00 H new ATOM 543 N ARG A 37 2.634 3.348 1.486 1.00 0.00 N ATOM 544 CA ARG A 37 3.937 3.929 1.257 1.00 0.00 C ATOM 545 C ARG A 37 3.895 5.081 0.261 1.00 0.00 C ATOM 546 O ARG A 37 3.228 5.000 -0.771 1.00 0.00 O ATOM 547 CB ARG A 37 4.915 2.861 0.770 1.00 0.00 C ATOM 548 CG ARG A 37 5.165 1.767 1.790 1.00 0.00 C ATOM 549 CD ARG A 37 5.476 2.350 3.158 1.00 0.00 C ATOM 550 NE ARG A 37 5.947 3.731 3.072 1.00 0.00 N ATOM 551 CZ ARG A 37 6.948 4.125 2.292 1.00 0.00 C ATOM 552 NH1 ARG A 37 7.571 3.253 1.514 1.00 0.00 N ATOM 553 NH2 ARG A 37 7.324 5.398 2.285 1.00 0.00 N ATOM 0 H ARG A 37 2.154 3.034 0.642 1.00 0.00 H new ATOM 0 HA ARG A 37 4.276 4.333 2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.527 2.413 -0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.863 3.335 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.289 1.122 1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.996 1.143 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.582 2.310 3.780 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.234 1.739 3.649 1.00 0.00 H new ATOM 0 HE ARG A 37 5.480 4.434 3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.283 2.275 1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.339 3.560 0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.844 6.075 2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.093 5.699 1.686 1.00 0.00 H new ATOM 567 N ASP A 38 4.641 6.139 0.560 1.00 0.00 N ATOM 568 CA ASP A 38 4.719 7.292 -0.327 1.00 0.00 C ATOM 569 C ASP A 38 5.874 7.114 -1.309 1.00 0.00 C ATOM 570 O ASP A 38 7.041 7.192 -0.926 1.00 0.00 O ATOM 571 CB ASP A 38 4.908 8.578 0.478 1.00 0.00 C ATOM 572 CG ASP A 38 5.950 8.429 1.570 1.00 0.00 C ATOM 573 OD1 ASP A 38 5.889 7.430 2.316 1.00 0.00 O ATOM 574 OD2 ASP A 38 6.828 9.312 1.677 1.00 0.00 O ATOM 0 H ASP A 38 5.200 6.221 1.409 1.00 0.00 H new ATOM 0 HA ASP A 38 3.785 7.368 -0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.203 9.384 -0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.957 8.867 0.924 1.00 0.00 H new ATOM 579 N SER A 39 5.545 6.867 -2.572 1.00 0.00 N ATOM 580 CA SER A 39 6.563 6.670 -3.600 1.00 0.00 C ATOM 581 C SER A 39 7.306 7.969 -3.891 1.00 0.00 C ATOM 582 O SER A 39 7.273 8.907 -3.093 1.00 0.00 O ATOM 583 CB SER A 39 5.923 6.139 -4.883 1.00 0.00 C ATOM 584 OG SER A 39 6.878 5.472 -5.692 1.00 0.00 O ATOM 0 H SER A 39 4.585 6.798 -2.909 1.00 0.00 H new ATOM 0 HA SER A 39 7.281 5.939 -3.228 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.113 5.454 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.482 6.964 -5.442 1.00 0.00 H new ATOM 0 HG SER A 39 7.360 4.811 -5.152 1.00 0.00 H new ATOM 590 N ARG A 40 7.958 8.024 -5.047 1.00 0.00 N ATOM 591 CA ARG A 40 8.681 9.208 -5.454 1.00 0.00 C ATOM 592 C ARG A 40 7.682 10.311 -5.711 1.00 0.00 C ATOM 593 O ARG A 40 7.548 11.227 -4.905 1.00 0.00 O ATOM 594 CB ARG A 40 9.508 8.934 -6.712 1.00 0.00 C ATOM 595 CG ARG A 40 10.639 7.944 -6.493 1.00 0.00 C ATOM 596 CD ARG A 40 11.941 8.651 -6.151 1.00 0.00 C ATOM 597 NE ARG A 40 11.792 9.547 -5.007 1.00 0.00 N ATOM 598 CZ ARG A 40 12.145 9.224 -3.767 1.00 0.00 C ATOM 599 NH1 ARG A 40 12.666 8.032 -3.514 1.00 0.00 N ATOM 600 NH2 ARG A 40 11.979 10.094 -2.780 1.00 0.00 N ATOM 0 H ARG A 40 7.997 7.255 -5.717 1.00 0.00 H new ATOM 0 HA ARG A 40 9.371 9.505 -4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.850 8.554 -7.493 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.924 9.874 -7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.373 7.259 -5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.776 7.342 -7.391 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.710 7.910 -5.933 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.283 9.220 -7.016 1.00 0.00 H new ATOM 0 HE ARG A 40 11.395 10.472 -5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.796 7.361 -4.271 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.937 7.785 -2.562 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.580 11.013 -2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.250 9.844 -1.829 1.00 0.00 H new ATOM 614 N THR A 41 6.944 10.185 -6.811 1.00 0.00 N ATOM 615 CA THR A 41 5.916 11.162 -7.137 1.00 0.00 C ATOM 616 C THR A 41 5.214 11.559 -5.852 1.00 0.00 C ATOM 617 O THR A 41 4.190 10.986 -5.481 1.00 0.00 O ATOM 618 CB THR A 41 4.912 10.579 -8.134 1.00 0.00 C ATOM 619 OG1 THR A 41 3.706 11.323 -8.125 1.00 0.00 O ATOM 620 CG2 THR A 41 4.561 9.133 -7.856 1.00 0.00 C ATOM 0 H THR A 41 7.039 9.424 -7.483 1.00 0.00 H new ATOM 0 HA THR A 41 6.372 12.037 -7.601 1.00 0.00 H new ATOM 0 HB THR A 41 5.404 10.636 -9.105 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.078 10.936 -8.770 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.845 8.783 -8.600 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.463 8.524 -7.906 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.121 9.050 -6.862 1.00 0.00 H new ATOM 628 N PRO A 42 5.794 12.522 -5.132 1.00 0.00 N ATOM 629 CA PRO A 42 5.274 12.986 -3.843 1.00 0.00 C ATOM 630 C PRO A 42 3.912 13.652 -3.963 1.00 0.00 C ATOM 631 O PRO A 42 3.688 14.751 -3.457 1.00 0.00 O ATOM 632 CB PRO A 42 6.355 13.964 -3.365 1.00 0.00 C ATOM 633 CG PRO A 42 7.565 13.554 -4.137 1.00 0.00 C ATOM 634 CD PRO A 42 7.035 13.221 -5.490 1.00 0.00 C ATOM 0 HA PRO A 42 5.097 12.168 -3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.079 14.998 -3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.520 13.886 -2.290 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.300 14.358 -4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.058 12.696 -3.680 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.850 14.110 -6.092 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.717 12.588 -6.057 1.00 0.00 H new ATOM 642 N GLY A 43 3.003 12.950 -4.626 1.00 0.00 N ATOM 643 CA GLY A 43 1.653 13.437 -4.805 1.00 0.00 C ATOM 644 C GLY A 43 0.632 12.378 -4.442 1.00 0.00 C ATOM 645 O GLY A 43 -0.468 12.690 -3.985 1.00 0.00 O ATOM 0 H GLY A 43 3.183 12.039 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.498 14.321 -4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.509 13.744 -5.841 1.00 0.00 H new ATOM 649 N THR A 44 1.006 11.117 -4.647 1.00 0.00 N ATOM 650 CA THR A 44 0.138 9.996 -4.346 1.00 0.00 C ATOM 651 C THR A 44 0.791 9.051 -3.340 1.00 0.00 C ATOM 652 O THR A 44 2.016 8.980 -3.243 1.00 0.00 O ATOM 653 CB THR A 44 -0.188 9.238 -5.629 1.00 0.00 C ATOM 654 OG1 THR A 44 -0.193 7.840 -5.399 1.00 0.00 O ATOM 655 CG2 THR A 44 0.789 9.515 -6.752 1.00 0.00 C ATOM 0 H THR A 44 1.915 10.851 -5.025 1.00 0.00 H new ATOM 0 HA THR A 44 -0.781 10.383 -3.905 1.00 0.00 H new ATOM 0 HB THR A 44 -1.174 9.592 -5.931 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.903 7.616 -4.762 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.500 8.945 -7.635 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.780 10.579 -6.988 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.792 9.221 -6.443 1.00 0.00 H new ATOM 663 N TYR A 45 -0.038 8.322 -2.604 1.00 0.00 N ATOM 664 CA TYR A 45 0.449 7.367 -1.611 1.00 0.00 C ATOM 665 C TYR A 45 0.196 5.943 -2.085 1.00 0.00 C ATOM 666 O TYR A 45 -0.826 5.662 -2.708 1.00 0.00 O ATOM 667 CB TYR A 45 -0.233 7.603 -0.263 1.00 0.00 C ATOM 668 CG TYR A 45 0.277 8.823 0.470 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.604 8.913 0.870 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.570 9.885 0.762 1.00 0.00 C ATOM 671 CE1 TYR A 45 2.073 10.026 1.539 1.00 0.00 C ATOM 672 CE2 TYR A 45 -0.108 11.002 1.432 1.00 0.00 C ATOM 673 CZ TYR A 45 1.213 11.068 1.818 1.00 0.00 C ATOM 674 OH TYR A 45 1.677 12.179 2.485 1.00 0.00 O ATOM 0 H TYR A 45 -1.054 8.373 -2.675 1.00 0.00 H new ATOM 0 HA TYR A 45 1.522 7.512 -1.487 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.306 7.708 -0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.088 6.725 0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.280 8.099 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.606 9.837 0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.108 10.081 1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.779 11.819 1.652 1.00 0.00 H new ATOM 0 HH TYR A 45 0.945 12.820 2.601 1.00 0.00 H new ATOM 684 N THR A 46 1.133 5.047 -1.797 1.00 0.00 N ATOM 685 CA THR A 46 0.999 3.658 -2.212 1.00 0.00 C ATOM 686 C THR A 46 0.511 2.783 -1.069 1.00 0.00 C ATOM 687 O THR A 46 0.946 2.929 0.071 1.00 0.00 O ATOM 688 CB THR A 46 2.334 3.131 -2.736 1.00 0.00 C ATOM 689 OG1 THR A 46 2.275 2.928 -4.135 1.00 0.00 O ATOM 690 CG2 THR A 46 2.750 1.824 -2.095 1.00 0.00 C ATOM 0 H THR A 46 1.988 5.256 -1.281 1.00 0.00 H new ATOM 0 HA THR A 46 0.258 3.619 -3.010 1.00 0.00 H new ATOM 0 HB THR A 46 3.071 3.892 -2.480 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.549 3.748 -4.596 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.706 1.503 -2.510 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.850 1.962 -1.018 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.994 1.064 -2.295 1.00 0.00 H new ATOM 698 N VAL A 47 -0.391 1.865 -1.387 1.00 0.00 N ATOM 699 CA VAL A 47 -0.933 0.957 -0.400 1.00 0.00 C ATOM 700 C VAL A 47 -0.611 -0.487 -0.758 1.00 0.00 C ATOM 701 O VAL A 47 -0.951 -0.962 -1.845 1.00 0.00 O ATOM 702 CB VAL A 47 -2.458 1.118 -0.252 1.00 0.00 C ATOM 703 CG1 VAL A 47 -3.153 -0.232 -0.346 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.795 1.803 1.063 1.00 0.00 C ATOM 0 H VAL A 47 -0.761 1.733 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.465 1.208 0.552 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.818 1.744 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.229 -0.095 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.939 -0.685 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.789 -0.885 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.876 1.909 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.420 1.203 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.331 2.789 1.089 1.00 0.00 H new ATOM 714 N SER A 48 0.048 -1.180 0.164 1.00 0.00 N ATOM 715 CA SER A 48 0.416 -2.575 -0.041 1.00 0.00 C ATOM 716 C SER A 48 -0.523 -3.482 0.744 1.00 0.00 C ATOM 717 O SER A 48 -0.518 -3.463 1.974 1.00 0.00 O ATOM 718 CB SER A 48 1.872 -2.817 0.386 1.00 0.00 C ATOM 719 OG SER A 48 2.522 -3.703 -0.508 1.00 0.00 O ATOM 0 H SER A 48 0.339 -0.796 1.063 1.00 0.00 H new ATOM 0 HA SER A 48 0.327 -2.807 -1.102 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.408 -1.868 0.418 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.895 -3.230 1.394 1.00 0.00 H new ATOM 0 HG SER A 48 3.485 -3.521 -0.507 1.00 0.00 H new ATOM 725 N VAL A 49 -1.334 -4.267 0.025 1.00 0.00 N ATOM 726 CA VAL A 49 -2.284 -5.177 0.655 1.00 0.00 C ATOM 727 C VAL A 49 -1.907 -6.633 0.398 1.00 0.00 C ATOM 728 O VAL A 49 -1.348 -6.965 -0.648 1.00 0.00 O ATOM 729 CB VAL A 49 -3.726 -4.927 0.171 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.042 -3.437 0.162 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.939 -5.541 -1.203 1.00 0.00 C ATOM 0 H VAL A 49 -1.347 -4.287 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.241 -4.980 1.726 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.413 -5.408 0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.065 -3.284 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.935 -3.036 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.353 -2.923 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.962 -5.355 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.244 -5.093 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.764 -6.616 -1.152 1.00 0.00 H new ATOM 741 N PHE A 50 -2.208 -7.496 1.366 1.00 0.00 N ATOM 742 CA PHE A 50 -1.886 -8.915 1.250 1.00 0.00 C ATOM 743 C PHE A 50 -3.109 -9.790 1.477 1.00 0.00 C ATOM 744 O PHE A 50 -3.806 -9.655 2.490 1.00 0.00 O ATOM 745 CB PHE A 50 -0.793 -9.302 2.246 1.00 0.00 C ATOM 746 CG PHE A 50 -0.610 -10.787 2.384 1.00 0.00 C ATOM 747 CD1 PHE A 50 -1.584 -11.564 2.991 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.533 -11.406 1.904 1.00 0.00 C ATOM 749 CE1 PHE A 50 -1.421 -12.931 3.116 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.701 -12.772 2.027 1.00 0.00 C ATOM 751 CZ PHE A 50 -0.277 -13.535 2.634 1.00 0.00 C ATOM 0 H PHE A 50 -2.673 -7.238 2.236 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.528 -9.081 0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.150 -8.855 1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.035 -8.881 3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.480 -11.096 3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.301 -10.814 1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.188 -13.526 3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.596 -13.243 1.649 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.147 -14.603 2.731 1.00 0.00 H new ATOM 761 N THR A 51 -3.346 -10.695 0.524 1.00 0.00 N ATOM 762 CA THR A 51 -4.466 -11.626 0.582 1.00 0.00 C ATOM 763 C THR A 51 -3.978 -13.044 0.865 1.00 0.00 C ATOM 764 O THR A 51 -2.950 -13.472 0.341 1.00 0.00 O ATOM 765 CB THR A 51 -5.248 -11.596 -0.732 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.643 -11.564 -0.484 1.00 0.00 O ATOM 767 CG2 THR A 51 -4.967 -12.788 -1.623 1.00 0.00 C ATOM 0 H THR A 51 -2.765 -10.800 -0.308 1.00 0.00 H new ATOM 0 HA THR A 51 -5.123 -11.317 1.395 1.00 0.00 H new ATOM 0 HB THR A 51 -4.917 -10.693 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.128 -11.704 -1.324 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.553 -12.705 -2.538 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.906 -12.813 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.239 -13.705 -1.100 1.00 0.00 H new ATOM 775 N LYS A 52 -4.721 -13.762 1.701 1.00 0.00 N ATOM 776 CA LYS A 52 -4.363 -15.130 2.058 1.00 0.00 C ATOM 777 C LYS A 52 -5.026 -16.133 1.119 1.00 0.00 C ATOM 778 O LYS A 52 -6.235 -16.084 0.894 1.00 0.00 O ATOM 779 CB LYS A 52 -4.767 -15.424 3.504 1.00 0.00 C ATOM 780 CG LYS A 52 -6.066 -16.205 3.626 1.00 0.00 C ATOM 781 CD LYS A 52 -6.204 -16.845 4.998 1.00 0.00 C ATOM 782 CE LYS A 52 -4.848 -17.199 5.587 1.00 0.00 C ATOM 783 NZ LYS A 52 -4.952 -18.274 6.611 1.00 0.00 N ATOM 0 H LYS A 52 -5.574 -13.420 2.144 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.282 -15.231 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.968 -15.985 3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.867 -14.482 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.910 -15.539 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.101 -16.977 2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.726 -16.162 5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.814 -17.745 4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.178 -17.521 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.404 -16.311 6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.007 -18.487 6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.571 -17.958 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.352 -19.130 6.176 1.00 0.00 H new ATOM 797 N ALA A 53 -4.226 -17.045 0.577 1.00 0.00 N ATOM 798 CA ALA A 53 -4.726 -18.059 -0.334 1.00 0.00 C ATOM 799 C ALA A 53 -4.807 -19.420 0.350 1.00 0.00 C ATOM 800 O ALA A 53 -4.055 -19.701 1.283 1.00 0.00 O ATOM 801 CB ALA A 53 -3.848 -18.140 -1.573 1.00 0.00 C ATOM 0 H ALA A 53 -3.223 -17.100 0.756 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.733 -17.772 -0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.237 -18.905 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.847 -17.176 -2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.830 -18.397 -1.281 1.00 0.00 H new ATOM 807 N ILE A 54 -5.725 -20.260 -0.118 1.00 0.00 N ATOM 808 CA ILE A 54 -5.902 -21.590 0.451 1.00 0.00 C ATOM 809 C ILE A 54 -4.562 -22.205 0.836 1.00 0.00 C ATOM 810 O ILE A 54 -4.103 -22.061 1.968 1.00 0.00 O ATOM 811 CB ILE A 54 -6.616 -22.532 -0.536 1.00 0.00 C ATOM 812 CG1 ILE A 54 -6.198 -23.982 -0.286 1.00 0.00 C ATOM 813 CG2 ILE A 54 -6.310 -22.128 -1.971 1.00 0.00 C ATOM 814 CD1 ILE A 54 -7.357 -24.956 -0.306 1.00 0.00 C ATOM 0 H ILE A 54 -6.357 -20.043 -0.889 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.517 -21.472 1.343 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.691 -22.451 -0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.472 -24.278 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.696 -24.046 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.822 -22.804 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.653 -21.108 -2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.235 -22.183 -2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.988 -25.965 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.074 -24.685 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.845 -24.921 -1.280 1.00 0.00 H new ATOM 826 N ILE A 55 -3.937 -22.889 -0.117 1.00 0.00 N ATOM 827 CA ILE A 55 -2.649 -23.525 0.123 1.00 0.00 C ATOM 828 C ILE A 55 -1.980 -23.934 -1.184 1.00 0.00 C ATOM 829 O ILE A 55 -0.754 -24.014 -1.269 1.00 0.00 O ATOM 830 CB ILE A 55 -2.790 -24.765 1.025 1.00 0.00 C ATOM 831 CG1 ILE A 55 -1.623 -24.840 2.011 1.00 0.00 C ATOM 832 CG2 ILE A 55 -2.861 -26.029 0.182 1.00 0.00 C ATOM 833 CD1 ILE A 55 -1.255 -26.255 2.405 1.00 0.00 C ATOM 0 H ILE A 55 -4.302 -23.016 -1.061 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.027 -22.787 0.629 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.716 -24.679 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.752 -24.356 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.879 -24.276 2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.960 -26.896 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.723 -25.975 -0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.951 -26.123 -0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.420 -26.232 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.112 -26.736 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.968 -26.817 1.516 1.00 0.00 H new ATOM 845 N SER A 56 -2.792 -24.193 -2.201 1.00 0.00 N ATOM 846 CA SER A 56 -2.280 -24.593 -3.506 1.00 0.00 C ATOM 847 C SER A 56 -1.959 -23.373 -4.362 1.00 0.00 C ATOM 848 O SER A 56 -0.934 -23.332 -5.044 1.00 0.00 O ATOM 849 CB SER A 56 -3.296 -25.482 -4.225 1.00 0.00 C ATOM 850 OG SER A 56 -4.478 -24.762 -4.533 1.00 0.00 O ATOM 0 H SER A 56 -3.809 -24.133 -2.147 1.00 0.00 H new ATOM 0 HA SER A 56 -1.360 -25.157 -3.350 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.856 -25.874 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.542 -26.339 -3.598 1.00 0.00 H new ATOM 0 HG SER A 56 -5.110 -25.353 -4.994 1.00 0.00 H new ATOM 856 N GLU A 57 -2.843 -22.381 -4.324 1.00 0.00 N ATOM 857 CA GLU A 57 -2.655 -21.160 -5.095 1.00 0.00 C ATOM 858 C GLU A 57 -1.642 -20.239 -4.423 1.00 0.00 C ATOM 859 O GLU A 57 -0.860 -19.566 -5.095 1.00 0.00 O ATOM 860 CB GLU A 57 -3.989 -20.432 -5.269 1.00 0.00 C ATOM 861 CG GLU A 57 -5.196 -21.357 -5.240 1.00 0.00 C ATOM 862 CD GLU A 57 -6.429 -20.725 -5.855 1.00 0.00 C ATOM 863 OE1 GLU A 57 -6.748 -19.573 -5.497 1.00 0.00 O ATOM 864 OE2 GLU A 57 -7.075 -21.383 -6.697 1.00 0.00 O ATOM 0 H GLU A 57 -3.697 -22.400 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.269 -21.437 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.093 -19.688 -4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.978 -19.892 -6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.958 -22.276 -5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.411 -21.636 -4.208 1.00 0.00 H new ATOM 871 N ASN A 58 -1.665 -20.212 -3.095 1.00 0.00 N ATOM 872 CA ASN A 58 -0.750 -19.370 -2.332 1.00 0.00 C ATOM 873 C ASN A 58 -1.319 -17.964 -2.167 1.00 0.00 C ATOM 874 O ASN A 58 -1.869 -17.391 -3.106 1.00 0.00 O ATOM 875 CB ASN A 58 0.614 -19.304 -3.024 1.00 0.00 C ATOM 876 CG ASN A 58 0.942 -17.910 -3.522 1.00 0.00 C ATOM 877 OD1 ASN A 58 1.660 -17.144 -2.710 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 0.554 -17.526 -4.625 1.00 0.00 N flip ATOM 0 H ASN A 58 -2.307 -20.763 -2.525 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.626 -19.812 -1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.387 -19.630 -2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.627 -19.999 -3.863 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.004 -18.148 -5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.782 -16.585 -4.947 1.00 0.00 H new ATOM 885 N PRO A 59 -1.189 -17.391 -0.962 1.00 0.00 N ATOM 886 CA PRO A 59 -1.690 -16.047 -0.665 1.00 0.00 C ATOM 887 C PRO A 59 -1.323 -15.041 -1.751 1.00 0.00 C ATOM 888 O PRO A 59 -0.265 -15.144 -2.373 1.00 0.00 O ATOM 889 CB PRO A 59 -0.992 -15.699 0.648 1.00 0.00 C ATOM 890 CG PRO A 59 -0.771 -17.013 1.315 1.00 0.00 C ATOM 891 CD PRO A 59 -0.542 -18.012 0.210 1.00 0.00 C ATOM 0 HA PRO A 59 -2.778 -16.016 -0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.050 -15.181 0.471 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.607 -15.041 1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.088 -16.970 1.985 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.634 -17.292 1.920 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.521 -18.182 0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.985 -18.979 0.446 1.00 0.00 H new ATOM 899 N CYS A 60 -2.203 -14.071 -1.976 1.00 0.00 N ATOM 900 CA CYS A 60 -1.968 -13.049 -2.988 1.00 0.00 C ATOM 901 C CYS A 60 -1.842 -11.669 -2.353 1.00 0.00 C ATOM 902 O CYS A 60 -2.801 -11.142 -1.788 1.00 0.00 O ATOM 903 CB CYS A 60 -3.101 -13.050 -4.016 1.00 0.00 C ATOM 904 SG CYS A 60 -2.564 -12.711 -5.708 1.00 0.00 S ATOM 0 H CYS A 60 -3.084 -13.972 -1.472 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.029 -13.282 -3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.598 -14.020 -3.992 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.841 -12.305 -3.725 1.00 0.00 H new ATOM 0 HG CYS A 60 -3.592 -12.736 -6.503 1.00 0.00 H new ATOM 910 N ILE A 61 -0.652 -11.088 -2.458 1.00 0.00 N ATOM 911 CA ILE A 61 -0.390 -9.766 -1.904 1.00 0.00 C ATOM 912 C ILE A 61 -0.200 -8.746 -3.021 1.00 0.00 C ATOM 913 O ILE A 61 0.515 -9.005 -3.989 1.00 0.00 O ATOM 914 CB ILE A 61 0.858 -9.785 -1.004 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.291 -8.363 -0.653 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.990 -10.538 -1.687 1.00 0.00 C ATOM 917 CD1 ILE A 61 1.825 -8.229 0.756 1.00 0.00 C ATOM 0 H ILE A 61 0.149 -11.514 -2.924 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.252 -9.480 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 61 0.608 -10.302 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.058 -8.040 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.442 -7.691 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.866 -10.543 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.678 -11.564 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.238 -10.047 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.114 -7.194 0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.052 -8.521 1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.694 -8.875 0.879 1.00 0.00 H new ATOM 929 N LYS A 62 -0.852 -7.590 -2.900 1.00 0.00 N ATOM 930 CA LYS A 62 -0.746 -6.559 -3.927 1.00 0.00 C ATOM 931 C LYS A 62 -0.734 -5.151 -3.336 1.00 0.00 C ATOM 932 O LYS A 62 -1.423 -4.862 -2.356 1.00 0.00 O ATOM 933 CB LYS A 62 -1.898 -6.689 -4.924 1.00 0.00 C ATOM 934 CG LYS A 62 -2.098 -5.455 -5.788 1.00 0.00 C ATOM 935 CD LYS A 62 -3.519 -5.371 -6.319 1.00 0.00 C ATOM 936 CE LYS A 62 -3.569 -4.675 -7.670 1.00 0.00 C ATOM 937 NZ LYS A 62 -3.367 -3.205 -7.546 1.00 0.00 N ATOM 0 H LYS A 62 -1.451 -7.347 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 62 0.205 -6.711 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.714 -7.548 -5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.819 -6.893 -4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.873 -4.562 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.397 -5.477 -6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.934 -6.375 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.143 -4.831 -5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.802 -5.093 -8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.531 -4.870 -8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.044 -2.709 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.518 -2.916 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.397 -2.962 -7.833 1.00 0.00 H new ATOM 951 N HIS A 63 0.053 -4.278 -3.960 1.00 0.00 N ATOM 952 CA HIS A 63 0.166 -2.889 -3.533 1.00 0.00 C ATOM 953 C HIS A 63 -0.271 -1.954 -4.660 1.00 0.00 C ATOM 954 O HIS A 63 -0.169 -2.305 -5.835 1.00 0.00 O ATOM 955 CB HIS A 63 1.606 -2.579 -3.123 1.00 0.00 C ATOM 956 CG HIS A 63 2.530 -3.748 -3.268 1.00 0.00 C ATOM 957 ND1 HIS A 63 3.518 -3.833 -4.225 1.00 0.00 N ATOM 958 CD2 HIS A 63 2.601 -4.901 -2.555 1.00 0.00 C ATOM 959 CE1 HIS A 63 4.144 -5.007 -4.066 1.00 0.00 C ATOM 960 NE2 HIS A 63 3.626 -5.692 -3.065 1.00 0.00 N ATOM 0 H HIS A 63 0.626 -4.513 -4.770 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.486 -2.733 -2.674 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.979 -1.753 -3.729 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.617 -2.243 -2.086 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.734 -3.128 -4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.963 -5.163 -1.724 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.966 -5.348 -4.678 1.00 0.00 H new ATOM 968 N TYR A 64 -0.752 -0.767 -4.306 1.00 0.00 N ATOM 969 CA TYR A 64 -1.191 0.197 -5.314 1.00 0.00 C ATOM 970 C TYR A 64 -0.938 1.630 -4.862 1.00 0.00 C ATOM 971 O TYR A 64 -1.047 1.946 -3.678 1.00 0.00 O ATOM 972 CB TYR A 64 -2.678 0.013 -5.626 1.00 0.00 C ATOM 973 CG TYR A 64 -3.370 -1.003 -4.747 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.032 -2.350 -4.810 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.366 -0.618 -3.857 1.00 0.00 C ATOM 976 CE1 TYR A 64 -3.668 -3.283 -4.014 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.004 -1.544 -3.057 1.00 0.00 C ATOM 978 CZ TYR A 64 -4.653 -2.874 -3.139 1.00 0.00 C ATOM 979 OH TYR A 64 -5.291 -3.801 -2.346 1.00 0.00 O ATOM 0 H TYR A 64 -0.848 -0.450 -3.341 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.608 0.011 -6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.182 0.973 -5.520 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.785 -0.290 -6.668 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.260 -2.672 -5.492 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.645 0.423 -3.790 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.396 -4.326 -4.076 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.775 -1.228 -2.370 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.458 -4.616 -2.865 1.00 0.00 H new ATOM 989 N HIS A 65 -0.609 2.495 -5.817 1.00 0.00 N ATOM 990 CA HIS A 65 -0.351 3.897 -5.513 1.00 0.00 C ATOM 991 C HIS A 65 -1.622 4.721 -5.663 1.00 0.00 C ATOM 992 O HIS A 65 -2.165 4.855 -6.759 1.00 0.00 O ATOM 993 CB HIS A 65 0.744 4.464 -6.420 1.00 0.00 C ATOM 994 CG HIS A 65 1.487 5.602 -5.793 1.00 0.00 C ATOM 995 ND1 HIS A 65 1.940 5.748 -4.522 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 1.842 6.757 -6.456 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 2.571 6.983 -4.399 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 2.485 7.549 -5.587 1.00 0.00 N flip ATOM 0 H HIS A 65 -0.515 2.251 -6.803 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.010 3.955 -4.479 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.448 3.671 -6.671 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.296 4.800 -7.355 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.638 6.984 -7.492 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.035 7.393 -3.514 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.859 8.470 -5.815 1.00 0.00 H new ATOM 1006 N ILE A 66 -2.086 5.277 -4.552 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.290 6.094 -4.554 1.00 0.00 C ATOM 1008 C ILE A 66 -3.065 7.375 -5.350 1.00 0.00 C ATOM 1009 O ILE A 66 -2.229 8.202 -4.987 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.732 6.443 -3.117 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -4.192 5.183 -2.375 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.842 7.481 -3.142 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.220 4.027 -2.462 1.00 0.00 C ATOM 0 H ILE A 66 -1.646 5.176 -3.637 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.082 5.513 -5.026 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.878 6.862 -2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.353 5.430 -1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.154 4.867 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.143 7.717 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.483 8.386 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.697 7.086 -3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.618 3.174 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.077 3.750 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.264 4.322 -2.030 1.00 0.00 H new ATOM 1025 N LYS A 67 -3.804 7.526 -6.446 1.00 0.00 N ATOM 1026 CA LYS A 67 -3.667 8.701 -7.306 1.00 0.00 C ATOM 1027 C LYS A 67 -4.518 9.859 -6.803 1.00 0.00 C ATOM 1028 O LYS A 67 -5.599 9.655 -6.255 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.070 8.355 -8.741 1.00 0.00 C ATOM 1030 CG LYS A 67 -3.749 6.923 -9.139 1.00 0.00 C ATOM 1031 CD LYS A 67 -4.172 6.636 -10.571 1.00 0.00 C ATOM 1032 CE LYS A 67 -4.450 5.157 -10.785 1.00 0.00 C ATOM 1033 NZ LYS A 67 -5.817 4.920 -11.326 1.00 0.00 N ATOM 0 H LYS A 67 -4.502 6.852 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.621 9.008 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.140 8.524 -8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.563 9.035 -9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.679 6.745 -9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.256 6.234 -8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.065 7.213 -10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.389 6.963 -11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.711 4.745 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.337 4.626 -9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.810 4.071 -11.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.483 4.782 -10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.114 5.741 -11.890 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.017 11.075 -6.996 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.726 12.274 -6.562 1.00 0.00 C ATOM 1049 C GLU A 68 -5.568 12.854 -7.696 1.00 0.00 C ATOM 1050 O GLU A 68 -5.254 12.670 -8.872 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.729 13.321 -6.061 1.00 0.00 C ATOM 1052 CG GLU A 68 -3.851 13.615 -4.575 1.00 0.00 C ATOM 1053 CD GLU A 68 -2.848 12.841 -3.743 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -2.497 11.709 -4.137 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -2.410 13.368 -2.698 1.00 0.00 O ATOM 0 H GLU A 68 -3.122 11.256 -7.450 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.396 11.997 -5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.717 12.977 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.875 14.246 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.710 14.683 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.860 13.370 -4.242 1.00 0.00 H new ATOM 1062 N THR A 69 -6.637 13.558 -7.333 1.00 0.00 N ATOM 1063 CA THR A 69 -7.524 14.164 -8.314 1.00 0.00 C ATOM 1064 C THR A 69 -7.777 15.634 -7.987 1.00 0.00 C ATOM 1065 O THR A 69 -7.123 16.210 -7.118 1.00 0.00 O ATOM 1066 CB THR A 69 -8.848 13.406 -8.372 1.00 0.00 C ATOM 1067 OG1 THR A 69 -9.944 14.303 -8.336 1.00 0.00 O ATOM 1068 CG2 THR A 69 -9.018 12.424 -7.235 1.00 0.00 C ATOM 0 H THR A 69 -6.908 13.721 -6.363 1.00 0.00 H new ATOM 0 HA THR A 69 -7.039 14.107 -9.289 1.00 0.00 H new ATOM 0 HB THR A 69 -8.826 12.853 -9.311 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.087 14.608 -7.416 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.978 11.917 -7.332 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.214 11.688 -7.266 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.984 12.958 -6.285 1.00 0.00 H new ATOM 1076 N ASN A 70 -8.727 16.238 -8.693 1.00 0.00 N ATOM 1077 CA ASN A 70 -9.063 17.641 -8.482 1.00 0.00 C ATOM 1078 C ASN A 70 -10.531 17.810 -8.103 1.00 0.00 C ATOM 1079 O ASN A 70 -11.214 18.691 -8.623 1.00 0.00 O ATOM 1080 CB ASN A 70 -8.755 18.455 -9.740 1.00 0.00 C ATOM 1081 CG ASN A 70 -8.935 17.645 -11.009 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -7.962 17.254 -11.654 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -10.186 17.391 -11.377 1.00 0.00 N ATOM 0 H ASN A 70 -9.278 15.777 -9.417 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.453 18.008 -7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.407 19.328 -9.774 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.731 18.824 -9.689 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.369 16.853 -12.224 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.963 17.734 -10.813 1.00 0.00 H new ATOM 1090 N ASP A 71 -11.013 16.964 -7.201 1.00 0.00 N ATOM 1091 CA ASP A 71 -12.401 17.036 -6.767 1.00 0.00 C ATOM 1092 C ASP A 71 -12.591 16.441 -5.375 1.00 0.00 C ATOM 1093 O ASP A 71 -12.101 15.351 -5.083 1.00 0.00 O ATOM 1094 CB ASP A 71 -13.301 16.304 -7.762 1.00 0.00 C ATOM 1095 CG ASP A 71 -14.369 17.205 -8.350 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -14.087 17.873 -9.368 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -15.486 17.244 -7.794 1.00 0.00 O ATOM 0 H ASP A 71 -10.467 16.225 -6.759 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.676 18.090 -6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.690 15.896 -8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.777 15.459 -7.264 1.00 0.00 H new ATOM 1102 N SER A 72 -13.324 17.155 -4.522 1.00 0.00 N ATOM 1103 CA SER A 72 -13.592 16.682 -3.172 1.00 0.00 C ATOM 1104 C SER A 72 -14.869 15.845 -3.132 1.00 0.00 C ATOM 1105 O SER A 72 -15.915 16.270 -3.622 1.00 0.00 O ATOM 1106 CB SER A 72 -13.711 17.863 -2.209 1.00 0.00 C ATOM 1107 OG SER A 72 -15.068 18.159 -1.925 1.00 0.00 O ATOM 0 H SER A 72 -13.740 18.059 -4.744 1.00 0.00 H new ATOM 0 HA SER A 72 -12.757 16.053 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.184 17.634 -1.282 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.228 18.739 -2.642 1.00 0.00 H new ATOM 0 HG SER A 72 -15.632 17.851 -2.665 1.00 0.00 H new ATOM 1113 N PRO A 73 -14.801 14.643 -2.541 1.00 0.00 N ATOM 1114 CA PRO A 73 -13.576 14.114 -1.949 1.00 0.00 C ATOM 1115 C PRO A 73 -12.683 13.439 -2.984 1.00 0.00 C ATOM 1116 O PRO A 73 -11.615 12.924 -2.656 1.00 0.00 O ATOM 1117 CB PRO A 73 -14.105 13.091 -0.950 1.00 0.00 C ATOM 1118 CG PRO A 73 -15.356 12.571 -1.576 1.00 0.00 C ATOM 1119 CD PRO A 73 -15.926 13.699 -2.403 1.00 0.00 C ATOM 0 HA PRO A 73 -12.955 14.892 -1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.384 12.292 -0.781 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.306 13.549 0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -15.145 11.702 -2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -16.067 12.252 -0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -16.273 13.346 -3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.779 14.164 -1.910 1.00 0.00 H new ATOM 1127 N LYS A 74 -13.133 13.447 -4.235 1.00 0.00 N ATOM 1128 CA LYS A 74 -12.380 12.837 -5.325 1.00 0.00 C ATOM 1129 C LYS A 74 -10.945 13.359 -5.346 1.00 0.00 C ATOM 1130 O LYS A 74 -10.541 14.081 -6.257 1.00 0.00 O ATOM 1131 CB LYS A 74 -13.077 13.116 -6.663 1.00 0.00 C ATOM 1132 CG LYS A 74 -12.131 13.500 -7.788 1.00 0.00 C ATOM 1133 CD LYS A 74 -12.797 13.360 -9.147 1.00 0.00 C ATOM 1134 CE LYS A 74 -14.307 13.513 -9.047 1.00 0.00 C ATOM 1135 NZ LYS A 74 -15.001 12.980 -10.251 1.00 0.00 N ATOM 0 H LYS A 74 -14.017 13.870 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.345 11.759 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.637 12.229 -6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.802 13.918 -6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.797 14.528 -7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.243 12.869 -7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.398 14.112 -9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.556 12.386 -9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.667 12.991 -8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.557 14.566 -8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.028 13.103 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.677 13.495 -11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.783 11.969 -10.358 1.00 0.00 H new ATOM 1149 N ARG A 75 -10.181 12.989 -4.323 1.00 0.00 N ATOM 1150 CA ARG A 75 -8.792 13.417 -4.207 1.00 0.00 C ATOM 1151 C ARG A 75 -7.836 12.285 -4.574 1.00 0.00 C ATOM 1152 O ARG A 75 -7.226 12.305 -5.641 1.00 0.00 O ATOM 1153 CB ARG A 75 -8.506 13.910 -2.790 1.00 0.00 C ATOM 1154 CG ARG A 75 -7.772 15.239 -2.745 1.00 0.00 C ATOM 1155 CD ARG A 75 -6.287 15.062 -3.017 1.00 0.00 C ATOM 1156 NE ARG A 75 -5.995 15.024 -4.446 1.00 0.00 N ATOM 1157 CZ ARG A 75 -5.306 15.968 -5.083 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -4.859 17.027 -4.420 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -5.065 15.858 -6.381 1.00 0.00 N ATOM 0 H ARG A 75 -10.502 12.392 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.632 14.237 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.448 14.007 -2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.914 13.160 -2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -8.200 15.918 -3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.912 15.701 -1.768 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.734 15.880 -2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.940 14.140 -2.551 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.338 14.230 -4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.043 17.118 -3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.331 17.750 -4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.408 15.047 -6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.537 16.584 -6.865 1.00 0.00 H new ATOM 1173 N TYR A 76 -7.711 11.293 -3.693 1.00 0.00 N ATOM 1174 CA TYR A 76 -6.828 10.164 -3.957 1.00 0.00 C ATOM 1175 C TYR A 76 -7.618 8.970 -4.462 1.00 0.00 C ATOM 1176 O TYR A 76 -8.759 8.750 -4.059 1.00 0.00 O ATOM 1177 CB TYR A 76 -6.046 9.750 -2.710 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.076 10.747 -1.587 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -6.241 12.096 -1.835 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -5.931 10.327 -0.275 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.265 13.011 -0.799 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -5.952 11.228 0.769 1.00 0.00 C ATOM 1183 CZ TYR A 76 -6.120 12.572 0.504 1.00 0.00 C ATOM 1184 OH TYR A 76 -6.142 13.478 1.539 1.00 0.00 O ATOM 0 H TYR A 76 -8.205 11.250 -2.801 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.121 10.489 -4.720 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.444 8.803 -2.347 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.008 9.572 -2.992 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.353 12.441 -2.852 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.799 9.276 -0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.396 14.063 -1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.838 10.884 1.786 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.045 13.847 1.631 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.003 8.195 -5.343 1.00 0.00 N ATOM 1195 CA TYR A 77 -7.661 7.017 -5.894 1.00 0.00 C ATOM 1196 C TYR A 77 -6.680 5.988 -6.428 1.00 0.00 C ATOM 1197 O TYR A 77 -5.738 6.320 -7.149 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.605 7.408 -7.032 1.00 0.00 C ATOM 1199 CG TYR A 77 -7.921 8.120 -8.180 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.319 9.356 -7.985 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -7.875 7.561 -9.459 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -6.693 10.018 -9.024 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.248 8.219 -10.500 1.00 0.00 C ATOM 1204 CZ TYR A 77 -6.659 9.446 -10.278 1.00 0.00 C ATOM 1205 OH TYR A 77 -6.034 10.103 -11.312 1.00 0.00 O ATOM 0 H TYR A 77 -6.058 8.357 -5.690 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.214 6.572 -5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.091 6.510 -7.413 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.390 8.051 -6.635 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.340 9.808 -7.004 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.336 6.601 -9.637 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.232 10.980 -8.854 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.219 7.774 -11.484 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.098 9.564 -12.128 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.964 4.727 -6.137 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.170 3.631 -6.656 1.00 0.00 C ATOM 1217 C VAL A 78 -7.082 2.805 -7.543 1.00 0.00 C ATOM 1218 O VAL A 78 -7.223 1.591 -7.390 1.00 0.00 O ATOM 1219 CB VAL A 78 -5.599 2.751 -5.532 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.863 3.605 -4.513 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.712 1.957 -4.867 1.00 0.00 C ATOM 0 H VAL A 78 -7.741 4.440 -5.542 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.318 4.026 -7.209 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.888 2.048 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.465 2.967 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.044 4.131 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.552 4.330 -4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.293 1.338 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.446 2.643 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.196 1.319 -5.607 1.00 0.00 H new ATOM 1231 N ALA A 79 -7.711 3.522 -8.462 1.00 0.00 N ATOM 1232 CA ALA A 79 -8.653 2.964 -9.412 1.00 0.00 C ATOM 1233 C ALA A 79 -9.235 4.109 -10.233 1.00 0.00 C ATOM 1234 O ALA A 79 -9.135 5.264 -9.828 1.00 0.00 O ATOM 1235 CB ALA A 79 -9.740 2.187 -8.692 1.00 0.00 C ATOM 0 H ALA A 79 -7.576 4.527 -8.568 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.149 2.262 -10.077 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.437 1.776 -9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.290 1.374 -8.122 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.275 2.852 -8.014 1.00 0.00 H new ATOM 1241 N GLU A 80 -9.816 3.818 -11.384 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.358 4.883 -12.221 1.00 0.00 C ATOM 1243 C GLU A 80 -11.774 5.306 -11.828 1.00 0.00 C ATOM 1244 O GLU A 80 -12.536 5.796 -12.661 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.311 4.488 -13.692 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.123 3.608 -14.050 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.318 2.165 -13.630 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -10.464 1.676 -13.697 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.321 1.523 -13.234 1.00 0.00 O ATOM 0 H GLU A 80 -9.925 2.875 -11.758 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.720 5.751 -12.057 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.231 3.963 -13.948 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.280 5.391 -14.301 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.956 3.650 -15.126 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.226 4.003 -13.573 1.00 0.00 H new ATOM 1256 N LYS A 81 -12.103 5.159 -10.554 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.407 5.570 -10.040 1.00 0.00 C ATOM 1258 C LYS A 81 -13.372 5.633 -8.521 1.00 0.00 C ATOM 1259 O LYS A 81 -14.375 5.932 -7.875 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.533 4.635 -10.498 1.00 0.00 C ATOM 1261 CG LYS A 81 -14.139 3.673 -11.604 1.00 0.00 C ATOM 1262 CD LYS A 81 -13.499 2.425 -11.032 1.00 0.00 C ATOM 1263 CE LYS A 81 -11.994 2.578 -10.932 1.00 0.00 C ATOM 1264 NZ LYS A 81 -11.298 1.260 -10.957 1.00 0.00 N ATOM 0 H LYS A 81 -11.483 4.756 -9.851 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.618 6.559 -10.446 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.882 4.060 -9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.373 5.239 -10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.020 3.401 -12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.445 4.162 -12.287 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.913 2.221 -10.045 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.739 1.568 -11.662 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.636 3.193 -11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.743 3.104 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.270 1.411 -11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.529 0.729 -10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.609 0.719 -11.789 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.202 5.352 -7.958 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.022 5.380 -6.515 1.00 0.00 C ATOM 1280 C TYR A 82 -11.211 6.603 -6.095 1.00 0.00 C ATOM 1281 O TYR A 82 -10.068 6.473 -5.665 1.00 0.00 O ATOM 1282 CB TYR A 82 -11.315 4.111 -6.042 1.00 0.00 C ATOM 1283 CG TYR A 82 -11.931 2.839 -6.570 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.111 2.643 -7.932 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -12.331 1.832 -5.700 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -12.674 1.472 -8.411 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -12.895 0.663 -6.173 1.00 0.00 C ATOM 1288 CZ TYR A 82 -13.063 0.488 -7.527 1.00 0.00 C ATOM 1289 OH TYR A 82 -13.623 -0.675 -8.003 1.00 0.00 O ATOM 0 H TYR A 82 -11.364 5.102 -8.482 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.008 5.435 -6.054 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.270 4.152 -6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.326 4.084 -4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.808 3.413 -8.627 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.199 1.965 -4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.808 1.330 -9.473 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.202 -0.109 -5.483 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.720 -1.316 -7.268 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.802 7.788 -6.220 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.122 9.021 -5.857 1.00 0.00 C ATOM 1301 C VAL A 83 -11.662 9.571 -4.552 1.00 0.00 C ATOM 1302 O VAL A 83 -12.851 9.865 -4.430 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.266 10.087 -6.956 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -10.157 9.939 -7.988 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -12.634 9.995 -7.616 1.00 0.00 C ATOM 0 H VAL A 83 -12.751 7.917 -6.570 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.065 8.781 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.177 11.071 -6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.273 10.701 -8.759 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.189 10.060 -7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.213 8.950 -8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.716 10.757 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.757 9.009 -8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.410 10.153 -6.868 1.00 0.00 H new ATOM 1315 N PHE A 84 -10.778 9.700 -3.575 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.169 10.209 -2.275 1.00 0.00 C ATOM 1317 C PHE A 84 -10.039 11.018 -1.644 1.00 0.00 C ATOM 1318 O PHE A 84 -8.863 10.719 -1.848 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.566 9.056 -1.361 1.00 0.00 C ATOM 1320 CG PHE A 84 -11.996 7.824 -2.106 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.092 7.118 -2.881 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.304 7.374 -2.031 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -11.482 5.987 -3.568 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -13.702 6.242 -2.717 1.00 0.00 C ATOM 1325 CZ PHE A 84 -12.790 5.547 -3.487 1.00 0.00 C ATOM 0 H PHE A 84 -9.790 9.460 -3.659 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.026 10.869 -2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.723 8.806 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.379 9.381 -0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.069 7.457 -2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.021 7.914 -1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.766 5.446 -4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -14.725 5.901 -2.651 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.098 4.662 -4.024 1.00 0.00 H new ATOM 1335 N ASP A 85 -10.402 12.037 -0.874 1.00 0.00 N ATOM 1336 CA ASP A 85 -9.417 12.881 -0.212 1.00 0.00 C ATOM 1337 C ASP A 85 -8.906 12.227 1.059 1.00 0.00 C ATOM 1338 O ASP A 85 -8.428 12.900 1.971 1.00 0.00 O ATOM 1339 CB ASP A 85 -10.013 14.255 0.102 1.00 0.00 C ATOM 1340 CG ASP A 85 -8.960 15.255 0.541 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -7.786 15.092 0.145 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -9.309 16.198 1.281 1.00 0.00 O ATOM 0 H ASP A 85 -11.371 12.298 -0.693 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.574 13.011 -0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.526 14.636 -0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.762 14.152 0.887 1.00 0.00 H new ATOM 1347 N SER A 86 -9.012 10.910 1.111 1.00 0.00 N ATOM 1348 CA SER A 86 -8.564 10.156 2.268 1.00 0.00 C ATOM 1349 C SER A 86 -8.144 8.751 1.866 1.00 0.00 C ATOM 1350 O SER A 86 -8.987 7.888 1.614 1.00 0.00 O ATOM 1351 CB SER A 86 -9.670 10.091 3.321 1.00 0.00 C ATOM 1352 OG SER A 86 -9.641 11.229 4.165 1.00 0.00 O ATOM 0 H SER A 86 -9.406 10.340 0.363 1.00 0.00 H new ATOM 0 HA SER A 86 -7.700 10.667 2.693 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.641 10.024 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.553 9.188 3.920 1.00 0.00 H new ATOM 0 HG SER A 86 -9.261 11.989 3.677 1.00 0.00 H new ATOM 1358 N ILE A 87 -6.840 8.515 1.818 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.334 7.204 1.457 1.00 0.00 C ATOM 1360 C ILE A 87 -6.888 6.172 2.428 1.00 0.00 C ATOM 1361 O ILE A 87 -7.226 5.051 2.047 1.00 0.00 O ATOM 1362 CB ILE A 87 -4.792 7.172 1.459 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.261 7.019 0.031 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.273 6.053 2.344 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.554 8.253 -0.483 1.00 0.00 C ATOM 0 H ILE A 87 -6.121 9.209 2.023 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.661 6.971 0.444 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.432 8.117 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.573 6.174 -0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.091 6.782 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.183 6.052 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.621 6.206 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.642 5.096 1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.204 8.075 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.245 9.096 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.703 8.479 0.160 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.031 6.563 3.702 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.593 5.695 4.735 1.00 0.00 C ATOM 1379 C PRO A 88 -9.044 5.371 4.412 1.00 0.00 C ATOM 1380 O PRO A 88 -9.464 4.211 4.435 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.503 6.537 6.014 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.545 7.636 5.693 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.695 7.892 4.224 1.00 0.00 C ATOM 0 HA PRO A 88 -7.070 4.743 4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.479 6.934 6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.150 5.940 6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.770 8.532 6.271 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.523 7.347 5.937 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.480 8.619 4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.776 8.280 3.784 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.791 6.412 4.054 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.180 6.246 3.667 1.00 0.00 C ATOM 1393 C LEU A 89 -11.210 5.414 2.412 1.00 0.00 C ATOM 1394 O LEU A 89 -11.950 4.436 2.299 1.00 0.00 O ATOM 1395 CB LEU A 89 -11.839 7.602 3.414 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.652 7.701 2.120 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.740 7.982 0.936 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -13.454 6.429 1.888 1.00 0.00 C ATOM 0 H LEU A 89 -9.455 7.375 4.025 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.733 5.755 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.494 7.832 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.063 8.367 3.396 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.352 8.531 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.336 8.049 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.215 8.924 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.014 7.175 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.024 6.522 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.775 5.580 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.138 6.273 2.722 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.348 5.797 1.488 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.210 5.081 0.248 1.00 0.00 C ATOM 1412 C LEU A 90 -9.777 3.667 0.597 1.00 0.00 C ATOM 1413 O LEU A 90 -10.272 2.685 0.032 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.205 5.795 -0.650 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.242 4.899 -1.406 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.061 5.414 -2.823 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.914 4.839 -0.677 1.00 0.00 C ATOM 0 H LEU A 90 -9.733 6.605 1.581 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.147 5.042 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.756 6.397 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.625 6.485 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.651 3.890 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.368 4.766 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.024 5.419 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.661 6.427 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.227 4.194 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.492 5.842 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.067 4.438 0.325 1.00 0.00 H new ATOM 1429 N ILE A 91 -8.913 3.570 1.612 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.498 2.273 2.107 1.00 0.00 C ATOM 1431 C ILE A 91 -9.758 1.568 2.564 1.00 0.00 C ATOM 1432 O ILE A 91 -10.008 0.413 2.217 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.528 2.369 3.304 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.111 2.733 2.854 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.509 1.052 4.064 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -5.783 2.315 1.439 1.00 0.00 C ATOM 0 H ILE A 91 -8.498 4.367 2.095 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.970 1.743 1.314 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.885 3.164 3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.980 3.812 2.942 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.396 2.269 3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.822 1.128 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.511 0.829 4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.180 0.253 3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.761 2.610 1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.879 1.233 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.472 2.800 0.747 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.582 2.311 3.311 1.00 0.00 N ATOM 1449 CA GLN A 92 -11.857 1.792 3.777 1.00 0.00 C ATOM 1450 C GLN A 92 -12.714 1.460 2.569 1.00 0.00 C ATOM 1451 O GLN A 92 -13.428 0.458 2.549 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.565 2.814 4.670 1.00 0.00 C ATOM 1453 CG GLN A 92 -12.592 2.423 6.137 1.00 0.00 C ATOM 1454 CD GLN A 92 -13.391 3.394 6.984 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -14.130 4.281 6.329 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -13.344 3.349 8.213 1.00 0.00 N flip ATOM 0 H GLN A 92 -10.383 3.269 3.601 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.690 0.894 4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.068 3.779 4.569 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.588 2.944 4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.018 1.425 6.235 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.571 2.372 6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.762 2.650 8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -13.887 4.010 8.769 1.00 0.00 H new ATOM 1465 N TYR A 93 -12.602 2.301 1.547 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.332 2.095 0.309 1.00 0.00 C ATOM 1467 C TYR A 93 -12.884 0.786 -0.310 1.00 0.00 C ATOM 1468 O TYR A 93 -13.693 -0.008 -0.788 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.094 3.254 -0.662 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.071 3.294 -1.817 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -15.350 3.812 -1.652 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -13.713 2.817 -3.071 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -16.243 3.852 -2.707 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -14.600 2.854 -4.131 1.00 0.00 C ATOM 1475 CZ TYR A 93 -15.864 3.373 -3.943 1.00 0.00 C ATOM 1476 OH TYR A 93 -16.751 3.412 -4.993 1.00 0.00 O ATOM 0 H TYR A 93 -12.011 3.132 1.555 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.400 2.055 0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.156 4.194 -0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.081 3.182 -1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.651 4.189 -0.686 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.724 2.410 -3.221 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -17.234 4.257 -2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.305 2.479 -5.100 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.327 3.037 -5.793 1.00 0.00 H new ATOM 1486 N HIS A 94 -11.578 0.561 -0.260 1.00 0.00 N ATOM 1487 CA HIS A 94 -10.995 -0.666 -0.780 1.00 0.00 C ATOM 1488 C HIS A 94 -11.182 -1.796 0.226 1.00 0.00 C ATOM 1489 O HIS A 94 -10.499 -2.815 0.164 1.00 0.00 O ATOM 1490 CB HIS A 94 -9.502 -0.478 -1.068 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.178 0.786 -1.793 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.964 1.637 -2.491 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -7.901 1.294 -1.872 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -9.154 2.630 -2.982 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -7.912 2.400 -2.593 1.00 0.00 N flip ATOM 0 H HIS A 94 -10.902 1.214 0.136 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.502 -0.919 -1.712 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.956 -0.494 -0.125 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.147 -1.324 -1.657 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.972 1.556 -2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -7.026 0.856 -1.415 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.478 3.463 -3.587 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.105 -1.603 1.167 1.00 0.00 N ATOM 1505 CA GLN A 95 -12.363 -2.609 2.192 1.00 0.00 C ATOM 1506 C GLN A 95 -13.850 -2.751 2.485 1.00 0.00 C ATOM 1507 O GLN A 95 -14.332 -3.846 2.774 1.00 0.00 O ATOM 1508 CB GLN A 95 -11.612 -2.256 3.476 1.00 0.00 C ATOM 1509 CG GLN A 95 -12.463 -1.534 4.506 1.00 0.00 C ATOM 1510 CD GLN A 95 -11.635 -0.919 5.617 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -10.448 -0.431 5.271 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -12.055 -0.883 6.774 1.00 0.00 N flip ATOM 0 H GLN A 95 -12.682 -0.765 1.240 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.006 -3.566 1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.220 -3.171 3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.755 -1.631 3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.040 -0.752 4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.179 -2.234 4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.973 -1.269 6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.485 -0.467 7.511 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.576 -1.643 2.417 1.00 0.00 N ATOM 1522 CA TYR A 96 -16.006 -1.667 2.686 1.00 0.00 C ATOM 1523 C TYR A 96 -16.811 -1.032 1.554 1.00 0.00 C ATOM 1524 O TYR A 96 -18.012 -0.799 1.692 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.318 -0.974 4.014 1.00 0.00 C ATOM 1526 CG TYR A 96 -16.194 0.510 3.906 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -15.724 1.051 2.734 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -16.539 1.359 4.945 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -15.593 2.419 2.581 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -16.414 2.730 4.810 1.00 0.00 C ATOM 1531 CZ TYR A 96 -15.940 3.254 3.625 1.00 0.00 C ATOM 1532 OH TYR A 96 -15.812 4.618 3.481 1.00 0.00 O ATOM 0 H TYR A 96 -14.202 -0.724 2.180 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.303 -2.713 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.328 -1.232 4.331 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.639 -1.341 4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -15.452 0.397 1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -16.910 0.946 5.871 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -15.223 2.831 1.654 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -16.685 3.385 5.625 1.00 0.00 H new ATOM 0 HH TYR A 96 -16.099 5.062 4.306 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.149 -0.765 0.433 1.00 0.00 N ATOM 1543 CA ASN A 97 -16.812 -0.171 -0.718 1.00 0.00 C ATOM 1544 C ASN A 97 -16.441 -0.905 -2.002 1.00 0.00 C ATOM 1545 O ASN A 97 -16.149 -0.282 -3.024 1.00 0.00 O ATOM 1546 CB ASN A 97 -16.454 1.310 -0.838 1.00 0.00 C ATOM 1547 CG ASN A 97 -17.678 2.204 -0.791 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -18.145 2.689 -1.821 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -18.201 2.426 0.409 1.00 0.00 N ATOM 0 H ASN A 97 -15.155 -0.951 0.299 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.888 -0.263 -0.569 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.776 1.584 -0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.920 1.478 -1.773 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.024 3.020 0.504 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.779 2.002 1.235 1.00 0.00 H new ATOM 1556 N GLY A 98 -16.455 -2.234 -1.946 1.00 0.00 N ATOM 1557 CA GLY A 98 -16.119 -3.028 -3.112 1.00 0.00 C ATOM 1558 C GLY A 98 -14.968 -2.439 -3.904 1.00 0.00 C ATOM 1559 O GLY A 98 -15.153 -1.971 -5.028 1.00 0.00 O ATOM 0 H GLY A 98 -16.693 -2.774 -1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.859 -4.039 -2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.994 -3.110 -3.756 1.00 0.00 H new ATOM 1563 N GLY A 99 -13.776 -2.457 -3.315 1.00 0.00 N ATOM 1564 CA GLY A 99 -12.608 -1.917 -3.986 1.00 0.00 C ATOM 1565 C GLY A 99 -12.445 -2.452 -5.396 1.00 0.00 C ATOM 1566 O GLY A 99 -13.247 -2.151 -6.279 1.00 0.00 O ATOM 0 H GLY A 99 -13.599 -2.836 -2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.684 -0.830 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.717 -2.156 -3.405 1.00 0.00 H new ATOM 1570 N GLY A 100 -11.402 -3.250 -5.604 1.00 0.00 N ATOM 1571 CA GLY A 100 -11.149 -3.817 -6.915 1.00 0.00 C ATOM 1572 C GLY A 100 -9.799 -4.502 -6.997 1.00 0.00 C ATOM 1573 O GLY A 100 -9.585 -5.371 -7.842 1.00 0.00 O ATOM 0 H GLY A 100 -10.727 -3.514 -4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.933 -4.535 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.199 -3.028 -7.665 1.00 0.00 H new ATOM 1577 N LEU A 101 -8.886 -4.110 -6.114 1.00 0.00 N ATOM 1578 CA LEU A 101 -7.549 -4.689 -6.081 1.00 0.00 C ATOM 1579 C LEU A 101 -7.516 -5.912 -5.168 1.00 0.00 C ATOM 1580 O LEU A 101 -8.544 -6.316 -4.627 1.00 0.00 O ATOM 1581 CB LEU A 101 -6.538 -3.647 -5.599 1.00 0.00 C ATOM 1582 CG LEU A 101 -7.137 -2.282 -5.243 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -7.432 -2.200 -3.753 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -6.196 -1.163 -5.666 1.00 0.00 C ATOM 0 H LEU A 101 -9.049 -3.391 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.283 -5.003 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.022 -4.041 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.786 -3.506 -6.375 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.076 -2.165 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.857 -1.224 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.143 -2.980 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.508 -2.338 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.636 -0.200 -5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.242 -1.276 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.036 -1.210 -6.743 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.333 -6.496 -4.996 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.191 -7.668 -4.143 1.00 0.00 C ATOM 1598 C VAL A 102 -7.236 -7.652 -3.036 1.00 0.00 C ATOM 1599 O VAL A 102 -7.025 -7.058 -1.979 1.00 0.00 O ATOM 1600 CB VAL A 102 -4.788 -7.746 -3.514 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -4.874 -8.113 -2.039 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -3.921 -8.741 -4.268 1.00 0.00 C ATOM 0 H VAL A 102 -5.467 -6.179 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.337 -8.545 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.325 -6.762 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.870 -8.162 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.454 -7.357 -1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.360 -9.083 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.933 -8.783 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.382 -9.728 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.826 -8.426 -5.307 1.00 0.00 H new ATOM 1612 N THR A 103 -8.373 -8.289 -3.290 1.00 0.00 N ATOM 1613 CA THR A 103 -9.453 -8.324 -2.314 1.00 0.00 C ATOM 1614 C THR A 103 -9.574 -6.976 -1.620 1.00 0.00 C ATOM 1615 O THR A 103 -9.983 -6.889 -0.463 1.00 0.00 O ATOM 1616 CB THR A 103 -9.213 -9.430 -1.285 1.00 0.00 C ATOM 1617 OG1 THR A 103 -10.435 -9.837 -0.693 1.00 0.00 O ATOM 1618 CG2 THR A 103 -8.276 -9.019 -0.171 1.00 0.00 C ATOM 0 H THR A 103 -8.570 -8.786 -4.159 1.00 0.00 H new ATOM 0 HA THR A 103 -10.386 -8.537 -2.836 1.00 0.00 H new ATOM 0 HB THR A 103 -8.752 -10.247 -1.841 1.00 0.00 H new ATOM 0 HG1 THR A 103 -10.262 -10.546 -0.039 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.150 -9.850 0.523 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.308 -8.747 -0.592 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.694 -8.163 0.359 1.00 0.00 H new ATOM 1626 N ARG A 104 -9.214 -5.927 -2.349 1.00 0.00 N ATOM 1627 CA ARG A 104 -9.271 -4.566 -1.829 1.00 0.00 C ATOM 1628 C ARG A 104 -8.685 -4.490 -0.424 1.00 0.00 C ATOM 1629 O ARG A 104 -8.532 -5.507 0.252 1.00 0.00 O ATOM 1630 CB ARG A 104 -10.715 -4.065 -1.815 1.00 0.00 C ATOM 1631 CG ARG A 104 -11.588 -4.685 -2.894 1.00 0.00 C ATOM 1632 CD ARG A 104 -12.865 -5.268 -2.309 1.00 0.00 C ATOM 1633 NE ARG A 104 -12.589 -6.281 -1.295 1.00 0.00 N ATOM 1634 CZ ARG A 104 -13.448 -6.617 -0.338 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -14.631 -6.022 -0.267 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -13.124 -7.547 0.549 1.00 0.00 N ATOM 0 H ARG A 104 -8.877 -5.994 -3.309 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.676 -3.931 -2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.154 -4.276 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.716 -2.982 -1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.839 -3.930 -3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.031 -5.468 -3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.461 -4.468 -1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.462 -5.708 -3.108 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.687 -6.757 -1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.883 -5.305 -0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.289 -6.281 0.468 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.214 -8.006 0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.784 -7.804 1.283 1.00 0.00 H new ATOM 1650 N LEU A 105 -8.370 -3.276 0.019 1.00 0.00 N ATOM 1651 CA LEU A 105 -7.817 -3.077 1.351 1.00 0.00 C ATOM 1652 C LEU A 105 -8.720 -3.740 2.385 1.00 0.00 C ATOM 1653 O LEU A 105 -9.916 -3.464 2.439 1.00 0.00 O ATOM 1654 CB LEU A 105 -7.667 -1.584 1.652 1.00 0.00 C ATOM 1655 CG LEU A 105 -6.481 -0.903 0.964 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -5.279 -0.839 1.898 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -6.123 -1.640 -0.317 1.00 0.00 C ATOM 0 H LEU A 105 -8.488 -2.420 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.828 -3.534 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.583 -1.074 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.567 -1.454 2.730 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.768 0.118 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.448 -0.351 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.541 -0.271 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.987 -1.849 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.278 -1.146 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.855 -2.670 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.979 -1.633 -0.992 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.150 -4.632 3.185 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.921 -5.348 4.189 1.00 0.00 C ATOM 1671 C ARG A 106 -8.350 -5.152 5.590 1.00 0.00 C ATOM 1672 O ARG A 106 -9.021 -4.619 6.475 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.958 -6.836 3.844 1.00 0.00 C ATOM 1674 CG ARG A 106 -8.870 -7.747 5.057 1.00 0.00 C ATOM 1675 CD ARG A 106 -10.192 -7.812 5.803 1.00 0.00 C ATOM 1676 NE ARG A 106 -10.002 -7.877 7.249 1.00 0.00 N ATOM 1677 CZ ARG A 106 -9.955 -9.015 7.934 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -10.083 -10.176 7.306 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -9.781 -8.994 9.248 1.00 0.00 N ATOM 0 H ARG A 106 -7.160 -4.875 3.157 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.933 -4.942 4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.880 -7.052 3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.133 -7.064 3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.580 -8.749 4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.090 -7.387 5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.791 -6.936 5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.753 -8.686 5.471 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.900 -7.001 7.762 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.218 -10.197 6.295 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.047 -11.048 7.834 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.683 -8.103 9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.745 -9.869 9.772 1.00 0.00 H new ATOM 1693 N TYR A 107 -7.116 -5.596 5.788 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.460 -5.480 7.083 1.00 0.00 C ATOM 1695 C TYR A 107 -5.193 -4.647 6.974 1.00 0.00 C ATOM 1696 O TYR A 107 -4.357 -4.874 6.101 1.00 0.00 O ATOM 1697 CB TYR A 107 -6.126 -6.867 7.634 1.00 0.00 C ATOM 1698 CG TYR A 107 -5.449 -6.837 8.986 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -6.194 -6.744 10.154 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -4.065 -6.900 9.092 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -5.578 -6.715 11.392 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -3.442 -6.872 10.326 1.00 0.00 C ATOM 1703 CZ TYR A 107 -4.204 -6.779 11.472 1.00 0.00 C ATOM 1704 OH TYR A 107 -3.588 -6.751 12.701 1.00 0.00 O ATOM 0 H TYR A 107 -6.548 -6.041 5.067 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.145 -4.980 7.768 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.045 -7.449 7.710 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -5.479 -7.384 6.925 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.271 -6.694 10.095 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.466 -6.972 8.196 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.171 -6.643 12.292 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.365 -6.923 10.392 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.617 -6.806 12.581 1.00 0.00 H new ATOM 1714 N PRO A 108 -5.042 -3.657 7.860 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.888 -2.772 7.873 1.00 0.00 C ATOM 1716 C PRO A 108 -2.766 -3.281 8.775 1.00 0.00 C ATOM 1717 O PRO A 108 -2.644 -2.861 9.924 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.489 -1.490 8.425 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.541 -1.943 9.384 1.00 0.00 C ATOM 1720 CD PRO A 108 -6.000 -3.308 8.921 1.00 0.00 C ATOM 0 HA PRO A 108 -3.418 -2.670 6.895 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.734 -0.882 8.924 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.916 -0.879 7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.144 -1.993 10.398 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.375 -1.241 9.402 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.980 -4.034 9.734 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.022 -3.280 8.544 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.951 -4.187 8.244 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.841 -4.750 8.999 1.00 0.00 C ATOM 1730 C VAL A 109 0.398 -3.869 8.895 1.00 0.00 C ATOM 1731 O VAL A 109 1.527 -4.362 8.907 1.00 0.00 O ATOM 1732 CB VAL A 109 -0.491 -6.168 8.513 1.00 0.00 C ATOM 1733 CG1 VAL A 109 -0.135 -6.157 7.035 1.00 0.00 C ATOM 1734 CG2 VAL A 109 0.650 -6.747 9.338 1.00 0.00 C ATOM 0 H VAL A 109 -2.040 -4.546 7.293 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.161 -4.800 10.040 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.367 -6.803 8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.109 -7.169 6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.983 -5.787 6.459 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.725 -5.507 6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.885 -7.750 8.981 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.530 -6.111 9.239 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.354 -6.795 10.386 1.00 0.00 H new ATOM 1744 N CYS A 110 0.182 -2.561 8.793 1.00 0.00 N ATOM 1745 CA CYS A 110 1.282 -1.609 8.687 1.00 0.00 C ATOM 1746 C CYS A 110 2.595 -2.238 9.146 1.00 0.00 C ATOM 1747 O CYS A 110 3.025 -2.040 10.281 1.00 0.00 O ATOM 1748 CB CYS A 110 0.985 -0.360 9.518 1.00 0.00 C ATOM 1749 SG CYS A 110 0.047 -0.684 11.029 1.00 0.00 S ATOM 0 H CYS A 110 -0.745 -2.136 8.782 1.00 0.00 H new ATOM 0 HA CYS A 110 1.383 -1.326 7.639 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.927 0.119 9.784 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.430 0.349 8.903 1.00 0.00 H new ATOM 0 HG CYS A 110 -1.072 -1.273 10.727 1.00 0.00 H new ATOM 1755 N GLY A 111 3.223 -2.999 8.256 1.00 0.00 N ATOM 1756 CA GLY A 111 4.478 -3.647 8.589 1.00 0.00 C ATOM 1757 C GLY A 111 4.487 -4.208 9.996 1.00 0.00 C ATOM 1758 O GLY A 111 4.822 -3.456 10.935 1.00 0.00 O ATOM 0 H GLY A 111 2.885 -3.179 7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.667 -4.452 7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.292 -2.931 8.482 1.00 0.00 H new TER 1762 GLY A 111 HETATM 1763 C ACE B 118 2.639 2.738 -11.998 1.00 0.00 C HETATM 1764 O ACE B 118 1.974 1.936 -11.343 1.00 0.00 O HETATM 1765 CH3 ACE B 118 3.060 4.059 -11.404 1.00 0.00 C HETATM 0 H1 ACE B 118 4.148 4.125 -11.398 1.00 0.00 H new HETATM 0 H2 ACE B 118 2.651 4.874 -12.001 1.00 0.00 H new HETATM 0 H3 ACE B 118 2.686 4.134 -10.383 1.00 0.00 H new ATOM 1769 N ALA B 119 3.023 2.507 -13.250 1.00 0.00 N ATOM 1770 CA ALA B 119 2.680 1.269 -13.939 1.00 0.00 C ATOM 1771 C ALA B 119 3.162 0.053 -13.156 1.00 0.00 C ATOM 1772 O ALA B 119 2.392 -0.867 -12.883 1.00 0.00 O ATOM 1773 CB ALA B 119 3.268 1.266 -15.341 1.00 0.00 C ATOM 0 H ALA B 119 3.572 3.162 -13.807 1.00 0.00 H new ATOM 0 HA ALA B 119 1.594 1.212 -14.013 1.00 0.00 H new ATOM 0 HB1 ALA B 119 3.004 0.336 -15.844 1.00 0.00 H new ATOM 0 HB2 ALA B 119 2.869 2.109 -15.905 1.00 0.00 H new ATOM 0 HB3 ALA B 119 4.353 1.351 -15.281 1.00 0.00 H new ATOM 1779 N ASP B 120 4.443 0.056 -12.801 1.00 0.00 N ATOM 1780 CA ASP B 120 5.028 -1.048 -12.049 1.00 0.00 C ATOM 1781 C ASP B 120 4.457 -1.109 -10.636 1.00 0.00 C ATOM 1782 O ASP B 120 4.501 -2.152 -9.981 1.00 0.00 O ATOM 1783 CB ASP B 120 6.550 -0.901 -11.990 1.00 0.00 C ATOM 1784 CG ASP B 120 7.001 0.531 -12.195 1.00 0.00 C ATOM 1785 OD1 ASP B 120 6.698 1.100 -13.265 1.00 0.00 O ATOM 1786 OD2 ASP B 120 7.656 1.084 -11.288 1.00 0.00 O ATOM 0 H ASP B 120 5.095 0.809 -13.022 1.00 0.00 H new ATOM 0 HA ASP B 120 4.778 -1.977 -12.562 1.00 0.00 H new ATOM 0 HB2 ASP B 120 6.909 -1.257 -11.025 1.00 0.00 H new ATOM 0 HB3 ASP B 120 7.003 -1.534 -12.753 1.00 0.00 H new HETATM 1791 N PTR B 121 3.921 0.015 -10.171 1.00 0.00 N HETATM 1792 CA PTR B 121 3.340 0.089 -8.836 1.00 0.00 C HETATM 1793 C PTR B 121 1.979 -0.596 -8.796 1.00 0.00 C HETATM 1794 O PTR B 121 1.030 -0.078 -8.205 1.00 0.00 O HETATM 1795 CB PTR B 121 3.199 1.548 -8.398 1.00 0.00 C HETATM 1796 CG PTR B 121 3.726 1.818 -7.008 1.00 0.00 C HETATM 1797 CD1 PTR B 121 3.263 1.092 -5.917 1.00 0.00 C HETATM 1798 CD2 PTR B 121 4.685 2.796 -6.786 1.00 0.00 C HETATM 1799 CE1 PTR B 121 3.743 1.334 -4.645 1.00 0.00 C HETATM 1800 CE2 PTR B 121 5.171 3.045 -5.516 1.00 0.00 C HETATM 1801 CZ PTR B 121 4.696 2.312 -4.449 1.00 0.00 C HETATM 1802 OH PTR B 121 5.179 2.556 -3.185 1.00 0.00 O HETATM 1803 P PTR B 121 6.772 2.778 -3.251 1.00 0.00 P HETATM 1804 O1P PTR B 121 7.501 1.752 -4.253 1.00 0.00 O HETATM 1805 O2P PTR B 121 7.263 2.673 -1.859 1.00 0.00 O HETATM 1806 O3P PTR B 121 6.989 4.246 -3.876 1.00 0.00 O HETATM 0 HE2 PTR B 121 5.925 3.816 -5.359 1.00 0.00 H new HETATM 0 HE1 PTR B 121 3.371 0.755 -3.800 1.00 0.00 H new HETATM 0 HD2 PTR B 121 5.062 3.378 -7.627 1.00 0.00 H new HETATM 0 HD1 PTR B 121 2.509 0.319 -6.068 1.00 0.00 H new HETATM 0 HB3 PTR B 121 3.728 2.184 -9.108 1.00 0.00 H new HETATM 0 HB2 PTR B 121 2.147 1.831 -8.440 1.00 0.00 H new HETATM 0 HA PTR B 121 4.009 -0.428 -8.148 1.00 0.00 H new ATOM 1815 N GLU B 122 1.888 -1.762 -9.427 1.00 0.00 N ATOM 1816 CA GLU B 122 0.638 -2.512 -9.461 1.00 0.00 C ATOM 1817 C GLU B 122 -0.547 -1.593 -9.190 1.00 0.00 C ATOM 1818 O GLU B 122 -1.362 -1.855 -8.305 1.00 0.00 O ATOM 1819 CB GLU B 122 0.666 -3.645 -8.433 1.00 0.00 C ATOM 1820 CG GLU B 122 1.811 -3.535 -7.437 1.00 0.00 C ATOM 1821 CD GLU B 122 2.692 -4.769 -7.423 1.00 0.00 C ATOM 1822 OE1 GLU B 122 2.287 -5.782 -6.815 1.00 0.00 O ATOM 1823 OE2 GLU B 122 3.787 -4.723 -8.023 1.00 0.00 O ATOM 0 H GLU B 122 2.662 -2.207 -9.920 1.00 0.00 H new ATOM 0 HA GLU B 122 0.526 -2.942 -10.456 1.00 0.00 H new ATOM 0 HB2 GLU B 122 -0.278 -3.654 -7.889 1.00 0.00 H new ATOM 0 HB3 GLU B 122 0.741 -4.598 -8.957 1.00 0.00 H new ATOM 0 HG2 GLU B 122 2.417 -2.663 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU B 122 1.405 -3.372 -6.439 1.00 0.00 H new ATOM 1830 N PRO B 123 -0.653 -0.495 -9.955 1.00 0.00 N ATOM 1831 CA PRO B 123 -1.739 0.477 -9.803 1.00 0.00 C ATOM 1832 C PRO B 123 -3.098 -0.111 -10.165 1.00 0.00 C ATOM 1833 O PRO B 123 -3.200 -1.271 -10.563 1.00 0.00 O ATOM 1834 CB PRO B 123 -1.362 1.593 -10.781 1.00 0.00 C ATOM 1835 CG PRO B 123 -0.468 0.944 -11.779 1.00 0.00 C ATOM 1836 CD PRO B 123 0.282 -0.119 -11.028 1.00 0.00 C ATOM 0 HA PRO B 123 -1.840 0.814 -8.771 1.00 0.00 H new ATOM 0 HB2 PRO B 123 -2.246 2.015 -11.259 1.00 0.00 H new ATOM 0 HB3 PRO B 123 -0.855 2.411 -10.270 1.00 0.00 H new ATOM 0 HG2 PRO B 123 -1.044 0.512 -12.597 1.00 0.00 H new ATOM 0 HG3 PRO B 123 0.217 1.668 -12.220 1.00 0.00 H new ATOM 0 HD2 PRO B 123 0.525 -0.968 -11.667 1.00 0.00 H new ATOM 0 HD3 PRO B 123 1.223 0.258 -10.628 1.00 0.00 H new ATOM 1844 N PRO B 124 -4.162 0.693 -10.032 1.00 0.00 N ATOM 1845 CA PRO B 124 -5.528 0.260 -10.344 1.00 0.00 C ATOM 1846 C PRO B 124 -5.671 -0.198 -11.792 1.00 0.00 C ATOM 1847 O PRO B 124 -5.054 0.361 -12.698 1.00 0.00 O ATOM 1848 CB PRO B 124 -6.377 1.514 -10.095 1.00 0.00 C ATOM 1849 CG PRO B 124 -5.411 2.650 -10.080 1.00 0.00 C ATOM 1850 CD PRO B 124 -4.118 2.085 -9.567 1.00 0.00 C ATOM 0 HA PRO B 124 -5.828 -0.596 -9.739 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -7.124 1.644 -10.878 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.915 1.443 -9.149 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.285 3.069 -11.078 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -5.767 3.456 -9.439 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -3.256 2.618 -9.969 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -4.053 2.146 -8.481 1.00 0.00 H new HETATM 1858 N NH2 B 125 -6.487 -1.220 -12.021 1.00 0.00 N TER 1859 NH2 B 125