USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 858 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 27 THR OG1 : rot -164:sc= 1.05 USER MOD Set 1.2: B 5 GLN :FLIP amide:sc= -1.37 F(o=-2.7!,f=-0.31) USER MOD Set 2.1: A 5 GLN : amide:sc= 1.44 X(o=1.7,f=1.8) USER MOD Set 2.2: B 27 THR OG1 : rot -158:sc= 0.22 USER MOD Single : A 3 ASN :FLIP amide:sc= -0.435 F(o=-3.4!,f=-0.44) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0741 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -2.29! C(o=-2.3!,f=-6.1!) USER MOD Single : A 17 SER OG : rot 150:sc= -0.727 USER MOD Single : A 21 LYS NZ :NH3+ -154:sc= -0.328 (180deg=-1.37!) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.861 F(o=-1.8,f=-0.86) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -111:sc= -1.12! (180deg=-3.23!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 62 TYR OH : rot 30:sc= -2.21 USER MOD Single : B 3 ASN :FLIP amide:sc= -0.874 F(o=-2.1,f=-0.87) USER MOD Single : B 8 SER OG : rot 180:sc= -0.0391 USER MOD Single : B 10 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : B 13 SER OG : rot 180:sc= -0.0657 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.567 K(o=-0.57,f=-4.2!) USER MOD Single : B 17 SER OG : rot -99:sc= 0.473 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 33 SER OG : rot 180:sc= -0.596 USER MOD Single : B 35 LYS NZ :NH3+ -118:sc= 0.632 (180deg=-2.13!) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 TYR OH : rot 155:sc= 0.028 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 -11.276 8.787 -8.650 1.00 0.00 N ATOM 33 CA ASN A 3 -9.868 8.602 -8.191 1.00 0.00 C ATOM 34 C ASN A 3 -9.838 7.616 -7.018 1.00 0.00 C ATOM 35 O ASN A 3 -8.834 7.452 -6.357 1.00 0.00 O ATOM 36 CB ASN A 3 -9.301 9.956 -7.755 1.00 0.00 C ATOM 37 CG ASN A 3 -10.244 10.609 -6.747 1.00 0.00 C ATOM 38 OD1 ASN A 3 -10.158 10.280 -5.491 1.00 0.00 O flip ATOM 39 ND2 ASN A 3 -11.064 11.428 -7.105 1.00 0.00 N flip ATOM 0 HA ASN A 3 -9.262 8.202 -9.004 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.315 9.822 -7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.175 10.604 -8.622 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.131 11.686 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.686 11.859 -6.421 1.00 0.00 H new ATOM 46 N ARG A 4 -10.932 6.950 -6.764 1.00 0.00 N ATOM 47 CA ARG A 4 -10.965 5.969 -5.644 1.00 0.00 C ATOM 48 C ARG A 4 -10.128 4.746 -6.024 1.00 0.00 C ATOM 49 O ARG A 4 -10.044 4.378 -7.177 1.00 0.00 O ATOM 50 CB ARG A 4 -12.417 5.537 -5.387 1.00 0.00 C ATOM 51 CG ARG A 4 -13.240 6.722 -4.842 1.00 0.00 C ATOM 52 CD ARG A 4 -13.092 6.814 -3.318 1.00 0.00 C ATOM 53 NE ARG A 4 -13.766 5.649 -2.678 1.00 0.00 N ATOM 54 CZ ARG A 4 -15.055 5.668 -2.466 1.00 0.00 C ATOM 55 NH1 ARG A 4 -15.760 6.710 -2.813 1.00 0.00 N ATOM 56 NH2 ARG A 4 -15.635 4.648 -1.898 1.00 0.00 N ATOM 0 H ARG A 4 -11.804 7.044 -7.285 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.558 6.426 -4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.863 5.170 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.438 4.713 -4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.904 7.650 -5.304 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.290 6.597 -5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.037 6.831 -3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.530 7.744 -2.956 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.218 4.833 -2.404 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.305 7.511 -3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -16.766 6.723 -2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.083 3.837 -1.620 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.641 4.661 -1.732 1.00 0.00 H new ATOM 70 N GLN A 5 -9.505 4.111 -5.062 1.00 0.00 N ATOM 71 CA GLN A 5 -8.669 2.911 -5.368 1.00 0.00 C ATOM 72 C GLN A 5 -8.841 1.863 -4.274 1.00 0.00 C ATOM 73 O GLN A 5 -9.220 2.165 -3.155 1.00 0.00 O ATOM 74 CB GLN A 5 -7.201 3.330 -5.469 1.00 0.00 C ATOM 75 CG GLN A 5 -6.986 4.088 -6.779 1.00 0.00 C ATOM 76 CD GLN A 5 -5.537 4.563 -6.866 1.00 0.00 C ATOM 77 OE1 GLN A 5 -5.127 5.438 -6.131 1.00 0.00 O ATOM 78 NE2 GLN A 5 -4.729 3.995 -7.719 1.00 0.00 N ATOM 0 H GLN A 5 -9.540 4.373 -4.077 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.987 2.479 -6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.931 3.960 -4.621 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.556 2.452 -5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.219 3.443 -7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.662 4.941 -6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.074 3.260 -8.336 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.753 4.286 -7.768 1.00 0.00 H new ATOM 87 N PHE A 6 -8.573 0.624 -4.602 1.00 0.00 N ATOM 88 CA PHE A 6 -8.718 -0.481 -3.613 1.00 0.00 C ATOM 89 C PHE A 6 -7.332 -0.948 -3.189 1.00 0.00 C ATOM 90 O PHE A 6 -6.513 -1.296 -4.014 1.00 0.00 O ATOM 91 CB PHE A 6 -9.456 -1.640 -4.277 1.00 0.00 C ATOM 92 CG PHE A 6 -10.766 -1.132 -4.823 1.00 0.00 C ATOM 93 CD1 PHE A 6 -11.907 -1.121 -4.015 1.00 0.00 C ATOM 94 CD2 PHE A 6 -10.832 -0.657 -6.137 1.00 0.00 C ATOM 95 CE1 PHE A 6 -13.118 -0.641 -4.522 1.00 0.00 C ATOM 96 CE2 PHE A 6 -12.044 -0.176 -6.646 1.00 0.00 C ATOM 97 CZ PHE A 6 -13.187 -0.166 -5.838 1.00 0.00 C ATOM 0 H PHE A 6 -8.256 0.330 -5.526 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.275 -0.136 -2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -8.851 -2.063 -5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.632 -2.438 -3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.853 -1.483 -2.999 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -9.949 -0.661 -6.758 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -14.000 -0.636 -3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -12.097 0.187 -7.662 1.00 0.00 H new ATOM 0 HZ PHE A 6 -14.122 0.208 -6.229 1.00 0.00 H new ATOM 107 N LEU A 7 -7.066 -0.965 -1.907 1.00 0.00 N ATOM 108 CA LEU A 7 -5.729 -1.414 -1.414 1.00 0.00 C ATOM 109 C LEU A 7 -5.934 -2.649 -0.545 1.00 0.00 C ATOM 110 O LEU A 7 -6.696 -2.630 0.401 1.00 0.00 O ATOM 111 CB LEU A 7 -5.104 -0.287 -0.584 1.00 0.00 C ATOM 112 CG LEU A 7 -3.607 -0.568 -0.328 1.00 0.00 C ATOM 113 CD1 LEU A 7 -2.904 0.746 0.041 1.00 0.00 C ATOM 114 CD2 LEU A 7 -3.424 -1.595 0.812 1.00 0.00 C ATOM 0 H LEU A 7 -7.721 -0.686 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.067 -1.654 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.217 0.663 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.630 -0.193 0.366 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.168 -0.985 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.847 0.554 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.008 1.457 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.358 1.161 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.361 -1.775 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.868 -1.205 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.914 -2.530 0.541 1.00 0.00 H new ATOM 126 N SER A 8 -5.260 -3.728 -0.864 1.00 0.00 N ATOM 127 CA SER A 8 -5.409 -4.986 -0.070 1.00 0.00 C ATOM 128 C SER A 8 -4.086 -5.329 0.597 1.00 0.00 C ATOM 129 O SER A 8 -3.038 -5.270 -0.013 1.00 0.00 O ATOM 130 CB SER A 8 -5.817 -6.124 -1.003 1.00 0.00 C ATOM 131 OG SER A 8 -5.923 -7.329 -0.257 1.00 0.00 O ATOM 0 H SER A 8 -4.609 -3.790 -1.646 1.00 0.00 H new ATOM 0 HA SER A 8 -6.173 -4.845 0.695 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.769 -5.894 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.081 -6.239 -1.798 1.00 0.00 H new ATOM 0 HG SER A 8 -6.186 -8.061 -0.853 1.00 0.00 H new ATOM 137 N LEU A 9 -4.125 -5.693 1.853 1.00 0.00 N ATOM 138 CA LEU A 9 -2.865 -6.043 2.566 1.00 0.00 C ATOM 139 C LEU A 9 -3.139 -7.165 3.570 1.00 0.00 C ATOM 140 O LEU A 9 -4.225 -7.278 4.113 1.00 0.00 O ATOM 141 CB LEU A 9 -2.336 -4.809 3.308 1.00 0.00 C ATOM 142 CG LEU A 9 -0.860 -5.028 3.696 1.00 0.00 C ATOM 143 CD1 LEU A 9 0.064 -4.763 2.492 1.00 0.00 C ATOM 144 CD2 LEU A 9 -0.486 -4.081 4.842 1.00 0.00 C ATOM 0 H LEU A 9 -4.975 -5.762 2.413 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.121 -6.378 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.429 -3.926 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.933 -4.626 4.201 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.734 -6.063 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.101 -4.923 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.192 -5.444 1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.063 -3.734 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.558 -4.236 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.628 -3.049 4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.122 -4.284 5.704 1.00 0.00 H new ATOM 156 N THR A 10 -2.163 -8.002 3.816 1.00 0.00 N ATOM 157 CA THR A 10 -2.353 -9.122 4.785 1.00 0.00 C ATOM 158 C THR A 10 -1.063 -9.341 5.581 1.00 0.00 C ATOM 159 O THR A 10 -0.192 -8.498 5.612 1.00 0.00 O ATOM 160 CB THR A 10 -2.684 -10.400 4.016 1.00 0.00 C ATOM 161 OG1 THR A 10 -1.476 -11.010 3.590 1.00 0.00 O ATOM 162 CG2 THR A 10 -3.540 -10.058 2.797 1.00 0.00 C ATOM 0 H THR A 10 -1.239 -7.957 3.385 1.00 0.00 H new ATOM 0 HA THR A 10 -3.166 -8.874 5.468 1.00 0.00 H new ATOM 0 HB THR A 10 -3.235 -11.084 4.661 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.681 -11.832 3.097 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.775 -10.971 2.250 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.465 -9.582 3.124 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.992 -9.376 2.147 1.00 0.00 H new ATOM 170 N GLY A 11 -0.939 -10.478 6.220 1.00 0.00 N ATOM 171 CA GLY A 11 0.291 -10.774 7.013 1.00 0.00 C ATOM 172 C GLY A 11 0.555 -9.646 8.012 1.00 0.00 C ATOM 173 O GLY A 11 1.644 -9.502 8.526 1.00 0.00 O ATOM 0 H GLY A 11 -1.642 -11.217 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.173 -11.719 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.145 -10.887 6.346 1.00 0.00 H new ATOM 177 N VAL A 12 -0.431 -8.845 8.289 1.00 0.00 N ATOM 178 CA VAL A 12 -0.234 -7.724 9.249 1.00 0.00 C ATOM 179 C VAL A 12 -0.082 -8.274 10.670 1.00 0.00 C ATOM 180 O VAL A 12 -0.733 -9.227 11.051 1.00 0.00 O ATOM 181 CB VAL A 12 -1.437 -6.786 9.182 1.00 0.00 C ATOM 182 CG1 VAL A 12 -1.118 -5.485 9.920 1.00 0.00 C ATOM 183 CG2 VAL A 12 -1.746 -6.478 7.716 1.00 0.00 C ATOM 0 H VAL A 12 -1.368 -8.917 7.892 1.00 0.00 H new ATOM 0 HA VAL A 12 0.670 -7.176 8.985 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.299 -7.261 9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.979 -4.818 9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.889 -5.705 10.963 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.258 -5.004 9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.604 -5.808 7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.882 -6.001 7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.973 -7.405 7.189 1.00 0.00 H new ATOM 193 N SER A 13 0.783 -7.689 11.454 1.00 0.00 N ATOM 194 CA SER A 13 0.982 -8.185 12.841 1.00 0.00 C ATOM 195 C SER A 13 -0.239 -7.833 13.687 1.00 0.00 C ATOM 196 O SER A 13 -0.749 -8.657 14.416 1.00 0.00 O ATOM 197 CB SER A 13 2.213 -7.509 13.437 1.00 0.00 C ATOM 198 OG SER A 13 3.359 -7.863 12.673 1.00 0.00 O ATOM 0 H SER A 13 1.359 -6.889 11.192 1.00 0.00 H new ATOM 0 HA SER A 13 1.118 -9.266 12.828 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.083 -6.427 13.439 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.344 -7.816 14.475 1.00 0.00 H new ATOM 0 HG SER A 13 4.152 -7.429 13.052 1.00 0.00 H new ATOM 204 N LYS A 14 -0.728 -6.623 13.585 1.00 0.00 N ATOM 205 CA LYS A 14 -1.932 -6.244 14.387 1.00 0.00 C ATOM 206 C LYS A 14 -2.344 -4.803 14.081 1.00 0.00 C ATOM 207 O LYS A 14 -1.543 -3.988 13.674 1.00 0.00 O ATOM 208 CB LYS A 14 -1.645 -6.377 15.896 1.00 0.00 C ATOM 209 CG LYS A 14 -0.319 -5.663 16.278 1.00 0.00 C ATOM 210 CD LYS A 14 -0.609 -4.271 16.867 1.00 0.00 C ATOM 211 CE LYS A 14 -0.963 -4.395 18.354 1.00 0.00 C ATOM 212 NZ LYS A 14 -1.179 -3.038 18.924 1.00 0.00 N ATOM 0 H LYS A 14 -0.351 -5.887 12.988 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.742 -6.920 14.115 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.470 -5.948 16.465 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.585 -7.431 16.166 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.229 -6.264 17.003 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.316 -5.567 15.398 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.261 -3.626 16.744 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.431 -3.802 16.327 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.861 -5.000 18.476 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.161 -4.903 18.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.419 -3.119 19.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.311 -2.475 18.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.958 -2.569 18.419 1.00 0.00 H new ATOM 226 N VAL A 15 -3.597 -4.491 14.276 1.00 0.00 N ATOM 227 CA VAL A 15 -4.082 -3.109 14.002 1.00 0.00 C ATOM 228 C VAL A 15 -3.666 -2.163 15.134 1.00 0.00 C ATOM 229 O VAL A 15 -3.843 -2.455 16.301 1.00 0.00 O ATOM 230 CB VAL A 15 -5.606 -3.133 13.895 1.00 0.00 C ATOM 231 CG1 VAL A 15 -6.146 -1.706 13.763 1.00 0.00 C ATOM 232 CG2 VAL A 15 -6.007 -3.946 12.662 1.00 0.00 C ATOM 0 H VAL A 15 -4.309 -5.138 14.615 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.644 -2.752 13.070 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.024 -3.588 14.793 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.233 -1.734 13.687 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.858 -1.125 14.639 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.732 -1.242 12.868 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.094 -3.968 12.578 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.584 -3.486 11.769 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.630 -4.964 12.759 1.00 0.00 H new ATOM 242 N GLN A 16 -3.123 -1.026 14.790 1.00 0.00 N ATOM 243 CA GLN A 16 -2.698 -0.040 15.823 1.00 0.00 C ATOM 244 C GLN A 16 -3.784 1.026 15.969 1.00 0.00 C ATOM 245 O GLN A 16 -4.034 1.530 17.046 1.00 0.00 O ATOM 246 CB GLN A 16 -1.395 0.616 15.368 1.00 0.00 C ATOM 247 CG GLN A 16 -0.903 1.601 16.429 1.00 0.00 C ATOM 248 CD GLN A 16 0.502 2.081 16.061 1.00 0.00 C ATOM 249 OE1 GLN A 16 1.386 1.281 15.822 1.00 0.00 O ATOM 250 NE2 GLN A 16 0.749 3.360 15.996 1.00 0.00 N ATOM 0 H GLN A 16 -2.954 -0.736 13.827 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.545 -0.537 16.781 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.637 -0.147 15.190 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.551 1.136 14.423 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.583 2.450 16.497 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.891 1.123 17.408 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.009 4.033 16.196 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.682 3.687 15.745 1.00 0.00 H new ATOM 259 N SER A 17 -4.441 1.372 14.896 1.00 0.00 N ATOM 260 CA SER A 17 -5.513 2.398 14.988 1.00 0.00 C ATOM 261 C SER A 17 -6.418 2.306 13.765 1.00 0.00 C ATOM 262 O SER A 17 -6.056 1.739 12.755 1.00 0.00 O ATOM 263 CB SER A 17 -4.889 3.795 15.029 1.00 0.00 C ATOM 264 OG SER A 17 -4.684 4.260 13.701 1.00 0.00 O ATOM 0 H SER A 17 -4.281 0.989 13.964 1.00 0.00 H new ATOM 0 HA SER A 17 -6.092 2.222 15.895 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.541 4.481 15.570 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.941 3.766 15.566 1.00 0.00 H new ATOM 0 HG SER A 17 -4.755 5.237 13.682 1.00 0.00 H new ATOM 270 N PHE A 18 -7.581 2.888 13.835 1.00 0.00 N ATOM 271 CA PHE A 18 -8.493 2.863 12.662 1.00 0.00 C ATOM 272 C PHE A 18 -9.329 4.140 12.667 1.00 0.00 C ATOM 273 O PHE A 18 -10.259 4.271 13.434 1.00 0.00 O ATOM 274 CB PHE A 18 -9.416 1.630 12.743 1.00 0.00 C ATOM 275 CG PHE A 18 -10.598 1.787 11.796 1.00 0.00 C ATOM 276 CD1 PHE A 18 -10.393 2.173 10.464 1.00 0.00 C ATOM 277 CD2 PHE A 18 -11.904 1.561 12.261 1.00 0.00 C ATOM 278 CE1 PHE A 18 -11.485 2.332 9.602 1.00 0.00 C ATOM 279 CE2 PHE A 18 -12.995 1.725 11.396 1.00 0.00 C ATOM 280 CZ PHE A 18 -12.784 2.111 10.068 1.00 0.00 C ATOM 0 H PHE A 18 -7.939 3.380 14.654 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.913 2.804 11.741 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.855 0.731 12.488 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.775 1.503 13.764 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.391 2.348 10.102 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -12.068 1.261 13.285 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.323 2.626 8.575 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.999 1.553 11.755 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.625 2.238 9.403 1.00 0.00 H new ATOM 290 N ASP A 19 -9.013 5.072 11.801 1.00 0.00 N ATOM 291 CA ASP A 19 -9.800 6.339 11.728 1.00 0.00 C ATOM 292 C ASP A 19 -10.101 6.639 10.245 1.00 0.00 C ATOM 293 O ASP A 19 -9.192 6.697 9.444 1.00 0.00 O ATOM 294 CB ASP A 19 -8.991 7.492 12.331 1.00 0.00 C ATOM 295 CG ASP A 19 -8.719 7.193 13.805 1.00 0.00 C ATOM 296 OD1 ASP A 19 -7.930 6.302 14.071 1.00 0.00 O ATOM 297 OD2 ASP A 19 -9.309 7.857 14.640 1.00 0.00 O ATOM 0 H ASP A 19 -8.240 5.008 11.139 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.729 6.233 12.288 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.051 7.614 11.792 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.540 8.429 12.232 1.00 0.00 H new ATOM 302 N PRO A 20 -11.347 6.835 9.865 1.00 0.00 N ATOM 303 CA PRO A 20 -11.699 7.150 8.447 1.00 0.00 C ATOM 304 C PRO A 20 -10.797 8.248 7.864 1.00 0.00 C ATOM 305 O PRO A 20 -10.648 8.372 6.664 1.00 0.00 O ATOM 306 CB PRO A 20 -13.153 7.640 8.532 1.00 0.00 C ATOM 307 CG PRO A 20 -13.720 6.983 9.753 1.00 0.00 C ATOM 308 CD PRO A 20 -12.549 6.765 10.718 1.00 0.00 C ATOM 0 HA PRO A 20 -11.570 6.288 7.793 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.198 8.726 8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.714 7.363 7.640 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.486 7.609 10.209 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.193 6.035 9.498 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.528 7.529 11.496 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.623 5.800 11.220 1.00 0.00 H new ATOM 316 N LYS A 21 -10.205 9.052 8.708 1.00 0.00 N ATOM 317 CA LYS A 21 -9.323 10.148 8.213 1.00 0.00 C ATOM 318 C LYS A 21 -7.869 9.668 8.195 1.00 0.00 C ATOM 319 O LYS A 21 -6.998 10.321 7.663 1.00 0.00 O ATOM 320 CB LYS A 21 -9.450 11.346 9.154 1.00 0.00 C ATOM 321 CG LYS A 21 -10.878 11.899 9.084 1.00 0.00 C ATOM 322 CD LYS A 21 -10.981 13.214 9.869 1.00 0.00 C ATOM 323 CE LYS A 21 -11.047 12.937 11.375 1.00 0.00 C ATOM 324 NZ LYS A 21 -12.182 12.017 11.666 1.00 0.00 N ATOM 0 H LYS A 21 -10.295 8.996 9.722 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.620 10.433 7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.214 11.047 10.175 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.735 12.119 8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.160 12.066 8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.578 11.169 9.491 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.121 13.845 9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.869 13.763 9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.111 12.494 11.715 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.174 13.872 11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.508 12.166 12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.963 12.210 11.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.868 11.032 11.552 1.00 0.00 H new ATOM 338 N GLU A 22 -7.610 8.520 8.756 1.00 0.00 N ATOM 339 CA GLU A 22 -6.222 7.977 8.762 1.00 0.00 C ATOM 340 C GLU A 22 -6.233 6.569 9.353 1.00 0.00 C ATOM 341 O GLU A 22 -6.973 6.289 10.267 1.00 0.00 O ATOM 342 CB GLU A 22 -5.301 8.880 9.596 1.00 0.00 C ATOM 343 CG GLU A 22 -3.901 8.264 9.635 1.00 0.00 C ATOM 344 CD GLU A 22 -2.898 9.307 10.130 1.00 0.00 C ATOM 345 OE1 GLU A 22 -3.334 10.360 10.561 1.00 0.00 O ATOM 346 OE2 GLU A 22 -1.711 9.034 10.066 1.00 0.00 O ATOM 0 H GLU A 22 -8.305 7.930 9.214 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.848 7.944 7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.261 9.879 9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.694 8.987 10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.893 7.395 10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.618 7.915 8.642 1.00 0.00 H new ATOM 353 N ILE A 23 -5.420 5.680 8.837 1.00 0.00 N ATOM 354 CA ILE A 23 -5.391 4.283 9.379 1.00 0.00 C ATOM 355 C ILE A 23 -3.948 3.905 9.702 1.00 0.00 C ATOM 356 O ILE A 23 -3.061 4.084 8.892 1.00 0.00 O ATOM 357 CB ILE A 23 -5.949 3.318 8.329 1.00 0.00 C ATOM 358 CG1 ILE A 23 -7.359 3.769 7.935 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.028 1.907 8.926 1.00 0.00 C ATOM 360 CD1 ILE A 23 -7.876 2.939 6.751 1.00 0.00 C ATOM 0 H ILE A 23 -4.776 5.859 8.066 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.998 4.224 10.282 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.299 3.313 7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.033 3.661 8.785 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.348 4.826 7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.425 1.218 8.180 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.032 1.582 9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.684 1.917 9.797 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.879 3.272 6.484 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.211 3.069 5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.906 1.886 7.030 1.00 0.00 H new ATOM 372 N LEU A 24 -3.709 3.375 10.877 1.00 0.00 N ATOM 373 CA LEU A 24 -2.322 2.970 11.265 1.00 0.00 C ATOM 374 C LEU A 24 -2.298 1.460 11.479 1.00 0.00 C ATOM 375 O LEU A 24 -2.949 0.943 12.364 1.00 0.00 O ATOM 376 CB LEU A 24 -1.946 3.687 12.561 1.00 0.00 C ATOM 377 CG LEU A 24 -2.152 5.196 12.380 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.785 5.921 13.675 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.277 5.711 11.226 1.00 0.00 C ATOM 0 H LEU A 24 -4.420 3.205 11.588 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.610 3.238 10.484 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.559 3.320 13.385 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.908 3.478 12.818 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.198 5.390 12.142 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.932 6.993 13.546 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.420 5.563 14.485 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.741 5.724 13.919 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.429 6.783 11.104 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.228 5.517 11.450 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.552 5.199 10.304 1.00 0.00 H new ATOM 391 N LEU A 25 -1.554 0.746 10.666 1.00 0.00 N ATOM 392 CA LEU A 25 -1.487 -0.743 10.801 1.00 0.00 C ATOM 393 C LEU A 25 -0.059 -1.164 11.126 1.00 0.00 C ATOM 394 O LEU A 25 0.884 -0.762 10.474 1.00 0.00 O ATOM 395 CB LEU A 25 -1.916 -1.383 9.479 1.00 0.00 C ATOM 396 CG LEU A 25 -3.304 -0.865 9.087 1.00 0.00 C ATOM 397 CD1 LEU A 25 -3.733 -1.508 7.765 1.00 0.00 C ATOM 398 CD2 LEU A 25 -4.326 -1.203 10.184 1.00 0.00 C ATOM 0 H LEU A 25 -0.988 1.134 9.911 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.150 -1.068 11.603 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.194 -1.147 8.697 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.936 -2.468 9.578 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.260 0.218 8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.720 -1.140 7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.016 -1.251 6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.769 -2.591 7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.308 -0.830 9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.373 -2.284 10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.022 -0.735 11.121 1.00 0.00 H new ATOM 410 N GLU A 26 0.107 -1.980 12.132 1.00 0.00 N ATOM 411 CA GLU A 26 1.471 -2.435 12.501 1.00 0.00 C ATOM 412 C GLU A 26 1.866 -3.592 11.593 1.00 0.00 C ATOM 413 O GLU A 26 1.408 -4.710 11.762 1.00 0.00 O ATOM 414 CB GLU A 26 1.483 -2.883 13.957 1.00 0.00 C ATOM 415 CG GLU A 26 2.917 -3.196 14.388 1.00 0.00 C ATOM 416 CD GLU A 26 2.966 -3.369 15.907 1.00 0.00 C ATOM 417 OE1 GLU A 26 2.514 -2.471 16.600 1.00 0.00 O ATOM 418 OE2 GLU A 26 3.453 -4.394 16.353 1.00 0.00 O ATOM 0 H GLU A 26 -0.646 -2.349 12.712 1.00 0.00 H new ATOM 0 HA GLU A 26 2.183 -1.619 12.380 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.065 -2.102 14.591 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.855 -3.765 14.081 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.266 -4.104 13.896 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.584 -2.391 14.081 1.00 0.00 H new ATOM 425 N THR A 27 2.705 -3.318 10.617 1.00 0.00 N ATOM 426 CA THR A 27 3.144 -4.376 9.660 1.00 0.00 C ATOM 427 C THR A 27 4.674 -4.472 9.645 1.00 0.00 C ATOM 428 O THR A 27 5.366 -3.780 10.377 1.00 0.00 O ATOM 429 CB THR A 27 2.631 -4.032 8.253 1.00 0.00 C ATOM 430 OG1 THR A 27 2.754 -5.172 7.415 1.00 0.00 O ATOM 431 CG2 THR A 27 3.441 -2.875 7.658 1.00 0.00 C ATOM 0 H THR A 27 3.105 -2.396 10.446 1.00 0.00 H new ATOM 0 HA THR A 27 2.735 -5.337 9.974 1.00 0.00 H new ATOM 0 HB THR A 27 1.585 -3.733 8.322 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.674 -4.899 6.477 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.066 -2.643 6.661 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.343 -1.997 8.296 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.491 -3.161 7.593 1.00 0.00 H new ATOM 439 N ILE A 28 5.181 -5.342 8.808 1.00 0.00 N ATOM 440 CA ILE A 28 6.647 -5.569 8.685 1.00 0.00 C ATOM 441 C ILE A 28 7.422 -4.281 8.962 1.00 0.00 C ATOM 442 O ILE A 28 6.935 -3.188 8.765 1.00 0.00 O ATOM 443 CB ILE A 28 6.985 -6.053 7.259 1.00 0.00 C ATOM 444 CG1 ILE A 28 5.884 -6.987 6.745 1.00 0.00 C ATOM 445 CG2 ILE A 28 8.315 -6.814 7.284 1.00 0.00 C ATOM 446 CD1 ILE A 28 6.245 -7.486 5.346 1.00 0.00 C ATOM 0 H ILE A 28 4.617 -5.921 8.186 1.00 0.00 H new ATOM 0 HA ILE A 28 6.934 -6.324 9.417 1.00 0.00 H new ATOM 0 HB ILE A 28 7.061 -5.189 6.599 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.764 -7.832 7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.930 -6.461 6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.557 -7.157 6.278 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.105 -6.154 7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.230 -7.673 7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.461 -8.150 4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.343 -6.636 4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.190 -8.028 5.386 1.00 0.00 H new ATOM 458 N GLN A 29 8.629 -4.429 9.401 1.00 0.00 N ATOM 459 CA GLN A 29 9.508 -3.260 9.698 1.00 0.00 C ATOM 460 C GLN A 29 8.947 -2.413 10.840 1.00 0.00 C ATOM 461 O GLN A 29 9.574 -2.266 11.871 1.00 0.00 O ATOM 462 CB GLN A 29 9.637 -2.362 8.470 1.00 0.00 C ATOM 463 CG GLN A 29 9.974 -3.196 7.240 1.00 0.00 C ATOM 464 CD GLN A 29 11.358 -3.816 7.412 1.00 0.00 C ATOM 465 OE1 GLN A 29 11.507 -5.099 7.240 1.00 0.00 O flip ATOM 466 NE2 GLN A 29 12.312 -3.127 7.705 1.00 0.00 N flip ATOM 0 H GLN A 29 9.063 -5.336 9.574 1.00 0.00 H new ATOM 0 HA GLN A 29 10.481 -3.661 9.984 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.705 -1.821 8.307 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.414 -1.616 8.636 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.228 -3.978 7.102 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.951 -2.572 6.347 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.194 -2.123 7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.233 -3.552 7.817 1.00 0.00 H new ATOM 475 N GLY A 30 7.793 -1.826 10.667 1.00 0.00 N ATOM 476 CA GLY A 30 7.249 -0.962 11.749 1.00 0.00 C ATOM 477 C GLY A 30 5.751 -0.753 11.547 1.00 0.00 C ATOM 478 O GLY A 30 4.989 -1.696 11.490 1.00 0.00 O ATOM 0 H GLY A 30 7.211 -1.907 9.833 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.433 -1.422 12.720 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.762 -0.000 11.750 1.00 0.00 H new ATOM 482 N VAL A 31 5.324 0.485 11.452 1.00 0.00 N ATOM 483 CA VAL A 31 3.872 0.790 11.266 1.00 0.00 C ATOM 484 C VAL A 31 3.671 1.567 9.968 1.00 0.00 C ATOM 485 O VAL A 31 4.404 2.485 9.663 1.00 0.00 O ATOM 486 CB VAL A 31 3.378 1.625 12.456 1.00 0.00 C ATOM 487 CG1 VAL A 31 1.972 2.167 12.167 1.00 0.00 C ATOM 488 CG2 VAL A 31 3.349 0.755 13.725 1.00 0.00 C ATOM 0 H VAL A 31 5.929 1.305 11.496 1.00 0.00 H new ATOM 0 HA VAL A 31 3.305 -0.140 11.212 1.00 0.00 H new ATOM 0 HB VAL A 31 4.058 2.463 12.610 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.628 2.758 13.016 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.000 2.794 11.276 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.288 1.335 12.004 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.998 1.351 14.567 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.676 -0.089 13.572 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.353 0.385 13.936 1.00 0.00 H new ATOM 498 N LEU A 32 2.675 1.202 9.203 1.00 0.00 N ATOM 499 CA LEU A 32 2.406 1.910 7.920 1.00 0.00 C ATOM 500 C LEU A 32 1.261 2.900 8.123 1.00 0.00 C ATOM 501 O LEU A 32 0.185 2.536 8.556 1.00 0.00 O ATOM 502 CB LEU A 32 2.019 0.875 6.854 1.00 0.00 C ATOM 503 CG LEU A 32 1.567 1.572 5.560 1.00 0.00 C ATOM 504 CD1 LEU A 32 2.698 2.447 5.010 1.00 0.00 C ATOM 505 CD2 LEU A 32 1.192 0.510 4.524 1.00 0.00 C ATOM 0 H LEU A 32 2.033 0.438 9.415 1.00 0.00 H new ATOM 0 HA LEU A 32 3.294 2.452 7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.869 0.225 6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.217 0.240 7.230 1.00 0.00 H new ATOM 0 HG LEU A 32 0.704 2.203 5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.367 2.936 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.965 3.203 5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.568 1.826 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.870 0.997 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.058 -0.119 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.380 -0.106 4.911 1.00 0.00 H new ATOM 517 N SER A 33 1.479 4.149 7.802 1.00 0.00 N ATOM 518 CA SER A 33 0.407 5.171 7.964 1.00 0.00 C ATOM 519 C SER A 33 -0.169 5.508 6.589 1.00 0.00 C ATOM 520 O SER A 33 0.540 5.942 5.705 1.00 0.00 O ATOM 521 CB SER A 33 1.012 6.428 8.582 1.00 0.00 C ATOM 522 OG SER A 33 1.664 6.083 9.797 1.00 0.00 O ATOM 0 H SER A 33 2.360 4.505 7.432 1.00 0.00 H new ATOM 0 HA SER A 33 -0.383 4.788 8.609 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.722 6.882 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.233 7.167 8.770 1.00 0.00 H new ATOM 0 HG SER A 33 2.056 6.887 10.198 1.00 0.00 H new ATOM 528 N ILE A 34 -1.453 5.316 6.407 1.00 0.00 N ATOM 529 CA ILE A 34 -2.094 5.626 5.091 1.00 0.00 C ATOM 530 C ILE A 34 -3.005 6.840 5.265 1.00 0.00 C ATOM 531 O ILE A 34 -3.842 6.872 6.148 1.00 0.00 O ATOM 532 CB ILE A 34 -2.914 4.416 4.638 1.00 0.00 C ATOM 533 CG1 ILE A 34 -1.975 3.218 4.482 1.00 0.00 C ATOM 534 CG2 ILE A 34 -3.589 4.716 3.298 1.00 0.00 C ATOM 535 CD1 ILE A 34 -2.789 1.947 4.239 1.00 0.00 C ATOM 0 H ILE A 34 -2.088 4.955 7.119 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.336 5.845 4.339 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.683 4.195 5.378 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.291 3.387 3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.365 3.104 5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.171 3.850 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.249 5.576 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.829 4.935 2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.114 1.098 4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.455 1.774 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.379 2.061 3.330 1.00 0.00 H new ATOM 547 N LYS A 35 -2.836 7.845 4.436 1.00 0.00 N ATOM 548 CA LYS A 35 -3.673 9.082 4.547 1.00 0.00 C ATOM 549 C LYS A 35 -4.503 9.270 3.278 1.00 0.00 C ATOM 550 O LYS A 35 -4.090 8.915 2.192 1.00 0.00 O ATOM 551 CB LYS A 35 -2.759 10.295 4.724 1.00 0.00 C ATOM 552 CG LYS A 35 -2.086 10.231 6.095 1.00 0.00 C ATOM 553 CD LYS A 35 -1.188 11.454 6.278 1.00 0.00 C ATOM 554 CE LYS A 35 -0.461 11.358 7.620 1.00 0.00 C ATOM 555 NZ LYS A 35 -1.451 11.464 8.731 1.00 0.00 N ATOM 0 H LYS A 35 -2.149 7.860 3.682 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.339 8.984 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.005 10.313 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.336 11.215 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.840 10.199 6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.497 9.318 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.465 11.512 5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.785 12.365 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.077 10.413 7.687 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.280 12.153 7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.316 12.366 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.415 11.425 8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.313 10.675 9.395 1.00 0.00 H new ATOM 569 N GLY A 36 -5.673 9.834 3.410 1.00 0.00 N ATOM 570 CA GLY A 36 -6.535 10.054 2.218 1.00 0.00 C ATOM 571 C GLY A 36 -7.911 10.538 2.675 1.00 0.00 C ATOM 572 O GLY A 36 -8.034 11.188 3.694 1.00 0.00 O ATOM 0 H GLY A 36 -6.068 10.152 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.079 10.790 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.632 9.129 1.649 1.00 0.00 H new ATOM 576 N GLU A 37 -8.951 10.223 1.935 1.00 0.00 N ATOM 577 CA GLU A 37 -10.325 10.663 2.337 1.00 0.00 C ATOM 578 C GLU A 37 -11.305 9.506 2.151 1.00 0.00 C ATOM 579 O GLU A 37 -11.172 8.708 1.247 1.00 0.00 O ATOM 580 CB GLU A 37 -10.768 11.841 1.470 1.00 0.00 C ATOM 581 CG GLU A 37 -9.872 13.048 1.747 1.00 0.00 C ATOM 582 CD GLU A 37 -10.508 14.303 1.143 1.00 0.00 C ATOM 583 OE1 GLU A 37 -11.659 14.227 0.744 1.00 0.00 O ATOM 584 OE2 GLU A 37 -9.836 15.320 1.094 1.00 0.00 O ATOM 0 H GLU A 37 -8.906 9.681 1.072 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.310 10.969 3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.714 11.570 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.808 12.091 1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.738 13.176 2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.883 12.886 1.319 1.00 0.00 H new ATOM 591 N LYS A 38 -12.290 9.415 3.003 1.00 0.00 N ATOM 592 CA LYS A 38 -13.288 8.315 2.894 1.00 0.00 C ATOM 593 C LYS A 38 -12.579 6.961 2.893 1.00 0.00 C ATOM 594 O LYS A 38 -12.727 6.169 1.985 1.00 0.00 O ATOM 595 CB LYS A 38 -14.110 8.478 1.617 1.00 0.00 C ATOM 596 CG LYS A 38 -14.942 9.754 1.736 1.00 0.00 C ATOM 597 CD LYS A 38 -15.963 9.823 0.604 1.00 0.00 C ATOM 598 CE LYS A 38 -15.260 10.075 -0.735 1.00 0.00 C ATOM 599 NZ LYS A 38 -16.274 10.447 -1.764 1.00 0.00 N ATOM 0 H LYS A 38 -12.446 10.062 3.776 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.958 8.361 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.454 8.533 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.759 7.615 1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.453 9.776 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.290 10.627 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.526 8.891 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.681 10.620 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.525 10.873 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.719 9.182 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.799 10.618 -2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.959 9.672 -1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.771 11.310 -1.465 1.00 0.00 H new ATOM 613 N LEU A 39 -11.820 6.684 3.920 1.00 0.00 N ATOM 614 CA LEU A 39 -11.108 5.377 4.006 1.00 0.00 C ATOM 615 C LEU A 39 -12.025 4.379 4.714 1.00 0.00 C ATOM 616 O LEU A 39 -11.805 4.011 5.851 1.00 0.00 O ATOM 617 CB LEU A 39 -9.809 5.570 4.799 1.00 0.00 C ATOM 618 CG LEU A 39 -8.726 6.139 3.877 1.00 0.00 C ATOM 619 CD1 LEU A 39 -9.253 7.395 3.184 1.00 0.00 C ATOM 620 CD2 LEU A 39 -7.484 6.496 4.700 1.00 0.00 C ATOM 0 H LEU A 39 -11.662 7.312 4.708 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.860 5.001 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.979 6.246 5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.482 4.618 5.218 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.463 5.392 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.482 7.799 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.135 7.143 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.519 8.140 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.715 6.900 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.747 7.241 5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.105 5.601 5.193 1.00 0.00 H new ATOM 632 N GLY A 40 -13.064 3.954 4.046 1.00 0.00 N ATOM 633 CA GLY A 40 -14.019 2.998 4.669 1.00 0.00 C ATOM 634 C GLY A 40 -13.543 1.563 4.457 1.00 0.00 C ATOM 635 O GLY A 40 -13.078 1.199 3.394 1.00 0.00 O ATOM 0 H GLY A 40 -13.292 4.231 3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.109 3.205 5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.010 3.128 4.235 1.00 0.00 H new ATOM 697 N GLN A 50 -7.750 -11.677 5.469 1.00 0.00 N ATOM 698 CA GLN A 50 -7.073 -10.495 4.855 1.00 0.00 C ATOM 699 C GLN A 50 -7.939 -9.256 5.072 1.00 0.00 C ATOM 700 O GLN A 50 -9.124 -9.363 5.320 1.00 0.00 O ATOM 701 CB GLN A 50 -6.871 -10.730 3.356 1.00 0.00 C ATOM 702 CG GLN A 50 -8.127 -11.353 2.751 1.00 0.00 C ATOM 703 CD GLN A 50 -7.896 -11.603 1.260 1.00 0.00 C ATOM 704 OE1 GLN A 50 -6.878 -11.040 0.666 1.00 0.00 O flip ATOM 705 NE2 GLN A 50 -8.646 -12.318 0.628 1.00 0.00 N flip ATOM 0 HA GLN A 50 -6.099 -10.349 5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.647 -9.786 2.858 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.016 -11.386 3.194 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.363 -12.289 3.257 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.981 -10.690 2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.441 -12.758 1.091 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.481 -12.479 -0.366 1.00 0.00 H new ATOM 714 N VAL A 51 -7.358 -8.081 4.984 1.00 0.00 N ATOM 715 CA VAL A 51 -8.156 -6.829 5.193 1.00 0.00 C ATOM 716 C VAL A 51 -7.954 -5.898 4.000 1.00 0.00 C ATOM 717 O VAL A 51 -6.846 -5.694 3.544 1.00 0.00 O ATOM 718 CB VAL A 51 -7.680 -6.135 6.466 1.00 0.00 C ATOM 719 CG1 VAL A 51 -8.420 -4.805 6.630 1.00 0.00 C ATOM 720 CG2 VAL A 51 -7.966 -7.037 7.666 1.00 0.00 C ATOM 0 H VAL A 51 -6.370 -7.935 4.777 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.213 -7.078 5.287 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.609 -5.943 6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.080 -4.309 7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.216 -4.167 5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.492 -4.991 6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.628 -6.546 8.579 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.037 -7.227 7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.437 -7.982 7.545 1.00 0.00 H new ATOM 730 N GLU A 52 -9.025 -5.330 3.493 1.00 0.00 N ATOM 731 CA GLU A 52 -8.920 -4.402 2.323 1.00 0.00 C ATOM 732 C GLU A 52 -9.416 -3.017 2.722 1.00 0.00 C ATOM 733 O GLU A 52 -10.233 -2.874 3.609 1.00 0.00 O ATOM 734 CB GLU A 52 -9.772 -4.934 1.168 1.00 0.00 C ATOM 735 CG GLU A 52 -9.156 -6.226 0.628 1.00 0.00 C ATOM 736 CD GLU A 52 -9.836 -6.605 -0.688 1.00 0.00 C ATOM 737 OE1 GLU A 52 -11.054 -6.586 -0.731 1.00 0.00 O ATOM 738 OE2 GLU A 52 -9.124 -6.897 -1.635 1.00 0.00 O ATOM 0 H GLU A 52 -9.972 -5.472 3.843 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.879 -4.338 2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.790 -5.120 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.833 -4.189 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.086 -6.093 0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.274 -7.029 1.355 1.00 0.00 H new ATOM 745 N VAL A 53 -8.921 -1.995 2.067 1.00 0.00 N ATOM 746 CA VAL A 53 -9.344 -0.599 2.389 1.00 0.00 C ATOM 747 C VAL A 53 -9.864 0.073 1.120 1.00 0.00 C ATOM 748 O VAL A 53 -9.269 -0.031 0.065 1.00 0.00 O ATOM 749 CB VAL A 53 -8.142 0.183 2.929 1.00 0.00 C ATOM 750 CG1 VAL A 53 -8.479 1.679 3.003 1.00 0.00 C ATOM 751 CG2 VAL A 53 -7.795 -0.332 4.330 1.00 0.00 C ATOM 0 H VAL A 53 -8.235 -2.071 1.316 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.132 -0.616 3.142 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.292 0.043 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.619 2.227 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.727 2.046 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.331 1.828 3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.940 0.221 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.650 -0.191 4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.548 -1.392 4.277 1.00 0.00 H new ATOM 761 N GLU A 54 -10.970 0.764 1.223 1.00 0.00 N ATOM 762 CA GLU A 54 -11.557 1.459 0.041 1.00 0.00 C ATOM 763 C GLU A 54 -11.476 2.968 0.265 1.00 0.00 C ATOM 764 O GLU A 54 -11.923 3.484 1.272 1.00 0.00 O ATOM 765 CB GLU A 54 -13.023 1.017 -0.098 1.00 0.00 C ATOM 766 CG GLU A 54 -13.809 1.985 -0.992 1.00 0.00 C ATOM 767 CD GLU A 54 -13.076 2.161 -2.320 1.00 0.00 C ATOM 768 OE1 GLU A 54 -12.456 1.206 -2.763 1.00 0.00 O ATOM 769 OE2 GLU A 54 -13.151 3.243 -2.878 1.00 0.00 O ATOM 0 H GLU A 54 -11.498 0.877 2.089 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.013 1.208 -0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.065 0.013 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.487 0.969 0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.814 1.600 -1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.919 2.949 -0.494 1.00 0.00 H new ATOM 776 N GLY A 55 -10.916 3.683 -0.673 1.00 0.00 N ATOM 777 CA GLY A 55 -10.816 5.157 -0.516 1.00 0.00 C ATOM 778 C GLY A 55 -9.706 5.689 -1.415 1.00 0.00 C ATOM 779 O GLY A 55 -8.930 4.937 -1.970 1.00 0.00 O ATOM 0 H GLY A 55 -10.525 3.309 -1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.765 5.626 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.609 5.410 0.524 1.00 0.00 H new ATOM 783 N LEU A 56 -9.626 6.982 -1.567 1.00 0.00 N ATOM 784 CA LEU A 56 -8.567 7.572 -2.432 1.00 0.00 C ATOM 785 C LEU A 56 -7.326 7.876 -1.594 1.00 0.00 C ATOM 786 O LEU A 56 -7.420 8.320 -0.467 1.00 0.00 O ATOM 787 CB LEU A 56 -9.092 8.865 -3.072 1.00 0.00 C ATOM 788 CG LEU A 56 -9.729 9.797 -2.000 1.00 0.00 C ATOM 789 CD1 LEU A 56 -9.393 11.266 -2.312 1.00 0.00 C ATOM 790 CD2 LEU A 56 -11.262 9.633 -1.993 1.00 0.00 C ATOM 0 H LEU A 56 -10.251 7.658 -1.127 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.302 6.862 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.275 9.385 -3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.832 8.623 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.326 9.523 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.843 11.910 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.311 11.401 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.786 11.529 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.695 10.290 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.660 9.894 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.516 8.599 -1.762 1.00 0.00 H new ATOM 802 N ILE A 57 -6.156 7.641 -2.130 1.00 0.00 N ATOM 803 CA ILE A 57 -4.911 7.920 -1.359 1.00 0.00 C ATOM 804 C ILE A 57 -4.401 9.321 -1.693 1.00 0.00 C ATOM 805 O ILE A 57 -4.001 9.595 -2.808 1.00 0.00 O ATOM 806 CB ILE A 57 -3.848 6.884 -1.729 1.00 0.00 C ATOM 807 CG1 ILE A 57 -4.299 5.512 -1.218 1.00 0.00 C ATOM 808 CG2 ILE A 57 -2.506 7.260 -1.093 1.00 0.00 C ATOM 809 CD1 ILE A 57 -3.347 4.427 -1.722 1.00 0.00 C ATOM 0 H ILE A 57 -6.011 7.268 -3.068 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.122 7.863 -0.291 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.724 6.854 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.321 5.510 -0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.313 5.304 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.755 6.517 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.193 8.239 -1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.613 7.292 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.675 3.455 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.347 4.421 -2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.339 4.630 -1.360 1.00 0.00 H new ATOM 821 N ASP A 58 -4.397 10.203 -0.729 1.00 0.00 N ATOM 822 CA ASP A 58 -3.897 11.586 -0.975 1.00 0.00 C ATOM 823 C ASP A 58 -2.454 11.675 -0.476 1.00 0.00 C ATOM 824 O ASP A 58 -1.684 12.496 -0.928 1.00 0.00 O ATOM 825 CB ASP A 58 -4.778 12.589 -0.212 1.00 0.00 C ATOM 826 CG ASP A 58 -4.698 13.969 -0.873 1.00 0.00 C ATOM 827 OD1 ASP A 58 -3.772 14.700 -0.562 1.00 0.00 O ATOM 828 OD2 ASP A 58 -5.566 14.271 -1.674 1.00 0.00 O ATOM 0 H ASP A 58 -4.720 10.024 0.222 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.935 11.820 -2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.811 12.242 -0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.452 12.655 0.826 1.00 0.00 H new ATOM 833 N ALA A 59 -2.071 10.832 0.451 1.00 0.00 N ATOM 834 CA ALA A 59 -0.669 10.897 0.948 1.00 0.00 C ATOM 835 C ALA A 59 -0.270 9.594 1.641 1.00 0.00 C ATOM 836 O ALA A 59 -1.091 8.893 2.199 1.00 0.00 O ATOM 837 CB ALA A 59 -0.526 12.066 1.929 1.00 0.00 C ATOM 0 H ALA A 59 -2.659 10.115 0.877 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.009 11.047 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.501 12.113 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.774 12.999 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.202 11.919 2.771 1.00 0.00 H new ATOM 843 N LEU A 60 1.003 9.278 1.614 1.00 0.00 N ATOM 844 CA LEU A 60 1.506 8.034 2.275 1.00 0.00 C ATOM 845 C LEU A 60 2.700 8.391 3.162 1.00 0.00 C ATOM 846 O LEU A 60 3.615 9.062 2.733 1.00 0.00 O ATOM 847 CB LEU A 60 1.944 7.024 1.180 1.00 0.00 C ATOM 848 CG LEU A 60 1.126 5.723 1.267 1.00 0.00 C ATOM 849 CD1 LEU A 60 1.409 5.005 2.605 1.00 0.00 C ATOM 850 CD2 LEU A 60 -0.378 6.044 1.124 1.00 0.00 C ATOM 0 H LEU A 60 1.723 9.837 1.156 1.00 0.00 H new ATOM 0 HA LEU A 60 0.723 7.587 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.816 7.473 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.005 6.799 1.292 1.00 0.00 H new ATOM 0 HG LEU A 60 1.419 5.057 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.825 4.086 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.470 4.765 2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.132 5.657 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.955 5.121 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.684 6.717 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.558 6.520 0.160 1.00 0.00 H new ATOM 862 N VAL A 61 2.703 7.928 4.388 1.00 0.00 N ATOM 863 CA VAL A 61 3.851 8.222 5.299 1.00 0.00 C ATOM 864 C VAL A 61 4.347 6.924 5.933 1.00 0.00 C ATOM 865 O VAL A 61 3.591 6.164 6.507 1.00 0.00 O ATOM 866 CB VAL A 61 3.393 9.198 6.384 1.00 0.00 C ATOM 867 CG1 VAL A 61 4.471 9.317 7.467 1.00 0.00 C ATOM 868 CG2 VAL A 61 3.153 10.569 5.747 1.00 0.00 C ATOM 0 H VAL A 61 1.961 7.360 4.796 1.00 0.00 H new ATOM 0 HA VAL A 61 4.667 8.671 4.733 1.00 0.00 H new ATOM 0 HB VAL A 61 2.473 8.833 6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.138 10.014 8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.647 8.339 7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.396 9.683 7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.826 11.273 6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.078 10.927 5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.384 10.484 4.979 1.00 0.00 H new ATOM 878 N TYR A 62 5.626 6.686 5.850 1.00 0.00 N ATOM 879 CA TYR A 62 6.220 5.463 6.457 1.00 0.00 C ATOM 880 C TYR A 62 7.615 5.833 6.985 1.00 0.00 C ATOM 881 O TYR A 62 8.311 6.588 6.340 1.00 0.00 O ATOM 882 CB TYR A 62 6.355 4.372 5.384 1.00 0.00 C ATOM 883 CG TYR A 62 7.204 3.236 5.912 1.00 0.00 C ATOM 884 CD1 TYR A 62 8.602 3.345 5.905 1.00 0.00 C ATOM 885 CD2 TYR A 62 6.598 2.078 6.411 1.00 0.00 C ATOM 886 CE1 TYR A 62 9.387 2.294 6.389 1.00 0.00 C ATOM 887 CE2 TYR A 62 7.384 1.027 6.896 1.00 0.00 C ATOM 888 CZ TYR A 62 8.778 1.139 6.885 1.00 0.00 C ATOM 889 OH TYR A 62 9.556 0.106 7.360 1.00 0.00 O ATOM 0 H TYR A 62 6.295 7.297 5.380 1.00 0.00 H new ATOM 0 HA TYR A 62 5.589 5.091 7.264 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.369 4.001 5.103 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.807 4.788 4.484 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.072 4.240 5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.521 1.995 6.422 1.00 0.00 H new ATOM 0 HE1 TYR A 62 10.464 2.375 6.379 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.916 0.132 7.278 1.00 0.00 H new ATOM 0 HH TYR A 62 10.391 0.466 7.725 1.00 0.00 H new ATOM 899 N PRO A 63 8.048 5.315 8.119 1.00 0.00 N ATOM 900 CA PRO A 63 9.409 5.628 8.654 1.00 0.00 C ATOM 901 C PRO A 63 10.502 5.458 7.583 1.00 0.00 C ATOM 902 O PRO A 63 11.220 4.481 7.550 1.00 0.00 O ATOM 903 CB PRO A 63 9.597 4.620 9.799 1.00 0.00 C ATOM 904 CG PRO A 63 8.212 4.292 10.257 1.00 0.00 C ATOM 905 CD PRO A 63 7.309 4.402 9.020 1.00 0.00 C ATOM 0 HA PRO A 63 9.492 6.664 8.982 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.121 3.728 9.457 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.189 5.048 10.608 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.170 3.288 10.680 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.888 4.981 11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.146 3.429 8.557 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.328 4.801 9.276 1.00 0.00 H new ATOM 913 N LEU A 64 10.620 6.416 6.709 1.00 0.00 N ATOM 914 CA LEU A 64 11.643 6.351 5.630 1.00 0.00 C ATOM 915 C LEU A 64 13.035 6.291 6.260 1.00 0.00 C ATOM 916 O LEU A 64 14.014 6.007 5.600 1.00 0.00 O ATOM 917 CB LEU A 64 11.477 7.615 4.760 1.00 0.00 C ATOM 918 CG LEU A 64 12.768 7.938 3.969 1.00 0.00 C ATOM 919 CD1 LEU A 64 12.412 8.798 2.739 1.00 0.00 C ATOM 920 CD2 LEU A 64 13.804 8.691 4.857 1.00 0.00 C ATOM 0 H LEU A 64 10.041 7.256 6.696 1.00 0.00 H new ATOM 0 HA LEU A 64 11.518 5.462 5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.650 7.472 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.217 8.462 5.395 1.00 0.00 H new ATOM 0 HG LEU A 64 13.219 6.999 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 64 13.319 9.027 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.721 8.250 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.944 9.726 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 64 14.699 8.903 4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.370 9.627 5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.069 8.070 5.713 1.00 0.00 H new ATOM 1082 N ASN B 3 6.409 -12.937 6.890 1.00 0.00 N ATOM 1083 CA ASN B 3 6.478 -11.480 6.580 1.00 0.00 C ATOM 1084 C ASN B 3 6.087 -11.262 5.114 1.00 0.00 C ATOM 1085 O ASN B 3 6.267 -10.196 4.563 1.00 0.00 O ATOM 1086 CB ASN B 3 7.910 -10.985 6.818 1.00 0.00 C ATOM 1087 CG ASN B 3 8.906 -11.883 6.076 1.00 0.00 C ATOM 1088 OD1 ASN B 3 9.551 -11.410 5.045 1.00 0.00 O flip ATOM 1089 ND2 ASN B 3 9.100 -13.024 6.440 1.00 0.00 N flip ATOM 0 HA ASN B 3 5.794 -10.926 7.222 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.010 -9.956 6.474 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.131 -10.987 7.885 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.596 -13.395 7.246 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.767 -13.612 5.940 1.00 0.00 H new ATOM 1096 N ARG B 4 5.550 -12.270 4.476 1.00 0.00 N ATOM 1097 CA ARG B 4 5.146 -12.120 3.046 1.00 0.00 C ATOM 1098 C ARG B 4 3.743 -11.525 2.974 1.00 0.00 C ATOM 1099 O ARG B 4 2.868 -11.888 3.732 1.00 0.00 O ATOM 1100 CB ARG B 4 5.151 -13.494 2.368 1.00 0.00 C ATOM 1101 CG ARG B 4 6.538 -14.142 2.489 1.00 0.00 C ATOM 1102 CD ARG B 4 7.523 -13.499 1.503 1.00 0.00 C ATOM 1103 NE ARG B 4 6.965 -13.570 0.126 1.00 0.00 N ATOM 1104 CZ ARG B 4 6.915 -14.713 -0.499 1.00 0.00 C ATOM 1105 NH1 ARG B 4 7.355 -15.794 0.083 1.00 0.00 N ATOM 1106 NH2 ARG B 4 6.423 -14.774 -1.706 1.00 0.00 N ATOM 0 H ARG B 4 5.374 -13.189 4.883 1.00 0.00 H new ATOM 0 HA ARG B 4 5.848 -11.460 2.537 1.00 0.00 H new ATOM 0 HB2 ARG B 4 4.400 -14.137 2.828 1.00 0.00 H new ATOM 0 HB3 ARG B 4 4.881 -13.390 1.317 1.00 0.00 H new ATOM 0 HG2 ARG B 4 6.910 -14.030 3.508 1.00 0.00 H new ATOM 0 HG3 ARG B 4 6.464 -15.212 2.292 1.00 0.00 H new ATOM 0 HD2 ARG B 4 7.705 -12.461 1.780 1.00 0.00 H new ATOM 0 HD3 ARG B 4 8.483 -14.013 1.545 1.00 0.00 H new ATOM 0 HE ARG B 4 6.621 -12.724 -0.329 1.00 0.00 H new ATOM 0 HH11 ARG B 4 7.738 -15.745 1.027 1.00 0.00 H new ATOM 0 HH12 ARG B 4 7.316 -16.688 -0.406 1.00 0.00 H new ATOM 0 HH21 ARG B 4 6.078 -13.928 -2.159 1.00 0.00 H new ATOM 0 HH22 ARG B 4 6.383 -15.668 -2.196 1.00 0.00 H new ATOM 1120 N GLN B 5 3.520 -10.609 2.066 1.00 0.00 N ATOM 1121 CA GLN B 5 2.172 -9.984 1.948 1.00 0.00 C ATOM 1122 C GLN B 5 1.832 -9.759 0.482 1.00 0.00 C ATOM 1123 O GLN B 5 2.702 -9.587 -0.349 1.00 0.00 O ATOM 1124 CB GLN B 5 2.187 -8.640 2.671 1.00 0.00 C ATOM 1125 CG GLN B 5 2.377 -8.878 4.165 1.00 0.00 C ATOM 1126 CD GLN B 5 2.327 -7.542 4.907 1.00 0.00 C ATOM 1127 OE1 GLN B 5 2.461 -6.431 4.236 1.00 0.00 O flip ATOM 1128 NE2 GLN B 5 2.166 -7.510 6.110 1.00 0.00 N flip ATOM 0 H GLN B 5 4.215 -10.268 1.402 1.00 0.00 H new ATOM 0 HA GLN B 5 1.425 -10.642 2.392 1.00 0.00 H new ATOM 0 HB2 GLN B 5 2.992 -8.014 2.285 1.00 0.00 H new ATOM 0 HB3 GLN B 5 1.254 -8.106 2.491 1.00 0.00 H new ATOM 0 HG2 GLN B 5 1.599 -9.543 4.540 1.00 0.00 H new ATOM 0 HG3 GLN B 5 3.332 -9.371 4.347 1.00 0.00 H new ATOM 0 HE21 GLN B 5 2.061 -8.379 6.634 1.00 0.00 H new ATOM 0 HE22 GLN B 5 2.135 -6.614 6.597 1.00 0.00 H new ATOM 1137 N PHE B 6 0.565 -9.740 0.165 1.00 0.00 N ATOM 1138 CA PHE B 6 0.134 -9.508 -1.240 1.00 0.00 C ATOM 1139 C PHE B 6 -0.470 -8.111 -1.310 1.00 0.00 C ATOM 1140 O PHE B 6 -1.441 -7.825 -0.638 1.00 0.00 O ATOM 1141 CB PHE B 6 -0.929 -10.540 -1.610 1.00 0.00 C ATOM 1142 CG PHE B 6 -0.426 -11.920 -1.253 1.00 0.00 C ATOM 1143 CD1 PHE B 6 0.579 -12.522 -2.021 1.00 0.00 C ATOM 1144 CD2 PHE B 6 -0.964 -12.597 -0.151 1.00 0.00 C ATOM 1145 CE1 PHE B 6 1.044 -13.800 -1.686 1.00 0.00 C ATOM 1146 CE2 PHE B 6 -0.498 -13.873 0.185 1.00 0.00 C ATOM 1147 CZ PHE B 6 0.507 -14.476 -0.585 1.00 0.00 C ATOM 0 H PHE B 6 -0.197 -9.877 0.829 1.00 0.00 H new ATOM 0 HA PHE B 6 0.975 -9.597 -1.927 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -1.858 -10.330 -1.079 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -1.151 -10.485 -2.676 1.00 0.00 H new ATOM 0 HD1 PHE B 6 0.995 -12.001 -2.871 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -1.740 -12.133 0.440 1.00 0.00 H new ATOM 0 HE1 PHE B 6 1.818 -14.264 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -0.912 -14.393 1.036 1.00 0.00 H new ATOM 0 HZ PHE B 6 0.866 -15.462 -0.328 1.00 0.00 H new ATOM 1157 N LEU B 7 0.091 -7.235 -2.103 1.00 0.00 N ATOM 1158 CA LEU B 7 -0.458 -5.847 -2.194 1.00 0.00 C ATOM 1159 C LEU B 7 -1.145 -5.689 -3.543 1.00 0.00 C ATOM 1160 O LEU B 7 -0.536 -5.866 -4.578 1.00 0.00 O ATOM 1161 CB LEU B 7 0.695 -4.844 -2.080 1.00 0.00 C ATOM 1162 CG LEU B 7 0.147 -3.425 -1.833 1.00 0.00 C ATOM 1163 CD1 LEU B 7 1.292 -2.520 -1.367 1.00 0.00 C ATOM 1164 CD2 LEU B 7 -0.495 -2.849 -3.114 1.00 0.00 C ATOM 0 H LEU B 7 0.904 -7.419 -2.691 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.172 -5.665 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.358 -5.132 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.290 -4.858 -2.993 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.624 -3.473 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.912 -1.514 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.716 -2.915 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU B 7 2.065 -2.486 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.874 -1.847 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.252 -2.802 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.318 -3.491 -3.429 1.00 0.00 H new ATOM 1176 N SER B 8 -2.413 -5.361 -3.535 1.00 0.00 N ATOM 1177 CA SER B 8 -3.166 -5.194 -4.818 1.00 0.00 C ATOM 1178 C SER B 8 -3.600 -3.740 -4.983 1.00 0.00 C ATOM 1179 O SER B 8 -4.056 -3.107 -4.052 1.00 0.00 O ATOM 1180 CB SER B 8 -4.391 -6.107 -4.808 1.00 0.00 C ATOM 1181 OG SER B 8 -5.463 -5.450 -4.145 1.00 0.00 O ATOM 0 H SER B 8 -2.962 -5.201 -2.691 1.00 0.00 H new ATOM 0 HA SER B 8 -2.521 -5.463 -5.654 1.00 0.00 H new ATOM 0 HB2 SER B 8 -4.679 -6.358 -5.829 1.00 0.00 H new ATOM 0 HB3 SER B 8 -4.156 -7.044 -4.303 1.00 0.00 H new ATOM 0 HG SER B 8 -6.250 -6.033 -4.139 1.00 0.00 H new ATOM 1187 N LEU B 9 -3.462 -3.208 -6.170 1.00 0.00 N ATOM 1188 CA LEU B 9 -3.865 -1.793 -6.412 1.00 0.00 C ATOM 1189 C LEU B 9 -4.333 -1.641 -7.861 1.00 0.00 C ATOM 1190 O LEU B 9 -3.859 -2.323 -8.751 1.00 0.00 O ATOM 1191 CB LEU B 9 -2.667 -0.865 -6.162 1.00 0.00 C ATOM 1192 CG LEU B 9 -3.146 0.596 -6.034 1.00 0.00 C ATOM 1193 CD1 LEU B 9 -3.594 0.887 -4.593 1.00 0.00 C ATOM 1194 CD2 LEU B 9 -2.002 1.549 -6.402 1.00 0.00 C ATOM 0 H LEU B 9 -3.086 -3.695 -6.984 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.676 -1.526 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -2.147 -1.166 -5.253 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.953 -0.951 -6.981 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.988 0.746 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.929 1.921 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.413 0.220 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -2.758 0.726 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -2.344 2.580 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -1.161 1.384 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -1.688 1.361 -7.429 1.00 0.00 H new ATOM 1206 N THR B 10 -5.267 -0.754 -8.107 1.00 0.00 N ATOM 1207 CA THR B 10 -5.770 -0.557 -9.500 1.00 0.00 C ATOM 1208 C THR B 10 -6.049 0.926 -9.758 1.00 0.00 C ATOM 1209 O THR B 10 -6.138 1.721 -8.844 1.00 0.00 O ATOM 1210 CB THR B 10 -7.059 -1.359 -9.684 1.00 0.00 C ATOM 1211 OG1 THR B 10 -7.443 -1.316 -11.050 1.00 0.00 O ATOM 1212 CG2 THR B 10 -8.171 -0.764 -8.818 1.00 0.00 C ATOM 0 H THR B 10 -5.702 -0.159 -7.402 1.00 0.00 H new ATOM 0 HA THR B 10 -5.014 -0.900 -10.206 1.00 0.00 H new ATOM 0 HB THR B 10 -6.890 -2.393 -9.382 1.00 0.00 H new ATOM 0 HG1 THR B 10 -8.268 -1.830 -11.174 1.00 0.00 H new ATOM 0 HG21 THR B 10 -9.086 -1.340 -8.954 1.00 0.00 H new ATOM 0 HG22 THR B 10 -7.873 -0.798 -7.770 1.00 0.00 H new ATOM 0 HG23 THR B 10 -8.347 0.271 -9.112 1.00 0.00 H new ATOM 1220 N GLY B 11 -6.195 1.300 -11.005 1.00 0.00 N ATOM 1221 CA GLY B 11 -6.474 2.727 -11.337 1.00 0.00 C ATOM 1222 C GLY B 11 -5.161 3.508 -11.393 1.00 0.00 C ATOM 1223 O GLY B 11 -5.138 4.714 -11.263 1.00 0.00 O ATOM 0 H GLY B 11 -6.132 0.675 -11.808 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -6.989 2.794 -12.295 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -7.136 3.162 -10.588 1.00 0.00 H new ATOM 1227 N VAL B 12 -4.063 2.829 -11.578 1.00 0.00 N ATOM 1228 CA VAL B 12 -2.751 3.533 -11.627 1.00 0.00 C ATOM 1229 C VAL B 12 -2.738 4.563 -12.764 1.00 0.00 C ATOM 1230 O VAL B 12 -3.280 4.341 -13.827 1.00 0.00 O ATOM 1231 CB VAL B 12 -1.633 2.506 -11.852 1.00 0.00 C ATOM 1232 CG1 VAL B 12 -1.722 1.934 -13.270 1.00 0.00 C ATOM 1233 CG2 VAL B 12 -0.271 3.180 -11.661 1.00 0.00 C ATOM 0 H VAL B 12 -4.017 1.817 -11.697 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.592 4.053 -10.682 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.746 1.696 -11.131 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.924 1.206 -13.420 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.688 1.447 -13.406 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.617 2.741 -13.995 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.522 2.450 -11.821 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.164 3.994 -12.378 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.200 3.576 -10.648 1.00 0.00 H new ATOM 1243 N SER B 13 -2.119 5.693 -12.536 1.00 0.00 N ATOM 1244 CA SER B 13 -2.060 6.738 -13.593 1.00 0.00 C ATOM 1245 C SER B 13 -1.087 6.284 -14.682 1.00 0.00 C ATOM 1246 O SER B 13 -1.332 6.460 -15.859 1.00 0.00 O ATOM 1247 CB SER B 13 -1.561 8.045 -12.979 1.00 0.00 C ATOM 1248 OG SER B 13 -2.336 8.346 -11.826 1.00 0.00 O ATOM 0 H SER B 13 -1.652 5.934 -11.662 1.00 0.00 H new ATOM 0 HA SER B 13 -3.050 6.892 -14.022 1.00 0.00 H new ATOM 0 HB2 SER B 13 -0.508 7.956 -12.711 1.00 0.00 H new ATOM 0 HB3 SER B 13 -1.638 8.854 -13.705 1.00 0.00 H new ATOM 0 HG SER B 13 -2.018 9.183 -11.428 1.00 0.00 H new ATOM 1254 N LYS B 14 0.015 5.688 -14.302 1.00 0.00 N ATOM 1255 CA LYS B 14 0.990 5.215 -15.329 1.00 0.00 C ATOM 1256 C LYS B 14 2.094 4.387 -14.662 1.00 0.00 C ATOM 1257 O LYS B 14 2.291 4.443 -13.462 1.00 0.00 O ATOM 1258 CB LYS B 14 1.610 6.429 -16.051 1.00 0.00 C ATOM 1259 CG LYS B 14 2.814 6.959 -15.261 1.00 0.00 C ATOM 1260 CD LYS B 14 3.150 8.380 -15.699 1.00 0.00 C ATOM 1261 CE LYS B 14 3.727 8.362 -17.116 1.00 0.00 C ATOM 1262 NZ LYS B 14 4.230 9.719 -17.465 1.00 0.00 N ATOM 0 H LYS B 14 0.280 5.510 -13.333 1.00 0.00 H new ATOM 0 HA LYS B 14 0.470 4.590 -16.055 1.00 0.00 H new ATOM 0 HB2 LYS B 14 1.922 6.143 -17.055 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.864 7.216 -16.161 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.593 6.943 -14.194 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.675 6.310 -15.418 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.255 9.001 -15.669 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.869 8.823 -15.009 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.536 7.635 -17.181 1.00 0.00 H new ATOM 0 HE3 LYS B 14 2.962 8.052 -17.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.622 9.707 -18.428 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.447 10.402 -17.419 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.973 9.998 -16.792 1.00 0.00 H new ATOM 1276 N VAL B 15 2.833 3.640 -15.440 1.00 0.00 N ATOM 1277 CA VAL B 15 3.945 2.829 -14.870 1.00 0.00 C ATOM 1278 C VAL B 15 5.265 3.587 -15.028 1.00 0.00 C ATOM 1279 O VAL B 15 5.868 3.589 -16.084 1.00 0.00 O ATOM 1280 CB VAL B 15 4.018 1.491 -15.603 1.00 0.00 C ATOM 1281 CG1 VAL B 15 5.198 0.674 -15.071 1.00 0.00 C ATOM 1282 CG2 VAL B 15 2.719 0.719 -15.361 1.00 0.00 C ATOM 0 H VAL B 15 2.712 3.558 -16.449 1.00 0.00 H new ATOM 0 HA VAL B 15 3.765 2.649 -13.810 1.00 0.00 H new ATOM 0 HB VAL B 15 4.154 1.667 -16.670 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.247 -0.280 -15.596 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.124 1.225 -15.233 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.064 0.494 -14.004 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.762 -0.238 -15.881 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.592 0.546 -14.292 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.876 1.298 -15.737 1.00 0.00 H new ATOM 1292 N GLN B 16 5.719 4.230 -13.986 1.00 0.00 N ATOM 1293 CA GLN B 16 6.998 4.984 -14.069 1.00 0.00 C ATOM 1294 C GLN B 16 8.147 3.999 -14.293 1.00 0.00 C ATOM 1295 O GLN B 16 9.062 4.255 -15.048 1.00 0.00 O ATOM 1296 CB GLN B 16 7.214 5.738 -12.757 1.00 0.00 C ATOM 1297 CG GLN B 16 8.488 6.580 -12.840 1.00 0.00 C ATOM 1298 CD GLN B 16 8.598 7.456 -11.590 1.00 0.00 C ATOM 1299 OE1 GLN B 16 8.705 6.955 -10.492 1.00 0.00 O ATOM 1300 NE2 GLN B 16 8.568 8.753 -11.713 1.00 0.00 N ATOM 0 H GLN B 16 5.255 4.264 -13.078 1.00 0.00 H new ATOM 0 HA GLN B 16 6.963 5.693 -14.896 1.00 0.00 H new ATOM 0 HB2 GLN B 16 6.357 6.380 -12.552 1.00 0.00 H new ATOM 0 HB3 GLN B 16 7.289 5.032 -11.930 1.00 0.00 H new ATOM 0 HG2 GLN B 16 9.361 5.932 -12.922 1.00 0.00 H new ATOM 0 HG3 GLN B 16 8.468 7.203 -13.734 1.00 0.00 H new ATOM 0 HE21 GLN B 16 8.478 9.176 -12.637 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.635 9.345 -10.885 1.00 0.00 H new ATOM 1309 N SER B 17 8.098 2.866 -13.648 1.00 0.00 N ATOM 1310 CA SER B 17 9.178 1.859 -13.829 1.00 0.00 C ATOM 1311 C SER B 17 8.790 0.569 -13.114 1.00 0.00 C ATOM 1312 O SER B 17 8.060 0.591 -12.141 1.00 0.00 O ATOM 1313 CB SER B 17 10.487 2.389 -13.237 1.00 0.00 C ATOM 1314 OG SER B 17 11.507 1.417 -13.425 1.00 0.00 O ATOM 0 H SER B 17 7.356 2.595 -13.003 1.00 0.00 H new ATOM 0 HA SER B 17 9.315 1.666 -14.893 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.766 3.326 -13.719 1.00 0.00 H new ATOM 0 HB3 SER B 17 10.361 2.602 -12.175 1.00 0.00 H new ATOM 0 HG SER B 17 11.623 0.901 -12.600 1.00 0.00 H new ATOM 1320 N PHE B 18 9.277 -0.552 -13.579 1.00 0.00 N ATOM 1321 CA PHE B 18 8.950 -1.855 -12.928 1.00 0.00 C ATOM 1322 C PHE B 18 10.235 -2.672 -12.759 1.00 0.00 C ATOM 1323 O PHE B 18 10.770 -3.206 -13.708 1.00 0.00 O ATOM 1324 CB PHE B 18 7.943 -2.617 -13.806 1.00 0.00 C ATOM 1325 CG PHE B 18 7.955 -4.097 -13.466 1.00 0.00 C ATOM 1326 CD1 PHE B 18 7.513 -4.535 -12.213 1.00 0.00 C ATOM 1327 CD2 PHE B 18 8.430 -5.026 -14.403 1.00 0.00 C ATOM 1328 CE1 PHE B 18 7.541 -5.900 -11.898 1.00 0.00 C ATOM 1329 CE2 PHE B 18 8.461 -6.388 -14.087 1.00 0.00 C ATOM 1330 CZ PHE B 18 8.017 -6.825 -12.833 1.00 0.00 C ATOM 0 H PHE B 18 9.893 -0.621 -14.389 1.00 0.00 H new ATOM 0 HA PHE B 18 8.509 -1.684 -11.946 1.00 0.00 H new ATOM 0 HB2 PHE B 18 6.942 -2.212 -13.657 1.00 0.00 H new ATOM 0 HB3 PHE B 18 8.190 -2.477 -14.858 1.00 0.00 H new ATOM 0 HD1 PHE B 18 7.150 -3.821 -11.488 1.00 0.00 H new ATOM 0 HD2 PHE B 18 8.772 -4.689 -15.370 1.00 0.00 H new ATOM 0 HE1 PHE B 18 7.195 -6.238 -10.933 1.00 0.00 H new ATOM 0 HE2 PHE B 18 8.827 -7.102 -14.810 1.00 0.00 H new ATOM 0 HZ PHE B 18 8.042 -7.876 -12.588 1.00 0.00 H new ATOM 1340 N ASP B 19 10.705 -2.797 -11.544 1.00 0.00 N ATOM 1341 CA ASP B 19 11.929 -3.606 -11.273 1.00 0.00 C ATOM 1342 C ASP B 19 11.640 -4.500 -10.054 1.00 0.00 C ATOM 1343 O ASP B 19 10.922 -4.101 -9.160 1.00 0.00 O ATOM 1344 CB ASP B 19 13.114 -2.664 -10.979 1.00 0.00 C ATOM 1345 CG ASP B 19 12.943 -1.364 -11.768 1.00 0.00 C ATOM 1346 OD1 ASP B 19 12.266 -0.479 -11.272 1.00 0.00 O ATOM 1347 OD2 ASP B 19 13.489 -1.277 -12.855 1.00 0.00 O ATOM 0 H ASP B 19 10.287 -2.367 -10.719 1.00 0.00 H new ATOM 0 HA ASP B 19 12.187 -4.222 -12.135 1.00 0.00 H new ATOM 0 HB2 ASP B 19 13.165 -2.450 -9.912 1.00 0.00 H new ATOM 0 HB3 ASP B 19 14.052 -3.147 -11.253 1.00 0.00 H new ATOM 1352 N PRO B 20 12.178 -5.695 -10.007 1.00 0.00 N ATOM 1353 CA PRO B 20 11.946 -6.623 -8.858 1.00 0.00 C ATOM 1354 C PRO B 20 12.618 -6.111 -7.581 1.00 0.00 C ATOM 1355 O PRO B 20 12.279 -6.509 -6.483 1.00 0.00 O ATOM 1356 CB PRO B 20 12.566 -7.950 -9.326 1.00 0.00 C ATOM 1357 CG PRO B 20 13.589 -7.560 -10.347 1.00 0.00 C ATOM 1358 CD PRO B 20 13.063 -6.290 -11.021 1.00 0.00 C ATOM 0 HA PRO B 20 10.890 -6.720 -8.605 1.00 0.00 H new ATOM 0 HB2 PRO B 20 13.023 -8.487 -8.495 1.00 0.00 H new ATOM 0 HB3 PRO B 20 11.811 -8.609 -9.755 1.00 0.00 H new ATOM 0 HG2 PRO B 20 14.556 -7.379 -9.878 1.00 0.00 H new ATOM 0 HG3 PRO B 20 13.733 -8.356 -11.077 1.00 0.00 H new ATOM 0 HD2 PRO B 20 13.875 -5.614 -11.290 1.00 0.00 H new ATOM 0 HD3 PRO B 20 12.522 -6.519 -11.939 1.00 0.00 H new ATOM 1366 N LYS B 21 13.569 -5.226 -7.722 1.00 0.00 N ATOM 1367 CA LYS B 21 14.273 -4.670 -6.532 1.00 0.00 C ATOM 1368 C LYS B 21 13.659 -3.313 -6.188 1.00 0.00 C ATOM 1369 O LYS B 21 13.969 -2.715 -5.179 1.00 0.00 O ATOM 1370 CB LYS B 21 15.753 -4.492 -6.867 1.00 0.00 C ATOM 1371 CG LYS B 21 16.398 -5.864 -7.088 1.00 0.00 C ATOM 1372 CD LYS B 21 17.918 -5.711 -7.236 1.00 0.00 C ATOM 1373 CE LYS B 21 18.253 -4.983 -8.541 1.00 0.00 C ATOM 1374 NZ LYS B 21 19.699 -5.171 -8.854 1.00 0.00 N ATOM 0 H LYS B 21 13.890 -4.862 -8.619 1.00 0.00 H new ATOM 0 HA LYS B 21 14.172 -5.346 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS B 21 15.863 -3.879 -7.762 1.00 0.00 H new ATOM 0 HB3 LYS B 21 16.259 -3.967 -6.057 1.00 0.00 H new ATOM 0 HG2 LYS B 21 16.170 -6.522 -6.249 1.00 0.00 H new ATOM 0 HG3 LYS B 21 15.982 -6.331 -7.981 1.00 0.00 H new ATOM 0 HD2 LYS B 21 18.319 -5.155 -6.388 1.00 0.00 H new ATOM 0 HD3 LYS B 21 18.392 -6.692 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS B 21 17.640 -5.371 -9.355 1.00 0.00 H new ATOM 0 HE3 LYS B 21 18.025 -3.921 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 19.929 -4.678 -9.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 20.275 -4.781 -8.081 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 19.902 -6.185 -8.960 1.00 0.00 H new ATOM 1388 N GLU B 22 12.782 -2.828 -7.022 1.00 0.00 N ATOM 1389 CA GLU B 22 12.136 -1.519 -6.751 1.00 0.00 C ATOM 1390 C GLU B 22 11.044 -1.270 -7.787 1.00 0.00 C ATOM 1391 O GLU B 22 11.266 -1.422 -8.971 1.00 0.00 O ATOM 1392 CB GLU B 22 13.182 -0.396 -6.821 1.00 0.00 C ATOM 1393 CG GLU B 22 12.483 0.963 -6.715 1.00 0.00 C ATOM 1394 CD GLU B 22 13.507 2.047 -6.367 1.00 0.00 C ATOM 1395 OE1 GLU B 22 14.580 2.032 -6.948 1.00 0.00 O ATOM 1396 OE2 GLU B 22 13.199 2.874 -5.524 1.00 0.00 O ATOM 0 H GLU B 22 12.485 -3.286 -7.883 1.00 0.00 H new ATOM 0 HA GLU B 22 11.696 -1.533 -5.754 1.00 0.00 H new ATOM 0 HB2 GLU B 22 13.906 -0.508 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU B 22 13.737 -0.459 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU B 22 11.991 1.204 -7.657 1.00 0.00 H new ATOM 0 HG3 GLU B 22 11.707 0.924 -5.951 1.00 0.00 H new ATOM 1403 N ILE B 23 9.869 -0.879 -7.356 1.00 0.00 N ATOM 1404 CA ILE B 23 8.757 -0.604 -8.323 1.00 0.00 C ATOM 1405 C ILE B 23 8.219 0.804 -8.085 1.00 0.00 C ATOM 1406 O ILE B 23 7.890 1.167 -6.974 1.00 0.00 O ATOM 1407 CB ILE B 23 7.635 -1.623 -8.118 1.00 0.00 C ATOM 1408 CG1 ILE B 23 8.151 -3.015 -8.491 1.00 0.00 C ATOM 1409 CG2 ILE B 23 6.435 -1.255 -9.000 1.00 0.00 C ATOM 1410 CD1 ILE B 23 7.127 -4.066 -8.069 1.00 0.00 C ATOM 0 H ILE B 23 9.631 -0.738 -6.374 1.00 0.00 H new ATOM 0 HA ILE B 23 9.133 -0.684 -9.343 1.00 0.00 H new ATOM 0 HB ILE B 23 7.319 -1.619 -7.075 1.00 0.00 H new ATOM 0 HG12 ILE B 23 8.327 -3.074 -9.565 1.00 0.00 H new ATOM 0 HG13 ILE B 23 9.106 -3.204 -8.001 1.00 0.00 H new ATOM 0 HG21 ILE B 23 5.637 -1.983 -8.852 1.00 0.00 H new ATOM 0 HG22 ILE B 23 6.075 -0.262 -8.729 1.00 0.00 H new ATOM 0 HG23 ILE B 23 6.738 -1.258 -10.047 1.00 0.00 H new ATOM 0 HD11 ILE B 23 7.493 -5.058 -8.334 1.00 0.00 H new ATOM 0 HD12 ILE B 23 6.973 -4.012 -6.991 1.00 0.00 H new ATOM 0 HD13 ILE B 23 6.182 -3.879 -8.580 1.00 0.00 H new ATOM 1422 N LEU B 24 8.125 1.597 -9.125 1.00 0.00 N ATOM 1423 CA LEU B 24 7.607 2.992 -8.980 1.00 0.00 C ATOM 1424 C LEU B 24 6.340 3.141 -9.817 1.00 0.00 C ATOM 1425 O LEU B 24 6.356 2.939 -11.013 1.00 0.00 O ATOM 1426 CB LEU B 24 8.668 3.968 -9.485 1.00 0.00 C ATOM 1427 CG LEU B 24 9.995 3.703 -8.769 1.00 0.00 C ATOM 1428 CD1 LEU B 24 11.055 4.678 -9.284 1.00 0.00 C ATOM 1429 CD2 LEU B 24 9.819 3.881 -7.254 1.00 0.00 C ATOM 0 H LEU B 24 8.387 1.334 -10.075 1.00 0.00 H new ATOM 0 HA LEU B 24 7.381 3.202 -7.935 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.796 3.856 -10.562 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.346 4.994 -9.307 1.00 0.00 H new ATOM 0 HG LEU B 24 10.313 2.680 -8.970 1.00 0.00 H new ATOM 0 HD11 LEU B 24 12.000 4.490 -8.775 1.00 0.00 H new ATOM 0 HD12 LEU B 24 11.187 4.539 -10.357 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.734 5.701 -9.088 1.00 0.00 H new ATOM 0 HD21 LEU B 24 10.768 3.691 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU B 24 9.495 4.900 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.069 3.179 -6.890 1.00 0.00 H new ATOM 1441 N LEU B 25 5.247 3.502 -9.197 1.00 0.00 N ATOM 1442 CA LEU B 25 3.967 3.672 -9.953 1.00 0.00 C ATOM 1443 C LEU B 25 3.334 4.995 -9.556 1.00 0.00 C ATOM 1444 O LEU B 25 3.197 5.295 -8.387 1.00 0.00 O ATOM 1445 CB LEU B 25 3.022 2.523 -9.604 1.00 0.00 C ATOM 1446 CG LEU B 25 3.647 1.195 -10.046 1.00 0.00 C ATOM 1447 CD1 LEU B 25 2.805 0.034 -9.511 1.00 0.00 C ATOM 1448 CD2 LEU B 25 3.717 1.115 -11.582 1.00 0.00 C ATOM 0 H LEU B 25 5.184 3.687 -8.196 1.00 0.00 H new ATOM 0 HA LEU B 25 4.161 3.666 -11.026 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.831 2.508 -8.531 1.00 0.00 H new ATOM 0 HB3 LEU B 25 2.060 2.666 -10.097 1.00 0.00 H new ATOM 0 HG LEU B 25 4.659 1.133 -9.647 1.00 0.00 H new ATOM 0 HD11 LEU B 25 3.248 -0.911 -9.824 1.00 0.00 H new ATOM 0 HD12 LEU B 25 2.775 0.078 -8.422 1.00 0.00 H new ATOM 0 HD13 LEU B 25 1.791 0.108 -9.905 1.00 0.00 H new ATOM 0 HD21 LEU B 25 4.163 0.165 -11.877 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.711 1.187 -11.996 1.00 0.00 H new ATOM 0 HD23 LEU B 25 4.326 1.936 -11.962 1.00 0.00 H new ATOM 1460 N GLU B 26 2.942 5.797 -10.512 1.00 0.00 N ATOM 1461 CA GLU B 26 2.317 7.100 -10.165 1.00 0.00 C ATOM 1462 C GLU B 26 0.804 6.933 -10.129 1.00 0.00 C ATOM 1463 O GLU B 26 0.209 6.437 -11.067 1.00 0.00 O ATOM 1464 CB GLU B 26 2.705 8.140 -11.206 1.00 0.00 C ATOM 1465 CG GLU B 26 2.205 9.513 -10.766 1.00 0.00 C ATOM 1466 CD GLU B 26 2.682 10.566 -11.764 1.00 0.00 C ATOM 1467 OE1 GLU B 26 3.596 10.265 -12.516 1.00 0.00 O ATOM 1468 OE2 GLU B 26 2.126 11.651 -11.765 1.00 0.00 O ATOM 0 H GLU B 26 3.028 5.605 -11.510 1.00 0.00 H new ATOM 0 HA GLU B 26 2.665 7.432 -9.187 1.00 0.00 H new ATOM 0 HB2 GLU B 26 3.788 8.159 -11.331 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.277 7.878 -12.174 1.00 0.00 H new ATOM 0 HG2 GLU B 26 1.116 9.516 -10.709 1.00 0.00 H new ATOM 0 HG3 GLU B 26 2.577 9.746 -9.768 1.00 0.00 H new ATOM 1475 N THR B 27 0.177 7.343 -9.047 1.00 0.00 N ATOM 1476 CA THR B 27 -1.309 7.215 -8.934 1.00 0.00 C ATOM 1477 C THR B 27 -1.918 8.587 -8.638 1.00 0.00 C ATOM 1478 O THR B 27 -1.312 9.423 -8.000 1.00 0.00 O ATOM 1479 CB THR B 27 -1.653 6.244 -7.800 1.00 0.00 C ATOM 1480 OG1 THR B 27 -3.064 6.187 -7.646 1.00 0.00 O ATOM 1481 CG2 THR B 27 -1.019 6.720 -6.491 1.00 0.00 C ATOM 0 H THR B 27 0.635 7.761 -8.237 1.00 0.00 H new ATOM 0 HA THR B 27 -1.714 6.834 -9.872 1.00 0.00 H new ATOM 0 HB THR B 27 -1.265 5.255 -8.044 1.00 0.00 H new ATOM 0 HG1 THR B 27 -3.282 5.869 -6.745 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.269 6.023 -5.691 1.00 0.00 H new ATOM 0 HG22 THR B 27 0.064 6.766 -6.607 1.00 0.00 H new ATOM 0 HG23 THR B 27 -1.399 7.711 -6.242 1.00 0.00 H new ATOM 1489 N ILE B 28 -3.121 8.807 -9.103 1.00 0.00 N ATOM 1490 CA ILE B 28 -3.815 10.111 -8.880 1.00 0.00 C ATOM 1491 C ILE B 28 -2.878 11.279 -9.221 1.00 0.00 C ATOM 1492 O ILE B 28 -2.954 11.852 -10.290 1.00 0.00 O ATOM 1493 CB ILE B 28 -4.275 10.220 -7.418 1.00 0.00 C ATOM 1494 CG1 ILE B 28 -4.829 8.870 -6.939 1.00 0.00 C ATOM 1495 CG2 ILE B 28 -5.373 11.283 -7.306 1.00 0.00 C ATOM 1496 CD1 ILE B 28 -5.828 8.310 -7.956 1.00 0.00 C ATOM 0 H ILE B 28 -3.661 8.126 -9.637 1.00 0.00 H new ATOM 0 HA ILE B 28 -4.687 10.158 -9.532 1.00 0.00 H new ATOM 0 HB ILE B 28 -3.424 10.500 -6.798 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -4.011 8.164 -6.797 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -5.316 8.992 -5.971 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -5.700 11.361 -6.269 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -4.983 12.246 -7.637 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -6.219 11.000 -7.933 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -6.211 7.353 -7.601 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -6.655 9.010 -8.077 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -5.330 8.168 -8.915 1.00 0.00 H new ATOM 1508 N GLN B 29 -2.002 11.641 -8.324 1.00 0.00 N ATOM 1509 CA GLN B 29 -1.068 12.771 -8.591 1.00 0.00 C ATOM 1510 C GLN B 29 0.252 12.525 -7.851 1.00 0.00 C ATOM 1511 O GLN B 29 1.273 13.085 -8.189 1.00 0.00 O ATOM 1512 CB GLN B 29 -1.698 14.078 -8.090 1.00 0.00 C ATOM 1513 CG GLN B 29 -2.367 13.835 -6.732 1.00 0.00 C ATOM 1514 CD GLN B 29 -2.933 15.153 -6.200 1.00 0.00 C ATOM 1515 OE1 GLN B 29 -2.386 16.206 -6.455 1.00 0.00 O ATOM 1516 NE2 GLN B 29 -4.012 15.141 -5.464 1.00 0.00 N ATOM 0 H GLN B 29 -1.893 11.199 -7.411 1.00 0.00 H new ATOM 0 HA GLN B 29 -0.877 12.844 -9.662 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -0.934 14.850 -7.998 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -2.432 14.440 -8.810 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -3.165 13.099 -6.834 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -1.644 13.426 -6.026 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -4.473 14.257 -5.249 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -4.394 16.016 -5.104 1.00 0.00 H new ATOM 1525 N GLY B 30 0.240 11.700 -6.831 1.00 0.00 N ATOM 1526 CA GLY B 30 1.494 11.437 -6.061 1.00 0.00 C ATOM 1527 C GLY B 30 2.194 10.185 -6.589 1.00 0.00 C ATOM 1528 O GLY B 30 1.615 9.395 -7.308 1.00 0.00 O ATOM 0 H GLY B 30 -0.584 11.198 -6.500 1.00 0.00 H new ATOM 0 HA2 GLY B 30 2.162 12.295 -6.139 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.259 11.311 -5.004 1.00 0.00 H new ATOM 1532 N VAL B 31 3.444 9.996 -6.222 1.00 0.00 N ATOM 1533 CA VAL B 31 4.205 8.794 -6.685 1.00 0.00 C ATOM 1534 C VAL B 31 4.471 7.874 -5.501 1.00 0.00 C ATOM 1535 O VAL B 31 4.940 8.299 -4.466 1.00 0.00 O ATOM 1536 CB VAL B 31 5.533 9.233 -7.299 1.00 0.00 C ATOM 1537 CG1 VAL B 31 6.302 7.999 -7.785 1.00 0.00 C ATOM 1538 CG2 VAL B 31 5.256 10.163 -8.482 1.00 0.00 C ATOM 0 H VAL B 31 3.969 10.629 -5.618 1.00 0.00 H new ATOM 0 HA VAL B 31 3.619 8.262 -7.434 1.00 0.00 H new ATOM 0 HB VAL B 31 6.128 9.759 -6.552 1.00 0.00 H new ATOM 0 HG11 VAL B 31 7.250 8.310 -8.224 1.00 0.00 H new ATOM 0 HG12 VAL B 31 6.493 7.334 -6.943 1.00 0.00 H new ATOM 0 HG13 VAL B 31 5.711 7.474 -8.535 1.00 0.00 H new ATOM 0 HG21 VAL B 31 6.200 10.480 -8.925 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.664 9.635 -9.229 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.706 11.038 -8.136 1.00 0.00 H new ATOM 1548 N LEU B 32 4.175 6.607 -5.653 1.00 0.00 N ATOM 1549 CA LEU B 32 4.404 5.631 -4.548 1.00 0.00 C ATOM 1550 C LEU B 32 5.600 4.755 -4.893 1.00 0.00 C ATOM 1551 O LEU B 32 5.649 4.141 -5.944 1.00 0.00 O ATOM 1552 CB LEU B 32 3.158 4.755 -4.380 1.00 0.00 C ATOM 1553 CG LEU B 32 3.329 3.808 -3.180 1.00 0.00 C ATOM 1554 CD1 LEU B 32 3.458 4.609 -1.870 1.00 0.00 C ATOM 1555 CD2 LEU B 32 2.115 2.874 -3.107 1.00 0.00 C ATOM 0 H LEU B 32 3.781 6.206 -6.504 1.00 0.00 H new ATOM 0 HA LEU B 32 4.600 6.165 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.280 5.384 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU B 32 2.987 4.176 -5.288 1.00 0.00 H new ATOM 0 HG LEU B 32 4.239 3.223 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.578 3.921 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.327 5.265 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU B 32 2.560 5.209 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.226 2.198 -2.259 1.00 0.00 H new ATOM 0 HD22 LEU B 32 1.208 3.465 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU B 32 2.047 2.294 -4.027 1.00 0.00 H new ATOM 1567 N SER B 33 6.564 4.692 -4.009 1.00 0.00 N ATOM 1568 CA SER B 33 7.775 3.857 -4.257 1.00 0.00 C ATOM 1569 C SER B 33 7.770 2.674 -3.292 1.00 0.00 C ATOM 1570 O SER B 33 7.832 2.842 -2.086 1.00 0.00 O ATOM 1571 CB SER B 33 9.022 4.707 -4.025 1.00 0.00 C ATOM 1572 OG SER B 33 9.031 5.778 -4.959 1.00 0.00 O ATOM 0 H SER B 33 6.562 5.189 -3.118 1.00 0.00 H new ATOM 0 HA SER B 33 7.773 3.488 -5.283 1.00 0.00 H new ATOM 0 HB2 SER B 33 9.029 5.095 -3.007 1.00 0.00 H new ATOM 0 HB3 SER B 33 9.919 4.099 -4.140 1.00 0.00 H new ATOM 0 HG SER B 33 9.828 6.330 -4.816 1.00 0.00 H new ATOM 1578 N ILE B 34 7.699 1.479 -3.820 1.00 0.00 N ATOM 1579 CA ILE B 34 7.684 0.261 -2.960 1.00 0.00 C ATOM 1580 C ILE B 34 9.078 -0.363 -2.948 1.00 0.00 C ATOM 1581 O ILE B 34 9.657 -0.617 -3.991 1.00 0.00 O ATOM 1582 CB ILE B 34 6.689 -0.747 -3.538 1.00 0.00 C ATOM 1583 CG1 ILE B 34 5.289 -0.126 -3.552 1.00 0.00 C ATOM 1584 CG2 ILE B 34 6.685 -2.014 -2.681 1.00 0.00 C ATOM 1585 CD1 ILE B 34 4.337 -1.026 -4.343 1.00 0.00 C ATOM 0 H ILE B 34 7.650 1.295 -4.822 1.00 0.00 H new ATOM 0 HA ILE B 34 7.392 0.530 -1.945 1.00 0.00 H new ATOM 0 HB ILE B 34 6.981 -1.006 -4.556 1.00 0.00 H new ATOM 0 HG12 ILE B 34 4.925 -0.002 -2.532 1.00 0.00 H new ATOM 0 HG13 ILE B 34 5.325 0.867 -4.001 1.00 0.00 H new ATOM 0 HG21 ILE B 34 5.975 -2.731 -3.095 1.00 0.00 H new ATOM 0 HG22 ILE B 34 7.683 -2.453 -2.676 1.00 0.00 H new ATOM 0 HG23 ILE B 34 6.394 -1.763 -1.661 1.00 0.00 H new ATOM 0 HD11 ILE B 34 3.341 -0.583 -4.352 1.00 0.00 H new ATOM 0 HD12 ILE B 34 4.698 -1.128 -5.366 1.00 0.00 H new ATOM 0 HD13 ILE B 34 4.292 -2.009 -3.875 1.00 0.00 H new ATOM 1597 N LYS B 35 9.616 -0.617 -1.776 1.00 0.00 N ATOM 1598 CA LYS B 35 10.977 -1.233 -1.673 1.00 0.00 C ATOM 1599 C LYS B 35 10.887 -2.502 -0.830 1.00 0.00 C ATOM 1600 O LYS B 35 10.234 -2.536 0.194 1.00 0.00 O ATOM 1601 CB LYS B 35 11.927 -0.240 -1.002 1.00 0.00 C ATOM 1602 CG LYS B 35 12.186 0.933 -1.948 1.00 0.00 C ATOM 1603 CD LYS B 35 13.108 1.946 -1.266 1.00 0.00 C ATOM 1604 CE LYS B 35 13.367 3.119 -2.212 1.00 0.00 C ATOM 1605 NZ LYS B 35 14.228 2.665 -3.341 1.00 0.00 N ATOM 0 H LYS B 35 9.166 -0.422 -0.882 1.00 0.00 H new ATOM 0 HA LYS B 35 11.351 -1.480 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS B 35 11.495 0.120 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS B 35 12.866 -0.732 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS B 35 12.641 0.575 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS B 35 11.244 1.409 -2.221 1.00 0.00 H new ATOM 0 HD2 LYS B 35 12.653 2.304 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS B 35 14.050 1.470 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS B 35 12.423 3.508 -2.594 1.00 0.00 H new ATOM 0 HE3 LYS B 35 13.853 3.933 -1.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 15.124 3.193 -3.329 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 14.424 1.649 -3.241 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 13.738 2.836 -4.242 1.00 0.00 H new ATOM 1619 N GLY B 36 11.539 -3.549 -1.254 1.00 0.00 N ATOM 1620 CA GLY B 36 11.488 -4.816 -0.482 1.00 0.00 C ATOM 1621 C GLY B 36 12.237 -5.906 -1.246 1.00 0.00 C ATOM 1622 O GLY B 36 13.183 -5.629 -1.954 1.00 0.00 O ATOM 0 H GLY B 36 12.104 -3.579 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY B 36 11.935 -4.673 0.502 1.00 0.00 H new ATOM 0 HA3 GLY B 36 10.452 -5.115 -0.321 1.00 0.00 H new ATOM 1626 N GLU B 37 11.822 -7.145 -1.108 1.00 0.00 N ATOM 1627 CA GLU B 37 12.515 -8.261 -1.828 1.00 0.00 C ATOM 1628 C GLU B 37 11.480 -9.177 -2.483 1.00 0.00 C ATOM 1629 O GLU B 37 10.383 -9.340 -1.990 1.00 0.00 O ATOM 1630 CB GLU B 37 13.350 -9.063 -0.832 1.00 0.00 C ATOM 1631 CG GLU B 37 14.474 -8.181 -0.293 1.00 0.00 C ATOM 1632 CD GLU B 37 15.397 -9.015 0.596 1.00 0.00 C ATOM 1633 OE1 GLU B 37 15.164 -10.207 0.705 1.00 0.00 O ATOM 1634 OE2 GLU B 37 16.326 -8.446 1.148 1.00 0.00 O ATOM 0 H GLU B 37 11.033 -7.430 -0.528 1.00 0.00 H new ATOM 0 HA GLU B 37 13.164 -7.846 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU B 37 12.722 -9.414 -0.013 1.00 0.00 H new ATOM 0 HB3 GLU B 37 13.766 -9.947 -1.316 1.00 0.00 H new ATOM 0 HG2 GLU B 37 15.040 -7.750 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU B 37 14.057 -7.350 0.276 1.00 0.00 H new ATOM 1641 N LYS B 38 11.828 -9.768 -3.594 1.00 0.00 N ATOM 1642 CA LYS B 38 10.878 -10.670 -4.307 1.00 0.00 C ATOM 1643 C LYS B 38 9.583 -9.917 -4.615 1.00 0.00 C ATOM 1644 O LYS B 38 8.504 -10.314 -4.222 1.00 0.00 O ATOM 1645 CB LYS B 38 10.592 -11.913 -3.452 1.00 0.00 C ATOM 1646 CG LYS B 38 11.858 -12.772 -3.387 1.00 0.00 C ATOM 1647 CD LYS B 38 11.598 -14.018 -2.538 1.00 0.00 C ATOM 1648 CE LYS B 38 12.868 -14.871 -2.484 1.00 0.00 C ATOM 1649 NZ LYS B 38 12.616 -16.079 -1.647 1.00 0.00 N ATOM 0 H LYS B 38 12.738 -9.663 -4.042 1.00 0.00 H new ATOM 0 HA LYS B 38 11.325 -10.994 -5.247 1.00 0.00 H new ATOM 0 HB2 LYS B 38 10.285 -11.618 -2.449 1.00 0.00 H new ATOM 0 HB3 LYS B 38 9.770 -12.485 -3.882 1.00 0.00 H new ATOM 0 HG2 LYS B 38 12.163 -13.063 -4.392 1.00 0.00 H new ATOM 0 HG3 LYS B 38 12.678 -12.195 -2.960 1.00 0.00 H new ATOM 0 HD2 LYS B 38 11.298 -13.729 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS B 38 10.777 -14.596 -2.962 1.00 0.00 H new ATOM 0 HE2 LYS B 38 13.164 -15.167 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS B 38 13.692 -14.291 -2.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 13.477 -16.661 -1.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 12.353 -15.786 -0.685 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 11.842 -16.634 -2.063 1.00 0.00 H new ATOM 1663 N LEU B 39 9.690 -8.827 -5.333 1.00 0.00 N ATOM 1664 CA LEU B 39 8.484 -8.027 -5.696 1.00 0.00 C ATOM 1665 C LEU B 39 7.950 -8.523 -7.044 1.00 0.00 C ATOM 1666 O LEU B 39 8.076 -7.866 -8.057 1.00 0.00 O ATOM 1667 CB LEU B 39 8.888 -6.550 -5.800 1.00 0.00 C ATOM 1668 CG LEU B 39 8.900 -5.921 -4.403 1.00 0.00 C ATOM 1669 CD1 LEU B 39 9.815 -6.735 -3.487 1.00 0.00 C ATOM 1670 CD2 LEU B 39 9.419 -4.485 -4.490 1.00 0.00 C ATOM 0 H LEU B 39 10.572 -8.455 -5.686 1.00 0.00 H new ATOM 0 HA LEU B 39 7.707 -8.137 -4.939 1.00 0.00 H new ATOM 0 HB2 LEU B 39 9.874 -6.463 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU B 39 8.190 -6.016 -6.444 1.00 0.00 H new ATOM 0 HG LEU B 39 7.887 -5.917 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU B 39 9.825 -6.289 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU B 39 9.447 -7.759 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU B 39 10.827 -6.738 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU B 39 9.426 -4.040 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU B 39 10.431 -4.488 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU B 39 8.769 -3.902 -5.143 1.00 0.00 H new ATOM 1682 N GLY B 40 7.365 -9.689 -7.053 1.00 0.00 N ATOM 1683 CA GLY B 40 6.830 -10.251 -8.324 1.00 0.00 C ATOM 1684 C GLY B 40 5.509 -9.570 -8.696 1.00 0.00 C ATOM 1685 O GLY B 40 4.892 -8.902 -7.889 1.00 0.00 O ATOM 0 H GLY B 40 7.234 -10.279 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY B 40 7.556 -10.111 -9.125 1.00 0.00 H new ATOM 0 HA3 GLY B 40 6.675 -11.325 -8.217 1.00 0.00 H new ATOM 1764 N VAL B 51 -3.571 -4.594 -11.151 1.00 0.00 N ATOM 1765 CA VAL B 51 -2.127 -4.941 -10.974 1.00 0.00 C ATOM 1766 C VAL B 51 -1.825 -5.104 -9.489 1.00 0.00 C ATOM 1767 O VAL B 51 -2.235 -4.304 -8.674 1.00 0.00 O ATOM 1768 CB VAL B 51 -1.271 -3.817 -11.565 1.00 0.00 C ATOM 1769 CG1 VAL B 51 0.192 -3.992 -11.140 1.00 0.00 C ATOM 1770 CG2 VAL B 51 -1.371 -3.876 -13.090 1.00 0.00 C ATOM 0 HA VAL B 51 -1.900 -5.876 -11.486 1.00 0.00 H new ATOM 0 HB VAL B 51 -1.629 -2.854 -11.202 1.00 0.00 H new ATOM 0 HG11 VAL B 51 0.793 -3.188 -11.565 1.00 0.00 H new ATOM 0 HG12 VAL B 51 0.261 -3.961 -10.053 1.00 0.00 H new ATOM 0 HG13 VAL B 51 0.563 -4.952 -11.500 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -0.766 -3.081 -13.525 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -1.008 -4.842 -13.441 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -2.411 -3.748 -13.392 1.00 0.00 H new ATOM 1780 N GLU B 52 -1.107 -6.137 -9.135 1.00 0.00 N ATOM 1781 CA GLU B 52 -0.764 -6.364 -7.701 1.00 0.00 C ATOM 1782 C GLU B 52 0.698 -6.774 -7.590 1.00 0.00 C ATOM 1783 O GLU B 52 1.300 -7.223 -8.546 1.00 0.00 O ATOM 1784 CB GLU B 52 -1.661 -7.473 -7.125 1.00 0.00 C ATOM 1785 CG GLU B 52 -1.503 -8.756 -7.948 1.00 0.00 C ATOM 1786 CD GLU B 52 -0.203 -9.469 -7.567 1.00 0.00 C ATOM 1787 OE1 GLU B 52 -0.067 -9.832 -6.410 1.00 0.00 O ATOM 1788 OE2 GLU B 52 0.635 -9.634 -8.437 1.00 0.00 O ATOM 0 H GLU B 52 -0.742 -6.837 -9.781 1.00 0.00 H new ATOM 0 HA GLU B 52 -0.925 -5.445 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -1.395 -7.663 -6.085 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -2.702 -7.151 -7.134 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -2.353 -9.416 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -1.497 -8.517 -9.011 1.00 0.00 H new ATOM 1795 N VAL B 53 1.271 -6.622 -6.425 1.00 0.00 N ATOM 1796 CA VAL B 53 2.699 -7.001 -6.214 1.00 0.00 C ATOM 1797 C VAL B 53 2.789 -7.924 -5.005 1.00 0.00 C ATOM 1798 O VAL B 53 2.139 -7.700 -4.003 1.00 0.00 O ATOM 1799 CB VAL B 53 3.530 -5.750 -5.951 1.00 0.00 C ATOM 1800 CG1 VAL B 53 4.985 -6.154 -5.698 1.00 0.00 C ATOM 1801 CG2 VAL B 53 3.454 -4.834 -7.171 1.00 0.00 C ATOM 0 H VAL B 53 0.804 -6.246 -5.600 1.00 0.00 H new ATOM 0 HA VAL B 53 3.079 -7.506 -7.102 1.00 0.00 H new ATOM 0 HB VAL B 53 3.145 -5.225 -5.077 1.00 0.00 H new ATOM 0 HG11 VAL B 53 5.583 -5.262 -5.509 1.00 0.00 H new ATOM 0 HG12 VAL B 53 5.034 -6.814 -4.832 1.00 0.00 H new ATOM 0 HG13 VAL B 53 5.375 -6.674 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL B 53 4.046 -3.937 -6.990 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.845 -5.357 -8.044 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.416 -4.553 -7.351 1.00 0.00 H new ATOM 1811 N GLU B 54 3.589 -8.959 -5.090 1.00 0.00 N ATOM 1812 CA GLU B 54 3.730 -9.909 -3.941 1.00 0.00 C ATOM 1813 C GLU B 54 5.178 -9.892 -3.450 1.00 0.00 C ATOM 1814 O GLU B 54 6.111 -9.860 -4.228 1.00 0.00 O ATOM 1815 CB GLU B 54 3.345 -11.320 -4.401 1.00 0.00 C ATOM 1816 CG GLU B 54 4.263 -11.779 -5.545 1.00 0.00 C ATOM 1817 CD GLU B 54 5.590 -12.290 -4.978 1.00 0.00 C ATOM 1818 OE1 GLU B 54 5.555 -12.994 -3.983 1.00 0.00 O ATOM 1819 OE2 GLU B 54 6.621 -11.959 -5.544 1.00 0.00 O ATOM 0 H GLU B 54 4.153 -9.188 -5.909 1.00 0.00 H new ATOM 0 HA GLU B 54 3.072 -9.609 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU B 54 3.420 -12.015 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU B 54 2.307 -11.331 -4.733 1.00 0.00 H new ATOM 0 HG2 GLU B 54 3.776 -12.567 -6.119 1.00 0.00 H new ATOM 0 HG3 GLU B 54 4.445 -10.951 -6.230 1.00 0.00 H new ATOM 1826 N GLY B 55 5.370 -9.905 -2.159 1.00 0.00 N ATOM 1827 CA GLY B 55 6.753 -9.885 -1.607 1.00 0.00 C ATOM 1828 C GLY B 55 6.728 -9.275 -0.206 1.00 0.00 C ATOM 1829 O GLY B 55 5.685 -8.908 0.299 1.00 0.00 O ATOM 0 H GLY B 55 4.626 -9.929 -1.462 1.00 0.00 H new ATOM 0 HA2 GLY B 55 7.156 -10.897 -1.569 1.00 0.00 H new ATOM 0 HA3 GLY B 55 7.408 -9.305 -2.257 1.00 0.00 H new ATOM 1833 N LEU B 56 7.869 -9.169 0.430 1.00 0.00 N ATOM 1834 CA LEU B 56 7.917 -8.593 1.807 1.00 0.00 C ATOM 1835 C LEU B 56 8.333 -7.120 1.739 1.00 0.00 C ATOM 1836 O LEU B 56 9.365 -6.779 1.198 1.00 0.00 O ATOM 1837 CB LEU B 56 8.927 -9.382 2.660 1.00 0.00 C ATOM 1838 CG LEU B 56 10.189 -9.735 1.829 1.00 0.00 C ATOM 1839 CD1 LEU B 56 11.419 -9.766 2.745 1.00 0.00 C ATOM 1840 CD2 LEU B 56 10.038 -11.120 1.176 1.00 0.00 C ATOM 0 H LEU B 56 8.771 -9.458 0.052 1.00 0.00 H new ATOM 0 HA LEU B 56 6.929 -8.663 2.262 1.00 0.00 H new ATOM 0 HB2 LEU B 56 9.212 -8.793 3.532 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.462 -10.296 3.031 1.00 0.00 H new ATOM 0 HG LEU B 56 10.309 -8.977 1.055 1.00 0.00 H new ATOM 0 HD11 LEU B 56 12.303 -10.014 2.158 1.00 0.00 H new ATOM 0 HD12 LEU B 56 11.553 -8.788 3.207 1.00 0.00 H new ATOM 0 HD13 LEU B 56 11.276 -10.518 3.521 1.00 0.00 H new ATOM 0 HD21 LEU B 56 10.933 -11.349 0.598 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.903 -11.875 1.951 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.170 -11.119 0.516 1.00 0.00 H new ATOM 1852 N ILE B 57 7.536 -6.250 2.290 1.00 0.00 N ATOM 1853 CA ILE B 57 7.878 -4.801 2.264 1.00 0.00 C ATOM 1854 C ILE B 57 8.943 -4.508 3.326 1.00 0.00 C ATOM 1855 O ILE B 57 8.774 -4.820 4.487 1.00 0.00 O ATOM 1856 CB ILE B 57 6.599 -3.996 2.559 1.00 0.00 C ATOM 1857 CG1 ILE B 57 5.728 -3.921 1.298 1.00 0.00 C ATOM 1858 CG2 ILE B 57 6.948 -2.574 3.014 1.00 0.00 C ATOM 1859 CD1 ILE B 57 5.553 -5.317 0.695 1.00 0.00 C ATOM 0 H ILE B 57 6.660 -6.480 2.759 1.00 0.00 H new ATOM 0 HA ILE B 57 8.273 -4.521 1.288 1.00 0.00 H new ATOM 0 HB ILE B 57 6.053 -4.501 3.356 1.00 0.00 H new ATOM 0 HG12 ILE B 57 4.754 -3.498 1.544 1.00 0.00 H new ATOM 0 HG13 ILE B 57 6.189 -3.256 0.567 1.00 0.00 H new ATOM 0 HG21 ILE B 57 6.031 -2.022 3.217 1.00 0.00 H new ATOM 0 HG22 ILE B 57 7.552 -2.620 3.920 1.00 0.00 H new ATOM 0 HG23 ILE B 57 7.509 -2.068 2.229 1.00 0.00 H new ATOM 0 HD11 ILE B 57 4.933 -5.252 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE B 57 6.529 -5.724 0.431 1.00 0.00 H new ATOM 0 HD13 ILE B 57 5.072 -5.970 1.423 1.00 0.00 H new ATOM 1871 N ASP B 58 10.031 -3.897 2.929 1.00 0.00 N ATOM 1872 CA ASP B 58 11.115 -3.554 3.898 1.00 0.00 C ATOM 1873 C ASP B 58 11.144 -2.037 4.103 1.00 0.00 C ATOM 1874 O ASP B 58 11.683 -1.547 5.075 1.00 0.00 O ATOM 1875 CB ASP B 58 12.454 -4.016 3.333 1.00 0.00 C ATOM 1876 CG ASP B 58 12.426 -5.536 3.152 1.00 0.00 C ATOM 1877 OD1 ASP B 58 11.876 -6.204 4.011 1.00 0.00 O ATOM 1878 OD2 ASP B 58 12.946 -6.003 2.153 1.00 0.00 O ATOM 0 H ASP B 58 10.216 -3.619 1.965 1.00 0.00 H new ATOM 0 HA ASP B 58 10.930 -4.048 4.852 1.00 0.00 H new ATOM 0 HB2 ASP B 58 12.647 -3.527 2.378 1.00 0.00 H new ATOM 0 HB3 ASP B 58 13.263 -3.733 4.006 1.00 0.00 H new ATOM 1883 N ALA B 59 10.571 -1.284 3.202 1.00 0.00 N ATOM 1884 CA ALA B 59 10.582 0.199 3.375 1.00 0.00 C ATOM 1885 C ALA B 59 9.586 0.851 2.420 1.00 0.00 C ATOM 1886 O ALA B 59 9.303 0.337 1.353 1.00 0.00 O ATOM 1887 CB ALA B 59 11.983 0.734 3.081 1.00 0.00 C ATOM 0 H ALA B 59 10.101 -1.625 2.363 1.00 0.00 H new ATOM 0 HA ALA B 59 10.300 0.436 4.401 1.00 0.00 H new ATOM 0 HB1 ALA B 59 11.993 1.817 3.207 1.00 0.00 H new ATOM 0 HB2 ALA B 59 12.697 0.282 3.770 1.00 0.00 H new ATOM 0 HB3 ALA B 59 12.260 0.485 2.057 1.00 0.00 H new ATOM 1893 N LEU B 60 9.065 1.995 2.790 1.00 0.00 N ATOM 1894 CA LEU B 60 8.091 2.709 1.910 1.00 0.00 C ATOM 1895 C LEU B 60 8.468 4.186 1.840 1.00 0.00 C ATOM 1896 O LEU B 60 8.656 4.836 2.848 1.00 0.00 O ATOM 1897 CB LEU B 60 6.667 2.539 2.494 1.00 0.00 C ATOM 1898 CG LEU B 60 5.792 1.691 1.551 1.00 0.00 C ATOM 1899 CD1 LEU B 60 5.615 2.420 0.196 1.00 0.00 C ATOM 1900 CD2 LEU B 60 6.445 0.301 1.350 1.00 0.00 C ATOM 0 H LEU B 60 9.275 2.467 3.670 1.00 0.00 H new ATOM 0 HA LEU B 60 8.114 2.293 0.903 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.724 2.063 3.473 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.210 3.517 2.642 1.00 0.00 H new ATOM 0 HG LEU B 60 4.806 1.552 1.993 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.995 1.814 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU B 60 5.134 3.384 0.362 1.00 0.00 H new ATOM 0 HD13 LEU B 60 6.591 2.576 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.826 -0.299 0.683 1.00 0.00 H new ATOM 0 HD22 LEU B 60 7.436 0.424 0.913 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.534 -0.202 2.313 1.00 0.00 H new ATOM 1912 N VAL B 61 8.560 4.719 0.649 1.00 0.00 N ATOM 1913 CA VAL B 61 8.908 6.160 0.496 1.00 0.00 C ATOM 1914 C VAL B 61 7.849 6.830 -0.374 1.00 0.00 C ATOM 1915 O VAL B 61 7.536 6.375 -1.457 1.00 0.00 O ATOM 1916 CB VAL B 61 10.277 6.272 -0.179 1.00 0.00 C ATOM 1917 CG1 VAL B 61 10.552 7.734 -0.545 1.00 0.00 C ATOM 1918 CG2 VAL B 61 11.364 5.744 0.774 1.00 0.00 C ATOM 0 H VAL B 61 8.408 4.216 -0.225 1.00 0.00 H new ATOM 0 HA VAL B 61 8.944 6.647 1.470 1.00 0.00 H new ATOM 0 HB VAL B 61 10.287 5.675 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL B 61 11.527 7.812 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL B 61 9.781 8.089 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL B 61 10.543 8.343 0.359 1.00 0.00 H new ATOM 0 HG21 VAL B 61 12.339 5.824 0.293 1.00 0.00 H new ATOM 0 HG22 VAL B 61 11.362 6.334 1.691 1.00 0.00 H new ATOM 0 HG23 VAL B 61 11.162 4.700 1.014 1.00 0.00 H new ATOM 1928 N TYR B 62 7.301 7.914 0.094 1.00 0.00 N ATOM 1929 CA TYR B 62 6.264 8.641 -0.688 1.00 0.00 C ATOM 1930 C TYR B 62 6.454 10.154 -0.449 1.00 0.00 C ATOM 1931 O TYR B 62 6.069 10.664 0.580 1.00 0.00 O ATOM 1932 CB TYR B 62 4.869 8.199 -0.210 1.00 0.00 C ATOM 1933 CG TYR B 62 3.808 9.098 -0.801 1.00 0.00 C ATOM 1934 CD1 TYR B 62 3.236 8.788 -2.041 1.00 0.00 C ATOM 1935 CD2 TYR B 62 3.396 10.242 -0.110 1.00 0.00 C ATOM 1936 CE1 TYR B 62 2.252 9.618 -2.587 1.00 0.00 C ATOM 1937 CE2 TYR B 62 2.416 11.074 -0.656 1.00 0.00 C ATOM 1938 CZ TYR B 62 1.840 10.760 -1.894 1.00 0.00 C ATOM 1939 OH TYR B 62 0.864 11.577 -2.430 1.00 0.00 O ATOM 0 H TYR B 62 7.530 8.333 0.996 1.00 0.00 H new ATOM 0 HA TYR B 62 6.357 8.421 -1.752 1.00 0.00 H new ATOM 0 HB2 TYR B 62 4.686 7.166 -0.504 1.00 0.00 H new ATOM 0 HB3 TYR B 62 4.821 8.234 0.878 1.00 0.00 H new ATOM 0 HD1 TYR B 62 3.555 7.906 -2.577 1.00 0.00 H new ATOM 0 HD2 TYR B 62 3.836 10.482 0.847 1.00 0.00 H new ATOM 0 HE1 TYR B 62 1.811 9.377 -3.543 1.00 0.00 H new ATOM 0 HE2 TYR B 62 2.102 11.960 -0.124 1.00 0.00 H new ATOM 0 HH TYR B 62 0.413 12.064 -1.709 1.00 0.00 H new ATOM 1949 N PRO B 63 7.056 10.873 -1.370 1.00 0.00 N ATOM 1950 CA PRO B 63 7.277 12.343 -1.212 1.00 0.00 C ATOM 1951 C PRO B 63 6.019 13.080 -0.729 1.00 0.00 C ATOM 1952 O PRO B 63 5.223 13.554 -1.513 1.00 0.00 O ATOM 1953 CB PRO B 63 7.680 12.799 -2.619 1.00 0.00 C ATOM 1954 CG PRO B 63 8.330 11.599 -3.229 1.00 0.00 C ATOM 1955 CD PRO B 63 7.599 10.383 -2.651 1.00 0.00 C ATOM 0 HA PRO B 63 8.029 12.563 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO B 63 6.812 13.117 -3.197 1.00 0.00 H new ATOM 0 HB3 PRO B 63 8.366 13.646 -2.581 1.00 0.00 H new ATOM 0 HG2 PRO B 63 8.250 11.622 -4.316 1.00 0.00 H new ATOM 0 HG3 PRO B 63 9.393 11.566 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO B 63 6.806 10.040 -3.316 1.00 0.00 H new ATOM 0 HD3 PRO B 63 8.277 9.542 -2.502 1.00 0.00 H new ATOM 1963 N LEU B 64 5.846 13.185 0.559 1.00 0.00 N ATOM 1964 CA LEU B 64 4.662 13.891 1.112 1.00 0.00 C ATOM 1965 C LEU B 64 4.899 15.404 1.048 1.00 0.00 C ATOM 1966 O LEU B 64 4.108 16.186 1.532 1.00 0.00 O ATOM 1967 CB LEU B 64 4.413 13.466 2.578 1.00 0.00 C ATOM 1968 CG LEU B 64 5.725 13.288 3.394 1.00 0.00 C ATOM 1969 CD1 LEU B 64 6.411 11.930 3.113 1.00 0.00 C ATOM 1970 CD2 LEU B 64 6.702 14.447 3.126 1.00 0.00 C ATOM 0 H LEU B 64 6.484 12.806 1.259 1.00 0.00 H new ATOM 0 HA LEU B 64 3.785 13.628 0.520 1.00 0.00 H new ATOM 0 HB2 LEU B 64 3.788 14.214 3.066 1.00 0.00 H new ATOM 0 HB3 LEU B 64 3.856 12.529 2.589 1.00 0.00 H new ATOM 0 HG LEU B 64 5.444 13.300 4.447 1.00 0.00 H new ATOM 0 HD11 LEU B 64 7.322 11.853 3.706 1.00 0.00 H new ATOM 0 HD12 LEU B 64 5.734 11.118 3.381 1.00 0.00 H new ATOM 0 HD13 LEU B 64 6.660 11.860 2.054 1.00 0.00 H new ATOM 0 HD21 LEU B 64 7.611 14.299 3.709 1.00 0.00 H new ATOM 0 HD22 LEU B 64 6.951 14.475 2.065 1.00 0.00 H new ATOM 0 HD23 LEU B 64 6.236 15.389 3.414 1.00 0.00 H new