USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 743 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 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 ASN : amide:sc= -0.394 K(o=-0.53,f=-6.7!) USER MOD Set 2.2: A 69 SER OG : rot 4:sc= -0.131 USER MOD Set 3.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0105 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 0.58 USER MOD Single : A 3 SER OG : rot -164:sc= 0.983 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=-0.12) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -59:sc= -3.03! USER MOD Single : A 16 SER OG : rot -141:sc= -0.128 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 88:sc= 1.28 USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.0526 (180deg=-0.327) USER MOD Single : A 36 GLN : amide:sc= -0.0587 K(o=-0.059,f=-0.83) USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= -0.144 (180deg=-0.361) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 29:sc= -0.469 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 47 THR OG1 : rot -108:sc= 0.696 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.383 K(o=-0.38,f=-1.9) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.68) USER MOD Single : A 74 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.7!) USER MOD Single : A 75 TYR OH : rot 99:sc= 0.67 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -117:sc= -0.514 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.305 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 53:sc= 0.42 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.207 -6.052 -13.677 1.00 0.00 N ATOM 2 CA GLY A 1 22.704 -7.073 -12.716 1.00 0.00 C ATOM 3 C GLY A 1 22.751 -8.477 -13.284 1.00 0.00 C ATOM 4 O GLY A 1 23.660 -8.819 -14.040 1.00 0.00 O ATOM 0 H1 GLY A 1 23.749 -5.328 -13.163 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.822 -6.510 -14.380 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.402 -5.604 -14.160 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.300 -7.033 -11.804 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.678 -6.831 -12.438 1.00 0.00 H new ATOM 10 N SER A 2 21.769 -9.294 -12.918 1.00 0.00 N ATOM 11 CA SER A 2 21.701 -10.670 -13.396 1.00 0.00 C ATOM 12 C SER A 2 20.266 -11.185 -13.368 1.00 0.00 C ATOM 13 O SER A 2 19.765 -11.711 -14.362 1.00 0.00 O ATOM 14 CB SER A 2 22.596 -11.573 -12.544 1.00 0.00 C ATOM 15 OG SER A 2 23.951 -11.472 -12.944 1.00 0.00 O ATOM 0 H SER A 2 21.009 -9.027 -12.292 1.00 0.00 H new ATOM 0 HA SER A 2 22.055 -10.688 -14.427 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.502 -11.297 -11.494 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.264 -12.607 -12.632 1.00 0.00 H new ATOM 0 HG SER A 2 24.091 -10.623 -13.412 1.00 0.00 H new ATOM 21 N SER A 3 19.610 -11.032 -12.223 1.00 0.00 N ATOM 22 CA SER A 3 18.232 -11.481 -12.064 1.00 0.00 C ATOM 23 C SER A 3 17.257 -10.474 -12.668 1.00 0.00 C ATOM 24 O SER A 3 16.237 -10.851 -13.243 1.00 0.00 O ATOM 25 CB SER A 3 17.910 -11.695 -10.584 1.00 0.00 C ATOM 26 OG SER A 3 16.794 -12.552 -10.423 1.00 0.00 O ATOM 0 H SER A 3 20.011 -10.600 -11.391 1.00 0.00 H new ATOM 0 HA SER A 3 18.122 -12.428 -12.593 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.776 -12.122 -10.078 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.706 -10.735 -10.111 1.00 0.00 H new ATOM 0 HG SER A 3 16.448 -12.470 -9.510 1.00 0.00 H new ATOM 32 N GLY A 4 17.581 -9.192 -12.533 1.00 0.00 N ATOM 33 CA GLY A 4 16.724 -8.152 -13.071 1.00 0.00 C ATOM 34 C GLY A 4 15.887 -7.478 -12.001 1.00 0.00 C ATOM 35 O GLY A 4 15.545 -6.302 -12.121 1.00 0.00 O ATOM 0 H GLY A 4 18.420 -8.855 -12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.337 -7.404 -13.573 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.065 -8.582 -13.825 1.00 0.00 H new ATOM 39 N SER A 5 15.559 -8.225 -10.952 1.00 0.00 N ATOM 40 CA SER A 5 14.757 -7.693 -9.855 1.00 0.00 C ATOM 41 C SER A 5 15.447 -7.926 -8.515 1.00 0.00 C ATOM 42 O SER A 5 15.914 -6.985 -7.874 1.00 0.00 O ATOM 43 CB SER A 5 13.372 -8.340 -9.848 1.00 0.00 C ATOM 44 OG SER A 5 12.573 -7.824 -8.798 1.00 0.00 O ATOM 0 H SER A 5 15.836 -9.200 -10.838 1.00 0.00 H new ATOM 0 HA SER A 5 14.647 -6.619 -10.005 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.880 -8.163 -10.804 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.472 -9.420 -9.736 1.00 0.00 H new ATOM 0 HG SER A 5 11.692 -8.253 -8.816 1.00 0.00 H new ATOM 50 N SER A 6 15.508 -9.187 -8.098 1.00 0.00 N ATOM 51 CA SER A 6 16.141 -9.544 -6.834 1.00 0.00 C ATOM 52 C SER A 6 16.907 -10.858 -6.962 1.00 0.00 C ATOM 53 O SER A 6 16.883 -11.502 -8.010 1.00 0.00 O ATOM 54 CB SER A 6 15.092 -9.658 -5.728 1.00 0.00 C ATOM 55 OG SER A 6 14.223 -8.539 -5.732 1.00 0.00 O ATOM 0 H SER A 6 15.127 -9.978 -8.617 1.00 0.00 H new ATOM 0 HA SER A 6 16.847 -8.755 -6.575 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.514 -10.572 -5.864 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.587 -9.735 -4.760 1.00 0.00 H new ATOM 0 HG SER A 6 13.561 -8.637 -5.016 1.00 0.00 H new ATOM 61 N GLY A 7 17.585 -11.247 -5.888 1.00 0.00 N ATOM 62 CA GLY A 7 18.348 -12.482 -5.901 1.00 0.00 C ATOM 63 C GLY A 7 18.678 -12.975 -4.507 1.00 0.00 C ATOM 64 O GLY A 7 19.846 -13.179 -4.173 1.00 0.00 O ATOM 0 H GLY A 7 17.620 -10.730 -5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.782 -13.249 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.273 -12.328 -6.457 1.00 0.00 H new ATOM 68 N LEU A 8 17.648 -13.168 -3.689 1.00 0.00 N ATOM 69 CA LEU A 8 17.834 -13.640 -2.322 1.00 0.00 C ATOM 70 C LEU A 8 16.957 -14.862 -2.045 1.00 0.00 C ATOM 71 O LEU A 8 15.747 -14.827 -2.266 1.00 0.00 O ATOM 72 CB LEU A 8 17.506 -12.524 -1.327 1.00 0.00 C ATOM 73 CG LEU A 8 18.522 -12.344 -0.198 1.00 0.00 C ATOM 74 CD1 LEU A 8 19.875 -11.933 -0.758 1.00 0.00 C ATOM 75 CD2 LEU A 8 18.024 -11.316 0.807 1.00 0.00 C ATOM 0 H LEU A 8 16.675 -13.005 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 8 18.878 -13.929 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 8 17.422 -11.584 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.529 -12.725 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 8 18.640 -13.298 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 8 20.585 -11.810 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 8 20.236 -12.704 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 8 19.775 -10.991 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.759 -11.200 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.878 -10.359 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.078 -11.651 1.232 1.00 0.00 H new ATOM 87 N PRO A 9 17.556 -15.966 -1.557 1.00 0.00 N ATOM 88 CA PRO A 9 16.814 -17.194 -1.255 1.00 0.00 C ATOM 89 C PRO A 9 15.626 -16.940 -0.334 1.00 0.00 C ATOM 90 O PRO A 9 15.553 -15.909 0.333 1.00 0.00 O ATOM 91 CB PRO A 9 17.851 -18.078 -0.556 1.00 0.00 C ATOM 92 CG PRO A 9 19.165 -17.581 -1.049 1.00 0.00 C ATOM 93 CD PRO A 9 18.995 -16.103 -1.262 1.00 0.00 C ATOM 0 HA PRO A 9 16.390 -17.643 -2.153 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.777 -17.993 0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 9 17.707 -19.130 -0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.955 -17.783 -0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 9 19.448 -18.079 -1.977 1.00 0.00 H new ATOM 0 HD2 PRO A 9 19.280 -15.534 -0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.611 -15.742 -2.086 1.00 0.00 H new ATOM 101 N ASN A 10 14.695 -17.889 -0.302 1.00 0.00 N ATOM 102 CA ASN A 10 13.509 -17.770 0.538 1.00 0.00 C ATOM 103 C ASN A 10 13.090 -19.131 1.084 1.00 0.00 C ATOM 104 O ASN A 10 13.357 -20.165 0.473 1.00 0.00 O ATOM 105 CB ASN A 10 12.358 -17.149 -0.256 1.00 0.00 C ATOM 106 CG ASN A 10 12.389 -15.634 -0.231 1.00 0.00 C ATOM 107 OD1 ASN A 10 12.950 -14.998 -1.123 1.00 0.00 O ATOM 108 ND2 ASN A 10 11.785 -15.046 0.796 1.00 0.00 N ATOM 0 H ASN A 10 14.740 -18.749 -0.849 1.00 0.00 H new ATOM 0 HA ASN A 10 13.753 -17.121 1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.406 -17.493 -1.289 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.409 -17.497 0.153 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.774 -14.029 0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.332 -15.612 1.513 1.00 0.00 H new ATOM 115 N SER A 11 12.433 -19.122 2.239 1.00 0.00 N ATOM 116 CA SER A 11 11.977 -20.356 2.868 1.00 0.00 C ATOM 117 C SER A 11 10.772 -20.097 3.766 1.00 0.00 C ATOM 118 O SER A 11 10.592 -20.760 4.788 1.00 0.00 O ATOM 119 CB SER A 11 13.109 -20.986 3.683 1.00 0.00 C ATOM 120 OG SER A 11 13.090 -22.398 3.574 1.00 0.00 O ATOM 0 H SER A 11 12.205 -18.274 2.758 1.00 0.00 H new ATOM 0 HA SER A 11 11.678 -21.047 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 11 14.069 -20.604 3.335 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.012 -20.697 4.730 1.00 0.00 H new ATOM 0 HG SER A 11 13.824 -22.777 4.102 1.00 0.00 H new ATOM 126 N ASP A 12 9.949 -19.127 3.379 1.00 0.00 N ATOM 127 CA ASP A 12 8.760 -18.780 4.149 1.00 0.00 C ATOM 128 C ASP A 12 7.695 -18.158 3.252 1.00 0.00 C ATOM 129 O ASP A 12 7.810 -18.181 2.027 1.00 0.00 O ATOM 130 CB ASP A 12 9.125 -17.816 5.280 1.00 0.00 C ATOM 131 CG ASP A 12 8.665 -18.315 6.636 1.00 0.00 C ATOM 132 OD1 ASP A 12 7.501 -18.056 7.001 1.00 0.00 O ATOM 133 OD2 ASP A 12 9.472 -18.967 7.333 1.00 0.00 O ATOM 0 H ASP A 12 10.084 -18.568 2.537 1.00 0.00 H new ATOM 0 HA ASP A 12 8.353 -19.695 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.205 -17.672 5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.676 -16.842 5.083 1.00 0.00 H new ATOM 138 N HIS A 13 6.658 -17.603 3.871 1.00 0.00 N ATOM 139 CA HIS A 13 5.571 -16.975 3.129 1.00 0.00 C ATOM 140 C HIS A 13 5.773 -15.465 3.043 1.00 0.00 C ATOM 141 O HIS A 13 5.935 -14.911 1.955 1.00 0.00 O ATOM 142 CB HIS A 13 4.226 -17.287 3.790 1.00 0.00 C ATOM 143 CG HIS A 13 3.164 -17.698 2.819 1.00 0.00 C ATOM 144 ND1 HIS A 13 3.023 -17.156 1.560 1.00 0.00 N ATOM 145 CD2 HIS A 13 2.177 -18.622 2.941 1.00 0.00 C ATOM 146 CE1 HIS A 13 1.978 -17.752 0.971 1.00 0.00 C ATOM 147 NE2 HIS A 13 1.430 -18.651 1.767 1.00 0.00 N ATOM 0 H HIS A 13 6.548 -17.575 4.885 1.00 0.00 H new ATOM 0 HA HIS A 13 5.572 -17.381 2.118 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.366 -18.083 4.522 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.886 -16.407 4.337 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.000 -19.237 3.811 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.629 -17.526 -0.026 1.00 0.00 H new ATOM 0 HE2 HIS A 13 0.626 -19.244 1.564 1.00 0.00 H new ATOM 155 N THR A 14 5.762 -14.805 4.196 1.00 0.00 N ATOM 156 CA THR A 14 5.944 -13.358 4.250 1.00 0.00 C ATOM 157 C THR A 14 7.384 -13.004 4.611 1.00 0.00 C ATOM 158 O THR A 14 8.223 -13.885 4.799 1.00 0.00 O ATOM 159 CB THR A 14 4.985 -12.741 5.270 1.00 0.00 C ATOM 160 OG1 THR A 14 5.337 -13.126 6.586 1.00 0.00 O ATOM 161 CG2 THR A 14 3.541 -13.134 5.046 1.00 0.00 C ATOM 0 H THR A 14 5.629 -15.248 5.105 1.00 0.00 H new ATOM 0 HA THR A 14 5.725 -12.952 3.262 1.00 0.00 H new ATOM 0 HB THR A 14 5.076 -11.663 5.137 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.713 -12.720 7.224 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.914 -12.663 5.803 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.224 -12.805 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.444 -14.217 5.117 1.00 0.00 H new ATOM 169 N THR A 15 7.663 -11.708 4.705 1.00 0.00 N ATOM 170 CA THR A 15 9.001 -11.236 5.043 1.00 0.00 C ATOM 171 C THR A 15 9.013 -9.722 5.234 1.00 0.00 C ATOM 172 O THR A 15 9.967 -9.045 4.852 1.00 0.00 O ATOM 173 CB THR A 15 9.995 -11.632 3.949 1.00 0.00 C ATOM 174 OG1 THR A 15 11.269 -11.066 4.202 1.00 0.00 O ATOM 175 CG2 THR A 15 9.566 -11.198 2.565 1.00 0.00 C ATOM 0 H THR A 15 6.980 -10.966 4.552 1.00 0.00 H new ATOM 0 HA THR A 15 9.298 -11.704 5.982 1.00 0.00 H new ATOM 0 HB THR A 15 10.034 -12.721 3.974 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.192 -10.090 4.236 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.315 -11.510 1.837 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.608 -11.658 2.320 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.465 -10.113 2.539 1.00 0.00 H new ATOM 183 N SER A 16 7.945 -9.199 5.828 1.00 0.00 N ATOM 184 CA SER A 16 7.831 -7.766 6.071 1.00 0.00 C ATOM 185 C SER A 16 8.944 -7.276 6.993 1.00 0.00 C ATOM 186 O SER A 16 9.341 -6.113 6.939 1.00 0.00 O ATOM 187 CB SER A 16 6.468 -7.438 6.682 1.00 0.00 C ATOM 188 OG SER A 16 5.426 -7.640 5.742 1.00 0.00 O ATOM 0 H SER A 16 7.147 -9.746 6.150 1.00 0.00 H new ATOM 0 HA SER A 16 7.927 -7.254 5.113 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.298 -8.064 7.558 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.459 -6.403 7.023 1.00 0.00 H new ATOM 0 HG SER A 16 4.752 -6.936 5.845 1.00 0.00 H new ATOM 194 N ARG A 17 9.446 -8.172 7.839 1.00 0.00 N ATOM 195 CA ARG A 17 10.513 -7.828 8.772 1.00 0.00 C ATOM 196 C ARG A 17 11.877 -8.213 8.208 1.00 0.00 C ATOM 197 O ARG A 17 12.744 -8.702 8.931 1.00 0.00 O ATOM 198 CB ARG A 17 10.288 -8.525 10.115 1.00 0.00 C ATOM 199 CG ARG A 17 10.757 -7.711 11.310 1.00 0.00 C ATOM 200 CD ARG A 17 9.585 -7.125 12.081 1.00 0.00 C ATOM 201 NE ARG A 17 9.954 -5.904 12.793 1.00 0.00 N ATOM 202 CZ ARG A 17 9.084 -5.130 13.437 1.00 0.00 C ATOM 203 NH1 ARG A 17 7.795 -5.445 13.461 1.00 0.00 N ATOM 204 NH2 ARG A 17 9.504 -4.037 14.061 1.00 0.00 N ATOM 0 H ARG A 17 9.131 -9.140 7.897 1.00 0.00 H new ATOM 0 HA ARG A 17 10.495 -6.749 8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.226 -8.742 10.228 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.810 -9.482 10.110 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.349 -8.343 11.972 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.409 -6.906 10.970 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.769 -6.910 11.391 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.215 -7.862 12.793 1.00 0.00 H new ATOM 0 HE ARG A 17 10.936 -5.629 12.797 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.466 -6.285 12.984 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.133 -4.848 13.956 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.494 -3.790 14.047 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.837 -3.444 14.555 1.00 0.00 H new ATOM 218 N ALA A 18 12.061 -7.988 6.910 1.00 0.00 N ATOM 219 CA ALA A 18 13.320 -8.311 6.250 1.00 0.00 C ATOM 220 C ALA A 18 13.650 -7.289 5.167 1.00 0.00 C ATOM 221 O ALA A 18 14.775 -6.796 5.087 1.00 0.00 O ATOM 222 CB ALA A 18 13.261 -9.710 5.657 1.00 0.00 C ATOM 0 H ALA A 18 11.354 -7.584 6.296 1.00 0.00 H new ATOM 0 HA ALA A 18 14.112 -8.278 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.208 -9.938 5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.080 -10.434 6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.453 -9.762 4.927 1.00 0.00 H new ATOM 228 N MET A 19 12.662 -6.977 4.335 1.00 0.00 N ATOM 229 CA MET A 19 12.847 -6.014 3.255 1.00 0.00 C ATOM 230 C MET A 19 12.966 -4.596 3.805 1.00 0.00 C ATOM 231 O MET A 19 13.666 -3.756 3.237 1.00 0.00 O ATOM 232 CB MET A 19 11.681 -6.092 2.269 1.00 0.00 C ATOM 233 CG MET A 19 11.548 -7.447 1.590 1.00 0.00 C ATOM 234 SD MET A 19 11.977 -7.395 -0.161 1.00 0.00 S ATOM 235 CE MET A 19 11.068 -8.812 -0.774 1.00 0.00 C ATOM 0 H MET A 19 11.725 -7.377 4.388 1.00 0.00 H new ATOM 0 HA MET A 19 13.772 -6.263 2.735 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.754 -5.867 2.797 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.809 -5.324 1.506 1.00 0.00 H new ATOM 0 HG2 MET A 19 12.191 -8.167 2.096 1.00 0.00 H new ATOM 0 HG3 MET A 19 10.524 -7.804 1.698 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.232 -8.913 -1.847 1.00 0.00 H new ATOM 0 HE2 MET A 19 11.414 -9.713 -0.267 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.004 -8.673 -0.582 1.00 0.00 H new ATOM 245 N LEU A 20 12.280 -4.336 4.913 1.00 0.00 N ATOM 246 CA LEU A 20 12.309 -3.020 5.539 1.00 0.00 C ATOM 247 C LEU A 20 13.674 -2.742 6.162 1.00 0.00 C ATOM 248 O LEU A 20 14.138 -1.602 6.178 1.00 0.00 O ATOM 249 CB LEU A 20 11.218 -2.917 6.607 1.00 0.00 C ATOM 250 CG LEU A 20 9.801 -3.222 6.116 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.841 -3.327 7.290 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.336 -2.155 5.138 1.00 0.00 C ATOM 0 H LEU A 20 11.697 -5.020 5.396 1.00 0.00 H new ATOM 0 HA LEU A 20 12.124 -2.274 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.460 -3.602 7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.233 -1.910 7.024 1.00 0.00 H new ATOM 0 HG LEU A 20 9.814 -4.181 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.838 -3.544 6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.165 -4.128 7.954 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.830 -2.384 7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.327 -2.387 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.338 -1.183 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.009 -2.128 4.281 1.00 0.00 H new ATOM 264 N THR A 21 14.311 -3.790 6.672 1.00 0.00 N ATOM 265 CA THR A 21 15.623 -3.658 7.295 1.00 0.00 C ATOM 266 C THR A 21 16.714 -3.508 6.240 1.00 0.00 C ATOM 267 O THR A 21 17.695 -2.793 6.443 1.00 0.00 O ATOM 268 CB THR A 21 15.915 -4.871 8.179 1.00 0.00 C ATOM 269 OG1 THR A 21 14.755 -5.268 8.887 1.00 0.00 O ATOM 270 CG2 THR A 21 17.010 -4.622 9.194 1.00 0.00 C ATOM 0 H THR A 21 13.940 -4.740 6.666 1.00 0.00 H new ATOM 0 HA THR A 21 15.615 -2.760 7.913 1.00 0.00 H new ATOM 0 HB THR A 21 16.246 -5.653 7.495 1.00 0.00 H new ATOM 0 HG1 THR A 21 14.963 -6.046 9.445 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.167 -5.522 9.788 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.934 -4.363 8.677 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.719 -3.801 9.849 1.00 0.00 H new ATOM 278 N SER A 22 16.536 -4.187 5.111 1.00 0.00 N ATOM 279 CA SER A 22 17.505 -4.130 4.023 1.00 0.00 C ATOM 280 C SER A 22 17.474 -2.768 3.338 1.00 0.00 C ATOM 281 O SER A 22 18.516 -2.156 3.104 1.00 0.00 O ATOM 282 CB SER A 22 17.223 -5.233 3.002 1.00 0.00 C ATOM 283 OG SER A 22 16.872 -6.447 3.644 1.00 0.00 O ATOM 0 H SER A 22 15.729 -4.783 4.926 1.00 0.00 H new ATOM 0 HA SER A 22 18.498 -4.282 4.446 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.415 -4.922 2.340 1.00 0.00 H new ATOM 0 HB3 SER A 22 18.103 -5.389 2.379 1.00 0.00 H new ATOM 0 HG SER A 22 15.905 -6.467 3.800 1.00 0.00 H new ATOM 289 N LEU A 23 16.272 -2.299 3.019 1.00 0.00 N ATOM 290 CA LEU A 23 16.106 -1.008 2.359 1.00 0.00 C ATOM 291 C LEU A 23 16.147 0.131 3.373 1.00 0.00 C ATOM 292 O LEU A 23 16.651 1.214 3.084 1.00 0.00 O ATOM 293 CB LEU A 23 14.785 -0.973 1.587 1.00 0.00 C ATOM 294 CG LEU A 23 14.820 -1.642 0.212 1.00 0.00 C ATOM 295 CD1 LEU A 23 13.431 -2.112 -0.188 1.00 0.00 C ATOM 296 CD2 LEU A 23 15.383 -0.686 -0.829 1.00 0.00 C ATOM 0 H LEU A 23 15.399 -2.793 3.206 1.00 0.00 H new ATOM 0 HA LEU A 23 16.931 -0.877 1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.017 -1.457 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.483 0.067 1.461 1.00 0.00 H new ATOM 0 HG LEU A 23 15.473 -2.513 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.475 -2.585 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.065 -2.830 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.755 -1.258 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.401 -1.177 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.755 0.204 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.396 -0.398 -0.549 1.00 0.00 H new ATOM 308 N GLY A 24 15.611 -0.124 4.562 1.00 0.00 N ATOM 309 CA GLY A 24 15.597 0.890 5.601 1.00 0.00 C ATOM 310 C GLY A 24 14.301 1.675 5.627 1.00 0.00 C ATOM 311 O GLY A 24 14.309 2.893 5.808 1.00 0.00 O ATOM 0 H GLY A 24 15.186 -1.013 4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.750 0.415 6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.430 1.575 5.447 1.00 0.00 H new ATOM 315 N LEU A 25 13.184 0.978 5.445 1.00 0.00 N ATOM 316 CA LEU A 25 11.874 1.619 5.449 1.00 0.00 C ATOM 317 C LEU A 25 11.132 1.329 6.749 1.00 0.00 C ATOM 318 O LEU A 25 11.638 0.621 7.620 1.00 0.00 O ATOM 319 CB LEU A 25 11.044 1.138 4.256 1.00 0.00 C ATOM 320 CG LEU A 25 11.568 1.569 2.886 1.00 0.00 C ATOM 321 CD1 LEU A 25 11.128 0.586 1.812 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.091 2.975 2.552 1.00 0.00 C ATOM 0 H LEU A 25 13.160 -0.030 5.293 1.00 0.00 H new ATOM 0 HA LEU A 25 12.023 2.696 5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.994 0.049 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.025 1.506 4.370 1.00 0.00 H new ATOM 0 HG LEU A 25 12.657 1.574 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.510 0.910 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.519 -0.405 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.039 0.548 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.473 3.266 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.001 2.996 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.456 3.672 3.306 1.00 0.00 H new ATOM 334 N LYS A 26 9.929 1.881 6.875 1.00 0.00 N ATOM 335 CA LYS A 26 9.118 1.682 8.069 1.00 0.00 C ATOM 336 C LYS A 26 7.756 2.352 7.920 1.00 0.00 C ATOM 337 O LYS A 26 7.587 3.262 7.108 1.00 0.00 O ATOM 338 CB LYS A 26 9.839 2.233 9.300 1.00 0.00 C ATOM 339 CG LYS A 26 9.607 1.413 10.560 1.00 0.00 C ATOM 340 CD LYS A 26 10.882 1.263 11.373 1.00 0.00 C ATOM 341 CE LYS A 26 10.837 0.027 12.256 1.00 0.00 C ATOM 342 NZ LYS A 26 10.901 -1.229 11.457 1.00 0.00 N ATOM 0 H LYS A 26 9.495 2.470 6.164 1.00 0.00 H new ATOM 0 HA LYS A 26 8.963 0.611 8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.909 2.275 9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.508 3.256 9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.840 1.891 11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.230 0.427 10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.738 1.201 10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.027 2.149 11.992 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.669 0.053 12.959 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.921 0.036 12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.205 -2.014 12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.961 -1.439 11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.582 -1.112 10.680 1.00 0.00 H new ATOM 356 N LEU A 27 6.788 1.897 8.708 1.00 0.00 N ATOM 357 CA LEU A 27 5.441 2.454 8.664 1.00 0.00 C ATOM 358 C LEU A 27 5.443 3.919 9.088 1.00 0.00 C ATOM 359 O LEU A 27 5.899 4.259 10.181 1.00 0.00 O ATOM 360 CB LEU A 27 4.504 1.650 9.568 1.00 0.00 C ATOM 361 CG LEU A 27 4.492 0.142 9.308 1.00 0.00 C ATOM 362 CD1 LEU A 27 3.810 -0.591 10.454 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.798 -0.164 7.989 1.00 0.00 C ATOM 0 H LEU A 27 6.911 1.144 9.385 1.00 0.00 H new ATOM 0 HA LEU A 27 5.083 2.393 7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.788 1.822 10.606 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.490 2.032 9.448 1.00 0.00 H new ATOM 0 HG LEU A 27 5.523 -0.206 9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.810 -1.662 10.252 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.348 -0.396 11.382 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.782 -0.240 10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.798 -1.241 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.770 0.197 8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.328 0.332 7.176 1.00 0.00 H new ATOM 375 N GLY A 28 4.929 4.783 8.219 1.00 0.00 N ATOM 376 CA GLY A 28 4.880 6.200 8.522 1.00 0.00 C ATOM 377 C GLY A 28 5.991 6.977 7.843 1.00 0.00 C ATOM 378 O GLY A 28 6.433 8.010 8.346 1.00 0.00 O ATOM 0 H GLY A 28 4.545 4.526 7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.916 6.602 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.949 6.340 9.601 1.00 0.00 H new ATOM 382 N ASP A 29 6.445 6.479 6.698 1.00 0.00 N ATOM 383 CA ASP A 29 7.512 7.132 5.948 1.00 0.00 C ATOM 384 C ASP A 29 7.079 7.407 4.512 1.00 0.00 C ATOM 385 O ASP A 29 6.031 6.938 4.068 1.00 0.00 O ATOM 386 CB ASP A 29 8.774 6.267 5.956 1.00 0.00 C ATOM 387 CG ASP A 29 9.710 6.620 7.096 1.00 0.00 C ATOM 388 OD1 ASP A 29 10.217 7.761 7.116 1.00 0.00 O ATOM 389 OD2 ASP A 29 9.934 5.755 7.969 1.00 0.00 O ATOM 0 H ASP A 29 6.090 5.624 6.269 1.00 0.00 H new ATOM 0 HA ASP A 29 7.730 8.084 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.491 5.217 6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.299 6.386 5.008 1.00 0.00 H new ATOM 394 N ARG A 30 7.892 8.171 3.789 1.00 0.00 N ATOM 395 CA ARG A 30 7.593 8.508 2.403 1.00 0.00 C ATOM 396 C ARG A 30 8.269 7.530 1.447 1.00 0.00 C ATOM 397 O ARG A 30 9.484 7.571 1.257 1.00 0.00 O ATOM 398 CB ARG A 30 8.046 9.936 2.095 1.00 0.00 C ATOM 399 CG ARG A 30 7.108 11.003 2.634 1.00 0.00 C ATOM 400 CD ARG A 30 5.795 11.027 1.868 1.00 0.00 C ATOM 401 NE ARG A 30 4.897 12.071 2.355 1.00 0.00 N ATOM 402 CZ ARG A 30 5.020 13.360 2.042 1.00 0.00 C ATOM 403 NH1 ARG A 30 6.000 13.766 1.246 1.00 0.00 N ATOM 404 NH2 ARG A 30 4.160 14.245 2.528 1.00 0.00 N ATOM 0 H ARG A 30 8.763 8.568 4.141 1.00 0.00 H new ATOM 0 HA ARG A 30 6.514 8.438 2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.039 10.092 2.516 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.135 10.055 1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.911 10.817 3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.588 11.979 2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.996 11.187 0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.306 10.057 1.957 1.00 0.00 H new ATOM 0 HE ARG A 30 4.131 11.797 2.971 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.665 13.090 0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.089 14.754 1.010 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.405 13.939 3.141 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.254 15.232 2.289 1.00 0.00 H new ATOM 418 N VAL A 31 7.472 6.651 0.847 1.00 0.00 N ATOM 419 CA VAL A 31 7.992 5.664 -0.090 1.00 0.00 C ATOM 420 C VAL A 31 7.746 6.091 -1.533 1.00 0.00 C ATOM 421 O VAL A 31 7.168 7.148 -1.787 1.00 0.00 O ATOM 422 CB VAL A 31 7.354 4.281 0.140 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.844 3.676 1.446 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.837 4.386 0.128 1.00 0.00 C ATOM 0 H VAL A 31 6.464 6.603 0.994 1.00 0.00 H new ATOM 0 HA VAL A 31 9.065 5.595 0.087 1.00 0.00 H new ATOM 0 HB VAL A 31 7.657 3.622 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.382 2.699 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.928 3.563 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.574 4.331 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.403 3.400 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.513 5.061 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.507 4.772 -0.836 1.00 0.00 H new ATOM 434 N VAL A 32 8.188 5.263 -2.474 1.00 0.00 N ATOM 435 CA VAL A 32 8.015 5.556 -3.892 1.00 0.00 C ATOM 436 C VAL A 32 7.782 4.278 -4.692 1.00 0.00 C ATOM 437 O VAL A 32 8.626 3.381 -4.705 1.00 0.00 O ATOM 438 CB VAL A 32 9.237 6.300 -4.464 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.488 5.442 -4.358 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.986 6.714 -5.908 1.00 0.00 C ATOM 0 H VAL A 32 8.668 4.384 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 32 7.138 6.198 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 32 9.394 7.203 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.339 5.987 -4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.679 5.205 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.344 4.518 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.861 7.238 -6.294 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.798 5.827 -6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.119 7.374 -5.952 1.00 0.00 H new ATOM 450 N ILE A 33 6.635 4.202 -5.357 1.00 0.00 N ATOM 451 CA ILE A 33 6.294 3.033 -6.159 1.00 0.00 C ATOM 452 C ILE A 33 7.065 3.027 -7.475 1.00 0.00 C ATOM 453 O ILE A 33 6.885 3.909 -8.315 1.00 0.00 O ATOM 454 CB ILE A 33 4.783 2.979 -6.462 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.975 3.147 -5.173 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.426 1.669 -7.149 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.610 3.765 -5.393 1.00 0.00 C ATOM 0 H ILE A 33 5.926 4.935 -5.357 1.00 0.00 H new ATOM 0 HA ILE A 33 6.570 2.156 -5.574 1.00 0.00 H new ATOM 0 HB ILE A 33 4.534 3.800 -7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.852 2.172 -4.701 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.539 3.769 -4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.356 1.647 -7.356 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.979 1.587 -8.085 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.687 0.834 -6.499 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.093 3.854 -4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.726 4.754 -5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.028 3.132 -6.063 1.00 0.00 H new ATOM 469 N ALA A 34 7.922 2.028 -7.648 1.00 0.00 N ATOM 470 CA ALA A 34 8.720 1.906 -8.863 1.00 0.00 C ATOM 471 C ALA A 34 9.611 3.129 -9.061 1.00 0.00 C ATOM 472 O ALA A 34 9.968 3.471 -10.188 1.00 0.00 O ATOM 473 CB ALA A 34 7.816 1.708 -10.069 1.00 0.00 C ATOM 0 H ALA A 34 8.083 1.290 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 34 9.365 1.033 -8.759 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.424 1.618 -10.969 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.227 0.800 -9.937 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.147 2.563 -10.167 1.00 0.00 H new ATOM 479 N GLY A 35 9.969 3.782 -7.960 1.00 0.00 N ATOM 480 CA GLY A 35 10.816 4.958 -8.037 1.00 0.00 C ATOM 481 C GLY A 35 10.219 6.049 -8.904 1.00 0.00 C ATOM 482 O GLY A 35 10.946 6.807 -9.549 1.00 0.00 O ATOM 0 H GLY A 35 9.688 3.518 -7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.983 5.347 -7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.790 4.674 -8.435 1.00 0.00 H new ATOM 486 N GLN A 36 8.893 6.132 -8.920 1.00 0.00 N ATOM 487 CA GLN A 36 8.200 7.140 -9.713 1.00 0.00 C ATOM 488 C GLN A 36 7.095 7.807 -8.899 1.00 0.00 C ATOM 489 O GLN A 36 7.181 8.990 -8.568 1.00 0.00 O ATOM 490 CB GLN A 36 7.611 6.508 -10.977 1.00 0.00 C ATOM 491 CG GLN A 36 8.410 6.807 -12.235 1.00 0.00 C ATOM 492 CD GLN A 36 8.473 5.624 -13.181 1.00 0.00 C ATOM 493 OE1 GLN A 36 7.607 4.749 -13.159 1.00 0.00 O ATOM 494 NE2 GLN A 36 9.502 5.591 -14.020 1.00 0.00 N ATOM 0 H GLN A 36 8.277 5.513 -8.393 1.00 0.00 H new ATOM 0 HA GLN A 36 8.924 7.902 -10.001 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.554 5.428 -10.841 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.590 6.867 -11.111 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.963 7.657 -12.751 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.423 7.099 -11.957 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.197 6.337 -14.004 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.597 4.819 -14.680 1.00 0.00 H new ATOM 503 N LYS A 37 6.057 7.041 -8.580 1.00 0.00 N ATOM 504 CA LYS A 37 4.934 7.558 -7.805 1.00 0.00 C ATOM 505 C LYS A 37 5.366 7.892 -6.381 1.00 0.00 C ATOM 506 O LYS A 37 6.162 7.173 -5.777 1.00 0.00 O ATOM 507 CB LYS A 37 3.793 6.539 -7.778 1.00 0.00 C ATOM 508 CG LYS A 37 3.457 5.964 -9.145 1.00 0.00 C ATOM 509 CD LYS A 37 2.228 5.071 -9.087 1.00 0.00 C ATOM 510 CE LYS A 37 0.983 5.862 -8.721 1.00 0.00 C ATOM 511 NZ LYS A 37 -0.255 5.048 -8.871 1.00 0.00 N ATOM 0 H LYS A 37 5.970 6.060 -8.846 1.00 0.00 H new ATOM 0 HA LYS A 37 4.584 8.472 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.061 5.724 -7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.903 7.013 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.284 6.777 -9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.306 5.392 -9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.082 4.587 -10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.386 4.279 -8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.065 6.212 -7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.915 6.746 -9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.030 5.493 -8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.513 4.991 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.087 4.090 -8.502 1.00 0.00 H new ATOM 525 N VAL A 38 4.835 8.988 -5.848 1.00 0.00 N ATOM 526 CA VAL A 38 5.164 9.417 -4.495 1.00 0.00 C ATOM 527 C VAL A 38 3.982 9.215 -3.553 1.00 0.00 C ATOM 528 O VAL A 38 2.854 9.597 -3.864 1.00 0.00 O ATOM 529 CB VAL A 38 5.584 10.899 -4.462 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.108 11.276 -3.085 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.626 11.182 -5.534 1.00 0.00 C ATOM 0 H VAL A 38 4.175 9.595 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 38 6.001 8.802 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 38 4.707 11.511 -4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.400 12.326 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.327 11.114 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.973 10.659 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.911 12.233 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.505 10.561 -5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.210 10.954 -6.515 1.00 0.00 H new ATOM 541 N GLY A 39 4.249 8.613 -2.398 1.00 0.00 N ATOM 542 CA GLY A 39 3.197 8.372 -1.428 1.00 0.00 C ATOM 543 C GLY A 39 3.740 8.069 -0.045 1.00 0.00 C ATOM 544 O GLY A 39 4.951 8.099 0.174 1.00 0.00 O ATOM 0 H GLY A 39 5.174 8.288 -2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.548 9.246 -1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.582 7.537 -1.764 1.00 0.00 H new ATOM 548 N THR A 40 2.841 7.777 0.889 1.00 0.00 N ATOM 549 CA THR A 40 3.236 7.468 2.259 1.00 0.00 C ATOM 550 C THR A 40 2.880 6.028 2.616 1.00 0.00 C ATOM 551 O THR A 40 1.706 5.663 2.673 1.00 0.00 O ATOM 552 CB THR A 40 2.556 8.429 3.236 1.00 0.00 C ATOM 553 OG1 THR A 40 2.193 9.633 2.583 1.00 0.00 O ATOM 554 CG2 THR A 40 3.426 8.794 4.419 1.00 0.00 C ATOM 0 H THR A 40 1.835 7.748 0.723 1.00 0.00 H new ATOM 0 HA THR A 40 4.317 7.586 2.335 1.00 0.00 H new ATOM 0 HB THR A 40 1.678 7.897 3.601 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.758 10.234 3.223 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.884 9.478 5.072 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.684 7.891 4.973 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.337 9.276 4.065 1.00 0.00 H new ATOM 562 N LEU A 41 3.903 5.213 2.855 1.00 0.00 N ATOM 563 CA LEU A 41 3.698 3.813 3.206 1.00 0.00 C ATOM 564 C LEU A 41 2.911 3.689 4.507 1.00 0.00 C ATOM 565 O LEU A 41 3.277 4.278 5.524 1.00 0.00 O ATOM 566 CB LEU A 41 5.043 3.096 3.340 1.00 0.00 C ATOM 567 CG LEU A 41 4.954 1.615 3.710 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.379 0.810 2.554 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.321 1.081 4.106 1.00 0.00 C ATOM 0 H LEU A 41 4.881 5.498 2.812 1.00 0.00 H new ATOM 0 HA LEU A 41 3.123 3.344 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.581 3.187 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.637 3.609 4.097 1.00 0.00 H new ATOM 0 HG LEU A 41 4.286 1.513 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.323 -0.242 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.380 1.176 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.022 0.918 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.238 0.026 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.012 1.196 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.694 1.638 4.965 1.00 0.00 H new ATOM 581 N ARG A 42 1.829 2.917 4.466 1.00 0.00 N ATOM 582 CA ARG A 42 0.990 2.714 5.642 1.00 0.00 C ATOM 583 C ARG A 42 1.020 1.256 6.087 1.00 0.00 C ATOM 584 O ARG A 42 1.215 0.960 7.265 1.00 0.00 O ATOM 585 CB ARG A 42 -0.449 3.139 5.347 1.00 0.00 C ATOM 586 CG ARG A 42 -0.565 4.554 4.803 1.00 0.00 C ATOM 587 CD ARG A 42 -0.182 5.587 5.850 1.00 0.00 C ATOM 588 NE ARG A 42 -0.830 6.874 5.613 1.00 0.00 N ATOM 589 CZ ARG A 42 -0.831 7.877 6.489 1.00 0.00 C ATOM 590 NH1 ARG A 42 -0.219 7.744 7.660 1.00 0.00 N ATOM 591 NH2 ARG A 42 -1.445 9.014 6.193 1.00 0.00 N ATOM 0 H ARG A 42 1.513 2.422 3.632 1.00 0.00 H new ATOM 0 HA ARG A 42 1.385 3.330 6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.884 2.445 4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.037 3.061 6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.079 4.663 3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.587 4.734 4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.457 5.220 6.839 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.900 5.720 5.849 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.310 7.013 4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.255 6.871 7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.222 8.515 8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.916 9.120 5.295 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.446 9.783 6.864 1.00 0.00 H new ATOM 605 N PHE A 43 0.827 0.348 5.135 1.00 0.00 N ATOM 606 CA PHE A 43 0.832 -1.080 5.426 1.00 0.00 C ATOM 607 C PHE A 43 1.794 -1.820 4.503 1.00 0.00 C ATOM 608 O PHE A 43 2.017 -1.409 3.364 1.00 0.00 O ATOM 609 CB PHE A 43 -0.578 -1.656 5.282 1.00 0.00 C ATOM 610 CG PHE A 43 -0.665 -3.121 5.609 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.264 -3.592 6.849 1.00 0.00 C ATOM 612 CD2 PHE A 43 -1.148 -4.024 4.676 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.344 -4.938 7.151 1.00 0.00 C ATOM 614 CE2 PHE A 43 -1.231 -5.371 4.973 1.00 0.00 C ATOM 615 CZ PHE A 43 -0.828 -5.828 6.213 1.00 0.00 C ATOM 0 H PHE A 43 0.665 0.577 4.154 1.00 0.00 H new ATOM 0 HA PHE A 43 1.168 -1.215 6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.255 -1.105 5.935 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.923 -1.499 4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.115 -2.900 7.587 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.463 -3.671 3.705 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.028 -5.294 8.121 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.610 -6.065 4.237 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.892 -6.880 6.448 1.00 0.00 H new ATOM 625 N CYS A 44 2.364 -2.912 5.002 1.00 0.00 N ATOM 626 CA CYS A 44 3.302 -3.711 4.221 1.00 0.00 C ATOM 627 C CYS A 44 3.123 -5.198 4.508 1.00 0.00 C ATOM 628 O CYS A 44 2.821 -5.591 5.635 1.00 0.00 O ATOM 629 CB CYS A 44 4.740 -3.290 4.529 1.00 0.00 C ATOM 630 SG CYS A 44 5.155 -3.310 6.289 1.00 0.00 S ATOM 0 H CYS A 44 2.193 -3.264 5.944 1.00 0.00 H new ATOM 0 HA CYS A 44 3.097 -3.537 3.165 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.423 -3.953 3.998 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.904 -2.285 4.139 1.00 0.00 H new ATOM 0 HG CYS A 44 4.441 -4.213 6.893 1.00 0.00 H new ATOM 636 N GLY A 45 3.311 -6.020 3.480 1.00 0.00 N ATOM 637 CA GLY A 45 3.166 -7.454 3.643 1.00 0.00 C ATOM 638 C GLY A 45 2.342 -8.083 2.536 1.00 0.00 C ATOM 639 O GLY A 45 2.353 -7.610 1.400 1.00 0.00 O ATOM 0 H GLY A 45 3.561 -5.718 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.153 -7.916 3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.696 -7.662 4.604 1.00 0.00 H new ATOM 643 N THR A 46 1.625 -9.151 2.868 1.00 0.00 N ATOM 644 CA THR A 46 0.792 -9.845 1.894 1.00 0.00 C ATOM 645 C THR A 46 -0.638 -9.313 1.923 1.00 0.00 C ATOM 646 O THR A 46 -1.100 -8.802 2.944 1.00 0.00 O ATOM 647 CB THR A 46 0.793 -11.350 2.169 1.00 0.00 C ATOM 648 OG1 THR A 46 0.624 -11.607 3.552 1.00 0.00 O ATOM 649 CG2 THR A 46 2.067 -12.037 1.727 1.00 0.00 C ATOM 0 H THR A 46 1.604 -9.555 3.804 1.00 0.00 H new ATOM 0 HA THR A 46 1.209 -9.663 0.903 1.00 0.00 H new ATOM 0 HB THR A 46 -0.038 -11.751 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.626 -12.575 3.708 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.003 -13.102 1.951 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.201 -11.899 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.916 -11.606 2.257 1.00 0.00 H new ATOM 657 N THR A 47 -1.334 -9.437 0.798 1.00 0.00 N ATOM 658 CA THR A 47 -2.711 -8.969 0.696 1.00 0.00 C ATOM 659 C THR A 47 -3.686 -10.141 0.699 1.00 0.00 C ATOM 660 O THR A 47 -3.280 -11.300 0.798 1.00 0.00 O ATOM 661 CB THR A 47 -2.897 -8.140 -0.576 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.236 -8.746 -1.672 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.374 -6.725 -0.450 1.00 0.00 C ATOM 0 H THR A 47 -0.967 -9.858 -0.056 1.00 0.00 H new ATOM 0 HA THR A 47 -2.920 -8.343 1.564 1.00 0.00 H new ATOM 0 HB THR A 47 -3.974 -8.099 -0.738 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.439 -8.224 -1.903 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.537 -6.192 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.901 -6.213 0.355 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.307 -6.750 -0.228 1.00 0.00 H new ATOM 671 N GLU A 48 -4.974 -9.834 0.592 1.00 0.00 N ATOM 672 CA GLU A 48 -6.009 -10.862 0.583 1.00 0.00 C ATOM 673 C GLU A 48 -6.753 -10.873 -0.748 1.00 0.00 C ATOM 674 O GLU A 48 -7.943 -11.185 -0.802 1.00 0.00 O ATOM 675 CB GLU A 48 -6.993 -10.635 1.730 1.00 0.00 C ATOM 676 CG GLU A 48 -6.333 -10.582 3.098 1.00 0.00 C ATOM 677 CD GLU A 48 -5.912 -11.951 3.595 1.00 0.00 C ATOM 678 OE1 GLU A 48 -6.562 -12.947 3.213 1.00 0.00 O ATOM 679 OE2 GLU A 48 -4.933 -12.027 4.367 1.00 0.00 O ATOM 0 H GLU A 48 -5.327 -8.880 0.510 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.526 -11.830 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.529 -9.701 1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.735 -11.434 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.459 -9.932 3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.024 -10.136 3.814 1.00 0.00 H new ATOM 686 N PHE A 49 -6.046 -10.532 -1.819 1.00 0.00 N ATOM 687 CA PHE A 49 -6.640 -10.502 -3.151 1.00 0.00 C ATOM 688 C PHE A 49 -5.593 -10.796 -4.221 1.00 0.00 C ATOM 689 O PHE A 49 -5.820 -11.605 -5.120 1.00 0.00 O ATOM 690 CB PHE A 49 -7.287 -9.141 -3.414 1.00 0.00 C ATOM 691 CG PHE A 49 -6.340 -7.986 -3.255 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.597 -7.529 -4.331 1.00 0.00 C ATOM 693 CD2 PHE A 49 -6.195 -7.357 -2.029 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.726 -6.465 -4.187 1.00 0.00 C ATOM 695 CE2 PHE A 49 -5.325 -6.294 -1.879 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.590 -5.848 -2.959 1.00 0.00 C ATOM 0 H PHE A 49 -5.060 -10.272 -1.791 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.407 -11.275 -3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.694 -9.130 -4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.126 -9.009 -2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.699 -8.009 -5.293 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.768 -7.701 -1.181 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.153 -6.117 -5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.220 -5.813 -0.918 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.909 -5.017 -2.844 1.00 0.00 H new ATOM 706 N ALA A 50 -4.445 -10.133 -4.116 1.00 0.00 N ATOM 707 CA ALA A 50 -3.364 -10.323 -5.074 1.00 0.00 C ATOM 708 C ALA A 50 -2.235 -11.151 -4.470 1.00 0.00 C ATOM 709 O ALA A 50 -1.739 -10.845 -3.386 1.00 0.00 O ATOM 710 CB ALA A 50 -2.837 -8.977 -5.549 1.00 0.00 C ATOM 0 H ALA A 50 -4.241 -9.460 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.762 -10.868 -5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.030 -9.134 -6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.642 -8.419 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.461 -8.412 -4.696 1.00 0.00 H new ATOM 716 N SER A 51 -1.833 -12.202 -5.178 1.00 0.00 N ATOM 717 CA SER A 51 -0.763 -13.075 -4.711 1.00 0.00 C ATOM 718 C SER A 51 0.589 -12.375 -4.807 1.00 0.00 C ATOM 719 O SER A 51 0.976 -11.894 -5.873 1.00 0.00 O ATOM 720 CB SER A 51 -0.740 -14.371 -5.525 1.00 0.00 C ATOM 721 OG SER A 51 -1.390 -15.421 -4.830 1.00 0.00 O ATOM 0 H SER A 51 -2.233 -12.469 -6.078 1.00 0.00 H new ATOM 0 HA SER A 51 -0.954 -13.316 -3.665 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.229 -14.209 -6.486 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.291 -14.654 -5.736 1.00 0.00 H new ATOM 0 HG SER A 51 -1.363 -16.237 -5.371 1.00 0.00 H new ATOM 727 N GLY A 52 1.303 -12.321 -3.687 1.00 0.00 N ATOM 728 CA GLY A 52 2.604 -11.678 -3.665 1.00 0.00 C ATOM 729 C GLY A 52 2.736 -10.674 -2.537 1.00 0.00 C ATOM 730 O GLY A 52 1.854 -10.568 -1.685 1.00 0.00 O ATOM 0 H GLY A 52 1.003 -12.711 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.379 -12.437 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.773 -11.175 -4.617 1.00 0.00 H new ATOM 734 N GLN A 53 3.840 -9.934 -2.532 1.00 0.00 N ATOM 735 CA GLN A 53 4.085 -8.933 -1.500 1.00 0.00 C ATOM 736 C GLN A 53 3.569 -7.566 -1.936 1.00 0.00 C ATOM 737 O GLN A 53 3.942 -7.059 -2.994 1.00 0.00 O ATOM 738 CB GLN A 53 5.579 -8.851 -1.184 1.00 0.00 C ATOM 739 CG GLN A 53 5.880 -8.242 0.177 1.00 0.00 C ATOM 740 CD GLN A 53 6.088 -9.292 1.251 1.00 0.00 C ATOM 741 OE1 GLN A 53 7.219 -9.581 1.641 1.00 0.00 O ATOM 742 NE2 GLN A 53 4.995 -9.869 1.735 1.00 0.00 N ATOM 0 H GLN A 53 4.579 -10.009 -3.231 1.00 0.00 H new ATOM 0 HA GLN A 53 3.547 -9.234 -0.601 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.007 -9.853 -1.227 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.073 -8.260 -1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.772 -7.620 0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.059 -7.587 0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.077 -9.599 1.382 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.073 -10.583 2.459 1.00 0.00 H new ATOM 751 N TRP A 54 2.710 -6.973 -1.113 1.00 0.00 N ATOM 752 CA TRP A 54 2.143 -5.664 -1.413 1.00 0.00 C ATOM 753 C TRP A 54 2.264 -4.732 -0.211 1.00 0.00 C ATOM 754 O TRP A 54 2.723 -5.135 0.857 1.00 0.00 O ATOM 755 CB TRP A 54 0.676 -5.800 -1.821 1.00 0.00 C ATOM 756 CG TRP A 54 0.483 -6.564 -3.096 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.425 -7.921 -3.236 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.324 -6.016 -4.408 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.239 -8.250 -4.556 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.174 -7.099 -5.297 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.293 -4.716 -4.921 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.004 -6.919 -6.666 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.117 -4.539 -6.280 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.031 -5.636 -7.139 1.00 0.00 C ATOM 0 H TRP A 54 2.392 -7.379 -0.233 1.00 0.00 H new ATOM 0 HA TRP A 54 2.704 -5.234 -2.243 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.128 -6.298 -1.021 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.244 -4.806 -1.932 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.513 -8.631 -2.427 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.162 -9.198 -4.925 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.405 -3.864 -4.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.117 -7.763 -7.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.093 -3.539 -6.687 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.169 -5.465 -8.196 1.00 0.00 H new ATOM 775 N ALA A 55 1.849 -3.482 -0.394 1.00 0.00 N ATOM 776 CA ALA A 55 1.911 -2.493 0.676 1.00 0.00 C ATOM 777 C ALA A 55 0.955 -1.336 0.408 1.00 0.00 C ATOM 778 O ALA A 55 0.914 -0.792 -0.696 1.00 0.00 O ATOM 779 CB ALA A 55 3.334 -1.981 0.837 1.00 0.00 C ATOM 0 H ALA A 55 1.467 -3.131 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 55 1.604 -2.975 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.367 -1.243 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.994 -2.813 1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.662 -1.519 -0.094 1.00 0.00 H new ATOM 785 N GLY A 56 0.188 -0.962 1.427 1.00 0.00 N ATOM 786 CA GLY A 56 -0.758 0.129 1.282 1.00 0.00 C ATOM 787 C GLY A 56 -0.086 1.488 1.323 1.00 0.00 C ATOM 788 O GLY A 56 0.586 1.827 2.298 1.00 0.00 O ATOM 0 H GLY A 56 0.205 -1.395 2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.292 0.020 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.501 0.070 2.078 1.00 0.00 H new ATOM 792 N ILE A 57 -0.266 2.267 0.262 1.00 0.00 N ATOM 793 CA ILE A 57 0.328 3.597 0.181 1.00 0.00 C ATOM 794 C ILE A 57 -0.730 4.654 -0.113 1.00 0.00 C ATOM 795 O ILE A 57 -1.635 4.435 -0.919 1.00 0.00 O ATOM 796 CB ILE A 57 1.416 3.660 -0.910 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.373 2.475 -0.776 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.177 4.975 -0.823 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.329 2.337 -1.942 1.00 0.00 C ATOM 0 H ILE A 57 -0.818 2.001 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 57 0.782 3.801 1.151 1.00 0.00 H new ATOM 0 HB ILE A 57 0.934 3.605 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.947 2.584 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.792 1.558 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.942 5.005 -1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.485 5.806 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.650 5.058 0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.978 1.476 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.762 2.196 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.936 3.239 -2.024 1.00 0.00 H new ATOM 811 N GLU A 58 -0.610 5.802 0.546 1.00 0.00 N ATOM 812 CA GLU A 58 -1.557 6.895 0.355 1.00 0.00 C ATOM 813 C GLU A 58 -0.912 8.046 -0.412 1.00 0.00 C ATOM 814 O GLU A 58 -0.031 8.733 0.105 1.00 0.00 O ATOM 815 CB GLU A 58 -2.072 7.393 1.706 1.00 0.00 C ATOM 816 CG GLU A 58 -3.526 7.838 1.677 1.00 0.00 C ATOM 817 CD GLU A 58 -3.763 9.107 2.471 1.00 0.00 C ATOM 818 OE1 GLU A 58 -3.342 9.160 3.647 1.00 0.00 O ATOM 819 OE2 GLU A 58 -4.370 10.050 1.920 1.00 0.00 O ATOM 0 H GLU A 58 0.133 6.000 1.216 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.396 6.518 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.959 6.599 2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.452 8.226 2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.833 7.998 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.154 7.041 2.076 1.00 0.00 H new ATOM 826 N LEU A 59 -1.358 8.250 -1.647 1.00 0.00 N ATOM 827 CA LEU A 59 -0.823 9.318 -2.485 1.00 0.00 C ATOM 828 C LEU A 59 -1.171 10.687 -1.911 1.00 0.00 C ATOM 829 O LEU A 59 -2.207 10.856 -1.268 1.00 0.00 O ATOM 830 CB LEU A 59 -1.368 9.196 -3.910 1.00 0.00 C ATOM 831 CG LEU A 59 -1.003 7.900 -4.634 1.00 0.00 C ATOM 832 CD1 LEU A 59 -2.037 7.575 -5.701 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.384 8.006 -5.249 1.00 0.00 C ATOM 0 H LEU A 59 -2.087 7.691 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 59 0.262 9.220 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.454 9.282 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.000 10.038 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.995 7.089 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.760 6.649 -6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.015 7.456 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.077 8.386 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.627 7.075 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.403 8.828 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.117 8.191 -4.464 1.00 0.00 H new ATOM 845 N ASP A 60 -0.298 11.660 -2.147 1.00 0.00 N ATOM 846 CA ASP A 60 -0.514 13.016 -1.653 1.00 0.00 C ATOM 847 C ASP A 60 -1.649 13.695 -2.410 1.00 0.00 C ATOM 848 O ASP A 60 -2.368 14.528 -1.856 1.00 0.00 O ATOM 849 CB ASP A 60 0.768 13.839 -1.786 1.00 0.00 C ATOM 850 CG ASP A 60 1.984 13.108 -1.249 1.00 0.00 C ATOM 851 OD1 ASP A 60 2.348 12.060 -1.822 1.00 0.00 O ATOM 852 OD2 ASP A 60 2.571 13.584 -0.254 1.00 0.00 O ATOM 0 H ASP A 60 0.565 11.536 -2.676 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.790 12.954 -0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.930 14.086 -2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.649 14.781 -1.251 1.00 0.00 H new ATOM 857 N GLU A 61 -1.805 13.336 -3.680 1.00 0.00 N ATOM 858 CA GLU A 61 -2.854 13.911 -4.516 1.00 0.00 C ATOM 859 C GLU A 61 -3.863 12.844 -4.932 1.00 0.00 C ATOM 860 O GLU A 61 -3.549 11.655 -4.951 1.00 0.00 O ATOM 861 CB GLU A 61 -2.244 14.565 -5.757 1.00 0.00 C ATOM 862 CG GLU A 61 -1.486 15.848 -5.457 1.00 0.00 C ATOM 863 CD GLU A 61 -0.546 16.244 -6.579 1.00 0.00 C ATOM 864 OE1 GLU A 61 -1.027 16.447 -7.713 1.00 0.00 O ATOM 865 OE2 GLU A 61 0.672 16.352 -6.323 1.00 0.00 O ATOM 0 H GLU A 61 -1.218 12.649 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.375 14.670 -3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.568 13.857 -6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.038 14.780 -6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.198 16.654 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.915 15.722 -4.537 1.00 0.00 H new ATOM 872 N PRO A 62 -5.096 13.259 -5.272 1.00 0.00 N ATOM 873 CA PRO A 62 -6.153 12.331 -5.690 1.00 0.00 C ATOM 874 C PRO A 62 -5.821 11.630 -7.003 1.00 0.00 C ATOM 875 O PRO A 62 -6.142 12.128 -8.083 1.00 0.00 O ATOM 876 CB PRO A 62 -7.380 13.232 -5.861 1.00 0.00 C ATOM 877 CG PRO A 62 -6.826 14.599 -6.076 1.00 0.00 C ATOM 878 CD PRO A 62 -5.556 14.659 -5.277 1.00 0.00 C ATOM 0 HA PRO A 62 -6.297 11.529 -4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.988 12.915 -6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.020 13.199 -4.979 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.631 14.780 -7.133 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.531 15.362 -5.747 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.823 15.322 -5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.733 15.029 -4.267 1.00 0.00 H new ATOM 886 N GLU A 63 -5.177 10.472 -6.903 1.00 0.00 N ATOM 887 CA GLU A 63 -4.801 9.702 -8.083 1.00 0.00 C ATOM 888 C GLU A 63 -4.772 8.208 -7.771 1.00 0.00 C ATOM 889 O GLU A 63 -3.993 7.457 -8.358 1.00 0.00 O ATOM 890 CB GLU A 63 -3.433 10.154 -8.598 1.00 0.00 C ATOM 891 CG GLU A 63 -3.497 11.374 -9.502 1.00 0.00 C ATOM 892 CD GLU A 63 -2.126 11.828 -9.965 1.00 0.00 C ATOM 893 OE1 GLU A 63 -1.319 12.248 -9.109 1.00 0.00 O ATOM 894 OE2 GLU A 63 -1.859 11.763 -11.183 1.00 0.00 O ATOM 0 H GLU A 63 -4.905 10.046 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.549 9.879 -8.856 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.789 10.376 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.969 9.332 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.113 11.146 -10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.986 12.190 -8.971 1.00 0.00 H new ATOM 901 N GLY A 64 -5.624 7.786 -6.844 1.00 0.00 N ATOM 902 CA GLY A 64 -5.680 6.384 -6.470 1.00 0.00 C ATOM 903 C GLY A 64 -7.000 5.738 -6.841 1.00 0.00 C ATOM 904 O GLY A 64 -7.844 6.358 -7.488 1.00 0.00 O ATOM 0 H GLY A 64 -6.277 8.389 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.866 5.848 -6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.523 6.291 -5.395 1.00 0.00 H new ATOM 908 N LYS A 65 -7.180 4.486 -6.430 1.00 0.00 N ATOM 909 CA LYS A 65 -8.407 3.754 -6.723 1.00 0.00 C ATOM 910 C LYS A 65 -8.859 2.939 -5.514 1.00 0.00 C ATOM 911 O LYS A 65 -9.496 1.897 -5.660 1.00 0.00 O ATOM 912 CB LYS A 65 -8.200 2.831 -7.925 1.00 0.00 C ATOM 913 CG LYS A 65 -8.327 3.540 -9.265 1.00 0.00 C ATOM 914 CD LYS A 65 -9.550 3.065 -10.036 1.00 0.00 C ATOM 915 CE LYS A 65 -9.262 2.957 -11.524 1.00 0.00 C ATOM 916 NZ LYS A 65 -10.237 2.070 -12.216 1.00 0.00 N ATOM 0 H LYS A 65 -6.492 3.958 -5.893 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.185 4.480 -6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.212 2.375 -7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.929 2.022 -7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.393 4.616 -9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.430 3.362 -9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.868 2.095 -9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.376 3.758 -9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.293 3.950 -11.973 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.253 2.572 -11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.006 2.023 -13.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.190 1.116 -11.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.198 2.451 -12.098 1.00 0.00 H new ATOM 930 N ASN A 66 -8.525 3.422 -4.321 1.00 0.00 N ATOM 931 CA ASN A 66 -8.898 2.738 -3.089 1.00 0.00 C ATOM 932 C ASN A 66 -9.177 3.739 -1.973 1.00 0.00 C ATOM 933 O ASN A 66 -8.681 4.865 -1.997 1.00 0.00 O ATOM 934 CB ASN A 66 -7.789 1.774 -2.660 1.00 0.00 C ATOM 935 CG ASN A 66 -7.740 0.529 -3.524 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.548 -0.385 -3.363 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.786 0.488 -4.448 1.00 0.00 N ATOM 0 H ASN A 66 -7.997 4.284 -4.182 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.809 2.171 -3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.828 2.285 -2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.944 1.486 -1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.702 -0.324 -5.059 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.137 1.269 -4.546 1.00 0.00 H new ATOM 944 N ASN A 67 -9.977 3.322 -0.997 1.00 0.00 N ATOM 945 CA ASN A 67 -10.323 4.183 0.129 1.00 0.00 C ATOM 946 C ASN A 67 -9.765 3.624 1.434 1.00 0.00 C ATOM 947 O ASN A 67 -10.349 3.813 2.501 1.00 0.00 O ATOM 948 CB ASN A 67 -11.842 4.333 0.234 1.00 0.00 C ATOM 949 CG ASN A 67 -12.542 3.002 0.426 1.00 0.00 C ATOM 950 OD1 ASN A 67 -11.953 2.044 0.927 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.808 2.936 0.029 1.00 0.00 N ATOM 0 H ASN A 67 -10.398 2.394 -0.963 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.878 5.163 -0.045 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.083 4.991 1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.220 4.813 -0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.331 2.067 0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.257 3.755 -0.381 1.00 0.00 H new ATOM 958 N GLY A 68 -8.631 2.936 1.341 1.00 0.00 N ATOM 959 CA GLY A 68 -8.014 2.362 2.522 1.00 0.00 C ATOM 960 C GLY A 68 -8.260 0.871 2.638 1.00 0.00 C ATOM 961 O GLY A 68 -7.388 0.123 3.081 1.00 0.00 O ATOM 0 H GLY A 68 -8.129 2.766 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.940 2.549 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.402 2.861 3.410 1.00 0.00 H new ATOM 965 N SER A 69 -9.452 0.437 2.240 1.00 0.00 N ATOM 966 CA SER A 69 -9.811 -0.975 2.302 1.00 0.00 C ATOM 967 C SER A 69 -10.015 -1.546 0.902 1.00 0.00 C ATOM 968 O SER A 69 -10.248 -0.805 -0.054 1.00 0.00 O ATOM 969 CB SER A 69 -11.082 -1.164 3.132 1.00 0.00 C ATOM 970 OG SER A 69 -12.074 -0.219 2.770 1.00 0.00 O ATOM 0 H SER A 69 -10.185 1.043 1.871 1.00 0.00 H new ATOM 0 HA SER A 69 -8.991 -1.512 2.779 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.467 -2.173 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.847 -1.061 4.191 1.00 0.00 H new ATOM 0 HG SER A 69 -11.757 0.314 2.011 1.00 0.00 H new ATOM 976 N VAL A 70 -9.927 -2.867 0.788 1.00 0.00 N ATOM 977 CA VAL A 70 -10.102 -3.537 -0.495 1.00 0.00 C ATOM 978 C VAL A 70 -11.041 -4.732 -0.368 1.00 0.00 C ATOM 979 O VAL A 70 -10.724 -5.714 0.302 1.00 0.00 O ATOM 980 CB VAL A 70 -8.754 -4.017 -1.067 1.00 0.00 C ATOM 981 CG1 VAL A 70 -8.930 -4.531 -2.488 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.726 -2.897 -1.021 1.00 0.00 C ATOM 0 H VAL A 70 -9.735 -3.495 1.569 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.538 -2.806 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.390 -4.839 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.968 -4.866 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.632 -5.365 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.317 -3.731 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.780 -3.254 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.081 -2.053 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.579 -2.580 0.012 1.00 0.00 H new ATOM 992 N GLY A 71 -12.198 -4.640 -1.017 1.00 0.00 N ATOM 993 CA GLY A 71 -13.164 -5.720 -0.962 1.00 0.00 C ATOM 994 C GLY A 71 -13.742 -5.913 0.426 1.00 0.00 C ATOM 995 O GLY A 71 -14.286 -4.978 1.013 1.00 0.00 O ATOM 0 H GLY A 71 -12.483 -3.838 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.973 -5.515 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.688 -6.646 -1.286 1.00 0.00 H new ATOM 999 N ARG A 72 -13.624 -7.127 0.951 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.139 -7.440 2.278 1.00 0.00 C ATOM 1001 C ARG A 72 -13.013 -7.458 3.309 1.00 0.00 C ATOM 1002 O ARG A 72 -13.076 -8.186 4.299 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.861 -8.790 2.263 1.00 0.00 C ATOM 1004 CG ARG A 72 -16.347 -8.689 2.561 1.00 0.00 C ATOM 1005 CD ARG A 72 -16.882 -9.971 3.178 1.00 0.00 C ATOM 1006 NE ARG A 72 -18.177 -9.771 3.823 1.00 0.00 N ATOM 1007 CZ ARG A 72 -18.708 -10.621 4.700 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -18.061 -11.729 5.036 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -19.891 -10.362 5.240 1.00 0.00 N ATOM 0 H ARG A 72 -13.176 -7.911 0.477 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.849 -6.662 2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.726 -9.254 1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.396 -9.449 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.527 -7.855 3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.890 -8.473 1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.976 -10.733 2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.167 -10.347 3.910 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.706 -8.931 3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.152 -11.934 4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -18.473 -12.376 5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.394 -9.512 4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.298 -11.013 5.912 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.984 -6.652 3.068 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.846 -6.576 3.975 1.00 0.00 C ATOM 1025 C VAL A 73 -10.352 -5.139 4.118 1.00 0.00 C ATOM 1026 O VAL A 73 -10.276 -4.399 3.138 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.681 -7.460 3.491 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.586 -7.526 4.543 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -10.180 -8.855 3.141 1.00 0.00 C ATOM 0 H VAL A 73 -11.915 -6.043 2.253 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.190 -6.939 4.944 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.259 -7.013 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.772 -8.155 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.209 -6.522 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.990 -7.948 5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.344 -9.466 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.629 -9.313 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.925 -8.787 2.348 1.00 0.00 H new ATOM 1039 N GLN A 74 -10.017 -4.753 5.345 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.531 -3.406 5.616 1.00 0.00 C ATOM 1041 C GLN A 74 -8.041 -3.420 5.943 1.00 0.00 C ATOM 1042 O GLN A 74 -7.558 -4.308 6.646 1.00 0.00 O ATOM 1043 CB GLN A 74 -10.313 -2.782 6.773 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.893 -1.356 7.091 1.00 0.00 C ATOM 1045 CD GLN A 74 -10.898 -0.329 6.606 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -12.096 -0.605 6.528 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -10.414 0.863 6.275 1.00 0.00 N ATOM 0 H GLN A 74 -10.073 -5.354 6.167 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.682 -2.805 4.719 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.376 -2.794 6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.182 -3.398 7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.763 -1.251 8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.925 -1.156 6.632 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.414 1.048 6.355 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.042 1.594 5.940 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.318 -2.430 5.430 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.883 -2.328 5.666 1.00 0.00 C ATOM 1058 C TYR A 75 -5.539 -1.019 6.372 1.00 0.00 C ATOM 1059 O TYR A 75 -5.051 -1.021 7.502 1.00 0.00 O ATOM 1060 CB TYR A 75 -5.118 -2.426 4.345 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.540 -3.596 3.486 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.762 -3.591 2.824 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.717 -4.704 3.335 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -7.151 -4.659 2.038 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -5.099 -5.775 2.550 1.00 0.00 C ATOM 1066 CZ TYR A 75 -6.316 -5.747 1.903 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.701 -6.813 1.121 1.00 0.00 O ATOM 0 H TYR A 75 -7.703 -1.686 4.848 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.587 -3.156 6.310 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.261 -1.503 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.052 -2.508 4.557 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.418 -2.739 2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.762 -4.729 3.839 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -8.105 -4.641 1.532 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.447 -6.630 2.444 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.273 -6.746 0.242 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.797 0.096 5.696 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.515 1.412 6.257 1.00 0.00 C ATOM 1079 C PHE A 76 -6.671 2.372 5.996 1.00 0.00 C ATOM 1080 O PHE A 76 -7.646 2.020 5.332 1.00 0.00 O ATOM 1081 CB PHE A 76 -4.223 1.976 5.664 1.00 0.00 C ATOM 1082 CG PHE A 76 -4.262 2.124 4.170 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -4.145 1.014 3.348 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.415 3.371 3.587 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -4.181 1.146 1.972 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.452 3.510 2.212 1.00 0.00 C ATOM 1087 CZ PHE A 76 -4.334 2.396 1.404 1.00 0.00 C ATOM 0 H PHE A 76 -6.201 0.114 4.759 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.393 1.303 7.335 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.022 2.949 6.112 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.393 1.323 5.935 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.024 0.035 3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.507 4.245 4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.090 0.273 1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.573 4.488 1.770 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.361 2.502 0.330 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.555 3.587 6.522 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.590 4.599 6.345 1.00 0.00 C ATOM 1099 C LYS A 77 -7.104 5.722 5.434 1.00 0.00 C ATOM 1100 O LYS A 77 -5.939 6.116 5.485 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.011 5.170 7.701 1.00 0.00 C ATOM 1102 CG LYS A 77 -9.270 4.530 8.267 1.00 0.00 C ATOM 1103 CD LYS A 77 -8.966 3.682 9.492 1.00 0.00 C ATOM 1104 CE LYS A 77 -10.043 3.831 10.554 1.00 0.00 C ATOM 1105 NZ LYS A 77 -10.027 2.702 11.523 1.00 0.00 N ATOM 0 H LYS A 77 -5.755 3.895 7.074 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.452 4.124 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.195 5.037 8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.173 6.243 7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.987 5.308 8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.739 3.911 7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.884 2.635 9.200 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.001 3.973 9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.898 4.770 11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.021 3.884 10.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.776 2.841 12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.190 1.808 11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.103 2.666 11.999 1.00 0.00 H new ATOM 1119 N CYS A 78 -8.006 6.233 4.602 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.670 7.312 3.680 1.00 0.00 C ATOM 1121 C CYS A 78 -8.898 7.757 2.893 1.00 0.00 C ATOM 1122 O CYS A 78 -9.942 7.107 2.933 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.568 6.865 2.717 1.00 0.00 C ATOM 1124 SG CYS A 78 -7.048 5.504 1.627 1.00 0.00 S ATOM 0 H CYS A 78 -8.974 5.917 4.547 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.310 8.157 4.266 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.266 7.716 2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.695 6.562 3.296 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.300 4.469 1.870 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.766 8.869 2.178 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.865 9.401 1.382 1.00 0.00 C ATOM 1132 C ALA A 79 -10.089 8.562 0.127 1.00 0.00 C ATOM 1133 O ALA A 79 -9.237 7.760 -0.254 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.593 10.851 1.009 1.00 0.00 C ATOM 0 H ALA A 79 -7.908 9.419 2.134 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.773 9.357 1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.422 11.235 0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.490 11.447 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.672 10.911 0.429 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.245 8.737 -0.537 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.577 7.991 -1.755 1.00 0.00 C ATOM 1142 C PRO A 80 -10.711 8.403 -2.940 1.00 0.00 C ATOM 1143 O PRO A 80 -10.375 9.578 -3.097 1.00 0.00 O ATOM 1144 CB PRO A 80 -13.041 8.356 -2.010 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.222 9.681 -1.353 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.317 9.674 -0.151 1.00 0.00 C ATOM 0 HA PRO A 80 -11.406 6.921 -1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.255 8.411 -3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.714 7.610 -1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.962 10.492 -2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.261 9.832 -1.059 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.924 10.668 0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.841 9.339 0.744 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.353 7.431 -3.772 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.526 7.692 -4.943 1.00 0.00 C ATOM 1156 C LYS A 81 -8.164 8.248 -4.536 1.00 0.00 C ATOM 1157 O LYS A 81 -7.568 9.047 -5.258 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.230 8.673 -5.883 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.587 8.186 -6.366 1.00 0.00 C ATOM 1160 CD LYS A 81 -11.722 8.305 -7.876 1.00 0.00 C ATOM 1161 CE LYS A 81 -11.577 9.746 -8.336 1.00 0.00 C ATOM 1162 NZ LYS A 81 -12.350 10.013 -9.580 1.00 0.00 N ATOM 0 H LYS A 81 -10.623 6.454 -3.656 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.371 6.747 -5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.357 9.627 -5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.591 8.858 -6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.728 7.147 -6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.374 8.765 -5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.964 7.689 -8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.692 7.918 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.918 10.415 -7.546 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.524 9.968 -8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.224 11.007 -9.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.008 9.393 -10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.359 9.826 -9.409 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.679 7.818 -3.376 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.388 8.271 -2.872 1.00 0.00 C ATOM 1178 C TYR A 82 -5.493 7.084 -2.531 1.00 0.00 C ATOM 1179 O TYR A 82 -4.311 7.065 -2.876 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.578 9.152 -1.636 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.852 10.603 -1.961 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.822 11.457 -2.331 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -8.141 11.118 -1.897 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -6.067 12.785 -2.628 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.395 12.443 -2.192 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.355 13.273 -2.557 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.604 14.594 -2.851 1.00 0.00 O ATOM 0 H TYR A 82 -8.161 7.156 -2.767 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.906 8.856 -3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.405 8.759 -1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.684 9.090 -1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.812 11.078 -2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.958 10.471 -1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.254 13.436 -2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.403 12.828 -2.137 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.562 14.776 -2.754 1.00 0.00 H new ATOM 1197 N GLY A 83 -6.064 6.096 -1.851 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.304 4.918 -1.474 1.00 0.00 C ATOM 1199 C GLY A 83 -4.990 4.027 -2.659 1.00 0.00 C ATOM 1200 O GLY A 83 -5.731 4.004 -3.642 1.00 0.00 O ATOM 0 H GLY A 83 -7.040 6.089 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.373 5.227 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.866 4.348 -0.734 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.887 3.293 -2.567 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.474 2.395 -3.639 1.00 0.00 C ATOM 1206 C ILE A 84 -2.504 1.336 -3.122 1.00 0.00 C ATOM 1207 O ILE A 84 -1.738 1.584 -2.190 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.812 3.171 -4.796 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.476 2.227 -5.952 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.561 3.890 -4.309 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.593 2.875 -7.315 1.00 0.00 C ATOM 0 H ILE A 84 -3.262 3.302 -1.761 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.374 1.906 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.518 3.918 -5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.460 1.854 -5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.141 1.364 -5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.107 4.432 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.829 4.592 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.850 3.161 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.340 2.148 -8.087 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.615 3.224 -7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.908 3.721 -7.376 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.543 0.156 -3.732 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.669 -0.940 -3.330 1.00 0.00 C ATOM 1225 C PHE A 85 -0.645 -1.248 -4.417 1.00 0.00 C ATOM 1226 O PHE A 85 -0.996 -1.430 -5.583 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.493 -2.191 -3.021 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.450 -2.011 -1.876 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.522 -1.142 -1.983 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -3.274 -2.712 -0.694 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -5.404 -0.975 -0.931 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -4.152 -2.549 0.361 1.00 0.00 C ATOM 1233 CZ PHE A 85 -5.219 -1.680 0.242 1.00 0.00 C ATOM 0 H PHE A 85 -3.170 -0.066 -4.506 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.135 -0.633 -2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.054 -2.476 -3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.817 -3.015 -2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.671 -0.588 -2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.442 -3.393 -0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.237 -0.294 -1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.004 -3.101 1.278 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.907 -1.552 1.065 1.00 0.00 H new ATOM 1243 N ALA A 86 0.625 -1.306 -4.027 1.00 0.00 N ATOM 1244 CA ALA A 86 1.702 -1.593 -4.967 1.00 0.00 C ATOM 1245 C ALA A 86 2.670 -2.624 -4.392 1.00 0.00 C ATOM 1246 O ALA A 86 2.830 -2.724 -3.176 1.00 0.00 O ATOM 1247 CB ALA A 86 2.442 -0.314 -5.328 1.00 0.00 C ATOM 0 H ALA A 86 0.933 -1.158 -3.066 1.00 0.00 H new ATOM 0 HA ALA A 86 1.261 -2.011 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.243 -0.543 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.748 0.391 -5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.865 0.128 -4.426 1.00 0.00 H new ATOM 1253 N PRO A 87 3.329 -3.410 -5.262 1.00 0.00 N ATOM 1254 CA PRO A 87 4.283 -4.438 -4.830 1.00 0.00 C ATOM 1255 C PRO A 87 5.420 -3.858 -3.996 1.00 0.00 C ATOM 1256 O PRO A 87 6.208 -3.046 -4.477 1.00 0.00 O ATOM 1257 CB PRO A 87 4.823 -5.010 -6.146 1.00 0.00 C ATOM 1258 CG PRO A 87 3.796 -4.666 -7.168 1.00 0.00 C ATOM 1259 CD PRO A 87 3.197 -3.361 -6.728 1.00 0.00 C ATOM 0 HA PRO A 87 3.811 -5.184 -4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.790 -4.575 -6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.966 -6.088 -6.078 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.245 -4.576 -8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.034 -5.443 -7.233 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.729 -2.510 -7.152 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.155 -3.271 -7.036 1.00 0.00 H new ATOM 1267 N LEU A 88 5.493 -4.281 -2.733 1.00 0.00 N ATOM 1268 CA LEU A 88 6.533 -3.806 -1.826 1.00 0.00 C ATOM 1269 C LEU A 88 7.894 -3.905 -2.496 1.00 0.00 C ATOM 1270 O LEU A 88 8.693 -2.970 -2.457 1.00 0.00 O ATOM 1271 CB LEU A 88 6.524 -4.619 -0.530 1.00 0.00 C ATOM 1272 CG LEU A 88 7.499 -4.135 0.545 1.00 0.00 C ATOM 1273 CD1 LEU A 88 7.014 -2.829 1.155 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.673 -5.196 1.621 1.00 0.00 C ATOM 0 H LEU A 88 4.845 -4.950 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 88 6.333 -2.763 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.515 -4.605 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.756 -5.657 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 88 8.468 -3.956 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.720 -2.499 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.940 -2.069 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.034 -2.981 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.370 -4.836 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.709 -5.405 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.065 -6.109 1.172 1.00 0.00 H new ATOM 1286 N SER A 89 8.135 -5.046 -3.134 1.00 0.00 N ATOM 1287 CA SER A 89 9.384 -5.272 -3.843 1.00 0.00 C ATOM 1288 C SER A 89 9.598 -4.171 -4.874 1.00 0.00 C ATOM 1289 O SER A 89 10.729 -3.872 -5.256 1.00 0.00 O ATOM 1290 CB SER A 89 9.373 -6.640 -4.526 1.00 0.00 C ATOM 1291 OG SER A 89 9.188 -7.680 -3.583 1.00 0.00 O ATOM 0 H SER A 89 7.480 -5.827 -3.173 1.00 0.00 H new ATOM 0 HA SER A 89 10.204 -5.253 -3.125 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.576 -6.673 -5.269 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.312 -6.791 -5.059 1.00 0.00 H new ATOM 0 HG SER A 89 9.183 -8.544 -4.046 1.00 0.00 H new ATOM 1297 N LYS A 90 8.496 -3.560 -5.309 1.00 0.00 N ATOM 1298 CA LYS A 90 8.563 -2.478 -6.281 1.00 0.00 C ATOM 1299 C LYS A 90 8.597 -1.124 -5.577 1.00 0.00 C ATOM 1300 O LYS A 90 8.904 -0.103 -6.191 1.00 0.00 O ATOM 1301 CB LYS A 90 7.368 -2.539 -7.234 1.00 0.00 C ATOM 1302 CG LYS A 90 7.517 -3.580 -8.333 1.00 0.00 C ATOM 1303 CD LYS A 90 7.126 -3.023 -9.695 1.00 0.00 C ATOM 1304 CE LYS A 90 8.269 -3.132 -10.692 1.00 0.00 C ATOM 1305 NZ LYS A 90 7.790 -3.528 -12.046 1.00 0.00 N ATOM 0 H LYS A 90 7.552 -3.797 -5.003 1.00 0.00 H new ATOM 0 HA LYS A 90 9.480 -2.597 -6.857 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.467 -2.756 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.228 -1.559 -7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.549 -3.929 -8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.895 -4.445 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.258 -3.563 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.831 -1.979 -9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.787 -2.175 -10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.994 -3.864 -10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.599 -3.591 -12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.318 -4.453 -11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.118 -2.817 -12.398 1.00 0.00 H new ATOM 1319 N ILE A 91 8.279 -1.122 -4.283 1.00 0.00 N ATOM 1320 CA ILE A 91 8.275 0.108 -3.502 1.00 0.00 C ATOM 1321 C ILE A 91 9.594 0.289 -2.756 1.00 0.00 C ATOM 1322 O ILE A 91 10.141 -0.665 -2.203 1.00 0.00 O ATOM 1323 CB ILE A 91 7.115 0.125 -2.488 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.788 -0.163 -3.193 1.00 0.00 C ATOM 1325 CG2 ILE A 91 7.057 1.462 -1.764 1.00 0.00 C ATOM 1326 CD1 ILE A 91 4.746 -0.782 -2.289 1.00 0.00 C ATOM 0 H ILE A 91 8.022 -1.957 -3.757 1.00 0.00 H new ATOM 0 HA ILE A 91 8.144 0.930 -4.205 1.00 0.00 H new ATOM 0 HB ILE A 91 7.290 -0.656 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.395 0.767 -3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.970 -0.831 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.232 1.455 -1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.994 1.629 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.904 2.262 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.832 -0.959 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.119 -1.729 -1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.535 -0.106 -1.461 1.00 0.00 H new ATOM 1338 N SER A 92 10.097 1.519 -2.746 1.00 0.00 N ATOM 1339 CA SER A 92 11.352 1.824 -2.068 1.00 0.00 C ATOM 1340 C SER A 92 11.260 3.156 -1.330 1.00 0.00 C ATOM 1341 O SER A 92 10.225 3.821 -1.355 1.00 0.00 O ATOM 1342 CB SER A 92 12.503 1.864 -3.074 1.00 0.00 C ATOM 1343 OG SER A 92 12.988 0.561 -3.347 1.00 0.00 O ATOM 0 H SER A 92 9.656 2.320 -3.199 1.00 0.00 H new ATOM 0 HA SER A 92 11.544 1.037 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.165 2.331 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.311 2.481 -2.682 1.00 0.00 H new ATOM 0 HG SER A 92 13.722 0.614 -3.994 1.00 0.00 H new ATOM 1349 N LYS A 93 12.351 3.539 -0.673 1.00 0.00 N ATOM 1350 CA LYS A 93 12.393 4.792 0.072 1.00 0.00 C ATOM 1351 C LYS A 93 12.554 5.980 -0.869 1.00 0.00 C ATOM 1352 O LYS A 93 13.204 5.877 -1.909 1.00 0.00 O ATOM 1353 CB LYS A 93 13.539 4.769 1.085 1.00 0.00 C ATOM 1354 CG LYS A 93 13.283 5.624 2.315 1.00 0.00 C ATOM 1355 CD LYS A 93 14.131 6.886 2.306 1.00 0.00 C ATOM 1356 CE LYS A 93 13.389 8.062 2.921 1.00 0.00 C ATOM 1357 NZ LYS A 93 13.801 8.304 4.331 1.00 0.00 N ATOM 0 H LYS A 93 13.216 3.000 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 93 11.448 4.900 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.715 3.740 1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.451 5.114 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.228 5.894 2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.500 5.045 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.054 6.709 2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.413 7.128 1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.576 8.958 2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.316 7.874 2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.272 9.114 4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.599 7.458 4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.820 8.509 4.365 1.00 0.00 H new ATOM 1371 N LEU A 94 11.958 7.108 -0.497 1.00 0.00 N ATOM 1372 CA LEU A 94 12.035 8.318 -1.308 1.00 0.00 C ATOM 1373 C LEU A 94 13.416 8.958 -1.201 1.00 0.00 C ATOM 1374 O LEU A 94 13.991 9.038 -0.115 1.00 0.00 O ATOM 1375 CB LEU A 94 10.961 9.317 -0.874 1.00 0.00 C ATOM 1376 CG LEU A 94 10.552 10.333 -1.943 1.00 0.00 C ATOM 1377 CD1 LEU A 94 9.344 9.832 -2.719 1.00 0.00 C ATOM 1378 CD2 LEU A 94 10.258 11.684 -1.309 1.00 0.00 C ATOM 0 H LEU A 94 11.416 7.210 0.361 1.00 0.00 H new ATOM 0 HA LEU A 94 11.863 8.040 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.075 8.763 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.322 9.858 0.001 1.00 0.00 H new ATOM 0 HG LEU A 94 11.382 10.454 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.067 10.567 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.589 8.887 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.509 9.682 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.969 12.394 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.445 11.580 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.149 12.048 -0.798 1.00 0.00 H new ATOM 1390 N LYS A 95 13.941 9.412 -2.334 1.00 0.00 N ATOM 1391 CA LYS A 95 15.254 10.046 -2.367 1.00 0.00 C ATOM 1392 C LYS A 95 15.153 11.525 -2.012 1.00 0.00 C ATOM 1393 O LYS A 95 14.910 12.366 -2.878 1.00 0.00 O ATOM 1394 CB LYS A 95 15.886 9.883 -3.750 1.00 0.00 C ATOM 1395 CG LYS A 95 17.400 10.029 -3.748 1.00 0.00 C ATOM 1396 CD LYS A 95 17.820 11.481 -3.591 1.00 0.00 C ATOM 1397 CE LYS A 95 18.907 11.859 -4.587 1.00 0.00 C ATOM 1398 NZ LYS A 95 18.719 13.238 -5.116 1.00 0.00 N ATOM 0 H LYS A 95 13.478 9.353 -3.241 1.00 0.00 H new ATOM 0 HA LYS A 95 15.886 9.556 -1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.624 8.902 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 95 15.459 10.624 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.822 9.437 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.806 9.630 -4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.955 12.128 -3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 95 18.181 11.649 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 95 19.882 11.784 -4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 95 18.904 11.149 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 19.479 13.458 -5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.799 13.303 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 18.747 13.918 -4.330 1.00 0.00 H new ATOM 1412 N ASP A 96 15.339 11.836 -0.733 1.00 0.00 N ATOM 1413 CA ASP A 96 15.269 13.214 -0.263 1.00 0.00 C ATOM 1414 C ASP A 96 16.665 13.799 -0.081 1.00 0.00 C ATOM 1415 O ASP A 96 16.941 14.919 -0.509 1.00 0.00 O ATOM 1416 CB ASP A 96 14.496 13.288 1.054 1.00 0.00 C ATOM 1417 CG ASP A 96 13.005 13.086 0.863 1.00 0.00 C ATOM 1418 OD1 ASP A 96 12.321 14.054 0.468 1.00 0.00 O ATOM 1419 OD2 ASP A 96 12.522 11.960 1.108 1.00 0.00 O ATOM 0 H ASP A 96 15.539 11.152 -0.004 1.00 0.00 H new ATOM 0 HA ASP A 96 14.745 13.802 -1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.877 12.531 1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.671 14.257 1.521 1.00 0.00 H new ATOM 1424 N SER A 97 17.543 13.033 0.560 1.00 0.00 N ATOM 1425 CA SER A 97 18.911 13.476 0.799 1.00 0.00 C ATOM 1426 C SER A 97 19.806 12.299 1.173 1.00 0.00 C ATOM 1427 O SER A 97 19.323 11.247 1.594 1.00 0.00 O ATOM 1428 CB SER A 97 18.942 14.527 1.910 1.00 0.00 C ATOM 1429 OG SER A 97 18.317 14.045 3.087 1.00 0.00 O ATOM 0 H SER A 97 17.331 12.104 0.923 1.00 0.00 H new ATOM 0 HA SER A 97 19.289 13.919 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 97 19.975 14.799 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 97 18.438 15.433 1.572 1.00 0.00 H new ATOM 0 HG SER A 97 18.352 14.735 3.782 1.00 0.00 H new ATOM 1435 N GLY A 98 21.113 12.482 1.015 1.00 0.00 N ATOM 1436 CA GLY A 98 22.055 11.427 1.339 1.00 0.00 C ATOM 1437 C GLY A 98 23.481 11.785 0.965 1.00 0.00 C ATOM 1438 O GLY A 98 24.066 11.165 0.077 1.00 0.00 O ATOM 0 H GLY A 98 21.537 13.343 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 98 22.005 11.216 2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 98 21.765 10.514 0.820 1.00 0.00 H new ATOM 1442 N PRO A 99 24.072 12.791 1.632 1.00 0.00 N ATOM 1443 CA PRO A 99 25.447 13.221 1.354 1.00 0.00 C ATOM 1444 C PRO A 99 26.477 12.177 1.773 1.00 0.00 C ATOM 1445 O PRO A 99 27.561 12.094 1.196 1.00 0.00 O ATOM 1446 CB PRO A 99 25.601 14.491 2.194 1.00 0.00 C ATOM 1447 CG PRO A 99 24.610 14.342 3.295 1.00 0.00 C ATOM 1448 CD PRO A 99 23.451 13.586 2.708 1.00 0.00 C ATOM 0 HA PRO A 99 25.617 13.376 0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 99 26.614 14.587 2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 99 25.402 15.384 1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 99 25.041 13.802 4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 99 24.292 15.315 3.669 1.00 0.00 H new ATOM 0 HD2 PRO A 99 22.969 12.950 3.450 1.00 0.00 H new ATOM 0 HD3 PRO A 99 22.687 14.260 2.320 1.00 0.00 H new ATOM 1456 N SER A 100 26.129 11.381 2.778 1.00 0.00 N ATOM 1457 CA SER A 100 27.023 10.341 3.274 1.00 0.00 C ATOM 1458 C SER A 100 26.918 9.082 2.420 1.00 0.00 C ATOM 1459 O SER A 100 26.336 8.081 2.840 1.00 0.00 O ATOM 1460 CB SER A 100 26.699 10.014 4.733 1.00 0.00 C ATOM 1461 OG SER A 100 25.341 9.634 4.880 1.00 0.00 O ATOM 0 H SER A 100 25.235 11.436 3.265 1.00 0.00 H new ATOM 0 HA SER A 100 28.045 10.714 3.213 1.00 0.00 H new ATOM 0 HB2 SER A 100 27.345 9.208 5.081 1.00 0.00 H new ATOM 0 HB3 SER A 100 26.907 10.882 5.359 1.00 0.00 H new ATOM 0 HG SER A 100 25.133 8.913 4.249 1.00 0.00 H new ATOM 1467 N SER A 101 27.484 9.139 1.219 1.00 0.00 N ATOM 1468 CA SER A 101 27.454 8.004 0.304 1.00 0.00 C ATOM 1469 C SER A 101 28.776 7.244 0.337 1.00 0.00 C ATOM 1470 O SER A 101 29.670 7.566 1.119 1.00 0.00 O ATOM 1471 CB SER A 101 27.158 8.477 -1.120 1.00 0.00 C ATOM 1472 OG SER A 101 25.767 8.447 -1.390 1.00 0.00 O ATOM 0 H SER A 101 27.969 9.960 0.857 1.00 0.00 H new ATOM 0 HA SER A 101 26.660 7.330 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 101 27.536 9.490 -1.256 1.00 0.00 H new ATOM 0 HB3 SER A 101 27.684 7.843 -1.834 1.00 0.00 H new ATOM 0 HG SER A 101 25.605 8.756 -2.306 1.00 0.00 H new ATOM 1478 N GLY A 102 28.894 6.234 -0.520 1.00 0.00 N ATOM 1479 CA GLY A 102 30.109 5.445 -0.573 1.00 0.00 C ATOM 1480 C GLY A 102 29.990 4.257 -1.506 1.00 0.00 C ATOM 1481 O GLY A 102 30.615 4.286 -2.588 1.00 0.00 O ATOM 1482 OXT GLY A 102 29.272 3.296 -1.157 1.00 0.00 O ATOM 0 H GLY A 102 28.169 5.949 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 102 30.935 6.077 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 102 30.353 5.093 0.429 1.00 0.00 H new TER 1486 GLY A 102