USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 687 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 77 CYS SG : rot 61:sc= 0.0579 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot -20:sc= 1.34 USER MOD Set 2.2: A 32 THR OG1 : rot 170:sc= 0.908 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -93:sc= 1.29 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -176:sc= -0.407 (180deg=-0.465) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 139:sc= 0.148 (180deg=-0.39) USER MOD Single : A 21 GLN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.0202 USER MOD Single : A 34 GLN : amide:sc= -0.0535 K(o=-0.054,f=-4.8!) USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00437) USER MOD Single : A 38 GLN : amide:sc= -0.083 K(o=-0.083,f=-0.59) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 CYS SG : rot -162:sc= 1.07 USER MOD Single : A 49 CYS SG : rot 65:sc= 0.0366 USER MOD Single : A 58 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.8) USER MOD Single : A 59 GLN : amide:sc=-0.00213 X(o=-0.0021,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.213 K(o=0.21,f=-2.1) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.231 F(o=-0.76,f=-0.23) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0418 USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.11) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS :FLIP no HD1:sc= -0.434 F(o=-1.4,f=-0.43) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.701 15.117 -18.813 1.00 0.00 N ATOM 2 CA GLY A 1 11.047 15.020 -17.394 1.00 0.00 C ATOM 3 C GLY A 1 10.189 16.000 -16.627 1.00 0.00 C ATOM 4 O GLY A 1 9.935 17.085 -17.148 1.00 0.00 O ATOM 0 H1 GLY A 1 11.571 15.192 -19.378 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.173 14.268 -19.100 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.113 15.960 -18.970 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.881 14.006 -17.031 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.103 15.243 -17.245 1.00 0.00 H new ATOM 8 N SER A 2 9.744 15.635 -15.422 1.00 0.00 N ATOM 9 CA SER A 2 8.922 16.474 -14.551 1.00 0.00 C ATOM 10 C SER A 2 7.667 17.019 -15.262 1.00 0.00 C ATOM 11 O SER A 2 7.353 18.208 -15.172 1.00 0.00 O ATOM 12 CB SER A 2 9.798 17.578 -13.936 1.00 0.00 C ATOM 13 OG SER A 2 10.963 17.040 -13.319 1.00 0.00 O ATOM 0 H SER A 2 9.952 14.723 -15.016 1.00 0.00 H new ATOM 0 HA SER A 2 8.530 15.860 -13.740 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.090 18.286 -14.712 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.219 18.134 -13.199 1.00 0.00 H new ATOM 0 HG SER A 2 11.498 17.768 -12.940 1.00 0.00 H new ATOM 19 N SER A 3 6.929 16.143 -15.951 1.00 0.00 N ATOM 20 CA SER A 3 5.646 16.455 -16.573 1.00 0.00 C ATOM 21 C SER A 3 4.626 16.902 -15.512 1.00 0.00 C ATOM 22 O SER A 3 4.797 16.656 -14.315 1.00 0.00 O ATOM 23 CB SER A 3 5.176 15.199 -17.332 1.00 0.00 C ATOM 24 OG SER A 3 3.987 15.393 -18.080 1.00 0.00 O ATOM 0 H SER A 3 7.217 15.175 -16.093 1.00 0.00 H new ATOM 0 HA SER A 3 5.746 17.284 -17.273 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.969 14.875 -18.006 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.016 14.392 -16.617 1.00 0.00 H new ATOM 0 HG SER A 3 3.213 15.142 -17.534 1.00 0.00 H new ATOM 30 N GLY A 4 3.526 17.513 -15.957 1.00 0.00 N ATOM 31 CA GLY A 4 2.268 17.500 -15.218 1.00 0.00 C ATOM 32 C GLY A 4 1.549 16.174 -15.476 1.00 0.00 C ATOM 33 O GLY A 4 2.041 15.360 -16.264 1.00 0.00 O ATOM 0 H GLY A 4 3.485 18.028 -16.837 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.457 17.624 -14.152 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.640 18.335 -15.530 1.00 0.00 H new ATOM 37 N SER A 5 0.385 15.986 -14.848 1.00 0.00 N ATOM 38 CA SER A 5 -0.432 14.772 -14.885 1.00 0.00 C ATOM 39 C SER A 5 0.244 13.574 -14.213 1.00 0.00 C ATOM 40 O SER A 5 1.315 13.122 -14.615 1.00 0.00 O ATOM 41 CB SER A 5 -0.929 14.458 -16.302 1.00 0.00 C ATOM 42 OG SER A 5 -1.845 15.460 -16.698 1.00 0.00 O ATOM 0 H SER A 5 -0.034 16.715 -14.270 1.00 0.00 H new ATOM 0 HA SER A 5 -1.317 14.979 -14.283 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.089 14.419 -16.996 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.408 13.479 -16.325 1.00 0.00 H new ATOM 0 HG SER A 5 -2.167 15.269 -17.604 1.00 0.00 H new ATOM 48 N SER A 6 -0.379 13.066 -13.149 1.00 0.00 N ATOM 49 CA SER A 6 -0.011 11.825 -12.483 1.00 0.00 C ATOM 50 C SER A 6 -0.434 10.684 -13.412 1.00 0.00 C ATOM 51 O SER A 6 -1.554 10.178 -13.319 1.00 0.00 O ATOM 52 CB SER A 6 -0.703 11.747 -11.115 1.00 0.00 C ATOM 53 OG SER A 6 -0.571 12.972 -10.399 1.00 0.00 O ATOM 0 H SER A 6 -1.180 13.526 -12.716 1.00 0.00 H new ATOM 0 HA SER A 6 1.061 11.763 -12.294 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.759 11.515 -11.252 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.271 10.934 -10.532 1.00 0.00 H new ATOM 0 HG SER A 6 -1.022 12.895 -9.533 1.00 0.00 H new ATOM 59 N GLY A 7 0.414 10.375 -14.391 1.00 0.00 N ATOM 60 CA GLY A 7 0.042 9.548 -15.518 1.00 0.00 C ATOM 61 C GLY A 7 -0.213 8.121 -15.066 1.00 0.00 C ATOM 62 O GLY A 7 -1.364 7.683 -15.040 1.00 0.00 O ATOM 0 H GLY A 7 1.381 10.697 -14.417 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.852 9.951 -15.993 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.835 9.563 -16.266 1.00 0.00 H new ATOM 66 N GLN A 8 0.848 7.384 -14.733 1.00 0.00 N ATOM 67 CA GLN A 8 0.727 5.973 -14.396 1.00 0.00 C ATOM 68 C GLN A 8 -0.042 5.804 -13.086 1.00 0.00 C ATOM 69 O GLN A 8 0.068 6.622 -12.163 1.00 0.00 O ATOM 70 CB GLN A 8 2.102 5.306 -14.316 1.00 0.00 C ATOM 71 CG GLN A 8 2.745 5.132 -15.701 1.00 0.00 C ATOM 72 CD GLN A 8 4.180 4.627 -15.597 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.125 5.334 -15.946 1.00 0.00 O ATOM 74 NE2 GLN A 8 4.379 3.420 -15.098 1.00 0.00 N ATOM 0 H GLN A 8 1.801 7.746 -14.691 1.00 0.00 H new ATOM 0 HA GLN A 8 0.167 5.478 -15.189 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.758 5.906 -13.685 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.004 4.331 -13.838 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.154 4.431 -16.291 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.732 6.085 -16.231 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.584 2.848 -14.814 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.328 3.060 -14.997 1.00 0.00 H new ATOM 83 N ALA A 9 -0.813 4.720 -13.021 1.00 0.00 N ATOM 84 CA ALA A 9 -1.687 4.387 -11.897 1.00 0.00 C ATOM 85 C ALA A 9 -1.911 2.873 -11.751 1.00 0.00 C ATOM 86 O ALA A 9 -2.509 2.434 -10.771 1.00 0.00 O ATOM 87 CB ALA A 9 -3.026 5.109 -12.099 1.00 0.00 C ATOM 0 H ALA A 9 -0.848 4.029 -13.770 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.206 4.715 -10.976 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.694 4.874 -11.271 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.857 6.185 -12.135 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.479 4.781 -13.035 1.00 0.00 H new ATOM 93 N GLU A 10 -1.457 2.088 -12.728 1.00 0.00 N ATOM 94 CA GLU A 10 -1.590 0.661 -12.878 1.00 0.00 C ATOM 95 C GLU A 10 -0.961 -0.059 -11.693 1.00 0.00 C ATOM 96 O GLU A 10 0.256 -0.064 -11.489 1.00 0.00 O ATOM 97 CB GLU A 10 -0.937 0.280 -14.206 1.00 0.00 C ATOM 98 CG GLU A 10 -1.170 -1.183 -14.567 1.00 0.00 C ATOM 99 CD GLU A 10 -0.511 -1.511 -15.899 1.00 0.00 C ATOM 100 OE1 GLU A 10 -0.979 -0.999 -16.942 1.00 0.00 O ATOM 101 OE2 GLU A 10 0.494 -2.267 -15.887 1.00 0.00 O ATOM 0 H GLU A 10 -0.935 2.489 -13.507 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.637 0.360 -12.893 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.333 0.915 -14.998 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.135 0.472 -14.150 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.765 -1.826 -13.785 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.240 -1.385 -14.624 1.00 0.00 H new ATOM 108 N LEU A 11 -1.844 -0.624 -10.895 1.00 0.00 N ATOM 109 CA LEU A 11 -1.569 -1.617 -9.858 1.00 0.00 C ATOM 110 C LEU A 11 -1.037 -2.901 -10.518 1.00 0.00 C ATOM 111 O LEU A 11 -1.310 -3.144 -11.696 1.00 0.00 O ATOM 112 CB LEU A 11 -2.876 -1.923 -9.099 1.00 0.00 C ATOM 113 CG LEU A 11 -3.598 -0.699 -8.490 1.00 0.00 C ATOM 114 CD1 LEU A 11 -5.060 -1.025 -8.176 1.00 0.00 C ATOM 115 CD2 LEU A 11 -2.930 -0.232 -7.208 1.00 0.00 C ATOM 0 H LEU A 11 -2.836 -0.393 -10.951 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.824 -1.235 -9.160 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.562 -2.424 -9.781 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.653 -2.627 -8.297 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.543 0.094 -9.235 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.545 -0.147 -7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.574 -1.313 -9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.104 -1.847 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.467 0.630 -6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.946 -1.039 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.898 0.048 -7.417 1.00 0.00 H new ATOM 127 N MET A 12 -0.371 -3.787 -9.769 1.00 0.00 N ATOM 128 CA MET A 12 -0.006 -5.101 -10.302 1.00 0.00 C ATOM 129 C MET A 12 -1.153 -6.052 -10.025 1.00 0.00 C ATOM 130 O MET A 12 -1.816 -5.947 -8.996 1.00 0.00 O ATOM 131 CB MET A 12 1.226 -5.707 -9.613 1.00 0.00 C ATOM 132 CG MET A 12 2.546 -5.176 -10.161 1.00 0.00 C ATOM 133 SD MET A 12 3.935 -6.342 -10.085 1.00 0.00 S ATOM 134 CE MET A 12 3.854 -6.866 -8.356 1.00 0.00 C ATOM 0 H MET A 12 -0.078 -3.621 -8.806 1.00 0.00 H new ATOM 0 HA MET A 12 0.211 -4.968 -11.362 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.175 -5.499 -8.544 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.202 -6.791 -9.729 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.397 -4.879 -11.199 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.816 -4.277 -9.608 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.690 -7.531 -8.138 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.907 -5.991 -7.708 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.916 -7.392 -8.179 1.00 0.00 H new ATOM 144 N THR A 13 -1.324 -7.042 -10.892 1.00 0.00 N ATOM 145 CA THR A 13 -2.191 -8.183 -10.650 1.00 0.00 C ATOM 146 C THR A 13 -1.313 -9.438 -10.604 1.00 0.00 C ATOM 147 O THR A 13 -0.236 -9.477 -11.207 1.00 0.00 O ATOM 148 CB THR A 13 -3.295 -8.172 -11.711 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.930 -6.906 -11.653 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.357 -9.245 -11.501 1.00 0.00 C ATOM 0 H THR A 13 -0.855 -7.073 -11.797 1.00 0.00 H new ATOM 0 HA THR A 13 -2.709 -8.152 -9.692 1.00 0.00 H new ATOM 0 HB THR A 13 -2.827 -8.373 -12.674 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.643 -6.867 -12.324 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.105 -9.176 -12.290 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.890 -10.230 -11.529 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.836 -9.098 -10.533 1.00 0.00 H new ATOM 158 N LEU A 14 -1.726 -10.414 -9.800 1.00 0.00 N ATOM 159 CA LEU A 14 -1.039 -11.646 -9.439 1.00 0.00 C ATOM 160 C LEU A 14 -2.104 -12.736 -9.278 1.00 0.00 C ATOM 161 O LEU A 14 -3.300 -12.430 -9.195 1.00 0.00 O ATOM 162 CB LEU A 14 -0.307 -11.478 -8.094 1.00 0.00 C ATOM 163 CG LEU A 14 0.716 -10.335 -7.968 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.206 -10.251 -6.521 1.00 0.00 C ATOM 165 CD2 LEU A 14 1.942 -10.506 -8.871 1.00 0.00 C ATOM 0 H LEU A 14 -2.636 -10.354 -9.343 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.311 -11.903 -10.208 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.060 -11.339 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.208 -12.413 -7.875 1.00 0.00 H new ATOM 0 HG LEU A 14 0.199 -9.428 -8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.931 -9.442 -6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.360 -10.057 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.676 -11.194 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.619 -9.664 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.456 -11.432 -8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.624 -10.544 -9.913 1.00 0.00 H new ATOM 177 N THR A 15 -1.707 -14.003 -9.181 1.00 0.00 N ATOM 178 CA THR A 15 -2.612 -15.097 -8.832 1.00 0.00 C ATOM 179 C THR A 15 -1.941 -15.963 -7.752 1.00 0.00 C ATOM 180 O THR A 15 -0.710 -15.978 -7.640 1.00 0.00 O ATOM 181 CB THR A 15 -3.001 -15.899 -10.096 1.00 0.00 C ATOM 182 OG1 THR A 15 -3.063 -15.116 -11.278 1.00 0.00 O ATOM 183 CG2 THR A 15 -4.370 -16.567 -9.948 1.00 0.00 C ATOM 0 H THR A 15 -0.745 -14.301 -9.343 1.00 0.00 H new ATOM 0 HA THR A 15 -3.545 -14.710 -8.421 1.00 0.00 H new ATOM 0 HB THR A 15 -2.203 -16.636 -10.190 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.312 -15.686 -12.035 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.605 -17.120 -10.857 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.351 -17.253 -9.101 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.131 -15.805 -9.780 1.00 0.00 H new ATOM 191 N ILE A 16 -2.738 -16.652 -6.934 1.00 0.00 N ATOM 192 CA ILE A 16 -2.317 -17.626 -5.926 1.00 0.00 C ATOM 193 C ILE A 16 -3.198 -18.869 -6.029 1.00 0.00 C ATOM 194 O ILE A 16 -4.261 -18.814 -6.652 1.00 0.00 O ATOM 195 CB ILE A 16 -2.386 -17.027 -4.502 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.738 -16.430 -4.087 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.317 -15.965 -4.293 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.726 -15.802 -2.691 1.00 0.00 C ATOM 0 H ILE A 16 -3.751 -16.539 -6.959 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.279 -17.899 -6.114 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.220 -17.896 -3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.031 -15.673 -4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.496 -17.212 -4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.394 -15.565 -3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.331 -16.408 -4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.459 -15.159 -5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.714 -15.400 -2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.464 -16.560 -1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.991 -14.997 -2.660 1.00 0.00 H new ATOM 210 N VAL A 17 -2.816 -19.969 -5.375 1.00 0.00 N ATOM 211 CA VAL A 17 -3.625 -21.180 -5.271 1.00 0.00 C ATOM 212 C VAL A 17 -3.608 -21.600 -3.800 1.00 0.00 C ATOM 213 O VAL A 17 -2.594 -21.488 -3.117 1.00 0.00 O ATOM 214 CB VAL A 17 -3.082 -22.281 -6.209 1.00 0.00 C ATOM 215 CG1 VAL A 17 -3.970 -23.536 -6.190 1.00 0.00 C ATOM 216 CG2 VAL A 17 -2.970 -21.811 -7.669 1.00 0.00 C ATOM 0 H VAL A 17 -1.919 -20.041 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.653 -21.003 -5.588 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.089 -22.515 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.554 -24.286 -6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.010 -23.938 -5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.977 -23.274 -6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.583 -22.624 -8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.954 -21.517 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.293 -20.959 -7.726 1.00 0.00 H new ATOM 226 N LYS A 18 -4.747 -22.048 -3.276 1.00 0.00 N ATOM 227 CA LYS A 18 -4.807 -22.542 -1.901 1.00 0.00 C ATOM 228 C LYS A 18 -4.123 -23.917 -1.815 1.00 0.00 C ATOM 229 O LYS A 18 -4.142 -24.681 -2.782 1.00 0.00 O ATOM 230 CB LYS A 18 -6.278 -22.579 -1.448 1.00 0.00 C ATOM 231 CG LYS A 18 -6.550 -21.731 -0.198 1.00 0.00 C ATOM 232 CD LYS A 18 -8.017 -21.270 -0.085 1.00 0.00 C ATOM 233 CE LYS A 18 -8.151 -20.328 1.116 1.00 0.00 C ATOM 234 NZ LYS A 18 -9.102 -20.751 2.160 1.00 0.00 N ATOM 0 H LYS A 18 -5.635 -22.079 -3.778 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.269 -21.877 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.911 -22.226 -2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.563 -23.612 -1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.288 -22.308 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.901 -20.856 -0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.324 -20.761 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.674 -22.131 0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.168 -20.210 1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.453 -19.346 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.696 -20.560 3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.992 -20.223 2.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.291 -21.769 2.066 1.00 0.00 H new ATOM 248 N GLY A 19 -3.587 -24.264 -0.646 1.00 0.00 N ATOM 249 CA GLY A 19 -2.957 -25.548 -0.375 1.00 0.00 C ATOM 250 C GLY A 19 -3.184 -25.903 1.085 1.00 0.00 C ATOM 251 O GLY A 19 -2.275 -25.753 1.912 1.00 0.00 O ATOM 0 H GLY A 19 -3.581 -23.639 0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.377 -26.319 -1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.890 -25.498 -0.590 1.00 0.00 H new ATOM 255 N ALA A 20 -4.413 -26.313 1.408 1.00 0.00 N ATOM 256 CA ALA A 20 -4.921 -26.450 2.772 1.00 0.00 C ATOM 257 C ALA A 20 -4.751 -25.137 3.564 1.00 0.00 C ATOM 258 O ALA A 20 -4.549 -24.082 2.953 1.00 0.00 O ATOM 259 CB ALA A 20 -4.285 -27.679 3.436 1.00 0.00 C ATOM 0 H ALA A 20 -5.104 -26.567 0.702 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.996 -26.628 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.664 -27.780 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.536 -28.572 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.202 -27.558 3.463 1.00 0.00 H new ATOM 265 N GLN A 21 -4.922 -25.194 4.896 1.00 0.00 N ATOM 266 CA GLN A 21 -4.734 -24.178 5.954 1.00 0.00 C ATOM 267 C GLN A 21 -5.184 -22.729 5.676 1.00 0.00 C ATOM 268 O GLN A 21 -4.912 -21.836 6.480 1.00 0.00 O ATOM 269 CB GLN A 21 -3.286 -24.217 6.485 1.00 0.00 C ATOM 270 CG GLN A 21 -3.003 -25.430 7.382 1.00 0.00 C ATOM 271 CD GLN A 21 -2.300 -26.556 6.645 1.00 0.00 C ATOM 272 OE1 GLN A 21 -1.152 -26.409 6.230 1.00 0.00 O ATOM 273 NE2 GLN A 21 -2.958 -27.685 6.481 1.00 0.00 N ATOM 0 H GLN A 21 -5.237 -26.070 5.314 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.450 -24.491 6.714 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.597 -24.229 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.087 -23.304 7.046 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.390 -25.116 8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.943 -25.801 7.791 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.910 -27.777 6.837 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.516 -28.467 5.998 1.00 0.00 H new ATOM 282 N GLY A 22 -5.897 -22.466 4.589 1.00 0.00 N ATOM 283 CA GLY A 22 -6.101 -21.125 4.091 1.00 0.00 C ATOM 284 C GLY A 22 -4.777 -20.509 3.655 1.00 0.00 C ATOM 285 O GLY A 22 -4.321 -19.532 4.248 1.00 0.00 O ATOM 0 H GLY A 22 -6.351 -23.187 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.794 -21.145 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.558 -20.509 4.866 1.00 0.00 H new ATOM 289 N PHE A 23 -4.212 -21.061 2.580 1.00 0.00 N ATOM 290 CA PHE A 23 -2.941 -20.693 1.963 1.00 0.00 C ATOM 291 C PHE A 23 -1.757 -20.943 2.915 1.00 0.00 C ATOM 292 O PHE A 23 -1.913 -21.291 4.091 1.00 0.00 O ATOM 293 CB PHE A 23 -2.935 -19.260 1.387 1.00 0.00 C ATOM 294 CG PHE A 23 -4.105 -18.849 0.507 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.280 -18.353 1.105 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.015 -18.891 -0.904 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.363 -17.942 0.314 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.136 -18.542 -1.682 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.290 -18.015 -1.078 1.00 0.00 C ATOM 0 H PHE A 23 -4.663 -21.830 2.085 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.815 -21.353 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.882 -18.562 2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.020 -19.134 0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.348 -18.289 2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.093 -19.189 -1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.259 -17.567 0.785 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.108 -18.681 -2.753 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.113 -17.669 -1.685 1.00 0.00 H new ATOM 309 N GLY A 24 -0.540 -20.745 2.411 1.00 0.00 N ATOM 310 CA GLY A 24 0.709 -20.894 3.137 1.00 0.00 C ATOM 311 C GLY A 24 1.374 -19.537 3.325 1.00 0.00 C ATOM 312 O GLY A 24 2.595 -19.416 3.273 1.00 0.00 O ATOM 0 H GLY A 24 -0.397 -20.464 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.521 -21.353 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.377 -21.562 2.593 1.00 0.00 H new ATOM 316 N PHE A 25 0.579 -18.487 3.514 1.00 0.00 N ATOM 317 CA PHE A 25 1.055 -17.152 3.826 1.00 0.00 C ATOM 318 C PHE A 25 0.104 -16.549 4.846 1.00 0.00 C ATOM 319 O PHE A 25 -0.997 -17.076 5.069 1.00 0.00 O ATOM 320 CB PHE A 25 1.165 -16.319 2.539 1.00 0.00 C ATOM 321 CG PHE A 25 -0.127 -15.665 2.061 1.00 0.00 C ATOM 322 CD1 PHE A 25 -1.037 -16.402 1.287 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.418 -14.318 2.358 1.00 0.00 C ATOM 324 CE1 PHE A 25 -2.203 -15.808 0.765 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.598 -13.728 1.864 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.486 -14.467 1.067 1.00 0.00 C ATOM 0 H PHE A 25 -0.437 -18.548 3.452 1.00 0.00 H new ATOM 0 HA PHE A 25 2.056 -17.173 4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.909 -15.538 2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.541 -16.962 1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.839 -17.445 1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.263 -13.739 2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.872 -16.379 0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.821 -12.698 2.101 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.385 -14.005 0.687 1.00 0.00 H new ATOM 336 N THR A 26 0.512 -15.444 5.453 1.00 0.00 N ATOM 337 CA THR A 26 -0.233 -14.780 6.502 1.00 0.00 C ATOM 338 C THR A 26 -0.347 -13.298 6.159 1.00 0.00 C ATOM 339 O THR A 26 0.528 -12.724 5.498 1.00 0.00 O ATOM 340 CB THR A 26 0.455 -15.055 7.852 1.00 0.00 C ATOM 341 OG1 THR A 26 1.846 -14.794 7.805 1.00 0.00 O ATOM 342 CG2 THR A 26 0.333 -16.528 8.248 1.00 0.00 C ATOM 0 H THR A 26 1.389 -14.978 5.222 1.00 0.00 H new ATOM 0 HA THR A 26 -1.250 -15.163 6.585 1.00 0.00 H new ATOM 0 HB THR A 26 -0.044 -14.398 8.565 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.269 -15.128 8.623 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.829 -16.690 9.205 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.720 -16.795 8.335 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.803 -17.150 7.486 1.00 0.00 H new ATOM 350 N ILE A 27 -1.420 -12.668 6.627 1.00 0.00 N ATOM 351 CA ILE A 27 -1.635 -11.233 6.532 1.00 0.00 C ATOM 352 C ILE A 27 -1.617 -10.676 7.956 1.00 0.00 C ATOM 353 O ILE A 27 -2.039 -11.362 8.891 1.00 0.00 O ATOM 354 CB ILE A 27 -2.906 -10.905 5.706 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.235 -11.353 6.364 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.777 -11.517 4.309 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.503 -10.810 5.673 1.00 0.00 C ATOM 0 H ILE A 27 -2.183 -13.157 7.095 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.841 -10.738 5.973 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.961 -9.818 5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.276 -12.442 6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.237 -11.031 7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.670 -11.287 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.902 -11.102 3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.668 -12.598 4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.387 -11.172 6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.490 -9.720 5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.529 -11.153 4.639 1.00 0.00 H new ATOM 369 N ALA A 28 -1.094 -9.468 8.131 1.00 0.00 N ATOM 370 CA ALA A 28 -1.100 -8.748 9.389 1.00 0.00 C ATOM 371 C ALA A 28 -1.634 -7.361 9.099 1.00 0.00 C ATOM 372 O ALA A 28 -1.182 -6.694 8.159 1.00 0.00 O ATOM 373 CB ALA A 28 0.302 -8.677 9.993 1.00 0.00 C ATOM 0 H ALA A 28 -0.642 -8.951 7.376 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.726 -9.260 10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.265 -8.131 10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.672 -9.686 10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.970 -8.163 9.302 1.00 0.00 H new ATOM 379 N ASP A 29 -2.592 -6.935 9.916 1.00 0.00 N ATOM 380 CA ASP A 29 -3.281 -5.675 9.706 1.00 0.00 C ATOM 381 C ASP A 29 -2.312 -4.541 10.019 1.00 0.00 C ATOM 382 O ASP A 29 -1.385 -4.682 10.825 1.00 0.00 O ATOM 383 CB ASP A 29 -4.567 -5.658 10.531 1.00 0.00 C ATOM 384 CG ASP A 29 -5.189 -4.273 10.663 1.00 0.00 C ATOM 385 OD1 ASP A 29 -4.849 -3.562 11.634 1.00 0.00 O ATOM 386 OD2 ASP A 29 -6.108 -3.954 9.875 1.00 0.00 O ATOM 0 H ASP A 29 -2.908 -7.453 10.736 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.594 -5.544 8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.292 -6.330 10.072 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.355 -6.048 11.526 1.00 0.00 H new ATOM 391 N SER A 30 -2.439 -3.470 9.254 1.00 0.00 N ATOM 392 CA SER A 30 -1.471 -2.407 9.047 1.00 0.00 C ATOM 393 C SER A 30 -2.286 -1.098 9.054 1.00 0.00 C ATOM 394 O SER A 30 -3.518 -1.146 8.946 1.00 0.00 O ATOM 395 CB SER A 30 -0.729 -2.737 7.722 1.00 0.00 C ATOM 396 OG SER A 30 -1.567 -2.517 6.615 1.00 0.00 O ATOM 0 H SER A 30 -3.292 -3.309 8.718 1.00 0.00 H new ATOM 0 HA SER A 30 -0.697 -2.304 9.808 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.165 -2.119 7.636 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.398 -3.776 7.733 1.00 0.00 H new ATOM 0 HG SER A 30 -2.502 -2.514 6.908 1.00 0.00 H new ATOM 402 N PRO A 31 -1.645 0.078 9.147 1.00 0.00 N ATOM 403 CA PRO A 31 -2.355 1.349 9.284 1.00 0.00 C ATOM 404 C PRO A 31 -3.309 1.602 8.114 1.00 0.00 C ATOM 405 O PRO A 31 -4.396 2.161 8.258 1.00 0.00 O ATOM 406 CB PRO A 31 -1.274 2.433 9.342 1.00 0.00 C ATOM 407 CG PRO A 31 0.073 1.733 9.179 1.00 0.00 C ATOM 408 CD PRO A 31 -0.207 0.240 9.161 1.00 0.00 C ATOM 0 HA PRO A 31 -2.976 1.345 10.180 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.424 3.169 8.552 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.317 2.970 10.290 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.562 2.046 8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.744 1.991 9.998 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.242 -0.226 8.284 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.227 -0.244 10.036 1.00 0.00 H new ATOM 416 N THR A 32 -2.872 1.184 6.935 1.00 0.00 N ATOM 417 CA THR A 32 -3.515 1.387 5.657 1.00 0.00 C ATOM 418 C THR A 32 -4.664 0.411 5.444 1.00 0.00 C ATOM 419 O THR A 32 -5.599 0.718 4.703 1.00 0.00 O ATOM 420 CB THR A 32 -2.419 1.190 4.597 1.00 0.00 C ATOM 421 OG1 THR A 32 -1.638 0.036 4.875 1.00 0.00 O ATOM 422 CG2 THR A 32 -1.465 2.382 4.658 1.00 0.00 C ATOM 0 H THR A 32 -2.001 0.660 6.846 1.00 0.00 H new ATOM 0 HA THR A 32 -3.956 2.382 5.597 1.00 0.00 H new ATOM 0 HB THR A 32 -2.903 1.089 3.626 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.058 -0.159 4.109 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.680 2.258 3.912 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.017 3.300 4.456 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.017 2.439 5.650 1.00 0.00 H new ATOM 430 N GLY A 33 -4.594 -0.771 6.049 1.00 0.00 N ATOM 431 CA GLY A 33 -5.413 -1.885 5.637 1.00 0.00 C ATOM 432 C GLY A 33 -4.690 -3.196 5.910 1.00 0.00 C ATOM 433 O GLY A 33 -4.074 -3.362 6.966 1.00 0.00 O ATOM 0 H GLY A 33 -3.971 -0.974 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.362 -1.866 6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.644 -1.803 4.575 1.00 0.00 H new ATOM 437 N GLN A 34 -4.690 -4.121 4.948 1.00 0.00 N ATOM 438 CA GLN A 34 -4.075 -5.431 5.102 1.00 0.00 C ATOM 439 C GLN A 34 -2.785 -5.501 4.297 1.00 0.00 C ATOM 440 O GLN A 34 -2.659 -4.863 3.245 1.00 0.00 O ATOM 441 CB GLN A 34 -5.082 -6.498 4.662 1.00 0.00 C ATOM 442 CG GLN A 34 -6.442 -6.367 5.362 1.00 0.00 C ATOM 443 CD GLN A 34 -6.319 -6.030 6.843 1.00 0.00 C ATOM 444 OE1 GLN A 34 -5.639 -6.735 7.573 1.00 0.00 O ATOM 445 NE2 GLN A 34 -6.891 -4.945 7.311 1.00 0.00 N ATOM 0 H GLN A 34 -5.121 -3.976 4.035 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.812 -5.609 6.145 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.227 -6.430 3.584 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.668 -7.486 4.866 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.027 -5.592 4.866 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.993 -7.301 5.252 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.457 -4.361 6.696 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.769 -4.686 8.290 1.00 0.00 H new ATOM 454 N ARG A 35 -1.806 -6.255 4.795 1.00 0.00 N ATOM 455 CA ARG A 35 -0.522 -6.469 4.140 1.00 0.00 C ATOM 456 C ARG A 35 -0.049 -7.870 4.465 1.00 0.00 C ATOM 457 O ARG A 35 -0.457 -8.460 5.468 1.00 0.00 O ATOM 458 CB ARG A 35 0.510 -5.473 4.675 1.00 0.00 C ATOM 459 CG ARG A 35 0.263 -4.059 4.156 1.00 0.00 C ATOM 460 CD ARG A 35 1.411 -3.158 4.598 1.00 0.00 C ATOM 461 NE ARG A 35 0.917 -1.861 5.069 1.00 0.00 N ATOM 462 CZ ARG A 35 1.655 -0.777 5.317 1.00 0.00 C ATOM 463 NH1 ARG A 35 2.979 -0.822 5.269 1.00 0.00 N ATOM 464 NH2 ARG A 35 1.050 0.360 5.610 1.00 0.00 N ATOM 0 H ARG A 35 -1.888 -6.744 5.686 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.634 -6.333 3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.480 -5.470 5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.510 -5.796 4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.187 -4.065 3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.683 -3.678 4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.974 -3.646 5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.099 -3.008 3.766 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.088 -1.779 5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.452 -1.696 5.039 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.525 0.018 5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.031 0.402 5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.601 1.196 5.802 1.00 0.00 H new ATOM 478 N VAL A 36 0.877 -8.372 3.669 1.00 0.00 N ATOM 479 CA VAL A 36 1.433 -9.704 3.844 1.00 0.00 C ATOM 480 C VAL A 36 2.431 -9.646 4.992 1.00 0.00 C ATOM 481 O VAL A 36 3.474 -8.986 4.907 1.00 0.00 O ATOM 482 CB VAL A 36 2.024 -10.192 2.516 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.864 -11.470 2.662 1.00 0.00 C ATOM 484 CG2 VAL A 36 0.893 -10.488 1.527 1.00 0.00 C ATOM 0 H VAL A 36 1.269 -7.864 2.876 1.00 0.00 H new ATOM 0 HA VAL A 36 0.673 -10.438 4.112 1.00 0.00 H new ATOM 0 HB VAL A 36 2.676 -9.394 2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.253 -11.763 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.694 -11.284 3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.241 -12.271 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.316 -10.835 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.242 -11.260 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.315 -9.581 1.354 1.00 0.00 H new ATOM 494 N LYS A 37 2.092 -10.354 6.067 1.00 0.00 N ATOM 495 CA LYS A 37 2.943 -10.580 7.219 1.00 0.00 C ATOM 496 C LYS A 37 4.162 -11.370 6.778 1.00 0.00 C ATOM 497 O LYS A 37 5.287 -10.899 6.962 1.00 0.00 O ATOM 498 CB LYS A 37 2.137 -11.349 8.272 1.00 0.00 C ATOM 499 CG LYS A 37 2.952 -11.691 9.528 1.00 0.00 C ATOM 500 CD LYS A 37 2.120 -12.539 10.495 1.00 0.00 C ATOM 501 CE LYS A 37 2.695 -12.562 11.914 1.00 0.00 C ATOM 502 NZ LYS A 37 4.110 -12.989 11.988 1.00 0.00 N ATOM 0 H LYS A 37 1.180 -10.801 6.157 1.00 0.00 H new ATOM 0 HA LYS A 37 3.280 -9.638 7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.269 -10.756 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.760 -12.271 7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.855 -12.232 9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.271 -10.773 10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.102 -12.151 10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.060 -13.559 10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.605 -11.566 12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.092 -13.232 12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.414 -13.011 12.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.208 -13.938 11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.703 -12.318 11.459 1.00 0.00 H new ATOM 516 N GLN A 38 3.947 -12.581 6.267 1.00 0.00 N ATOM 517 CA GLN A 38 4.991 -13.554 6.009 1.00 0.00 C ATOM 518 C GLN A 38 4.487 -14.524 4.947 1.00 0.00 C ATOM 519 O GLN A 38 3.283 -14.759 4.832 1.00 0.00 O ATOM 520 CB GLN A 38 5.306 -14.273 7.336 1.00 0.00 C ATOM 521 CG GLN A 38 6.535 -15.189 7.256 1.00 0.00 C ATOM 522 CD GLN A 38 7.146 -15.486 8.625 1.00 0.00 C ATOM 523 OE1 GLN A 38 7.223 -14.626 9.502 1.00 0.00 O ATOM 524 NE2 GLN A 38 7.576 -16.703 8.881 1.00 0.00 N ATOM 0 H GLN A 38 3.016 -12.915 6.017 1.00 0.00 H new ATOM 0 HA GLN A 38 5.905 -13.088 5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.468 -13.528 8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.440 -14.864 7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.252 -16.127 6.779 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.288 -14.723 6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.518 -17.426 8.164 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.967 -16.924 9.797 1.00 0.00 H new ATOM 533 N ILE A 39 5.413 -15.128 4.209 1.00 0.00 N ATOM 534 CA ILE A 39 5.149 -16.219 3.287 1.00 0.00 C ATOM 535 C ILE A 39 5.828 -17.420 3.927 1.00 0.00 C ATOM 536 O ILE A 39 7.042 -17.409 4.137 1.00 0.00 O ATOM 537 CB ILE A 39 5.657 -15.867 1.874 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.866 -14.653 1.341 1.00 0.00 C ATOM 539 CG2 ILE A 39 5.499 -17.068 0.929 1.00 0.00 C ATOM 540 CD1 ILE A 39 5.388 -14.099 0.013 1.00 0.00 C ATOM 0 H ILE A 39 6.397 -14.861 4.240 1.00 0.00 H new ATOM 0 HA ILE A 39 4.090 -16.429 3.133 1.00 0.00 H new ATOM 0 HB ILE A 39 6.717 -15.616 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.822 -14.940 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.892 -13.860 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.863 -16.801 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.075 -17.910 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.447 -17.346 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.778 -13.249 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.423 -13.778 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.336 -14.875 -0.751 1.00 0.00 H new ATOM 552 N LEU A 40 5.032 -18.402 4.341 1.00 0.00 N ATOM 553 CA LEU A 40 5.512 -19.615 4.994 1.00 0.00 C ATOM 554 C LEU A 40 5.864 -20.670 3.948 1.00 0.00 C ATOM 555 O LEU A 40 6.676 -21.552 4.224 1.00 0.00 O ATOM 556 CB LEU A 40 4.433 -20.173 5.946 1.00 0.00 C ATOM 557 CG LEU A 40 3.881 -19.151 6.958 1.00 0.00 C ATOM 558 CD1 LEU A 40 2.740 -19.766 7.768 1.00 0.00 C ATOM 559 CD2 LEU A 40 4.972 -18.662 7.911 1.00 0.00 C ATOM 0 H LEU A 40 4.018 -18.376 4.230 1.00 0.00 H new ATOM 0 HA LEU A 40 6.403 -19.368 5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.605 -20.558 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.852 -21.017 6.494 1.00 0.00 H new ATOM 0 HG LEU A 40 3.509 -18.298 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.361 -19.031 8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.937 -20.068 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.107 -20.638 8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.548 -17.942 8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.379 -19.509 8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.768 -18.185 7.339 1.00 0.00 H new ATOM 571 N ASP A 41 5.245 -20.584 2.769 1.00 0.00 N ATOM 572 CA ASP A 41 5.267 -21.585 1.719 1.00 0.00 C ATOM 573 C ASP A 41 5.125 -20.857 0.384 1.00 0.00 C ATOM 574 O ASP A 41 4.027 -20.450 -0.006 1.00 0.00 O ATOM 575 CB ASP A 41 4.092 -22.535 1.943 1.00 0.00 C ATOM 576 CG ASP A 41 4.100 -23.733 0.999 1.00 0.00 C ATOM 577 OD1 ASP A 41 5.081 -23.934 0.247 1.00 0.00 O ATOM 578 OD2 ASP A 41 3.139 -24.538 1.102 1.00 0.00 O ATOM 0 H ASP A 41 4.688 -19.768 2.515 1.00 0.00 H new ATOM 0 HA ASP A 41 6.193 -22.160 1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.113 -22.892 2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.159 -21.986 1.815 1.00 0.00 H new ATOM 583 N ILE A 42 6.258 -20.593 -0.254 1.00 0.00 N ATOM 584 CA ILE A 42 6.409 -19.691 -1.385 1.00 0.00 C ATOM 585 C ILE A 42 5.549 -20.171 -2.553 1.00 0.00 C ATOM 586 O ILE A 42 4.697 -19.424 -3.028 1.00 0.00 O ATOM 587 CB ILE A 42 7.903 -19.568 -1.745 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.764 -19.086 -0.548 1.00 0.00 C ATOM 589 CG2 ILE A 42 8.097 -18.625 -2.943 1.00 0.00 C ATOM 590 CD1 ILE A 42 10.145 -19.744 -0.569 1.00 0.00 C ATOM 0 H ILE A 42 7.141 -21.025 0.019 1.00 0.00 H new ATOM 0 HA ILE A 42 6.056 -18.693 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 42 8.244 -20.568 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.873 -18.002 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.258 -19.323 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.158 -18.552 -3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.558 -19.017 -3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.712 -17.636 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.730 -19.390 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.033 -20.826 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.657 -19.485 -1.496 1.00 0.00 H new ATOM 602 N GLN A 43 5.738 -21.414 -3.008 1.00 0.00 N ATOM 603 CA GLN A 43 5.084 -21.919 -4.215 1.00 0.00 C ATOM 604 C GLN A 43 3.553 -21.997 -4.111 1.00 0.00 C ATOM 605 O GLN A 43 2.893 -22.164 -5.135 1.00 0.00 O ATOM 606 CB GLN A 43 5.672 -23.288 -4.601 1.00 0.00 C ATOM 607 CG GLN A 43 6.790 -23.159 -5.644 1.00 0.00 C ATOM 608 CD GLN A 43 6.970 -24.458 -6.430 1.00 0.00 C ATOM 609 OE1 GLN A 43 6.323 -24.668 -7.455 1.00 0.00 O ATOM 610 NE2 GLN A 43 7.805 -25.377 -5.982 1.00 0.00 N ATOM 0 H GLN A 43 6.346 -22.094 -2.551 1.00 0.00 H new ATOM 0 HA GLN A 43 5.289 -21.191 -5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.062 -23.779 -3.710 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.880 -23.925 -4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.557 -22.345 -6.331 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.725 -22.899 -5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.343 -25.206 -5.132 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.912 -26.258 -6.485 1.00 0.00 H new ATOM 619 N GLY A 44 2.973 -21.859 -2.917 1.00 0.00 N ATOM 620 CA GLY A 44 1.527 -21.726 -2.759 1.00 0.00 C ATOM 621 C GLY A 44 1.034 -20.361 -3.248 1.00 0.00 C ATOM 622 O GLY A 44 -0.050 -20.255 -3.821 1.00 0.00 O ATOM 0 H GLY A 44 3.491 -21.837 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.024 -22.517 -3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.261 -21.856 -1.710 1.00 0.00 H new ATOM 626 N CYS A 45 1.833 -19.306 -3.060 1.00 0.00 N ATOM 627 CA CYS A 45 1.522 -17.948 -3.491 1.00 0.00 C ATOM 628 C CYS A 45 2.689 -17.420 -4.332 1.00 0.00 C ATOM 629 O CYS A 45 3.411 -16.525 -3.890 1.00 0.00 O ATOM 630 CB CYS A 45 1.189 -17.074 -2.278 1.00 0.00 C ATOM 631 SG CYS A 45 -0.256 -17.809 -1.470 1.00 0.00 S ATOM 0 H CYS A 45 2.736 -19.379 -2.591 1.00 0.00 H new ATOM 0 HA CYS A 45 0.634 -17.929 -4.123 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.034 -17.031 -1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.978 -16.050 -2.587 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.806 -16.932 -0.684 1.00 0.00 H new ATOM 637 N PRO A 46 2.916 -17.987 -5.527 1.00 0.00 N ATOM 638 CA PRO A 46 4.090 -17.678 -6.324 1.00 0.00 C ATOM 639 C PRO A 46 4.001 -16.227 -6.807 1.00 0.00 C ATOM 640 O PRO A 46 2.951 -15.788 -7.283 1.00 0.00 O ATOM 641 CB PRO A 46 4.077 -18.706 -7.457 1.00 0.00 C ATOM 642 CG PRO A 46 2.605 -19.076 -7.623 1.00 0.00 C ATOM 643 CD PRO A 46 2.049 -18.936 -6.213 1.00 0.00 C ATOM 0 HA PRO A 46 5.031 -17.745 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.487 -18.288 -8.376 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.680 -19.579 -7.207 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.099 -18.411 -8.323 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.485 -20.090 -8.004 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.020 -18.578 -6.234 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.042 -19.898 -5.700 1.00 0.00 H new ATOM 651 N GLY A 47 5.079 -15.454 -6.673 1.00 0.00 N ATOM 652 CA GLY A 47 5.092 -14.040 -7.047 1.00 0.00 C ATOM 653 C GLY A 47 4.466 -13.109 -6.007 1.00 0.00 C ATOM 654 O GLY A 47 4.512 -11.891 -6.198 1.00 0.00 O ATOM 0 H GLY A 47 5.968 -15.791 -6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.123 -13.731 -7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.561 -13.921 -7.991 1.00 0.00 H new ATOM 658 N LEU A 48 3.911 -13.635 -4.910 1.00 0.00 N ATOM 659 CA LEU A 48 3.561 -12.824 -3.753 1.00 0.00 C ATOM 660 C LEU A 48 4.873 -12.381 -3.104 1.00 0.00 C ATOM 661 O LEU A 48 5.782 -13.199 -2.951 1.00 0.00 O ATOM 662 CB LEU A 48 2.706 -13.658 -2.785 1.00 0.00 C ATOM 663 CG LEU A 48 2.097 -12.846 -1.630 1.00 0.00 C ATOM 664 CD1 LEU A 48 0.978 -11.929 -2.130 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.498 -13.797 -0.588 1.00 0.00 C ATOM 0 H LEU A 48 3.696 -14.626 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 48 2.975 -11.949 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.901 -14.134 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.320 -14.457 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 48 2.893 -12.243 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.566 -11.367 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.379 -11.236 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.191 -12.530 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.068 -13.217 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.720 -14.402 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.280 -14.448 -0.198 1.00 0.00 H new ATOM 677 N CYS A 49 4.985 -11.108 -2.731 1.00 0.00 N ATOM 678 CA CYS A 49 6.185 -10.511 -2.159 1.00 0.00 C ATOM 679 C CYS A 49 5.730 -9.626 -1.001 1.00 0.00 C ATOM 680 O CYS A 49 4.760 -8.877 -1.144 1.00 0.00 O ATOM 681 CB CYS A 49 6.917 -9.694 -3.232 1.00 0.00 C ATOM 682 SG CYS A 49 7.356 -10.733 -4.652 1.00 0.00 S ATOM 0 H CYS A 49 4.216 -10.444 -2.823 1.00 0.00 H new ATOM 0 HA CYS A 49 6.881 -11.269 -1.799 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.284 -8.870 -3.562 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.819 -9.253 -2.807 1.00 0.00 H new ATOM 0 HG CYS A 49 6.272 -11.148 -5.238 1.00 0.00 H new ATOM 688 N GLU A 50 6.370 -9.755 0.158 1.00 0.00 N ATOM 689 CA GLU A 50 5.848 -9.250 1.417 1.00 0.00 C ATOM 690 C GLU A 50 5.931 -7.725 1.498 1.00 0.00 C ATOM 691 O GLU A 50 6.817 -7.099 0.897 1.00 0.00 O ATOM 692 CB GLU A 50 6.580 -9.899 2.601 1.00 0.00 C ATOM 693 CG GLU A 50 6.507 -11.434 2.575 1.00 0.00 C ATOM 694 CD GLU A 50 7.764 -12.113 2.019 1.00 0.00 C ATOM 695 OE1 GLU A 50 8.329 -11.653 0.998 1.00 0.00 O ATOM 696 OE2 GLU A 50 8.181 -13.122 2.633 1.00 0.00 O ATOM 0 H GLU A 50 7.274 -10.218 0.247 1.00 0.00 H new ATOM 0 HA GLU A 50 4.793 -9.519 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.625 -9.589 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.149 -9.535 3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.330 -11.795 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.649 -11.736 1.975 1.00 0.00 H new ATOM 703 N GLY A 51 5.034 -7.131 2.292 1.00 0.00 N ATOM 704 CA GLY A 51 4.777 -5.693 2.284 1.00 0.00 C ATOM 705 C GLY A 51 4.186 -5.253 0.943 1.00 0.00 C ATOM 706 O GLY A 51 4.485 -4.169 0.438 1.00 0.00 O ATOM 0 H GLY A 51 4.462 -7.643 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.090 -5.438 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.705 -5.152 2.472 1.00 0.00 H new ATOM 710 N ASP A 52 3.333 -6.101 0.370 1.00 0.00 N ATOM 711 CA ASP A 52 2.365 -5.747 -0.662 1.00 0.00 C ATOM 712 C ASP A 52 1.415 -4.651 -0.152 1.00 0.00 C ATOM 713 O ASP A 52 1.571 -4.102 0.946 1.00 0.00 O ATOM 714 CB ASP A 52 1.565 -6.998 -1.087 1.00 0.00 C ATOM 715 CG ASP A 52 0.509 -7.402 -0.057 1.00 0.00 C ATOM 716 OD1 ASP A 52 0.793 -7.282 1.156 1.00 0.00 O ATOM 717 OD2 ASP A 52 -0.572 -7.866 -0.481 1.00 0.00 O ATOM 0 H ASP A 52 3.297 -7.089 0.622 1.00 0.00 H new ATOM 0 HA ASP A 52 2.901 -5.361 -1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.079 -6.806 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.253 -7.829 -1.241 1.00 0.00 H new ATOM 722 N LEU A 53 0.394 -4.326 -0.939 1.00 0.00 N ATOM 723 CA LEU A 53 -0.820 -3.752 -0.390 1.00 0.00 C ATOM 724 C LEU A 53 -1.978 -4.443 -1.069 1.00 0.00 C ATOM 725 O LEU A 53 -2.077 -4.375 -2.291 1.00 0.00 O ATOM 726 CB LEU A 53 -0.929 -2.244 -0.641 1.00 0.00 C ATOM 727 CG LEU A 53 -2.155 -1.729 0.136 1.00 0.00 C ATOM 728 CD1 LEU A 53 -1.731 -1.281 1.520 1.00 0.00 C ATOM 729 CD2 LEU A 53 -2.954 -0.664 -0.591 1.00 0.00 C ATOM 0 H LEU A 53 0.387 -4.451 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.819 -3.894 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.024 -1.734 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.038 -2.040 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.848 -2.566 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.601 -0.917 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.291 -2.122 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.996 -0.481 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.799 -0.358 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.317 0.198 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.322 -1.066 -1.535 1.00 0.00 H new ATOM 741 N ILE A 54 -2.854 -5.064 -0.294 1.00 0.00 N ATOM 742 CA ILE A 54 -4.064 -5.675 -0.804 1.00 0.00 C ATOM 743 C ILE A 54 -5.025 -4.572 -1.268 1.00 0.00 C ATOM 744 O ILE A 54 -5.284 -3.632 -0.510 1.00 0.00 O ATOM 745 CB ILE A 54 -4.649 -6.602 0.289 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.592 -7.622 0.782 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.855 -7.350 -0.274 1.00 0.00 C ATOM 748 CD1 ILE A 54 -4.085 -8.715 1.739 1.00 0.00 C ATOM 0 H ILE A 54 -2.741 -5.157 0.715 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.870 -6.300 -1.676 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.952 -5.987 1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.153 -8.106 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.792 -7.071 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.269 -8.004 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.614 -6.633 -0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.545 -7.948 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.252 -9.364 2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.494 -8.254 2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.860 -9.305 1.249 1.00 0.00 H new ATOM 760 N VAL A 55 -5.544 -4.693 -2.501 1.00 0.00 N ATOM 761 CA VAL A 55 -6.484 -3.747 -3.101 1.00 0.00 C ATOM 762 C VAL A 55 -7.763 -4.445 -3.557 1.00 0.00 C ATOM 763 O VAL A 55 -8.849 -4.078 -3.098 1.00 0.00 O ATOM 764 CB VAL A 55 -5.821 -2.976 -4.267 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.846 -2.100 -5.004 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.665 -2.098 -3.775 1.00 0.00 C ATOM 0 H VAL A 55 -5.313 -5.471 -3.118 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.763 -3.024 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.426 -3.722 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.353 -1.570 -5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.639 -2.730 -5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.275 -1.379 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.223 -1.571 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.040 -1.374 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.909 -2.724 -3.302 1.00 0.00 H new ATOM 776 N GLU A 56 -7.647 -5.439 -4.441 1.00 0.00 N ATOM 777 CA GLU A 56 -8.788 -6.149 -5.003 1.00 0.00 C ATOM 778 C GLU A 56 -8.473 -7.626 -5.010 1.00 0.00 C ATOM 779 O GLU A 56 -7.407 -8.035 -5.469 1.00 0.00 O ATOM 780 CB GLU A 56 -9.150 -5.687 -6.428 1.00 0.00 C ATOM 781 CG GLU A 56 -10.076 -4.484 -6.392 1.00 0.00 C ATOM 782 CD GLU A 56 -10.649 -4.080 -7.750 1.00 0.00 C ATOM 783 OE1 GLU A 56 -11.524 -4.818 -8.270 1.00 0.00 O ATOM 784 OE2 GLU A 56 -10.342 -2.957 -8.196 1.00 0.00 O ATOM 0 H GLU A 56 -6.748 -5.773 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.655 -5.930 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.241 -5.434 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.630 -6.503 -6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.902 -4.698 -5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.532 -3.636 -5.975 1.00 0.00 H new ATOM 791 N ILE A 57 -9.409 -8.425 -4.521 1.00 0.00 N ATOM 792 CA ILE A 57 -9.314 -9.870 -4.510 1.00 0.00 C ATOM 793 C ILE A 57 -10.533 -10.385 -5.249 1.00 0.00 C ATOM 794 O ILE A 57 -11.662 -10.017 -4.930 1.00 0.00 O ATOM 795 CB ILE A 57 -9.213 -10.405 -3.074 1.00 0.00 C ATOM 796 CG1 ILE A 57 -7.962 -9.816 -2.384 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.154 -11.941 -3.162 1.00 0.00 C ATOM 798 CD1 ILE A 57 -7.865 -10.173 -0.907 1.00 0.00 C ATOM 0 H ILE A 57 -10.275 -8.074 -4.112 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.408 -10.219 -5.006 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.074 -10.110 -2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.070 -10.175 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.975 -8.731 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.082 -12.360 -2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.057 -12.313 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.282 -12.239 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.964 -9.728 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.740 -9.790 -0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.821 -11.257 -0.797 1.00 0.00 H new ATOM 810 N ASN A 58 -10.292 -11.237 -6.241 1.00 0.00 N ATOM 811 CA ASN A 58 -11.272 -11.757 -7.181 1.00 0.00 C ATOM 812 C ASN A 58 -12.186 -10.640 -7.723 1.00 0.00 C ATOM 813 O ASN A 58 -13.382 -10.851 -7.920 1.00 0.00 O ATOM 814 CB ASN A 58 -12.027 -12.949 -6.555 1.00 0.00 C ATOM 815 CG ASN A 58 -11.254 -14.262 -6.633 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.528 -14.535 -7.590 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.399 -15.116 -5.640 1.00 0.00 N ATOM 0 H ASN A 58 -9.356 -11.601 -6.418 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.760 -12.146 -8.061 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.244 -12.725 -5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.985 -13.069 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.908 -16.010 -5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.002 -14.883 -4.851 1.00 0.00 H new ATOM 824 N GLN A 59 -11.637 -9.446 -7.986 1.00 0.00 N ATOM 825 CA GLN A 59 -12.345 -8.256 -8.458 1.00 0.00 C ATOM 826 C GLN A 59 -13.429 -7.745 -7.490 1.00 0.00 C ATOM 827 O GLN A 59 -14.278 -6.944 -7.894 1.00 0.00 O ATOM 828 CB GLN A 59 -12.840 -8.442 -9.912 1.00 0.00 C ATOM 829 CG GLN A 59 -11.699 -8.280 -10.927 1.00 0.00 C ATOM 830 CD GLN A 59 -12.203 -8.311 -12.369 1.00 0.00 C ATOM 831 OE1 GLN A 59 -11.751 -9.114 -13.180 1.00 0.00 O ATOM 832 NE2 GLN A 59 -13.099 -7.417 -12.761 1.00 0.00 N ATOM 0 H GLN A 59 -10.638 -9.280 -7.868 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.617 -7.444 -8.473 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.286 -9.431 -10.021 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.623 -7.714 -10.126 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.183 -7.337 -10.744 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.969 -9.076 -10.781 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -13.478 -6.747 -12.091 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -13.410 -7.398 -13.732 1.00 0.00 H new ATOM 841 N GLN A 60 -13.408 -8.129 -6.212 1.00 0.00 N ATOM 842 CA GLN A 60 -14.031 -7.387 -5.121 1.00 0.00 C ATOM 843 C GLN A 60 -12.965 -6.455 -4.535 1.00 0.00 C ATOM 844 O GLN A 60 -11.828 -6.880 -4.330 1.00 0.00 O ATOM 845 CB GLN A 60 -14.576 -8.382 -4.078 1.00 0.00 C ATOM 846 CG GLN A 60 -14.953 -7.688 -2.763 1.00 0.00 C ATOM 847 CD GLN A 60 -15.965 -8.454 -1.913 1.00 0.00 C ATOM 848 OE1 GLN A 60 -16.914 -7.850 -1.419 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.798 -9.749 -1.694 1.00 0.00 N ATOM 0 H GLN A 60 -12.946 -8.984 -5.903 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.875 -6.788 -5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.451 -8.889 -4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.826 -9.148 -3.881 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.048 -7.532 -2.176 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.359 -6.702 -2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.006 -10.239 -2.110 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.462 -10.257 -1.109 1.00 0.00 H new ATOM 858 N ASN A 61 -13.313 -5.192 -4.267 1.00 0.00 N ATOM 859 CA ASN A 61 -12.427 -4.253 -3.581 1.00 0.00 C ATOM 860 C ASN A 61 -12.479 -4.488 -2.082 1.00 0.00 C ATOM 861 O ASN A 61 -13.538 -4.734 -1.513 1.00 0.00 O ATOM 862 CB ASN A 61 -12.765 -2.801 -3.925 1.00 0.00 C ATOM 863 CG ASN A 61 -11.725 -1.847 -3.345 1.00 0.00 C ATOM 864 OD1 ASN A 61 -11.812 -1.453 -2.184 1.00 0.00 O ATOM 865 ND2 ASN A 61 -10.736 -1.441 -4.122 1.00 0.00 N ATOM 0 H ASN A 61 -14.217 -4.794 -4.521 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.409 -4.433 -3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.811 -2.681 -5.007 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.751 -2.551 -3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.035 -0.794 -3.760 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.673 -1.774 -5.084 1.00 0.00 H new ATOM 872 N VAL A 62 -11.307 -4.427 -1.463 1.00 0.00 N ATOM 873 CA VAL A 62 -11.042 -4.793 -0.079 1.00 0.00 C ATOM 874 C VAL A 62 -10.096 -3.723 0.538 1.00 0.00 C ATOM 875 O VAL A 62 -9.559 -3.933 1.626 1.00 0.00 O ATOM 876 CB VAL A 62 -10.444 -6.223 -0.092 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.292 -7.290 -0.817 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.080 -6.309 -0.777 1.00 0.00 C ATOM 0 H VAL A 62 -10.467 -4.102 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.938 -4.811 0.542 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.394 -6.429 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.784 -8.253 -0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.267 -7.369 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.424 -7.002 -1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.723 -7.338 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.172 -5.985 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.371 -5.664 -0.258 1.00 0.00 H new ATOM 888 N GLN A 63 -9.837 -2.570 -0.114 1.00 0.00 N ATOM 889 CA GLN A 63 -8.931 -1.552 0.442 1.00 0.00 C ATOM 890 C GLN A 63 -9.477 -0.921 1.727 1.00 0.00 C ATOM 891 O GLN A 63 -8.685 -0.398 2.506 1.00 0.00 O ATOM 892 CB GLN A 63 -8.598 -0.421 -0.560 1.00 0.00 C ATOM 893 CG GLN A 63 -7.194 -0.566 -1.179 1.00 0.00 C ATOM 894 CD GLN A 63 -6.456 0.765 -1.365 1.00 0.00 C ATOM 895 OE1 GLN A 63 -6.290 1.256 -2.482 1.00 0.00 O ATOM 896 NE2 GLN A 63 -5.958 1.365 -0.298 1.00 0.00 N ATOM 0 H GLN A 63 -10.240 -2.325 -1.018 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.015 -2.098 0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.342 -0.416 -1.356 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.669 0.541 -0.052 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.593 -1.217 -0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.284 -1.059 -2.147 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.096 0.958 0.627 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.436 2.235 -0.399 1.00 0.00 H new ATOM 905 N ASN A 64 -10.795 -0.926 1.945 1.00 0.00 N ATOM 906 CA ASN A 64 -11.399 -0.426 3.185 1.00 0.00 C ATOM 907 C ASN A 64 -11.852 -1.593 4.074 1.00 0.00 C ATOM 908 O ASN A 64 -12.147 -1.379 5.248 1.00 0.00 O ATOM 909 CB ASN A 64 -12.570 0.530 2.897 1.00 0.00 C ATOM 910 CG ASN A 64 -12.178 1.730 2.034 1.00 0.00 C ATOM 911 OD1 ASN A 64 -11.288 2.513 2.357 1.00 0.00 O ATOM 912 ND2 ASN A 64 -12.817 1.893 0.887 1.00 0.00 N ATOM 0 H ASN A 64 -11.473 -1.276 1.268 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.638 0.141 3.721 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.366 -0.023 2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.977 0.889 3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.571 2.668 0.272 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.556 1.243 0.618 1.00 0.00 H new ATOM 919 N LEU A 65 -11.901 -2.821 3.541 1.00 0.00 N ATOM 920 CA LEU A 65 -12.285 -4.042 4.226 1.00 0.00 C ATOM 921 C LEU A 65 -11.394 -4.322 5.401 1.00 0.00 C ATOM 922 O LEU A 65 -10.179 -4.392 5.242 1.00 0.00 O ATOM 923 CB LEU A 65 -12.170 -5.224 3.257 1.00 0.00 C ATOM 924 CG LEU A 65 -13.481 -5.438 2.526 1.00 0.00 C ATOM 925 CD1 LEU A 65 -14.224 -4.247 1.951 1.00 0.00 C ATOM 926 CD2 LEU A 65 -13.548 -6.708 1.699 1.00 0.00 C ATOM 0 H LEU A 65 -11.658 -2.988 2.565 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.309 -3.914 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.372 -5.037 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.900 -6.127 3.805 1.00 0.00 H new ATOM 0 HG LEU A 65 -14.126 -5.612 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.138 -4.588 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -14.477 -3.554 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.592 -3.742 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -14.522 -6.775 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.765 -6.690 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.405 -7.572 2.348 1.00 0.00 H new ATOM 938 N SER A 66 -12.010 -4.541 6.550 1.00 0.00 N ATOM 939 CA SER A 66 -11.317 -4.907 7.774 1.00 0.00 C ATOM 940 C SER A 66 -10.514 -6.199 7.566 1.00 0.00 C ATOM 941 O SER A 66 -10.800 -6.972 6.645 1.00 0.00 O ATOM 942 CB SER A 66 -12.332 -5.055 8.911 1.00 0.00 C ATOM 943 OG SER A 66 -13.411 -4.148 8.779 1.00 0.00 O ATOM 0 H SER A 66 -13.021 -4.468 6.661 1.00 0.00 H new ATOM 0 HA SER A 66 -10.611 -4.121 8.043 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.715 -6.075 8.924 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.834 -4.889 9.866 1.00 0.00 H new ATOM 0 HG SER A 66 -14.037 -4.275 9.522 1.00 0.00 H new ATOM 949 N HIS A 67 -9.548 -6.476 8.445 1.00 0.00 N ATOM 950 CA HIS A 67 -8.780 -7.720 8.424 1.00 0.00 C ATOM 951 C HIS A 67 -9.725 -8.915 8.344 1.00 0.00 C ATOM 952 O HIS A 67 -9.577 -9.778 7.480 1.00 0.00 O ATOM 953 CB HIS A 67 -7.836 -7.771 9.641 1.00 0.00 C ATOM 954 CG HIS A 67 -7.065 -9.061 9.779 1.00 0.00 C ATOM 955 ND1 HIS A 67 -7.549 -10.270 10.217 1.00 0.00 N flip ATOM 956 CD2 HIS A 67 -5.725 -9.215 9.514 1.00 0.00 C flip ATOM 957 CE1 HIS A 67 -6.475 -11.172 10.201 1.00 0.00 C flip ATOM 958 NE2 HIS A 67 -5.402 -10.492 9.765 1.00 0.00 N flip ATOM 0 H HIS A 67 -9.276 -5.840 9.194 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.151 -7.761 7.535 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.128 -6.945 9.571 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.422 -7.613 10.547 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.052 -8.445 9.166 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.505 -12.214 10.485 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -4.471 -10.891 9.642 1.00 0.00 H new ATOM 966 N THR A 68 -10.740 -8.919 9.197 1.00 0.00 N ATOM 967 CA THR A 68 -11.719 -9.974 9.305 1.00 0.00 C ATOM 968 C THR A 68 -12.454 -10.207 7.982 1.00 0.00 C ATOM 969 O THR A 68 -12.760 -11.353 7.669 1.00 0.00 O ATOM 970 CB THR A 68 -12.714 -9.605 10.416 1.00 0.00 C ATOM 971 OG1 THR A 68 -12.096 -8.957 11.511 1.00 0.00 O ATOM 972 CG2 THR A 68 -13.372 -10.863 10.950 1.00 0.00 C ATOM 0 H THR A 68 -10.904 -8.156 9.854 1.00 0.00 H new ATOM 0 HA THR A 68 -11.208 -10.905 9.550 1.00 0.00 H new ATOM 0 HB THR A 68 -13.438 -8.925 9.968 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.771 -8.743 12.188 1.00 0.00 H new ATOM 0 HG21 THR A 68 -14.077 -10.598 11.738 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.903 -11.367 10.142 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.610 -11.529 11.354 1.00 0.00 H new ATOM 980 N GLU A 69 -12.728 -9.148 7.212 1.00 0.00 N ATOM 981 CA GLU A 69 -13.490 -9.187 5.969 1.00 0.00 C ATOM 982 C GLU A 69 -12.625 -9.869 4.912 1.00 0.00 C ATOM 983 O GLU A 69 -13.075 -10.811 4.267 1.00 0.00 O ATOM 984 CB GLU A 69 -13.900 -7.752 5.558 1.00 0.00 C ATOM 985 CG GLU A 69 -14.724 -7.054 6.650 1.00 0.00 C ATOM 986 CD GLU A 69 -16.153 -7.568 6.810 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.765 -8.046 5.828 1.00 0.00 O ATOM 988 OE2 GLU A 69 -16.681 -7.390 7.936 1.00 0.00 O ATOM 0 H GLU A 69 -12.411 -8.208 7.450 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.413 -9.755 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.006 -7.165 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.479 -7.791 4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.205 -7.166 7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.760 -5.987 6.430 1.00 0.00 H new ATOM 995 N VAL A 70 -11.358 -9.459 4.792 1.00 0.00 N ATOM 996 CA VAL A 70 -10.391 -10.059 3.880 1.00 0.00 C ATOM 997 C VAL A 70 -10.247 -11.552 4.198 1.00 0.00 C ATOM 998 O VAL A 70 -10.317 -12.386 3.292 1.00 0.00 O ATOM 999 CB VAL A 70 -9.067 -9.265 3.964 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -7.951 -9.865 3.100 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.301 -7.817 3.506 1.00 0.00 C ATOM 0 H VAL A 70 -10.974 -8.687 5.337 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.726 -10.002 2.844 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.748 -9.308 5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.048 -9.263 3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.746 -10.884 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.264 -9.875 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.366 -7.261 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.659 -7.814 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.045 -7.347 4.150 1.00 0.00 H new ATOM 1011 N VAL A 71 -10.103 -11.905 5.477 1.00 0.00 N ATOM 1012 CA VAL A 71 -10.007 -13.289 5.934 1.00 0.00 C ATOM 1013 C VAL A 71 -11.259 -14.072 5.559 1.00 0.00 C ATOM 1014 O VAL A 71 -11.152 -15.218 5.121 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.761 -13.303 7.455 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.898 -14.685 8.120 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.351 -12.801 7.714 1.00 0.00 C ATOM 0 H VAL A 71 -10.049 -11.225 6.235 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.168 -13.779 5.440 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.533 -12.669 7.892 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.707 -14.595 9.189 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.907 -15.066 7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.177 -15.374 7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.155 -12.803 8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.635 -13.453 7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.249 -11.787 7.328 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.426 -13.462 5.739 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.724 -14.101 5.472 1.00 0.00 C ATOM 1029 C ASP A 72 -13.934 -14.362 3.987 1.00 0.00 C ATOM 1030 O ASP A 72 -14.574 -15.340 3.610 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.917 -13.313 6.044 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.697 -14.109 7.095 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -15.095 -14.879 7.881 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -16.931 -13.939 7.196 1.00 0.00 O ATOM 0 H ASP A 72 -12.506 -12.503 6.077 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.686 -15.057 5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.556 -12.386 6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.588 -13.036 5.231 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.371 -13.527 3.126 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.415 -13.708 1.684 1.00 0.00 C ATOM 1041 C ILE A 73 -12.398 -14.789 1.298 1.00 0.00 C ATOM 1042 O ILE A 73 -12.716 -15.686 0.519 1.00 0.00 O ATOM 1043 CB ILE A 73 -13.196 -12.335 1.028 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.349 -11.392 1.401 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -13.161 -12.420 -0.506 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.984 -9.925 1.202 1.00 0.00 C ATOM 0 H ILE A 73 -12.863 -12.691 3.415 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.378 -14.068 1.323 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.236 -11.966 1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -15.223 -11.632 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.628 -11.557 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.004 -11.425 -0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.347 -13.075 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -14.107 -12.820 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.832 -9.298 1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -13.128 -9.675 1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.731 -9.752 0.156 1.00 0.00 H new ATOM 1058 N LEU A 74 -11.210 -14.799 1.912 1.00 0.00 N ATOM 1059 CA LEU A 74 -10.247 -15.886 1.731 1.00 0.00 C ATOM 1060 C LEU A 74 -10.831 -17.222 2.229 1.00 0.00 C ATOM 1061 O LEU A 74 -10.459 -18.278 1.716 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.898 -15.586 2.414 1.00 0.00 C ATOM 1063 CG LEU A 74 -8.076 -14.383 1.903 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -7.025 -13.960 2.938 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.342 -14.665 0.587 1.00 0.00 C ATOM 0 H LEU A 74 -10.893 -14.062 2.541 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.052 -15.970 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.089 -15.432 3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.275 -16.476 2.328 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.804 -13.590 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.459 -13.111 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.522 -13.676 3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.347 -14.792 3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.784 -13.779 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.653 -15.498 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.067 -14.919 -0.187 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.757 -17.222 3.198 1.00 0.00 N ATOM 1078 CA LYS A 75 -12.488 -18.420 3.633 1.00 0.00 C ATOM 1079 C LYS A 75 -13.468 -18.906 2.568 1.00 0.00 C ATOM 1080 O LYS A 75 -13.686 -20.117 2.489 1.00 0.00 O ATOM 1081 CB LYS A 75 -13.239 -18.174 4.957 1.00 0.00 C ATOM 1082 CG LYS A 75 -12.320 -18.157 6.177 1.00 0.00 C ATOM 1083 CD LYS A 75 -12.857 -17.484 7.444 1.00 0.00 C ATOM 1084 CE LYS A 75 -14.022 -18.164 8.163 1.00 0.00 C ATOM 1085 NZ LYS A 75 -15.358 -17.680 7.766 1.00 0.00 N ATOM 0 H LYS A 75 -12.023 -16.379 3.708 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.741 -19.197 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.768 -17.223 4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.993 -18.950 5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.065 -19.188 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.393 -17.658 5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.033 -17.392 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.167 -16.472 7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.969 -19.237 7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.902 -18.020 9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.076 -18.080 8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.383 -16.642 7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.559 -17.977 6.790 1.00 0.00 H new ATOM 1099 N ASP A 76 -14.018 -18.022 1.740 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.906 -18.398 0.639 1.00 0.00 C ATOM 1101 C ASP A 76 -14.115 -18.967 -0.542 1.00 0.00 C ATOM 1102 O ASP A 76 -14.666 -19.739 -1.322 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.734 -17.180 0.210 1.00 0.00 C ATOM 1104 CG ASP A 76 -16.757 -17.468 -0.889 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.530 -18.449 -0.795 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -16.885 -16.617 -1.798 1.00 0.00 O ATOM 0 H ASP A 76 -13.860 -17.017 1.813 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.580 -19.182 0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.256 -16.786 1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.057 -16.399 -0.136 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.819 -18.655 -0.665 1.00 0.00 N ATOM 1112 CA CYS A 77 -11.989 -19.180 -1.750 1.00 0.00 C ATOM 1113 C CYS A 77 -11.936 -20.709 -1.692 1.00 0.00 C ATOM 1114 O CYS A 77 -11.680 -21.269 -0.623 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.571 -18.621 -1.685 1.00 0.00 C ATOM 1116 SG CYS A 77 -10.623 -16.862 -2.058 1.00 0.00 S ATOM 0 H CYS A 77 -12.323 -18.038 -0.022 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.443 -18.867 -2.690 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.146 -18.784 -0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.928 -19.139 -2.397 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.355 -16.252 -1.174 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.134 -21.395 -2.825 1.00 0.00 N ATOM 1123 CA PRO A 78 -11.991 -22.833 -2.925 1.00 0.00 C ATOM 1124 C PRO A 78 -10.574 -23.233 -2.540 1.00 0.00 C ATOM 1125 O PRO A 78 -9.583 -22.644 -2.983 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.325 -23.223 -4.366 1.00 0.00 C ATOM 1127 CG PRO A 78 -12.726 -21.917 -5.050 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.323 -20.799 -4.123 1.00 0.00 C ATOM 0 HA PRO A 78 -12.665 -23.354 -2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.467 -23.679 -4.860 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.136 -23.951 -4.399 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.229 -21.817 -6.015 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.799 -21.894 -5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.406 -20.320 -4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.092 -20.027 -4.088 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.492 -24.241 -1.687 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.241 -24.856 -1.300 1.00 0.00 C ATOM 1138 C ILE A 79 -8.761 -25.660 -2.510 1.00 0.00 C ATOM 1139 O ILE A 79 -9.350 -26.689 -2.844 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.425 -25.633 0.020 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.419 -24.662 1.228 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.360 -26.716 0.240 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -8.020 -24.268 1.719 1.00 0.00 C ATOM 0 H ILE A 79 -11.308 -24.659 -1.239 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.451 -24.144 -1.061 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.390 -26.134 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.962 -23.758 0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.963 -25.124 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.548 -27.224 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.402 -27.439 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.372 -26.255 0.265 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.110 -23.587 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.478 -25.162 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.477 -23.775 0.913 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.728 -25.156 -3.183 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.076 -25.830 -4.293 1.00 0.00 C ATOM 1157 C GLY A 80 -7.506 -25.325 -5.666 1.00 0.00 C ATOM 1158 O GLY A 80 -7.474 -26.118 -6.611 1.00 0.00 O ATOM 0 H GLY A 80 -7.316 -24.249 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.997 -25.709 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.284 -26.898 -4.229 1.00 0.00 H new ATOM 1162 N SER A 81 -7.887 -24.049 -5.794 1.00 0.00 N ATOM 1163 CA SER A 81 -8.142 -23.384 -7.072 1.00 0.00 C ATOM 1164 C SER A 81 -7.508 -21.989 -7.065 1.00 0.00 C ATOM 1165 O SER A 81 -7.135 -21.479 -5.998 1.00 0.00 O ATOM 1166 CB SER A 81 -9.652 -23.345 -7.335 1.00 0.00 C ATOM 1167 OG SER A 81 -10.127 -24.678 -7.416 1.00 0.00 O ATOM 0 H SER A 81 -8.029 -23.437 -4.990 1.00 0.00 H new ATOM 0 HA SER A 81 -7.683 -23.941 -7.889 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.162 -22.809 -6.535 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.862 -22.811 -8.262 1.00 0.00 H new ATOM 0 HG SER A 81 -11.093 -24.672 -7.583 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.348 -21.388 -8.249 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.754 -20.067 -8.385 1.00 0.00 C ATOM 1175 C GLU A 82 -7.610 -19.004 -7.685 1.00 0.00 C ATOM 1176 O GLU A 82 -8.842 -19.015 -7.732 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.530 -19.685 -9.862 1.00 0.00 C ATOM 1178 CG GLU A 82 -5.103 -19.936 -10.380 1.00 0.00 C ATOM 1179 CD GLU A 82 -4.781 -21.361 -10.819 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.697 -22.192 -10.984 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -3.582 -21.625 -11.077 1.00 0.00 O ATOM 0 H GLU A 82 -7.628 -21.809 -9.135 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.778 -20.106 -7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.230 -20.248 -10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.769 -18.629 -9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.924 -19.270 -11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.400 -19.653 -9.596 1.00 0.00 H new ATOM 1188 N THR A 83 -6.942 -18.025 -7.087 1.00 0.00 N ATOM 1189 CA THR A 83 -7.511 -16.820 -6.505 1.00 0.00 C ATOM 1190 C THR A 83 -6.686 -15.660 -7.054 1.00 0.00 C ATOM 1191 O THR A 83 -5.459 -15.765 -7.128 1.00 0.00 O ATOM 1192 CB THR A 83 -7.443 -16.940 -4.977 1.00 0.00 C ATOM 1193 OG1 THR A 83 -8.090 -18.142 -4.575 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.118 -15.751 -4.287 1.00 0.00 C ATOM 0 H THR A 83 -5.927 -18.055 -6.991 1.00 0.00 H new ATOM 0 HA THR A 83 -8.559 -16.663 -6.758 1.00 0.00 H new ATOM 0 HB THR A 83 -6.393 -16.951 -4.683 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.049 -18.225 -3.599 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.050 -15.871 -3.206 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.619 -14.828 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.166 -15.706 -4.582 1.00 0.00 H new ATOM 1202 N SER A 84 -7.344 -14.590 -7.485 1.00 0.00 N ATOM 1203 CA SER A 84 -6.761 -13.558 -8.318 1.00 0.00 C ATOM 1204 C SER A 84 -6.667 -12.304 -7.471 1.00 0.00 C ATOM 1205 O SER A 84 -7.638 -11.953 -6.801 1.00 0.00 O ATOM 1206 CB SER A 84 -7.667 -13.370 -9.531 1.00 0.00 C ATOM 1207 OG SER A 84 -7.816 -14.597 -10.229 1.00 0.00 O ATOM 0 H SER A 84 -8.323 -14.417 -7.256 1.00 0.00 H new ATOM 0 HA SER A 84 -5.764 -13.812 -8.679 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.643 -13.005 -9.211 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.246 -12.615 -10.195 1.00 0.00 H new ATOM 0 HG SER A 84 -8.401 -14.464 -11.004 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.492 -11.684 -7.411 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.184 -10.643 -6.444 1.00 0.00 C ATOM 1215 C LEU A 85 -4.615 -9.446 -7.197 1.00 0.00 C ATOM 1216 O LEU A 85 -3.752 -9.619 -8.052 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.145 -11.152 -5.424 1.00 0.00 C ATOM 1218 CG LEU A 85 -4.734 -11.829 -4.172 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.447 -13.156 -4.449 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -3.618 -12.073 -3.154 1.00 0.00 C ATOM 0 H LEU A 85 -4.719 -11.896 -8.042 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.088 -10.361 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.485 -11.861 -5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.528 -10.311 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.490 -11.143 -3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.831 -13.565 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.274 -12.988 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.744 -13.862 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.033 -12.552 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.859 -12.720 -3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.166 -11.121 -2.874 1.00 0.00 H new ATOM 1232 N ILE A 86 -5.035 -8.236 -6.846 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.467 -6.979 -7.321 1.00 0.00 C ATOM 1234 C ILE A 86 -3.802 -6.347 -6.104 1.00 0.00 C ATOM 1235 O ILE A 86 -4.423 -6.278 -5.033 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.522 -6.061 -7.967 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.345 -6.867 -8.994 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.823 -4.871 -8.642 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -7.164 -6.043 -9.982 1.00 0.00 C ATOM 0 H ILE A 86 -5.810 -8.098 -6.198 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.744 -7.148 -8.119 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.198 -5.678 -7.203 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.663 -7.504 -9.558 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.022 -7.527 -8.451 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.570 -4.222 -9.099 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.261 -4.309 -7.897 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.142 -5.237 -9.410 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.701 -6.711 -10.655 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.878 -5.426 -9.437 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.499 -5.402 -10.561 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.545 -5.928 -6.243 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.771 -5.313 -5.177 1.00 0.00 C ATOM 1253 C ILE A 87 -1.145 -4.012 -5.679 1.00 0.00 C ATOM 1254 O ILE A 87 -0.777 -3.894 -6.851 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.750 -6.306 -4.555 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.384 -6.736 -5.513 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.460 -7.548 -3.991 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.629 -5.866 -5.340 1.00 0.00 C ATOM 0 H ILE A 87 -2.030 -6.010 -7.120 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.436 -5.051 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.273 -5.753 -3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.640 -7.779 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.035 -6.671 -6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.722 -8.226 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.166 -7.244 -3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.996 -8.056 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.404 -6.199 -6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.378 -4.826 -5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.994 -5.952 -4.316 1.00 0.00 H new ATOM 1270 N HIS A 88 -1.029 -3.014 -4.801 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.487 -1.718 -5.186 1.00 0.00 C ATOM 1272 C HIS A 88 1.032 -1.814 -5.317 1.00 0.00 C ATOM 1273 O HIS A 88 1.751 -1.789 -4.318 1.00 0.00 O ATOM 1274 CB HIS A 88 -0.954 -0.598 -4.234 1.00 0.00 C ATOM 1275 CG HIS A 88 -0.829 0.805 -4.797 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -0.202 1.184 -5.959 1.00 0.00 N flip ATOM 1277 CD2 HIS A 88 -1.463 1.923 -4.298 1.00 0.00 C flip ATOM 1278 CE1 HIS A 88 -0.419 2.551 -6.145 1.00 0.00 C flip ATOM 1279 NE2 HIS A 88 -1.212 2.946 -5.133 1.00 0.00 N flip ATOM 0 H HIS A 88 -1.304 -3.082 -3.821 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.880 -1.440 -6.164 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.996 -0.777 -3.968 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.375 -0.658 -3.312 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.056 1.969 -3.396 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.029 3.167 -6.941 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -1.574 3.892 -5.015 1.00 0.00 H new ATOM 1287 N ARG A 89 1.532 -1.943 -6.548 1.00 0.00 N ATOM 1288 CA ARG A 89 2.952 -1.898 -6.880 1.00 0.00 C ATOM 1289 C ARG A 89 3.081 -1.400 -8.316 1.00 0.00 C ATOM 1290 O ARG A 89 2.189 -1.641 -9.131 1.00 0.00 O ATOM 1291 CB ARG A 89 3.533 -3.306 -6.673 1.00 0.00 C ATOM 1292 CG ARG A 89 5.057 -3.431 -6.842 1.00 0.00 C ATOM 1293 CD ARG A 89 5.651 -4.465 -5.868 1.00 0.00 C ATOM 1294 NE ARG A 89 5.554 -3.977 -4.484 1.00 0.00 N ATOM 1295 CZ ARG A 89 6.077 -4.511 -3.379 1.00 0.00 C ATOM 1296 NH1 ARG A 89 6.783 -5.638 -3.419 1.00 0.00 N ATOM 1297 NH2 ARG A 89 5.880 -3.858 -2.243 1.00 0.00 N ATOM 0 H ARG A 89 0.938 -2.086 -7.365 1.00 0.00 H new ATOM 0 HA ARG A 89 3.514 -1.215 -6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.268 -3.645 -5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.051 -3.985 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.288 -3.721 -7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.524 -2.461 -6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.121 -5.412 -5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.694 -4.656 -6.121 1.00 0.00 H new ATOM 0 HE ARG A 89 5.018 -3.120 -4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.935 -6.114 -4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.173 -6.026 -2.560 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.348 -2.988 -2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.260 -4.226 -1.371 1.00 0.00 H new ATOM 1311 N GLY A 90 4.170 -0.700 -8.605 1.00 0.00 N ATOM 1312 CA GLY A 90 4.439 0.023 -9.837 1.00 0.00 C ATOM 1313 C GLY A 90 5.934 0.304 -9.914 1.00 0.00 C ATOM 1314 O GLY A 90 6.699 -0.218 -9.101 1.00 0.00 O ATOM 0 H GLY A 90 4.939 -0.618 -7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.119 -0.563 -10.698 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.876 0.956 -9.860 1.00 0.00 H new ATOM 1318 N SER A 91 6.368 1.078 -10.904 1.00 0.00 N ATOM 1319 CA SER A 91 7.782 1.265 -11.175 1.00 0.00 C ATOM 1320 C SER A 91 8.463 2.074 -10.069 1.00 0.00 C ATOM 1321 O SER A 91 8.205 3.269 -9.904 1.00 0.00 O ATOM 1322 CB SER A 91 7.973 1.912 -12.551 1.00 0.00 C ATOM 1323 OG SER A 91 8.884 1.153 -13.324 1.00 0.00 O ATOM 0 H SER A 91 5.751 1.589 -11.535 1.00 0.00 H new ATOM 0 HA SER A 91 8.263 0.287 -11.189 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.015 1.979 -13.066 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.344 2.930 -12.434 1.00 0.00 H new ATOM 0 HG SER A 91 8.998 1.574 -14.202 1.00 0.00 H new ATOM 1329 N GLY A 92 9.378 1.428 -9.349 1.00 0.00 N ATOM 1330 CA GLY A 92 10.370 2.080 -8.513 1.00 0.00 C ATOM 1331 C GLY A 92 10.113 1.905 -7.023 1.00 0.00 C ATOM 1332 O GLY A 92 9.079 1.365 -6.615 1.00 0.00 O ATOM 0 H GLY A 92 9.447 0.410 -9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.356 1.682 -8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.390 3.144 -8.748 1.00 0.00 H new ATOM 1336 N PRO A 93 11.052 2.372 -6.189 1.00 0.00 N ATOM 1337 CA PRO A 93 10.843 2.485 -4.760 1.00 0.00 C ATOM 1338 C PRO A 93 9.752 3.537 -4.560 1.00 0.00 C ATOM 1339 O PRO A 93 9.903 4.683 -4.998 1.00 0.00 O ATOM 1340 CB PRO A 93 12.205 2.872 -4.189 1.00 0.00 C ATOM 1341 CG PRO A 93 12.899 3.618 -5.326 1.00 0.00 C ATOM 1342 CD PRO A 93 12.294 3.016 -6.589 1.00 0.00 C ATOM 0 HA PRO A 93 10.505 1.580 -4.255 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.100 3.503 -3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 93 12.773 1.992 -3.887 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.716 4.691 -5.269 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.979 3.476 -5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.107 3.788 -7.335 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.976 2.295 -7.040 1.00 0.00 H new ATOM 1350 N SER A 94 8.616 3.127 -4.000 1.00 0.00 N ATOM 1351 CA SER A 94 7.401 3.924 -3.990 1.00 0.00 C ATOM 1352 C SER A 94 6.662 3.588 -2.697 1.00 0.00 C ATOM 1353 O SER A 94 6.569 4.439 -1.809 1.00 0.00 O ATOM 1354 CB SER A 94 6.618 3.636 -5.283 1.00 0.00 C ATOM 1355 OG SER A 94 5.628 4.606 -5.566 1.00 0.00 O ATOM 0 H SER A 94 8.517 2.223 -3.537 1.00 0.00 H new ATOM 0 HA SER A 94 7.577 5.000 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.316 3.585 -6.119 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.145 2.657 -5.203 1.00 0.00 H new ATOM 0 HG SER A 94 5.167 4.370 -6.398 1.00 0.00 H new ATOM 1361 N SER A 95 6.232 2.337 -2.524 1.00 0.00 N ATOM 1362 CA SER A 95 6.048 1.783 -1.194 1.00 0.00 C ATOM 1363 C SER A 95 7.417 1.343 -0.662 1.00 0.00 C ATOM 1364 O SER A 95 8.317 1.021 -1.448 1.00 0.00 O ATOM 1365 CB SER A 95 5.151 0.545 -1.274 1.00 0.00 C ATOM 1366 OG SER A 95 3.901 0.785 -1.910 1.00 0.00 O ATOM 0 H SER A 95 6.008 1.697 -3.286 1.00 0.00 H new ATOM 0 HA SER A 95 5.594 2.531 -0.544 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.679 -0.241 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.970 0.172 -0.266 1.00 0.00 H new ATOM 0 HG SER A 95 3.379 -0.044 -1.929 1.00 0.00 H new ATOM 1372 N GLY A 96 7.520 1.198 0.658 1.00 0.00 N ATOM 1373 CA GLY A 96 8.631 0.539 1.317 1.00 0.00 C ATOM 1374 C GLY A 96 9.883 1.392 1.276 1.00 0.00 C ATOM 1375 O GLY A 96 9.802 2.557 1.714 1.00 0.00 O ATOM 0 H GLY A 96 6.814 1.545 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.367 0.327 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.826 -0.419 0.835 1.00 0.00 H new TER 1379 GLY A 96