USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 745 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 THR OG1 : rot -157:sc= 0.239 USER MOD Set 1.2: A 65 HIS :FLIP no HD1:sc= -1.37 F(o=-3,f=-1.1) USER MOD Set 2.1: A 35 ASN :FLIP amide:sc= 0.986 F(o=-0.83!,f=1.4) USER MOD Set 2.2: A 38 ASN : amide:sc= 0.401 K(o=1.4,f=-0.83) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 22:sc= 0.0735 USER MOD Single : A 17 TYR OH : rot 180:sc= -1.45 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 149:sc= -0.631 USER MOD Single : A 29 SER OG : rot 27:sc= 0.548 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 46:sc= 1.19 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 52 SER OG : rot 8:sc= 0.76 USER MOD Single : A 53 LYS NZ :NH3+ 153:sc= -0.16 (180deg=-0.94) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.08! F(o=-1.6,f=-1.1!) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -6.05! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 168:sc= -1.24 (180deg=-1.79) USER MOD Single : A 76 ASN : amide:sc= -4.76! C(o=-4.8!,f=-9.4!) USER MOD Single : A 77 TYR OH : rot 6:sc= 1.2 USER MOD Single : A 82 LYS NZ :NH3+ 153:sc= 0.597 (180deg=0.231) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.697 X(o=-0.7,f=-0.61) USER MOD Single : A 92 SER OG : rot -6:sc= 1.23 USER MOD Single : A 95 LYS NZ :NH3+ 144:sc= -1.37 (180deg=-3.29!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.821 -24.495 -20.163 1.00 0.00 N ATOM 2 CA GLY A 1 7.604 -24.237 -21.358 1.00 0.00 C ATOM 3 C GLY A 1 9.095 -24.240 -21.086 1.00 0.00 C ATOM 4 O GLY A 1 9.696 -25.298 -20.896 1.00 0.00 O ATOM 0 H1 GLY A 1 5.809 -24.482 -20.402 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.074 -25.427 -19.777 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.018 -23.761 -19.453 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.373 -24.992 -22.110 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.316 -23.272 -21.776 1.00 0.00 H new ATOM 8 N SER A 2 9.694 -23.054 -21.068 1.00 0.00 N ATOM 9 CA SER A 2 11.126 -22.925 -20.822 1.00 0.00 C ATOM 10 C SER A 2 11.487 -23.434 -19.430 1.00 0.00 C ATOM 11 O SER A 2 10.618 -23.605 -18.575 1.00 0.00 O ATOM 12 CB SER A 2 11.560 -21.465 -20.972 1.00 0.00 C ATOM 13 OG SER A 2 10.894 -20.636 -20.036 1.00 0.00 O ATOM 0 H SER A 2 9.211 -22.169 -21.221 1.00 0.00 H new ATOM 0 HA SER A 2 11.652 -23.532 -21.559 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.638 -21.386 -20.830 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.346 -21.121 -21.984 1.00 0.00 H new ATOM 0 HG SER A 2 11.190 -19.709 -20.151 1.00 0.00 H new ATOM 19 N SER A 3 12.776 -23.674 -19.211 1.00 0.00 N ATOM 20 CA SER A 3 13.253 -24.168 -17.924 1.00 0.00 C ATOM 21 C SER A 3 13.714 -23.016 -17.038 1.00 0.00 C ATOM 22 O SER A 3 13.970 -21.912 -17.517 1.00 0.00 O ATOM 23 CB SER A 3 14.400 -25.160 -18.129 1.00 0.00 C ATOM 24 OG SER A 3 14.570 -25.984 -16.988 1.00 0.00 O ATOM 0 H SER A 3 13.508 -23.535 -19.907 1.00 0.00 H new ATOM 0 HA SER A 3 12.426 -24.677 -17.428 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.198 -25.780 -19.002 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.323 -24.617 -18.331 1.00 0.00 H new ATOM 0 HG SER A 3 15.307 -26.610 -17.144 1.00 0.00 H new ATOM 30 N GLY A 4 13.818 -23.281 -15.739 1.00 0.00 N ATOM 31 CA GLY A 4 14.248 -22.258 -14.804 1.00 0.00 C ATOM 32 C GLY A 4 13.090 -21.642 -14.046 1.00 0.00 C ATOM 33 O GLY A 4 12.147 -21.129 -14.649 1.00 0.00 O ATOM 0 H GLY A 4 13.612 -24.187 -15.318 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.953 -22.692 -14.095 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.781 -21.476 -15.345 1.00 0.00 H new ATOM 37 N SER A 5 13.159 -21.692 -12.719 1.00 0.00 N ATOM 38 CA SER A 5 12.105 -21.139 -11.877 1.00 0.00 C ATOM 39 C SER A 5 12.632 -20.829 -10.480 1.00 0.00 C ATOM 40 O SER A 5 13.451 -21.569 -9.935 1.00 0.00 O ATOM 41 CB SER A 5 10.931 -22.116 -11.786 1.00 0.00 C ATOM 42 OG SER A 5 9.897 -21.596 -10.969 1.00 0.00 O ATOM 0 H SER A 5 13.934 -22.110 -12.204 1.00 0.00 H new ATOM 0 HA SER A 5 11.761 -20.210 -12.331 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.543 -22.317 -12.785 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.276 -23.067 -11.380 1.00 0.00 H new ATOM 0 HG SER A 5 9.158 -22.238 -10.928 1.00 0.00 H new ATOM 48 N SER A 6 12.156 -19.729 -9.905 1.00 0.00 N ATOM 49 CA SER A 6 12.582 -19.317 -8.573 1.00 0.00 C ATOM 50 C SER A 6 11.380 -19.140 -7.649 1.00 0.00 C ATOM 51 O SER A 6 10.411 -18.467 -7.996 1.00 0.00 O ATOM 52 CB SER A 6 13.378 -18.013 -8.649 1.00 0.00 C ATOM 53 OG SER A 6 14.108 -17.791 -7.455 1.00 0.00 O ATOM 0 H SER A 6 11.475 -19.107 -10.341 1.00 0.00 H new ATOM 0 HA SER A 6 13.221 -20.100 -8.164 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.063 -18.050 -9.496 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.699 -17.178 -8.824 1.00 0.00 H new ATOM 0 HG SER A 6 14.610 -16.952 -7.529 1.00 0.00 H new ATOM 59 N GLY A 7 11.453 -19.750 -6.470 1.00 0.00 N ATOM 60 CA GLY A 7 10.366 -19.648 -5.514 1.00 0.00 C ATOM 61 C GLY A 7 10.859 -19.526 -4.086 1.00 0.00 C ATOM 62 O GLY A 7 11.582 -18.588 -3.749 1.00 0.00 O ATOM 0 H GLY A 7 12.245 -20.313 -6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.752 -18.781 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.727 -20.527 -5.601 1.00 0.00 H new ATOM 66 N ALA A 8 10.467 -20.476 -3.243 1.00 0.00 N ATOM 67 CA ALA A 8 10.874 -20.471 -1.843 1.00 0.00 C ATOM 68 C ALA A 8 10.337 -19.241 -1.120 1.00 0.00 C ATOM 69 O ALA A 8 11.043 -18.616 -0.330 1.00 0.00 O ATOM 70 CB ALA A 8 12.391 -20.529 -1.735 1.00 0.00 C ATOM 0 H ALA A 8 9.868 -21.259 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 8 10.452 -21.355 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.681 -20.525 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.755 -21.441 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 8 12.825 -19.663 -2.235 1.00 0.00 H new ATOM 76 N GLY A 9 9.082 -18.898 -1.395 1.00 0.00 N ATOM 77 CA GLY A 9 8.473 -17.743 -0.763 1.00 0.00 C ATOM 78 C GLY A 9 7.536 -18.127 0.366 1.00 0.00 C ATOM 79 O GLY A 9 7.150 -19.289 0.493 1.00 0.00 O ATOM 0 H GLY A 9 8.476 -19.400 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.255 -17.090 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.922 -17.172 -1.510 1.00 0.00 H new ATOM 83 N ASP A 10 7.171 -17.149 1.188 1.00 0.00 N ATOM 84 CA ASP A 10 6.275 -17.391 2.312 1.00 0.00 C ATOM 85 C ASP A 10 5.565 -16.106 2.727 1.00 0.00 C ATOM 86 O ASP A 10 6.149 -15.219 3.351 1.00 0.00 O ATOM 87 CB ASP A 10 7.052 -17.965 3.498 1.00 0.00 C ATOM 88 CG ASP A 10 7.373 -19.436 3.322 1.00 0.00 C ATOM 89 OD1 ASP A 10 6.444 -20.214 3.019 1.00 0.00 O ATOM 90 OD2 ASP A 10 8.553 -19.809 3.486 1.00 0.00 O ATOM 0 H ASP A 10 7.482 -16.182 1.097 1.00 0.00 H new ATOM 0 HA ASP A 10 5.524 -18.115 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.979 -17.406 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.470 -17.830 4.410 1.00 0.00 H new ATOM 95 N PRO A 11 4.276 -16.000 2.373 1.00 0.00 N ATOM 96 CA PRO A 11 3.459 -14.827 2.698 1.00 0.00 C ATOM 97 C PRO A 11 3.159 -14.725 4.189 1.00 0.00 C ATOM 98 O PRO A 11 3.077 -13.629 4.742 1.00 0.00 O ATOM 99 CB PRO A 11 2.169 -15.063 1.908 1.00 0.00 C ATOM 100 CG PRO A 11 2.094 -16.541 1.738 1.00 0.00 C ATOM 101 CD PRO A 11 3.516 -17.018 1.628 1.00 0.00 C ATOM 0 HA PRO A 11 3.965 -13.895 2.446 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.301 -14.682 2.445 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.196 -14.555 0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.591 -17.006 2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.524 -16.803 0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.642 -18.010 2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.840 -17.081 0.589 1.00 0.00 H new ATOM 109 N GLY A 12 2.996 -15.875 4.836 1.00 0.00 N ATOM 110 CA GLY A 12 2.707 -15.892 6.258 1.00 0.00 C ATOM 111 C GLY A 12 3.727 -15.114 7.066 1.00 0.00 C ATOM 112 O GLY A 12 3.398 -14.532 8.101 1.00 0.00 O ATOM 0 H GLY A 12 3.059 -16.795 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.716 -15.472 6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.681 -16.924 6.608 1.00 0.00 H new ATOM 116 N LEU A 13 4.970 -15.105 6.596 1.00 0.00 N ATOM 117 CA LEU A 13 6.043 -14.395 7.283 1.00 0.00 C ATOM 118 C LEU A 13 6.219 -12.991 6.712 1.00 0.00 C ATOM 119 O LEU A 13 7.286 -12.389 6.835 1.00 0.00 O ATOM 120 CB LEU A 13 7.354 -15.174 7.166 1.00 0.00 C ATOM 121 CG LEU A 13 7.283 -16.662 7.512 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.663 -17.295 7.431 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.684 -16.860 8.897 1.00 0.00 C ATOM 0 H LEU A 13 5.259 -15.582 5.742 1.00 0.00 H new ATOM 0 HA LEU A 13 5.773 -14.308 8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.722 -15.076 6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.092 -14.705 7.817 1.00 0.00 H new ATOM 0 HG LEU A 13 6.637 -17.154 6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.593 -18.354 7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.055 -17.186 6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.332 -16.800 8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.641 -17.925 9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.304 -16.354 9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.677 -16.443 8.921 1.00 0.00 H new ATOM 135 N VAL A 14 5.165 -12.475 6.088 1.00 0.00 N ATOM 136 CA VAL A 14 5.202 -11.141 5.500 1.00 0.00 C ATOM 137 C VAL A 14 4.046 -10.286 6.005 1.00 0.00 C ATOM 138 O VAL A 14 2.891 -10.711 5.987 1.00 0.00 O ATOM 139 CB VAL A 14 5.147 -11.203 3.962 1.00 0.00 C ATOM 140 CG1 VAL A 14 4.987 -9.809 3.377 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.392 -11.882 3.412 1.00 0.00 C ATOM 0 H VAL A 14 4.275 -12.960 5.977 1.00 0.00 H new ATOM 0 HA VAL A 14 6.145 -10.688 5.804 1.00 0.00 H new ATOM 0 HB VAL A 14 4.279 -11.795 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.950 -9.873 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.063 -9.363 3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.833 -9.190 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.337 -11.917 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.276 -11.319 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.457 -12.897 3.805 1.00 0.00 H new ATOM 151 N SER A 15 4.364 -9.076 6.455 1.00 0.00 N ATOM 152 CA SER A 15 3.352 -8.161 6.969 1.00 0.00 C ATOM 153 C SER A 15 3.706 -6.715 6.633 1.00 0.00 C ATOM 154 O SER A 15 4.823 -6.421 6.209 1.00 0.00 O ATOM 155 CB SER A 15 3.208 -8.324 8.483 1.00 0.00 C ATOM 156 OG SER A 15 2.365 -9.418 8.800 1.00 0.00 O ATOM 0 H SER A 15 5.315 -8.707 6.474 1.00 0.00 H new ATOM 0 HA SER A 15 2.402 -8.405 6.493 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.190 -8.476 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.800 -7.410 8.913 1.00 0.00 H new ATOM 0 HG SER A 15 2.334 -10.037 8.041 1.00 0.00 H new ATOM 162 N ALA A 16 2.746 -5.817 6.826 1.00 0.00 N ATOM 163 CA ALA A 16 2.955 -4.402 6.546 1.00 0.00 C ATOM 164 C ALA A 16 2.518 -3.539 7.724 1.00 0.00 C ATOM 165 O ALA A 16 1.468 -3.773 8.323 1.00 0.00 O ATOM 166 CB ALA A 16 2.206 -3.997 5.285 1.00 0.00 C ATOM 0 H ALA A 16 1.815 -6.045 7.175 1.00 0.00 H new ATOM 0 HA ALA A 16 4.022 -4.242 6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.371 -2.938 5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.570 -4.584 4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.140 -4.179 5.421 1.00 0.00 H new ATOM 172 N TYR A 17 3.330 -2.540 8.053 1.00 0.00 N ATOM 173 CA TYR A 17 3.029 -1.643 9.162 1.00 0.00 C ATOM 174 C TYR A 17 3.233 -0.187 8.757 1.00 0.00 C ATOM 175 O TYR A 17 4.118 0.130 7.963 1.00 0.00 O ATOM 176 CB TYR A 17 3.908 -1.977 10.369 1.00 0.00 C ATOM 177 CG TYR A 17 5.389 -1.947 10.065 1.00 0.00 C ATOM 178 CD1 TYR A 17 6.100 -0.754 10.097 1.00 0.00 C ATOM 179 CD2 TYR A 17 6.077 -3.111 9.746 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.454 -0.721 9.820 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.430 -3.089 9.469 1.00 0.00 C ATOM 182 CZ TYR A 17 8.114 -1.891 9.507 1.00 0.00 C ATOM 183 OH TYR A 17 9.461 -1.864 9.230 1.00 0.00 O ATOM 0 H TYR A 17 4.202 -2.331 7.567 1.00 0.00 H new ATOM 0 HA TYR A 17 1.983 -1.782 9.434 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.695 -1.269 11.170 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.641 -2.967 10.739 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.586 0.164 10.343 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.544 -4.050 9.714 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.992 0.215 9.849 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.949 -4.004 9.224 1.00 0.00 H new ATOM 0 HH TYR A 17 9.772 -2.772 9.030 1.00 0.00 H new ATOM 193 N GLY A 18 2.407 0.696 9.310 1.00 0.00 N ATOM 194 CA GLY A 18 2.513 2.109 8.995 1.00 0.00 C ATOM 195 C GLY A 18 1.168 2.808 9.008 1.00 0.00 C ATOM 196 O GLY A 18 0.114 2.173 9.007 1.00 0.00 O ATOM 0 H GLY A 18 1.667 0.458 9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.176 2.590 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.970 2.226 8.013 1.00 0.00 H new ATOM 200 N PRO A 19 1.194 4.149 9.023 1.00 0.00 N ATOM 201 CA PRO A 19 -0.024 4.965 9.039 1.00 0.00 C ATOM 202 C PRO A 19 -0.784 4.897 7.719 1.00 0.00 C ATOM 203 O PRO A 19 -1.968 5.223 7.655 1.00 0.00 O ATOM 204 CB PRO A 19 0.501 6.382 9.281 1.00 0.00 C ATOM 205 CG PRO A 19 1.899 6.361 8.767 1.00 0.00 C ATOM 206 CD PRO A 19 2.415 4.973 9.026 1.00 0.00 C ATOM 0 HA PRO A 19 -0.733 4.624 9.793 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.103 7.123 8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.472 6.639 10.340 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.927 6.595 7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.512 7.106 9.274 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.116 4.655 8.255 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.940 4.911 9.979 1.00 0.00 H new ATOM 214 N GLY A 20 -0.094 4.469 6.665 1.00 0.00 N ATOM 215 CA GLY A 20 -0.721 4.365 5.360 1.00 0.00 C ATOM 216 C GLY A 20 -1.758 3.261 5.301 1.00 0.00 C ATOM 217 O GLY A 20 -2.792 3.405 4.648 1.00 0.00 O ATOM 0 H GLY A 20 0.887 4.193 6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.192 5.316 5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.045 4.181 4.606 1.00 0.00 H new ATOM 221 N LEU A 21 -1.481 2.155 5.983 1.00 0.00 N ATOM 222 CA LEU A 21 -2.398 1.021 6.004 1.00 0.00 C ATOM 223 C LEU A 21 -3.630 1.332 6.847 1.00 0.00 C ATOM 224 O LEU A 21 -4.680 0.711 6.682 1.00 0.00 O ATOM 225 CB LEU A 21 -1.692 -0.221 6.552 1.00 0.00 C ATOM 226 CG LEU A 21 -0.337 -0.554 5.925 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.528 -1.331 6.905 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.525 -1.340 4.636 1.00 0.00 C ATOM 0 H LEU A 21 -0.630 2.020 6.528 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.720 0.827 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.551 -0.091 7.625 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.352 -1.078 6.419 1.00 0.00 H new ATOM 0 HG LEU A 21 0.171 0.380 5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.488 -1.559 6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.691 -0.732 7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.026 -2.260 7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.449 -1.568 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.054 -2.269 4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.105 -0.747 3.929 1.00 0.00 H new ATOM 240 N GLU A 22 -3.495 2.299 7.749 1.00 0.00 N ATOM 241 CA GLU A 22 -4.599 2.694 8.616 1.00 0.00 C ATOM 242 C GLU A 22 -5.322 3.915 8.056 1.00 0.00 C ATOM 243 O GLU A 22 -6.505 4.126 8.320 1.00 0.00 O ATOM 244 CB GLU A 22 -4.087 2.993 10.027 1.00 0.00 C ATOM 245 CG GLU A 22 -4.025 1.768 10.924 1.00 0.00 C ATOM 246 CD GLU A 22 -5.344 1.482 11.614 1.00 0.00 C ATOM 247 OE1 GLU A 22 -6.381 1.443 10.918 1.00 0.00 O ATOM 248 OE2 GLU A 22 -5.341 1.297 12.849 1.00 0.00 O ATOM 0 H GLU A 22 -2.633 2.823 7.898 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.305 1.865 8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.092 3.433 9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.734 3.739 10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.735 0.902 10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.250 1.912 11.676 1.00 0.00 H new ATOM 255 N GLY A 23 -4.600 4.719 7.280 1.00 0.00 N ATOM 256 CA GLY A 23 -5.187 5.910 6.696 1.00 0.00 C ATOM 257 C GLY A 23 -4.541 7.184 7.202 1.00 0.00 C ATOM 258 O GLY A 23 -3.365 7.191 7.561 1.00 0.00 O ATOM 0 H GLY A 23 -3.619 4.566 7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.091 5.864 5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.253 5.933 6.921 1.00 0.00 H new ATOM 262 N GLY A 24 -5.313 8.267 7.230 1.00 0.00 N ATOM 263 CA GLY A 24 -4.790 9.538 7.696 1.00 0.00 C ATOM 264 C GLY A 24 -5.683 10.704 7.322 1.00 0.00 C ATOM 265 O GLY A 24 -6.873 10.713 7.640 1.00 0.00 O ATOM 0 H GLY A 24 -6.290 8.286 6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.675 9.505 8.779 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.797 9.695 7.275 1.00 0.00 H new ATOM 269 N THR A 25 -5.109 11.693 6.644 1.00 0.00 N ATOM 270 CA THR A 25 -5.859 12.871 6.228 1.00 0.00 C ATOM 271 C THR A 25 -5.711 13.117 4.731 1.00 0.00 C ATOM 272 O THR A 25 -4.756 12.655 4.106 1.00 0.00 O ATOM 273 CB THR A 25 -5.400 14.128 6.991 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.784 14.033 8.367 1.00 0.00 O ATOM 275 CG2 THR A 25 -6.001 15.384 6.377 1.00 0.00 C ATOM 0 H THR A 25 -4.126 11.701 6.371 1.00 0.00 H new ATOM 0 HA THR A 25 -6.906 12.677 6.460 1.00 0.00 H new ATOM 0 HB THR A 25 -4.314 14.192 6.921 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.487 14.835 8.846 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.663 16.258 6.933 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.683 15.469 5.338 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.089 15.325 6.420 1.00 0.00 H new ATOM 283 N THR A 26 -6.662 13.849 4.159 1.00 0.00 N ATOM 284 CA THR A 26 -6.638 14.156 2.734 1.00 0.00 C ATOM 285 C THR A 26 -5.502 15.115 2.398 1.00 0.00 C ATOM 286 O THR A 26 -5.087 15.918 3.233 1.00 0.00 O ATOM 287 CB THR A 26 -7.970 14.773 2.270 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.399 15.772 3.202 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.044 13.704 2.135 1.00 0.00 C ATOM 0 H THR A 26 -7.459 14.240 4.661 1.00 0.00 H new ATOM 0 HA THR A 26 -6.481 13.213 2.210 1.00 0.00 H new ATOM 0 HB THR A 26 -7.811 15.232 1.294 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.900 16.468 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.976 14.164 1.806 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.728 12.961 1.403 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.199 13.220 3.099 1.00 0.00 H new ATOM 297 N GLY A 27 -5.002 15.026 1.169 1.00 0.00 N ATOM 298 CA GLY A 27 -3.919 15.893 0.744 1.00 0.00 C ATOM 299 C GLY A 27 -2.625 15.606 1.479 1.00 0.00 C ATOM 300 O GLY A 27 -1.710 16.430 1.486 1.00 0.00 O ATOM 0 H GLY A 27 -5.328 14.369 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.759 15.772 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.204 16.932 0.908 1.00 0.00 H new ATOM 304 N VAL A 28 -2.547 14.434 2.102 1.00 0.00 N ATOM 305 CA VAL A 28 -1.355 14.040 2.844 1.00 0.00 C ATOM 306 C VAL A 28 -0.801 12.716 2.330 1.00 0.00 C ATOM 307 O VAL A 28 -1.506 11.708 2.296 1.00 0.00 O ATOM 308 CB VAL A 28 -1.649 13.912 4.350 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.434 13.367 5.087 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.075 15.254 4.926 1.00 0.00 C ATOM 0 H VAL A 28 -3.295 13.741 2.108 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.613 14.824 2.692 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.471 13.208 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.660 13.283 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.180 12.384 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.409 14.043 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.279 15.145 5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.276 15.982 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.976 15.599 4.418 1.00 0.00 H new ATOM 320 N SER A 29 0.468 12.726 1.932 1.00 0.00 N ATOM 321 CA SER A 29 1.117 11.527 1.417 1.00 0.00 C ATOM 322 C SER A 29 1.185 10.443 2.489 1.00 0.00 C ATOM 323 O SER A 29 1.843 10.610 3.515 1.00 0.00 O ATOM 324 CB SER A 29 2.526 11.857 0.920 1.00 0.00 C ATOM 325 OG SER A 29 3.325 12.381 1.966 1.00 0.00 O ATOM 0 H SER A 29 1.066 13.552 1.957 1.00 0.00 H new ATOM 0 HA SER A 29 0.524 11.153 0.583 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.993 10.958 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.468 12.579 0.106 1.00 0.00 H new ATOM 0 HG SER A 29 3.004 12.038 2.826 1.00 0.00 H new ATOM 331 N SER A 30 0.498 9.332 2.242 1.00 0.00 N ATOM 332 CA SER A 30 0.476 8.221 3.187 1.00 0.00 C ATOM 333 C SER A 30 1.273 7.036 2.650 1.00 0.00 C ATOM 334 O SER A 30 1.052 6.584 1.527 1.00 0.00 O ATOM 335 CB SER A 30 -0.965 7.795 3.472 1.00 0.00 C ATOM 336 OG SER A 30 -1.809 8.922 3.629 1.00 0.00 O ATOM 0 H SER A 30 -0.050 9.177 1.396 1.00 0.00 H new ATOM 0 HA SER A 30 0.938 8.556 4.116 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.332 7.173 2.655 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.995 7.186 4.375 1.00 0.00 H new ATOM 0 HG SER A 30 -2.725 8.622 3.809 1.00 0.00 H new ATOM 342 N GLU A 31 2.200 6.538 3.462 1.00 0.00 N ATOM 343 CA GLU A 31 3.030 5.405 3.068 1.00 0.00 C ATOM 344 C GLU A 31 3.077 4.355 4.174 1.00 0.00 C ATOM 345 O GLU A 31 2.519 4.549 5.254 1.00 0.00 O ATOM 346 CB GLU A 31 4.448 5.875 2.737 1.00 0.00 C ATOM 347 CG GLU A 31 5.181 6.484 3.921 1.00 0.00 C ATOM 348 CD GLU A 31 6.553 7.011 3.549 1.00 0.00 C ATOM 349 OE1 GLU A 31 6.645 8.185 3.133 1.00 0.00 O ATOM 350 OE2 GLU A 31 7.535 6.250 3.676 1.00 0.00 O ATOM 0 H GLU A 31 2.395 6.900 4.395 1.00 0.00 H new ATOM 0 HA GLU A 31 2.587 4.954 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.023 5.029 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.400 6.610 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.584 7.297 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.284 5.734 4.705 1.00 0.00 H new ATOM 357 N PHE A 32 3.746 3.241 3.896 1.00 0.00 N ATOM 358 CA PHE A 32 3.864 2.158 4.865 1.00 0.00 C ATOM 359 C PHE A 32 5.015 1.225 4.500 1.00 0.00 C ATOM 360 O PHE A 32 5.387 1.107 3.332 1.00 0.00 O ATOM 361 CB PHE A 32 2.557 1.367 4.940 1.00 0.00 C ATOM 362 CG PHE A 32 2.038 0.936 3.598 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.416 -0.281 3.053 1.00 0.00 C ATOM 364 CD2 PHE A 32 1.174 1.748 2.881 1.00 0.00 C ATOM 365 CE1 PHE A 32 1.940 -0.680 1.818 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.695 1.353 1.646 1.00 0.00 C ATOM 367 CZ PHE A 32 1.079 0.138 1.114 1.00 0.00 C ATOM 0 H PHE A 32 4.215 3.065 3.007 1.00 0.00 H new ATOM 0 HA PHE A 32 4.071 2.598 5.840 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.711 0.485 5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.801 1.977 5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.090 -0.925 3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.871 2.700 3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.241 -1.631 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.021 1.994 1.098 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.706 -0.172 0.149 1.00 0.00 H new ATOM 377 N ILE A 33 5.576 0.564 5.508 1.00 0.00 N ATOM 378 CA ILE A 33 6.684 -0.358 5.293 1.00 0.00 C ATOM 379 C ILE A 33 6.196 -1.803 5.249 1.00 0.00 C ATOM 380 O ILE A 33 5.483 -2.256 6.145 1.00 0.00 O ATOM 381 CB ILE A 33 7.751 -0.222 6.395 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.528 1.085 6.224 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.696 -1.414 6.368 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.703 1.217 7.168 1.00 0.00 C ATOM 0 H ILE A 33 5.281 0.650 6.481 1.00 0.00 H new ATOM 0 HA ILE A 33 7.130 -0.098 4.333 1.00 0.00 H new ATOM 0 HB ILE A 33 7.251 -0.202 7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.888 1.153 5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.850 1.924 6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.444 -1.303 7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.130 -2.331 6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.192 -1.463 5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.207 2.167 6.991 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.348 1.181 8.198 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.401 0.398 6.996 1.00 0.00 H new ATOM 396 N VAL A 34 6.587 -2.522 4.202 1.00 0.00 N ATOM 397 CA VAL A 34 6.192 -3.916 4.042 1.00 0.00 C ATOM 398 C VAL A 34 7.341 -4.856 4.392 1.00 0.00 C ATOM 399 O VAL A 34 8.260 -5.051 3.599 1.00 0.00 O ATOM 400 CB VAL A 34 5.727 -4.206 2.603 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.200 -5.628 2.488 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.669 -3.201 2.173 1.00 0.00 C ATOM 0 H VAL A 34 7.177 -2.162 3.452 1.00 0.00 H new ATOM 0 HA VAL A 34 5.362 -4.090 4.726 1.00 0.00 H new ATOM 0 HB VAL A 34 6.583 -4.106 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.876 -5.814 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.990 -6.331 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.356 -5.759 3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.352 -3.421 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.811 -3.267 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.085 -2.194 2.215 1.00 0.00 H new ATOM 412 N ASN A 35 7.280 -5.436 5.586 1.00 0.00 N ATOM 413 CA ASN A 35 8.316 -6.357 6.042 1.00 0.00 C ATOM 414 C ASN A 35 8.234 -7.682 5.291 1.00 0.00 C ATOM 415 O ASN A 35 7.384 -8.524 5.584 1.00 0.00 O ATOM 416 CB ASN A 35 8.183 -6.601 7.547 1.00 0.00 C ATOM 417 CG ASN A 35 8.849 -7.892 7.984 1.00 0.00 C ATOM 418 OD1 ASN A 35 10.168 -7.952 7.848 1.00 0.00 O flip ATOM 419 ND2 ASN A 35 8.184 -8.823 8.437 1.00 0.00 N flip ATOM 0 H ASN A 35 6.525 -5.285 6.255 1.00 0.00 H new ATOM 0 HA ASN A 35 9.286 -5.904 5.838 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.626 -5.765 8.088 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.127 -6.631 7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.172 -8.732 8.523 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.645 -9.686 8.726 1.00 0.00 H new ATOM 426 N THR A 36 9.125 -7.863 4.322 1.00 0.00 N ATOM 427 CA THR A 36 9.155 -9.085 3.528 1.00 0.00 C ATOM 428 C THR A 36 10.453 -9.852 3.749 1.00 0.00 C ATOM 429 O THR A 36 10.676 -10.903 3.146 1.00 0.00 O ATOM 430 CB THR A 36 8.999 -8.783 2.026 1.00 0.00 C ATOM 431 OG1 THR A 36 9.815 -7.663 1.664 1.00 0.00 O ATOM 432 CG2 THR A 36 7.547 -8.491 1.680 1.00 0.00 C ATOM 0 H THR A 36 9.837 -7.178 4.068 1.00 0.00 H new ATOM 0 HA THR A 36 8.315 -9.696 3.857 1.00 0.00 H new ATOM 0 HB THR A 36 9.319 -9.662 1.467 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.464 -7.254 0.845 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.462 -8.281 0.614 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.933 -9.356 1.929 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.204 -7.627 2.249 1.00 0.00 H new ATOM 440 N LEU A 37 11.308 -9.322 4.617 1.00 0.00 N ATOM 441 CA LEU A 37 12.586 -9.959 4.918 1.00 0.00 C ATOM 442 C LEU A 37 12.376 -11.342 5.526 1.00 0.00 C ATOM 443 O LEU A 37 12.888 -12.338 5.018 1.00 0.00 O ATOM 444 CB LEU A 37 13.399 -9.086 5.876 1.00 0.00 C ATOM 445 CG LEU A 37 13.673 -7.655 5.412 1.00 0.00 C ATOM 446 CD1 LEU A 37 13.983 -6.759 6.600 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.818 -7.629 4.410 1.00 0.00 C ATOM 0 H LEU A 37 11.140 -8.453 5.125 1.00 0.00 H new ATOM 0 HA LEU A 37 13.136 -10.074 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.874 -9.043 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.355 -9.576 6.060 1.00 0.00 H new ATOM 0 HG LEU A 37 12.777 -7.276 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.175 -5.745 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.133 -6.753 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.863 -7.136 7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.999 -6.603 4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.719 -8.028 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.558 -8.238 3.544 1.00 0.00 H new ATOM 459 N ASN A 38 11.616 -11.394 6.615 1.00 0.00 N ATOM 460 CA ASN A 38 11.336 -12.656 7.291 1.00 0.00 C ATOM 461 C ASN A 38 11.013 -13.754 6.283 1.00 0.00 C ATOM 462 O ASN A 38 11.238 -14.935 6.543 1.00 0.00 O ATOM 463 CB ASN A 38 10.171 -12.486 8.269 1.00 0.00 C ATOM 464 CG ASN A 38 10.459 -11.450 9.338 1.00 0.00 C ATOM 465 OD1 ASN A 38 9.659 -10.544 9.570 1.00 0.00 O ATOM 466 ND2 ASN A 38 11.606 -11.580 9.993 1.00 0.00 N ATOM 0 H ASN A 38 11.183 -10.578 7.048 1.00 0.00 H new ATOM 0 HA ASN A 38 12.228 -12.949 7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.277 -12.196 7.717 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.956 -13.443 8.744 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.855 -10.912 10.723 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.239 -12.347 9.766 1.00 0.00 H new ATOM 473 N ALA A 39 10.484 -13.354 5.131 1.00 0.00 N ATOM 474 CA ALA A 39 10.133 -14.304 4.082 1.00 0.00 C ATOM 475 C ALA A 39 11.376 -14.801 3.352 1.00 0.00 C ATOM 476 O ALA A 39 11.649 -16.000 3.317 1.00 0.00 O ATOM 477 CB ALA A 39 9.161 -13.668 3.099 1.00 0.00 C ATOM 0 H ALA A 39 10.289 -12.380 4.901 1.00 0.00 H new ATOM 0 HA ALA A 39 9.651 -15.163 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.907 -14.388 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.255 -13.368 3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.624 -12.792 2.645 1.00 0.00 H new ATOM 483 N GLY A 40 12.127 -13.871 2.770 1.00 0.00 N ATOM 484 CA GLY A 40 13.332 -14.235 2.049 1.00 0.00 C ATOM 485 C GLY A 40 13.529 -13.408 0.794 1.00 0.00 C ATOM 486 O GLY A 40 14.346 -12.487 0.771 1.00 0.00 O ATOM 0 H GLY A 40 11.922 -12.872 2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.195 -14.109 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.287 -15.291 1.781 1.00 0.00 H new ATOM 490 N SER A 41 12.781 -13.738 -0.254 1.00 0.00 N ATOM 491 CA SER A 41 12.881 -13.021 -1.520 1.00 0.00 C ATOM 492 C SER A 41 11.753 -13.426 -2.464 1.00 0.00 C ATOM 493 O SER A 41 11.276 -14.559 -2.430 1.00 0.00 O ATOM 494 CB SER A 41 14.235 -13.295 -2.179 1.00 0.00 C ATOM 495 OG SER A 41 15.207 -12.354 -1.757 1.00 0.00 O ATOM 0 H SER A 41 12.099 -14.497 -0.252 1.00 0.00 H new ATOM 0 HA SER A 41 12.794 -11.954 -1.313 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.567 -14.303 -1.929 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.130 -13.253 -3.263 1.00 0.00 H new ATOM 0 HG SER A 41 15.157 -12.246 -0.784 1.00 0.00 H new ATOM 501 N GLY A 42 11.330 -12.489 -3.307 1.00 0.00 N ATOM 502 CA GLY A 42 10.261 -12.765 -4.248 1.00 0.00 C ATOM 503 C GLY A 42 9.654 -11.501 -4.824 1.00 0.00 C ATOM 504 O GLY A 42 10.297 -10.453 -4.852 1.00 0.00 O ATOM 0 H GLY A 42 11.709 -11.543 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.646 -13.382 -5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.483 -13.343 -3.750 1.00 0.00 H new ATOM 508 N ALA A 43 8.412 -11.601 -5.287 1.00 0.00 N ATOM 509 CA ALA A 43 7.718 -10.456 -5.865 1.00 0.00 C ATOM 510 C ALA A 43 6.658 -9.918 -4.910 1.00 0.00 C ATOM 511 O ALA A 43 6.189 -10.629 -4.021 1.00 0.00 O ATOM 512 CB ALA A 43 7.087 -10.839 -7.196 1.00 0.00 C ATOM 0 H ALA A 43 7.866 -12.462 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 43 8.450 -9.666 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.572 -9.975 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.864 -11.169 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.372 -11.647 -7.041 1.00 0.00 H new ATOM 518 N LEU A 44 6.284 -8.657 -5.100 1.00 0.00 N ATOM 519 CA LEU A 44 5.279 -8.022 -4.254 1.00 0.00 C ATOM 520 C LEU A 44 4.251 -7.275 -5.098 1.00 0.00 C ATOM 521 O LEU A 44 4.585 -6.695 -6.132 1.00 0.00 O ATOM 522 CB LEU A 44 5.946 -7.058 -3.271 1.00 0.00 C ATOM 523 CG LEU A 44 5.007 -6.136 -2.493 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.279 -6.910 -1.405 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.779 -4.969 -1.895 1.00 0.00 C ATOM 0 H LEU A 44 6.661 -8.055 -5.832 1.00 0.00 H new ATOM 0 HA LEU A 44 4.765 -8.803 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.524 -7.643 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.654 -6.440 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 44 4.265 -5.738 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.615 -6.237 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.693 -7.710 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.006 -7.338 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.094 -4.323 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.544 -5.348 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.253 -4.398 -2.694 1.00 0.00 H new ATOM 537 N SER A 45 3.000 -7.291 -4.649 1.00 0.00 N ATOM 538 CA SER A 45 1.923 -6.616 -5.364 1.00 0.00 C ATOM 539 C SER A 45 1.245 -5.580 -4.472 1.00 0.00 C ATOM 540 O SER A 45 0.862 -5.874 -3.340 1.00 0.00 O ATOM 541 CB SER A 45 0.893 -7.635 -5.855 1.00 0.00 C ATOM 542 OG SER A 45 0.097 -7.093 -6.895 1.00 0.00 O ATOM 0 H SER A 45 2.707 -7.764 -3.794 1.00 0.00 H new ATOM 0 HA SER A 45 2.355 -6.103 -6.223 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.403 -8.530 -6.212 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.255 -7.941 -5.026 1.00 0.00 H new ATOM 0 HG SER A 45 -0.552 -7.764 -7.193 1.00 0.00 H new ATOM 548 N VAL A 46 1.101 -4.365 -4.992 1.00 0.00 N ATOM 549 CA VAL A 46 0.469 -3.284 -4.245 1.00 0.00 C ATOM 550 C VAL A 46 -0.566 -2.559 -5.097 1.00 0.00 C ATOM 551 O VAL A 46 -0.273 -2.115 -6.208 1.00 0.00 O ATOM 552 CB VAL A 46 1.510 -2.265 -3.744 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.865 -1.265 -2.797 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.672 -2.978 -3.069 1.00 0.00 C ATOM 0 H VAL A 46 1.413 -4.105 -5.927 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.026 -3.739 -3.387 1.00 0.00 H new ATOM 0 HB VAL A 46 1.899 -1.718 -4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.615 -0.553 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.070 -0.731 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.447 -1.793 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.398 -2.243 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.302 -3.553 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.150 -3.650 -3.782 1.00 0.00 H new ATOM 564 N THR A 47 -1.782 -2.443 -4.570 1.00 0.00 N ATOM 565 CA THR A 47 -2.862 -1.773 -5.283 1.00 0.00 C ATOM 566 C THR A 47 -3.838 -1.119 -4.311 1.00 0.00 C ATOM 567 O THR A 47 -4.150 -1.679 -3.260 1.00 0.00 O ATOM 568 CB THR A 47 -3.633 -2.754 -6.185 1.00 0.00 C ATOM 569 OG1 THR A 47 -3.885 -3.974 -5.480 1.00 0.00 O ATOM 570 CG2 THR A 47 -2.851 -3.049 -7.456 1.00 0.00 C ATOM 0 H THR A 47 -2.043 -2.804 -3.652 1.00 0.00 H new ATOM 0 HA THR A 47 -2.402 -1.005 -5.905 1.00 0.00 H new ATOM 0 HB THR A 47 -4.581 -2.292 -6.460 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.377 -4.592 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.415 -3.744 -8.077 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.687 -2.122 -8.006 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.890 -3.492 -7.197 1.00 0.00 H new ATOM 578 N ILE A 48 -4.318 0.067 -4.670 1.00 0.00 N ATOM 579 CA ILE A 48 -5.261 0.795 -3.830 1.00 0.00 C ATOM 580 C ILE A 48 -6.563 1.069 -4.575 1.00 0.00 C ATOM 581 O ILE A 48 -6.554 1.384 -5.766 1.00 0.00 O ATOM 582 CB ILE A 48 -4.668 2.132 -3.347 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.354 1.891 -2.600 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.663 2.862 -2.457 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.551 3.152 -2.369 1.00 0.00 C ATOM 0 H ILE A 48 -4.069 0.544 -5.537 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.466 0.164 -2.965 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.461 2.757 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.572 1.427 -1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.748 1.183 -3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.229 3.805 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.576 3.061 -3.019 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.898 2.244 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.633 2.906 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.302 3.606 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.138 3.854 -1.777 1.00 0.00 H new ATOM 597 N ASP A 49 -7.680 0.950 -3.866 1.00 0.00 N ATOM 598 CA ASP A 49 -8.991 1.188 -4.459 1.00 0.00 C ATOM 599 C ASP A 49 -9.845 2.070 -3.554 1.00 0.00 C ATOM 600 O ASP A 49 -10.250 1.655 -2.469 1.00 0.00 O ATOM 601 CB ASP A 49 -9.705 -0.139 -4.720 1.00 0.00 C ATOM 602 CG ASP A 49 -10.692 -0.050 -5.868 1.00 0.00 C ATOM 603 OD1 ASP A 49 -10.312 0.468 -6.939 1.00 0.00 O ATOM 604 OD2 ASP A 49 -11.844 -0.500 -5.695 1.00 0.00 O ATOM 0 H ASP A 49 -7.704 0.690 -2.880 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.845 1.705 -5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.965 -0.909 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.230 -0.450 -3.817 1.00 0.00 H new ATOM 609 N GLY A 50 -10.114 3.290 -4.007 1.00 0.00 N ATOM 610 CA GLY A 50 -10.917 4.212 -3.225 1.00 0.00 C ATOM 611 C GLY A 50 -11.915 4.975 -4.074 1.00 0.00 C ATOM 612 O GLY A 50 -12.109 4.684 -5.254 1.00 0.00 O ATOM 0 H GLY A 50 -9.790 3.657 -4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.450 3.659 -2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.261 4.919 -2.717 1.00 0.00 H new ATOM 616 N PRO A 51 -12.570 5.976 -3.467 1.00 0.00 N ATOM 617 CA PRO A 51 -13.565 6.803 -4.156 1.00 0.00 C ATOM 618 C PRO A 51 -12.935 7.718 -5.201 1.00 0.00 C ATOM 619 O PRO A 51 -13.638 8.361 -5.981 1.00 0.00 O ATOM 620 CB PRO A 51 -14.183 7.630 -3.025 1.00 0.00 C ATOM 621 CG PRO A 51 -13.127 7.685 -1.976 1.00 0.00 C ATOM 622 CD PRO A 51 -12.388 6.378 -2.062 1.00 0.00 C ATOM 0 HA PRO A 51 -14.287 6.199 -4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.454 8.629 -3.367 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.093 7.165 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.454 8.526 -2.144 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.566 7.821 -0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.334 6.495 -1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.799 5.638 -1.376 1.00 0.00 H new ATOM 630 N SER A 52 -11.607 7.769 -5.213 1.00 0.00 N ATOM 631 CA SER A 52 -10.883 8.608 -6.161 1.00 0.00 C ATOM 632 C SER A 52 -9.462 8.093 -6.367 1.00 0.00 C ATOM 633 O SER A 52 -8.684 7.986 -5.418 1.00 0.00 O ATOM 634 CB SER A 52 -10.846 10.056 -5.669 1.00 0.00 C ATOM 635 OG SER A 52 -12.135 10.644 -5.719 1.00 0.00 O ATOM 0 H SER A 52 -11.011 7.239 -4.577 1.00 0.00 H new ATOM 0 HA SER A 52 -11.407 8.570 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.468 10.087 -4.647 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.155 10.634 -6.282 1.00 0.00 H new ATOM 0 HG SER A 52 -12.799 9.959 -5.943 1.00 0.00 H new ATOM 641 N LYS A 53 -9.129 7.774 -7.613 1.00 0.00 N ATOM 642 CA LYS A 53 -7.802 7.271 -7.947 1.00 0.00 C ATOM 643 C LYS A 53 -6.737 7.919 -7.067 1.00 0.00 C ATOM 644 O LYS A 53 -6.796 9.116 -6.785 1.00 0.00 O ATOM 645 CB LYS A 53 -7.490 7.535 -9.421 1.00 0.00 C ATOM 646 CG LYS A 53 -7.895 6.396 -10.342 1.00 0.00 C ATOM 647 CD LYS A 53 -6.753 5.417 -10.553 1.00 0.00 C ATOM 648 CE LYS A 53 -6.766 4.311 -9.508 1.00 0.00 C ATOM 649 NZ LYS A 53 -8.031 3.526 -9.548 1.00 0.00 N ATOM 0 H LYS A 53 -9.761 7.855 -8.409 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.793 6.196 -7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.002 8.445 -9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.421 7.717 -9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.752 5.871 -9.919 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.212 6.800 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.827 4.979 -11.548 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.803 5.950 -10.509 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.920 3.645 -9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.640 4.746 -8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.854 2.564 -9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.745 3.988 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.379 3.477 -10.527 1.00 0.00 H new ATOM 663 N VAL A 54 -5.765 7.122 -6.638 1.00 0.00 N ATOM 664 CA VAL A 54 -4.685 7.618 -5.793 1.00 0.00 C ATOM 665 C VAL A 54 -3.323 7.312 -6.404 1.00 0.00 C ATOM 666 O VAL A 54 -2.948 6.150 -6.557 1.00 0.00 O ATOM 667 CB VAL A 54 -4.751 7.007 -4.381 1.00 0.00 C ATOM 668 CG1 VAL A 54 -6.046 7.403 -3.687 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.615 5.493 -4.449 1.00 0.00 C ATOM 0 H VAL A 54 -5.703 6.129 -6.862 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.812 8.698 -5.720 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.919 7.398 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.074 6.962 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.097 8.489 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.895 7.043 -4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.664 5.078 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.425 5.082 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.658 5.234 -4.902 1.00 0.00 H new ATOM 679 N GLN A 55 -2.587 8.363 -6.752 1.00 0.00 N ATOM 680 CA GLN A 55 -1.265 8.205 -7.348 1.00 0.00 C ATOM 681 C GLN A 55 -0.272 7.654 -6.330 1.00 0.00 C ATOM 682 O GLN A 55 0.192 8.376 -5.446 1.00 0.00 O ATOM 683 CB GLN A 55 -0.766 9.544 -7.893 1.00 0.00 C ATOM 684 CG GLN A 55 0.185 9.405 -9.071 1.00 0.00 C ATOM 685 CD GLN A 55 1.499 8.755 -8.686 1.00 0.00 C ATOM 686 OE1 GLN A 55 2.402 9.540 -8.111 1.00 0.00 O flip ATOM 687 NE2 GLN A 55 1.702 7.560 -8.905 1.00 0.00 N flip ATOM 0 H GLN A 55 -2.883 9.332 -6.632 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.346 7.494 -8.170 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.623 10.145 -8.197 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.263 10.088 -7.093 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.294 8.814 -9.852 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.381 10.391 -9.493 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.980 6.993 -9.349 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.592 7.137 -8.642 1.00 0.00 H new ATOM 696 N LEU A 56 0.051 6.372 -6.460 1.00 0.00 N ATOM 697 CA LEU A 56 0.990 5.724 -5.552 1.00 0.00 C ATOM 698 C LEU A 56 2.391 5.686 -6.153 1.00 0.00 C ATOM 699 O LEU A 56 2.562 5.819 -7.365 1.00 0.00 O ATOM 700 CB LEU A 56 0.521 4.303 -5.231 1.00 0.00 C ATOM 701 CG LEU A 56 0.375 3.359 -6.425 1.00 0.00 C ATOM 702 CD1 LEU A 56 1.680 2.624 -6.687 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.758 2.372 -6.188 1.00 0.00 C ATOM 0 H LEU A 56 -0.324 5.761 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 56 1.026 6.305 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.225 3.860 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.441 4.365 -4.723 1.00 0.00 H new ATOM 0 HG LEU A 56 0.134 3.953 -7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.557 1.957 -7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.468 3.346 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.952 2.041 -5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.848 1.708 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.547 1.783 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.692 2.917 -6.051 1.00 0.00 H new ATOM 715 N ASP A 57 3.391 5.500 -5.298 1.00 0.00 N ATOM 716 CA ASP A 57 4.778 5.441 -5.745 1.00 0.00 C ATOM 717 C ASP A 57 5.530 4.319 -5.035 1.00 0.00 C ATOM 718 O ASP A 57 5.676 4.333 -3.812 1.00 0.00 O ATOM 719 CB ASP A 57 5.475 6.778 -5.492 1.00 0.00 C ATOM 720 CG ASP A 57 6.633 7.016 -6.441 1.00 0.00 C ATOM 721 OD1 ASP A 57 6.482 6.722 -7.645 1.00 0.00 O ATOM 722 OD2 ASP A 57 7.690 7.496 -5.980 1.00 0.00 O ATOM 0 H ASP A 57 3.267 5.388 -4.292 1.00 0.00 H new ATOM 0 HA ASP A 57 4.781 5.236 -6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.752 7.587 -5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.839 6.806 -4.465 1.00 0.00 H new ATOM 727 N CYS A 58 6.004 3.349 -5.810 1.00 0.00 N ATOM 728 CA CYS A 58 6.739 2.218 -5.255 1.00 0.00 C ATOM 729 C CYS A 58 8.230 2.527 -5.173 1.00 0.00 C ATOM 730 O CYS A 58 8.834 2.984 -6.144 1.00 0.00 O ATOM 731 CB CYS A 58 6.511 0.968 -6.106 1.00 0.00 C ATOM 732 SG CYS A 58 7.118 -0.559 -5.352 1.00 0.00 S ATOM 0 H CYS A 58 5.892 3.323 -6.824 1.00 0.00 H new ATOM 0 HA CYS A 58 6.368 2.035 -4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.444 0.865 -6.302 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.000 1.104 -7.070 1.00 0.00 H new ATOM 0 HG CYS A 58 6.878 -1.560 -6.146 1.00 0.00 H new ATOM 738 N ARG A 59 8.818 2.275 -4.008 1.00 0.00 N ATOM 739 CA ARG A 59 10.239 2.529 -3.798 1.00 0.00 C ATOM 740 C ARG A 59 10.906 1.344 -3.107 1.00 0.00 C ATOM 741 O ARG A 59 10.272 0.318 -2.863 1.00 0.00 O ATOM 742 CB ARG A 59 10.434 3.796 -2.964 1.00 0.00 C ATOM 743 CG ARG A 59 10.171 5.079 -3.735 1.00 0.00 C ATOM 744 CD ARG A 59 10.861 6.270 -3.087 1.00 0.00 C ATOM 745 NE ARG A 59 10.020 6.906 -2.076 1.00 0.00 N ATOM 746 CZ ARG A 59 9.939 6.486 -0.818 1.00 0.00 C ATOM 747 NH1 ARG A 59 10.644 5.437 -0.418 1.00 0.00 N ATOM 748 NH2 ARG A 59 9.151 7.118 0.043 1.00 0.00 N ATOM 0 H ARG A 59 8.333 1.895 -3.195 1.00 0.00 H new ATOM 0 HA ARG A 59 10.706 2.669 -4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.770 3.758 -2.101 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.454 3.815 -2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.523 4.967 -4.761 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.098 5.262 -3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.794 5.943 -2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.121 7.000 -3.854 1.00 0.00 H new ATOM 0 HE ARG A 59 9.465 7.716 -2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.251 4.949 -1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.579 5.118 0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.608 7.926 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.089 6.796 1.009 1.00 0.00 H new ATOM 762 N GLU A 60 12.190 1.493 -2.795 1.00 0.00 N ATOM 763 CA GLU A 60 12.943 0.434 -2.134 1.00 0.00 C ATOM 764 C GLU A 60 13.338 0.850 -0.720 1.00 0.00 C ATOM 765 O GLU A 60 13.842 1.953 -0.503 1.00 0.00 O ATOM 766 CB GLU A 60 14.194 0.086 -2.943 1.00 0.00 C ATOM 767 CG GLU A 60 13.898 -0.680 -4.222 1.00 0.00 C ATOM 768 CD GLU A 60 15.127 -0.864 -5.090 1.00 0.00 C ATOM 769 OE1 GLU A 60 16.224 -1.071 -4.528 1.00 0.00 O ATOM 770 OE2 GLU A 60 14.994 -0.801 -6.330 1.00 0.00 O ATOM 0 H GLU A 60 12.730 2.336 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 60 12.304 -0.447 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.722 1.006 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.865 -0.507 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.487 -1.657 -3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.133 -0.150 -4.790 1.00 0.00 H new ATOM 777 N CYS A 61 13.107 -0.040 0.238 1.00 0.00 N ATOM 778 CA CYS A 61 13.437 0.234 1.633 1.00 0.00 C ATOM 779 C CYS A 61 14.322 -0.867 2.208 1.00 0.00 C ATOM 780 O CYS A 61 14.275 -2.021 1.783 1.00 0.00 O ATOM 781 CB CYS A 61 12.160 0.365 2.464 1.00 0.00 C ATOM 782 SG CYS A 61 11.178 -1.151 2.554 1.00 0.00 S ATOM 0 H CYS A 61 12.693 -0.958 0.075 1.00 0.00 H new ATOM 0 HA CYS A 61 13.986 1.175 1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.427 0.672 3.475 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.544 1.159 2.042 1.00 0.00 H new ATOM 0 HG CYS A 61 10.120 -0.940 3.279 1.00 0.00 H new ATOM 788 N PRO A 62 15.152 -0.503 3.197 1.00 0.00 N ATOM 789 CA PRO A 62 16.065 -1.445 3.851 1.00 0.00 C ATOM 790 C PRO A 62 15.328 -2.464 4.712 1.00 0.00 C ATOM 791 O PRO A 62 15.947 -3.314 5.350 1.00 0.00 O ATOM 792 CB PRO A 62 16.941 -0.542 4.723 1.00 0.00 C ATOM 793 CG PRO A 62 16.102 0.661 4.985 1.00 0.00 C ATOM 794 CD PRO A 62 15.261 0.856 3.754 1.00 0.00 C ATOM 0 HA PRO A 62 16.626 -2.037 3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.221 -1.039 5.652 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.866 -0.276 4.212 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.477 0.516 5.866 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.723 1.536 5.176 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.283 1.270 3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.732 1.542 3.050 1.00 0.00 H new ATOM 802 N GLU A 63 14.001 -2.372 4.725 1.00 0.00 N ATOM 803 CA GLU A 63 13.181 -3.288 5.509 1.00 0.00 C ATOM 804 C GLU A 63 12.328 -4.169 4.600 1.00 0.00 C ATOM 805 O GLU A 63 11.668 -5.099 5.060 1.00 0.00 O ATOM 806 CB GLU A 63 12.282 -2.507 6.470 1.00 0.00 C ATOM 807 CG GLU A 63 13.049 -1.744 7.537 1.00 0.00 C ATOM 808 CD GLU A 63 13.372 -2.600 8.746 1.00 0.00 C ATOM 809 OE1 GLU A 63 12.772 -3.687 8.881 1.00 0.00 O ATOM 810 OE2 GLU A 63 14.225 -2.183 9.558 1.00 0.00 O ATOM 0 H GLU A 63 13.472 -1.674 4.202 1.00 0.00 H new ATOM 0 HA GLU A 63 13.848 -3.929 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.676 -1.804 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.594 -3.200 6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.976 -1.361 7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.463 -0.881 7.853 1.00 0.00 H new ATOM 817 N GLY A 64 12.348 -3.867 3.305 1.00 0.00 N ATOM 818 CA GLY A 64 11.573 -4.639 2.352 1.00 0.00 C ATOM 819 C GLY A 64 11.061 -3.795 1.201 1.00 0.00 C ATOM 820 O GLY A 64 11.804 -3.489 0.268 1.00 0.00 O ATOM 0 H GLY A 64 12.887 -3.102 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.188 -5.449 1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.728 -5.100 2.864 1.00 0.00 H new ATOM 824 N HIS A 65 9.788 -3.418 1.266 1.00 0.00 N ATOM 825 CA HIS A 65 9.177 -2.605 0.221 1.00 0.00 C ATOM 826 C HIS A 65 8.380 -1.453 0.825 1.00 0.00 C ATOM 827 O HIS A 65 7.778 -1.592 1.890 1.00 0.00 O ATOM 828 CB HIS A 65 8.268 -3.465 -0.658 1.00 0.00 C ATOM 829 CG HIS A 65 8.976 -4.613 -1.309 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.660 -5.650 -0.771 1.00 0.00 N flip ATOM 831 CD2 HIS A 65 9.033 -4.785 -2.676 1.00 0.00 C flip ATOM 832 CE1 HIS A 65 10.112 -6.423 -1.813 1.00 0.00 C flip ATOM 833 NE2 HIS A 65 9.721 -5.879 -2.951 1.00 0.00 N flip ATOM 0 H HIS A 65 9.160 -3.663 2.031 1.00 0.00 H new ATOM 0 HA HIS A 65 9.975 -2.188 -0.394 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.449 -3.851 -0.051 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.824 -2.837 -1.431 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.585 -4.128 -3.407 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.693 -7.328 -1.717 1.00 0.00 H new ATOM 0 HE2 HIS A 65 9.917 -6.242 -3.884 1.00 0.00 H new ATOM 842 N VAL A 66 8.379 -0.315 0.137 1.00 0.00 N ATOM 843 CA VAL A 66 7.655 0.861 0.606 1.00 0.00 C ATOM 844 C VAL A 66 6.883 1.520 -0.531 1.00 0.00 C ATOM 845 O VAL A 66 7.368 1.601 -1.660 1.00 0.00 O ATOM 846 CB VAL A 66 8.610 1.895 1.231 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.412 2.604 0.150 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.833 2.896 2.073 1.00 0.00 C ATOM 0 H VAL A 66 8.871 -0.183 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 66 6.954 0.519 1.367 1.00 0.00 H new ATOM 0 HB VAL A 66 9.309 1.371 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.081 3.331 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.998 1.873 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.732 3.117 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.523 3.619 2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.110 3.416 1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.309 2.371 2.871 1.00 0.00 H new ATOM 858 N VAL A 67 5.678 1.990 -0.227 1.00 0.00 N ATOM 859 CA VAL A 67 4.838 2.645 -1.223 1.00 0.00 C ATOM 860 C VAL A 67 4.172 3.890 -0.648 1.00 0.00 C ATOM 861 O VAL A 67 3.574 3.848 0.427 1.00 0.00 O ATOM 862 CB VAL A 67 3.750 1.692 -1.752 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.822 2.422 -2.711 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.382 0.483 -2.426 1.00 0.00 C ATOM 0 H VAL A 67 5.261 1.929 0.702 1.00 0.00 H new ATOM 0 HA VAL A 67 5.490 2.934 -2.047 1.00 0.00 H new ATOM 0 HB VAL A 67 3.158 1.340 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.060 1.733 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.343 3.252 -2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.398 2.804 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.598 -0.180 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.999 0.813 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.002 -0.052 -1.706 1.00 0.00 H new ATOM 874 N THR A 68 4.280 5.000 -1.372 1.00 0.00 N ATOM 875 CA THR A 68 3.689 6.258 -0.935 1.00 0.00 C ATOM 876 C THR A 68 2.573 6.698 -1.875 1.00 0.00 C ATOM 877 O THR A 68 2.763 6.768 -3.090 1.00 0.00 O ATOM 878 CB THR A 68 4.746 7.376 -0.852 1.00 0.00 C ATOM 879 OG1 THR A 68 5.907 6.902 -0.161 1.00 0.00 O ATOM 880 CG2 THR A 68 4.187 8.597 -0.137 1.00 0.00 C ATOM 0 H THR A 68 4.772 5.053 -2.264 1.00 0.00 H new ATOM 0 HA THR A 68 3.275 6.084 0.058 1.00 0.00 H new ATOM 0 HB THR A 68 5.020 7.663 -1.867 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.575 7.618 -0.114 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.951 9.373 -0.090 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.321 8.973 -0.682 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.888 8.321 0.874 1.00 0.00 H new ATOM 888 N TYR A 69 1.410 6.994 -1.307 1.00 0.00 N ATOM 889 CA TYR A 69 0.262 7.426 -2.096 1.00 0.00 C ATOM 890 C TYR A 69 -0.328 8.717 -1.537 1.00 0.00 C ATOM 891 O TYR A 69 -0.017 9.123 -0.417 1.00 0.00 O ATOM 892 CB TYR A 69 -0.807 6.332 -2.121 1.00 0.00 C ATOM 893 CG TYR A 69 -1.653 6.283 -0.868 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.695 7.182 -0.675 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.410 5.340 0.122 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.470 7.142 0.467 1.00 0.00 C ATOM 897 CE2 TYR A 69 -2.181 5.291 1.267 1.00 0.00 C ATOM 898 CZ TYR A 69 -3.209 6.194 1.435 1.00 0.00 C ATOM 899 OH TYR A 69 -3.979 6.150 2.575 1.00 0.00 O ATOM 0 H TYR A 69 1.237 6.943 -0.303 1.00 0.00 H new ATOM 0 HA TYR A 69 0.603 7.615 -3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.457 6.490 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.323 5.366 -2.260 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.902 7.925 -1.431 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.604 4.633 -0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.276 7.848 0.602 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.980 4.550 2.026 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.665 5.424 3.154 1.00 0.00 H new ATOM 909 N THR A 70 -1.184 9.358 -2.326 1.00 0.00 N ATOM 910 CA THR A 70 -1.819 10.603 -1.913 1.00 0.00 C ATOM 911 C THR A 70 -3.324 10.560 -2.155 1.00 0.00 C ATOM 912 O THR A 70 -3.791 10.381 -3.280 1.00 0.00 O ATOM 913 CB THR A 70 -1.225 11.812 -2.660 1.00 0.00 C ATOM 914 OG1 THR A 70 0.183 11.897 -2.413 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.900 13.104 -2.223 1.00 0.00 C ATOM 0 H THR A 70 -1.454 9.035 -3.255 1.00 0.00 H new ATOM 0 HA THR A 70 -1.628 10.715 -0.846 1.00 0.00 H new ATOM 0 HB THR A 70 -1.399 11.673 -3.727 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.553 12.667 -2.893 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.464 13.944 -2.764 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.967 13.048 -2.439 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.754 13.247 -1.152 1.00 0.00 H new ATOM 923 N PRO A 71 -4.103 10.730 -1.076 1.00 0.00 N ATOM 924 CA PRO A 71 -5.567 10.715 -1.147 1.00 0.00 C ATOM 925 C PRO A 71 -6.125 11.940 -1.863 1.00 0.00 C ATOM 926 O PRO A 71 -5.501 13.001 -1.876 1.00 0.00 O ATOM 927 CB PRO A 71 -5.993 10.715 0.323 1.00 0.00 C ATOM 928 CG PRO A 71 -4.854 11.346 1.048 1.00 0.00 C ATOM 929 CD PRO A 71 -3.614 10.949 0.295 1.00 0.00 C ATOM 0 HA PRO A 71 -5.939 9.861 -1.713 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.915 11.278 0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.178 9.702 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.963 12.430 1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.810 11.002 2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.855 11.730 0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.163 10.047 0.710 1.00 0.00 H new ATOM 937 N MET A 72 -7.303 11.787 -2.458 1.00 0.00 N ATOM 938 CA MET A 72 -7.945 12.882 -3.175 1.00 0.00 C ATOM 939 C MET A 72 -9.352 13.131 -2.641 1.00 0.00 C ATOM 940 O MET A 72 -9.969 14.153 -2.941 1.00 0.00 O ATOM 941 CB MET A 72 -8.003 12.576 -4.673 1.00 0.00 C ATOM 942 CG MET A 72 -6.783 13.060 -5.440 1.00 0.00 C ATOM 943 SD MET A 72 -7.132 13.356 -7.184 1.00 0.00 S ATOM 944 CE MET A 72 -7.361 11.680 -7.772 1.00 0.00 C ATOM 0 H MET A 72 -7.833 10.915 -2.458 1.00 0.00 H new ATOM 0 HA MET A 72 -7.351 13.782 -3.018 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.106 11.500 -4.812 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.895 13.039 -5.096 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.414 13.980 -4.986 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.987 12.320 -5.353 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.790 11.701 -8.774 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.398 11.169 -7.800 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.035 11.148 -7.101 1.00 0.00 H new ATOM 954 N ALA A 73 -9.854 12.190 -1.848 1.00 0.00 N ATOM 955 CA ALA A 73 -11.188 12.308 -1.271 1.00 0.00 C ATOM 956 C ALA A 73 -11.307 11.489 0.009 1.00 0.00 C ATOM 957 O ALA A 73 -10.756 10.394 0.128 1.00 0.00 O ATOM 958 CB ALA A 73 -12.240 11.871 -2.279 1.00 0.00 C ATOM 0 H ALA A 73 -9.357 11.337 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.356 13.355 -1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.231 11.964 -1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.179 12.502 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.065 10.833 -2.560 1.00 0.00 H new ATOM 964 N PRO A 74 -12.042 12.029 0.993 1.00 0.00 N ATOM 965 CA PRO A 74 -12.250 11.364 2.282 1.00 0.00 C ATOM 966 C PRO A 74 -13.139 10.131 2.162 1.00 0.00 C ATOM 967 O PRO A 74 -14.324 10.236 1.851 1.00 0.00 O ATOM 968 CB PRO A 74 -12.938 12.438 3.128 1.00 0.00 C ATOM 969 CG PRO A 74 -13.609 13.328 2.139 1.00 0.00 C ATOM 970 CD PRO A 74 -12.728 13.330 0.921 1.00 0.00 C ATOM 0 HA PRO A 74 -11.315 11.000 2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.659 11.998 3.817 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.216 12.989 3.731 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.607 12.962 1.898 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.727 14.336 2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.310 13.427 0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.020 14.159 0.938 1.00 0.00 H new ATOM 978 N GLY A 75 -12.557 8.961 2.410 1.00 0.00 N ATOM 979 CA GLY A 75 -13.312 7.724 2.325 1.00 0.00 C ATOM 980 C GLY A 75 -12.506 6.521 2.775 1.00 0.00 C ATOM 981 O GLY A 75 -11.678 6.624 3.679 1.00 0.00 O ATOM 0 H GLY A 75 -11.577 8.848 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.209 7.807 2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.642 7.573 1.297 1.00 0.00 H new ATOM 985 N ASN A 76 -12.751 5.378 2.143 1.00 0.00 N ATOM 986 CA ASN A 76 -12.043 4.149 2.486 1.00 0.00 C ATOM 987 C ASN A 76 -11.270 3.614 1.284 1.00 0.00 C ATOM 988 O ASN A 76 -11.835 3.411 0.210 1.00 0.00 O ATOM 989 CB ASN A 76 -13.029 3.091 2.985 1.00 0.00 C ATOM 990 CG ASN A 76 -12.569 1.680 2.672 1.00 0.00 C ATOM 991 OD1 ASN A 76 -12.194 0.924 3.568 1.00 0.00 O ATOM 992 ND2 ASN A 76 -12.597 1.319 1.394 1.00 0.00 N ATOM 0 H ASN A 76 -13.433 5.277 1.392 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.332 4.377 3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.158 3.198 4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.004 3.262 2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.300 0.382 1.122 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.916 1.979 0.684 1.00 0.00 H new ATOM 999 N TYR A 77 -9.975 3.387 1.475 1.00 0.00 N ATOM 1000 CA TYR A 77 -9.123 2.877 0.407 1.00 0.00 C ATOM 1001 C TYR A 77 -8.633 1.469 0.727 1.00 0.00 C ATOM 1002 O TYR A 77 -7.950 1.248 1.728 1.00 0.00 O ATOM 1003 CB TYR A 77 -7.929 3.808 0.191 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.318 5.197 -0.263 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.757 6.149 0.648 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.246 5.557 -1.603 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -9.114 7.419 0.239 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.600 6.825 -2.022 1.00 0.00 C ATOM 1009 CZ TYR A 77 -9.033 7.752 -1.097 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.388 9.016 -1.511 1.00 0.00 O ATOM 0 H TYR A 77 -9.492 3.548 2.359 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.714 2.837 -0.508 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.365 3.883 1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.264 3.366 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.820 5.892 1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.907 4.833 -2.330 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.454 8.147 0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.538 7.089 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.581 9.574 -0.729 1.00 0.00 H new ATOM 1020 N LEU A 78 -8.987 0.518 -0.131 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.583 -0.872 0.058 1.00 0.00 C ATOM 1022 C LEU A 78 -7.141 -1.085 -0.391 1.00 0.00 C ATOM 1023 O LEU A 78 -6.832 -1.003 -1.580 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.515 -1.804 -0.719 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.558 -3.257 -0.245 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.150 -3.815 -0.107 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.309 -3.366 1.074 1.00 0.00 C ATOM 0 H LEU A 78 -9.552 0.683 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.651 -1.104 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.525 -1.397 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.216 -1.793 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.089 -3.847 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.200 -4.850 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.646 -3.773 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.593 -3.223 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.330 -4.407 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.807 -2.762 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.330 -3.007 0.942 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.264 -1.363 0.568 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.856 -1.592 0.271 1.00 0.00 C ATOM 1041 C ILE A 79 -4.545 -3.083 0.198 1.00 0.00 C ATOM 1042 O ILE A 79 -4.419 -3.752 1.223 1.00 0.00 O ATOM 1043 CB ILE A 79 -3.944 -0.940 1.327 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -4.152 0.576 1.346 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.487 -1.277 1.050 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.522 1.257 2.541 1.00 0.00 C ATOM 0 H ILE A 79 -6.504 -1.435 1.557 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.660 -1.134 -0.699 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.208 -1.336 2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.736 1.003 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.221 0.788 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.855 -0.809 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.351 -2.358 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.209 -0.906 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.709 2.330 2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.955 0.857 3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.447 1.076 2.538 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.420 -3.597 -1.021 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.120 -5.008 -1.228 1.00 0.00 C ATOM 1060 C ALA A 80 -2.615 -5.242 -1.315 1.00 0.00 C ATOM 1061 O ALA A 80 -1.908 -4.533 -2.030 1.00 0.00 O ATOM 1062 CB ALA A 80 -4.808 -5.515 -2.487 1.00 0.00 C ATOM 0 H ALA A 80 -4.522 -3.057 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.499 -5.564 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.575 -6.570 -2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.886 -5.392 -2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.456 -4.947 -3.348 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.133 -6.241 -0.582 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.713 -6.568 -0.577 1.00 0.00 C ATOM 1070 C ILE A 81 -0.494 -8.068 -0.738 1.00 0.00 C ATOM 1071 O ILE A 81 -0.899 -8.861 0.112 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.031 -6.097 0.721 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.124 -4.575 0.848 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.421 -6.549 0.751 1.00 0.00 C ATOM 1075 CD1 ILE A 81 0.291 -4.056 2.207 1.00 0.00 C ATOM 0 H ILE A 81 -2.705 -6.837 0.016 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.266 -6.045 -1.423 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.548 -6.546 1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.505 -4.116 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.149 -4.264 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.889 -6.208 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.464 -7.637 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.951 -6.126 -0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.200 -2.970 2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.353 -4.487 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.326 -4.337 2.403 1.00 0.00 H new ATOM 1087 N LYS A 82 0.153 -8.452 -1.834 1.00 0.00 N ATOM 1088 CA LYS A 82 0.430 -9.857 -2.106 1.00 0.00 C ATOM 1089 C LYS A 82 1.931 -10.127 -2.099 1.00 0.00 C ATOM 1090 O LYS A 82 2.738 -9.205 -2.226 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.166 -10.264 -3.456 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.640 -9.924 -3.597 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.332 -10.848 -4.585 1.00 0.00 C ATOM 1094 CE LYS A 82 -3.584 -10.207 -5.164 1.00 0.00 C ATOM 1095 NZ LYS A 82 -4.258 -11.097 -6.150 1.00 0.00 N ATOM 0 H LYS A 82 0.495 -7.809 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.032 -10.452 -1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.390 -9.770 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.034 -11.337 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.127 -9.999 -2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.746 -8.891 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.644 -11.100 -5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.596 -11.782 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.277 -9.969 -4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.320 -9.265 -5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.274 -10.877 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.845 -10.947 -7.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.127 -12.089 -5.868 1.00 0.00 H new ATOM 1109 N TYR A 83 2.299 -11.394 -1.952 1.00 0.00 N ATOM 1110 CA TYR A 83 3.704 -11.785 -1.928 1.00 0.00 C ATOM 1111 C TYR A 83 3.854 -13.292 -2.111 1.00 0.00 C ATOM 1112 O TYR A 83 3.066 -14.075 -1.582 1.00 0.00 O ATOM 1113 CB TYR A 83 4.353 -11.353 -0.612 1.00 0.00 C ATOM 1114 CG TYR A 83 5.864 -11.398 -0.638 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.600 -10.369 -1.212 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.556 -12.470 -0.088 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.980 -10.406 -1.238 1.00 0.00 C ATOM 1118 CE2 TYR A 83 7.936 -12.516 -0.109 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.644 -11.482 -0.686 1.00 0.00 C ATOM 1120 OH TYR A 83 10.019 -11.522 -0.709 1.00 0.00 O ATOM 0 H TYR A 83 1.644 -12.169 -1.848 1.00 0.00 H new ATOM 0 HA TYR A 83 4.208 -11.285 -2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.032 -10.339 -0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 83 3.993 -11.997 0.190 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.084 -9.525 -1.646 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.005 -13.282 0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.537 -9.597 -1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.458 -13.357 0.324 1.00 0.00 H new ATOM 0 HH TYR A 83 10.330 -12.346 -0.279 1.00 0.00 H new ATOM 1130 N GLY A 84 4.874 -13.691 -2.865 1.00 0.00 N ATOM 1131 CA GLY A 84 5.110 -15.103 -3.106 1.00 0.00 C ATOM 1132 C GLY A 84 3.823 -15.896 -3.216 1.00 0.00 C ATOM 1133 O GLY A 84 3.692 -16.965 -2.621 1.00 0.00 O ATOM 0 H GLY A 84 5.541 -13.062 -3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.685 -15.220 -4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.716 -15.510 -2.297 1.00 0.00 H new ATOM 1137 N GLY A 85 2.870 -15.370 -3.979 1.00 0.00 N ATOM 1138 CA GLY A 85 1.598 -16.049 -4.150 1.00 0.00 C ATOM 1139 C GLY A 85 0.484 -15.101 -4.547 1.00 0.00 C ATOM 1140 O GLY A 85 0.461 -13.935 -4.152 1.00 0.00 O ATOM 0 H GLY A 85 2.955 -14.487 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.702 -16.822 -4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.330 -16.551 -3.220 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.467 -15.603 -5.349 1.00 0.00 N ATOM 1145 CA PRO A 86 -1.606 -14.809 -5.819 1.00 0.00 C ATOM 1146 C PRO A 86 -2.587 -14.482 -4.698 1.00 0.00 C ATOM 1147 O PRO A 86 -3.501 -13.678 -4.876 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.267 -15.717 -6.859 1.00 0.00 C ATOM 1149 CG PRO A 86 -1.878 -17.098 -6.457 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.503 -16.984 -5.859 1.00 0.00 C ATOM 0 HA PRO A 86 -1.293 -13.843 -6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.350 -15.595 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.919 -15.485 -7.866 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.585 -17.508 -5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -1.875 -17.768 -7.316 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.350 -17.711 -5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.275 -17.158 -6.603 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.389 -15.111 -3.543 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.257 -14.886 -2.394 1.00 0.00 C ATOM 1160 C GLN A 87 -2.688 -13.801 -1.486 1.00 0.00 C ATOM 1161 O GLN A 87 -1.474 -13.703 -1.305 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.440 -16.184 -1.605 1.00 0.00 C ATOM 1163 CG GLN A 87 -4.241 -17.240 -2.348 1.00 0.00 C ATOM 1164 CD GLN A 87 -4.407 -18.517 -1.549 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -5.163 -18.562 -0.578 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -3.699 -19.566 -1.953 1.00 0.00 N ATOM 0 H GLN A 87 -1.636 -15.779 -3.379 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.227 -14.553 -2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.459 -16.591 -1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.938 -15.959 -0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.224 -16.839 -2.593 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.746 -17.468 -3.292 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.084 -19.485 -2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.770 -20.452 -1.453 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.572 -12.988 -0.917 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.157 -11.909 -0.027 1.00 0.00 C ATOM 1177 C HIS A 88 -2.320 -12.450 1.129 1.00 0.00 C ATOM 1178 O HIS A 88 -2.513 -13.584 1.569 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.380 -11.169 0.517 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.068 -10.318 -0.506 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.310 -8.972 -0.325 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -5.565 -10.627 -1.726 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -5.927 -8.491 -1.389 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.093 -9.475 -2.255 1.00 0.00 N ATOM 0 H HIS A 88 -4.580 -13.056 -1.056 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.546 -11.213 -0.601 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.090 -11.897 0.909 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.072 -10.541 1.353 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.549 -11.599 -2.196 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.242 -7.467 -1.528 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.540 -9.392 -3.168 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.392 -11.633 1.613 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.526 -12.029 2.717 1.00 0.00 C ATOM 1195 C ILE A 89 -1.275 -11.989 4.045 1.00 0.00 C ATOM 1196 O ILE A 89 -2.363 -11.420 4.139 1.00 0.00 O ATOM 1197 CB ILE A 89 0.715 -11.123 2.813 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.296 -9.667 3.020 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.569 -11.261 1.561 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.356 -8.823 3.693 1.00 0.00 C ATOM 0 H ILE A 89 -1.220 -10.692 1.258 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.204 -13.051 2.514 1.00 0.00 H new ATOM 0 HB ILE A 89 1.309 -11.436 3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.052 -9.227 2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.613 -9.641 3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.443 -10.615 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.892 -12.296 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.984 -10.971 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.990 -7.803 3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.584 -9.239 4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.259 -8.818 3.083 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.684 -12.594 5.070 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.293 -12.624 6.395 1.00 0.00 C ATOM 1214 C VAL A 90 -1.731 -11.230 6.830 1.00 0.00 C ATOM 1215 O VAL A 90 -0.907 -10.331 6.991 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.324 -13.198 7.445 1.00 0.00 C ATOM 1217 CG1 VAL A 90 0.928 -12.339 7.542 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -1.010 -13.308 8.798 1.00 0.00 C ATOM 0 H VAL A 90 0.216 -13.070 5.009 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.167 -13.271 6.327 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.026 -14.198 7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.601 -12.760 8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.429 -12.315 6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.652 -11.325 7.832 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.311 -13.715 9.528 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.338 -12.320 9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.874 -13.968 8.715 1.00 0.00 H new ATOM 1228 N GLY A 91 -3.036 -11.059 7.021 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.562 -9.771 7.437 1.00 0.00 C ATOM 1230 C GLY A 91 -4.244 -9.030 6.304 1.00 0.00 C ATOM 1231 O GLY A 91 -5.336 -8.488 6.476 1.00 0.00 O ATOM 0 H GLY A 91 -3.738 -11.788 6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.272 -9.918 8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.749 -9.160 7.830 1.00 0.00 H new ATOM 1235 N SER A 92 -3.598 -9.004 5.142 1.00 0.00 N ATOM 1236 CA SER A 92 -4.147 -8.319 3.978 1.00 0.00 C ATOM 1237 C SER A 92 -5.417 -9.010 3.490 1.00 0.00 C ATOM 1238 O SER A 92 -5.647 -10.193 3.741 1.00 0.00 O ATOM 1239 CB SER A 92 -3.113 -8.274 2.852 1.00 0.00 C ATOM 1240 OG SER A 92 -2.172 -7.236 3.065 1.00 0.00 O ATOM 0 H SER A 92 -2.694 -9.449 4.982 1.00 0.00 H new ATOM 0 HA SER A 92 -4.398 -7.300 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.595 -9.231 2.791 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.617 -8.122 1.897 1.00 0.00 H new ATOM 0 HG SER A 92 -2.443 -6.703 3.842 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.263 -8.253 2.775 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.001 -6.844 2.470 1.00 0.00 C ATOM 1248 C PRO A 93 -6.097 -5.956 3.706 1.00 0.00 C ATOM 1249 O PRO A 93 -6.504 -6.408 4.777 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.101 -6.486 1.468 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.205 -7.443 1.760 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.542 -8.716 2.209 1.00 0.00 C ATOM 0 HA PRO A 93 -4.992 -6.691 2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.429 -5.454 1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.750 -6.588 0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.865 -7.053 2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.818 -7.613 0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.143 -9.242 2.951 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.388 -9.404 1.378 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.721 -4.691 3.551 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.765 -3.739 4.656 1.00 0.00 C ATOM 1262 C PHE A 94 -6.703 -2.579 4.337 1.00 0.00 C ATOM 1263 O PHE A 94 -6.695 -2.045 3.228 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.362 -3.208 4.955 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.458 -4.226 5.589 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.601 -4.562 6.926 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.466 -4.849 4.849 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.770 -5.498 7.512 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.632 -5.786 5.430 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.785 -6.112 6.763 1.00 0.00 C ATOM 0 H PHE A 94 -5.382 -4.301 2.671 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.145 -4.258 5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.909 -2.859 4.027 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.442 -2.344 5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.370 -4.087 7.517 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.343 -4.600 3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.891 -5.749 8.555 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.862 -6.263 4.842 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.136 -6.845 7.219 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.513 -2.194 5.318 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.457 -1.097 5.145 1.00 0.00 C ATOM 1282 C LYS A 95 -7.891 0.203 5.709 1.00 0.00 C ATOM 1283 O LYS A 95 -7.447 0.251 6.856 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.785 -1.427 5.830 1.00 0.00 C ATOM 1285 CG LYS A 95 -10.989 -0.784 5.165 1.00 0.00 C ATOM 1286 CD LYS A 95 -12.284 -1.463 5.578 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.538 -2.722 4.763 1.00 0.00 C ATOM 1288 NZ LYS A 95 -11.703 -3.863 5.229 1.00 0.00 N ATOM 0 H LYS A 95 -7.534 -2.626 6.242 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.629 -0.964 4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.920 -2.509 5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.738 -1.103 6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.031 0.273 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.879 -0.837 4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.241 -1.716 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.116 -0.771 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.592 -2.992 4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.327 -2.523 3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.246 -4.746 5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.846 -3.928 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.433 -3.713 6.222 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.912 1.254 4.896 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.405 2.554 5.316 1.00 0.00 C ATOM 1304 C ALA A 96 -8.476 3.631 5.182 1.00 0.00 C ATOM 1305 O ALA A 96 -9.119 3.756 4.140 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.174 2.928 4.504 1.00 0.00 C ATOM 0 H ALA A 96 -8.275 1.230 3.943 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.126 2.485 6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.806 3.901 4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.397 2.178 4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.435 2.973 3.447 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.663 4.408 6.244 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.656 5.476 6.246 1.00 0.00 C ATOM 1314 C LYS A 97 -8.984 6.844 6.287 1.00 0.00 C ATOM 1315 O LYS A 97 -8.112 7.094 7.120 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.598 5.322 7.442 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.654 6.411 7.529 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.820 6.133 6.595 1.00 0.00 C ATOM 1319 CE LYS A 97 -13.842 5.209 7.239 1.00 0.00 C ATOM 1320 NZ LYS A 97 -14.762 5.948 8.149 1.00 0.00 N ATOM 0 H LYS A 97 -8.139 4.318 7.115 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.234 5.403 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.092 4.352 7.382 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.010 5.324 8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.017 6.486 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.207 7.373 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.300 7.073 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.450 5.683 5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.422 4.711 6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.325 4.430 7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.443 5.284 8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.211 6.402 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.274 6.675 7.609 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.396 7.728 5.384 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.835 9.073 5.320 1.00 0.00 C ATOM 1336 C VAL A 98 -9.914 10.129 5.530 1.00 0.00 C ATOM 1337 O VAL A 98 -11.018 10.021 4.994 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.140 9.327 3.969 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.465 10.690 3.963 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -7.134 8.224 3.672 1.00 0.00 C ATOM 0 H VAL A 98 -10.116 7.537 4.687 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.098 9.147 6.119 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.896 9.319 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.980 10.851 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.212 11.467 4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.719 10.730 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.652 8.419 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.380 8.198 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.648 7.264 3.630 1.00 0.00 H new ATOM 1350 N THR A 99 -9.588 11.152 6.313 1.00 0.00 N ATOM 1351 CA THR A 99 -10.529 12.229 6.595 1.00 0.00 C ATOM 1352 C THR A 99 -10.000 13.568 6.094 1.00 0.00 C ATOM 1353 O THR A 99 -8.802 13.724 5.858 1.00 0.00 O ATOM 1354 CB THR A 99 -10.822 12.338 8.104 1.00 0.00 C ATOM 1355 OG1 THR A 99 -11.746 13.405 8.347 1.00 0.00 O ATOM 1356 CG2 THR A 99 -9.541 12.581 8.888 1.00 0.00 C ATOM 0 H THR A 99 -8.679 11.258 6.763 1.00 0.00 H new ATOM 0 HA THR A 99 -11.452 11.987 6.069 1.00 0.00 H new ATOM 0 HB THR A 99 -11.259 11.396 8.436 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.929 13.467 9.308 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.773 12.654 9.950 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.851 11.753 8.724 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.080 13.510 8.552 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.900 14.533 5.933 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.504 15.846 5.461 1.00 0.00 C ATOM 1366 C GLY A 100 -11.262 16.269 4.219 1.00 0.00 C ATOM 1367 O GLY A 100 -11.908 15.459 3.554 1.00 0.00 O ATOM 0 H GLY A 100 -11.897 14.428 6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.670 16.578 6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.435 15.845 5.248 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.190 17.568 3.890 1.00 0.00 N ATOM 1372 CA PRO A 101 -11.870 18.126 2.718 1.00 0.00 C ATOM 1373 C PRO A 101 -11.245 17.659 1.408 1.00 0.00 C ATOM 1374 O PRO A 101 -10.039 17.796 1.201 1.00 0.00 O ATOM 1375 CB PRO A 101 -11.689 19.637 2.889 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.458 19.779 3.716 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.439 18.590 4.637 1.00 0.00 C ATOM 0 HA PRO A 101 -12.912 17.811 2.663 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.578 20.134 1.925 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.551 20.086 3.382 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.567 19.801 3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.473 20.711 4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.421 18.264 4.851 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.910 18.815 5.594 1.00 0.00 H new ATOM 1385 N ARG A 102 -12.073 17.109 0.526 1.00 0.00 N ATOM 1386 CA ARG A 102 -11.601 16.621 -0.765 1.00 0.00 C ATOM 1387 C ARG A 102 -10.481 17.506 -1.303 1.00 0.00 C ATOM 1388 O ARG A 102 -10.718 18.640 -1.722 1.00 0.00 O ATOM 1389 CB ARG A 102 -12.754 16.572 -1.769 1.00 0.00 C ATOM 1390 CG ARG A 102 -12.508 15.625 -2.932 1.00 0.00 C ATOM 1391 CD ARG A 102 -13.791 15.336 -3.696 1.00 0.00 C ATOM 1392 NE ARG A 102 -14.849 14.840 -2.820 1.00 0.00 N ATOM 1393 CZ ARG A 102 -16.125 14.760 -3.181 1.00 0.00 C ATOM 1394 NH1 ARG A 102 -16.499 15.142 -4.395 1.00 0.00 N ATOM 1395 NH2 ARG A 102 -17.030 14.297 -2.328 1.00 0.00 N ATOM 0 H ARG A 102 -13.074 16.990 0.681 1.00 0.00 H new ATOM 0 HA ARG A 102 -11.209 15.614 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -13.664 16.269 -1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.928 17.575 -2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.771 16.060 -3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -12.087 14.691 -2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.129 16.245 -4.194 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.591 14.601 -4.475 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.594 14.538 -1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -15.806 15.498 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -17.479 15.080 -4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.746 14.002 -1.394 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -18.009 14.236 -2.607 1.00 0.00 H new ATOM 1409 N LEU A 103 -9.260 16.982 -1.289 1.00 0.00 N ATOM 1410 CA LEU A 103 -8.102 17.724 -1.776 1.00 0.00 C ATOM 1411 C LEU A 103 -7.515 17.063 -3.018 1.00 0.00 C ATOM 1412 O LEU A 103 -6.671 16.172 -2.919 1.00 0.00 O ATOM 1413 CB LEU A 103 -7.037 17.819 -0.682 1.00 0.00 C ATOM 1414 CG LEU A 103 -7.180 18.987 0.294 1.00 0.00 C ATOM 1415 CD1 LEU A 103 -6.178 18.858 1.431 1.00 0.00 C ATOM 1416 CD2 LEU A 103 -6.999 20.313 -0.430 1.00 0.00 C ATOM 0 H LEU A 103 -9.046 16.046 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.430 18.728 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.048 16.891 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.060 17.888 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.184 18.961 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.294 19.698 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.354 17.926 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.166 18.858 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.104 21.133 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.007 20.349 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.756 20.409 -1.209 1.00 0.00 H new ATOM 1428 N SER A 104 -7.965 17.507 -4.187 1.00 0.00 N ATOM 1429 CA SER A 104 -7.485 16.957 -5.450 1.00 0.00 C ATOM 1430 C SER A 104 -6.412 17.854 -6.060 1.00 0.00 C ATOM 1431 O SER A 104 -5.305 17.404 -6.355 1.00 0.00 O ATOM 1432 CB SER A 104 -8.646 16.791 -6.432 1.00 0.00 C ATOM 1433 OG SER A 104 -9.704 16.051 -5.850 1.00 0.00 O ATOM 0 H SER A 104 -8.661 18.246 -4.286 1.00 0.00 H new ATOM 0 HA SER A 104 -7.046 15.980 -5.249 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.010 17.772 -6.739 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.296 16.285 -7.332 1.00 0.00 H new ATOM 0 HG SER A 104 -10.434 15.960 -6.497 1.00 0.00 H new ATOM 1439 N GLY A 105 -6.749 19.127 -6.246 1.00 0.00 N ATOM 1440 CA GLY A 105 -5.805 20.067 -6.820 1.00 0.00 C ATOM 1441 C GLY A 105 -6.429 20.931 -7.898 1.00 0.00 C ATOM 1442 O GLY A 105 -6.554 20.509 -9.047 1.00 0.00 O ATOM 0 H GLY A 105 -7.659 19.523 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.408 20.706 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.962 19.519 -7.241 1.00 0.00 H new ATOM 1446 N SER A 106 -6.825 22.145 -7.526 1.00 0.00 N ATOM 1447 CA SER A 106 -7.445 23.069 -8.468 1.00 0.00 C ATOM 1448 C SER A 106 -6.423 24.066 -9.005 1.00 0.00 C ATOM 1449 O SER A 106 -5.845 24.846 -8.250 1.00 0.00 O ATOM 1450 CB SER A 106 -8.599 23.816 -7.797 1.00 0.00 C ATOM 1451 OG SER A 106 -9.642 22.927 -7.437 1.00 0.00 O ATOM 0 H SER A 106 -6.727 22.511 -6.579 1.00 0.00 H new ATOM 0 HA SER A 106 -7.834 22.489 -9.305 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.234 24.332 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.985 24.579 -8.473 1.00 0.00 H new ATOM 0 HG SER A 106 -10.366 23.429 -7.009 1.00 0.00 H new ATOM 1457 N GLY A 107 -6.205 24.032 -10.316 1.00 0.00 N ATOM 1458 CA GLY A 107 -5.252 24.937 -10.933 1.00 0.00 C ATOM 1459 C GLY A 107 -5.235 24.818 -12.444 1.00 0.00 C ATOM 1460 O GLY A 107 -5.858 23.929 -13.025 1.00 0.00 O ATOM 0 H GLY A 107 -6.671 23.394 -10.962 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.497 25.962 -10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.255 24.730 -10.544 1.00 0.00 H new ATOM 1464 N PRO A 108 -4.509 25.732 -13.105 1.00 0.00 N ATOM 1465 CA PRO A 108 -4.397 25.748 -14.566 1.00 0.00 C ATOM 1466 C PRO A 108 -3.583 24.574 -15.098 1.00 0.00 C ATOM 1467 O PRO A 108 -2.512 24.261 -14.576 1.00 0.00 O ATOM 1468 CB PRO A 108 -3.680 27.070 -14.853 1.00 0.00 C ATOM 1469 CG PRO A 108 -2.915 27.363 -13.609 1.00 0.00 C ATOM 1470 CD PRO A 108 -3.742 26.821 -12.476 1.00 0.00 C ATOM 0 HA PRO A 108 -5.370 25.661 -15.050 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.017 26.982 -15.714 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.391 27.865 -15.077 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -1.933 26.892 -13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.752 28.435 -13.495 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -3.117 26.454 -11.662 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.398 27.584 -12.056 1.00 0.00 H new ATOM 1478 N SER A 109 -4.096 23.926 -16.139 1.00 0.00 N ATOM 1479 CA SER A 109 -3.417 22.784 -16.740 1.00 0.00 C ATOM 1480 C SER A 109 -2.546 23.224 -17.912 1.00 0.00 C ATOM 1481 O SER A 109 -2.947 24.064 -18.717 1.00 0.00 O ATOM 1482 CB SER A 109 -4.438 21.746 -17.210 1.00 0.00 C ATOM 1483 OG SER A 109 -5.238 22.258 -18.262 1.00 0.00 O ATOM 0 H SER A 109 -4.980 24.173 -16.584 1.00 0.00 H new ATOM 0 HA SER A 109 -2.775 22.335 -15.982 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.920 20.848 -17.547 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.074 21.453 -16.375 1.00 0.00 H new ATOM 0 HG SER A 109 -5.881 21.575 -18.546 1.00 0.00 H new ATOM 1489 N SER A 110 -1.350 22.650 -18.001 1.00 0.00 N ATOM 1490 CA SER A 110 -0.419 22.985 -19.072 1.00 0.00 C ATOM 1491 C SER A 110 -0.139 21.768 -19.949 1.00 0.00 C ATOM 1492 O SER A 110 -0.304 21.816 -21.167 1.00 0.00 O ATOM 1493 CB SER A 110 0.891 23.520 -18.489 1.00 0.00 C ATOM 1494 OG SER A 110 1.532 24.398 -19.398 1.00 0.00 O ATOM 0 H SER A 110 -1.003 21.951 -17.344 1.00 0.00 H new ATOM 0 HA SER A 110 -0.877 23.758 -19.689 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.690 24.043 -17.554 1.00 0.00 H new ATOM 0 HB3 SER A 110 1.554 22.688 -18.253 1.00 0.00 H new ATOM 0 HG SER A 110 2.366 24.728 -19.002 1.00 0.00 H new ATOM 1500 N GLY A 111 0.287 20.678 -19.318 1.00 0.00 N ATOM 1501 CA GLY A 111 0.583 19.463 -20.055 1.00 0.00 C ATOM 1502 C GLY A 111 -0.378 18.338 -19.729 1.00 0.00 C ATOM 1503 O GLY A 111 0.010 17.336 -19.129 1.00 0.00 O ATOM 0 H GLY A 111 0.432 20.615 -18.310 1.00 0.00 H new ATOM 0 HA2 GLY A 111 0.544 19.672 -21.124 1.00 0.00 H new ATOM 0 HA3 GLY A 111 1.601 19.144 -19.830 1.00 0.00 H new TER 1507 GLY A 111