USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 692 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 66 THR OG1 : rot 180:sc= -1.02 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.524 K(o=-1.5,f=-2.8!) USER MOD Set 2.1: A 2 SER OG : rot 129:sc= -0.587 USER MOD Set 2.2: A 4 ASN :FLIP amide:sc= 0.327 F(o=-4.5!,f=-0.26) USER MOD Single : A 1 GLY N :NH3+ 168:sc= -0.0423 (180deg=-0.219) USER MOD Single : A 5 SER OG : rot -63:sc= 0.605 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0249 X(o=-0.025,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -25:sc= 0.576 USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= -0.211 (180deg=-0.879) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= -0.119 (180deg=-0.694) USER MOD Single : A 38 GLN : amide:sc= -0.375 X(o=-0.37,f=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.0213 X(o=-0.021,f=-0.29) USER MOD Single : A 43 SER OG : rot -87:sc= -0.11 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -38:sc= 0.0615! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -2.65! C(o=-5.4!,f=-2.6!) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.441 K(o=-0.44,f=-4.3!) USER MOD Single : A 74 GLN : amide:sc= -2.19 K(o=-2.2,f=-4.2!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 80 SER OG : rot -32:sc= 0.253 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -2.92 K(o=-2.9,f=-4.2!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 73:sc= 1.15 USER MOD Single : A 87 LYS NZ :NH3+ 147:sc= -1.59 (180deg=-2.27!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.320 4.793 -23.944 1.00 0.00 N ATOM 2 CA GLY A 1 14.059 5.061 -24.692 1.00 0.00 C ATOM 3 C GLY A 1 13.377 6.303 -24.116 1.00 0.00 C ATOM 4 O GLY A 1 12.184 6.489 -24.255 1.00 0.00 O ATOM 0 H1 GLY A 1 15.677 3.848 -24.192 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.031 5.509 -24.195 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.133 4.835 -22.922 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.276 5.210 -25.750 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.392 4.202 -24.621 1.00 0.00 H new ATOM 10 N SER A 2 14.124 7.155 -23.469 1.00 0.00 N ATOM 11 CA SER A 2 13.518 8.384 -22.884 1.00 0.00 C ATOM 12 C SER A 2 14.640 9.276 -22.323 1.00 0.00 C ATOM 13 O SER A 2 15.741 8.815 -22.101 1.00 0.00 O ATOM 14 CB SER A 2 12.547 7.978 -21.760 1.00 0.00 C ATOM 15 OG SER A 2 12.845 8.704 -20.573 1.00 0.00 O ATOM 0 H SER A 2 15.128 7.053 -23.320 1.00 0.00 H new ATOM 0 HA SER A 2 12.969 8.937 -23.646 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.520 8.174 -22.067 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.625 6.907 -21.570 1.00 0.00 H new ATOM 0 HG SER A 2 12.028 9.124 -20.232 1.00 0.00 H new ATOM 21 N PRO A 3 14.369 10.541 -22.091 1.00 0.00 N ATOM 22 CA PRO A 3 15.410 11.461 -21.544 1.00 0.00 C ATOM 23 C PRO A 3 15.944 10.978 -20.186 1.00 0.00 C ATOM 24 O PRO A 3 17.112 11.118 -19.882 1.00 0.00 O ATOM 25 CB PRO A 3 14.646 12.796 -21.417 1.00 0.00 C ATOM 26 CG PRO A 3 13.154 12.530 -21.703 1.00 0.00 C ATOM 27 CD PRO A 3 13.029 11.142 -22.350 1.00 0.00 C ATOM 0 HA PRO A 3 16.297 11.530 -22.173 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.773 13.212 -20.418 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.043 13.529 -22.120 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.577 12.572 -20.779 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.752 13.296 -22.366 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.228 10.556 -21.900 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.814 11.210 -23.416 1.00 0.00 H new ATOM 35 N ASN A 4 15.096 10.414 -19.370 1.00 0.00 N ATOM 36 CA ASN A 4 15.555 9.927 -18.039 1.00 0.00 C ATOM 37 C ASN A 4 16.784 9.033 -18.218 1.00 0.00 C ATOM 38 O ASN A 4 16.822 8.180 -19.082 1.00 0.00 O ATOM 39 CB ASN A 4 14.434 9.124 -17.373 1.00 0.00 C ATOM 40 CG ASN A 4 13.126 9.912 -17.449 1.00 0.00 C ATOM 41 OD1 ASN A 4 12.576 10.130 -18.613 1.00 0.00 O flip ATOM 42 ND2 ASN A 4 12.599 10.336 -16.441 1.00 0.00 N flip ATOM 0 H ASN A 4 14.106 10.270 -19.568 1.00 0.00 H new ATOM 0 HA ASN A 4 15.814 10.780 -17.411 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.319 8.160 -17.869 1.00 0.00 H new ATOM 0 HB3 ASN A 4 14.688 8.919 -16.333 1.00 0.00 H new ATOM 0 HD21 ASN A 4 13.028 10.166 -15.531 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.727 10.862 -16.504 1.00 0.00 H new ATOM 49 N SER A 5 17.790 9.222 -17.408 1.00 0.00 N ATOM 50 CA SER A 5 19.014 8.384 -17.534 1.00 0.00 C ATOM 51 C SER A 5 19.916 8.610 -16.317 1.00 0.00 C ATOM 52 O SER A 5 19.925 9.673 -15.729 1.00 0.00 O ATOM 53 CB SER A 5 19.771 8.770 -18.805 1.00 0.00 C ATOM 54 OG SER A 5 20.880 7.898 -18.975 1.00 0.00 O ATOM 0 H SER A 5 17.816 9.920 -16.665 1.00 0.00 H new ATOM 0 HA SER A 5 18.728 7.333 -17.586 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.109 8.708 -19.669 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.113 9.803 -18.739 1.00 0.00 H new ATOM 0 HG SER A 5 21.503 8.011 -18.227 1.00 0.00 H new ATOM 60 N TYR A 6 20.674 7.618 -15.937 1.00 0.00 N ATOM 61 CA TYR A 6 21.573 7.777 -14.760 1.00 0.00 C ATOM 62 C TYR A 6 20.772 8.318 -13.573 1.00 0.00 C ATOM 63 O TYR A 6 21.319 8.892 -12.653 1.00 0.00 O ATOM 64 CB TYR A 6 22.696 8.757 -15.105 1.00 0.00 C ATOM 65 CG TYR A 6 23.554 8.174 -16.202 1.00 0.00 C ATOM 66 CD1 TYR A 6 24.602 7.303 -15.882 1.00 0.00 C ATOM 67 CD2 TYR A 6 23.301 8.503 -17.539 1.00 0.00 C ATOM 68 CE1 TYR A 6 25.398 6.761 -16.899 1.00 0.00 C ATOM 69 CE2 TYR A 6 24.096 7.961 -18.555 1.00 0.00 C ATOM 70 CZ TYR A 6 25.144 7.091 -18.236 1.00 0.00 C ATOM 71 OH TYR A 6 25.928 6.557 -19.239 1.00 0.00 O ATOM 0 H TYR A 6 20.709 6.705 -16.391 1.00 0.00 H new ATOM 0 HA TYR A 6 22.001 6.810 -14.498 1.00 0.00 H new ATOM 0 HB2 TYR A 6 22.276 9.710 -15.425 1.00 0.00 H new ATOM 0 HB3 TYR A 6 23.303 8.957 -14.222 1.00 0.00 H new ATOM 0 HD1 TYR A 6 24.797 7.049 -14.851 1.00 0.00 H new ATOM 0 HD2 TYR A 6 22.492 9.175 -17.786 1.00 0.00 H new ATOM 0 HE1 TYR A 6 26.207 6.089 -16.652 1.00 0.00 H new ATOM 0 HE2 TYR A 6 23.900 8.215 -19.586 1.00 0.00 H new ATOM 0 HH TYR A 6 25.617 6.887 -20.108 1.00 0.00 H new ATOM 81 N GLY A 7 19.479 8.138 -13.587 1.00 0.00 N ATOM 82 CA GLY A 7 18.646 8.641 -12.459 1.00 0.00 C ATOM 83 C GLY A 7 19.095 7.976 -11.156 1.00 0.00 C ATOM 84 O GLY A 7 18.688 8.363 -10.080 1.00 0.00 O ATOM 0 H GLY A 7 18.965 7.665 -14.330 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.740 9.724 -12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.594 8.426 -12.646 1.00 0.00 H new ATOM 88 N ASP A 8 19.931 6.975 -11.251 1.00 0.00 N ATOM 89 CA ASP A 8 20.414 6.274 -10.025 1.00 0.00 C ATOM 90 C ASP A 8 19.227 5.667 -9.273 1.00 0.00 C ATOM 91 O ASP A 8 18.155 6.237 -9.220 1.00 0.00 O ATOM 92 CB ASP A 8 21.146 7.269 -9.115 1.00 0.00 C ATOM 93 CG ASP A 8 21.990 6.503 -8.093 1.00 0.00 C ATOM 94 OD1 ASP A 8 21.515 5.496 -7.596 1.00 0.00 O ATOM 95 OD2 ASP A 8 23.098 6.939 -7.824 1.00 0.00 O ATOM 0 H ASP A 8 20.301 6.612 -12.129 1.00 0.00 H new ATOM 0 HA ASP A 8 21.100 5.478 -10.315 1.00 0.00 H new ATOM 0 HB2 ASP A 8 21.783 7.922 -9.711 1.00 0.00 H new ATOM 0 HB3 ASP A 8 20.426 7.907 -8.602 1.00 0.00 H new ATOM 100 N LEU A 9 19.411 4.513 -8.688 1.00 0.00 N ATOM 101 CA LEU A 9 18.297 3.861 -7.932 1.00 0.00 C ATOM 102 C LEU A 9 18.438 4.188 -6.444 1.00 0.00 C ATOM 103 O LEU A 9 17.515 4.020 -5.672 1.00 0.00 O ATOM 104 CB LEU A 9 18.365 2.343 -8.125 1.00 0.00 C ATOM 105 CG LEU A 9 18.466 2.007 -9.618 1.00 0.00 C ATOM 106 CD1 LEU A 9 18.613 0.492 -9.786 1.00 0.00 C ATOM 107 CD2 LEU A 9 17.201 2.483 -10.345 1.00 0.00 C ATOM 0 H LEU A 9 20.287 3.991 -8.700 1.00 0.00 H new ATOM 0 HA LEU A 9 17.341 4.231 -8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.227 1.939 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 9 17.479 1.874 -7.698 1.00 0.00 H new ATOM 0 HG LEU A 9 19.334 2.510 -10.044 1.00 0.00 H new ATOM 0 HD11 LEU A 9 18.685 0.249 -10.846 1.00 0.00 H new ATOM 0 HD12 LEU A 9 19.514 0.155 -9.274 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.744 -0.008 -9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 9 17.278 2.242 -11.405 1.00 0.00 H new ATOM 0 HD22 LEU A 9 16.329 1.984 -9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 9 17.096 3.561 -10.225 1.00 0.00 H new ATOM 119 N GLY A 10 19.587 4.654 -6.035 1.00 0.00 N ATOM 120 CA GLY A 10 19.786 4.992 -4.597 1.00 0.00 C ATOM 121 C GLY A 10 19.842 3.705 -3.772 1.00 0.00 C ATOM 122 O GLY A 10 20.173 3.720 -2.603 1.00 0.00 O ATOM 0 H GLY A 10 20.396 4.815 -6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 10 20.709 5.558 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 10 18.972 5.626 -4.246 1.00 0.00 H new ATOM 126 N GLY A 11 19.518 2.591 -4.369 1.00 0.00 N ATOM 127 CA GLY A 11 19.551 1.304 -3.617 1.00 0.00 C ATOM 128 C GLY A 11 18.719 0.253 -4.363 1.00 0.00 C ATOM 129 O GLY A 11 17.984 0.578 -5.275 1.00 0.00 O ATOM 0 H GLY A 11 19.232 2.516 -5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 11 20.580 0.960 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.157 1.448 -2.611 1.00 0.00 H new ATOM 133 N PRO A 12 18.831 -1.003 -3.988 1.00 0.00 N ATOM 134 CA PRO A 12 18.059 -2.082 -4.670 1.00 0.00 C ATOM 135 C PRO A 12 16.544 -1.922 -4.480 1.00 0.00 C ATOM 136 O PRO A 12 16.074 -1.551 -3.423 1.00 0.00 O ATOM 137 CB PRO A 12 18.584 -3.354 -3.973 1.00 0.00 C ATOM 138 CG PRO A 12 19.361 -2.922 -2.717 1.00 0.00 C ATOM 139 CD PRO A 12 19.723 -1.437 -2.872 1.00 0.00 C ATOM 0 HA PRO A 12 18.194 -2.085 -5.752 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.756 -4.009 -3.702 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.230 -3.918 -4.646 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.757 -3.076 -1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.262 -3.524 -2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.532 -0.875 -1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 12 20.776 -1.299 -3.117 1.00 0.00 H new ATOM 147 N ILE A 13 15.781 -2.209 -5.498 1.00 0.00 N ATOM 148 CA ILE A 13 14.301 -2.087 -5.384 1.00 0.00 C ATOM 149 C ILE A 13 13.752 -3.335 -4.689 1.00 0.00 C ATOM 150 O ILE A 13 14.234 -4.430 -4.902 1.00 0.00 O ATOM 151 CB ILE A 13 13.695 -1.973 -6.790 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.444 -0.898 -7.589 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.212 -1.599 -6.695 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.500 0.412 -6.795 1.00 0.00 C ATOM 0 H ILE A 13 16.120 -2.524 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 13 14.042 -1.201 -4.805 1.00 0.00 H new ATOM 0 HB ILE A 13 13.789 -2.934 -7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.455 -1.239 -7.812 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.945 -0.731 -8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.792 -1.521 -7.698 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.678 -2.368 -6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.110 -0.642 -6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.034 1.166 -7.374 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.487 0.759 -6.594 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.019 0.244 -5.852 1.00 0.00 H new ATOM 166 N ILE A 14 12.765 -3.180 -3.840 1.00 0.00 N ATOM 167 CA ILE A 14 12.194 -4.349 -3.098 1.00 0.00 C ATOM 168 C ILE A 14 10.691 -4.440 -3.360 1.00 0.00 C ATOM 169 O ILE A 14 10.026 -3.437 -3.537 1.00 0.00 O ATOM 170 CB ILE A 14 12.430 -4.127 -1.600 1.00 0.00 C ATOM 171 CG1 ILE A 14 13.933 -4.006 -1.342 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.874 -5.307 -0.800 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.167 -3.538 0.094 1.00 0.00 C ATOM 0 H ILE A 14 12.326 -2.284 -3.627 1.00 0.00 H new ATOM 0 HA ILE A 14 12.671 -5.271 -3.429 1.00 0.00 H new ATOM 0 HB ILE A 14 11.923 -3.214 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.420 -4.967 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.378 -3.300 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.047 -5.139 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.804 -5.399 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.375 -6.224 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.238 -3.452 0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.694 -2.567 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.737 -4.261 0.787 1.00 0.00 H new ATOM 185 N THR A 15 10.143 -5.630 -3.368 1.00 0.00 N ATOM 186 CA THR A 15 8.677 -5.808 -3.592 1.00 0.00 C ATOM 187 C THR A 15 8.122 -6.669 -2.458 1.00 0.00 C ATOM 188 O THR A 15 8.718 -7.647 -2.056 1.00 0.00 O ATOM 189 CB THR A 15 8.443 -6.516 -4.929 1.00 0.00 C ATOM 190 OG1 THR A 15 9.297 -5.958 -5.917 1.00 0.00 O ATOM 191 CG2 THR A 15 6.985 -6.343 -5.353 1.00 0.00 C ATOM 0 H THR A 15 10.659 -6.498 -3.226 1.00 0.00 H new ATOM 0 HA THR A 15 8.179 -4.838 -3.612 1.00 0.00 H new ATOM 0 HB THR A 15 8.662 -7.578 -4.820 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.148 -6.412 -6.772 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.821 -6.848 -6.305 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.332 -6.776 -4.595 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.761 -5.282 -5.462 1.00 0.00 H new ATOM 199 N THR A 16 6.982 -6.307 -1.943 1.00 0.00 N ATOM 200 CA THR A 16 6.361 -7.089 -0.831 1.00 0.00 C ATOM 201 C THR A 16 4.854 -7.179 -1.082 1.00 0.00 C ATOM 202 O THR A 16 4.263 -6.246 -1.587 1.00 0.00 O ATOM 203 CB THR A 16 6.624 -6.377 0.502 1.00 0.00 C ATOM 204 OG1 THR A 16 5.978 -7.084 1.551 1.00 0.00 O ATOM 205 CG2 THR A 16 6.088 -4.945 0.443 1.00 0.00 C ATOM 0 H THR A 16 6.445 -5.494 -2.246 1.00 0.00 H new ATOM 0 HA THR A 16 6.790 -8.090 -0.789 1.00 0.00 H new ATOM 0 HB THR A 16 7.698 -6.348 0.688 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.147 -6.631 2.403 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.278 -4.446 1.393 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.588 -4.402 -0.359 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.015 -4.966 0.253 1.00 0.00 H new ATOM 213 N GLN A 17 4.223 -8.286 -0.744 1.00 0.00 N ATOM 214 CA GLN A 17 2.742 -8.408 -0.986 1.00 0.00 C ATOM 215 C GLN A 17 1.993 -8.376 0.345 1.00 0.00 C ATOM 216 O GLN A 17 2.470 -8.859 1.352 1.00 0.00 O ATOM 217 CB GLN A 17 2.438 -9.716 -1.719 1.00 0.00 C ATOM 218 CG GLN A 17 3.056 -9.679 -3.117 1.00 0.00 C ATOM 219 CD GLN A 17 2.934 -11.060 -3.765 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.906 -11.601 -4.256 1.00 0.00 O ATOM 221 NE2 GLN A 17 1.775 -11.657 -3.787 1.00 0.00 N ATOM 0 H GLN A 17 4.663 -9.101 -0.316 1.00 0.00 H new ATOM 0 HA GLN A 17 2.414 -7.570 -1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.837 -10.560 -1.157 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.360 -9.862 -1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.551 -8.932 -3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.104 -9.386 -3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.960 -11.203 -3.375 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.684 -12.578 -4.216 1.00 0.00 H new ATOM 230 N VAL A 18 0.818 -7.792 0.348 1.00 0.00 N ATOM 231 CA VAL A 18 0.002 -7.692 1.597 1.00 0.00 C ATOM 232 C VAL A 18 -1.379 -8.297 1.341 1.00 0.00 C ATOM 233 O VAL A 18 -1.883 -8.273 0.239 1.00 0.00 O ATOM 234 CB VAL A 18 -0.171 -6.208 1.950 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.651 -6.066 3.397 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.167 -5.485 1.786 1.00 0.00 C ATOM 0 H VAL A 18 0.385 -7.375 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 18 0.497 -8.223 2.410 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.911 -5.767 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.771 -5.010 3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.607 -6.576 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.083 -6.511 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.044 -4.431 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.906 -5.932 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.505 -5.575 0.754 1.00 0.00 H new ATOM 246 N THR A 19 -1.994 -8.824 2.365 1.00 0.00 N ATOM 247 CA THR A 19 -3.358 -9.427 2.233 1.00 0.00 C ATOM 248 C THR A 19 -4.252 -8.775 3.294 1.00 0.00 C ATOM 249 O THR A 19 -3.888 -8.707 4.451 1.00 0.00 O ATOM 250 CB THR A 19 -3.267 -10.941 2.476 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.111 -11.450 1.827 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.512 -11.632 1.914 1.00 0.00 C ATOM 0 H THR A 19 -1.604 -8.864 3.306 1.00 0.00 H new ATOM 0 HA THR A 19 -3.769 -9.260 1.237 1.00 0.00 H new ATOM 0 HB THR A 19 -3.203 -11.133 3.547 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.048 -12.416 1.981 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.442 -12.706 2.089 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.400 -11.240 2.410 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.581 -11.443 0.843 1.00 0.00 H new ATOM 260 N ILE A 20 -5.409 -8.283 2.910 1.00 0.00 N ATOM 261 CA ILE A 20 -6.328 -7.616 3.898 1.00 0.00 C ATOM 262 C ILE A 20 -7.719 -8.285 3.809 1.00 0.00 C ATOM 263 O ILE A 20 -8.170 -8.592 2.723 1.00 0.00 O ATOM 264 CB ILE A 20 -6.469 -6.090 3.548 1.00 0.00 C ATOM 265 CG1 ILE A 20 -5.758 -5.741 2.228 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.848 -5.233 4.658 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.600 -6.221 1.056 1.00 0.00 C ATOM 0 H ILE A 20 -5.759 -8.314 1.952 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.921 -7.718 4.904 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.535 -5.884 3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.602 -4.664 2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.774 -6.208 2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.952 -4.178 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.359 -5.432 5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.791 -5.479 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.097 -5.974 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.733 -7.301 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.574 -5.733 1.084 1.00 0.00 H new ATOM 279 N PRO A 21 -8.429 -8.487 4.898 1.00 0.00 N ATOM 280 CA PRO A 21 -9.785 -9.089 4.788 1.00 0.00 C ATOM 281 C PRO A 21 -10.676 -8.255 3.849 1.00 0.00 C ATOM 282 O PRO A 21 -10.590 -7.042 3.821 1.00 0.00 O ATOM 283 CB PRO A 21 -10.293 -9.069 6.243 1.00 0.00 C ATOM 284 CG PRO A 21 -9.168 -8.522 7.149 1.00 0.00 C ATOM 285 CD PRO A 21 -7.957 -8.153 6.269 1.00 0.00 C ATOM 0 HA PRO A 21 -9.788 -10.092 4.361 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.182 -8.444 6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.578 -10.073 6.558 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.517 -7.647 7.697 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.883 -9.269 7.890 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.697 -7.098 6.361 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.070 -8.725 6.542 1.00 0.00 H new ATOM 293 N LYS A 22 -11.497 -8.886 3.058 1.00 0.00 N ATOM 294 CA LYS A 22 -12.346 -8.127 2.102 1.00 0.00 C ATOM 295 C LYS A 22 -13.050 -6.947 2.790 1.00 0.00 C ATOM 296 O LYS A 22 -13.165 -5.878 2.225 1.00 0.00 O ATOM 297 CB LYS A 22 -13.385 -9.075 1.499 1.00 0.00 C ATOM 298 CG LYS A 22 -14.254 -8.311 0.506 1.00 0.00 C ATOM 299 CD LYS A 22 -15.117 -9.296 -0.293 1.00 0.00 C ATOM 300 CE LYS A 22 -16.213 -9.884 0.604 1.00 0.00 C ATOM 301 NZ LYS A 22 -17.245 -10.542 -0.246 1.00 0.00 N ATOM 0 H LYS A 22 -11.616 -9.899 3.033 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.709 -7.719 1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.888 -9.906 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.005 -9.502 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.890 -7.602 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.626 -7.732 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.568 -8.788 -1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.494 -10.097 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.783 -10.606 1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.668 -9.097 1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.990 -10.942 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.662 -9.841 -0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.804 -11.303 -0.801 1.00 0.00 H new ATOM 315 N ASP A 23 -13.548 -7.126 3.985 1.00 0.00 N ATOM 316 CA ASP A 23 -14.267 -6.004 4.664 1.00 0.00 C ATOM 317 C ASP A 23 -13.338 -4.802 4.890 1.00 0.00 C ATOM 318 O ASP A 23 -13.704 -3.666 4.643 1.00 0.00 O ATOM 319 CB ASP A 23 -14.834 -6.481 6.002 1.00 0.00 C ATOM 320 CG ASP A 23 -15.795 -7.647 5.763 1.00 0.00 C ATOM 321 OD1 ASP A 23 -15.516 -8.450 4.887 1.00 0.00 O ATOM 322 OD2 ASP A 23 -16.794 -7.718 6.460 1.00 0.00 O ATOM 0 H ASP A 23 -13.490 -7.993 4.518 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.083 -5.685 4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.024 -6.793 6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.354 -5.663 6.501 1.00 0.00 H new ATOM 327 N LEU A 24 -12.132 -5.033 5.328 1.00 0.00 N ATOM 328 CA LEU A 24 -11.178 -3.913 5.544 1.00 0.00 C ATOM 329 C LEU A 24 -10.601 -3.502 4.189 1.00 0.00 C ATOM 330 O LEU A 24 -10.238 -2.363 3.972 1.00 0.00 O ATOM 331 CB LEU A 24 -10.040 -4.391 6.470 1.00 0.00 C ATOM 332 CG LEU A 24 -10.436 -4.194 7.943 1.00 0.00 C ATOM 333 CD1 LEU A 24 -11.678 -5.028 8.265 1.00 0.00 C ATOM 334 CD2 LEU A 24 -9.279 -4.627 8.852 1.00 0.00 C ATOM 0 H LEU A 24 -11.764 -5.959 5.547 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.684 -3.064 6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.825 -5.443 6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.128 -3.835 6.254 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.657 -3.140 8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.952 -4.883 9.310 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.503 -4.713 7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.464 -6.082 8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.563 -4.486 9.895 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.052 -5.679 8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.398 -4.024 8.631 1.00 0.00 H new ATOM 346 N ALA A 25 -10.515 -4.432 3.278 1.00 0.00 N ATOM 347 CA ALA A 25 -9.968 -4.122 1.933 1.00 0.00 C ATOM 348 C ALA A 25 -10.768 -2.981 1.314 1.00 0.00 C ATOM 349 O ALA A 25 -10.233 -2.095 0.682 1.00 0.00 O ATOM 350 CB ALA A 25 -10.116 -5.352 1.044 1.00 0.00 C ATOM 0 H ALA A 25 -10.804 -5.401 3.412 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.919 -3.839 2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.717 -5.135 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.567 -6.186 1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.170 -5.616 0.961 1.00 0.00 H new ATOM 356 N ARG A 26 -12.063 -3.015 1.490 1.00 0.00 N ATOM 357 CA ARG A 26 -12.925 -1.953 0.908 1.00 0.00 C ATOM 358 C ARG A 26 -12.769 -0.680 1.731 1.00 0.00 C ATOM 359 O ARG A 26 -12.847 0.415 1.209 1.00 0.00 O ATOM 360 CB ARG A 26 -14.386 -2.404 0.906 1.00 0.00 C ATOM 361 CG ARG A 26 -14.543 -3.615 -0.015 1.00 0.00 C ATOM 362 CD ARG A 26 -16.001 -4.076 -0.011 1.00 0.00 C ATOM 363 NE ARG A 26 -16.165 -5.215 -0.957 1.00 0.00 N ATOM 364 CZ ARG A 26 -17.236 -5.959 -0.903 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.162 -5.706 -0.020 1.00 0.00 N ATOM 366 NH2 ARG A 26 -17.379 -6.958 -1.731 1.00 0.00 N ATOM 0 H ARG A 26 -12.559 -3.736 2.014 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.623 -1.760 -0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.700 -2.660 1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.029 -1.591 0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.235 -3.356 -1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.894 -4.425 0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.295 -4.379 0.994 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.655 -3.253 -0.300 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.440 -5.413 -1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.049 -4.927 0.628 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.999 -6.287 0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.654 -7.157 -2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.216 -7.540 -1.689 1.00 0.00 H new ATOM 380 N SER A 27 -12.543 -0.799 3.010 1.00 0.00 N ATOM 381 CA SER A 27 -12.376 0.417 3.847 1.00 0.00 C ATOM 382 C SER A 27 -11.067 1.110 3.465 1.00 0.00 C ATOM 383 O SER A 27 -10.900 2.295 3.681 1.00 0.00 O ATOM 384 CB SER A 27 -12.326 0.015 5.321 1.00 0.00 C ATOM 385 OG SER A 27 -11.163 -0.769 5.556 1.00 0.00 O ATOM 0 H SER A 27 -12.467 -1.685 3.509 1.00 0.00 H new ATOM 0 HA SER A 27 -13.214 1.095 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.313 0.904 5.952 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.219 -0.551 5.586 1.00 0.00 H new ATOM 0 HG SER A 27 -10.886 -1.201 4.721 1.00 0.00 H new ATOM 391 N ILE A 28 -10.115 0.380 2.936 1.00 0.00 N ATOM 392 CA ILE A 28 -8.803 0.999 2.591 1.00 0.00 C ATOM 393 C ILE A 28 -8.824 1.542 1.160 1.00 0.00 C ATOM 394 O ILE A 28 -8.312 2.609 0.882 1.00 0.00 O ATOM 395 CB ILE A 28 -7.719 -0.068 2.716 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.594 -0.501 4.179 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.386 0.496 2.235 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.800 -1.805 4.259 1.00 0.00 C ATOM 0 H ILE A 28 -10.192 -0.616 2.730 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.603 1.828 3.270 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.988 -0.929 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.096 0.277 4.758 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.584 -0.638 4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.614 -0.268 2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.475 0.801 1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.115 1.359 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.711 -2.113 5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.317 -2.581 3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.806 -1.652 3.840 1.00 0.00 H new ATOM 410 N ILE A 29 -9.394 0.807 0.247 1.00 0.00 N ATOM 411 CA ILE A 29 -9.423 1.284 -1.165 1.00 0.00 C ATOM 412 C ILE A 29 -10.332 2.508 -1.281 1.00 0.00 C ATOM 413 O ILE A 29 -10.054 3.419 -2.028 1.00 0.00 O ATOM 414 CB ILE A 29 -9.929 0.164 -2.083 1.00 0.00 C ATOM 415 CG1 ILE A 29 -9.017 -1.068 -1.956 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.918 0.651 -3.535 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.742 -2.300 -2.504 1.00 0.00 C ATOM 0 H ILE A 29 -9.838 -0.096 0.414 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.414 1.562 -1.469 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.944 -0.106 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.089 -0.905 -2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.746 -1.227 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.277 -0.144 -4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.567 1.521 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.902 0.923 -3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.095 -3.173 -2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.657 -2.466 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.990 -2.139 -3.553 1.00 0.00 H new ATOM 429 N GLY A 30 -11.424 2.547 -0.567 1.00 0.00 N ATOM 430 CA GLY A 30 -12.339 3.722 -0.677 1.00 0.00 C ATOM 431 C GLY A 30 -13.361 3.443 -1.781 1.00 0.00 C ATOM 432 O GLY A 30 -13.418 2.357 -2.321 1.00 0.00 O ATOM 0 H GLY A 30 -11.722 1.821 0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.846 3.897 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.771 4.624 -0.906 1.00 0.00 H new ATOM 436 N LYS A 31 -14.179 4.406 -2.121 1.00 0.00 N ATOM 437 CA LYS A 31 -15.201 4.178 -3.190 1.00 0.00 C ATOM 438 C LYS A 31 -14.628 4.576 -4.554 1.00 0.00 C ATOM 439 O LYS A 31 -15.261 4.399 -5.576 1.00 0.00 O ATOM 440 CB LYS A 31 -16.434 5.028 -2.895 1.00 0.00 C ATOM 441 CG LYS A 31 -17.104 4.530 -1.608 1.00 0.00 C ATOM 442 CD LYS A 31 -18.366 5.355 -1.322 1.00 0.00 C ATOM 443 CE LYS A 31 -18.939 4.966 0.046 1.00 0.00 C ATOM 444 NZ LYS A 31 -18.736 3.507 0.275 1.00 0.00 N ATOM 0 H LYS A 31 -14.185 5.338 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.472 3.123 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.150 6.075 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.135 4.972 -3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.363 3.476 -1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.409 4.610 -0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.128 6.419 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.109 5.183 -2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.450 5.540 0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -20.001 5.207 0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.360 3.186 1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.961 2.984 -0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.745 3.331 0.537 1.00 0.00 H new ATOM 458 N GLY A 32 -13.440 5.115 -4.579 1.00 0.00 N ATOM 459 CA GLY A 32 -12.828 5.530 -5.877 1.00 0.00 C ATOM 460 C GLY A 32 -11.309 5.401 -5.784 1.00 0.00 C ATOM 461 O GLY A 32 -10.584 6.022 -6.536 1.00 0.00 O ATOM 0 H GLY A 32 -12.864 5.287 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.208 4.907 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.103 6.559 -6.109 1.00 0.00 H new ATOM 465 N GLY A 33 -10.811 4.618 -4.871 1.00 0.00 N ATOM 466 CA GLY A 33 -9.332 4.490 -4.752 1.00 0.00 C ATOM 467 C GLY A 33 -8.771 5.795 -4.183 1.00 0.00 C ATOM 468 O GLY A 33 -7.607 5.873 -3.843 1.00 0.00 O ATOM 0 H GLY A 33 -11.356 4.066 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.076 3.653 -4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.891 4.282 -5.727 1.00 0.00 H new ATOM 472 N GLN A 34 -9.580 6.830 -4.123 1.00 0.00 N ATOM 473 CA GLN A 34 -9.103 8.163 -3.621 1.00 0.00 C ATOM 474 C GLN A 34 -8.100 7.981 -2.471 1.00 0.00 C ATOM 475 O GLN A 34 -7.264 8.832 -2.237 1.00 0.00 O ATOM 476 CB GLN A 34 -10.318 8.945 -3.089 1.00 0.00 C ATOM 477 CG GLN A 34 -11.136 9.515 -4.257 1.00 0.00 C ATOM 478 CD GLN A 34 -12.323 10.308 -3.706 1.00 0.00 C ATOM 479 OE1 GLN A 34 -12.930 9.916 -2.730 1.00 0.00 O ATOM 480 NE2 GLN A 34 -12.682 11.414 -4.298 1.00 0.00 N ATOM 0 H GLN A 34 -10.560 6.808 -4.403 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.616 8.698 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.944 8.290 -2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.983 9.755 -2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.509 10.159 -4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.490 8.706 -4.897 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.172 11.743 -5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.473 11.950 -3.941 1.00 0.00 H new ATOM 489 N ARG A 35 -8.181 6.904 -1.736 1.00 0.00 N ATOM 490 CA ARG A 35 -7.231 6.721 -0.592 1.00 0.00 C ATOM 491 C ARG A 35 -5.936 6.076 -1.089 1.00 0.00 C ATOM 492 O ARG A 35 -4.864 6.370 -0.598 1.00 0.00 O ATOM 493 CB ARG A 35 -7.868 5.813 0.476 1.00 0.00 C ATOM 494 CG ARG A 35 -7.037 5.865 1.775 1.00 0.00 C ATOM 495 CD ARG A 35 -7.487 7.044 2.650 1.00 0.00 C ATOM 496 NE ARG A 35 -8.937 6.906 2.963 1.00 0.00 N ATOM 497 CZ ARG A 35 -9.468 7.615 3.921 1.00 0.00 C ATOM 498 NH1 ARG A 35 -8.731 8.452 4.599 1.00 0.00 N ATOM 499 NH2 ARG A 35 -10.736 7.488 4.202 1.00 0.00 N ATOM 0 H ARG A 35 -8.854 6.150 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.010 7.697 -0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.890 6.134 0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.921 4.788 0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.151 4.931 2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.979 5.966 1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.906 7.069 3.572 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.304 7.986 2.132 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.515 6.257 2.428 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.740 8.552 4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.146 9.006 5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.313 6.834 3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.150 8.043 4.951 1.00 0.00 H new ATOM 513 N ILE A 36 -6.015 5.207 -2.059 1.00 0.00 N ATOM 514 CA ILE A 36 -4.772 4.563 -2.574 1.00 0.00 C ATOM 515 C ILE A 36 -4.010 5.569 -3.459 1.00 0.00 C ATOM 516 O ILE A 36 -2.803 5.506 -3.585 1.00 0.00 O ATOM 517 CB ILE A 36 -5.142 3.273 -3.348 1.00 0.00 C ATOM 518 CG1 ILE A 36 -5.146 2.066 -2.383 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.159 3.013 -4.500 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.717 1.544 -2.143 1.00 0.00 C ATOM 0 H ILE A 36 -6.880 4.916 -2.515 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.118 4.278 -1.750 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.137 3.407 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.595 2.357 -1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.763 1.268 -2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.445 2.101 -5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.182 3.853 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.151 2.900 -4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.750 0.695 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.280 1.231 -3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.109 2.337 -1.707 1.00 0.00 H new ATOM 532 N LYS A 37 -4.704 6.496 -4.066 1.00 0.00 N ATOM 533 CA LYS A 37 -4.013 7.497 -4.928 1.00 0.00 C ATOM 534 C LYS A 37 -3.258 8.489 -4.042 1.00 0.00 C ATOM 535 O LYS A 37 -2.097 8.770 -4.264 1.00 0.00 O ATOM 536 CB LYS A 37 -5.050 8.248 -5.767 1.00 0.00 C ATOM 537 CG LYS A 37 -5.806 7.258 -6.656 1.00 0.00 C ATOM 538 CD LYS A 37 -6.833 8.013 -7.501 1.00 0.00 C ATOM 539 CE LYS A 37 -7.552 7.031 -8.428 1.00 0.00 C ATOM 540 NZ LYS A 37 -6.557 6.365 -9.315 1.00 0.00 N ATOM 0 H LYS A 37 -5.716 6.602 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.311 6.989 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.748 8.774 -5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.558 9.002 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.108 6.726 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.305 6.509 -6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.554 8.514 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.339 8.788 -8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.088 6.285 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.294 7.558 -9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.034 6.016 -10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.819 7.047 -9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.123 5.566 -8.811 1.00 0.00 H new ATOM 554 N GLN A 38 -3.899 9.028 -3.043 1.00 0.00 N ATOM 555 CA GLN A 38 -3.198 10.002 -2.162 1.00 0.00 C ATOM 556 C GLN A 38 -1.962 9.339 -1.545 1.00 0.00 C ATOM 557 O GLN A 38 -0.859 9.831 -1.669 1.00 0.00 O ATOM 558 CB GLN A 38 -4.146 10.474 -1.055 1.00 0.00 C ATOM 559 CG GLN A 38 -3.404 11.435 -0.123 1.00 0.00 C ATOM 560 CD GLN A 38 -4.403 12.110 0.817 1.00 0.00 C ATOM 561 OE1 GLN A 38 -4.251 13.266 1.159 1.00 0.00 O ATOM 562 NE2 GLN A 38 -5.429 11.431 1.254 1.00 0.00 N ATOM 0 H GLN A 38 -4.871 8.838 -2.800 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.885 10.863 -2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.013 10.970 -1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.518 9.619 -0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.655 10.893 0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.873 12.187 -0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.558 10.461 0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.102 11.871 1.882 1.00 0.00 H new ATOM 571 N ILE A 39 -2.132 8.226 -0.884 1.00 0.00 N ATOM 572 CA ILE A 39 -0.963 7.537 -0.265 1.00 0.00 C ATOM 573 C ILE A 39 0.151 7.379 -1.303 1.00 0.00 C ATOM 574 O ILE A 39 1.322 7.401 -0.982 1.00 0.00 O ATOM 575 CB ILE A 39 -1.395 6.157 0.233 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.444 6.318 1.335 1.00 0.00 C ATOM 577 CG2 ILE A 39 -0.183 5.408 0.791 1.00 0.00 C ATOM 578 CD1 ILE A 39 -3.087 4.963 1.631 1.00 0.00 C ATOM 0 H ILE A 39 -3.031 7.764 -0.746 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.594 8.130 0.572 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.820 5.591 -0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.980 6.717 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.206 7.034 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.494 4.425 1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.565 5.291 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.244 5.973 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.834 5.079 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.565 4.582 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.321 4.261 1.960 1.00 0.00 H new ATOM 590 N ARG A 40 -0.207 7.212 -2.547 1.00 0.00 N ATOM 591 CA ARG A 40 0.825 7.042 -3.610 1.00 0.00 C ATOM 592 C ARG A 40 1.691 8.303 -3.708 1.00 0.00 C ATOM 593 O ARG A 40 2.881 8.232 -3.937 1.00 0.00 O ATOM 594 CB ARG A 40 0.126 6.796 -4.953 1.00 0.00 C ATOM 595 CG ARG A 40 1.123 6.231 -5.971 1.00 0.00 C ATOM 596 CD ARG A 40 0.367 5.728 -7.205 1.00 0.00 C ATOM 597 NE ARG A 40 -0.340 4.458 -6.872 1.00 0.00 N ATOM 598 CZ ARG A 40 -1.276 4.007 -7.661 1.00 0.00 C ATOM 599 NH1 ARG A 40 -1.595 4.668 -8.740 1.00 0.00 N ATOM 600 NH2 ARG A 40 -1.894 2.894 -7.371 1.00 0.00 N ATOM 0 H ARG A 40 -1.173 7.186 -2.874 1.00 0.00 H new ATOM 0 HA ARG A 40 1.462 6.193 -3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.702 6.100 -4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.298 7.728 -5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.839 7.000 -6.259 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.693 5.416 -5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.350 6.479 -7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.062 5.565 -8.029 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.092 3.942 -6.028 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.112 5.538 -8.967 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.327 4.315 -9.357 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.645 2.377 -6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.626 2.541 -7.988 1.00 0.00 H new ATOM 614 N HIS A 41 1.101 9.458 -3.553 1.00 0.00 N ATOM 615 CA HIS A 41 1.890 10.723 -3.657 1.00 0.00 C ATOM 616 C HIS A 41 2.570 11.044 -2.320 1.00 0.00 C ATOM 617 O HIS A 41 3.697 11.496 -2.286 1.00 0.00 O ATOM 618 CB HIS A 41 0.954 11.873 -4.038 1.00 0.00 C ATOM 619 CG HIS A 41 0.166 11.493 -5.262 1.00 0.00 C ATOM 620 ND1 HIS A 41 0.697 10.699 -6.266 1.00 0.00 N ATOM 621 CD2 HIS A 41 -1.114 11.792 -5.658 1.00 0.00 C ATOM 622 CE1 HIS A 41 -0.252 10.549 -7.209 1.00 0.00 C ATOM 623 NE2 HIS A 41 -1.376 11.195 -6.888 1.00 0.00 N ATOM 0 H HIS A 41 0.107 9.582 -3.359 1.00 0.00 H new ATOM 0 HA HIS A 41 2.658 10.597 -4.421 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.279 12.095 -3.212 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.531 12.778 -4.230 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -1.812 12.398 -5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.120 9.976 -8.115 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -2.240 11.241 -7.428 1.00 0.00 H new ATOM 631 N GLU A 42 1.899 10.828 -1.221 1.00 0.00 N ATOM 632 CA GLU A 42 2.518 11.139 0.100 1.00 0.00 C ATOM 633 C GLU A 42 3.718 10.225 0.353 1.00 0.00 C ATOM 634 O GLU A 42 4.737 10.648 0.862 1.00 0.00 O ATOM 635 CB GLU A 42 1.491 10.933 1.215 1.00 0.00 C ATOM 636 CG GLU A 42 0.228 11.732 0.901 1.00 0.00 C ATOM 637 CD GLU A 42 -0.657 11.799 2.147 1.00 0.00 C ATOM 638 OE1 GLU A 42 -1.210 10.774 2.512 1.00 0.00 O ATOM 639 OE2 GLU A 42 -0.769 12.874 2.714 1.00 0.00 O ATOM 0 H GLU A 42 0.952 10.451 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 42 2.851 12.177 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.250 9.874 1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.907 11.252 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.493 12.738 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.316 11.265 0.080 1.00 0.00 H new ATOM 646 N SER A 43 3.598 8.968 0.026 1.00 0.00 N ATOM 647 CA SER A 43 4.721 8.017 0.277 1.00 0.00 C ATOM 648 C SER A 43 5.702 8.015 -0.899 1.00 0.00 C ATOM 649 O SER A 43 6.855 7.662 -0.751 1.00 0.00 O ATOM 650 CB SER A 43 4.148 6.614 0.476 1.00 0.00 C ATOM 651 OG SER A 43 4.088 5.950 -0.779 1.00 0.00 O ATOM 0 H SER A 43 2.770 8.556 -0.405 1.00 0.00 H new ATOM 0 HA SER A 43 5.261 8.330 1.171 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.771 6.049 1.170 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.153 6.674 0.917 1.00 0.00 H new ATOM 0 HG SER A 43 3.239 6.162 -1.221 1.00 0.00 H new ATOM 657 N GLY A 44 5.258 8.382 -2.068 1.00 0.00 N ATOM 658 CA GLY A 44 6.180 8.366 -3.241 1.00 0.00 C ATOM 659 C GLY A 44 6.348 6.917 -3.691 1.00 0.00 C ATOM 660 O GLY A 44 7.074 6.614 -4.617 1.00 0.00 O ATOM 0 H GLY A 44 4.305 8.690 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.775 8.972 -4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.145 8.796 -2.973 1.00 0.00 H new ATOM 664 N ALA A 45 5.675 6.021 -3.025 1.00 0.00 N ATOM 665 CA ALA A 45 5.769 4.578 -3.373 1.00 0.00 C ATOM 666 C ALA A 45 4.804 4.250 -4.509 1.00 0.00 C ATOM 667 O ALA A 45 3.840 4.951 -4.750 1.00 0.00 O ATOM 668 CB ALA A 45 5.395 3.743 -2.146 1.00 0.00 C ATOM 0 H ALA A 45 5.055 6.232 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 45 6.787 4.351 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.461 2.683 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.081 3.969 -1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.376 3.981 -1.841 1.00 0.00 H new ATOM 674 N SER A 46 5.039 3.148 -5.169 1.00 0.00 N ATOM 675 CA SER A 46 4.130 2.693 -6.261 1.00 0.00 C ATOM 676 C SER A 46 3.382 1.475 -5.722 1.00 0.00 C ATOM 677 O SER A 46 3.960 0.656 -5.036 1.00 0.00 O ATOM 678 CB SER A 46 4.952 2.292 -7.487 1.00 0.00 C ATOM 679 OG SER A 46 4.081 1.796 -8.495 1.00 0.00 O ATOM 0 H SER A 46 5.835 2.534 -4.995 1.00 0.00 H new ATOM 0 HA SER A 46 3.441 3.484 -6.558 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.509 3.150 -7.862 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.684 1.531 -7.216 1.00 0.00 H new ATOM 0 HG SER A 46 4.605 1.540 -9.283 1.00 0.00 H new ATOM 685 N ILE A 47 2.107 1.345 -5.991 1.00 0.00 N ATOM 686 CA ILE A 47 1.336 0.179 -5.458 1.00 0.00 C ATOM 687 C ILE A 47 0.426 -0.386 -6.546 1.00 0.00 C ATOM 688 O ILE A 47 -0.221 0.346 -7.268 1.00 0.00 O ATOM 689 CB ILE A 47 0.479 0.642 -4.268 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.395 1.046 -3.107 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.445 -0.495 -3.810 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.570 1.727 -2.013 1.00 0.00 C ATOM 0 H ILE A 47 1.565 1.997 -6.558 1.00 0.00 H new ATOM 0 HA ILE A 47 2.032 -0.596 -5.136 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.126 1.494 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.896 0.166 -2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.173 1.721 -3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.048 -0.157 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.100 -0.785 -4.631 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.156 -1.352 -3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.224 2.013 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.089 2.616 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.192 1.037 -1.649 1.00 0.00 H new ATOM 704 N LYS A 48 0.371 -1.686 -6.664 1.00 0.00 N ATOM 705 CA LYS A 48 -0.491 -2.342 -7.691 1.00 0.00 C ATOM 706 C LYS A 48 -1.455 -3.278 -6.970 1.00 0.00 C ATOM 707 O LYS A 48 -1.047 -4.086 -6.160 1.00 0.00 O ATOM 708 CB LYS A 48 0.398 -3.159 -8.634 1.00 0.00 C ATOM 709 CG LYS A 48 -0.438 -3.696 -9.800 1.00 0.00 C ATOM 710 CD LYS A 48 0.440 -4.559 -10.726 1.00 0.00 C ATOM 711 CE LYS A 48 0.524 -5.995 -10.191 1.00 0.00 C ATOM 712 NZ LYS A 48 1.279 -6.839 -11.159 1.00 0.00 N ATOM 0 H LYS A 48 0.898 -2.334 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.044 -1.598 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.210 -2.538 -9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.856 -3.986 -8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.270 -4.288 -9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.868 -2.867 -10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.024 -4.562 -11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.440 -4.130 -10.795 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.019 -6.005 -9.220 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.477 -6.399 -10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.337 -7.813 -10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.789 -6.838 -12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.239 -6.456 -11.279 1.00 0.00 H new ATOM 726 N ILE A 49 -2.729 -3.181 -7.237 1.00 0.00 N ATOM 727 CA ILE A 49 -3.721 -4.063 -6.554 1.00 0.00 C ATOM 728 C ILE A 49 -4.073 -5.223 -7.485 1.00 0.00 C ATOM 729 O ILE A 49 -4.302 -5.035 -8.663 1.00 0.00 O ATOM 730 CB ILE A 49 -4.970 -3.235 -6.237 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.564 -2.038 -5.369 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.987 -4.091 -5.481 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.736 -1.066 -5.243 1.00 0.00 C ATOM 0 H ILE A 49 -3.130 -2.523 -7.905 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.310 -4.464 -5.628 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.422 -2.887 -7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.257 -2.381 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.706 -1.531 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.872 -3.494 -5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.270 -4.946 -6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.545 -4.443 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.441 -0.218 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.023 -0.711 -6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.582 -1.574 -4.781 1.00 0.00 H new ATOM 745 N ASP A 50 -4.123 -6.424 -6.971 1.00 0.00 N ATOM 746 CA ASP A 50 -4.465 -7.601 -7.825 1.00 0.00 C ATOM 747 C ASP A 50 -5.956 -7.897 -7.673 1.00 0.00 C ATOM 748 O ASP A 50 -6.527 -7.686 -6.621 1.00 0.00 O ATOM 749 CB ASP A 50 -3.660 -8.814 -7.354 1.00 0.00 C ATOM 750 CG ASP A 50 -3.874 -9.977 -8.324 1.00 0.00 C ATOM 751 OD1 ASP A 50 -4.890 -10.643 -8.203 1.00 0.00 O ATOM 752 OD2 ASP A 50 -3.020 -10.182 -9.170 1.00 0.00 O ATOM 0 H ASP A 50 -3.941 -6.642 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.230 -7.389 -8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.601 -8.562 -7.300 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.971 -9.102 -6.350 1.00 0.00 H new ATOM 757 N GLU A 51 -6.593 -8.400 -8.692 1.00 0.00 N ATOM 758 CA GLU A 51 -8.030 -8.721 -8.579 1.00 0.00 C ATOM 759 C GLU A 51 -8.205 -9.863 -7.559 1.00 0.00 C ATOM 760 O GLU A 51 -7.333 -10.699 -7.429 1.00 0.00 O ATOM 761 CB GLU A 51 -8.521 -9.168 -9.961 1.00 0.00 C ATOM 762 CG GLU A 51 -7.989 -10.569 -10.294 1.00 0.00 C ATOM 763 CD GLU A 51 -8.162 -10.841 -11.789 1.00 0.00 C ATOM 764 OE1 GLU A 51 -7.557 -10.129 -12.574 1.00 0.00 O ATOM 765 OE2 GLU A 51 -8.896 -11.755 -12.126 1.00 0.00 O ATOM 0 H GLU A 51 -6.173 -8.601 -9.600 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.602 -7.856 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.611 -9.172 -9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.190 -8.457 -10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.937 -10.644 -10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.524 -11.320 -9.713 1.00 0.00 H new ATOM 772 N PRO A 52 -9.307 -9.926 -6.843 1.00 0.00 N ATOM 773 CA PRO A 52 -9.502 -11.028 -5.859 1.00 0.00 C ATOM 774 C PRO A 52 -9.525 -12.401 -6.549 1.00 0.00 C ATOM 775 O PRO A 52 -10.041 -12.548 -7.639 1.00 0.00 O ATOM 776 CB PRO A 52 -10.869 -10.680 -5.234 1.00 0.00 C ATOM 777 CG PRO A 52 -11.513 -9.566 -6.081 1.00 0.00 C ATOM 778 CD PRO A 52 -10.415 -8.934 -6.951 1.00 0.00 C ATOM 0 HA PRO A 52 -8.699 -11.103 -5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.512 -11.560 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.743 -10.350 -4.203 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.307 -9.974 -6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.969 -8.814 -5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.741 -8.801 -7.982 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.119 -7.953 -6.581 1.00 0.00 H new ATOM 786 N LEU A 53 -8.970 -13.404 -5.926 1.00 0.00 N ATOM 787 CA LEU A 53 -8.964 -14.756 -6.554 1.00 0.00 C ATOM 788 C LEU A 53 -10.347 -15.392 -6.410 1.00 0.00 C ATOM 789 O LEU A 53 -10.944 -15.375 -5.352 1.00 0.00 O ATOM 790 CB LEU A 53 -7.925 -15.644 -5.864 1.00 0.00 C ATOM 791 CG LEU A 53 -6.592 -14.901 -5.758 1.00 0.00 C ATOM 792 CD1 LEU A 53 -5.591 -15.765 -4.986 1.00 0.00 C ATOM 793 CD2 LEU A 53 -6.044 -14.612 -7.162 1.00 0.00 C ATOM 0 H LEU A 53 -8.521 -13.347 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.713 -14.659 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.275 -15.924 -4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.792 -16.568 -6.427 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.745 -13.958 -5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.640 -15.239 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.978 -15.965 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.442 -16.708 -5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.095 -14.083 -7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.891 -15.551 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.756 -13.996 -7.711 1.00 0.00 H new ATOM 805 N GLU A 54 -10.860 -15.952 -7.470 1.00 0.00 N ATOM 806 CA GLU A 54 -12.199 -16.590 -7.406 1.00 0.00 C ATOM 807 C GLU A 54 -12.192 -17.688 -6.342 1.00 0.00 C ATOM 808 O GLU A 54 -11.275 -18.482 -6.259 1.00 0.00 O ATOM 809 CB GLU A 54 -12.530 -17.201 -8.769 1.00 0.00 C ATOM 810 CG GLU A 54 -14.020 -17.533 -8.829 1.00 0.00 C ATOM 811 CD GLU A 54 -14.374 -18.057 -10.222 1.00 0.00 C ATOM 812 OE1 GLU A 54 -14.045 -17.386 -11.187 1.00 0.00 O ATOM 813 OE2 GLU A 54 -14.966 -19.120 -10.301 1.00 0.00 O ATOM 0 H GLU A 54 -10.405 -15.994 -8.382 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.949 -15.843 -7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.269 -16.504 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.939 -18.103 -8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.267 -18.280 -8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.610 -16.645 -8.603 1.00 0.00 H new ATOM 820 N GLY A 55 -13.206 -17.735 -5.527 1.00 0.00 N ATOM 821 CA GLY A 55 -13.269 -18.778 -4.460 1.00 0.00 C ATOM 822 C GLY A 55 -12.519 -18.283 -3.224 1.00 0.00 C ATOM 823 O GLY A 55 -11.827 -19.032 -2.563 1.00 0.00 O ATOM 0 H GLY A 55 -13.999 -17.094 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.307 -18.994 -4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.828 -19.708 -4.818 1.00 0.00 H new ATOM 827 N SER A 56 -12.651 -17.025 -2.906 1.00 0.00 N ATOM 828 CA SER A 56 -11.945 -16.475 -1.716 1.00 0.00 C ATOM 829 C SER A 56 -12.631 -15.175 -1.278 1.00 0.00 C ATOM 830 O SER A 56 -13.534 -14.692 -1.933 1.00 0.00 O ATOM 831 CB SER A 56 -10.482 -16.199 -2.084 1.00 0.00 C ATOM 832 OG SER A 56 -10.010 -17.241 -2.928 1.00 0.00 O ATOM 0 H SER A 56 -13.219 -16.353 -3.421 1.00 0.00 H new ATOM 0 HA SER A 56 -11.980 -17.192 -0.895 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.397 -15.237 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.872 -16.140 -1.182 1.00 0.00 H new ATOM 0 HG SER A 56 -10.376 -18.098 -2.626 1.00 0.00 H new ATOM 838 N GLU A 57 -12.207 -14.601 -0.179 1.00 0.00 N ATOM 839 CA GLU A 57 -12.823 -13.327 0.305 1.00 0.00 C ATOM 840 C GLU A 57 -11.714 -12.393 0.795 1.00 0.00 C ATOM 841 O GLU A 57 -11.813 -11.778 1.838 1.00 0.00 O ATOM 842 CB GLU A 57 -13.807 -13.615 1.449 1.00 0.00 C ATOM 843 CG GLU A 57 -13.129 -14.443 2.547 1.00 0.00 C ATOM 844 CD GLU A 57 -13.991 -14.413 3.810 1.00 0.00 C ATOM 845 OE1 GLU A 57 -15.083 -14.956 3.770 1.00 0.00 O ATOM 846 OE2 GLU A 57 -13.545 -13.850 4.796 1.00 0.00 O ATOM 0 H GLU A 57 -11.455 -14.963 0.407 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.369 -12.854 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.173 -12.677 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -14.674 -14.152 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.992 -15.471 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.138 -14.043 2.760 1.00 0.00 H new ATOM 853 N ASP A 58 -10.649 -12.300 0.044 1.00 0.00 N ATOM 854 CA ASP A 58 -9.507 -11.421 0.444 1.00 0.00 C ATOM 855 C ASP A 58 -8.940 -10.713 -0.789 1.00 0.00 C ATOM 856 O ASP A 58 -9.029 -11.191 -1.901 1.00 0.00 O ATOM 857 CB ASP A 58 -8.413 -12.275 1.087 1.00 0.00 C ATOM 858 CG ASP A 58 -8.972 -12.965 2.333 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.622 -13.987 2.179 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.742 -12.461 3.419 1.00 0.00 O ATOM 0 H ASP A 58 -10.519 -12.798 -0.836 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.859 -10.675 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.053 -13.019 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.560 -11.651 1.355 1.00 0.00 H new ATOM 865 N ARG A 59 -8.331 -9.575 -0.573 1.00 0.00 N ATOM 866 CA ARG A 59 -7.707 -8.795 -1.686 1.00 0.00 C ATOM 867 C ARG A 59 -6.211 -8.683 -1.400 1.00 0.00 C ATOM 868 O ARG A 59 -5.803 -8.522 -0.268 1.00 0.00 O ATOM 869 CB ARG A 59 -8.327 -7.392 -1.745 1.00 0.00 C ATOM 870 CG ARG A 59 -9.775 -7.475 -2.292 1.00 0.00 C ATOM 871 CD ARG A 59 -10.193 -6.154 -2.958 1.00 0.00 C ATOM 872 NE ARG A 59 -11.661 -6.182 -3.212 1.00 0.00 N ATOM 873 CZ ARG A 59 -12.296 -5.078 -3.497 1.00 0.00 C ATOM 874 NH1 ARG A 59 -11.645 -3.950 -3.562 1.00 0.00 N ATOM 875 NH2 ARG A 59 -13.582 -5.102 -3.719 1.00 0.00 N ATOM 0 H ARG A 59 -8.238 -9.145 0.347 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.876 -9.293 -2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.330 -6.945 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.725 -6.746 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.848 -8.289 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.461 -7.708 -1.478 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.938 -5.311 -2.315 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.652 -6.016 -3.894 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.170 -7.065 -3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.640 -3.931 -3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.141 -3.087 -3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.092 -5.984 -3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.077 -4.239 -3.942 1.00 0.00 H new ATOM 889 N ILE A 60 -5.386 -8.802 -2.411 1.00 0.00 N ATOM 890 CA ILE A 60 -3.903 -8.737 -2.191 1.00 0.00 C ATOM 891 C ILE A 60 -3.320 -7.458 -2.802 1.00 0.00 C ATOM 892 O ILE A 60 -3.738 -7.009 -3.851 1.00 0.00 O ATOM 893 CB ILE A 60 -3.269 -9.972 -2.825 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.677 -11.193 -1.996 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.744 -9.839 -2.817 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.326 -12.466 -2.748 1.00 0.00 C ATOM 0 H ILE A 60 -5.673 -8.941 -3.380 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.689 -8.717 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.606 -10.078 -3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.168 -11.177 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.747 -11.164 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.299 -10.724 -3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.453 -8.955 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.393 -9.743 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.618 -13.332 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.856 -12.484 -3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.252 -12.497 -2.930 1.00 0.00 H new ATOM 908 N ILE A 61 -2.360 -6.870 -2.133 1.00 0.00 N ATOM 909 CA ILE A 61 -1.733 -5.608 -2.641 1.00 0.00 C ATOM 910 C ILE A 61 -0.217 -5.773 -2.750 1.00 0.00 C ATOM 911 O ILE A 61 0.405 -6.421 -1.931 1.00 0.00 O ATOM 912 CB ILE A 61 -2.042 -4.472 -1.665 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.553 -4.227 -1.658 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.309 -3.200 -2.113 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.906 -3.204 -0.582 1.00 0.00 C ATOM 0 H ILE A 61 -1.980 -7.212 -1.250 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.137 -5.382 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.709 -4.738 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.877 -3.867 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.081 -5.162 -1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.529 -2.390 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.235 -3.385 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.642 -2.921 -3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.983 -3.033 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.598 -3.581 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.390 -2.266 -0.788 1.00 0.00 H new ATOM 927 N THR A 62 0.379 -5.188 -3.762 1.00 0.00 N ATOM 928 CA THR A 62 1.862 -5.297 -3.952 1.00 0.00 C ATOM 929 C THR A 62 2.491 -3.904 -3.864 1.00 0.00 C ATOM 930 O THR A 62 2.136 -3.004 -4.598 1.00 0.00 O ATOM 931 CB THR A 62 2.151 -5.905 -5.330 1.00 0.00 C ATOM 932 OG1 THR A 62 1.472 -7.148 -5.445 1.00 0.00 O ATOM 933 CG2 THR A 62 3.655 -6.129 -5.486 1.00 0.00 C ATOM 0 H THR A 62 -0.102 -4.635 -4.471 1.00 0.00 H new ATOM 0 HA THR A 62 2.286 -5.934 -3.176 1.00 0.00 H new ATOM 0 HB THR A 62 1.805 -5.225 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.653 -7.539 -6.325 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.859 -6.561 -6.466 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.176 -5.176 -5.394 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.004 -6.810 -4.710 1.00 0.00 H new ATOM 941 N ILE A 63 3.426 -3.720 -2.961 1.00 0.00 N ATOM 942 CA ILE A 63 4.090 -2.390 -2.800 1.00 0.00 C ATOM 943 C ILE A 63 5.476 -2.432 -3.449 1.00 0.00 C ATOM 944 O ILE A 63 6.228 -3.358 -3.219 1.00 0.00 O ATOM 945 CB ILE A 63 4.261 -2.104 -1.307 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.925 -2.344 -0.595 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.702 -0.648 -1.114 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.025 -1.891 0.862 1.00 0.00 C ATOM 0 H ILE A 63 3.759 -4.443 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 63 3.483 -1.617 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 63 5.019 -2.764 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.129 -1.797 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.664 -3.401 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.824 -0.443 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.650 -0.484 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.946 0.019 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.073 -2.064 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.808 -2.457 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.266 -0.828 0.897 1.00 0.00 H new ATOM 960 N THR A 64 5.836 -1.448 -4.238 1.00 0.00 N ATOM 961 CA THR A 64 7.202 -1.455 -4.872 1.00 0.00 C ATOM 962 C THR A 64 7.871 -0.100 -4.641 1.00 0.00 C ATOM 963 O THR A 64 7.285 0.937 -4.878 1.00 0.00 O ATOM 964 CB THR A 64 7.071 -1.713 -6.376 1.00 0.00 C ATOM 965 OG1 THR A 64 6.185 -2.804 -6.593 1.00 0.00 O ATOM 966 CG2 THR A 64 8.445 -2.046 -6.960 1.00 0.00 C ATOM 0 H THR A 64 5.252 -0.645 -4.472 1.00 0.00 H new ATOM 0 HA THR A 64 7.807 -2.243 -4.425 1.00 0.00 H new ATOM 0 HB THR A 64 6.677 -0.822 -6.865 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.099 -2.969 -7.555 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.351 -2.229 -8.030 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.124 -1.209 -6.794 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.841 -2.937 -6.473 1.00 0.00 H new ATOM 974 N GLY A 65 9.091 -0.093 -4.167 1.00 0.00 N ATOM 975 CA GLY A 65 9.800 1.189 -3.904 1.00 0.00 C ATOM 976 C GLY A 65 10.985 0.917 -2.968 1.00 0.00 C ATOM 977 O GLY A 65 11.296 -0.218 -2.667 1.00 0.00 O ATOM 0 H GLY A 65 9.629 -0.932 -3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.151 1.625 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.120 1.910 -3.451 1.00 0.00 H new ATOM 981 N THR A 66 11.646 1.941 -2.503 1.00 0.00 N ATOM 982 CA THR A 66 12.805 1.724 -1.586 1.00 0.00 C ATOM 983 C THR A 66 12.299 1.278 -0.209 1.00 0.00 C ATOM 984 O THR A 66 11.153 1.474 0.144 1.00 0.00 O ATOM 985 CB THR A 66 13.614 3.015 -1.453 1.00 0.00 C ATOM 986 OG1 THR A 66 12.730 4.106 -1.237 1.00 0.00 O ATOM 987 CG2 THR A 66 14.413 3.247 -2.735 1.00 0.00 C ATOM 0 H THR A 66 11.436 2.916 -2.716 1.00 0.00 H new ATOM 0 HA THR A 66 13.447 0.946 -1.999 1.00 0.00 H new ATOM 0 HB THR A 66 14.299 2.933 -0.609 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.247 4.934 -1.150 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.990 4.167 -2.642 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.090 2.408 -2.899 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.729 3.331 -3.580 1.00 0.00 H new ATOM 995 N GLN A 67 13.161 0.662 0.560 1.00 0.00 N ATOM 996 CA GLN A 67 12.770 0.171 1.916 1.00 0.00 C ATOM 997 C GLN A 67 12.002 1.262 2.670 1.00 0.00 C ATOM 998 O GLN A 67 10.973 1.012 3.265 1.00 0.00 O ATOM 999 CB GLN A 67 14.048 -0.208 2.700 1.00 0.00 C ATOM 1000 CG GLN A 67 13.790 -1.437 3.583 1.00 0.00 C ATOM 1001 CD GLN A 67 12.585 -1.173 4.487 1.00 0.00 C ATOM 1002 OE1 GLN A 67 12.419 0.014 5.001 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 11.787 -2.057 4.730 1.00 0.00 N flip ATOM 0 H GLN A 67 14.130 0.476 0.303 1.00 0.00 H new ATOM 0 HA GLN A 67 12.126 -0.702 1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.861 -0.417 2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.365 0.632 3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.606 -2.313 2.961 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.671 -1.655 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.916 -2.986 4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.988 -1.870 5.336 1.00 0.00 H new ATOM 1012 N ASP A 68 12.502 2.465 2.661 1.00 0.00 N ATOM 1013 CA ASP A 68 11.809 3.561 3.389 1.00 0.00 C ATOM 1014 C ASP A 68 10.486 3.886 2.700 1.00 0.00 C ATOM 1015 O ASP A 68 9.468 4.037 3.346 1.00 0.00 O ATOM 1016 CB ASP A 68 12.697 4.806 3.413 1.00 0.00 C ATOM 1017 CG ASP A 68 14.044 4.462 4.049 1.00 0.00 C ATOM 1018 OD1 ASP A 68 14.146 4.558 5.261 1.00 0.00 O ATOM 1019 OD2 ASP A 68 14.952 4.109 3.314 1.00 0.00 O ATOM 0 H ASP A 68 13.360 2.736 2.181 1.00 0.00 H new ATOM 0 HA ASP A 68 11.610 3.241 4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.846 5.178 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.210 5.602 3.976 1.00 0.00 H new ATOM 1024 N GLN A 69 10.478 4.006 1.402 1.00 0.00 N ATOM 1025 CA GLN A 69 9.203 4.333 0.708 1.00 0.00 C ATOM 1026 C GLN A 69 8.167 3.251 1.021 1.00 0.00 C ATOM 1027 O GLN A 69 6.994 3.523 1.191 1.00 0.00 O ATOM 1028 CB GLN A 69 9.438 4.395 -0.802 1.00 0.00 C ATOM 1029 CG GLN A 69 10.245 5.648 -1.144 1.00 0.00 C ATOM 1030 CD GLN A 69 10.682 5.589 -2.609 1.00 0.00 C ATOM 1031 OE1 GLN A 69 10.147 4.821 -3.384 1.00 0.00 O ATOM 1032 NE2 GLN A 69 11.639 6.372 -3.024 1.00 0.00 N ATOM 0 H GLN A 69 11.291 3.893 0.797 1.00 0.00 H new ATOM 0 HA GLN A 69 8.839 5.301 1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.972 3.504 -1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.484 4.410 -1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.644 6.540 -0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.118 5.719 -0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.088 7.017 -2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.938 6.340 -3.999 1.00 0.00 H new ATOM 1041 N ILE A 70 8.601 2.019 1.101 1.00 0.00 N ATOM 1042 CA ILE A 70 7.665 0.899 1.406 1.00 0.00 C ATOM 1043 C ILE A 70 7.203 0.978 2.864 1.00 0.00 C ATOM 1044 O ILE A 70 6.031 0.842 3.152 1.00 0.00 O ATOM 1045 CB ILE A 70 8.383 -0.441 1.174 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.606 -0.644 -0.329 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.531 -1.594 1.720 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.528 -1.846 -0.556 1.00 0.00 C ATOM 0 H ILE A 70 9.573 1.740 0.967 1.00 0.00 H new ATOM 0 HA ILE A 70 6.796 0.974 0.752 1.00 0.00 H new ATOM 0 HB ILE A 70 9.342 -0.427 1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.651 -0.806 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.047 0.252 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.047 -2.539 1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.371 -1.454 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.569 -1.610 1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.685 -1.988 -1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.487 -1.666 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.070 -2.741 -0.135 1.00 0.00 H new ATOM 1060 N GLN A 71 8.098 1.200 3.791 1.00 0.00 N ATOM 1061 CA GLN A 71 7.695 1.291 5.222 1.00 0.00 C ATOM 1062 C GLN A 71 6.708 2.444 5.398 1.00 0.00 C ATOM 1063 O GLN A 71 5.713 2.322 6.085 1.00 0.00 O ATOM 1064 CB GLN A 71 8.938 1.552 6.077 1.00 0.00 C ATOM 1065 CG GLN A 71 8.558 1.522 7.559 1.00 0.00 C ATOM 1066 CD GLN A 71 9.823 1.639 8.411 1.00 0.00 C ATOM 1067 OE1 GLN A 71 10.879 2.221 7.913 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 9.850 1.196 9.542 1.00 0.00 N flip ATOM 0 H GLN A 71 9.095 1.323 3.615 1.00 0.00 H new ATOM 0 HA GLN A 71 7.224 0.358 5.532 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.698 0.798 5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.371 2.519 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.876 2.341 7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.034 0.595 7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.024 0.741 9.931 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.698 1.279 10.102 1.00 0.00 H new ATOM 1077 N ASN A 72 6.971 3.564 4.778 1.00 0.00 N ATOM 1078 CA ASN A 72 6.043 4.720 4.909 1.00 0.00 C ATOM 1079 C ASN A 72 4.688 4.327 4.326 1.00 0.00 C ATOM 1080 O ASN A 72 3.648 4.743 4.801 1.00 0.00 O ATOM 1081 CB ASN A 72 6.608 5.918 4.142 1.00 0.00 C ATOM 1082 CG ASN A 72 7.916 6.372 4.794 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.563 5.606 5.481 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.335 7.593 4.606 1.00 0.00 N ATOM 0 H ASN A 72 7.787 3.726 4.188 1.00 0.00 H new ATOM 0 HA ASN A 72 5.929 4.992 5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.783 5.647 3.101 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.887 6.735 4.141 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.206 7.905 5.036 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.792 8.236 4.029 1.00 0.00 H new ATOM 1091 N ALA A 73 4.694 3.528 3.297 1.00 0.00 N ATOM 1092 CA ALA A 73 3.414 3.101 2.671 1.00 0.00 C ATOM 1093 C ALA A 73 2.746 2.039 3.546 1.00 0.00 C ATOM 1094 O ALA A 73 1.561 2.093 3.808 1.00 0.00 O ATOM 1095 CB ALA A 73 3.702 2.518 1.286 1.00 0.00 C ATOM 0 H ALA A 73 5.535 3.151 2.861 1.00 0.00 H new ATOM 0 HA ALA A 73 2.748 3.959 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.767 2.203 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.178 3.276 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.366 1.659 1.384 1.00 0.00 H new ATOM 1101 N GLN A 74 3.497 1.069 3.996 1.00 0.00 N ATOM 1102 CA GLN A 74 2.913 -0.004 4.847 1.00 0.00 C ATOM 1103 C GLN A 74 2.311 0.600 6.117 1.00 0.00 C ATOM 1104 O GLN A 74 1.288 0.155 6.599 1.00 0.00 O ATOM 1105 CB GLN A 74 4.009 -0.998 5.234 1.00 0.00 C ATOM 1106 CG GLN A 74 4.392 -1.838 4.014 1.00 0.00 C ATOM 1107 CD GLN A 74 5.457 -2.862 4.411 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.180 -3.362 3.572 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.585 -3.200 5.666 1.00 0.00 N ATOM 0 H GLN A 74 4.495 0.975 3.809 1.00 0.00 H new ATOM 0 HA GLN A 74 2.129 -0.514 4.287 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.882 -0.464 5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.660 -1.645 6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.513 -2.347 3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.770 -1.194 3.220 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.979 -2.781 6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.291 -3.883 5.941 1.00 0.00 H new ATOM 1118 N TYR A 75 2.932 1.605 6.671 1.00 0.00 N ATOM 1119 CA TYR A 75 2.384 2.214 7.914 1.00 0.00 C ATOM 1120 C TYR A 75 1.101 2.981 7.587 1.00 0.00 C ATOM 1121 O TYR A 75 0.172 3.010 8.370 1.00 0.00 O ATOM 1122 CB TYR A 75 3.416 3.160 8.531 1.00 0.00 C ATOM 1123 CG TYR A 75 2.903 3.674 9.855 1.00 0.00 C ATOM 1124 CD1 TYR A 75 2.121 4.835 9.900 1.00 0.00 C ATOM 1125 CD2 TYR A 75 3.210 2.991 11.039 1.00 0.00 C ATOM 1126 CE1 TYR A 75 1.647 5.312 11.128 1.00 0.00 C ATOM 1127 CE2 TYR A 75 2.735 3.469 12.266 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.954 4.630 12.311 1.00 0.00 C ATOM 1129 OH TYR A 75 1.486 5.100 13.520 1.00 0.00 O ATOM 0 H TYR A 75 3.790 2.028 6.319 1.00 0.00 H new ATOM 0 HA TYR A 75 2.157 1.425 8.631 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.363 2.639 8.674 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.610 3.994 7.856 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.884 5.362 8.988 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.813 2.096 11.005 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.044 6.207 11.162 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.971 2.942 13.179 1.00 0.00 H new ATOM 0 HH TYR A 75 1.789 4.509 14.240 1.00 0.00 H new ATOM 1139 N LEU A 76 1.029 3.600 6.439 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.212 4.349 6.088 1.00 0.00 C ATOM 1141 C LEU A 76 -1.318 3.346 5.754 1.00 0.00 C ATOM 1142 O LEU A 76 -2.488 3.670 5.780 1.00 0.00 O ATOM 1143 CB LEU A 76 0.043 5.272 4.891 1.00 0.00 C ATOM 1144 CG LEU A 76 1.058 6.370 5.266 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.709 6.925 3.997 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.351 7.516 6.001 1.00 0.00 C ATOM 0 H LEU A 76 1.767 3.620 5.736 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.517 4.965 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.420 4.691 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.893 5.728 4.569 1.00 0.00 H new ATOM 0 HG LEU A 76 1.818 5.935 5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.426 7.701 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.224 6.121 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.941 7.349 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.078 8.285 6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.415 7.944 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.113 7.134 6.910 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.962 2.123 5.466 1.00 0.00 N ATOM 1159 CA LEU A 77 -2.002 1.099 5.161 1.00 0.00 C ATOM 1160 C LEU A 77 -2.562 0.572 6.486 1.00 0.00 C ATOM 1161 O LEU A 77 -3.757 0.441 6.662 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.380 -0.058 4.357 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.307 0.309 2.860 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.291 -0.599 2.159 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.678 0.128 2.184 1.00 0.00 C ATOM 0 H LEU A 77 0.001 1.790 5.429 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.801 1.542 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.381 -0.276 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.975 -0.962 4.488 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.004 1.353 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.240 -0.339 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.691 -0.465 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.600 -1.639 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.601 0.393 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.994 -0.911 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.410 0.774 2.668 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.697 0.276 7.419 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.156 -0.236 8.741 1.00 0.00 C ATOM 1179 C GLN A 78 -3.028 0.821 9.428 1.00 0.00 C ATOM 1180 O GLN A 78 -4.014 0.509 10.065 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.930 -0.532 9.619 1.00 0.00 C ATOM 1182 CG GLN A 78 -0.295 -1.860 9.193 1.00 0.00 C ATOM 1183 CD GLN A 78 0.967 -2.112 10.020 1.00 0.00 C ATOM 1184 OE1 GLN A 78 1.395 -1.185 10.833 1.00 0.00 O flip ATOM 1185 NE2 GLN A 78 1.569 -3.162 9.926 1.00 0.00 N flip ATOM 0 H GLN A 78 -0.686 0.368 7.320 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.738 -1.147 8.598 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.203 0.275 9.528 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.225 -0.579 10.667 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.004 -2.676 9.334 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.048 -1.833 8.132 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.235 -3.887 9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.409 -3.320 10.482 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.669 2.075 9.305 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.481 3.145 9.956 1.00 0.00 C ATOM 1196 C ASN A 79 -4.728 3.425 9.115 1.00 0.00 C ATOM 1197 O ASN A 79 -5.726 3.891 9.626 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.653 4.419 10.129 1.00 0.00 C ATOM 1199 CG ASN A 79 -3.460 5.448 10.922 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -4.205 6.220 10.355 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -3.342 5.490 12.222 1.00 0.00 N ATOM 0 H ASN A 79 -1.854 2.401 8.785 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.788 2.806 10.945 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.722 4.193 10.649 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.383 4.825 9.154 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.876 6.172 12.761 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.716 4.841 12.698 1.00 0.00 H new ATOM 1208 N SER A 80 -4.702 3.149 7.839 1.00 0.00 N ATOM 1209 CA SER A 80 -5.923 3.423 7.032 1.00 0.00 C ATOM 1210 C SER A 80 -7.040 2.546 7.596 1.00 0.00 C ATOM 1211 O SER A 80 -8.187 2.938 7.670 1.00 0.00 O ATOM 1212 CB SER A 80 -5.670 3.082 5.563 1.00 0.00 C ATOM 1213 OG SER A 80 -5.354 1.701 5.449 1.00 0.00 O ATOM 0 H SER A 80 -3.909 2.756 7.331 1.00 0.00 H new ATOM 0 HA SER A 80 -6.196 4.477 7.085 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.552 3.315 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.852 3.687 5.173 1.00 0.00 H new ATOM 0 HG SER A 80 -4.875 1.408 6.252 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.689 1.352 7.993 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.684 0.395 8.563 1.00 0.00 C ATOM 1221 C VAL A 81 -8.637 1.134 9.504 1.00 0.00 C ATOM 1222 O VAL A 81 -9.841 1.017 9.396 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.950 -0.691 9.351 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.953 -1.741 9.829 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.903 -1.353 8.455 1.00 0.00 C ATOM 0 H VAL A 81 -5.736 0.992 7.945 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.253 -0.055 7.749 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.457 -0.243 10.213 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.430 -2.515 10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.697 -1.268 10.470 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.448 -2.190 8.968 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.380 -2.127 9.017 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.394 -1.801 7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.187 -0.604 8.117 1.00 0.00 H new ATOM 1235 N LYS A 82 -8.113 1.886 10.428 1.00 0.00 N ATOM 1236 CA LYS A 82 -8.998 2.617 11.377 1.00 0.00 C ATOM 1237 C LYS A 82 -10.106 3.340 10.596 1.00 0.00 C ATOM 1238 O LYS A 82 -11.160 3.617 11.132 1.00 0.00 O ATOM 1239 CB LYS A 82 -8.159 3.611 12.194 1.00 0.00 C ATOM 1240 CG LYS A 82 -7.607 2.924 13.448 1.00 0.00 C ATOM 1241 CD LYS A 82 -6.726 3.906 14.223 1.00 0.00 C ATOM 1242 CE LYS A 82 -6.267 3.258 15.530 1.00 0.00 C ATOM 1243 NZ LYS A 82 -5.365 4.194 16.260 1.00 0.00 N ATOM 0 H LYS A 82 -7.113 2.027 10.568 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.468 1.914 12.065 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.338 3.992 11.587 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.770 4.468 12.478 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.427 2.580 14.078 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.029 2.043 13.168 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.862 4.188 13.622 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.280 4.821 14.433 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.130 3.011 16.149 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.747 2.323 15.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.053 3.753 17.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.536 4.408 15.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.876 5.075 16.471 1.00 0.00 H new ATOM 1257 N GLN A 83 -9.910 3.618 9.335 1.00 0.00 N ATOM 1258 CA GLN A 83 -11.001 4.280 8.566 1.00 0.00 C ATOM 1259 C GLN A 83 -12.225 3.369 8.641 1.00 0.00 C ATOM 1260 O GLN A 83 -13.334 3.740 8.312 1.00 0.00 O ATOM 1261 CB GLN A 83 -10.574 4.466 7.107 1.00 0.00 C ATOM 1262 CG GLN A 83 -11.523 5.448 6.415 1.00 0.00 C ATOM 1263 CD GLN A 83 -11.285 6.858 6.956 1.00 0.00 C ATOM 1264 OE1 GLN A 83 -10.221 7.156 7.462 1.00 0.00 O ATOM 1265 NE2 GLN A 83 -12.238 7.746 6.872 1.00 0.00 N ATOM 0 H GLN A 83 -9.057 3.419 8.812 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.225 5.263 8.980 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.551 4.840 7.062 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -10.586 3.507 6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.360 5.429 5.337 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.558 5.152 6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.131 7.497 6.447 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.089 8.689 7.231 1.00 0.00 H new ATOM 1274 N TYR A 84 -11.996 2.174 9.094 1.00 0.00 N ATOM 1275 CA TYR A 84 -13.103 1.185 9.231 1.00 0.00 C ATOM 1276 C TYR A 84 -14.207 1.794 10.088 1.00 0.00 C ATOM 1277 O TYR A 84 -15.334 1.949 9.663 1.00 0.00 O ATOM 1278 CB TYR A 84 -12.580 -0.089 9.900 1.00 0.00 C ATOM 1279 CG TYR A 84 -13.708 -1.084 10.030 1.00 0.00 C ATOM 1280 CD1 TYR A 84 -14.000 -1.955 8.972 1.00 0.00 C ATOM 1281 CD2 TYR A 84 -14.464 -1.136 11.207 1.00 0.00 C ATOM 1282 CE1 TYR A 84 -15.046 -2.877 9.093 1.00 0.00 C ATOM 1283 CE2 TYR A 84 -15.511 -2.058 11.328 1.00 0.00 C ATOM 1284 CZ TYR A 84 -15.801 -2.928 10.270 1.00 0.00 C ATOM 1285 OH TYR A 84 -16.834 -3.837 10.389 1.00 0.00 O ATOM 0 H TYR A 84 -11.079 1.832 9.380 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.494 0.934 8.245 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.769 -0.516 9.310 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.171 0.144 10.883 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.418 -1.915 8.063 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -14.240 -0.464 12.022 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -15.270 -3.549 8.278 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -16.094 -2.098 12.236 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.255 -3.741 11.269 1.00 0.00 H new ATOM 1295 N SER A 85 -13.875 2.149 11.288 1.00 0.00 N ATOM 1296 CA SER A 85 -14.878 2.767 12.201 1.00 0.00 C ATOM 1297 C SER A 85 -14.171 3.273 13.459 1.00 0.00 C ATOM 1298 O SER A 85 -14.480 2.872 14.562 1.00 0.00 O ATOM 1299 CB SER A 85 -15.934 1.733 12.589 1.00 0.00 C ATOM 1300 OG SER A 85 -15.416 0.892 13.610 1.00 0.00 O ATOM 0 H SER A 85 -12.942 2.039 11.686 1.00 0.00 H new ATOM 0 HA SER A 85 -15.364 3.600 11.693 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.838 2.233 12.938 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.214 1.138 11.719 1.00 0.00 H new ATOM 0 HG SER A 85 -15.378 1.388 14.454 1.00 0.00 H new ATOM 1306 N GLY A 86 -13.219 4.157 13.293 1.00 0.00 N ATOM 1307 CA GLY A 86 -12.473 4.710 14.466 1.00 0.00 C ATOM 1308 C GLY A 86 -12.337 6.221 14.293 1.00 0.00 C ATOM 1309 O GLY A 86 -12.984 6.994 14.971 1.00 0.00 O ATOM 0 H GLY A 86 -12.924 4.522 12.388 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.002 4.482 15.391 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.488 4.248 14.539 1.00 0.00 H new ATOM 1313 N LYS A 87 -11.509 6.652 13.379 1.00 0.00 N ATOM 1314 CA LYS A 87 -11.348 8.117 13.155 1.00 0.00 C ATOM 1315 C LYS A 87 -12.484 8.599 12.261 1.00 0.00 C ATOM 1316 O LYS A 87 -12.425 9.657 11.668 1.00 0.00 O ATOM 1317 CB LYS A 87 -10.003 8.394 12.478 1.00 0.00 C ATOM 1318 CG LYS A 87 -8.860 7.984 13.412 1.00 0.00 C ATOM 1319 CD LYS A 87 -7.559 7.859 12.610 1.00 0.00 C ATOM 1320 CE LYS A 87 -7.297 9.160 11.846 1.00 0.00 C ATOM 1321 NZ LYS A 87 -7.611 10.324 12.723 1.00 0.00 N ATOM 0 H LYS A 87 -10.939 6.055 12.780 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.375 8.644 14.109 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.936 7.841 11.541 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.921 9.452 12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.741 8.724 14.204 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.094 7.035 13.895 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.726 7.646 13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.629 7.024 11.913 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.256 9.203 11.526 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.909 9.195 10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.970 11.111 12.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.595 10.622 12.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.488 10.051 13.719 1.00 0.00 H new ATOM 1335 N PHE A 88 -13.518 7.816 12.180 1.00 0.00 N ATOM 1336 CA PHE A 88 -14.698 8.176 11.339 1.00 0.00 C ATOM 1337 C PHE A 88 -15.763 7.090 11.486 1.00 0.00 C ATOM 1338 O PHE A 88 -15.884 6.208 10.659 1.00 0.00 O ATOM 1339 CB PHE A 88 -14.287 8.267 9.871 1.00 0.00 C ATOM 1340 CG PHE A 88 -15.500 8.588 9.029 1.00 0.00 C ATOM 1341 CD1 PHE A 88 -15.991 9.898 8.983 1.00 0.00 C ATOM 1342 CD2 PHE A 88 -16.134 7.577 8.294 1.00 0.00 C ATOM 1343 CE1 PHE A 88 -17.114 10.198 8.204 1.00 0.00 C ATOM 1344 CE2 PHE A 88 -17.256 7.878 7.515 1.00 0.00 C ATOM 1345 CZ PHE A 88 -17.747 9.189 7.470 1.00 0.00 C ATOM 0 H PHE A 88 -13.601 6.924 12.668 1.00 0.00 H new ATOM 0 HA PHE A 88 -15.090 9.140 11.665 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.527 9.037 9.742 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -13.845 7.325 9.547 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -15.503 10.678 9.549 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.756 6.566 8.329 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -17.492 11.209 8.169 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -17.744 7.099 6.948 1.00 0.00 H new ATOM 0 HZ PHE A 88 -18.614 9.421 6.869 1.00 0.00 H new ATOM 1355 N PHE A 89 -16.532 7.148 12.531 1.00 0.00 N ATOM 1356 CA PHE A 89 -17.591 6.119 12.738 1.00 0.00 C ATOM 1357 C PHE A 89 -18.559 6.140 11.554 1.00 0.00 C ATOM 1358 O PHE A 89 -18.415 5.299 10.681 1.00 0.00 O ATOM 1359 CB PHE A 89 -18.359 6.428 14.025 1.00 0.00 C ATOM 1360 CG PHE A 89 -17.431 6.296 15.210 1.00 0.00 C ATOM 1361 CD1 PHE A 89 -17.299 5.064 15.862 1.00 0.00 C ATOM 1362 CD2 PHE A 89 -16.704 7.406 15.657 1.00 0.00 C ATOM 1363 CE1 PHE A 89 -16.441 4.943 16.961 1.00 0.00 C ATOM 1364 CE2 PHE A 89 -15.846 7.284 16.755 1.00 0.00 C ATOM 1365 CZ PHE A 89 -15.714 6.052 17.408 1.00 0.00 C ATOM 1366 OXT PHE A 89 -19.428 6.996 11.539 1.00 0.00 O ATOM 0 H PHE A 89 -16.476 7.864 13.255 1.00 0.00 H new ATOM 0 HA PHE A 89 -17.130 5.135 12.816 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -18.770 7.437 13.982 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -19.201 5.744 14.131 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -17.859 4.207 15.517 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -16.806 8.356 15.154 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -16.340 3.993 17.465 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -15.285 8.140 17.099 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.052 5.958 18.256 1.00 0.00 H new TER 1376 PHE A 89