USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 944 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 104 GLN : amide:sc= 0 X(o=-2.6,f=-2.7) USER MOD Set 1.2: A 105 LYS NZ :NH3+ -147:sc= -2.62 (180deg=-5.09!) USER MOD Set 2.1: A 37 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 41 ASN :FLIP amide:sc= -0.499 F(o=-1.2,f=-0.5) USER MOD Set 3.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 8 THR OG1 : rot 106:sc= 1.07 USER MOD Set 4.2: A 78 THR OG1 : rot 170:sc= -0.868 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 98:sc= -0.652 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -54:sc= 1.31 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -9.31! C(o=-9.3!,f=-12!) USER MOD Single : A 26 SER OG : rot 48:sc= 1.24 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -4.66! C(o=-4.7!,f=-7.8!) USER MOD Single : A 30 GLN : amide:sc= -8.09! C(o=-8.1!,f=-13!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 30:sc= -0.205 USER MOD Single : A 45 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.21) USER MOD Single : A 48 HIS : no HE2:sc= -7.31! C(o=-7.3!,f=-9.4!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.29! C(o=-2.3!,f=-2.6!) USER MOD Single : A 60 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.00014) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= -0.453 (180deg=-0.489) USER MOD Single : A 75 ASN : amide:sc= 0.24 K(o=0.24,f=-1.3) USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= -0.174 (180deg=-0.324) USER MOD Single : A 84 MET CE :methyl 142:sc= -6.88! (180deg=-9.76!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.32) USER MOD Single : A 91 TYR OH : rot 149:sc= 1.22 USER MOD Single : A 93 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.11) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -13:sc= 0.656 USER MOD Single : A 106 ASN : amide:sc= -0.647 K(o=-0.65,f=-3.6!) USER MOD Single : A 113 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 114 ASN : amide:sc= 0.46 K(o=0.46,f=-0.18) USER MOD Single : A 115 SER OG : rot -120:sc= 0.0409 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 ASN : amide:sc=-0.00121 X(o=-0.0012,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.728 -5.304 27.397 1.00 0.00 N ATOM 2 CA GLY A 1 9.241 -5.287 25.999 1.00 0.00 C ATOM 3 C GLY A 1 8.319 -4.543 25.049 1.00 0.00 C ATOM 4 O GLY A 1 7.098 -4.701 25.112 1.00 0.00 O ATOM 0 H1 GLY A 1 9.393 -5.823 28.005 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.632 -4.328 27.744 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.800 -5.772 27.420 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.226 -4.821 25.983 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.367 -6.312 25.649 1.00 0.00 H new ATOM 10 N SER A 2 8.904 -3.729 24.169 1.00 0.00 N ATOM 11 CA SER A 2 8.129 -2.956 23.202 1.00 0.00 C ATOM 12 C SER A 2 8.778 -2.993 21.817 1.00 0.00 C ATOM 13 O SER A 2 8.218 -3.563 20.880 1.00 0.00 O ATOM 14 CB SER A 2 7.977 -1.510 23.679 1.00 0.00 C ATOM 15 OG SER A 2 6.637 -1.069 23.555 1.00 0.00 O ATOM 0 H SER A 2 9.912 -3.589 24.107 1.00 0.00 H new ATOM 0 HA SER A 2 7.140 -3.408 23.123 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.294 -1.432 24.719 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.632 -0.861 23.097 1.00 0.00 H new ATOM 0 HG SER A 2 6.567 -0.143 23.868 1.00 0.00 H new ATOM 21 N ARG A 3 9.960 -2.381 21.694 1.00 0.00 N ATOM 22 CA ARG A 3 10.683 -2.341 20.421 1.00 0.00 C ATOM 23 C ARG A 3 11.150 -3.737 20.012 1.00 0.00 C ATOM 24 O ARG A 3 12.128 -4.257 20.553 1.00 0.00 O ATOM 25 CB ARG A 3 11.885 -1.397 20.520 1.00 0.00 C ATOM 26 CG ARG A 3 12.070 -0.513 19.296 1.00 0.00 C ATOM 27 CD ARG A 3 13.134 -1.066 18.358 1.00 0.00 C ATOM 28 NE ARG A 3 14.105 -0.045 17.965 1.00 0.00 N ATOM 29 CZ ARG A 3 15.241 0.206 18.623 1.00 0.00 C ATOM 30 NH1 ARG A 3 15.560 -0.486 19.714 1.00 0.00 N ATOM 31 NH2 ARG A 3 16.061 1.155 18.186 1.00 0.00 N ATOM 0 H ARG A 3 10.436 -1.907 22.461 1.00 0.00 H new ATOM 0 HA ARG A 3 9.999 -1.969 19.658 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.768 -0.764 21.400 1.00 0.00 H new ATOM 0 HB3 ARG A 3 12.789 -1.988 20.671 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.123 -0.427 18.762 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.350 0.492 19.612 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.653 -1.891 18.846 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.655 -1.473 17.467 1.00 0.00 H new ATOM 0 HE ARG A 3 13.902 0.512 17.135 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.935 -1.216 20.056 1.00 0.00 H new ATOM 0 HH12 ARG A 3 16.429 -0.286 20.209 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.823 1.690 17.351 1.00 0.00 H new ATOM 0 HH22 ARG A 3 16.929 1.349 18.686 1.00 0.00 H new ATOM 45 N THR A 4 10.440 -4.340 19.055 1.00 0.00 N ATOM 46 CA THR A 4 10.780 -5.680 18.573 1.00 0.00 C ATOM 47 C THR A 4 10.127 -5.981 17.221 1.00 0.00 C ATOM 48 O THR A 4 10.787 -6.487 16.314 1.00 0.00 O ATOM 49 CB THR A 4 10.366 -6.751 19.592 1.00 0.00 C ATOM 50 OG1 THR A 4 9.305 -6.297 20.420 1.00 0.00 O ATOM 51 CG2 THR A 4 11.503 -7.190 20.491 1.00 0.00 C ATOM 0 H THR A 4 9.628 -3.922 18.600 1.00 0.00 H new ATOM 0 HA THR A 4 11.862 -5.705 18.445 1.00 0.00 H new ATOM 0 HB THR A 4 10.046 -7.603 18.992 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.063 -7.001 21.057 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.144 -7.948 21.188 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.307 -7.607 19.884 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.877 -6.332 21.049 1.00 0.00 H new ATOM 59 N SER A 5 8.829 -5.688 17.098 1.00 0.00 N ATOM 60 CA SER A 5 8.096 -5.952 15.858 1.00 0.00 C ATOM 61 C SER A 5 7.464 -4.688 15.279 1.00 0.00 C ATOM 62 O SER A 5 6.713 -3.985 15.959 1.00 0.00 O ATOM 63 CB SER A 5 7.006 -6.996 16.103 1.00 0.00 C ATOM 64 OG SER A 5 7.558 -8.216 16.563 1.00 0.00 O ATOM 0 H SER A 5 8.267 -5.270 17.839 1.00 0.00 H new ATOM 0 HA SER A 5 8.819 -6.327 15.133 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.294 -6.617 16.836 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.452 -7.170 15.181 1.00 0.00 H new ATOM 0 HG SER A 5 6.839 -8.865 16.713 1.00 0.00 H new ATOM 70 N ARG A 6 7.748 -4.435 14.001 1.00 0.00 N ATOM 71 CA ARG A 6 7.185 -3.289 13.289 1.00 0.00 C ATOM 72 C ARG A 6 5.932 -3.753 12.525 1.00 0.00 C ATOM 73 O ARG A 6 5.132 -4.490 13.103 1.00 0.00 O ATOM 74 CB ARG A 6 8.240 -2.623 12.384 1.00 0.00 C ATOM 75 CG ARG A 6 9.271 -3.566 11.786 1.00 0.00 C ATOM 76 CD ARG A 6 8.680 -4.436 10.688 1.00 0.00 C ATOM 77 NE ARG A 6 8.073 -5.655 11.218 1.00 0.00 N ATOM 78 CZ ARG A 6 8.766 -6.717 11.637 1.00 0.00 C ATOM 79 NH1 ARG A 6 10.097 -6.705 11.624 1.00 0.00 N ATOM 80 NH2 ARG A 6 8.126 -7.791 12.081 1.00 0.00 N ATOM 0 H ARG A 6 8.369 -5.013 13.435 1.00 0.00 H new ATOM 0 HA ARG A 6 6.883 -2.516 13.995 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.726 -2.110 11.571 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.762 -1.860 12.962 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.101 -2.986 11.382 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.679 -4.202 12.572 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.929 -3.867 10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.462 -4.701 9.976 1.00 0.00 H new ATOM 0 HE ARG A 6 7.055 -5.698 11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.596 -5.880 11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.618 -7.521 11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.106 -7.805 12.102 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.654 -8.603 12.401 1.00 0.00 H new ATOM 94 N ILE A 7 5.720 -3.353 11.256 1.00 0.00 N ATOM 95 CA ILE A 7 4.515 -3.801 10.551 1.00 0.00 C ATOM 96 C ILE A 7 4.653 -3.887 9.024 1.00 0.00 C ATOM 97 O ILE A 7 5.646 -3.459 8.443 1.00 0.00 O ATOM 98 CB ILE A 7 3.291 -2.909 10.874 1.00 0.00 C ATOM 99 CG1 ILE A 7 3.248 -1.658 9.982 1.00 0.00 C ATOM 100 CG2 ILE A 7 3.255 -2.513 12.344 1.00 0.00 C ATOM 101 CD1 ILE A 7 1.964 -1.528 9.181 1.00 0.00 C ATOM 0 H ILE A 7 6.341 -2.746 10.721 1.00 0.00 H new ATOM 0 HA ILE A 7 4.366 -4.814 10.925 1.00 0.00 H new ATOM 0 HB ILE A 7 2.404 -3.507 10.662 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.369 -0.772 10.606 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.094 -1.682 9.295 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.382 -1.888 12.531 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.198 -3.410 12.961 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.159 -1.958 12.593 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.003 -0.623 8.575 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.851 -2.396 8.531 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.115 -1.472 9.862 1.00 0.00 H new ATOM 113 N THR A 8 3.593 -4.423 8.399 1.00 0.00 N ATOM 114 CA THR A 8 3.486 -4.561 6.941 1.00 0.00 C ATOM 115 C THR A 8 2.353 -3.650 6.465 1.00 0.00 C ATOM 116 O THR A 8 1.366 -3.484 7.186 1.00 0.00 O ATOM 117 CB THR A 8 3.199 -6.028 6.568 1.00 0.00 C ATOM 118 OG1 THR A 8 4.379 -6.803 6.678 1.00 0.00 O ATOM 119 CG2 THR A 8 2.671 -6.222 5.160 1.00 0.00 C ATOM 0 H THR A 8 2.777 -4.776 8.899 1.00 0.00 H new ATOM 0 HA THR A 8 4.421 -4.273 6.460 1.00 0.00 H new ATOM 0 HB THR A 8 2.427 -6.347 7.268 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.331 -7.359 7.483 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.496 -7.283 4.980 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.735 -5.675 5.044 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.402 -5.848 4.443 1.00 0.00 H new ATOM 127 N ALA A 9 2.477 -3.030 5.283 1.00 0.00 N ATOM 128 CA ALA A 9 1.423 -2.128 4.828 1.00 0.00 C ATOM 129 C ALA A 9 0.600 -2.684 3.680 1.00 0.00 C ATOM 130 O ALA A 9 1.098 -2.898 2.578 1.00 0.00 O ATOM 131 CB ALA A 9 1.992 -0.773 4.455 1.00 0.00 C ATOM 0 H ALA A 9 3.269 -3.133 4.648 1.00 0.00 H new ATOM 0 HA ALA A 9 0.744 -2.017 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.186 -0.120 4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.479 -0.331 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.720 -0.892 3.653 1.00 0.00 H new ATOM 137 N LEU A 10 -0.681 -2.873 3.958 1.00 0.00 N ATOM 138 CA LEU A 10 -1.636 -3.360 2.978 1.00 0.00 C ATOM 139 C LEU A 10 -2.629 -2.244 2.676 1.00 0.00 C ATOM 140 O LEU A 10 -3.509 -1.964 3.485 1.00 0.00 O ATOM 141 CB LEU A 10 -2.354 -4.581 3.546 1.00 0.00 C ATOM 142 CG LEU A 10 -2.984 -5.514 2.524 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.726 -6.961 2.908 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.471 -5.246 2.431 1.00 0.00 C ATOM 0 H LEU A 10 -1.088 -2.691 4.875 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.132 -3.650 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.642 -5.153 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.134 -4.237 4.225 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.534 -5.331 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.182 -7.620 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.652 -7.142 2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.159 -7.160 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.917 -5.918 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.933 -5.414 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.636 -4.213 2.125 1.00 0.00 H new ATOM 156 N TYR A 11 -2.464 -1.582 1.531 1.00 0.00 N ATOM 157 CA TYR A 11 -3.341 -0.464 1.174 1.00 0.00 C ATOM 158 C TYR A 11 -4.093 -0.727 -0.135 1.00 0.00 C ATOM 159 O TYR A 11 -3.484 -1.098 -1.142 1.00 0.00 O ATOM 160 CB TYR A 11 -2.514 0.829 1.121 1.00 0.00 C ATOM 161 CG TYR A 11 -3.278 2.065 0.710 1.00 0.00 C ATOM 162 CD1 TYR A 11 -3.639 2.281 -0.611 1.00 0.00 C ATOM 163 CD2 TYR A 11 -3.616 3.029 1.648 1.00 0.00 C ATOM 164 CE1 TYR A 11 -4.316 3.425 -0.985 1.00 0.00 C ATOM 165 CE2 TYR A 11 -4.295 4.170 1.282 1.00 0.00 C ATOM 166 CZ TYR A 11 -4.642 4.365 -0.036 1.00 0.00 C ATOM 167 OH TYR A 11 -5.313 5.506 -0.406 1.00 0.00 O ATOM 0 H TYR A 11 -1.742 -1.795 0.842 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.109 -0.354 1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.077 1.002 2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.687 0.684 0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.387 1.544 -1.359 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.342 2.883 2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.588 3.581 -2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.554 4.909 2.026 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.270 5.394 -0.229 1.00 0.00 H new ATOM 177 N GLU A 12 -5.431 -0.562 -0.108 1.00 0.00 N ATOM 178 CA GLU A 12 -6.254 -0.819 -1.300 1.00 0.00 C ATOM 179 C GLU A 12 -7.434 0.156 -1.438 1.00 0.00 C ATOM 180 O GLU A 12 -7.792 0.855 -0.493 1.00 0.00 O ATOM 181 CB GLU A 12 -6.779 -2.255 -1.255 1.00 0.00 C ATOM 182 CG GLU A 12 -7.121 -2.832 -2.619 1.00 0.00 C ATOM 183 CD GLU A 12 -6.354 -4.102 -2.924 1.00 0.00 C ATOM 184 OE1 GLU A 12 -6.788 -5.181 -2.475 1.00 0.00 O ATOM 185 OE2 GLU A 12 -5.319 -4.019 -3.610 1.00 0.00 O ATOM 0 H GLU A 12 -5.955 -0.257 0.713 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.614 -0.669 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.030 -2.890 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.668 -2.286 -0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.190 -3.038 -2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.907 -2.089 -3.388 1.00 0.00 H new ATOM 192 N ARG A 13 -8.039 0.176 -2.637 1.00 0.00 N ATOM 193 CA ARG A 13 -9.187 1.037 -2.931 1.00 0.00 C ATOM 194 C ARG A 13 -10.089 0.384 -3.985 1.00 0.00 C ATOM 195 O ARG A 13 -9.619 -0.037 -5.043 1.00 0.00 O ATOM 196 CB ARG A 13 -8.725 2.438 -3.378 1.00 0.00 C ATOM 197 CG ARG A 13 -9.332 2.929 -4.681 1.00 0.00 C ATOM 198 CD ARG A 13 -8.937 4.372 -4.949 1.00 0.00 C ATOM 199 NE ARG A 13 -8.676 4.627 -6.365 1.00 0.00 N ATOM 200 CZ ARG A 13 -7.667 4.085 -7.059 1.00 0.00 C ATOM 201 NH1 ARG A 13 -6.835 3.211 -6.489 1.00 0.00 N ATOM 202 NH2 ARG A 13 -7.496 4.413 -8.335 1.00 0.00 N ATOM 0 H ARG A 13 -7.745 -0.403 -3.424 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.769 1.160 -2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.966 3.152 -2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.640 2.431 -3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.999 2.297 -5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.418 2.847 -4.636 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.732 5.033 -4.605 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.047 4.615 -4.369 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.305 5.261 -6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.963 2.947 -5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.071 2.807 -7.030 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.131 5.074 -8.781 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.729 4.003 -8.869 1.00 0.00 H new ATOM 216 N LEU A 14 -11.383 0.287 -3.671 1.00 0.00 N ATOM 217 CA LEU A 14 -12.359 -0.331 -4.568 1.00 0.00 C ATOM 218 C LEU A 14 -13.506 0.637 -4.868 1.00 0.00 C ATOM 219 O LEU A 14 -14.125 1.189 -3.956 1.00 0.00 O ATOM 220 CB LEU A 14 -12.880 -1.646 -3.938 1.00 0.00 C ATOM 221 CG LEU A 14 -14.347 -2.028 -4.202 1.00 0.00 C ATOM 222 CD1 LEU A 14 -15.266 -1.332 -3.214 1.00 0.00 C ATOM 223 CD2 LEU A 14 -14.769 -1.735 -5.637 1.00 0.00 C ATOM 0 H LEU A 14 -11.780 0.631 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.877 -0.568 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -12.251 -2.462 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -12.738 -1.581 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.432 -3.105 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.299 -1.615 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.001 -1.629 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.159 -0.252 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.812 -2.021 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.655 -0.670 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.142 -2.304 -6.324 1.00 0.00 H new ATOM 235 N SER A 15 -13.785 0.826 -6.160 1.00 0.00 N ATOM 236 CA SER A 15 -14.862 1.708 -6.602 1.00 0.00 C ATOM 237 C SER A 15 -16.032 0.889 -7.150 1.00 0.00 C ATOM 238 O SER A 15 -15.875 0.128 -8.108 1.00 0.00 O ATOM 239 CB SER A 15 -14.353 2.676 -7.674 1.00 0.00 C ATOM 240 OG SER A 15 -15.410 3.464 -8.199 1.00 0.00 O ATOM 0 H SER A 15 -13.275 0.376 -6.920 1.00 0.00 H new ATOM 0 HA SER A 15 -15.208 2.284 -5.744 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.589 3.326 -7.247 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.880 2.114 -8.480 1.00 0.00 H new ATOM 0 HG SER A 15 -15.056 4.074 -8.880 1.00 0.00 H new ATOM 246 N ARG A 16 -17.203 1.049 -6.533 1.00 0.00 N ATOM 247 CA ARG A 16 -18.404 0.324 -6.953 1.00 0.00 C ATOM 248 C ARG A 16 -19.064 0.967 -8.176 1.00 0.00 C ATOM 249 O ARG A 16 -19.969 0.383 -8.774 1.00 0.00 O ATOM 250 CB ARG A 16 -19.409 0.241 -5.804 1.00 0.00 C ATOM 251 CG ARG A 16 -19.733 -1.184 -5.387 1.00 0.00 C ATOM 252 CD ARG A 16 -18.509 -1.896 -4.830 1.00 0.00 C ATOM 253 NE ARG A 16 -18.722 -2.364 -3.462 1.00 0.00 N ATOM 254 CZ ARG A 16 -19.427 -3.452 -3.143 1.00 0.00 C ATOM 255 NH1 ARG A 16 -20.008 -4.185 -4.089 1.00 0.00 N ATOM 256 NH2 ARG A 16 -19.560 -3.804 -1.871 1.00 0.00 N ATOM 0 H ARG A 16 -17.346 1.674 -5.740 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.091 -0.682 -7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -19.013 0.782 -4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.330 0.743 -6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -20.522 -1.173 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.117 -1.736 -6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -18.261 -2.744 -5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -17.655 -1.219 -4.853 1.00 0.00 H new ATOM 0 HE ARG A 16 -18.306 -1.825 -2.703 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -19.917 -3.918 -5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -20.544 -5.014 -3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -19.124 -3.244 -1.139 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -20.098 -4.635 -1.625 1.00 0.00 H new ATOM 270 N ASP A 17 -18.605 2.163 -8.549 1.00 0.00 N ATOM 271 CA ASP A 17 -19.152 2.872 -9.706 1.00 0.00 C ATOM 272 C ASP A 17 -18.691 2.232 -11.016 1.00 0.00 C ATOM 273 O ASP A 17 -19.256 2.503 -12.076 1.00 0.00 O ATOM 274 CB ASP A 17 -18.738 4.344 -9.672 1.00 0.00 C ATOM 275 CG ASP A 17 -19.246 5.056 -8.434 1.00 0.00 C ATOM 276 OD1 ASP A 17 -20.451 5.381 -8.390 1.00 0.00 O ATOM 277 OD2 ASP A 17 -18.440 5.285 -7.510 1.00 0.00 O ATOM 0 H ASP A 17 -17.856 2.660 -8.067 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.239 2.804 -9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.651 4.414 -9.708 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -19.120 4.847 -10.560 1.00 0.00 H new ATOM 282 N ASP A 18 -17.661 1.386 -10.935 1.00 0.00 N ATOM 283 CA ASP A 18 -17.122 0.710 -12.107 1.00 0.00 C ATOM 284 C ASP A 18 -18.010 -0.463 -12.532 1.00 0.00 C ATOM 285 O ASP A 18 -18.851 -0.930 -11.762 1.00 0.00 O ATOM 286 CB ASP A 18 -15.705 0.225 -11.810 1.00 0.00 C ATOM 287 CG ASP A 18 -14.685 1.343 -11.893 1.00 0.00 C ATOM 288 OD1 ASP A 18 -14.272 1.690 -13.019 1.00 0.00 O ATOM 289 OD2 ASP A 18 -14.301 1.875 -10.831 1.00 0.00 O ATOM 0 H ASP A 18 -17.185 1.155 -10.063 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.097 1.420 -12.934 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.676 -0.217 -10.814 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.437 -0.561 -12.516 1.00 0.00 H new ATOM 294 N ASP A 19 -17.820 -0.923 -13.770 1.00 0.00 N ATOM 295 CA ASP A 19 -18.601 -2.030 -14.324 1.00 0.00 C ATOM 296 C ASP A 19 -17.989 -3.403 -13.997 1.00 0.00 C ATOM 297 O ASP A 19 -18.337 -4.403 -14.628 1.00 0.00 O ATOM 298 CB ASP A 19 -18.722 -1.868 -15.844 1.00 0.00 C ATOM 299 CG ASP A 19 -20.162 -1.856 -16.316 1.00 0.00 C ATOM 300 OD1 ASP A 19 -20.835 -2.901 -16.199 1.00 0.00 O ATOM 301 OD2 ASP A 19 -20.617 -0.802 -16.806 1.00 0.00 O ATOM 0 H ASP A 19 -17.126 -0.542 -14.413 1.00 0.00 H new ATOM 0 HA ASP A 19 -19.587 -1.995 -13.861 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.237 -0.940 -16.147 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.189 -2.682 -16.336 1.00 0.00 H new ATOM 306 N LEU A 20 -17.075 -3.450 -13.023 1.00 0.00 N ATOM 307 CA LEU A 20 -16.421 -4.708 -12.641 1.00 0.00 C ATOM 308 C LEU A 20 -17.316 -5.552 -11.723 1.00 0.00 C ATOM 309 O LEU A 20 -18.029 -6.435 -12.200 1.00 0.00 O ATOM 310 CB LEU A 20 -15.053 -4.453 -11.970 1.00 0.00 C ATOM 311 CG LEU A 20 -14.679 -2.985 -11.715 1.00 0.00 C ATOM 312 CD1 LEU A 20 -15.372 -2.455 -10.464 1.00 0.00 C ATOM 313 CD2 LEU A 20 -13.170 -2.835 -11.591 1.00 0.00 C ATOM 0 H LEU A 20 -16.772 -2.637 -12.487 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.251 -5.269 -13.560 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.037 -4.980 -11.016 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.278 -4.899 -12.594 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.019 -2.395 -12.566 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -15.091 -1.414 -10.306 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -16.453 -2.524 -10.590 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.069 -3.048 -9.601 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.922 -1.789 -11.411 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.811 -3.442 -10.760 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.694 -3.167 -12.514 1.00 0.00 H new ATOM 325 N THR A 21 -17.270 -5.273 -10.412 1.00 0.00 N ATOM 326 CA THR A 21 -18.065 -5.995 -9.407 1.00 0.00 C ATOM 327 C THR A 21 -17.628 -7.459 -9.275 1.00 0.00 C ATOM 328 O THR A 21 -17.503 -8.179 -10.268 1.00 0.00 O ATOM 329 CB THR A 21 -19.573 -5.894 -9.708 1.00 0.00 C ATOM 330 OG1 THR A 21 -20.011 -6.944 -10.557 1.00 0.00 O ATOM 331 CG2 THR A 21 -19.971 -4.580 -10.353 1.00 0.00 C ATOM 0 H THR A 21 -16.680 -4.540 -10.018 1.00 0.00 H new ATOM 0 HA THR A 21 -17.880 -5.513 -8.447 1.00 0.00 H new ATOM 0 HB THR A 21 -20.053 -5.966 -8.732 1.00 0.00 H new ATOM 0 HG1 THR A 21 -19.465 -6.956 -11.371 1.00 0.00 H new ATOM 0 HG21 THR A 21 -21.045 -4.576 -10.538 1.00 0.00 H new ATOM 0 HG22 THR A 21 -19.714 -3.756 -9.688 1.00 0.00 H new ATOM 0 HG23 THR A 21 -19.440 -4.463 -11.298 1.00 0.00 H new ATOM 339 N GLY A 22 -17.388 -7.886 -8.030 1.00 0.00 N ATOM 340 CA GLY A 22 -16.959 -9.253 -7.766 1.00 0.00 C ATOM 341 C GLY A 22 -15.961 -9.339 -6.619 1.00 0.00 C ATOM 342 O GLY A 22 -15.968 -8.494 -5.720 1.00 0.00 O ATOM 0 H GLY A 22 -17.484 -7.304 -7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.830 -9.865 -7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -16.509 -9.670 -8.667 1.00 0.00 H new ATOM 346 N GLU A 23 -15.097 -10.360 -6.652 1.00 0.00 N ATOM 347 CA GLU A 23 -14.081 -10.552 -5.611 1.00 0.00 C ATOM 348 C GLU A 23 -13.062 -9.415 -5.612 1.00 0.00 C ATOM 349 O GLU A 23 -12.481 -9.094 -4.576 1.00 0.00 O ATOM 350 CB GLU A 23 -13.359 -11.888 -5.797 1.00 0.00 C ATOM 351 CG GLU A 23 -12.259 -12.125 -4.773 1.00 0.00 C ATOM 352 CD GLU A 23 -12.799 -12.313 -3.368 1.00 0.00 C ATOM 353 OE1 GLU A 23 -13.473 -13.334 -3.122 1.00 0.00 O ATOM 354 OE2 GLU A 23 -12.549 -11.438 -2.513 1.00 0.00 O ATOM 0 H GLU A 23 -15.081 -11.066 -7.388 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.597 -10.555 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.086 -12.698 -5.733 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.928 -11.924 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.686 -13.007 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.570 -11.280 -4.783 1.00 0.00 H new ATOM 361 N SER A 24 -12.845 -8.812 -6.776 1.00 0.00 N ATOM 362 CA SER A 24 -11.896 -7.714 -6.903 1.00 0.00 C ATOM 363 C SER A 24 -12.560 -6.352 -6.664 1.00 0.00 C ATOM 364 O SER A 24 -11.928 -5.315 -6.874 1.00 0.00 O ATOM 365 CB SER A 24 -11.242 -7.742 -8.287 1.00 0.00 C ATOM 366 OG SER A 24 -10.304 -8.800 -8.387 1.00 0.00 O ATOM 0 H SER A 24 -13.314 -9.066 -7.645 1.00 0.00 H new ATOM 0 HA SER A 24 -11.133 -7.849 -6.136 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.009 -7.858 -9.053 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.744 -6.791 -8.477 1.00 0.00 H new ATOM 0 HG SER A 24 -9.902 -8.797 -9.281 1.00 0.00 H new ATOM 372 N ASN A 25 -13.840 -6.344 -6.252 1.00 0.00 N ATOM 373 CA ASN A 25 -14.550 -5.081 -6.035 1.00 0.00 C ATOM 374 C ASN A 25 -15.603 -5.164 -4.915 1.00 0.00 C ATOM 375 O ASN A 25 -16.789 -5.355 -5.189 1.00 0.00 O ATOM 376 CB ASN A 25 -15.215 -4.644 -7.348 1.00 0.00 C ATOM 377 CG ASN A 25 -14.445 -5.111 -8.570 1.00 0.00 C ATOM 378 OD1 ASN A 25 -13.647 -4.367 -9.134 1.00 0.00 O ATOM 379 ND2 ASN A 25 -14.666 -6.358 -8.970 1.00 0.00 N ATOM 0 H ASN A 25 -14.391 -7.182 -6.067 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.813 -4.345 -5.714 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -16.230 -5.040 -7.388 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -15.297 -3.557 -7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.164 -6.732 -9.775 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -15.338 -6.942 -8.472 1.00 0.00 H new ATOM 386 N SER A 26 -15.167 -4.986 -3.656 1.00 0.00 N ATOM 387 CA SER A 26 -16.087 -5.009 -2.503 1.00 0.00 C ATOM 388 C SER A 26 -15.394 -4.630 -1.184 1.00 0.00 C ATOM 389 O SER A 26 -15.840 -5.043 -0.114 1.00 0.00 O ATOM 390 CB SER A 26 -16.715 -6.388 -2.346 1.00 0.00 C ATOM 391 OG SER A 26 -17.922 -6.497 -3.078 1.00 0.00 O ATOM 0 H SER A 26 -14.190 -4.826 -3.411 1.00 0.00 H new ATOM 0 HA SER A 26 -16.855 -4.264 -2.711 1.00 0.00 H new ATOM 0 HB2 SER A 26 -16.013 -7.149 -2.686 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.910 -6.582 -1.291 1.00 0.00 H new ATOM 0 HG SER A 26 -17.783 -6.166 -3.990 1.00 0.00 H new ATOM 397 N ILE A 27 -14.315 -3.847 -1.258 1.00 0.00 N ATOM 398 CA ILE A 27 -13.578 -3.423 -0.066 1.00 0.00 C ATOM 399 C ILE A 27 -13.019 -4.635 0.703 1.00 0.00 C ATOM 400 O ILE A 27 -11.865 -5.013 0.506 1.00 0.00 O ATOM 401 CB ILE A 27 -14.454 -2.541 0.853 1.00 0.00 C ATOM 402 CG1 ILE A 27 -14.552 -1.107 0.301 1.00 0.00 C ATOM 403 CG2 ILE A 27 -13.920 -2.522 2.282 1.00 0.00 C ATOM 404 CD1 ILE A 27 -13.219 -0.468 -0.040 1.00 0.00 C ATOM 0 H ILE A 27 -13.932 -3.493 -2.134 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.734 -2.819 -0.400 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.452 -2.978 0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -15.174 -1.118 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -15.062 -0.483 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.559 -1.893 2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.913 -3.536 2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.905 -2.124 2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.385 0.540 -0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.599 -0.420 0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.713 -1.064 -0.800 1.00 0.00 H new ATOM 416 N THR A 28 -13.836 -5.257 1.560 1.00 0.00 N ATOM 417 CA THR A 28 -13.397 -6.431 2.322 1.00 0.00 C ATOM 418 C THR A 28 -12.841 -7.505 1.380 1.00 0.00 C ATOM 419 O THR A 28 -11.920 -8.244 1.739 1.00 0.00 O ATOM 420 CB THR A 28 -14.555 -6.983 3.167 1.00 0.00 C ATOM 421 OG1 THR A 28 -14.147 -7.176 4.511 1.00 0.00 O ATOM 422 CG2 THR A 28 -15.107 -8.299 2.668 1.00 0.00 C ATOM 0 H THR A 28 -14.798 -4.970 1.743 1.00 0.00 H new ATOM 0 HA THR A 28 -12.597 -6.130 2.999 1.00 0.00 H new ATOM 0 HB THR A 28 -15.341 -6.231 3.088 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.898 -7.526 5.034 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.921 -8.622 3.317 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.481 -8.175 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.318 -9.051 2.674 1.00 0.00 H new ATOM 430 N ASN A 29 -13.402 -7.575 0.169 1.00 0.00 N ATOM 431 CA ASN A 29 -12.964 -8.543 -0.826 1.00 0.00 C ATOM 432 C ASN A 29 -11.521 -8.268 -1.262 1.00 0.00 C ATOM 433 O ASN A 29 -10.686 -9.179 -1.242 1.00 0.00 O ATOM 434 CB ASN A 29 -13.906 -8.531 -2.034 1.00 0.00 C ATOM 435 CG ASN A 29 -15.293 -9.062 -1.705 1.00 0.00 C ATOM 436 OD1 ASN A 29 -15.695 -9.110 -0.543 1.00 0.00 O ATOM 437 ND2 ASN A 29 -16.037 -9.456 -2.733 1.00 0.00 N ATOM 0 H ASN A 29 -14.162 -6.969 -0.141 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.994 -9.534 -0.373 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.992 -7.512 -2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.472 -9.132 -2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.979 -9.814 -2.573 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.667 -9.400 -3.682 1.00 0.00 H new ATOM 444 N GLN A 30 -11.207 -7.013 -1.633 1.00 0.00 N ATOM 445 CA GLN A 30 -9.832 -6.694 -2.034 1.00 0.00 C ATOM 446 C GLN A 30 -8.890 -6.932 -0.858 1.00 0.00 C ATOM 447 O GLN A 30 -7.773 -7.421 -1.047 1.00 0.00 O ATOM 448 CB GLN A 30 -9.619 -5.259 -2.560 1.00 0.00 C ATOM 449 CG GLN A 30 -10.850 -4.390 -2.743 1.00 0.00 C ATOM 450 CD GLN A 30 -10.677 -3.057 -2.054 1.00 0.00 C ATOM 451 OE1 GLN A 30 -10.423 -2.042 -2.692 1.00 0.00 O ATOM 452 NE2 GLN A 30 -10.783 -3.067 -0.737 1.00 0.00 N ATOM 0 H GLN A 30 -11.862 -6.232 -1.663 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.616 -7.357 -2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.944 -4.746 -1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.108 -5.325 -3.521 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.034 -4.233 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.724 -4.901 -2.340 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.996 -3.937 -0.249 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.652 -2.205 -0.208 1.00 0.00 H new ATOM 461 N LYS A 31 -9.354 -6.611 0.363 1.00 0.00 N ATOM 462 CA LYS A 31 -8.547 -6.830 1.559 1.00 0.00 C ATOM 463 C LYS A 31 -8.018 -8.259 1.530 1.00 0.00 C ATOM 464 O LYS A 31 -6.814 -8.494 1.619 1.00 0.00 O ATOM 465 CB LYS A 31 -9.361 -6.580 2.835 1.00 0.00 C ATOM 466 CG LYS A 31 -10.023 -5.213 2.887 1.00 0.00 C ATOM 467 CD LYS A 31 -9.931 -4.615 4.279 1.00 0.00 C ATOM 468 CE LYS A 31 -11.303 -4.378 4.886 1.00 0.00 C ATOM 469 NZ LYS A 31 -11.625 -2.927 5.004 1.00 0.00 N ATOM 0 H LYS A 31 -10.273 -6.205 0.539 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.716 -6.125 1.567 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.130 -7.348 2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.705 -6.688 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.545 -4.546 2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.069 -5.301 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.359 -5.283 4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.386 -3.672 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.059 -4.867 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.346 -4.839 5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.570 -2.814 5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.919 -2.463 5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.610 -2.490 4.060 1.00 0.00 H new ATOM 483 N LYS A 32 -8.941 -9.204 1.349 1.00 0.00 N ATOM 484 CA LYS A 32 -8.598 -10.622 1.249 1.00 0.00 C ATOM 485 C LYS A 32 -7.576 -10.860 0.131 1.00 0.00 C ATOM 486 O LYS A 32 -6.696 -11.710 0.262 1.00 0.00 O ATOM 487 CB LYS A 32 -9.855 -11.453 0.977 1.00 0.00 C ATOM 488 CG LYS A 32 -10.499 -12.031 2.228 1.00 0.00 C ATOM 489 CD LYS A 32 -11.984 -12.306 2.026 1.00 0.00 C ATOM 490 CE LYS A 32 -12.285 -12.796 0.615 1.00 0.00 C ATOM 491 NZ LYS A 32 -13.451 -13.722 0.575 1.00 0.00 N ATOM 0 H LYS A 32 -9.939 -9.010 1.268 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.158 -10.929 2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.585 -10.830 0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.599 -12.270 0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.992 -12.956 2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.368 -11.337 3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.316 -13.052 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.552 -11.397 2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.481 -11.940 -0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.407 -13.303 0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.617 -14.029 -0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.255 -14.553 1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.296 -13.232 0.933 1.00 0.00 H new ATOM 505 N TYR A 33 -7.707 -10.107 -0.972 1.00 0.00 N ATOM 506 CA TYR A 33 -6.796 -10.239 -2.120 1.00 0.00 C ATOM 507 C TYR A 33 -5.334 -10.073 -1.703 1.00 0.00 C ATOM 508 O TYR A 33 -4.544 -11.030 -1.752 1.00 0.00 O ATOM 509 CB TYR A 33 -7.124 -9.185 -3.187 1.00 0.00 C ATOM 510 CG TYR A 33 -6.420 -9.425 -4.502 1.00 0.00 C ATOM 511 CD1 TYR A 33 -6.898 -10.356 -5.416 1.00 0.00 C ATOM 512 CD2 TYR A 33 -5.265 -8.726 -4.823 1.00 0.00 C ATOM 513 CE1 TYR A 33 -6.240 -10.580 -6.610 1.00 0.00 C ATOM 514 CE2 TYR A 33 -4.606 -8.942 -6.006 1.00 0.00 C ATOM 515 CZ TYR A 33 -5.093 -9.871 -6.900 1.00 0.00 C ATOM 516 OH TYR A 33 -4.438 -10.089 -8.088 1.00 0.00 O ATOM 0 H TYR A 33 -8.434 -9.401 -1.093 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.936 -11.241 -2.525 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.201 -9.173 -3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.849 -8.200 -2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.796 -10.912 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.877 -7.997 -4.127 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.622 -11.306 -7.312 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.709 -8.386 -6.236 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.084 -10.359 -8.773 1.00 0.00 H new ATOM 526 N LEU A 34 -4.976 -8.859 -1.272 1.00 0.00 N ATOM 527 CA LEU A 34 -3.613 -8.593 -0.839 1.00 0.00 C ATOM 528 C LEU A 34 -3.243 -9.556 0.279 1.00 0.00 C ATOM 529 O LEU A 34 -2.104 -10.004 0.366 1.00 0.00 O ATOM 530 CB LEU A 34 -3.465 -7.152 -0.352 1.00 0.00 C ATOM 531 CG LEU A 34 -3.328 -6.080 -1.440 1.00 0.00 C ATOM 532 CD1 LEU A 34 -3.860 -6.568 -2.773 1.00 0.00 C ATOM 533 CD2 LEU A 34 -4.045 -4.817 -1.014 1.00 0.00 C ATOM 0 H LEU A 34 -5.606 -8.059 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.943 -8.736 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.331 -6.907 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.589 -7.097 0.295 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.268 -5.864 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.747 -5.782 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.302 -7.450 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.915 -6.823 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.943 -4.061 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.101 -5.034 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.608 -4.445 -0.087 1.00 0.00 H new ATOM 545 N GLU A 35 -4.230 -9.897 1.117 1.00 0.00 N ATOM 546 CA GLU A 35 -4.002 -10.839 2.200 1.00 0.00 C ATOM 547 C GLU A 35 -3.450 -12.133 1.621 1.00 0.00 C ATOM 548 O GLU A 35 -2.395 -12.609 2.039 1.00 0.00 O ATOM 549 CB GLU A 35 -5.288 -11.102 2.986 1.00 0.00 C ATOM 550 CG GLU A 35 -5.119 -10.920 4.487 1.00 0.00 C ATOM 551 CD GLU A 35 -5.652 -12.093 5.285 1.00 0.00 C ATOM 552 OE1 GLU A 35 -5.035 -13.177 5.229 1.00 0.00 O ATOM 553 OE2 GLU A 35 -6.685 -11.928 5.966 1.00 0.00 O ATOM 0 H GLU A 35 -5.182 -9.535 1.061 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.280 -10.413 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.068 -10.429 2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.628 -12.118 2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.062 -10.782 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.634 -10.011 4.798 1.00 0.00 H new ATOM 560 N ASP A 36 -4.155 -12.661 0.613 1.00 0.00 N ATOM 561 CA ASP A 36 -3.739 -13.875 -0.091 1.00 0.00 C ATOM 562 C ASP A 36 -2.282 -13.755 -0.535 1.00 0.00 C ATOM 563 O ASP A 36 -1.548 -14.744 -0.574 1.00 0.00 O ATOM 564 CB ASP A 36 -4.634 -14.103 -1.310 1.00 0.00 C ATOM 565 CG ASP A 36 -4.773 -15.568 -1.673 1.00 0.00 C ATOM 566 OD1 ASP A 36 -3.954 -16.060 -2.475 1.00 0.00 O ATOM 567 OD2 ASP A 36 -5.705 -16.221 -1.161 1.00 0.00 O ATOM 0 H ASP A 36 -5.026 -12.259 0.265 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.833 -14.723 0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.622 -13.687 -1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.225 -13.560 -2.162 1.00 0.00 H new ATOM 572 N TYR A 37 -1.873 -12.526 -0.855 1.00 0.00 N ATOM 573 CA TYR A 37 -0.504 -12.255 -1.281 1.00 0.00 C ATOM 574 C TYR A 37 0.449 -12.283 -0.088 1.00 0.00 C ATOM 575 O TYR A 37 1.344 -13.120 -0.025 1.00 0.00 O ATOM 576 CB TYR A 37 -0.420 -10.895 -1.983 1.00 0.00 C ATOM 577 CG TYR A 37 0.996 -10.413 -2.213 1.00 0.00 C ATOM 578 CD1 TYR A 37 1.701 -9.785 -1.201 1.00 0.00 C ATOM 579 CD2 TYR A 37 1.628 -10.603 -3.429 1.00 0.00 C ATOM 580 CE1 TYR A 37 3.001 -9.360 -1.392 1.00 0.00 C ATOM 581 CE2 TYR A 37 2.926 -10.178 -3.634 1.00 0.00 C ATOM 582 CZ TYR A 37 3.609 -9.558 -2.611 1.00 0.00 C ATOM 583 OH TYR A 37 4.904 -9.137 -2.807 1.00 0.00 O ATOM 0 H TYR A 37 -2.474 -11.702 -0.826 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.208 -13.035 -1.983 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.932 -10.960 -2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.953 -10.155 -1.386 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.226 -9.624 -0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.097 -11.092 -4.232 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.537 -8.875 -0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.403 -10.331 -4.591 1.00 0.00 H new ATOM 0 HH TYR A 37 5.265 -9.555 -3.617 1.00 0.00 H new ATOM 593 N ALA A 38 0.262 -11.352 0.849 1.00 0.00 N ATOM 594 CA ALA A 38 1.116 -11.270 2.033 1.00 0.00 C ATOM 595 C ALA A 38 1.335 -12.635 2.678 1.00 0.00 C ATOM 596 O ALA A 38 2.416 -12.903 3.194 1.00 0.00 O ATOM 597 CB ALA A 38 0.531 -10.314 3.051 1.00 0.00 C ATOM 0 H ALA A 38 -0.473 -10.645 0.810 1.00 0.00 H new ATOM 0 HA ALA A 38 2.084 -10.896 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.182 -10.268 3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.445 -9.321 2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.456 -10.664 3.353 1.00 0.00 H new ATOM 603 N ARG A 39 0.318 -13.501 2.641 1.00 0.00 N ATOM 604 CA ARG A 39 0.456 -14.839 3.225 1.00 0.00 C ATOM 605 C ARG A 39 1.282 -15.725 2.302 1.00 0.00 C ATOM 606 O ARG A 39 2.210 -16.400 2.749 1.00 0.00 O ATOM 607 CB ARG A 39 -0.901 -15.479 3.515 1.00 0.00 C ATOM 608 CG ARG A 39 -1.846 -15.503 2.332 1.00 0.00 C ATOM 609 CD ARG A 39 -3.279 -15.248 2.779 1.00 0.00 C ATOM 610 NE ARG A 39 -4.197 -16.289 2.315 1.00 0.00 N ATOM 611 CZ ARG A 39 -5.475 -16.072 1.993 1.00 0.00 C ATOM 612 NH1 ARG A 39 -6.004 -14.857 2.095 1.00 0.00 N ATOM 613 NH2 ARG A 39 -6.231 -17.079 1.570 1.00 0.00 N ATOM 0 H ARG A 39 -0.592 -13.306 2.222 1.00 0.00 H new ATOM 0 HA ARG A 39 0.971 -14.736 4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.741 -16.501 3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.376 -14.939 4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.547 -14.747 1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.783 -16.469 1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.314 -15.194 3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.609 -14.280 2.401 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.838 -17.240 2.232 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.433 -14.078 2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.981 -14.704 1.846 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.835 -18.016 1.492 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.207 -16.915 1.324 1.00 0.00 H new ATOM 627 N ARG A 40 0.967 -15.687 1.005 1.00 0.00 N ATOM 628 CA ARG A 40 1.712 -16.457 0.014 1.00 0.00 C ATOM 629 C ARG A 40 3.167 -15.967 -0.053 1.00 0.00 C ATOM 630 O ARG A 40 4.043 -16.665 -0.565 1.00 0.00 O ATOM 631 CB ARG A 40 1.028 -16.357 -1.361 1.00 0.00 C ATOM 632 CG ARG A 40 1.461 -15.169 -2.207 1.00 0.00 C ATOM 633 CD ARG A 40 0.716 -15.132 -3.532 1.00 0.00 C ATOM 634 NE ARG A 40 1.038 -13.941 -4.319 1.00 0.00 N ATOM 635 CZ ARG A 40 2.152 -13.800 -5.043 1.00 0.00 C ATOM 636 NH1 ARG A 40 3.076 -14.755 -5.049 1.00 0.00 N ATOM 637 NH2 ARG A 40 2.342 -12.699 -5.761 1.00 0.00 N ATOM 0 H ARG A 40 0.203 -15.132 0.620 1.00 0.00 H new ATOM 0 HA ARG A 40 1.721 -17.506 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.228 -17.273 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.050 -16.304 -1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.279 -14.244 -1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.534 -15.224 -2.392 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.962 -16.023 -4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.357 -15.161 -3.343 1.00 0.00 H new ATOM 0 HE ARG A 40 0.370 -13.170 -4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.937 -15.602 -4.499 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.924 -14.641 -5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.638 -11.961 -5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.192 -12.591 -6.314 1.00 0.00 H new ATOM 651 N ASN A 41 3.405 -14.757 0.474 1.00 0.00 N ATOM 652 CA ASN A 41 4.729 -14.149 0.488 1.00 0.00 C ATOM 653 C ASN A 41 5.422 -14.332 1.843 1.00 0.00 C ATOM 654 O ASN A 41 6.621 -14.613 1.898 1.00 0.00 O ATOM 655 CB ASN A 41 4.598 -12.661 0.155 1.00 0.00 C ATOM 656 CG ASN A 41 4.656 -12.400 -1.336 1.00 0.00 C ATOM 657 OD1 ASN A 41 3.571 -12.714 -2.035 1.00 0.00 O flip ATOM 658 ND2 ASN A 41 5.661 -11.919 -1.854 1.00 0.00 N flip ATOM 0 H ASN A 41 2.681 -14.179 0.900 1.00 0.00 H new ATOM 0 HA ASN A 41 5.347 -14.645 -0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.656 -12.283 0.552 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.396 -12.108 0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.473 -11.693 -1.279 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.684 -11.746 -2.859 1.00 0.00 H new ATOM 665 N GLY A 42 4.660 -14.174 2.928 1.00 0.00 N ATOM 666 CA GLY A 42 5.210 -14.327 4.272 1.00 0.00 C ATOM 667 C GLY A 42 5.441 -13.002 4.997 1.00 0.00 C ATOM 668 O GLY A 42 6.533 -12.762 5.512 1.00 0.00 O ATOM 0 H GLY A 42 3.667 -13.942 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.532 -14.941 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.155 -14.866 4.209 1.00 0.00 H new ATOM 672 N PHE A 43 4.419 -12.140 5.036 1.00 0.00 N ATOM 673 CA PHE A 43 4.530 -10.835 5.702 1.00 0.00 C ATOM 674 C PHE A 43 3.686 -10.774 6.981 1.00 0.00 C ATOM 675 O PHE A 43 2.561 -11.273 7.018 1.00 0.00 O ATOM 676 CB PHE A 43 4.097 -9.723 4.744 1.00 0.00 C ATOM 677 CG PHE A 43 4.979 -9.591 3.537 1.00 0.00 C ATOM 678 CD1 PHE A 43 6.321 -9.272 3.658 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.457 -9.795 2.279 1.00 0.00 C ATOM 680 CE1 PHE A 43 7.122 -9.161 2.538 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.243 -9.687 1.158 1.00 0.00 C ATOM 682 CZ PHE A 43 6.581 -9.370 1.284 1.00 0.00 C ATOM 0 H PHE A 43 3.507 -12.321 4.616 1.00 0.00 H new ATOM 0 HA PHE A 43 5.574 -10.695 5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.075 -9.914 4.417 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.088 -8.775 5.282 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.746 -9.108 4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.412 -10.044 2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.168 -8.912 2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.815 -9.850 0.180 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.203 -9.286 0.405 1.00 0.00 H new ATOM 692 N GLU A 44 4.250 -10.170 8.033 1.00 0.00 N ATOM 693 CA GLU A 44 3.579 -10.049 9.323 1.00 0.00 C ATOM 694 C GLU A 44 2.992 -8.671 9.560 1.00 0.00 C ATOM 695 O GLU A 44 3.274 -7.723 8.832 1.00 0.00 O ATOM 696 CB GLU A 44 4.574 -10.319 10.433 1.00 0.00 C ATOM 697 CG GLU A 44 4.824 -11.779 10.688 1.00 0.00 C ATOM 698 CD GLU A 44 4.973 -12.603 9.421 1.00 0.00 C ATOM 699 OE1 GLU A 44 6.039 -12.514 8.779 1.00 0.00 O ATOM 700 OE2 GLU A 44 4.027 -13.339 9.076 1.00 0.00 O ATOM 0 H GLU A 44 5.181 -9.754 8.010 1.00 0.00 H new ATOM 0 HA GLU A 44 2.764 -10.773 9.318 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.520 -9.837 10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.212 -9.857 11.352 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.728 -11.884 11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.001 -12.182 11.278 1.00 0.00 H new ATOM 707 N ASN A 45 2.201 -8.573 10.628 1.00 0.00 N ATOM 708 CA ASN A 45 1.585 -7.316 11.032 1.00 0.00 C ATOM 709 C ASN A 45 0.815 -6.658 9.886 1.00 0.00 C ATOM 710 O ASN A 45 0.673 -5.433 9.848 1.00 0.00 O ATOM 711 CB ASN A 45 2.669 -6.365 11.519 1.00 0.00 C ATOM 712 CG ASN A 45 3.449 -6.898 12.706 1.00 0.00 C ATOM 713 OD1 ASN A 45 2.928 -6.999 13.815 1.00 0.00 O ATOM 714 ND2 ASN A 45 4.710 -7.242 12.471 1.00 0.00 N ATOM 0 H ASN A 45 1.972 -9.361 11.233 1.00 0.00 H new ATOM 0 HA ASN A 45 0.873 -7.533 11.828 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.360 -6.164 10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.212 -5.414 11.792 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.288 -7.607 13.228 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.100 -7.141 11.534 1.00 0.00 H new ATOM 721 N ILE A 46 0.340 -7.474 8.949 1.00 0.00 N ATOM 722 CA ILE A 46 -0.392 -6.995 7.794 1.00 0.00 C ATOM 723 C ILE A 46 -1.543 -6.076 8.178 1.00 0.00 C ATOM 724 O ILE A 46 -2.638 -6.526 8.523 1.00 0.00 O ATOM 725 CB ILE A 46 -0.938 -8.170 6.971 1.00 0.00 C ATOM 726 CG1 ILE A 46 0.212 -9.031 6.450 1.00 0.00 C ATOM 727 CG2 ILE A 46 -1.797 -7.663 5.824 1.00 0.00 C ATOM 728 CD1 ILE A 46 -0.202 -10.449 6.108 1.00 0.00 C ATOM 0 H ILE A 46 0.455 -8.487 8.975 1.00 0.00 H new ATOM 0 HA ILE A 46 0.315 -6.421 7.196 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.564 -8.787 7.616 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.635 -8.560 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.001 -9.062 7.201 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.176 -8.510 5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.635 -7.091 6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.197 -7.025 5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.663 -11.003 5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.598 -10.937 6.999 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.970 -10.427 5.335 1.00 0.00 H new ATOM 740 N ARG A 47 -1.280 -4.783 8.082 1.00 0.00 N ATOM 741 CA ARG A 47 -2.282 -3.767 8.379 1.00 0.00 C ATOM 742 C ARG A 47 -3.058 -3.418 7.123 1.00 0.00 C ATOM 743 O ARG A 47 -2.469 -3.148 6.077 1.00 0.00 O ATOM 744 CB ARG A 47 -1.647 -2.520 8.977 1.00 0.00 C ATOM 745 CG ARG A 47 -2.458 -1.957 10.126 1.00 0.00 C ATOM 746 CD ARG A 47 -2.776 -0.492 9.919 1.00 0.00 C ATOM 747 NE ARG A 47 -3.863 -0.044 10.788 1.00 0.00 N ATOM 748 CZ ARG A 47 -5.139 0.057 10.404 1.00 0.00 C ATOM 749 NH1 ARG A 47 -5.494 -0.217 9.153 1.00 0.00 N ATOM 750 NH2 ARG A 47 -6.065 0.436 11.277 1.00 0.00 N ATOM 0 H ARG A 47 -0.375 -4.408 7.799 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.970 -4.176 9.119 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.642 -2.758 9.327 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.543 -1.761 8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.386 -2.520 10.228 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.906 -2.082 11.057 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.885 0.104 10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.050 -0.323 8.878 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.633 0.208 11.749 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.790 -0.508 8.475 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.471 -0.137 8.871 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.802 0.650 12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.039 0.514 10.986 1.00 0.00 H new ATOM 764 N HIS A 48 -4.383 -3.445 7.227 1.00 0.00 N ATOM 765 CA HIS A 48 -5.234 -3.153 6.081 1.00 0.00 C ATOM 766 C HIS A 48 -5.716 -1.706 6.089 1.00 0.00 C ATOM 767 O HIS A 48 -6.538 -1.317 6.919 1.00 0.00 O ATOM 768 CB HIS A 48 -6.434 -4.116 6.038 1.00 0.00 C ATOM 769 CG HIS A 48 -6.081 -5.502 5.607 1.00 0.00 C ATOM 770 ND1 HIS A 48 -6.506 -6.048 4.417 1.00 0.00 N ATOM 771 CD2 HIS A 48 -5.351 -6.458 6.220 1.00 0.00 C ATOM 772 CE1 HIS A 48 -6.054 -7.283 4.315 1.00 0.00 C ATOM 773 NE2 HIS A 48 -5.347 -7.558 5.397 1.00 0.00 N ATOM 0 H HIS A 48 -4.887 -3.664 8.086 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.633 -3.297 5.183 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.889 -4.158 7.027 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.186 -3.715 5.358 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -7.081 -5.572 3.722 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.861 -6.374 7.179 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.231 -7.955 3.488 1.00 0.00 H new ATOM 782 N PHE A 49 -5.211 -0.924 5.134 1.00 0.00 N ATOM 783 CA PHE A 49 -5.588 0.474 4.992 1.00 0.00 C ATOM 784 C PHE A 49 -6.685 0.584 3.939 1.00 0.00 C ATOM 785 O PHE A 49 -6.451 0.447 2.732 1.00 0.00 O ATOM 786 CB PHE A 49 -4.359 1.336 4.660 1.00 0.00 C ATOM 787 CG PHE A 49 -3.216 1.117 5.615 1.00 0.00 C ATOM 788 CD1 PHE A 49 -3.165 1.813 6.810 1.00 0.00 C ATOM 789 CD2 PHE A 49 -2.202 0.213 5.328 1.00 0.00 C ATOM 790 CE1 PHE A 49 -2.130 1.618 7.699 1.00 0.00 C ATOM 791 CE2 PHE A 49 -1.164 0.015 6.218 1.00 0.00 C ATOM 792 CZ PHE A 49 -1.129 0.718 7.404 1.00 0.00 C ATOM 0 H PHE A 49 -4.533 -1.244 4.443 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.983 0.856 5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.027 1.112 3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.644 2.388 4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.947 2.519 7.049 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.225 -0.340 4.401 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.103 2.170 8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.380 -0.690 5.985 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.318 0.563 8.101 1.00 0.00 H new ATOM 802 N THR A 50 -7.895 0.751 4.454 1.00 0.00 N ATOM 803 CA THR A 50 -9.124 0.801 3.665 1.00 0.00 C ATOM 804 C THR A 50 -9.374 2.116 2.932 1.00 0.00 C ATOM 805 O THR A 50 -8.896 3.181 3.326 1.00 0.00 O ATOM 806 CB THR A 50 -10.296 0.481 4.590 1.00 0.00 C ATOM 807 OG1 THR A 50 -11.488 0.278 3.853 1.00 0.00 O ATOM 808 CG2 THR A 50 -10.563 1.559 5.622 1.00 0.00 C ATOM 0 H THR A 50 -8.056 0.858 5.455 1.00 0.00 H new ATOM 0 HA THR A 50 -9.016 0.063 2.870 1.00 0.00 H new ATOM 0 HB THR A 50 -10.003 -0.430 5.112 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.222 0.073 4.469 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.408 1.265 6.244 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.680 1.690 6.248 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.793 2.497 5.117 1.00 0.00 H new ATOM 816 N ASP A 51 -10.156 1.998 1.851 1.00 0.00 N ATOM 817 CA ASP A 51 -10.529 3.132 1.015 1.00 0.00 C ATOM 818 C ASP A 51 -12.017 3.427 1.142 1.00 0.00 C ATOM 819 O ASP A 51 -12.827 2.513 1.303 1.00 0.00 O ATOM 820 CB ASP A 51 -10.163 2.848 -0.453 1.00 0.00 C ATOM 821 CG ASP A 51 -11.302 3.109 -1.429 1.00 0.00 C ATOM 822 OD1 ASP A 51 -12.101 2.181 -1.671 1.00 0.00 O ATOM 823 OD2 ASP A 51 -11.393 4.240 -1.952 1.00 0.00 O ATOM 0 H ASP A 51 -10.545 1.109 1.536 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.977 4.009 1.353 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.309 3.466 -0.731 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.848 1.809 -0.545 1.00 0.00 H new ATOM 828 N ASP A 52 -12.374 4.704 1.053 1.00 0.00 N ATOM 829 CA ASP A 52 -13.768 5.105 1.148 1.00 0.00 C ATOM 830 C ASP A 52 -13.954 6.508 0.584 1.00 0.00 C ATOM 831 O ASP A 52 -13.515 7.491 1.185 1.00 0.00 O ATOM 832 CB ASP A 52 -14.242 5.037 2.602 1.00 0.00 C ATOM 833 CG ASP A 52 -15.671 5.512 2.774 1.00 0.00 C ATOM 834 OD1 ASP A 52 -16.593 4.686 2.624 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.867 6.710 3.061 1.00 0.00 O ATOM 0 H ASP A 52 -11.719 5.474 0.916 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.373 4.416 0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.159 4.011 2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.584 5.645 3.223 1.00 0.00 H new ATOM 840 N GLY A 53 -14.603 6.586 -0.577 1.00 0.00 N ATOM 841 CA GLY A 53 -14.843 7.866 -1.226 1.00 0.00 C ATOM 842 C GLY A 53 -13.593 8.728 -1.321 1.00 0.00 C ATOM 843 O GLY A 53 -13.531 9.800 -0.717 1.00 0.00 O ATOM 0 H GLY A 53 -14.969 5.779 -1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.234 7.691 -2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.611 8.409 -0.674 1.00 0.00 H new ATOM 847 N PHE A 54 -12.596 8.263 -2.080 1.00 0.00 N ATOM 848 CA PHE A 54 -11.349 9.006 -2.243 1.00 0.00 C ATOM 849 C PHE A 54 -11.416 9.927 -3.462 1.00 0.00 C ATOM 850 O PHE A 54 -11.673 9.475 -4.578 1.00 0.00 O ATOM 851 CB PHE A 54 -10.153 8.055 -2.390 1.00 0.00 C ATOM 852 CG PHE A 54 -9.754 7.371 -1.111 1.00 0.00 C ATOM 853 CD1 PHE A 54 -9.972 7.974 0.124 1.00 0.00 C ATOM 854 CD2 PHE A 54 -9.173 6.112 -1.140 1.00 0.00 C ATOM 855 CE1 PHE A 54 -9.625 7.332 1.290 1.00 0.00 C ATOM 856 CE2 PHE A 54 -8.830 5.473 0.032 1.00 0.00 C ATOM 857 CZ PHE A 54 -9.061 6.078 1.245 1.00 0.00 C ATOM 0 H PHE A 54 -12.630 7.379 -2.588 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.213 9.610 -1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.394 7.297 -3.135 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.300 8.617 -2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -10.418 8.956 0.167 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.988 5.629 -2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.796 7.813 2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.378 4.493 -0.002 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.800 5.569 2.161 1.00 0.00 H new ATOM 867 N SER A 55 -11.173 11.216 -3.238 1.00 0.00 N ATOM 868 CA SER A 55 -11.189 12.211 -4.314 1.00 0.00 C ATOM 869 C SER A 55 -9.927 12.106 -5.172 1.00 0.00 C ATOM 870 O SER A 55 -8.987 11.396 -4.816 1.00 0.00 O ATOM 871 CB SER A 55 -11.311 13.622 -3.735 1.00 0.00 C ATOM 872 OG SER A 55 -12.481 14.264 -4.206 1.00 0.00 O ATOM 0 H SER A 55 -10.961 11.600 -2.317 1.00 0.00 H new ATOM 0 HA SER A 55 -12.055 12.011 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.333 13.572 -2.646 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.434 14.209 -4.010 1.00 0.00 H new ATOM 0 HG SER A 55 -12.538 15.163 -3.821 1.00 0.00 H new ATOM 878 N GLY A 56 -9.912 12.808 -6.307 1.00 0.00 N ATOM 879 CA GLY A 56 -8.758 12.771 -7.199 1.00 0.00 C ATOM 880 C GLY A 56 -7.588 13.619 -6.714 1.00 0.00 C ATOM 881 O GLY A 56 -7.049 14.422 -7.475 1.00 0.00 O ATOM 0 H GLY A 56 -10.678 13.402 -6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.427 11.738 -7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.061 13.116 -8.187 1.00 0.00 H new ATOM 885 N VAL A 57 -7.194 13.438 -5.449 1.00 0.00 N ATOM 886 CA VAL A 57 -6.078 14.186 -4.864 1.00 0.00 C ATOM 887 C VAL A 57 -4.769 13.392 -4.859 1.00 0.00 C ATOM 888 O VAL A 57 -3.739 13.918 -4.434 1.00 0.00 O ATOM 889 CB VAL A 57 -6.365 14.676 -3.442 1.00 0.00 C ATOM 890 CG1 VAL A 57 -7.659 15.471 -3.398 1.00 0.00 C ATOM 891 CG2 VAL A 57 -6.396 13.513 -2.469 1.00 0.00 C ATOM 0 H VAL A 57 -7.634 12.777 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.963 15.053 -5.515 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.557 15.341 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.844 15.809 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.578 16.335 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.485 14.840 -3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.601 13.884 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.177 12.813 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.431 13.005 -2.478 1.00 0.00 H new ATOM 901 N ASN A 58 -4.812 12.127 -5.302 1.00 0.00 N ATOM 902 CA ASN A 58 -3.617 11.270 -5.350 1.00 0.00 C ATOM 903 C ASN A 58 -3.310 10.644 -3.990 1.00 0.00 C ATOM 904 O ASN A 58 -3.743 9.524 -3.719 1.00 0.00 O ATOM 905 CB ASN A 58 -2.412 12.055 -5.903 1.00 0.00 C ATOM 906 CG ASN A 58 -2.819 13.004 -7.021 1.00 0.00 C ATOM 907 OD1 ASN A 58 -3.045 12.584 -8.155 1.00 0.00 O ATOM 908 ND2 ASN A 58 -2.910 14.295 -6.701 1.00 0.00 N ATOM 0 H ASN A 58 -5.663 11.673 -5.633 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.823 10.445 -6.032 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.947 12.622 -5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.663 11.356 -6.275 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.176 14.979 -7.410 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.714 14.599 -5.747 1.00 0.00 H new ATOM 915 N PHE A 59 -2.578 11.356 -3.134 1.00 0.00 N ATOM 916 CA PHE A 59 -2.240 10.840 -1.809 1.00 0.00 C ATOM 917 C PHE A 59 -2.982 11.637 -0.732 1.00 0.00 C ATOM 918 O PHE A 59 -3.812 12.488 -1.051 1.00 0.00 O ATOM 919 CB PHE A 59 -0.718 10.875 -1.559 1.00 0.00 C ATOM 920 CG PHE A 59 0.144 10.520 -2.759 1.00 0.00 C ATOM 921 CD1 PHE A 59 0.093 11.271 -3.927 1.00 0.00 C ATOM 922 CD2 PHE A 59 1.019 9.439 -2.713 1.00 0.00 C ATOM 923 CE1 PHE A 59 0.886 10.954 -5.012 1.00 0.00 C ATOM 924 CE2 PHE A 59 1.814 9.123 -3.799 1.00 0.00 C ATOM 925 CZ PHE A 59 1.747 9.881 -4.947 1.00 0.00 C ATOM 0 H PHE A 59 -2.210 12.286 -3.333 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.555 9.798 -1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.445 11.874 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.484 10.186 -0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.577 12.116 -3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.078 8.839 -1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.831 11.548 -5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.488 8.281 -3.747 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.369 9.634 -5.795 1.00 0.00 H new ATOM 935 N ASN A 60 -2.690 11.351 0.540 1.00 0.00 N ATOM 936 CA ASN A 60 -3.340 12.037 1.662 1.00 0.00 C ATOM 937 C ASN A 60 -4.806 11.618 1.777 1.00 0.00 C ATOM 938 O ASN A 60 -5.709 12.275 1.255 1.00 0.00 O ATOM 939 CB ASN A 60 -3.218 13.561 1.523 1.00 0.00 C ATOM 940 CG ASN A 60 -1.778 14.019 1.361 1.00 0.00 C ATOM 941 OD1 ASN A 60 -1.480 14.874 0.528 1.00 0.00 O ATOM 942 ND2 ASN A 60 -0.876 13.456 2.162 1.00 0.00 N ATOM 0 H ASN A 60 -2.006 10.648 0.820 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.828 11.742 2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.800 13.891 0.662 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.651 14.038 2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.104 13.730 2.098 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.165 12.750 2.839 1.00 0.00 H new ATOM 949 N ARG A 61 -5.012 10.505 2.473 1.00 0.00 N ATOM 950 CA ARG A 61 -6.338 9.929 2.702 1.00 0.00 C ATOM 951 C ARG A 61 -6.426 9.436 4.146 1.00 0.00 C ATOM 952 O ARG A 61 -5.407 9.270 4.802 1.00 0.00 O ATOM 953 CB ARG A 61 -6.596 8.751 1.749 1.00 0.00 C ATOM 954 CG ARG A 61 -5.606 8.619 0.591 1.00 0.00 C ATOM 955 CD ARG A 61 -6.225 9.001 -0.746 1.00 0.00 C ATOM 956 NE ARG A 61 -7.080 10.185 -0.665 1.00 0.00 N ATOM 957 CZ ARG A 61 -7.722 10.701 -1.712 1.00 0.00 C ATOM 958 NH1 ARG A 61 -7.582 10.161 -2.919 1.00 0.00 N ATOM 959 NH2 ARG A 61 -8.499 11.765 -1.555 1.00 0.00 N ATOM 0 H ARG A 61 -4.256 9.969 2.900 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.089 10.697 2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.579 7.827 2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.600 8.851 1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.740 9.253 0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.244 7.592 0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.430 9.183 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.811 8.162 -1.121 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.191 10.640 0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.980 9.347 -3.047 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.076 10.561 -3.717 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.605 12.188 -0.633 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.991 12.160 -2.357 1.00 0.00 H new ATOM 973 N PRO A 62 -7.635 9.180 4.659 1.00 0.00 N ATOM 974 CA PRO A 62 -7.824 8.681 6.030 1.00 0.00 C ATOM 975 C PRO A 62 -6.995 7.412 6.280 1.00 0.00 C ATOM 976 O PRO A 62 -5.989 7.441 7.004 1.00 0.00 O ATOM 977 CB PRO A 62 -9.331 8.385 6.103 1.00 0.00 C ATOM 978 CG PRO A 62 -9.808 8.397 4.686 1.00 0.00 C ATOM 979 CD PRO A 62 -8.902 9.336 3.950 1.00 0.00 C ATOM 0 HA PRO A 62 -7.497 9.394 6.787 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.519 7.420 6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.850 9.136 6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.768 7.397 4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.845 8.729 4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.812 9.070 2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.265 10.363 3.990 1.00 0.00 H new ATOM 987 N GLY A 63 -7.399 6.307 5.645 1.00 0.00 N ATOM 988 CA GLY A 63 -6.668 5.058 5.780 1.00 0.00 C ATOM 989 C GLY A 63 -5.238 5.184 5.272 1.00 0.00 C ATOM 990 O GLY A 63 -4.338 4.494 5.749 1.00 0.00 O ATOM 0 H GLY A 63 -8.219 6.258 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.657 4.754 6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.183 4.273 5.226 1.00 0.00 H new ATOM 994 N PHE A 64 -5.040 6.090 4.309 1.00 0.00 N ATOM 995 CA PHE A 64 -3.730 6.351 3.725 1.00 0.00 C ATOM 996 C PHE A 64 -2.831 7.021 4.753 1.00 0.00 C ATOM 997 O PHE A 64 -1.659 6.674 4.885 1.00 0.00 O ATOM 998 CB PHE A 64 -3.903 7.244 2.499 1.00 0.00 C ATOM 999 CG PHE A 64 -2.645 7.523 1.737 1.00 0.00 C ATOM 1000 CD1 PHE A 64 -1.622 8.252 2.307 1.00 0.00 C ATOM 1001 CD2 PHE A 64 -2.494 7.065 0.443 1.00 0.00 C ATOM 1002 CE1 PHE A 64 -0.471 8.516 1.605 1.00 0.00 C ATOM 1003 CE2 PHE A 64 -1.347 7.326 -0.265 1.00 0.00 C ATOM 1004 CZ PHE A 64 -0.332 8.052 0.315 1.00 0.00 C ATOM 0 H PHE A 64 -5.788 6.661 3.915 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.264 5.413 3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.621 6.776 1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.335 8.193 2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.727 8.620 3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.287 6.495 -0.017 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.323 9.086 2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.241 6.962 -1.276 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.572 8.258 -0.240 1.00 0.00 H new ATOM 1014 N GLN A 65 -3.406 7.965 5.499 1.00 0.00 N ATOM 1015 CA GLN A 65 -2.677 8.662 6.544 1.00 0.00 C ATOM 1016 C GLN A 65 -2.249 7.660 7.608 1.00 0.00 C ATOM 1017 O GLN A 65 -1.221 7.839 8.257 1.00 0.00 O ATOM 1018 CB GLN A 65 -3.526 9.783 7.144 1.00 0.00 C ATOM 1019 CG GLN A 65 -3.549 11.043 6.287 1.00 0.00 C ATOM 1020 CD GLN A 65 -4.277 12.191 6.957 1.00 0.00 C ATOM 1021 OE1 GLN A 65 -5.345 12.606 6.511 1.00 0.00 O ATOM 1022 NE2 GLN A 65 -3.699 12.714 8.033 1.00 0.00 N ATOM 0 H GLN A 65 -4.377 8.261 5.394 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.787 9.126 6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.546 9.425 7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.142 10.031 8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.526 11.346 6.066 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.028 10.821 5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.812 12.338 8.369 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.142 13.491 8.523 1.00 0.00 H new ATOM 1031 N SER A 66 -3.018 6.568 7.733 1.00 0.00 N ATOM 1032 CA SER A 66 -2.680 5.497 8.661 1.00 0.00 C ATOM 1033 C SER A 66 -1.505 4.720 8.067 1.00 0.00 C ATOM 1034 O SER A 66 -0.545 4.390 8.764 1.00 0.00 O ATOM 1035 CB SER A 66 -3.880 4.573 8.888 1.00 0.00 C ATOM 1036 OG SER A 66 -4.179 4.453 10.268 1.00 0.00 O ATOM 0 H SER A 66 -3.874 6.410 7.201 1.00 0.00 H new ATOM 0 HA SER A 66 -2.407 5.913 9.631 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.749 4.963 8.357 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.668 3.588 8.472 1.00 0.00 H new ATOM 0 HG SER A 66 -4.950 3.859 10.385 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.576 4.480 6.748 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.511 3.808 6.020 1.00 0.00 C ATOM 1044 C LEU A 67 0.791 4.603 6.220 1.00 0.00 C ATOM 1045 O LEU A 67 1.821 4.056 6.638 1.00 0.00 O ATOM 1046 CB LEU A 67 -0.911 3.704 4.531 1.00 0.00 C ATOM 1047 CG LEU A 67 0.131 4.153 3.515 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.291 3.179 3.517 1.00 0.00 C ATOM 1049 CD2 LEU A 67 -0.494 4.233 2.137 1.00 0.00 C ATOM 0 H LEU A 67 -2.371 4.748 6.168 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.350 2.795 6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.170 2.667 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.814 4.295 4.378 1.00 0.00 H new ATOM 0 HG LEU A 67 0.501 5.142 3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.037 3.500 2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.740 3.151 4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.931 2.184 3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.257 4.555 1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.874 3.252 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.315 4.950 2.151 1.00 0.00 H new ATOM 1061 N ILE A 68 0.712 5.916 5.973 1.00 0.00 N ATOM 1062 CA ILE A 68 1.846 6.811 6.168 1.00 0.00 C ATOM 1063 C ILE A 68 2.217 6.862 7.652 1.00 0.00 C ATOM 1064 O ILE A 68 3.391 6.940 8.000 1.00 0.00 O ATOM 1065 CB ILE A 68 1.530 8.241 5.666 1.00 0.00 C ATOM 1066 CG1 ILE A 68 1.498 8.285 4.131 1.00 0.00 C ATOM 1067 CG2 ILE A 68 2.534 9.246 6.214 1.00 0.00 C ATOM 1068 CD1 ILE A 68 2.853 8.105 3.470 1.00 0.00 C ATOM 0 H ILE A 68 -0.132 6.379 5.636 1.00 0.00 H new ATOM 0 HA ILE A 68 2.684 6.423 5.589 1.00 0.00 H new ATOM 0 HB ILE A 68 0.542 8.516 6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.826 7.506 3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.077 9.240 3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.289 10.242 5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.495 9.242 7.303 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.537 8.974 5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.738 8.149 2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.525 8.898 3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.269 7.138 3.751 1.00 0.00 H new ATOM 1080 N LYS A 69 1.195 6.808 8.516 1.00 0.00 N ATOM 1081 CA LYS A 69 1.385 6.837 9.969 1.00 0.00 C ATOM 1082 C LYS A 69 2.386 5.767 10.404 1.00 0.00 C ATOM 1083 O LYS A 69 3.259 6.015 11.238 1.00 0.00 O ATOM 1084 CB LYS A 69 0.036 6.638 10.677 1.00 0.00 C ATOM 1085 CG LYS A 69 0.115 5.864 11.984 1.00 0.00 C ATOM 1086 CD LYS A 69 0.739 6.705 13.080 1.00 0.00 C ATOM 1087 CE LYS A 69 1.727 5.904 13.911 1.00 0.00 C ATOM 1088 NZ LYS A 69 2.742 6.775 14.567 1.00 0.00 N ATOM 0 H LYS A 69 0.219 6.743 8.228 1.00 0.00 H new ATOM 0 HA LYS A 69 1.789 7.809 10.251 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.403 7.616 10.875 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.641 6.116 10.001 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.885 5.551 12.286 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.702 4.957 11.838 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.247 7.561 12.637 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.045 7.099 13.727 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.187 5.341 14.672 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.231 5.177 13.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.354 6.196 15.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.320 7.242 13.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.261 7.495 15.143 1.00 0.00 H new ATOM 1102 N GLU A 70 2.273 4.584 9.816 1.00 0.00 N ATOM 1103 CA GLU A 70 3.192 3.503 10.128 1.00 0.00 C ATOM 1104 C GLU A 70 4.545 3.801 9.494 1.00 0.00 C ATOM 1105 O GLU A 70 5.588 3.493 10.068 1.00 0.00 O ATOM 1106 CB GLU A 70 2.647 2.161 9.633 1.00 0.00 C ATOM 1107 CG GLU A 70 1.290 1.800 10.224 1.00 0.00 C ATOM 1108 CD GLU A 70 1.389 0.888 11.436 1.00 0.00 C ATOM 1109 OE1 GLU A 70 2.347 1.040 12.225 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.504 0.022 11.597 1.00 0.00 O ATOM 0 H GLU A 70 1.559 4.351 9.126 1.00 0.00 H new ATOM 0 HA GLU A 70 3.306 3.432 11.210 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.565 2.190 8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.362 1.375 9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.769 2.715 10.507 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.686 1.313 9.459 1.00 0.00 H new ATOM 1117 N VAL A 71 4.516 4.428 8.311 1.00 0.00 N ATOM 1118 CA VAL A 71 5.744 4.793 7.611 1.00 0.00 C ATOM 1119 C VAL A 71 6.551 5.832 8.400 1.00 0.00 C ATOM 1120 O VAL A 71 7.769 5.704 8.532 1.00 0.00 O ATOM 1121 CB VAL A 71 5.467 5.361 6.200 1.00 0.00 C ATOM 1122 CG1 VAL A 71 6.763 5.495 5.428 1.00 0.00 C ATOM 1123 CG2 VAL A 71 4.493 4.491 5.426 1.00 0.00 C ATOM 0 H VAL A 71 3.658 4.690 7.825 1.00 0.00 H new ATOM 0 HA VAL A 71 6.318 3.871 7.517 1.00 0.00 H new ATOM 0 HB VAL A 71 5.013 6.344 6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.556 5.896 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.435 6.170 5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.233 4.516 5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.324 4.923 4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.908 3.489 5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.547 4.435 5.965 1.00 0.00 H new ATOM 1133 N GLU A 72 5.867 6.859 8.920 1.00 0.00 N ATOM 1134 CA GLU A 72 6.529 7.918 9.690 1.00 0.00 C ATOM 1135 C GLU A 72 7.141 7.356 10.966 1.00 0.00 C ATOM 1136 O GLU A 72 8.257 7.717 11.338 1.00 0.00 O ATOM 1137 CB GLU A 72 5.560 9.058 10.025 1.00 0.00 C ATOM 1138 CG GLU A 72 4.164 8.596 10.392 1.00 0.00 C ATOM 1139 CD GLU A 72 3.438 9.567 11.305 1.00 0.00 C ATOM 1140 OE1 GLU A 72 3.207 10.721 10.885 1.00 0.00 O ATOM 1141 OE2 GLU A 72 3.094 9.171 12.439 1.00 0.00 O ATOM 0 H GLU A 72 4.859 6.978 8.822 1.00 0.00 H new ATOM 0 HA GLU A 72 7.326 8.325 9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.969 9.637 10.853 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.496 9.729 9.169 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.582 8.458 9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.226 7.624 10.881 1.00 0.00 H new ATOM 1148 N ALA A 73 6.415 6.451 11.621 1.00 0.00 N ATOM 1149 CA ALA A 73 6.901 5.819 12.843 1.00 0.00 C ATOM 1150 C ALA A 73 7.925 4.715 12.538 1.00 0.00 C ATOM 1151 O ALA A 73 8.361 4.000 13.441 1.00 0.00 O ATOM 1152 CB ALA A 73 5.727 5.255 13.626 1.00 0.00 C ATOM 0 H ALA A 73 5.490 6.140 11.325 1.00 0.00 H new ATOM 0 HA ALA A 73 7.407 6.575 13.443 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.091 4.783 14.539 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.040 6.061 13.884 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.206 4.515 13.018 1.00 0.00 H new ATOM 1158 N GLY A 74 8.298 4.578 11.258 1.00 0.00 N ATOM 1159 CA GLY A 74 9.251 3.564 10.846 1.00 0.00 C ATOM 1160 C GLY A 74 8.823 2.164 11.254 1.00 0.00 C ATOM 1161 O GLY A 74 9.613 1.399 11.806 1.00 0.00 O ATOM 0 H GLY A 74 7.949 5.161 10.498 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.372 3.602 9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.224 3.785 11.284 1.00 0.00 H new ATOM 1165 N ASN A 75 7.561 1.840 10.971 1.00 0.00 N ATOM 1166 CA ASN A 75 6.989 0.538 11.286 1.00 0.00 C ATOM 1167 C ASN A 75 6.762 -0.255 10.004 1.00 0.00 C ATOM 1168 O ASN A 75 7.125 -1.424 9.910 1.00 0.00 O ATOM 1169 CB ASN A 75 5.657 0.724 12.019 1.00 0.00 C ATOM 1170 CG ASN A 75 5.828 0.972 13.504 1.00 0.00 C ATOM 1171 OD1 ASN A 75 6.945 1.022 14.017 1.00 0.00 O ATOM 1172 ND2 ASN A 75 4.712 1.133 14.205 1.00 0.00 N ATOM 0 H ASN A 75 6.908 2.477 10.516 1.00 0.00 H new ATOM 0 HA ASN A 75 7.681 -0.009 11.926 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.119 1.562 11.576 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.041 -0.163 11.873 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.761 1.306 15.209 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.806 1.084 13.739 1.00 0.00 H new ATOM 1179 N VAL A 76 6.156 0.388 9.013 1.00 0.00 N ATOM 1180 CA VAL A 76 5.886 -0.270 7.747 1.00 0.00 C ATOM 1181 C VAL A 76 7.178 -0.753 7.080 1.00 0.00 C ATOM 1182 O VAL A 76 7.940 0.035 6.516 1.00 0.00 O ATOM 1183 CB VAL A 76 5.123 0.652 6.775 1.00 0.00 C ATOM 1184 CG1 VAL A 76 5.978 1.832 6.350 1.00 0.00 C ATOM 1185 CG2 VAL A 76 4.661 -0.137 5.567 1.00 0.00 C ATOM 0 H VAL A 76 5.845 1.358 9.064 1.00 0.00 H new ATOM 0 HA VAL A 76 5.260 -1.133 7.974 1.00 0.00 H new ATOM 0 HB VAL A 76 4.250 1.048 7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.412 2.463 5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.260 2.412 7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.876 1.469 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.123 0.522 4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.526 -0.559 5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.001 -0.942 5.889 1.00 0.00 H new ATOM 1195 N GLU A 77 7.409 -2.056 7.145 1.00 0.00 N ATOM 1196 CA GLU A 77 8.592 -2.663 6.542 1.00 0.00 C ATOM 1197 C GLU A 77 8.274 -3.220 5.150 1.00 0.00 C ATOM 1198 O GLU A 77 9.150 -3.768 4.480 1.00 0.00 O ATOM 1199 CB GLU A 77 9.121 -3.778 7.444 1.00 0.00 C ATOM 1200 CG GLU A 77 8.190 -4.975 7.536 1.00 0.00 C ATOM 1201 CD GLU A 77 8.925 -6.299 7.468 1.00 0.00 C ATOM 1202 OE1 GLU A 77 9.458 -6.629 6.387 1.00 0.00 O ATOM 1203 OE2 GLU A 77 8.964 -7.009 8.494 1.00 0.00 O ATOM 0 H GLU A 77 6.790 -2.719 7.612 1.00 0.00 H new ATOM 0 HA GLU A 77 9.356 -1.893 6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.090 -4.109 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.286 -3.378 8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.631 -4.923 8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.463 -4.927 6.726 1.00 0.00 H new ATOM 1210 N THR A 78 7.011 -3.090 4.729 1.00 0.00 N ATOM 1211 CA THR A 78 6.569 -3.593 3.431 1.00 0.00 C ATOM 1212 C THR A 78 5.298 -2.898 2.969 1.00 0.00 C ATOM 1213 O THR A 78 4.502 -2.442 3.785 1.00 0.00 O ATOM 1214 CB THR A 78 6.304 -5.100 3.493 1.00 0.00 C ATOM 1215 OG1 THR A 78 6.942 -5.699 4.608 1.00 0.00 O ATOM 1216 CG2 THR A 78 6.770 -5.817 2.257 1.00 0.00 C ATOM 0 H THR A 78 6.277 -2.638 5.274 1.00 0.00 H new ATOM 0 HA THR A 78 7.370 -3.386 2.722 1.00 0.00 H new ATOM 0 HB THR A 78 5.222 -5.198 3.581 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.625 -6.621 4.710 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.559 -6.882 2.353 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.247 -5.420 1.387 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.843 -5.670 2.134 1.00 0.00 H new ATOM 1224 N LEU A 79 5.099 -2.850 1.654 1.00 0.00 N ATOM 1225 CA LEU A 79 3.900 -2.247 1.092 1.00 0.00 C ATOM 1226 C LEU A 79 3.310 -3.134 0.009 1.00 0.00 C ATOM 1227 O LEU A 79 3.967 -3.450 -0.982 1.00 0.00 O ATOM 1228 CB LEU A 79 4.175 -0.872 0.495 1.00 0.00 C ATOM 1229 CG LEU A 79 2.961 0.075 0.378 1.00 0.00 C ATOM 1230 CD1 LEU A 79 1.667 -0.697 0.203 1.00 0.00 C ATOM 1231 CD2 LEU A 79 2.848 0.982 1.587 1.00 0.00 C ATOM 0 H LEU A 79 5.751 -3.221 0.963 1.00 0.00 H new ATOM 0 HA LEU A 79 3.194 -2.137 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.936 -0.381 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.600 -1.009 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 79 3.126 0.687 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.834 0.002 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.722 -1.299 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.513 -1.349 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.983 1.635 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.729 0.377 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.751 1.587 1.674 1.00 0.00 H new ATOM 1243 N ILE A 80 2.061 -3.510 0.202 1.00 0.00 N ATOM 1244 CA ILE A 80 1.345 -4.336 -0.749 1.00 0.00 C ATOM 1245 C ILE A 80 0.136 -3.575 -1.295 1.00 0.00 C ATOM 1246 O ILE A 80 -0.777 -3.206 -0.547 1.00 0.00 O ATOM 1247 CB ILE A 80 0.912 -5.665 -0.103 1.00 0.00 C ATOM 1248 CG1 ILE A 80 2.027 -6.697 -0.239 1.00 0.00 C ATOM 1249 CG2 ILE A 80 -0.369 -6.195 -0.719 1.00 0.00 C ATOM 1250 CD1 ILE A 80 3.182 -6.485 0.710 1.00 0.00 C ATOM 0 H ILE A 80 1.514 -3.251 1.023 1.00 0.00 H new ATOM 0 HA ILE A 80 2.011 -4.572 -1.579 1.00 0.00 H new ATOM 0 HB ILE A 80 0.718 -5.477 0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.611 -7.690 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.403 -6.677 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.643 -7.134 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.169 -5.468 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.217 -6.365 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.932 -7.260 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.627 -5.507 0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.822 -6.535 1.738 1.00 0.00 H new ATOM 1262 N VAL A 81 0.160 -3.328 -2.601 1.00 0.00 N ATOM 1263 CA VAL A 81 -0.905 -2.595 -3.279 1.00 0.00 C ATOM 1264 C VAL A 81 -1.345 -3.318 -4.550 1.00 0.00 C ATOM 1265 O VAL A 81 -0.535 -3.974 -5.212 1.00 0.00 O ATOM 1266 CB VAL A 81 -0.434 -1.179 -3.682 1.00 0.00 C ATOM 1267 CG1 VAL A 81 -1.590 -0.359 -4.231 1.00 0.00 C ATOM 1268 CG2 VAL A 81 0.223 -0.442 -2.512 1.00 0.00 C ATOM 0 H VAL A 81 0.915 -3.629 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.737 -2.529 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 81 0.315 -1.303 -4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.233 0.633 -4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.002 -0.854 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.365 -0.267 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.540 0.549 -2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.493 -0.344 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.091 -1.005 -2.168 1.00 0.00 H new ATOM 1278 N LYS A 82 -2.622 -3.161 -4.910 1.00 0.00 N ATOM 1279 CA LYS A 82 -3.154 -3.761 -6.124 1.00 0.00 C ATOM 1280 C LYS A 82 -2.280 -3.362 -7.312 1.00 0.00 C ATOM 1281 O LYS A 82 -1.958 -4.189 -8.159 1.00 0.00 O ATOM 1282 CB LYS A 82 -4.589 -3.294 -6.367 1.00 0.00 C ATOM 1283 CG LYS A 82 -5.515 -4.409 -6.803 1.00 0.00 C ATOM 1284 CD LYS A 82 -5.287 -4.767 -8.256 1.00 0.00 C ATOM 1285 CE LYS A 82 -5.124 -6.266 -8.446 1.00 0.00 C ATOM 1286 NZ LYS A 82 -4.580 -6.599 -9.791 1.00 0.00 N ATOM 0 H LYS A 82 -3.302 -2.622 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.153 -4.845 -6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.977 -2.845 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.586 -2.514 -7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.352 -5.287 -6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.551 -4.103 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.127 -4.413 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.397 -4.255 -8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.458 -6.659 -7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.089 -6.756 -8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.579 -7.631 -9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.173 -6.160 -10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.607 -6.239 -9.871 1.00 0.00 H new ATOM 1300 N ASP A 83 -1.894 -2.078 -7.356 1.00 0.00 N ATOM 1301 CA ASP A 83 -1.044 -1.560 -8.430 1.00 0.00 C ATOM 1302 C ASP A 83 -0.604 -0.122 -8.152 1.00 0.00 C ATOM 1303 O ASP A 83 -1.142 0.542 -7.265 1.00 0.00 O ATOM 1304 CB ASP A 83 -1.768 -1.634 -9.778 1.00 0.00 C ATOM 1305 CG ASP A 83 -3.234 -1.271 -9.677 1.00 0.00 C ATOM 1306 OD1 ASP A 83 -3.534 -0.091 -9.406 1.00 0.00 O ATOM 1307 OD2 ASP A 83 -4.081 -2.168 -9.865 1.00 0.00 O ATOM 0 H ASP A 83 -2.159 -1.382 -6.659 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.153 -2.187 -8.471 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.280 -0.963 -10.485 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.675 -2.643 -10.180 1.00 0.00 H new ATOM 1312 N MET A 84 0.382 0.350 -8.922 1.00 0.00 N ATOM 1313 CA MET A 84 0.910 1.708 -8.771 1.00 0.00 C ATOM 1314 C MET A 84 -0.127 2.779 -9.136 1.00 0.00 C ATOM 1315 O MET A 84 0.098 3.967 -8.894 1.00 0.00 O ATOM 1316 CB MET A 84 2.164 1.886 -9.631 1.00 0.00 C ATOM 1317 CG MET A 84 3.432 1.367 -8.974 1.00 0.00 C ATOM 1318 SD MET A 84 4.217 2.597 -7.915 1.00 0.00 S ATOM 1319 CE MET A 84 4.034 1.828 -6.310 1.00 0.00 C ATOM 0 H MET A 84 0.832 -0.192 -9.659 1.00 0.00 H new ATOM 0 HA MET A 84 1.163 1.840 -7.719 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.019 1.370 -10.580 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.290 2.944 -9.859 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.195 0.482 -8.383 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.136 1.055 -9.746 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.929 2.011 -5.715 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.167 2.250 -5.801 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.895 0.754 -6.435 1.00 0.00 H new ATOM 1329 N SER A 85 -1.272 2.366 -9.693 1.00 0.00 N ATOM 1330 CA SER A 85 -2.325 3.310 -10.050 1.00 0.00 C ATOM 1331 C SER A 85 -3.002 3.838 -8.787 1.00 0.00 C ATOM 1332 O SER A 85 -3.632 4.895 -8.801 1.00 0.00 O ATOM 1333 CB SER A 85 -3.354 2.644 -10.967 1.00 0.00 C ATOM 1334 OG SER A 85 -2.728 2.046 -12.090 1.00 0.00 O ATOM 0 H SER A 85 -1.487 1.391 -9.903 1.00 0.00 H new ATOM 0 HA SER A 85 -1.878 4.147 -10.587 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.906 1.888 -10.409 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.079 3.385 -11.303 1.00 0.00 H new ATOM 0 HG SER A 85 -3.407 1.626 -12.658 1.00 0.00 H new ATOM 1340 N ARG A 86 -2.856 3.086 -7.694 1.00 0.00 N ATOM 1341 CA ARG A 86 -3.432 3.453 -6.410 1.00 0.00 C ATOM 1342 C ARG A 86 -2.890 4.796 -5.918 1.00 0.00 C ATOM 1343 O ARG A 86 -3.643 5.760 -5.780 1.00 0.00 O ATOM 1344 CB ARG A 86 -3.124 2.360 -5.384 1.00 0.00 C ATOM 1345 CG ARG A 86 -4.273 1.400 -5.131 1.00 0.00 C ATOM 1346 CD ARG A 86 -4.706 0.653 -6.383 1.00 0.00 C ATOM 1347 NE ARG A 86 -6.051 0.090 -6.232 1.00 0.00 N ATOM 1348 CZ ARG A 86 -6.689 -0.602 -7.179 1.00 0.00 C ATOM 1349 NH1 ARG A 86 -6.136 -0.782 -8.370 1.00 0.00 N ATOM 1350 NH2 ARG A 86 -7.893 -1.103 -6.933 1.00 0.00 N ATOM 0 H ARG A 86 -2.336 2.209 -7.680 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.510 3.553 -6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.259 1.791 -5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.845 2.831 -4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.977 0.680 -4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.123 1.955 -4.733 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.687 1.330 -7.237 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.997 -0.147 -6.595 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.532 0.237 -5.344 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.215 -0.390 -8.569 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.631 -1.312 -9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.329 -0.959 -6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.382 -1.632 -7.655 1.00 0.00 H new ATOM 1364 N LEU A 87 -1.583 4.853 -5.648 1.00 0.00 N ATOM 1365 CA LEU A 87 -0.955 6.082 -5.161 1.00 0.00 C ATOM 1366 C LEU A 87 -0.809 7.127 -6.267 1.00 0.00 C ATOM 1367 O LEU A 87 -0.856 8.327 -5.988 1.00 0.00 O ATOM 1368 CB LEU A 87 0.402 5.780 -4.520 1.00 0.00 C ATOM 1369 CG LEU A 87 0.335 5.336 -3.052 1.00 0.00 C ATOM 1370 CD1 LEU A 87 0.587 3.847 -2.932 1.00 0.00 C ATOM 1371 CD2 LEU A 87 1.331 6.114 -2.206 1.00 0.00 C ATOM 0 H LEU A 87 -0.943 4.066 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.614 6.503 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.896 5.000 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.026 6.671 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.668 5.547 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.535 3.553 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.168 3.303 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.576 3.612 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.265 5.782 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.340 5.940 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.102 7.178 -2.261 1.00 0.00 H new ATOM 1383 N GLY A 88 -0.652 6.685 -7.519 1.00 0.00 N ATOM 1384 CA GLY A 88 -0.533 7.637 -8.610 1.00 0.00 C ATOM 1385 C GLY A 88 0.475 7.252 -9.673 1.00 0.00 C ATOM 1386 O GLY A 88 1.394 6.471 -9.425 1.00 0.00 O ATOM 0 H GLY A 88 -0.606 5.703 -7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.509 7.756 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.256 8.608 -8.199 1.00 0.00 H new ATOM 1390 N ARG A 89 0.306 7.837 -10.861 1.00 0.00 N ATOM 1391 CA ARG A 89 1.210 7.597 -11.982 1.00 0.00 C ATOM 1392 C ARG A 89 2.511 8.364 -11.771 1.00 0.00 C ATOM 1393 O ARG A 89 3.579 7.915 -12.186 1.00 0.00 O ATOM 1394 CB ARG A 89 0.567 8.035 -13.303 1.00 0.00 C ATOM 1395 CG ARG A 89 -0.254 6.951 -13.986 1.00 0.00 C ATOM 1396 CD ARG A 89 -1.406 6.480 -13.113 1.00 0.00 C ATOM 1397 NE ARG A 89 -2.710 6.810 -13.692 1.00 0.00 N ATOM 1398 CZ ARG A 89 -3.752 5.973 -13.731 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -3.664 4.752 -13.213 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -4.891 6.364 -14.288 1.00 0.00 N ATOM 0 H ARG A 89 -0.455 8.484 -11.069 1.00 0.00 H new ATOM 0 HA ARG A 89 1.418 6.528 -12.032 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.074 8.896 -13.114 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.351 8.365 -13.984 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.645 7.332 -14.929 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.390 6.105 -14.226 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.335 5.401 -12.972 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.322 6.936 -12.127 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.831 7.740 -14.092 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.794 4.444 -12.779 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.467 4.123 -13.249 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.970 7.300 -14.685 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.688 5.728 -14.320 1.00 0.00 H new ATOM 1414 N ASN A 90 2.401 9.529 -11.118 1.00 0.00 N ATOM 1415 CA ASN A 90 3.558 10.379 -10.836 1.00 0.00 C ATOM 1416 C ASN A 90 4.628 9.596 -10.078 1.00 0.00 C ATOM 1417 O ASN A 90 4.571 9.458 -8.856 1.00 0.00 O ATOM 1418 CB ASN A 90 3.155 11.627 -10.034 1.00 0.00 C ATOM 1419 CG ASN A 90 1.920 11.412 -9.177 1.00 0.00 C ATOM 1420 OD1 ASN A 90 0.863 11.978 -9.446 1.00 0.00 O ATOM 1421 ND2 ASN A 90 2.049 10.588 -8.142 1.00 0.00 N ATOM 0 H ASN A 90 1.516 9.903 -10.775 1.00 0.00 H new ATOM 0 HA ASN A 90 3.966 10.706 -11.792 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.986 11.925 -9.395 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.972 12.451 -10.724 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.251 10.404 -7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.946 10.139 -7.956 1.00 0.00 H new ATOM 1428 N TYR A 91 5.592 9.079 -10.826 1.00 0.00 N ATOM 1429 CA TYR A 91 6.685 8.291 -10.266 1.00 0.00 C ATOM 1430 C TYR A 91 7.654 9.152 -9.444 1.00 0.00 C ATOM 1431 O TYR A 91 8.457 8.621 -8.677 1.00 0.00 O ATOM 1432 CB TYR A 91 7.382 7.548 -11.406 1.00 0.00 C ATOM 1433 CG TYR A 91 8.610 6.752 -11.027 1.00 0.00 C ATOM 1434 CD1 TYR A 91 9.860 7.349 -10.974 1.00 0.00 C ATOM 1435 CD2 TYR A 91 8.519 5.393 -10.765 1.00 0.00 C ATOM 1436 CE1 TYR A 91 10.987 6.615 -10.671 1.00 0.00 C ATOM 1437 CE2 TYR A 91 9.642 4.647 -10.454 1.00 0.00 C ATOM 1438 CZ TYR A 91 10.877 5.267 -10.413 1.00 0.00 C ATOM 1439 OH TYR A 91 12.005 4.539 -10.114 1.00 0.00 O ATOM 0 H TYR A 91 5.640 9.193 -11.838 1.00 0.00 H new ATOM 0 HA TYR A 91 6.284 7.562 -9.562 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.662 6.871 -11.865 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.666 8.275 -12.167 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.952 8.406 -11.173 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.555 4.909 -10.804 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.953 7.096 -10.636 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.555 3.591 -10.245 1.00 0.00 H new ATOM 0 HH TYR A 91 11.770 3.806 -9.507 1.00 0.00 H new ATOM 1449 N LEU A 92 7.560 10.481 -9.580 1.00 0.00 N ATOM 1450 CA LEU A 92 8.415 11.389 -8.813 1.00 0.00 C ATOM 1451 C LEU A 92 8.039 11.306 -7.334 1.00 0.00 C ATOM 1452 O LEU A 92 8.858 10.934 -6.493 1.00 0.00 O ATOM 1453 CB LEU A 92 8.273 12.831 -9.303 1.00 0.00 C ATOM 1454 CG LEU A 92 8.701 13.071 -10.748 1.00 0.00 C ATOM 1455 CD1 LEU A 92 7.619 12.593 -11.694 1.00 0.00 C ATOM 1456 CD2 LEU A 92 9.009 14.542 -10.977 1.00 0.00 C ATOM 0 H LEU A 92 6.906 10.946 -10.209 1.00 0.00 H new ATOM 0 HA LEU A 92 9.453 11.087 -8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.232 13.134 -9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.863 13.478 -8.654 1.00 0.00 H new ATOM 0 HG LEU A 92 9.610 12.503 -10.945 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.932 12.768 -12.723 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.448 11.527 -11.543 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.697 13.140 -11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.312 14.693 -12.013 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.120 15.137 -10.769 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.816 14.852 -10.314 1.00 0.00 H new ATOM 1468 N GLN A 93 6.775 11.627 -7.038 1.00 0.00 N ATOM 1469 CA GLN A 93 6.251 11.563 -5.673 1.00 0.00 C ATOM 1470 C GLN A 93 6.242 10.114 -5.198 1.00 0.00 C ATOM 1471 O GLN A 93 6.771 9.792 -4.132 1.00 0.00 O ATOM 1472 CB GLN A 93 4.822 12.121 -5.627 1.00 0.00 C ATOM 1473 CG GLN A 93 4.740 13.637 -5.550 1.00 0.00 C ATOM 1474 CD GLN A 93 5.254 14.192 -4.236 1.00 0.00 C ATOM 1475 OE1 GLN A 93 4.548 14.187 -3.230 1.00 0.00 O ATOM 1476 NE2 GLN A 93 6.489 14.676 -4.234 1.00 0.00 N ATOM 0 H GLN A 93 6.094 11.935 -7.732 1.00 0.00 H new ATOM 0 HA GLN A 93 6.889 12.161 -5.022 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.286 11.785 -6.514 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.308 11.698 -4.764 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.314 14.069 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.704 13.947 -5.689 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.044 14.662 -5.090 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.884 15.062 -3.376 1.00 0.00 H new ATOM 1485 N VAL A 94 5.644 9.244 -6.017 1.00 0.00 N ATOM 1486 CA VAL A 94 5.561 7.817 -5.715 1.00 0.00 C ATOM 1487 C VAL A 94 6.950 7.247 -5.413 1.00 0.00 C ATOM 1488 O VAL A 94 7.142 6.528 -4.423 1.00 0.00 O ATOM 1489 CB VAL A 94 4.902 7.044 -6.889 1.00 0.00 C ATOM 1490 CG1 VAL A 94 5.034 5.540 -6.713 1.00 0.00 C ATOM 1491 CG2 VAL A 94 3.434 7.442 -7.021 1.00 0.00 C ATOM 0 H VAL A 94 5.208 9.509 -6.900 1.00 0.00 H new ATOM 0 HA VAL A 94 4.937 7.694 -4.830 1.00 0.00 H new ATOM 0 HB VAL A 94 5.427 7.313 -7.805 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.561 5.032 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.089 5.270 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.546 5.238 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.981 6.894 -7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.908 7.204 -6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.363 8.513 -7.214 1.00 0.00 H new ATOM 1501 N GLY A 95 7.921 7.595 -6.260 1.00 0.00 N ATOM 1502 CA GLY A 95 9.281 7.135 -6.062 1.00 0.00 C ATOM 1503 C GLY A 95 9.850 7.634 -4.758 1.00 0.00 C ATOM 1504 O GLY A 95 10.315 6.842 -3.950 1.00 0.00 O ATOM 0 H GLY A 95 7.785 8.188 -7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.303 6.045 -6.076 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.906 7.477 -6.887 1.00 0.00 H new ATOM 1508 N PHE A 96 9.789 8.953 -4.549 1.00 0.00 N ATOM 1509 CA PHE A 96 10.285 9.573 -3.320 1.00 0.00 C ATOM 1510 C PHE A 96 9.872 8.746 -2.105 1.00 0.00 C ATOM 1511 O PHE A 96 10.679 8.484 -1.216 1.00 0.00 O ATOM 1512 CB PHE A 96 9.735 11.003 -3.200 1.00 0.00 C ATOM 1513 CG PHE A 96 9.690 11.537 -1.792 1.00 0.00 C ATOM 1514 CD1 PHE A 96 8.647 11.204 -0.939 1.00 0.00 C ATOM 1515 CD2 PHE A 96 10.688 12.375 -1.327 1.00 0.00 C ATOM 1516 CE1 PHE A 96 8.605 11.697 0.350 1.00 0.00 C ATOM 1517 CE2 PHE A 96 10.651 12.871 -0.038 1.00 0.00 C ATOM 1518 CZ PHE A 96 9.608 12.531 0.801 1.00 0.00 C ATOM 0 H PHE A 96 9.398 9.614 -5.221 1.00 0.00 H new ATOM 0 HA PHE A 96 11.374 9.612 -3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.349 11.667 -3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.728 11.028 -3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.860 10.552 -1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.505 12.645 -1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.788 11.430 1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.437 13.524 0.313 1.00 0.00 H new ATOM 0 HZ PHE A 96 9.577 12.917 1.809 1.00 0.00 H new ATOM 1528 N TYR A 97 8.610 8.330 -2.084 1.00 0.00 N ATOM 1529 CA TYR A 97 8.087 7.527 -0.989 1.00 0.00 C ATOM 1530 C TYR A 97 8.807 6.186 -0.891 1.00 0.00 C ATOM 1531 O TYR A 97 9.192 5.766 0.194 1.00 0.00 O ATOM 1532 CB TYR A 97 6.585 7.299 -1.171 1.00 0.00 C ATOM 1533 CG TYR A 97 5.767 8.549 -0.940 1.00 0.00 C ATOM 1534 CD1 TYR A 97 5.820 9.221 0.273 1.00 0.00 C ATOM 1535 CD2 TYR A 97 4.954 9.063 -1.940 1.00 0.00 C ATOM 1536 CE1 TYR A 97 5.084 10.369 0.484 1.00 0.00 C ATOM 1537 CE2 TYR A 97 4.216 10.211 -1.739 1.00 0.00 C ATOM 1538 CZ TYR A 97 4.284 10.861 -0.525 1.00 0.00 C ATOM 1539 OH TYR A 97 3.549 12.005 -0.320 1.00 0.00 O ATOM 0 H TYR A 97 7.930 8.537 -2.816 1.00 0.00 H new ATOM 0 HA TYR A 97 8.259 8.074 -0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.398 6.930 -2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.255 6.522 -0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.448 8.839 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.898 8.556 -2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.134 10.879 1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.589 10.598 -2.528 1.00 0.00 H new ATOM 0 HH TYR A 97 3.040 12.217 -1.130 1.00 0.00 H new ATOM 1549 N THR A 98 8.974 5.510 -2.024 1.00 0.00 N ATOM 1550 CA THR A 98 9.629 4.199 -2.038 1.00 0.00 C ATOM 1551 C THR A 98 11.170 4.274 -2.001 1.00 0.00 C ATOM 1552 O THR A 98 11.814 3.308 -1.592 1.00 0.00 O ATOM 1553 CB THR A 98 9.178 3.407 -3.272 1.00 0.00 C ATOM 1554 OG1 THR A 98 9.574 4.055 -4.470 1.00 0.00 O ATOM 1555 CG2 THR A 98 7.679 3.199 -3.333 1.00 0.00 C ATOM 0 H THR A 98 8.669 5.842 -2.939 1.00 0.00 H new ATOM 0 HA THR A 98 9.323 3.692 -1.123 1.00 0.00 H new ATOM 0 HB THR A 98 9.662 2.435 -3.178 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.861 4.970 -4.268 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.426 2.632 -4.229 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.352 2.648 -2.451 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.178 4.167 -3.363 1.00 0.00 H new ATOM 1563 N GLU A 99 11.766 5.389 -2.457 1.00 0.00 N ATOM 1564 CA GLU A 99 13.236 5.510 -2.492 1.00 0.00 C ATOM 1565 C GLU A 99 13.838 6.244 -1.293 1.00 0.00 C ATOM 1566 O GLU A 99 14.884 5.827 -0.803 1.00 0.00 O ATOM 1567 CB GLU A 99 13.708 6.180 -3.791 1.00 0.00 C ATOM 1568 CG GLU A 99 12.955 7.449 -4.165 1.00 0.00 C ATOM 1569 CD GLU A 99 13.872 8.546 -4.668 1.00 0.00 C ATOM 1570 OE1 GLU A 99 14.369 9.334 -3.837 1.00 0.00 O ATOM 1571 OE2 GLU A 99 14.090 8.617 -5.896 1.00 0.00 O ATOM 0 H GLU A 99 11.264 6.207 -2.801 1.00 0.00 H new ATOM 0 HA GLU A 99 13.600 4.483 -2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.768 6.418 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.613 5.464 -4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.218 7.216 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.406 7.810 -3.296 1.00 0.00 H new ATOM 1578 N VAL A 100 13.229 7.342 -0.842 1.00 0.00 N ATOM 1579 CA VAL A 100 13.782 8.096 0.292 1.00 0.00 C ATOM 1580 C VAL A 100 12.952 7.954 1.574 1.00 0.00 C ATOM 1581 O VAL A 100 13.507 7.844 2.668 1.00 0.00 O ATOM 1582 CB VAL A 100 13.967 9.594 -0.043 1.00 0.00 C ATOM 1583 CG1 VAL A 100 12.640 10.267 -0.352 1.00 0.00 C ATOM 1584 CG2 VAL A 100 14.675 10.310 1.096 1.00 0.00 C ATOM 0 H VAL A 100 12.369 7.726 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 100 14.759 7.651 0.479 1.00 0.00 H new ATOM 0 HB VAL A 100 14.586 9.659 -0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 100 12.810 11.319 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 100 12.175 9.778 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.982 10.187 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 100 14.797 11.363 0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 100 14.082 10.221 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.655 9.859 1.256 1.00 0.00 H new ATOM 1594 N LEU A 101 11.630 7.992 1.434 1.00 0.00 N ATOM 1595 CA LEU A 101 10.718 7.905 2.579 1.00 0.00 C ATOM 1596 C LEU A 101 10.765 6.540 3.281 1.00 0.00 C ATOM 1597 O LEU A 101 11.131 6.449 4.449 1.00 0.00 O ATOM 1598 CB LEU A 101 9.284 8.191 2.112 1.00 0.00 C ATOM 1599 CG LEU A 101 8.365 8.840 3.148 1.00 0.00 C ATOM 1600 CD1 LEU A 101 8.308 7.992 4.408 1.00 0.00 C ATOM 1601 CD2 LEU A 101 8.836 10.249 3.476 1.00 0.00 C ATOM 0 H LEU A 101 11.160 8.083 0.533 1.00 0.00 H new ATOM 0 HA LEU A 101 11.044 8.649 3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.329 8.839 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.832 7.253 1.790 1.00 0.00 H new ATOM 0 HG LEU A 101 7.362 8.905 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.650 8.466 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.924 7.002 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.309 7.899 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.169 10.693 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.848 10.210 3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.829 10.855 2.570 1.00 0.00 H new ATOM 1613 N PHE A 102 10.352 5.497 2.562 1.00 0.00 N ATOM 1614 CA PHE A 102 10.287 4.125 3.089 1.00 0.00 C ATOM 1615 C PHE A 102 11.623 3.574 3.638 1.00 0.00 C ATOM 1616 O PHE A 102 11.617 2.799 4.593 1.00 0.00 O ATOM 1617 CB PHE A 102 9.759 3.191 1.995 1.00 0.00 C ATOM 1618 CG PHE A 102 8.291 3.361 1.680 1.00 0.00 C ATOM 1619 CD1 PHE A 102 7.627 4.527 2.021 1.00 0.00 C ATOM 1620 CD2 PHE A 102 7.577 2.354 1.042 1.00 0.00 C ATOM 1621 CE1 PHE A 102 6.289 4.691 1.733 1.00 0.00 C ATOM 1622 CE2 PHE A 102 6.233 2.513 0.755 1.00 0.00 C ATOM 1623 CZ PHE A 102 5.591 3.684 1.100 1.00 0.00 C ATOM 0 H PHE A 102 10.050 5.576 1.591 1.00 0.00 H new ATOM 0 HA PHE A 102 9.614 4.165 3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 102 10.335 3.357 1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 102 9.935 2.159 2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 102 8.165 5.319 2.520 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.077 1.437 0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.787 5.608 2.003 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.688 1.722 0.262 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.543 3.812 0.875 1.00 0.00 H new ATOM 1633 N PRO A 103 12.774 3.927 3.028 1.00 0.00 N ATOM 1634 CA PRO A 103 14.109 3.437 3.439 1.00 0.00 C ATOM 1635 C PRO A 103 14.357 3.374 4.947 1.00 0.00 C ATOM 1636 O PRO A 103 15.058 2.477 5.415 1.00 0.00 O ATOM 1637 CB PRO A 103 15.036 4.467 2.817 1.00 0.00 C ATOM 1638 CG PRO A 103 14.345 4.885 1.572 1.00 0.00 C ATOM 1639 CD PRO A 103 12.871 4.812 1.855 1.00 0.00 C ATOM 0 HA PRO A 103 14.247 2.404 3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.195 5.313 3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.016 4.041 2.603 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.636 5.897 1.288 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.613 4.232 0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.456 5.798 2.064 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.321 4.409 1.005 1.00 0.00 H new ATOM 1647 N GLN A 104 13.814 4.330 5.700 1.00 0.00 N ATOM 1648 CA GLN A 104 14.027 4.360 7.160 1.00 0.00 C ATOM 1649 C GLN A 104 13.698 3.015 7.822 1.00 0.00 C ATOM 1650 O GLN A 104 14.199 2.722 8.909 1.00 0.00 O ATOM 1651 CB GLN A 104 13.233 5.476 7.852 1.00 0.00 C ATOM 1652 CG GLN A 104 12.760 6.580 6.924 1.00 0.00 C ATOM 1653 CD GLN A 104 12.356 7.840 7.664 1.00 0.00 C ATOM 1654 OE1 GLN A 104 13.153 8.765 7.813 1.00 0.00 O ATOM 1655 NE2 GLN A 104 11.114 7.885 8.130 1.00 0.00 N ATOM 0 H GLN A 104 13.232 5.085 5.338 1.00 0.00 H new ATOM 0 HA GLN A 104 15.090 4.565 7.290 1.00 0.00 H new ATOM 0 HB2 GLN A 104 12.366 5.036 8.344 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.854 5.916 8.633 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.555 6.819 6.217 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.912 6.219 6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 104 10.486 7.095 7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.788 8.710 8.634 1.00 0.00 H new ATOM 1664 N LYS A 105 12.856 2.200 7.175 1.00 0.00 N ATOM 1665 CA LYS A 105 12.478 0.898 7.731 1.00 0.00 C ATOM 1666 C LYS A 105 12.753 -0.263 6.766 1.00 0.00 C ATOM 1667 O LYS A 105 12.410 -1.404 7.078 1.00 0.00 O ATOM 1668 CB LYS A 105 10.990 0.874 8.111 1.00 0.00 C ATOM 1669 CG LYS A 105 10.383 2.238 8.389 1.00 0.00 C ATOM 1670 CD LYS A 105 9.911 2.921 7.119 1.00 0.00 C ATOM 1671 CE LYS A 105 10.462 4.331 7.026 1.00 0.00 C ATOM 1672 NZ LYS A 105 9.531 5.257 6.336 1.00 0.00 N ATOM 0 H LYS A 105 12.428 2.417 6.275 1.00 0.00 H new ATOM 0 HA LYS A 105 13.097 0.762 8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.431 0.400 7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.865 0.249 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.543 2.128 9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.120 2.868 8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 105 10.230 2.344 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.822 2.950 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.666 4.706 8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 105 11.413 4.312 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.076 5.969 5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.934 4.720 5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.929 5.732 7.039 1.00 0.00 H new ATOM 1686 N ASN A 106 13.342 0.018 5.592 1.00 0.00 N ATOM 1687 CA ASN A 106 13.611 -1.029 4.603 1.00 0.00 C ATOM 1688 C ASN A 106 12.280 -1.615 4.134 1.00 0.00 C ATOM 1689 O ASN A 106 11.682 -2.462 4.798 1.00 0.00 O ATOM 1690 CB ASN A 106 14.530 -2.099 5.196 1.00 0.00 C ATOM 1691 CG ASN A 106 14.788 -3.268 4.271 1.00 0.00 C ATOM 1692 OD1 ASN A 106 14.233 -3.360 3.176 1.00 0.00 O ATOM 1693 ND2 ASN A 106 15.643 -4.175 4.715 1.00 0.00 N ATOM 0 H ASN A 106 13.637 0.953 5.310 1.00 0.00 H new ATOM 0 HA ASN A 106 14.129 -0.609 3.741 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.483 -1.640 5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.089 -2.471 6.121 1.00 0.00 H new ATOM 0 HD21 ASN A 106 15.865 -4.990 4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.080 -4.059 5.629 1.00 0.00 H new ATOM 1700 N VAL A 107 11.796 -1.088 3.016 1.00 0.00 N ATOM 1701 CA VAL A 107 10.501 -1.468 2.467 1.00 0.00 C ATOM 1702 C VAL A 107 10.560 -2.341 1.219 1.00 0.00 C ATOM 1703 O VAL A 107 11.460 -2.224 0.384 1.00 0.00 O ATOM 1704 CB VAL A 107 9.677 -0.227 2.135 1.00 0.00 C ATOM 1705 CG1 VAL A 107 10.026 0.287 0.742 1.00 0.00 C ATOM 1706 CG2 VAL A 107 8.201 -0.554 2.264 1.00 0.00 C ATOM 0 H VAL A 107 12.290 -0.386 2.465 1.00 0.00 H new ATOM 0 HA VAL A 107 10.039 -2.065 3.253 1.00 0.00 H new ATOM 0 HB VAL A 107 9.912 0.571 2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 107 9.430 1.172 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 107 11.085 0.544 0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.813 -0.487 0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.610 0.331 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 107 7.944 -1.357 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.986 -0.871 3.285 1.00 0.00 H new ATOM 1716 N ARG A 108 9.532 -3.174 1.093 1.00 0.00 N ATOM 1717 CA ARG A 108 9.352 -4.041 -0.053 1.00 0.00 C ATOM 1718 C ARG A 108 7.987 -3.732 -0.650 1.00 0.00 C ATOM 1719 O ARG A 108 6.965 -4.264 -0.215 1.00 0.00 O ATOM 1720 CB ARG A 108 9.463 -5.519 0.336 1.00 0.00 C ATOM 1721 CG ARG A 108 10.287 -6.339 -0.640 1.00 0.00 C ATOM 1722 CD ARG A 108 9.555 -6.531 -1.959 1.00 0.00 C ATOM 1723 NE ARG A 108 10.458 -6.920 -3.041 1.00 0.00 N ATOM 1724 CZ ARG A 108 10.914 -8.161 -3.229 1.00 0.00 C ATOM 1725 NH1 ARG A 108 10.563 -9.145 -2.405 1.00 0.00 N ATOM 1726 NH2 ARG A 108 11.724 -8.418 -4.249 1.00 0.00 N ATOM 0 H ARG A 108 8.796 -3.263 1.794 1.00 0.00 H new ATOM 0 HA ARG A 108 10.138 -3.858 -0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 108 9.908 -5.593 1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 108 8.462 -5.946 0.403 1.00 0.00 H new ATOM 0 HG2 ARG A 108 11.241 -5.843 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.512 -7.311 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 108 8.786 -7.294 -1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 108 9.046 -5.605 -2.228 1.00 0.00 H new ATOM 0 HE ARG A 108 10.759 -6.197 -3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 108 9.940 -8.955 -1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.917 -10.089 -2.558 1.00 0.00 H new ATOM 0 HH21 ARG A 108 11.996 -7.669 -4.886 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.074 -9.365 -4.396 1.00 0.00 H new ATOM 1740 N PHE A 109 7.979 -2.825 -1.620 1.00 0.00 N ATOM 1741 CA PHE A 109 6.743 -2.389 -2.250 1.00 0.00 C ATOM 1742 C PHE A 109 6.275 -3.386 -3.301 1.00 0.00 C ATOM 1743 O PHE A 109 7.090 -4.023 -3.969 1.00 0.00 O ATOM 1744 CB PHE A 109 6.944 -1.028 -2.904 1.00 0.00 C ATOM 1745 CG PHE A 109 5.719 -0.160 -2.887 1.00 0.00 C ATOM 1746 CD1 PHE A 109 4.642 -0.431 -3.716 1.00 0.00 C ATOM 1747 CD2 PHE A 109 5.657 0.935 -2.049 1.00 0.00 C ATOM 1748 CE1 PHE A 109 3.524 0.374 -3.709 1.00 0.00 C ATOM 1749 CE2 PHE A 109 4.544 1.752 -2.034 1.00 0.00 C ATOM 1750 CZ PHE A 109 3.473 1.472 -2.867 1.00 0.00 C ATOM 0 H PHE A 109 8.819 -2.377 -1.987 1.00 0.00 H new ATOM 0 HA PHE A 109 5.981 -2.320 -1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.754 -0.507 -2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 109 7.259 -1.175 -3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.680 -1.285 -4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.489 1.155 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.690 0.149 -4.358 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.508 2.607 -1.375 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.601 2.109 -2.860 1.00 0.00 H new ATOM 1760 N LEU A 110 4.959 -3.512 -3.450 1.00 0.00 N ATOM 1761 CA LEU A 110 4.396 -4.429 -4.428 1.00 0.00 C ATOM 1762 C LEU A 110 3.234 -3.805 -5.186 1.00 0.00 C ATOM 1763 O LEU A 110 2.307 -3.241 -4.602 1.00 0.00 O ATOM 1764 CB LEU A 110 3.953 -5.729 -3.754 1.00 0.00 C ATOM 1765 CG LEU A 110 3.613 -6.900 -4.693 1.00 0.00 C ATOM 1766 CD1 LEU A 110 2.488 -6.539 -5.645 1.00 0.00 C ATOM 1767 CD2 LEU A 110 4.846 -7.334 -5.472 1.00 0.00 C ATOM 0 H LEU A 110 4.269 -2.993 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 110 5.180 -4.654 -5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.745 -6.051 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.077 -5.516 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 110 3.275 -7.732 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.274 -7.388 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.595 -6.284 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.786 -5.685 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.587 -8.163 -6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.213 -6.498 -6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.622 -7.652 -4.776 1.00 0.00 H new ATOM 1779 N ALA A 111 3.295 -3.968 -6.495 1.00 0.00 N ATOM 1780 CA ALA A 111 2.264 -3.495 -7.409 1.00 0.00 C ATOM 1781 C ALA A 111 1.788 -4.693 -8.220 1.00 0.00 C ATOM 1782 O ALA A 111 2.464 -5.140 -9.146 1.00 0.00 O ATOM 1783 CB ALA A 111 2.799 -2.374 -8.291 1.00 0.00 C ATOM 0 H ALA A 111 4.070 -4.438 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 111 1.421 -3.071 -6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.013 -2.035 -8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.123 -1.542 -7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.644 -2.741 -8.873 1.00 0.00 H new ATOM 1789 N ILE A 112 0.667 -5.264 -7.801 1.00 0.00 N ATOM 1790 CA ILE A 112 0.139 -6.486 -8.422 1.00 0.00 C ATOM 1791 C ILE A 112 -0.235 -6.357 -9.911 1.00 0.00 C ATOM 1792 O ILE A 112 0.050 -7.265 -10.692 1.00 0.00 O ATOM 1793 CB ILE A 112 -1.078 -7.022 -7.632 1.00 0.00 C ATOM 1794 CG1 ILE A 112 -0.620 -7.585 -6.286 1.00 0.00 C ATOM 1795 CG2 ILE A 112 -1.821 -8.088 -8.426 1.00 0.00 C ATOM 1796 CD1 ILE A 112 -1.636 -7.421 -5.182 1.00 0.00 C ATOM 0 H ILE A 112 0.100 -4.905 -7.033 1.00 0.00 H new ATOM 0 HA ILE A 112 0.969 -7.191 -8.381 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.765 -6.194 -7.458 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.393 -8.644 -6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 112 0.306 -7.091 -5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.672 -8.447 -7.846 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.175 -7.662 -9.365 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -1.149 -8.920 -8.636 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.241 -7.844 -4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.846 -6.362 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.556 -7.939 -5.454 1.00 0.00 H new ATOM 1808 N ASN A 113 -0.911 -5.275 -10.295 1.00 0.00 N ATOM 1809 CA ASN A 113 -1.362 -5.105 -11.686 1.00 0.00 C ATOM 1810 C ASN A 113 -0.311 -4.490 -12.623 1.00 0.00 C ATOM 1811 O ASN A 113 -0.651 -4.103 -13.741 1.00 0.00 O ATOM 1812 CB ASN A 113 -2.631 -4.246 -11.711 1.00 0.00 C ATOM 1813 CG ASN A 113 -3.487 -4.504 -12.937 1.00 0.00 C ATOM 1814 OD1 ASN A 113 -3.913 -5.630 -13.185 1.00 0.00 O ATOM 1815 ND2 ASN A 113 -3.747 -3.455 -13.711 1.00 0.00 N ATOM 0 H ASN A 113 -1.159 -4.506 -9.673 1.00 0.00 H new ATOM 0 HA ASN A 113 -1.555 -6.109 -12.065 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -3.218 -4.445 -10.814 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -2.353 -3.193 -11.682 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -4.320 -3.568 -14.547 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -3.374 -2.537 -13.469 1.00 0.00 H new ATOM 1822 N ASN A 114 0.951 -4.398 -12.194 1.00 0.00 N ATOM 1823 CA ASN A 114 2.001 -3.817 -13.044 1.00 0.00 C ATOM 1824 C ASN A 114 3.364 -3.829 -12.358 1.00 0.00 C ATOM 1825 O ASN A 114 3.452 -3.858 -11.132 1.00 0.00 O ATOM 1826 CB ASN A 114 1.647 -2.376 -13.415 1.00 0.00 C ATOM 1827 CG ASN A 114 1.547 -2.163 -14.916 1.00 0.00 C ATOM 1828 OD1 ASN A 114 2.536 -1.849 -15.575 1.00 0.00 O ATOM 1829 ND2 ASN A 114 0.350 -2.331 -15.465 1.00 0.00 N ATOM 0 H ASN A 114 1.270 -4.712 -11.278 1.00 0.00 H new ATOM 0 HA ASN A 114 2.061 -4.433 -13.941 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.698 -2.109 -12.951 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.402 -1.704 -13.007 1.00 0.00 H new ATOM 0 HD21 ASN A 114 0.226 -2.199 -16.469 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.446 -2.592 -14.883 1.00 0.00 H new ATOM 1836 N SER A 115 4.427 -3.780 -13.163 1.00 0.00 N ATOM 1837 CA SER A 115 5.787 -3.760 -12.634 1.00 0.00 C ATOM 1838 C SER A 115 6.010 -2.489 -11.820 1.00 0.00 C ATOM 1839 O SER A 115 6.034 -1.384 -12.365 1.00 0.00 O ATOM 1840 CB SER A 115 6.813 -3.849 -13.764 1.00 0.00 C ATOM 1841 OG SER A 115 7.926 -4.641 -13.384 1.00 0.00 O ATOM 0 H SER A 115 4.370 -3.754 -14.181 1.00 0.00 H new ATOM 0 HA SER A 115 5.918 -4.627 -11.987 1.00 0.00 H new ATOM 0 HB2 SER A 115 6.345 -4.276 -14.651 1.00 0.00 H new ATOM 0 HB3 SER A 115 7.150 -2.848 -14.032 1.00 0.00 H new ATOM 0 HG SER A 115 8.742 -4.099 -13.423 1.00 0.00 H new ATOM 1847 N ILE A 116 6.143 -2.660 -10.510 1.00 0.00 N ATOM 1848 CA ILE A 116 6.335 -1.544 -9.588 1.00 0.00 C ATOM 1849 C ILE A 116 7.570 -0.698 -9.930 1.00 0.00 C ATOM 1850 O ILE A 116 7.509 0.530 -9.901 1.00 0.00 O ATOM 1851 CB ILE A 116 6.424 -2.056 -8.130 1.00 0.00 C ATOM 1852 CG1 ILE A 116 5.769 -1.056 -7.171 1.00 0.00 C ATOM 1853 CG2 ILE A 116 7.868 -2.340 -7.737 1.00 0.00 C ATOM 1854 CD1 ILE A 116 6.627 0.151 -6.851 1.00 0.00 C ATOM 0 H ILE A 116 6.121 -3.573 -10.057 1.00 0.00 H new ATOM 0 HA ILE A 116 5.465 -0.896 -9.693 1.00 0.00 H new ATOM 0 HB ILE A 116 5.877 -2.997 -8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.829 -0.715 -7.606 1.00 0.00 H new ATOM 0 HG13 ILE A 116 5.522 -1.569 -6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.901 -2.698 -6.708 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.283 -3.100 -8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.455 -1.425 -7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 116 6.090 0.808 -6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 116 7.556 -0.176 -6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.853 0.691 -7.771 1.00 0.00 H new ATOM 1866 N ASP A 117 8.685 -1.361 -10.240 1.00 0.00 N ATOM 1867 CA ASP A 117 9.935 -0.672 -10.569 1.00 0.00 C ATOM 1868 C ASP A 117 10.941 -1.648 -11.182 1.00 0.00 C ATOM 1869 O ASP A 117 11.638 -1.313 -12.139 1.00 0.00 O ATOM 1870 CB ASP A 117 10.543 -0.053 -9.310 1.00 0.00 C ATOM 1871 CG ASP A 117 11.375 1.177 -9.609 1.00 0.00 C ATOM 1872 OD1 ASP A 117 12.358 1.065 -10.373 1.00 0.00 O ATOM 1873 OD2 ASP A 117 11.046 2.252 -9.078 1.00 0.00 O ATOM 0 H ASP A 117 8.748 -2.379 -10.270 1.00 0.00 H new ATOM 0 HA ASP A 117 9.710 0.113 -11.291 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.744 0.213 -8.618 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.165 -0.795 -8.809 1.00 0.00 H new ATOM 1878 N SER A 118 11.010 -2.852 -10.598 1.00 0.00 N ATOM 1879 CA SER A 118 11.926 -3.903 -11.042 1.00 0.00 C ATOM 1880 C SER A 118 12.012 -3.994 -12.568 1.00 0.00 C ATOM 1881 O SER A 118 11.010 -3.835 -13.268 1.00 0.00 O ATOM 1882 CB SER A 118 11.497 -5.256 -10.466 1.00 0.00 C ATOM 1883 OG SER A 118 12.414 -5.709 -9.485 1.00 0.00 O ATOM 0 H SER A 118 10.430 -3.122 -9.803 1.00 0.00 H new ATOM 0 HA SER A 118 12.917 -3.641 -10.672 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.504 -5.168 -10.026 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.427 -5.990 -11.269 1.00 0.00 H new ATOM 0 HG SER A 118 12.116 -6.573 -9.133 1.00 0.00 H new ATOM 1889 N ASN A 119 13.221 -4.259 -13.072 1.00 0.00 N ATOM 1890 CA ASN A 119 13.458 -4.377 -14.503 1.00 0.00 C ATOM 1891 C ASN A 119 13.185 -5.792 -14.992 1.00 0.00 C ATOM 1892 O ASN A 119 13.329 -6.763 -14.247 1.00 0.00 O ATOM 1893 CB ASN A 119 14.899 -3.998 -14.842 1.00 0.00 C ATOM 1894 CG ASN A 119 14.985 -2.747 -15.679 1.00 0.00 C ATOM 1895 OD1 ASN A 119 15.398 -2.784 -16.838 1.00 0.00 O ATOM 1896 ND2 ASN A 119 14.599 -1.625 -15.091 1.00 0.00 N ATOM 0 H ASN A 119 14.054 -4.396 -12.499 1.00 0.00 H new ATOM 0 HA ASN A 119 12.774 -3.693 -15.004 1.00 0.00 H new ATOM 0 HB2 ASN A 119 15.460 -3.853 -13.919 1.00 0.00 H new ATOM 0 HB3 ASN A 119 15.372 -4.822 -15.376 1.00 0.00 H new ATOM 0 HD21 ASN A 119 14.637 -0.743 -15.601 1.00 0.00 H new ATOM 0 HD22 ASN A 119 14.264 -1.643 -14.128 1.00 0.00 H new ATOM 1903 N ASN A 120 12.803 -5.892 -16.257 1.00 0.00 N ATOM 1904 CA ASN A 120 12.515 -7.178 -16.883 1.00 0.00 C ATOM 1905 C ASN A 120 12.186 -7.003 -18.365 1.00 0.00 C ATOM 1906 O ASN A 120 11.050 -6.586 -18.677 1.00 0.00 O ATOM 1907 CB ASN A 120 11.359 -7.877 -16.163 1.00 0.00 C ATOM 1908 CG ASN A 120 11.488 -9.388 -16.187 1.00 0.00 C ATOM 1909 OD1 ASN A 120 10.734 -10.075 -16.877 1.00 0.00 O ATOM 1910 ND2 ASN A 120 12.445 -9.916 -15.432 1.00 0.00 N ATOM 1911 OXT ASN A 120 13.069 -7.284 -19.202 1.00 0.00 O ATOM 0 H ASN A 120 12.684 -5.091 -16.877 1.00 0.00 H new ATOM 0 HA ASN A 120 13.406 -7.800 -16.802 1.00 0.00 H new ATOM 0 HB2 ASN A 120 11.320 -7.535 -15.129 1.00 0.00 H new ATOM 0 HB3 ASN A 120 10.417 -7.589 -16.630 1.00 0.00 H new ATOM 0 HD21 ASN A 120 12.577 -10.927 -15.409 1.00 0.00 H new ATOM 0 HD22 ASN A 120 13.048 -9.310 -14.875 1.00 0.00 H new TER 1918 ASN A 120