USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 753 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 38 SER OG : rot -129:sc= 1.22 USER MOD Set 1.2: A 85 GLN : amide:sc= -1.42 K(o=-0.2,f=-3.2!) USER MOD Set 2.1: A 21 THR OG1 : rot 136:sc= 0.409 USER MOD Set 2.2: A 95 LYS NZ :NH3+ 180:sc= 0.434 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= 0.775 K(o=0.77,f=-2.4!) USER MOD Single : A 3 MET CE :methyl 157:sc= -0.0123 (180deg=-0.422) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 153:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.0209 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-1.4) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0245 USER MOD Single : A 27 SER OG : rot -13:sc= 0.838 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 40:sc= 0.131 USER MOD Single : A 37 THR OG1 : rot 69:sc= 1.28 USER MOD Single : A 39 TYR OH : rot -62:sc= 0.653 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.5) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 37:sc= 0.359 USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.163) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc=-0.00618 X(o=-0.0062,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.103 USER MOD Single : A 60 HIS : no HD1:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.103 X(o=0.1,f=-0.0017) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0201 USER MOD Single : A 68 TYR OH : rot 30:sc= -1.62 USER MOD Single : A 71 ASN : amide:sc= 0.0981 K(o=0.098,f=-0.9) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc=0.000226 USER MOD Single : A 90 LYS NZ :NH3+ 139:sc= 0.643 (180deg=-0.000208) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0.29 K(o=0.29,f=-1.7!) USER MOD Single : A 101 LYS NZ :NH3+ 175:sc= -0.701 (180deg=-0.809) USER MOD Single : A 102 THR OG1 : rot 52:sc= -0.72 USER MOD Single : A 103 SER OG : rot 180:sc= -0.013 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.502 13.596 -5.908 1.00 0.00 N ATOM 2 CA GLY A 1 -34.661 12.985 -7.233 1.00 0.00 C ATOM 3 C GLY A 1 -35.233 11.588 -7.079 1.00 0.00 C ATOM 4 O GLY A 1 -36.305 11.449 -6.499 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.110 14.554 -6.012 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.428 13.650 -5.437 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.855 13.018 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.322 13.594 -7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.699 12.942 -7.743 1.00 0.00 H new ATOM 8 N HIS A 2 -34.531 10.569 -7.575 1.00 0.00 N ATOM 9 CA HIS A 2 -34.875 9.156 -7.480 1.00 0.00 C ATOM 10 C HIS A 2 -33.618 8.361 -7.094 1.00 0.00 C ATOM 11 O HIS A 2 -32.555 8.946 -6.861 1.00 0.00 O ATOM 12 CB HIS A 2 -35.489 8.680 -8.811 1.00 0.00 C ATOM 13 CG HIS A 2 -34.490 8.493 -9.932 1.00 0.00 C ATOM 14 ND1 HIS A 2 -34.002 7.284 -10.376 1.00 0.00 N ATOM 15 CD2 HIS A 2 -33.882 9.479 -10.665 1.00 0.00 C ATOM 16 CE1 HIS A 2 -33.111 7.536 -11.347 1.00 0.00 C ATOM 17 NE2 HIS A 2 -32.995 8.860 -11.555 1.00 0.00 N ATOM 0 H HIS A 2 -33.659 10.719 -8.082 1.00 0.00 H new ATOM 0 HA HIS A 2 -35.624 8.992 -6.706 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -36.006 7.736 -8.641 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -36.241 9.402 -9.128 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -34.270 6.363 -10.029 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -34.056 10.541 -10.573 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -32.562 6.779 -11.888 1.00 0.00 H new ATOM 25 N MET A 3 -33.733 7.033 -7.051 1.00 0.00 N ATOM 26 CA MET A 3 -32.626 6.085 -6.968 1.00 0.00 C ATOM 27 C MET A 3 -32.782 5.100 -8.132 1.00 0.00 C ATOM 28 O MET A 3 -33.861 5.026 -8.728 1.00 0.00 O ATOM 29 CB MET A 3 -32.663 5.362 -5.611 1.00 0.00 C ATOM 30 CG MET A 3 -32.297 6.284 -4.439 1.00 0.00 C ATOM 31 SD MET A 3 -32.568 5.587 -2.781 1.00 0.00 S ATOM 32 CE MET A 3 -31.564 4.081 -2.867 1.00 0.00 C ATOM 0 H MET A 3 -34.642 6.570 -7.074 1.00 0.00 H new ATOM 0 HA MET A 3 -31.663 6.590 -7.040 1.00 0.00 H new ATOM 0 HB2 MET A 3 -33.660 4.953 -5.449 1.00 0.00 H new ATOM 0 HB3 MET A 3 -31.973 4.519 -5.634 1.00 0.00 H new ATOM 0 HG2 MET A 3 -31.247 6.560 -4.531 1.00 0.00 H new ATOM 0 HG3 MET A 3 -32.877 7.203 -4.527 1.00 0.00 H new ATOM 0 HE1 MET A 3 -31.292 3.767 -1.859 1.00 0.00 H new ATOM 0 HE2 MET A 3 -32.136 3.290 -3.351 1.00 0.00 H new ATOM 0 HE3 MET A 3 -30.660 4.279 -3.442 1.00 0.00 H new ATOM 42 N GLY A 4 -31.730 4.350 -8.460 1.00 0.00 N ATOM 43 CA GLY A 4 -31.702 3.414 -9.582 1.00 0.00 C ATOM 44 C GLY A 4 -30.414 3.486 -10.405 1.00 0.00 C ATOM 45 O GLY A 4 -30.383 2.944 -11.507 1.00 0.00 O ATOM 0 H GLY A 4 -30.853 4.378 -7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -31.825 2.400 -9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -32.552 3.615 -10.234 1.00 0.00 H new ATOM 49 N SER A 5 -29.374 4.174 -9.928 1.00 0.00 N ATOM 50 CA SER A 5 -28.080 4.207 -10.599 1.00 0.00 C ATOM 51 C SER A 5 -27.266 2.950 -10.247 1.00 0.00 C ATOM 52 O SER A 5 -27.505 2.340 -9.197 1.00 0.00 O ATOM 53 CB SER A 5 -27.339 5.475 -10.162 1.00 0.00 C ATOM 54 OG SER A 5 -28.055 6.627 -10.570 1.00 0.00 O ATOM 0 H SER A 5 -29.409 4.721 -9.068 1.00 0.00 H new ATOM 0 HA SER A 5 -28.219 4.221 -11.680 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.217 5.479 -9.079 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.339 5.488 -10.595 1.00 0.00 H new ATOM 0 HG SER A 5 -27.573 7.431 -10.284 1.00 0.00 H new ATOM 60 N PRO A 6 -26.261 2.579 -11.061 1.00 0.00 N ATOM 61 CA PRO A 6 -25.331 1.510 -10.718 1.00 0.00 C ATOM 62 C PRO A 6 -24.407 1.934 -9.573 1.00 0.00 C ATOM 63 O PRO A 6 -24.366 3.104 -9.172 1.00 0.00 O ATOM 64 CB PRO A 6 -24.548 1.227 -12.004 1.00 0.00 C ATOM 65 CG PRO A 6 -24.554 2.574 -12.714 1.00 0.00 C ATOM 66 CD PRO A 6 -25.936 3.128 -12.371 1.00 0.00 C ATOM 0 HA PRO A 6 -25.847 0.617 -10.364 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.534 0.887 -11.792 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -25.025 0.452 -12.604 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -23.756 3.225 -12.355 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -24.417 2.465 -13.790 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -25.928 4.218 -12.349 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -26.674 2.830 -13.116 1.00 0.00 H new ATOM 74 N VAL A 7 -23.634 0.977 -9.062 1.00 0.00 N ATOM 75 CA VAL A 7 -22.534 1.236 -8.149 1.00 0.00 C ATOM 76 C VAL A 7 -21.499 2.135 -8.839 1.00 0.00 C ATOM 77 O VAL A 7 -21.294 2.045 -10.049 1.00 0.00 O ATOM 78 CB VAL A 7 -21.961 -0.109 -7.637 1.00 0.00 C ATOM 79 CG1 VAL A 7 -21.570 -1.082 -8.756 1.00 0.00 C ATOM 80 CG2 VAL A 7 -20.772 0.070 -6.689 1.00 0.00 C ATOM 0 H VAL A 7 -23.760 -0.012 -9.277 1.00 0.00 H new ATOM 0 HA VAL A 7 -22.873 1.780 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 7 -22.791 -0.549 -7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -21.177 -2.000 -8.319 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -22.447 -1.314 -9.360 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -20.807 -0.625 -9.386 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -20.415 -0.907 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -19.970 0.596 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -21.084 0.649 -5.820 1.00 0.00 H new ATOM 90 N SER A 8 -20.812 2.969 -8.058 1.00 0.00 N ATOM 91 CA SER A 8 -19.666 3.747 -8.500 1.00 0.00 C ATOM 92 C SER A 8 -18.561 3.573 -7.470 1.00 0.00 C ATOM 93 O SER A 8 -18.781 3.833 -6.283 1.00 0.00 O ATOM 94 CB SER A 8 -20.040 5.223 -8.614 1.00 0.00 C ATOM 95 OG SER A 8 -21.175 5.420 -9.437 1.00 0.00 O ATOM 0 H SER A 8 -21.047 3.122 -7.077 1.00 0.00 H new ATOM 0 HA SER A 8 -19.335 3.404 -9.480 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.239 5.625 -7.620 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.196 5.781 -9.020 1.00 0.00 H new ATOM 0 HG SER A 8 -21.383 6.376 -9.483 1.00 0.00 H new ATOM 101 N TYR A 9 -17.383 3.121 -7.897 1.00 0.00 N ATOM 102 CA TYR A 9 -16.210 3.089 -7.034 1.00 0.00 C ATOM 103 C TYR A 9 -15.474 4.423 -7.138 1.00 0.00 C ATOM 104 O TYR A 9 -15.568 5.135 -8.145 1.00 0.00 O ATOM 105 CB TYR A 9 -15.312 1.892 -7.373 1.00 0.00 C ATOM 106 CG TYR A 9 -15.728 0.589 -6.705 1.00 0.00 C ATOM 107 CD1 TYR A 9 -17.018 0.053 -6.892 1.00 0.00 C ATOM 108 CD2 TYR A 9 -14.820 -0.095 -5.877 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.393 -1.169 -6.298 1.00 0.00 C ATOM 110 CE2 TYR A 9 -15.160 -1.341 -5.331 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.447 -1.886 -5.530 1.00 0.00 C ATOM 112 OH TYR A 9 -16.776 -3.061 -4.937 1.00 0.00 O ATOM 0 H TYR A 9 -17.218 2.771 -8.841 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.518 2.953 -5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -15.310 1.748 -8.454 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.288 2.126 -7.081 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -17.732 0.588 -7.501 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -13.856 0.342 -5.661 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.394 -1.554 -6.428 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.431 -1.889 -4.753 1.00 0.00 H new ATOM 0 HH TYR A 9 -15.972 -3.613 -4.836 1.00 0.00 H new ATOM 122 N TYR A 10 -14.726 4.740 -6.087 1.00 0.00 N ATOM 123 CA TYR A 10 -13.969 5.961 -5.892 1.00 0.00 C ATOM 124 C TYR A 10 -12.540 5.519 -5.570 1.00 0.00 C ATOM 125 O TYR A 10 -12.329 4.758 -4.618 1.00 0.00 O ATOM 126 CB TYR A 10 -14.598 6.785 -4.758 1.00 0.00 C ATOM 127 CG TYR A 10 -15.916 7.480 -5.085 1.00 0.00 C ATOM 128 CD1 TYR A 10 -17.107 6.754 -5.314 1.00 0.00 C ATOM 129 CD2 TYR A 10 -15.957 8.887 -5.108 1.00 0.00 C ATOM 130 CE1 TYR A 10 -18.310 7.427 -5.610 1.00 0.00 C ATOM 131 CE2 TYR A 10 -17.146 9.568 -5.399 1.00 0.00 C ATOM 132 CZ TYR A 10 -18.322 8.839 -5.667 1.00 0.00 C ATOM 133 OH TYR A 10 -19.476 9.509 -5.913 1.00 0.00 O ATOM 0 H TYR A 10 -14.629 4.103 -5.296 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.972 6.604 -6.772 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.760 6.127 -3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.879 7.542 -4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -17.095 5.675 -5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -15.059 9.449 -4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.216 6.868 -5.792 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.161 10.648 -5.418 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.300 10.473 -5.916 1.00 0.00 H new ATOM 143 N PHE A 11 -11.577 5.899 -6.414 1.00 0.00 N ATOM 144 CA PHE A 11 -10.230 5.341 -6.417 1.00 0.00 C ATOM 145 C PHE A 11 -9.222 6.391 -6.902 1.00 0.00 C ATOM 146 O PHE A 11 -8.595 6.241 -7.947 1.00 0.00 O ATOM 147 CB PHE A 11 -10.215 4.021 -7.230 1.00 0.00 C ATOM 148 CG PHE A 11 -10.744 4.073 -8.655 1.00 0.00 C ATOM 149 CD1 PHE A 11 -12.127 3.975 -8.900 1.00 0.00 C ATOM 150 CD2 PHE A 11 -9.857 4.181 -9.745 1.00 0.00 C ATOM 151 CE1 PHE A 11 -12.620 4.026 -10.215 1.00 0.00 C ATOM 152 CE2 PHE A 11 -10.349 4.228 -11.060 1.00 0.00 C ATOM 153 CZ PHE A 11 -11.731 4.156 -11.296 1.00 0.00 C ATOM 0 H PHE A 11 -11.718 6.616 -7.125 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.920 5.081 -5.405 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.188 3.658 -7.265 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.797 3.280 -6.681 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.812 3.860 -8.073 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.793 4.228 -9.568 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.683 3.965 -10.395 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.664 4.320 -11.890 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.110 4.200 -12.306 1.00 0.00 H new ATOM 163 N SER A 12 -9.013 7.437 -6.108 1.00 0.00 N ATOM 164 CA SER A 12 -8.148 8.577 -6.428 1.00 0.00 C ATOM 165 C SER A 12 -7.614 9.180 -5.125 1.00 0.00 C ATOM 166 O SER A 12 -7.717 8.512 -4.083 1.00 0.00 O ATOM 167 CB SER A 12 -8.951 9.560 -7.306 1.00 0.00 C ATOM 168 OG SER A 12 -10.293 9.635 -6.850 1.00 0.00 O ATOM 0 H SER A 12 -9.454 7.521 -5.192 1.00 0.00 H new ATOM 0 HA SER A 12 -7.270 8.285 -7.004 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.492 10.548 -7.273 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.929 9.233 -8.345 1.00 0.00 H new ATOM 0 HG SER A 12 -10.795 10.262 -7.412 1.00 0.00 H new ATOM 174 N TYR A 13 -6.978 10.359 -5.161 1.00 0.00 N ATOM 175 CA TYR A 13 -6.745 11.074 -3.917 1.00 0.00 C ATOM 176 C TYR A 13 -8.066 11.752 -3.517 1.00 0.00 C ATOM 177 O TYR A 13 -8.958 11.067 -3.030 1.00 0.00 O ATOM 178 CB TYR A 13 -5.610 12.102 -4.129 1.00 0.00 C ATOM 179 CG TYR A 13 -4.235 11.593 -3.762 1.00 0.00 C ATOM 180 CD1 TYR A 13 -3.875 11.444 -2.410 1.00 0.00 C ATOM 181 CD2 TYR A 13 -3.315 11.244 -4.763 1.00 0.00 C ATOM 182 CE1 TYR A 13 -2.658 10.839 -2.053 1.00 0.00 C ATOM 183 CE2 TYR A 13 -2.072 10.686 -4.415 1.00 0.00 C ATOM 184 CZ TYR A 13 -1.770 10.416 -3.065 1.00 0.00 C ATOM 185 OH TYR A 13 -0.668 9.681 -2.766 1.00 0.00 O ATOM 0 H TYR A 13 -6.631 10.816 -6.004 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.433 10.403 -3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.604 12.409 -5.175 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.826 12.991 -3.537 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.542 11.799 -1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.562 11.404 -5.802 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.404 10.699 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.347 10.464 -5.184 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.175 9.480 -3.589 1.00 0.00 H new ATOM 195 N ALA A 14 -8.303 12.981 -3.957 1.00 0.00 N ATOM 196 CA ALA A 14 -9.552 13.715 -3.784 1.00 0.00 C ATOM 197 C ALA A 14 -9.609 14.920 -4.722 1.00 0.00 C ATOM 198 O ALA A 14 -10.653 15.184 -5.314 1.00 0.00 O ATOM 199 CB ALA A 14 -9.673 14.203 -2.332 1.00 0.00 C ATOM 0 H ALA A 14 -7.601 13.517 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.377 13.043 -4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.607 14.750 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.663 13.346 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.835 14.859 -2.098 1.00 0.00 H new ATOM 205 N ASP A 15 -8.500 15.648 -4.875 1.00 0.00 N ATOM 206 CA ASP A 15 -8.384 16.828 -5.709 1.00 0.00 C ATOM 207 C ASP A 15 -7.559 16.385 -6.893 1.00 0.00 C ATOM 208 O ASP A 15 -6.358 16.628 -7.019 1.00 0.00 O ATOM 209 CB ASP A 15 -7.772 18.065 -5.039 1.00 0.00 C ATOM 210 CG ASP A 15 -7.952 19.293 -5.952 1.00 0.00 C ATOM 211 OD1 ASP A 15 -8.423 19.161 -7.108 1.00 0.00 O ATOM 212 OD2 ASP A 15 -7.751 20.442 -5.492 1.00 0.00 O ATOM 0 H ASP A 15 -7.629 15.415 -4.399 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.383 17.176 -5.972 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.250 18.243 -4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.713 17.898 -4.843 1.00 0.00 H new ATOM 217 N GLY A 16 -8.235 15.636 -7.740 1.00 0.00 N ATOM 218 CA GLY A 16 -7.976 15.671 -9.154 1.00 0.00 C ATOM 219 C GLY A 16 -6.730 14.904 -9.558 1.00 0.00 C ATOM 220 O GLY A 16 -6.172 15.146 -10.631 1.00 0.00 O ATOM 0 H GLY A 16 -8.975 14.991 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.835 15.259 -9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.874 16.709 -9.472 1.00 0.00 H new ATOM 224 N GLY A 17 -6.280 13.965 -8.733 1.00 0.00 N ATOM 225 CA GLY A 17 -5.032 13.285 -8.961 1.00 0.00 C ATOM 226 C GLY A 17 -4.998 11.903 -8.360 1.00 0.00 C ATOM 227 O GLY A 17 -5.854 11.498 -7.568 1.00 0.00 O ATOM 0 H GLY A 17 -6.775 13.662 -7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.854 13.213 -10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.219 13.878 -8.542 1.00 0.00 H new ATOM 231 N THR A 18 -3.947 11.198 -8.743 1.00 0.00 N ATOM 232 CA THR A 18 -3.645 9.835 -8.353 1.00 0.00 C ATOM 233 C THR A 18 -2.166 9.698 -7.989 1.00 0.00 C ATOM 234 O THR A 18 -1.655 8.585 -7.886 1.00 0.00 O ATOM 235 CB THR A 18 -4.110 8.858 -9.457 1.00 0.00 C ATOM 236 OG1 THR A 18 -3.965 9.399 -10.761 1.00 0.00 O ATOM 237 CG2 THR A 18 -5.582 8.503 -9.256 1.00 0.00 C ATOM 0 H THR A 18 -3.242 11.586 -9.370 1.00 0.00 H new ATOM 0 HA THR A 18 -4.199 9.571 -7.452 1.00 0.00 H new ATOM 0 HB THR A 18 -3.476 7.975 -9.374 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.270 8.744 -11.423 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.900 7.814 -10.039 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.713 8.031 -8.282 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.185 9.410 -9.304 1.00 0.00 H new ATOM 245 N SER A 19 -1.437 10.798 -7.796 1.00 0.00 N ATOM 246 CA SER A 19 -0.016 10.720 -7.558 1.00 0.00 C ATOM 247 C SER A 19 0.513 11.896 -6.746 1.00 0.00 C ATOM 248 O SER A 19 0.371 13.051 -7.160 1.00 0.00 O ATOM 249 CB SER A 19 0.668 10.649 -8.911 1.00 0.00 C ATOM 250 OG SER A 19 0.080 11.409 -9.964 1.00 0.00 O ATOM 0 H SER A 19 -1.816 11.745 -7.802 1.00 0.00 H new ATOM 0 HA SER A 19 0.197 9.833 -6.962 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.700 10.978 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.701 9.605 -9.222 1.00 0.00 H new ATOM 0 HG SER A 19 0.602 11.290 -10.785 1.00 0.00 H new ATOM 256 N HIS A 20 1.199 11.595 -5.646 1.00 0.00 N ATOM 257 CA HIS A 20 1.858 12.574 -4.782 1.00 0.00 C ATOM 258 C HIS A 20 3.376 12.478 -4.934 1.00 0.00 C ATOM 259 O HIS A 20 3.912 11.415 -5.269 1.00 0.00 O ATOM 260 CB HIS A 20 1.468 12.344 -3.315 1.00 0.00 C ATOM 261 CG HIS A 20 0.292 13.168 -2.847 1.00 0.00 C ATOM 262 ND1 HIS A 20 -0.824 13.526 -3.577 1.00 0.00 N ATOM 263 CD2 HIS A 20 0.167 13.722 -1.600 1.00 0.00 C ATOM 264 CE1 HIS A 20 -1.606 14.271 -2.778 1.00 0.00 C ATOM 265 NE2 HIS A 20 -1.041 14.429 -1.567 1.00 0.00 N ATOM 0 H HIS A 20 1.316 10.635 -5.321 1.00 0.00 H new ATOM 0 HA HIS A 20 1.532 13.570 -5.082 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.236 11.288 -3.174 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.328 12.568 -2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.873 13.630 -0.788 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.559 14.687 -3.068 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.418 14.959 -0.781 1.00 0.00 H new ATOM 273 N THR A 21 4.052 13.593 -4.674 1.00 0.00 N ATOM 274 CA THR A 21 5.496 13.755 -4.652 1.00 0.00 C ATOM 275 C THR A 21 5.781 14.809 -3.571 1.00 0.00 C ATOM 276 O THR A 21 5.021 15.777 -3.461 1.00 0.00 O ATOM 277 CB THR A 21 5.973 14.223 -6.046 1.00 0.00 C ATOM 278 OG1 THR A 21 5.476 13.396 -7.082 1.00 0.00 O ATOM 279 CG2 THR A 21 7.484 14.228 -6.228 1.00 0.00 C ATOM 0 H THR A 21 3.569 14.465 -4.459 1.00 0.00 H new ATOM 0 HA THR A 21 6.024 12.828 -4.427 1.00 0.00 H new ATOM 0 HB THR A 21 5.589 15.241 -6.104 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.157 13.954 -7.822 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.728 14.570 -7.234 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.936 14.899 -5.497 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.871 13.219 -6.083 1.00 0.00 H new ATOM 287 N GLU A 22 6.869 14.682 -2.811 1.00 0.00 N ATOM 288 CA GLU A 22 7.348 15.722 -1.896 1.00 0.00 C ATOM 289 C GLU A 22 8.858 15.872 -2.032 1.00 0.00 C ATOM 290 O GLU A 22 9.535 14.902 -2.389 1.00 0.00 O ATOM 291 CB GLU A 22 6.960 15.381 -0.450 1.00 0.00 C ATOM 292 CG GLU A 22 6.924 16.620 0.463 1.00 0.00 C ATOM 293 CD GLU A 22 5.535 16.809 1.069 1.00 0.00 C ATOM 294 OE1 GLU A 22 4.584 17.070 0.293 1.00 0.00 O ATOM 295 OE2 GLU A 22 5.355 16.617 2.290 1.00 0.00 O ATOM 0 H GLU A 22 7.451 13.844 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 22 6.879 16.671 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.981 14.902 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.671 14.659 -0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.661 16.512 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.200 17.506 -0.109 1.00 0.00 H new ATOM 302 N TYR A 23 9.382 17.066 -1.753 1.00 0.00 N ATOM 303 CA TYR A 23 10.794 17.375 -1.897 1.00 0.00 C ATOM 304 C TYR A 23 11.277 18.123 -0.645 1.00 0.00 C ATOM 305 O TYR A 23 11.540 19.326 -0.740 1.00 0.00 O ATOM 306 CB TYR A 23 11.017 18.194 -3.178 1.00 0.00 C ATOM 307 CG TYR A 23 10.632 17.518 -4.478 1.00 0.00 C ATOM 308 CD1 TYR A 23 9.323 17.637 -4.983 1.00 0.00 C ATOM 309 CD2 TYR A 23 11.606 16.820 -5.211 1.00 0.00 C ATOM 310 CE1 TYR A 23 9.001 17.094 -6.239 1.00 0.00 C ATOM 311 CE2 TYR A 23 11.295 16.266 -6.463 1.00 0.00 C ATOM 312 CZ TYR A 23 9.991 16.413 -6.987 1.00 0.00 C ATOM 313 OH TYR A 23 9.666 15.868 -8.189 1.00 0.00 O ATOM 0 H TYR A 23 8.825 17.852 -1.417 1.00 0.00 H new ATOM 0 HA TYR A 23 11.376 16.458 -1.988 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.452 19.122 -3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.071 18.466 -3.232 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.566 18.146 -4.405 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.602 16.709 -4.808 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.000 17.196 -6.632 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.048 15.731 -7.022 1.00 0.00 H new ATOM 0 HH TYR A 23 10.456 15.437 -8.577 1.00 0.00 H new ATOM 323 N PRO A 24 11.330 17.483 0.539 1.00 0.00 N ATOM 324 CA PRO A 24 11.766 18.145 1.765 1.00 0.00 C ATOM 325 C PRO A 24 13.249 18.531 1.714 1.00 0.00 C ATOM 326 O PRO A 24 13.947 18.286 0.728 1.00 0.00 O ATOM 327 CB PRO A 24 11.431 17.183 2.905 1.00 0.00 C ATOM 328 CG PRO A 24 11.396 15.821 2.233 1.00 0.00 C ATOM 329 CD PRO A 24 10.901 16.122 0.824 1.00 0.00 C ATOM 0 HA PRO A 24 11.252 19.095 1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.182 17.221 3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.473 17.426 3.365 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.382 15.356 2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.728 15.135 2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.320 15.420 0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.816 16.032 0.762 1.00 0.00 H new ATOM 337 N ASP A 25 13.738 19.152 2.789 1.00 0.00 N ATOM 338 CA ASP A 25 15.098 19.672 2.901 1.00 0.00 C ATOM 339 C ASP A 25 15.476 19.565 4.377 1.00 0.00 C ATOM 340 O ASP A 25 14.641 19.162 5.194 1.00 0.00 O ATOM 341 CB ASP A 25 15.212 21.119 2.372 1.00 0.00 C ATOM 342 CG ASP A 25 16.642 21.481 1.925 1.00 0.00 C ATOM 343 OD1 ASP A 25 17.580 21.535 2.753 1.00 0.00 O ATOM 344 OD2 ASP A 25 16.870 21.624 0.701 1.00 0.00 O ATOM 0 H ASP A 25 13.181 19.311 3.629 1.00 0.00 H new ATOM 0 HA ASP A 25 15.787 19.096 2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.530 21.248 1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.893 21.812 3.151 1.00 0.00 H new ATOM 349 N ASP A 26 16.719 19.886 4.709 1.00 0.00 N ATOM 350 CA ASP A 26 17.304 20.054 6.037 1.00 0.00 C ATOM 351 C ASP A 26 17.120 18.798 6.883 1.00 0.00 C ATOM 352 O ASP A 26 17.961 17.899 6.822 1.00 0.00 O ATOM 353 CB ASP A 26 16.747 21.342 6.672 1.00 0.00 C ATOM 354 CG ASP A 26 17.538 21.847 7.877 1.00 0.00 C ATOM 355 OD1 ASP A 26 18.583 21.268 8.252 1.00 0.00 O ATOM 356 OD2 ASP A 26 17.178 22.931 8.392 1.00 0.00 O ATOM 0 H ASP A 26 17.415 20.053 3.982 1.00 0.00 H new ATOM 0 HA ASP A 26 18.384 20.179 5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.724 22.125 5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.716 21.165 6.978 1.00 0.00 H new ATOM 361 N SER A 27 15.987 18.651 7.568 1.00 0.00 N ATOM 362 CA SER A 27 15.464 17.407 8.108 1.00 0.00 C ATOM 363 C SER A 27 13.940 17.579 8.193 1.00 0.00 C ATOM 364 O SER A 27 13.452 18.390 8.987 1.00 0.00 O ATOM 365 CB SER A 27 16.106 17.124 9.476 1.00 0.00 C ATOM 366 OG SER A 27 17.522 17.095 9.352 1.00 0.00 O ATOM 0 H SER A 27 15.379 19.444 7.770 1.00 0.00 H new ATOM 0 HA SER A 27 15.699 16.548 7.479 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.811 17.892 10.191 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.747 16.171 9.865 1.00 0.00 H new ATOM 0 HG SER A 27 17.767 17.058 8.404 1.00 0.00 H new ATOM 372 N SER A 28 13.156 16.945 7.314 1.00 0.00 N ATOM 373 CA SER A 28 11.708 16.845 7.487 1.00 0.00 C ATOM 374 C SER A 28 11.216 15.423 7.193 1.00 0.00 C ATOM 375 O SER A 28 11.186 14.991 6.037 1.00 0.00 O ATOM 376 CB SER A 28 10.995 17.907 6.647 1.00 0.00 C ATOM 377 OG SER A 28 11.573 19.178 6.903 1.00 0.00 O ATOM 0 H SER A 28 13.506 16.491 6.470 1.00 0.00 H new ATOM 0 HA SER A 28 11.461 17.045 8.529 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.078 17.664 5.588 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.932 17.924 6.888 1.00 0.00 H new ATOM 0 HG SER A 28 11.118 19.859 6.364 1.00 0.00 H new ATOM 383 N ALA A 29 10.836 14.702 8.250 1.00 0.00 N ATOM 384 CA ALA A 29 10.192 13.394 8.225 1.00 0.00 C ATOM 385 C ALA A 29 9.225 13.303 9.414 1.00 0.00 C ATOM 386 O ALA A 29 9.443 13.944 10.444 1.00 0.00 O ATOM 387 CB ALA A 29 11.261 12.304 8.331 1.00 0.00 C ATOM 0 H ALA A 29 10.980 15.039 9.202 1.00 0.00 H new ATOM 0 HA ALA A 29 9.640 13.258 7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.784 11.324 8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.951 12.388 7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.810 12.423 9.265 1.00 0.00 H new ATOM 393 N GLY A 30 8.137 12.538 9.295 1.00 0.00 N ATOM 394 CA GLY A 30 7.197 12.290 10.369 1.00 0.00 C ATOM 395 C GLY A 30 5.923 11.670 9.818 1.00 0.00 C ATOM 396 O GLY A 30 5.873 11.250 8.653 1.00 0.00 O ATOM 0 H GLY A 30 7.888 12.067 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.644 11.624 11.107 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.964 13.224 10.881 1.00 0.00 H new ATOM 400 N SER A 31 4.913 11.602 10.677 1.00 0.00 N ATOM 401 CA SER A 31 3.625 10.996 10.423 1.00 0.00 C ATOM 402 C SER A 31 2.585 12.074 10.108 1.00 0.00 C ATOM 403 O SER A 31 2.308 12.935 10.948 1.00 0.00 O ATOM 404 CB SER A 31 3.226 10.168 11.650 1.00 0.00 C ATOM 405 OG SER A 31 3.336 10.913 12.857 1.00 0.00 O ATOM 0 H SER A 31 4.981 11.991 11.618 1.00 0.00 H new ATOM 0 HA SER A 31 3.680 10.339 9.555 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.200 9.818 11.533 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.860 9.283 11.711 1.00 0.00 H new ATOM 0 HG SER A 31 3.021 11.829 12.706 1.00 0.00 H new ATOM 411 N PHE A 32 1.977 12.009 8.923 1.00 0.00 N ATOM 412 CA PHE A 32 0.801 12.817 8.563 1.00 0.00 C ATOM 413 C PHE A 32 -0.374 11.971 8.034 1.00 0.00 C ATOM 414 O PHE A 32 -0.350 10.745 8.146 1.00 0.00 O ATOM 415 CB PHE A 32 1.207 14.009 7.689 1.00 0.00 C ATOM 416 CG PHE A 32 1.998 13.692 6.440 1.00 0.00 C ATOM 417 CD1 PHE A 32 1.335 13.363 5.244 1.00 0.00 C ATOM 418 CD2 PHE A 32 3.402 13.807 6.457 1.00 0.00 C ATOM 419 CE1 PHE A 32 2.072 13.221 4.060 1.00 0.00 C ATOM 420 CE2 PHE A 32 4.136 13.659 5.270 1.00 0.00 C ATOM 421 CZ PHE A 32 3.466 13.406 4.063 1.00 0.00 C ATOM 0 H PHE A 32 2.287 11.389 8.175 1.00 0.00 H new ATOM 0 HA PHE A 32 0.390 13.253 9.474 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.302 14.540 7.394 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.794 14.695 8.299 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.264 13.221 5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.915 14.010 7.386 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.566 12.968 3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.213 13.740 5.285 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.020 13.353 3.138 1.00 0.00 H new ATOM 431 N ILE A 33 -1.450 12.611 7.559 1.00 0.00 N ATOM 432 CA ILE A 33 -2.685 12.008 7.038 1.00 0.00 C ATOM 433 C ILE A 33 -2.940 12.663 5.667 1.00 0.00 C ATOM 434 O ILE A 33 -2.454 13.770 5.433 1.00 0.00 O ATOM 435 CB ILE A 33 -3.833 12.197 8.075 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.423 11.575 9.436 1.00 0.00 C ATOM 437 CG2 ILE A 33 -5.163 11.591 7.588 1.00 0.00 C ATOM 438 CD1 ILE A 33 -4.517 11.508 10.511 1.00 0.00 C ATOM 0 H ILE A 33 -1.484 13.630 7.526 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.615 10.930 6.892 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.994 13.268 8.197 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.060 10.564 9.254 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.586 12.147 9.835 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.933 11.747 8.344 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.464 12.074 6.658 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.035 10.522 7.417 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.111 11.055 11.415 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.868 12.515 10.736 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.350 10.907 10.146 1.00 0.00 H new ATOM 450 N LEU A 34 -3.665 12.020 4.742 1.00 0.00 N ATOM 451 CA LEU A 34 -3.839 12.525 3.375 1.00 0.00 C ATOM 452 C LEU A 34 -5.277 12.421 2.886 1.00 0.00 C ATOM 453 O LEU A 34 -6.001 11.486 3.230 1.00 0.00 O ATOM 454 CB LEU A 34 -2.953 11.716 2.420 1.00 0.00 C ATOM 455 CG LEU A 34 -1.464 12.077 2.494 1.00 0.00 C ATOM 456 CD1 LEU A 34 -0.669 11.029 1.712 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.199 13.476 1.937 1.00 0.00 C ATOM 0 H LEU A 34 -4.146 11.138 4.920 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.561 13.579 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.071 10.655 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.303 11.868 1.399 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.150 12.083 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.393 11.271 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.835 10.045 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.998 11.023 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.134 13.699 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.513 13.518 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.761 14.210 2.514 1.00 0.00 H new ATOM 469 N ASP A 35 -5.658 13.351 2.013 1.00 0.00 N ATOM 470 CA ASP A 35 -6.969 13.444 1.383 1.00 0.00 C ATOM 471 C ASP A 35 -7.045 12.432 0.249 1.00 0.00 C ATOM 472 O ASP A 35 -6.705 12.738 -0.898 1.00 0.00 O ATOM 473 CB ASP A 35 -7.217 14.876 0.884 1.00 0.00 C ATOM 474 CG ASP A 35 -7.461 15.826 2.048 1.00 0.00 C ATOM 475 OD1 ASP A 35 -8.605 15.840 2.557 1.00 0.00 O ATOM 476 OD2 ASP A 35 -6.497 16.501 2.484 1.00 0.00 O ATOM 0 H ASP A 35 -5.029 14.095 1.713 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.750 13.213 2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.358 15.217 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.077 14.888 0.214 1.00 0.00 H new ATOM 481 N ILE A 36 -7.449 11.205 0.581 1.00 0.00 N ATOM 482 CA ILE A 36 -7.558 10.090 -0.346 1.00 0.00 C ATOM 483 C ILE A 36 -9.001 9.563 -0.286 1.00 0.00 C ATOM 484 O ILE A 36 -9.635 9.593 0.771 1.00 0.00 O ATOM 485 CB ILE A 36 -6.571 8.957 0.063 1.00 0.00 C ATOM 486 CG1 ILE A 36 -5.096 9.410 0.130 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.641 7.728 -0.879 1.00 0.00 C ATOM 488 CD1 ILE A 36 -4.223 8.512 1.011 1.00 0.00 C ATOM 0 H ILE A 36 -7.717 10.958 1.534 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.311 10.416 -1.356 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.905 8.681 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.683 9.428 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.054 10.431 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.931 6.972 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.649 7.313 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.392 8.034 -1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.200 8.888 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.612 8.513 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.235 7.495 0.619 1.00 0.00 H new ATOM 500 N THR A 37 -9.483 8.965 -1.375 1.00 0.00 N ATOM 501 CA THR A 37 -10.815 8.400 -1.480 1.00 0.00 C ATOM 502 C THR A 37 -10.702 6.916 -1.825 1.00 0.00 C ATOM 503 O THR A 37 -9.930 6.518 -2.712 1.00 0.00 O ATOM 504 CB THR A 37 -11.658 9.177 -2.506 1.00 0.00 C ATOM 505 OG1 THR A 37 -11.471 10.573 -2.427 1.00 0.00 O ATOM 506 CG2 THR A 37 -13.144 8.947 -2.237 1.00 0.00 C ATOM 0 H THR A 37 -8.936 8.861 -2.230 1.00 0.00 H new ATOM 0 HA THR A 37 -11.332 8.489 -0.525 1.00 0.00 H new ATOM 0 HB THR A 37 -11.340 8.814 -3.483 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.570 10.800 -2.737 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.736 9.500 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.368 7.883 -2.319 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.390 9.293 -1.233 1.00 0.00 H new ATOM 514 N SER A 38 -11.469 6.087 -1.116 1.00 0.00 N ATOM 515 CA SER A 38 -11.479 4.643 -1.280 1.00 0.00 C ATOM 516 C SER A 38 -12.814 4.104 -0.761 1.00 0.00 C ATOM 517 O SER A 38 -12.921 3.641 0.376 1.00 0.00 O ATOM 518 CB SER A 38 -10.280 4.038 -0.540 1.00 0.00 C ATOM 519 OG SER A 38 -10.083 2.688 -0.913 1.00 0.00 O ATOM 0 H SER A 38 -12.114 6.414 -0.396 1.00 0.00 H new ATOM 0 HA SER A 38 -11.385 4.366 -2.330 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.382 4.615 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.442 4.102 0.536 1.00 0.00 H new ATOM 0 HG SER A 38 -10.014 2.133 -0.108 1.00 0.00 H new ATOM 525 N TYR A 39 -13.863 4.170 -1.578 1.00 0.00 N ATOM 526 CA TYR A 39 -15.146 3.566 -1.243 1.00 0.00 C ATOM 527 C TYR A 39 -15.891 3.187 -2.513 1.00 0.00 C ATOM 528 O TYR A 39 -15.508 3.589 -3.614 1.00 0.00 O ATOM 529 CB TYR A 39 -15.979 4.505 -0.342 1.00 0.00 C ATOM 530 CG TYR A 39 -16.345 5.869 -0.892 1.00 0.00 C ATOM 531 CD1 TYR A 39 -17.458 6.028 -1.742 1.00 0.00 C ATOM 532 CD2 TYR A 39 -15.627 7.002 -0.467 1.00 0.00 C ATOM 533 CE1 TYR A 39 -17.853 7.311 -2.163 1.00 0.00 C ATOM 534 CE2 TYR A 39 -16.027 8.285 -0.871 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.139 8.448 -1.728 1.00 0.00 C ATOM 536 OH TYR A 39 -17.516 9.695 -2.119 1.00 0.00 O ATOM 0 H TYR A 39 -13.846 4.640 -2.483 1.00 0.00 H new ATOM 0 HA TYR A 39 -14.971 2.653 -0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -16.904 3.989 -0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.428 4.655 0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -18.010 5.161 -2.072 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -14.765 6.884 0.173 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -18.703 7.426 -2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -15.483 9.152 -0.526 1.00 0.00 H new ATOM 0 HH TYR A 39 -17.443 9.768 -3.093 1.00 0.00 H new ATOM 546 N LYS A 40 -16.992 2.455 -2.357 1.00 0.00 N ATOM 547 CA LYS A 40 -17.974 2.224 -3.403 1.00 0.00 C ATOM 548 C LYS A 40 -19.317 2.732 -2.909 1.00 0.00 C ATOM 549 O LYS A 40 -19.724 2.416 -1.793 1.00 0.00 O ATOM 550 CB LYS A 40 -17.962 0.765 -3.832 1.00 0.00 C ATOM 551 CG LYS A 40 -18.401 -0.302 -2.827 1.00 0.00 C ATOM 552 CD LYS A 40 -19.884 -0.664 -2.986 1.00 0.00 C ATOM 553 CE LYS A 40 -20.092 -2.176 -3.113 1.00 0.00 C ATOM 554 NZ LYS A 40 -19.886 -2.859 -1.825 1.00 0.00 N ATOM 0 H LYS A 40 -17.228 1.997 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.735 2.778 -4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.601 0.674 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -16.948 0.522 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.793 -1.197 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.222 0.058 -1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.443 -0.291 -2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.287 -0.167 -3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.100 -2.376 -3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.401 -2.578 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.035 -3.881 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.916 -2.687 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.562 -2.492 -1.125 1.00 0.00 H new ATOM 568 N LYS A 41 -19.951 3.591 -3.699 1.00 0.00 N ATOM 569 CA LYS A 41 -21.250 4.186 -3.426 1.00 0.00 C ATOM 570 C LYS A 41 -22.267 3.372 -4.192 1.00 0.00 C ATOM 571 O LYS A 41 -22.043 3.111 -5.375 1.00 0.00 O ATOM 572 CB LYS A 41 -21.246 5.643 -3.900 1.00 0.00 C ATOM 573 CG LYS A 41 -22.585 6.354 -3.670 1.00 0.00 C ATOM 574 CD LYS A 41 -22.483 7.856 -3.974 1.00 0.00 C ATOM 575 CE LYS A 41 -22.233 8.688 -2.702 1.00 0.00 C ATOM 576 NZ LYS A 41 -23.033 9.933 -2.707 1.00 0.00 N ATOM 0 H LYS A 41 -19.555 3.904 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 41 -21.486 4.183 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.458 6.186 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.003 5.673 -4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.350 5.905 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.901 6.211 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.674 8.028 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -23.403 8.192 -4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -22.484 8.095 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.174 8.934 -2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.843 10.471 -1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.775 10.508 -3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.044 9.696 -2.753 1.00 0.00 H new ATOM 590 N THR A 42 -23.341 2.964 -3.533 1.00 0.00 N ATOM 591 CA THR A 42 -24.433 2.198 -4.108 1.00 0.00 C ATOM 592 C THR A 42 -25.548 2.174 -3.057 1.00 0.00 C ATOM 593 O THR A 42 -25.308 2.480 -1.883 1.00 0.00 O ATOM 594 CB THR A 42 -23.923 0.811 -4.566 1.00 0.00 C ATOM 595 OG1 THR A 42 -24.910 0.033 -5.204 1.00 0.00 O ATOM 596 CG2 THR A 42 -23.261 -0.010 -3.460 1.00 0.00 C ATOM 0 H THR A 42 -23.480 3.167 -2.543 1.00 0.00 H new ATOM 0 HA THR A 42 -24.842 2.642 -5.015 1.00 0.00 H new ATOM 0 HB THR A 42 -23.154 1.059 -5.297 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.526 -0.828 -5.470 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.932 -0.967 -3.865 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.401 0.533 -3.069 1.00 0.00 H new ATOM 0 HG23 THR A 42 -23.977 -0.182 -2.657 1.00 0.00 H new ATOM 604 N GLY A 43 -26.770 1.850 -3.474 1.00 0.00 N ATOM 605 CA GLY A 43 -27.963 2.013 -2.667 1.00 0.00 C ATOM 606 C GLY A 43 -28.028 3.448 -2.170 1.00 0.00 C ATOM 607 O GLY A 43 -28.130 4.382 -2.963 1.00 0.00 O ATOM 0 H GLY A 43 -26.955 1.461 -4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -28.851 1.777 -3.254 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -27.945 1.322 -1.824 1.00 0.00 H new ATOM 611 N ASN A 44 -27.893 3.633 -0.863 1.00 0.00 N ATOM 612 CA ASN A 44 -27.868 4.931 -0.192 1.00 0.00 C ATOM 613 C ASN A 44 -26.824 4.848 0.922 1.00 0.00 C ATOM 614 O ASN A 44 -27.114 5.032 2.106 1.00 0.00 O ATOM 615 CB ASN A 44 -29.275 5.253 0.314 1.00 0.00 C ATOM 616 CG ASN A 44 -29.347 6.594 1.039 1.00 0.00 C ATOM 617 OD1 ASN A 44 -28.740 7.574 0.612 1.00 0.00 O ATOM 618 ND2 ASN A 44 -30.124 6.690 2.105 1.00 0.00 N ATOM 0 H ASN A 44 -27.794 2.853 -0.213 1.00 0.00 H new ATOM 0 HA ASN A 44 -27.585 5.745 -0.860 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -29.966 5.262 -0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.604 4.462 0.988 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -30.225 7.585 2.583 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -30.622 5.869 2.449 1.00 0.00 H new ATOM 625 N SER A 45 -25.632 4.406 0.541 1.00 0.00 N ATOM 626 CA SER A 45 -24.539 4.051 1.428 1.00 0.00 C ATOM 627 C SER A 45 -23.216 4.192 0.675 1.00 0.00 C ATOM 628 O SER A 45 -23.171 4.236 -0.561 1.00 0.00 O ATOM 629 CB SER A 45 -24.796 2.609 1.888 1.00 0.00 C ATOM 630 OG SER A 45 -23.805 2.027 2.718 1.00 0.00 O ATOM 0 H SER A 45 -25.393 4.280 -0.443 1.00 0.00 H new ATOM 0 HA SER A 45 -24.480 4.704 2.299 1.00 0.00 H new ATOM 0 HB2 SER A 45 -25.746 2.585 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 45 -24.911 1.983 1.003 1.00 0.00 H new ATOM 0 HG SER A 45 -24.070 1.113 2.952 1.00 0.00 H new ATOM 636 N THR A 46 -22.125 4.191 1.435 1.00 0.00 N ATOM 637 CA THR A 46 -20.774 4.058 0.920 1.00 0.00 C ATOM 638 C THR A 46 -20.042 3.051 1.802 1.00 0.00 C ATOM 639 O THR A 46 -19.653 3.402 2.918 1.00 0.00 O ATOM 640 CB THR A 46 -20.049 5.421 0.825 1.00 0.00 C ATOM 641 OG1 THR A 46 -19.959 6.110 2.058 1.00 0.00 O ATOM 642 CG2 THR A 46 -20.719 6.371 -0.171 1.00 0.00 C ATOM 0 H THR A 46 -22.161 4.285 2.450 1.00 0.00 H new ATOM 0 HA THR A 46 -20.795 3.690 -0.106 1.00 0.00 H new ATOM 0 HB THR A 46 -19.047 5.152 0.490 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.812 5.467 2.782 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.172 7.313 -0.200 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.716 5.919 -1.163 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.747 6.558 0.140 1.00 0.00 H new ATOM 650 N LYS A 47 -19.869 1.802 1.355 1.00 0.00 N ATOM 651 CA LYS A 47 -18.892 0.927 2.004 1.00 0.00 C ATOM 652 C LYS A 47 -17.518 1.456 1.629 1.00 0.00 C ATOM 653 O LYS A 47 -17.191 1.510 0.437 1.00 0.00 O ATOM 654 CB LYS A 47 -19.035 -0.551 1.598 1.00 0.00 C ATOM 655 CG LYS A 47 -20.030 -1.281 2.512 1.00 0.00 C ATOM 656 CD LYS A 47 -20.098 -2.801 2.289 1.00 0.00 C ATOM 657 CE LYS A 47 -18.847 -3.543 2.776 1.00 0.00 C ATOM 658 NZ LYS A 47 -17.898 -3.853 1.690 1.00 0.00 N ATOM 0 H LYS A 47 -20.375 1.386 0.573 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.054 0.943 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.371 -0.616 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.063 -1.041 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.759 -1.090 3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -21.023 -0.859 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.972 -3.198 2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.239 -2.999 1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.343 -2.937 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.149 -4.471 3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.935 -3.918 2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.156 -4.760 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.932 -3.100 0.973 1.00 0.00 H new ATOM 672 N ALA A 48 -16.736 1.874 2.623 1.00 0.00 N ATOM 673 CA ALA A 48 -15.322 2.130 2.414 1.00 0.00 C ATOM 674 C ALA A 48 -14.610 0.836 2.024 1.00 0.00 C ATOM 675 O ALA A 48 -15.135 -0.273 2.195 1.00 0.00 O ATOM 676 CB ALA A 48 -14.694 2.764 3.657 1.00 0.00 C ATOM 0 H ALA A 48 -17.061 2.040 3.575 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.208 2.841 1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.635 2.946 3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -15.193 3.708 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.807 2.089 4.506 1.00 0.00 H new ATOM 682 N LEU A 49 -13.405 1.001 1.487 1.00 0.00 N ATOM 683 CA LEU A 49 -12.479 -0.084 1.236 1.00 0.00 C ATOM 684 C LEU A 49 -11.098 0.327 1.702 1.00 0.00 C ATOM 685 O LEU A 49 -10.597 1.384 1.304 1.00 0.00 O ATOM 686 CB LEU A 49 -12.473 -0.451 -0.260 1.00 0.00 C ATOM 687 CG LEU A 49 -13.730 -1.221 -0.695 1.00 0.00 C ATOM 688 CD1 LEU A 49 -13.794 -1.454 -2.194 1.00 0.00 C ATOM 689 CD2 LEU A 49 -13.851 -2.581 -0.003 1.00 0.00 C ATOM 0 H LEU A 49 -13.043 1.914 1.211 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.792 -0.969 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.389 0.461 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.591 -1.054 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.558 -0.578 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.704 -2.002 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.798 -0.495 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -12.926 -2.033 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.755 -3.084 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.982 -3.192 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.902 -2.437 1.076 1.00 0.00 H new ATOM 701 N SER A 50 -10.469 -0.530 2.499 1.00 0.00 N ATOM 702 CA SER A 50 -9.051 -0.484 2.764 1.00 0.00 C ATOM 703 C SER A 50 -8.266 -0.641 1.460 1.00 0.00 C ATOM 704 O SER A 50 -8.772 -1.111 0.428 1.00 0.00 O ATOM 705 CB SER A 50 -8.690 -1.603 3.750 1.00 0.00 C ATOM 706 OG SER A 50 -9.411 -1.473 4.963 1.00 0.00 O ATOM 0 H SER A 50 -10.948 -1.288 2.985 1.00 0.00 H new ATOM 0 HA SER A 50 -8.790 0.479 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.905 -2.572 3.299 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.620 -1.578 3.956 1.00 0.00 H new ATOM 0 HG SER A 50 -9.162 -2.200 5.571 1.00 0.00 H new ATOM 712 N TRP A 51 -6.994 -0.274 1.536 1.00 0.00 N ATOM 713 CA TRP A 51 -6.006 -0.517 0.506 1.00 0.00 C ATOM 714 C TRP A 51 -4.738 -1.048 1.167 1.00 0.00 C ATOM 715 O TRP A 51 -4.573 -0.956 2.390 1.00 0.00 O ATOM 716 CB TRP A 51 -5.790 0.772 -0.299 1.00 0.00 C ATOM 717 CG TRP A 51 -5.227 1.955 0.427 1.00 0.00 C ATOM 718 CD1 TRP A 51 -3.910 2.223 0.597 1.00 0.00 C ATOM 719 CD2 TRP A 51 -5.942 3.079 1.024 1.00 0.00 C ATOM 720 NE1 TRP A 51 -3.766 3.443 1.229 1.00 0.00 N ATOM 721 CE2 TRP A 51 -4.984 4.023 1.495 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.302 3.408 1.202 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -5.354 5.244 2.071 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -7.686 4.629 1.790 1.00 0.00 C ATOM 725 CH2 TRP A 51 -6.714 5.552 2.214 1.00 0.00 C ATOM 0 H TRP A 51 -6.614 0.217 2.345 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.338 -1.273 -0.205 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -5.126 0.541 -1.132 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.748 1.065 -0.728 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.098 1.582 0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.867 3.862 1.469 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -8.063 2.711 0.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -4.599 5.942 2.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -8.734 4.858 1.916 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.014 6.494 2.648 1.00 0.00 H new ATOM 736 N ASN A 52 -3.822 -1.597 0.379 1.00 0.00 N ATOM 737 CA ASN A 52 -2.499 -2.029 0.821 1.00 0.00 C ATOM 738 C ASN A 52 -1.449 -1.407 -0.091 1.00 0.00 C ATOM 739 O ASN A 52 -1.815 -0.856 -1.128 1.00 0.00 O ATOM 740 CB ASN A 52 -2.401 -3.559 0.911 1.00 0.00 C ATOM 741 CG ASN A 52 -2.280 -4.292 -0.422 1.00 0.00 C ATOM 742 OD1 ASN A 52 -1.285 -4.972 -0.648 1.00 0.00 O ATOM 743 ND2 ASN A 52 -3.280 -4.243 -1.283 1.00 0.00 N ATOM 0 H ASN A 52 -3.983 -1.759 -0.615 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.315 -1.677 1.836 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.537 -3.814 1.525 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.283 -3.932 1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.232 -4.776 -2.151 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.101 -3.672 -1.080 1.00 0.00 H new ATOM 750 N ALA A 53 -0.184 -1.416 0.335 1.00 0.00 N ATOM 751 CA ALA A 53 0.923 -0.681 -0.277 1.00 0.00 C ATOM 752 C ALA A 53 2.233 -1.446 -0.070 1.00 0.00 C ATOM 753 O ALA A 53 2.269 -2.343 0.779 1.00 0.00 O ATOM 754 CB ALA A 53 1.040 0.692 0.397 1.00 0.00 C ATOM 0 H ALA A 53 0.108 -1.958 1.149 1.00 0.00 H new ATOM 0 HA ALA A 53 0.735 -0.566 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.863 1.249 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.111 1.245 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.230 0.559 1.462 1.00 0.00 H new ATOM 760 N SER A 54 3.309 -1.040 -0.758 1.00 0.00 N ATOM 761 CA SER A 54 4.704 -1.371 -0.442 1.00 0.00 C ATOM 762 C SER A 54 5.653 -0.754 -1.479 1.00 0.00 C ATOM 763 O SER A 54 5.210 -0.257 -2.523 1.00 0.00 O ATOM 764 CB SER A 54 4.953 -2.882 -0.315 1.00 0.00 C ATOM 765 OG SER A 54 4.392 -3.648 -1.364 1.00 0.00 O ATOM 0 H SER A 54 3.227 -0.447 -1.584 1.00 0.00 H new ATOM 0 HA SER A 54 4.910 -0.940 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.028 -3.061 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.543 -3.229 0.634 1.00 0.00 H new ATOM 0 HG SER A 54 4.591 -4.597 -1.219 1.00 0.00 H new ATOM 771 N GLY A 55 6.956 -0.766 -1.196 1.00 0.00 N ATOM 772 CA GLY A 55 7.978 -0.199 -2.053 1.00 0.00 C ATOM 773 C GLY A 55 9.311 -0.184 -1.316 1.00 0.00 C ATOM 774 O GLY A 55 9.887 -1.239 -1.048 1.00 0.00 O ATOM 0 H GLY A 55 7.331 -1.182 -0.343 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.064 -0.783 -2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.701 0.814 -2.345 1.00 0.00 H new ATOM 778 N ASP A 56 9.793 1.006 -0.954 1.00 0.00 N ATOM 779 CA ASP A 56 10.923 1.187 -0.035 1.00 0.00 C ATOM 780 C ASP A 56 10.560 0.672 1.368 1.00 0.00 C ATOM 781 O ASP A 56 9.383 0.500 1.691 1.00 0.00 O ATOM 782 CB ASP A 56 11.329 2.671 0.022 1.00 0.00 C ATOM 783 CG ASP A 56 12.364 3.050 -1.034 1.00 0.00 C ATOM 784 OD1 ASP A 56 11.984 3.215 -2.214 1.00 0.00 O ATOM 785 OD2 ASP A 56 13.568 3.179 -0.708 1.00 0.00 O ATOM 0 H ASP A 56 9.405 1.886 -1.295 1.00 0.00 H new ATOM 0 HA ASP A 56 11.771 0.609 -0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.441 3.290 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.729 2.894 1.011 1.00 0.00 H new ATOM 790 N SER A 57 11.572 0.447 2.213 1.00 0.00 N ATOM 791 CA SER A 57 11.439 -0.078 3.574 1.00 0.00 C ATOM 792 C SER A 57 10.832 0.944 4.535 1.00 0.00 C ATOM 793 O SER A 57 10.066 0.591 5.425 1.00 0.00 O ATOM 794 CB SER A 57 12.828 -0.487 4.108 1.00 0.00 C ATOM 795 OG SER A 57 13.862 0.359 3.602 1.00 0.00 O ATOM 0 H SER A 57 12.542 0.633 1.957 1.00 0.00 H new ATOM 0 HA SER A 57 10.770 -0.937 3.523 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.825 -0.446 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.035 -1.520 3.829 1.00 0.00 H new ATOM 0 HG SER A 57 14.726 0.071 3.963 1.00 0.00 H new ATOM 801 N TRP A 58 11.216 2.207 4.388 1.00 0.00 N ATOM 802 CA TRP A 58 11.120 3.240 5.411 1.00 0.00 C ATOM 803 C TRP A 58 9.792 4.004 5.362 1.00 0.00 C ATOM 804 O TRP A 58 9.710 5.146 5.815 1.00 0.00 O ATOM 805 CB TRP A 58 12.348 4.144 5.238 1.00 0.00 C ATOM 806 CG TRP A 58 12.703 4.559 3.842 1.00 0.00 C ATOM 807 CD1 TRP A 58 13.526 3.872 3.018 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.329 5.771 3.119 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.645 4.546 1.825 1.00 0.00 N ATOM 810 CE2 TRP A 58 13.006 5.765 1.865 1.00 0.00 C ATOM 811 CE3 TRP A 58 11.539 6.906 3.411 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.937 6.840 0.970 1.00 0.00 C ATOM 813 CZ3 TRP A 58 11.450 7.987 2.514 1.00 0.00 C ATOM 814 CH2 TRP A 58 12.160 7.962 1.301 1.00 0.00 C ATOM 0 H TRP A 58 11.619 2.553 3.517 1.00 0.00 H new ATOM 0 HA TRP A 58 11.120 2.795 6.406 1.00 0.00 H new ATOM 0 HB2 TRP A 58 12.189 5.046 5.828 1.00 0.00 H new ATOM 0 HB3 TRP A 58 13.209 3.630 5.667 1.00 0.00 H new ATOM 0 HD1 TRP A 58 14.014 2.939 3.259 1.00 0.00 H new ATOM 0 HE1 TRP A 58 14.145 4.187 1.011 1.00 0.00 H new ATOM 0 HE3 TRP A 58 10.992 6.945 4.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.476 6.806 0.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 10.834 8.839 2.759 1.00 0.00 H new ATOM 0 HH2 TRP A 58 12.108 8.803 0.626 1.00 0.00 H new ATOM 825 N ILE A 59 8.754 3.419 4.767 1.00 0.00 N ATOM 826 CA ILE A 59 7.501 4.093 4.463 1.00 0.00 C ATOM 827 C ILE A 59 6.396 3.184 4.991 1.00 0.00 C ATOM 828 O ILE A 59 6.444 1.972 4.771 1.00 0.00 O ATOM 829 CB ILE A 59 7.403 4.381 2.950 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.630 5.205 2.478 1.00 0.00 C ATOM 831 CG2 ILE A 59 6.054 5.084 2.694 1.00 0.00 C ATOM 832 CD1 ILE A 59 8.732 5.394 0.967 1.00 0.00 C ATOM 0 H ILE A 59 8.765 2.441 4.478 1.00 0.00 H new ATOM 0 HA ILE A 59 7.419 5.070 4.939 1.00 0.00 H new ATOM 0 HB ILE A 59 7.426 3.462 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.594 6.186 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.537 4.714 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.953 5.302 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.239 4.433 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.015 6.014 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.620 5.981 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.803 4.420 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.846 5.916 0.605 1.00 0.00 H new ATOM 844 N HIS A 60 5.429 3.753 5.709 1.00 0.00 N ATOM 845 CA HIS A 60 4.495 3.023 6.555 1.00 0.00 C ATOM 846 C HIS A 60 3.074 3.507 6.276 1.00 0.00 C ATOM 847 O HIS A 60 2.831 4.720 6.284 1.00 0.00 O ATOM 848 CB HIS A 60 4.865 3.285 8.021 1.00 0.00 C ATOM 849 CG HIS A 60 6.203 2.723 8.435 1.00 0.00 C ATOM 850 ND1 HIS A 60 6.368 1.591 9.189 1.00 0.00 N ATOM 851 CD2 HIS A 60 7.449 3.242 8.193 1.00 0.00 C ATOM 852 CE1 HIS A 60 7.681 1.428 9.413 1.00 0.00 C ATOM 853 NE2 HIS A 60 8.387 2.384 8.786 1.00 0.00 N ATOM 0 H HIS A 60 5.272 4.761 5.716 1.00 0.00 H new ATOM 0 HA HIS A 60 4.547 1.954 6.348 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.866 4.361 8.196 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.092 2.859 8.660 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.668 4.147 7.645 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.110 0.639 10.013 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.403 2.469 8.749 1.00 0.00 H new ATOM 861 N VAL A 61 2.127 2.585 6.087 1.00 0.00 N ATOM 862 CA VAL A 61 0.721 2.914 5.853 1.00 0.00 C ATOM 863 C VAL A 61 -0.171 2.183 6.862 1.00 0.00 C ATOM 864 O VAL A 61 -0.036 0.976 7.098 1.00 0.00 O ATOM 865 CB VAL A 61 0.331 2.674 4.373 1.00 0.00 C ATOM 866 CG1 VAL A 61 0.355 1.209 3.929 1.00 0.00 C ATOM 867 CG2 VAL A 61 -1.063 3.250 4.090 1.00 0.00 C ATOM 0 H VAL A 61 2.317 1.583 6.092 1.00 0.00 H new ATOM 0 HA VAL A 61 0.563 3.979 6.023 1.00 0.00 H new ATOM 0 HB VAL A 61 1.101 3.186 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.068 1.142 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.360 0.807 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.346 0.634 4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.324 3.074 3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.795 2.764 4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.061 4.322 4.288 1.00 0.00 H new ATOM 877 N ASN A 62 -1.143 2.901 7.424 1.00 0.00 N ATOM 878 CA ASN A 62 -2.173 2.328 8.276 1.00 0.00 C ATOM 879 C ASN A 62 -3.520 2.947 7.918 1.00 0.00 C ATOM 880 O ASN A 62 -4.024 3.812 8.636 1.00 0.00 O ATOM 881 CB ASN A 62 -1.762 2.451 9.761 1.00 0.00 C ATOM 882 CG ASN A 62 -1.766 1.086 10.423 1.00 0.00 C ATOM 883 OD1 ASN A 62 -2.517 0.836 11.362 1.00 0.00 O ATOM 884 ND2 ASN A 62 -0.940 0.172 9.935 1.00 0.00 N ATOM 0 H ASN A 62 -1.234 3.909 7.296 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.284 1.257 8.105 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.770 2.896 9.835 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.450 3.117 10.282 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.918 -0.764 10.340 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.326 0.404 9.154 1.00 0.00 H new ATOM 891 N GLY A 63 -4.094 2.525 6.788 1.00 0.00 N ATOM 892 CA GLY A 63 -5.336 3.055 6.244 1.00 0.00 C ATOM 893 C GLY A 63 -5.214 4.562 6.080 1.00 0.00 C ATOM 894 O GLY A 63 -4.329 5.029 5.361 1.00 0.00 O ATOM 0 H GLY A 63 -3.692 1.784 6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.552 2.590 5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.167 2.817 6.907 1.00 0.00 H new ATOM 898 N SER A 64 -6.035 5.331 6.792 1.00 0.00 N ATOM 899 CA SER A 64 -5.965 6.789 6.827 1.00 0.00 C ATOM 900 C SER A 64 -4.825 7.281 7.741 1.00 0.00 C ATOM 901 O SER A 64 -5.052 8.071 8.657 1.00 0.00 O ATOM 902 CB SER A 64 -7.325 7.344 7.268 1.00 0.00 C ATOM 903 OG SER A 64 -8.378 6.822 6.477 1.00 0.00 O ATOM 0 H SER A 64 -6.782 4.950 7.372 1.00 0.00 H new ATOM 0 HA SER A 64 -5.737 7.160 5.828 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.498 7.097 8.315 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.317 8.431 7.194 1.00 0.00 H new ATOM 0 HG SER A 64 -9.232 7.193 6.783 1.00 0.00 H new ATOM 909 N SER A 65 -3.606 6.778 7.566 1.00 0.00 N ATOM 910 CA SER A 65 -2.410 7.229 8.267 1.00 0.00 C ATOM 911 C SER A 65 -1.227 7.010 7.326 1.00 0.00 C ATOM 912 O SER A 65 -1.284 6.130 6.454 1.00 0.00 O ATOM 913 CB SER A 65 -2.246 6.447 9.582 1.00 0.00 C ATOM 914 OG SER A 65 -1.968 7.313 10.668 1.00 0.00 O ATOM 0 H SER A 65 -3.419 6.020 6.910 1.00 0.00 H new ATOM 0 HA SER A 65 -2.477 8.284 8.533 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.156 5.884 9.788 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.439 5.722 9.477 1.00 0.00 H new ATOM 0 HG SER A 65 -1.871 6.787 11.489 1.00 0.00 H new ATOM 920 N VAL A 66 -0.178 7.817 7.469 1.00 0.00 N ATOM 921 CA VAL A 66 0.975 7.811 6.585 1.00 0.00 C ATOM 922 C VAL A 66 2.179 8.159 7.460 1.00 0.00 C ATOM 923 O VAL A 66 2.079 9.062 8.294 1.00 0.00 O ATOM 924 CB VAL A 66 0.813 8.892 5.490 1.00 0.00 C ATOM 925 CG1 VAL A 66 1.599 8.486 4.245 1.00 0.00 C ATOM 926 CG2 VAL A 66 -0.617 9.236 5.072 1.00 0.00 C ATOM 0 H VAL A 66 -0.109 8.505 8.219 1.00 0.00 H new ATOM 0 HA VAL A 66 1.090 6.845 6.094 1.00 0.00 H new ATOM 0 HB VAL A 66 1.200 9.798 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.482 9.250 3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.654 8.384 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.222 7.534 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.595 10.005 4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.107 8.344 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.170 9.605 5.936 1.00 0.00 H new ATOM 936 N SER A 67 3.318 7.504 7.255 1.00 0.00 N ATOM 937 CA SER A 67 4.600 7.959 7.786 1.00 0.00 C ATOM 938 C SER A 67 5.692 7.609 6.779 1.00 0.00 C ATOM 939 O SER A 67 5.584 6.603 6.071 1.00 0.00 O ATOM 940 CB SER A 67 4.902 7.330 9.159 1.00 0.00 C ATOM 941 OG SER A 67 3.787 7.402 10.031 1.00 0.00 O ATOM 0 H SER A 67 3.379 6.641 6.715 1.00 0.00 H new ATOM 0 HA SER A 67 4.562 9.038 7.936 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.191 6.288 9.025 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.751 7.840 9.613 1.00 0.00 H new ATOM 0 HG SER A 67 4.017 6.992 10.891 1.00 0.00 H new ATOM 947 N TYR A 68 6.750 8.415 6.748 1.00 0.00 N ATOM 948 CA TYR A 68 7.949 8.195 5.954 1.00 0.00 C ATOM 949 C TYR A 68 9.098 8.598 6.863 1.00 0.00 C ATOM 950 O TYR A 68 9.117 9.732 7.350 1.00 0.00 O ATOM 951 CB TYR A 68 7.971 9.008 4.648 1.00 0.00 C ATOM 952 CG TYR A 68 6.651 9.156 3.918 1.00 0.00 C ATOM 953 CD1 TYR A 68 5.693 10.103 4.328 1.00 0.00 C ATOM 954 CD2 TYR A 68 6.381 8.353 2.803 1.00 0.00 C ATOM 955 CE1 TYR A 68 4.488 10.240 3.625 1.00 0.00 C ATOM 956 CE2 TYR A 68 5.164 8.452 2.130 1.00 0.00 C ATOM 957 CZ TYR A 68 4.228 9.429 2.507 1.00 0.00 C ATOM 958 OH TYR A 68 3.096 9.587 1.781 1.00 0.00 O ATOM 0 H TYR A 68 6.794 9.273 7.298 1.00 0.00 H new ATOM 0 HA TYR A 68 8.008 7.156 5.629 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.349 10.005 4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.685 8.543 3.969 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.887 10.727 5.188 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.124 7.649 2.460 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.758 10.970 3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.941 7.776 1.318 1.00 0.00 H new ATOM 0 HH TYR A 68 2.810 10.524 1.820 1.00 0.00 H new ATOM 968 N ASP A 69 9.978 7.649 7.152 1.00 0.00 N ATOM 969 CA ASP A 69 11.081 7.778 8.093 1.00 0.00 C ATOM 970 C ASP A 69 12.201 8.636 7.489 1.00 0.00 C ATOM 971 O ASP A 69 12.281 8.799 6.264 1.00 0.00 O ATOM 972 CB ASP A 69 11.584 6.361 8.392 1.00 0.00 C ATOM 973 CG ASP A 69 12.283 6.217 9.730 1.00 0.00 C ATOM 974 OD1 ASP A 69 11.594 6.284 10.777 1.00 0.00 O ATOM 975 OD2 ASP A 69 13.505 5.952 9.712 1.00 0.00 O ATOM 0 H ASP A 69 9.940 6.727 6.717 1.00 0.00 H new ATOM 0 HA ASP A 69 10.756 8.270 9.009 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.739 5.674 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.271 6.057 7.602 1.00 0.00 H new ATOM 980 N GLU A 70 13.101 9.157 8.320 1.00 0.00 N ATOM 981 CA GLU A 70 14.169 10.058 7.883 1.00 0.00 C ATOM 982 C GLU A 70 15.392 9.263 7.409 1.00 0.00 C ATOM 983 O GLU A 70 15.685 8.195 7.959 1.00 0.00 O ATOM 984 CB GLU A 70 14.551 10.976 9.043 1.00 0.00 C ATOM 985 CG GLU A 70 15.103 12.320 8.554 1.00 0.00 C ATOM 986 CD GLU A 70 15.715 13.102 9.712 1.00 0.00 C ATOM 987 OE1 GLU A 70 15.269 12.942 10.871 1.00 0.00 O ATOM 988 OE2 GLU A 70 16.779 13.720 9.530 1.00 0.00 O ATOM 0 H GLU A 70 13.111 8.966 9.322 1.00 0.00 H new ATOM 0 HA GLU A 70 13.813 10.655 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.677 11.150 9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.297 10.482 9.665 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.856 12.152 7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.304 12.903 8.097 1.00 0.00 H new ATOM 995 N ASN A 71 16.101 9.787 6.407 1.00 0.00 N ATOM 996 CA ASN A 71 16.985 9.018 5.528 1.00 0.00 C ATOM 997 C ASN A 71 18.221 8.431 6.237 1.00 0.00 C ATOM 998 O ASN A 71 18.820 9.114 7.067 1.00 0.00 O ATOM 999 CB ASN A 71 17.442 9.931 4.383 1.00 0.00 C ATOM 1000 CG ASN A 71 17.571 9.168 3.082 1.00 0.00 C ATOM 1001 OD1 ASN A 71 16.587 8.722 2.504 1.00 0.00 O ATOM 1002 ND2 ASN A 71 18.751 9.031 2.517 1.00 0.00 N ATOM 0 H ASN A 71 16.076 10.781 6.179 1.00 0.00 H new ATOM 0 HA ASN A 71 16.412 8.165 5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.728 10.746 4.259 1.00 0.00 H new ATOM 0 HB3 ASN A 71 18.401 10.383 4.637 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.833 8.561 1.615 1.00 0.00 H new ATOM 0 HD22 ASN A 71 19.584 9.395 2.980 1.00 0.00 H new ATOM 1009 N PRO A 72 18.687 7.224 5.857 1.00 0.00 N ATOM 1010 CA PRO A 72 19.759 6.509 6.563 1.00 0.00 C ATOM 1011 C PRO A 72 21.189 6.864 6.125 1.00 0.00 C ATOM 1012 O PRO A 72 22.152 6.380 6.727 1.00 0.00 O ATOM 1013 CB PRO A 72 19.490 5.027 6.264 1.00 0.00 C ATOM 1014 CG PRO A 72 18.884 5.077 4.871 1.00 0.00 C ATOM 1015 CD PRO A 72 18.018 6.322 4.929 1.00 0.00 C ATOM 0 HA PRO A 72 19.731 6.781 7.618 1.00 0.00 H new ATOM 0 HB2 PRO A 72 20.405 4.436 6.287 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.806 4.585 6.988 1.00 0.00 H new ATOM 0 HG2 PRO A 72 19.650 5.152 4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 72 18.297 4.185 4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 72 17.919 6.777 3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 72 17.011 6.083 5.272 1.00 0.00 H new ATOM 1023 N ALA A 73 21.369 7.615 5.039 1.00 0.00 N ATOM 1024 CA ALA A 73 22.668 8.072 4.553 1.00 0.00 C ATOM 1025 C ALA A 73 22.462 9.385 3.800 1.00 0.00 C ATOM 1026 O ALA A 73 21.322 9.742 3.504 1.00 0.00 O ATOM 1027 CB ALA A 73 23.287 7.010 3.638 1.00 0.00 C ATOM 0 H ALA A 73 20.593 7.930 4.458 1.00 0.00 H new ATOM 0 HA ALA A 73 23.351 8.233 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 73 24.256 7.358 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 73 23.418 6.082 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 73 22.628 6.833 2.788 1.00 0.00 H new ATOM 1033 N LYS A 74 23.542 10.095 3.437 1.00 0.00 N ATOM 1034 CA LYS A 74 23.491 11.494 3.016 1.00 0.00 C ATOM 1035 C LYS A 74 23.080 11.664 1.565 1.00 0.00 C ATOM 1036 O LYS A 74 22.789 12.785 1.153 1.00 0.00 O ATOM 1037 CB LYS A 74 24.837 12.196 3.238 1.00 0.00 C ATOM 1038 CG LYS A 74 25.435 11.862 4.612 1.00 0.00 C ATOM 1039 CD LYS A 74 26.578 10.841 4.548 1.00 0.00 C ATOM 1040 CE LYS A 74 27.574 11.128 5.674 1.00 0.00 C ATOM 1041 NZ LYS A 74 28.673 10.149 5.697 1.00 0.00 N ATOM 0 H LYS A 74 24.484 9.704 3.429 1.00 0.00 H new ATOM 0 HA LYS A 74 22.726 11.956 3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 74 25.535 11.899 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.703 13.274 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 74 25.802 12.779 5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.647 11.474 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 74 26.184 9.829 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 74 27.078 10.897 3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 74 27.983 12.131 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 74 27.054 11.112 6.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 29.326 10.378 6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 28.285 9.195 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 29.186 10.181 4.793 1.00 0.00 H new ATOM 1055 N GLU A 75 23.070 10.570 0.805 1.00 0.00 N ATOM 1056 CA GLU A 75 22.654 10.585 -0.584 1.00 0.00 C ATOM 1057 C GLU A 75 21.205 11.081 -0.683 1.00 0.00 C ATOM 1058 O GLU A 75 20.458 11.016 0.299 1.00 0.00 O ATOM 1059 CB GLU A 75 22.731 9.166 -1.174 1.00 0.00 C ATOM 1060 CG GLU A 75 24.159 8.675 -1.429 1.00 0.00 C ATOM 1061 CD GLU A 75 24.117 7.292 -2.086 1.00 0.00 C ATOM 1062 OE1 GLU A 75 23.850 7.217 -3.311 1.00 0.00 O ATOM 1063 OE2 GLU A 75 24.273 6.264 -1.389 1.00 0.00 O ATOM 0 H GLU A 75 23.352 9.650 1.142 1.00 0.00 H new ATOM 0 HA GLU A 75 23.316 11.249 -1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 75 22.235 8.473 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 75 22.177 9.143 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 75 24.687 9.379 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 75 24.711 8.626 -0.490 1.00 0.00 H new ATOM 1070 N ARG A 76 20.747 11.449 -1.878 1.00 0.00 N ATOM 1071 CA ARG A 76 19.344 11.700 -2.166 1.00 0.00 C ATOM 1072 C ARG A 76 18.833 10.541 -3.019 1.00 0.00 C ATOM 1073 O ARG A 76 19.349 10.280 -4.107 1.00 0.00 O ATOM 1074 CB ARG A 76 19.230 13.024 -2.934 1.00 0.00 C ATOM 1075 CG ARG A 76 17.874 13.716 -2.825 1.00 0.00 C ATOM 1076 CD ARG A 76 17.739 14.931 -3.757 1.00 0.00 C ATOM 1077 NE ARG A 76 18.799 15.931 -3.539 1.00 0.00 N ATOM 1078 CZ ARG A 76 18.783 16.951 -2.669 1.00 0.00 C ATOM 1079 NH1 ARG A 76 17.708 17.223 -1.944 1.00 0.00 N ATOM 1080 NH2 ARG A 76 19.864 17.699 -2.499 1.00 0.00 N ATOM 0 H ARG A 76 21.356 11.582 -2.686 1.00 0.00 H new ATOM 0 HA ARG A 76 18.754 11.773 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 76 19.999 13.705 -2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 76 19.442 12.836 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.087 12.998 -3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 76 17.719 14.037 -1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.769 14.595 -4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.766 15.398 -3.601 1.00 0.00 H new ATOM 0 HE ARG A 76 19.637 15.837 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.869 16.651 -2.041 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.719 18.004 -1.288 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.711 17.499 -3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.849 18.474 -1.836 1.00 0.00 H new ATOM 1094 N ARG A 77 17.818 9.848 -2.539 1.00 0.00 N ATOM 1095 CA ARG A 77 17.035 8.839 -3.258 1.00 0.00 C ATOM 1096 C ARG A 77 15.688 9.450 -3.608 1.00 0.00 C ATOM 1097 O ARG A 77 15.328 10.516 -3.110 1.00 0.00 O ATOM 1098 CB ARG A 77 16.834 7.593 -2.367 1.00 0.00 C ATOM 1099 CG ARG A 77 18.132 6.851 -2.003 1.00 0.00 C ATOM 1100 CD ARG A 77 18.336 5.566 -2.807 1.00 0.00 C ATOM 1101 NE ARG A 77 19.547 4.861 -2.360 1.00 0.00 N ATOM 1102 CZ ARG A 77 19.620 3.884 -1.450 1.00 0.00 C ATOM 1103 NH1 ARG A 77 18.520 3.357 -0.925 1.00 0.00 N ATOM 1104 NH2 ARG A 77 20.803 3.425 -1.064 1.00 0.00 N ATOM 0 H ARG A 77 17.492 9.976 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 77 17.557 8.532 -4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.334 7.897 -1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.166 6.900 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.981 7.514 -2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 77 18.119 6.609 -0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.468 4.917 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.418 5.804 -3.868 1.00 0.00 H new ATOM 0 HE ARG A 77 20.426 5.148 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.603 3.697 -1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.592 2.612 -0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.657 3.817 -1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 77 20.859 2.680 -0.370 1.00 0.00 H new ATOM 1118 N THR A 78 14.930 8.741 -4.432 1.00 0.00 N ATOM 1119 CA THR A 78 13.492 8.849 -4.499 1.00 0.00 C ATOM 1120 C THR A 78 12.980 7.590 -3.793 1.00 0.00 C ATOM 1121 O THR A 78 13.175 6.479 -4.293 1.00 0.00 O ATOM 1122 CB THR A 78 13.076 8.908 -5.979 1.00 0.00 C ATOM 1123 OG1 THR A 78 13.752 9.951 -6.661 1.00 0.00 O ATOM 1124 CG2 THR A 78 11.565 9.106 -6.135 1.00 0.00 C ATOM 0 H THR A 78 15.314 8.059 -5.086 1.00 0.00 H new ATOM 0 HA THR A 78 13.085 9.742 -4.026 1.00 0.00 H new ATOM 0 HB THR A 78 13.353 7.950 -6.418 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.470 9.965 -7.600 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.310 9.143 -7.194 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.039 8.276 -5.664 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.269 10.041 -5.658 1.00 0.00 H new ATOM 1132 N GLY A 79 12.388 7.725 -2.607 1.00 0.00 N ATOM 1133 CA GLY A 79 11.574 6.656 -2.042 1.00 0.00 C ATOM 1134 C GLY A 79 10.342 6.506 -2.921 1.00 0.00 C ATOM 1135 O GLY A 79 9.796 7.528 -3.350 1.00 0.00 O ATOM 0 H GLY A 79 12.457 8.559 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.137 5.723 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.287 6.893 -1.017 1.00 0.00 H new ATOM 1139 N LEU A 80 9.909 5.274 -3.199 1.00 0.00 N ATOM 1140 CA LEU A 80 8.819 5.020 -4.136 1.00 0.00 C ATOM 1141 C LEU A 80 7.908 3.931 -3.589 1.00 0.00 C ATOM 1142 O LEU A 80 8.416 2.883 -3.187 1.00 0.00 O ATOM 1143 CB LEU A 80 9.406 4.595 -5.497 1.00 0.00 C ATOM 1144 CG LEU A 80 8.409 4.888 -6.631 1.00 0.00 C ATOM 1145 CD1 LEU A 80 8.537 6.356 -7.046 1.00 0.00 C ATOM 1146 CD2 LEU A 80 8.646 4.036 -7.871 1.00 0.00 C ATOM 0 H LEU A 80 10.303 4.431 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 80 8.231 5.928 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.339 5.128 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.644 3.531 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 80 7.418 4.655 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.832 6.570 -7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.318 6.996 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.552 6.549 -7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.910 4.291 -8.634 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.648 4.225 -8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.550 2.982 -7.612 1.00 0.00 H new ATOM 1158 N VAL A 81 6.584 4.118 -3.614 1.00 0.00 N ATOM 1159 CA VAL A 81 5.615 3.133 -3.116 1.00 0.00 C ATOM 1160 C VAL A 81 4.387 3.134 -4.031 1.00 0.00 C ATOM 1161 O VAL A 81 4.007 4.182 -4.568 1.00 0.00 O ATOM 1162 CB VAL A 81 5.202 3.462 -1.659 1.00 0.00 C ATOM 1163 CG1 VAL A 81 4.578 2.304 -0.871 1.00 0.00 C ATOM 1164 CG2 VAL A 81 6.381 3.923 -0.802 1.00 0.00 C ATOM 0 H VAL A 81 6.150 4.964 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 81 6.073 2.144 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 81 4.460 4.245 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.326 2.642 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.674 1.965 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.290 1.481 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.034 4.140 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.134 3.136 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.817 4.823 -1.237 1.00 0.00 H new ATOM 1174 N THR A 82 3.762 1.963 -4.155 1.00 0.00 N ATOM 1175 CA THR A 82 2.499 1.743 -4.868 1.00 0.00 C ATOM 1176 C THR A 82 1.366 1.561 -3.842 1.00 0.00 C ATOM 1177 O THR A 82 1.623 1.575 -2.636 1.00 0.00 O ATOM 1178 CB THR A 82 2.649 0.523 -5.807 1.00 0.00 C ATOM 1179 OG1 THR A 82 3.927 0.513 -6.413 1.00 0.00 O ATOM 1180 CG2 THR A 82 1.619 0.516 -6.946 1.00 0.00 C ATOM 0 H THR A 82 4.135 1.106 -3.746 1.00 0.00 H new ATOM 0 HA THR A 82 2.247 2.603 -5.488 1.00 0.00 H new ATOM 0 HB THR A 82 2.496 -0.351 -5.174 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.004 -0.267 -7.002 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.774 -0.363 -7.571 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.613 0.490 -6.527 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.738 1.416 -7.550 1.00 0.00 H new ATOM 1188 N LEU A 83 0.112 1.413 -4.289 1.00 0.00 N ATOM 1189 CA LEU A 83 -1.000 0.886 -3.498 1.00 0.00 C ATOM 1190 C LEU A 83 -2.010 0.191 -4.420 1.00 0.00 C ATOM 1191 O LEU A 83 -1.944 0.403 -5.631 1.00 0.00 O ATOM 1192 CB LEU A 83 -1.680 1.942 -2.588 1.00 0.00 C ATOM 1193 CG LEU A 83 -1.839 3.398 -3.022 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -2.784 4.071 -2.017 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -0.506 4.165 -2.958 1.00 0.00 C ATOM 0 H LEU A 83 -0.161 1.665 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.581 0.154 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.680 1.569 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.127 1.952 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.210 3.415 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.924 5.116 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.747 3.561 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.353 4.014 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.664 5.196 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.128 4.153 -1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.219 3.690 -3.618 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.938 -0.611 -3.872 1.00 0.00 N ATOM 1208 CA LYS A 84 -4.077 -1.247 -4.564 1.00 0.00 C ATOM 1209 C LYS A 84 -5.217 -1.459 -3.552 1.00 0.00 C ATOM 1210 O LYS A 84 -4.941 -1.467 -2.355 1.00 0.00 O ATOM 1211 CB LYS A 84 -3.602 -2.570 -5.190 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.494 -3.023 -6.360 1.00 0.00 C ATOM 1213 CD LYS A 84 -5.157 -4.378 -6.096 1.00 0.00 C ATOM 1214 CE LYS A 84 -5.741 -4.994 -7.374 1.00 0.00 C ATOM 1215 NZ LYS A 84 -6.275 -6.348 -7.115 1.00 0.00 N ATOM 0 H LYS A 84 -2.914 -0.847 -2.880 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.456 -0.614 -5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.577 -2.454 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.590 -3.346 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.264 -2.273 -6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.894 -3.085 -7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.425 -5.062 -5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.950 -4.255 -5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.535 -4.354 -7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.970 -5.045 -8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.664 -6.742 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.511 -6.962 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.027 -6.293 -6.398 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.476 -1.603 -3.997 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.660 -1.676 -3.123 1.00 0.00 C ATOM 1231 C GLN A 85 -8.064 -3.132 -2.898 1.00 0.00 C ATOM 1232 O GLN A 85 -7.766 -3.992 -3.718 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.854 -0.932 -3.763 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.926 -0.416 -2.785 1.00 0.00 C ATOM 1235 CD GLN A 85 -10.957 0.434 -3.523 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -11.887 -0.079 -4.115 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.808 1.740 -3.544 1.00 0.00 N ATOM 0 H GLN A 85 -6.704 -1.673 -4.989 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.402 -1.209 -2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.468 -0.084 -4.329 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.333 -1.601 -4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.420 -1.258 -2.300 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.456 0.174 -1.998 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.029 2.172 -3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.472 2.321 -4.056 1.00 0.00 H new ATOM 1246 N ASP A 86 -8.850 -3.377 -1.853 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.455 -4.676 -1.553 1.00 0.00 C ATOM 1248 C ASP A 86 -10.299 -5.230 -2.717 1.00 0.00 C ATOM 1249 O ASP A 86 -9.889 -6.201 -3.351 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.264 -4.553 -0.267 1.00 0.00 C ATOM 1251 CG ASP A 86 -10.965 -5.861 0.082 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -10.403 -6.689 0.831 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -12.129 -6.044 -0.321 1.00 0.00 O ATOM 0 H ASP A 86 -9.092 -2.658 -1.171 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.657 -5.406 -1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.605 -4.263 0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.004 -3.761 -0.377 1.00 0.00 H new ATOM 1258 N GLU A 87 -11.451 -4.629 -3.045 1.00 0.00 N ATOM 1259 CA GLU A 87 -12.343 -5.150 -4.098 1.00 0.00 C ATOM 1260 C GLU A 87 -11.998 -4.594 -5.485 1.00 0.00 C ATOM 1261 O GLU A 87 -12.502 -5.086 -6.490 1.00 0.00 O ATOM 1262 CB GLU A 87 -13.821 -4.847 -3.789 1.00 0.00 C ATOM 1263 CG GLU A 87 -14.266 -5.384 -2.428 1.00 0.00 C ATOM 1264 CD GLU A 87 -15.783 -5.392 -2.249 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -16.376 -4.415 -1.741 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -16.403 -6.439 -2.553 1.00 0.00 O ATOM 0 H GLU A 87 -11.791 -3.778 -2.596 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.189 -6.229 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.980 -3.769 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.447 -5.282 -4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.887 -6.398 -2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.817 -4.777 -1.641 1.00 0.00 H new ATOM 1273 N SER A 88 -11.159 -3.561 -5.557 1.00 0.00 N ATOM 1274 CA SER A 88 -10.873 -2.773 -6.753 1.00 0.00 C ATOM 1275 C SER A 88 -9.356 -2.621 -6.907 1.00 0.00 C ATOM 1276 O SER A 88 -8.595 -3.492 -6.492 1.00 0.00 O ATOM 1277 CB SER A 88 -11.635 -1.445 -6.707 1.00 0.00 C ATOM 1278 OG SER A 88 -11.861 -0.916 -7.994 1.00 0.00 O ATOM 0 H SER A 88 -10.636 -3.236 -4.744 1.00 0.00 H new ATOM 0 HA SER A 88 -11.228 -3.283 -7.648 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.591 -1.594 -6.204 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.071 -0.725 -6.114 1.00 0.00 H new ATOM 0 HG SER A 88 -12.351 -0.071 -7.919 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.901 -1.553 -7.554 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.568 -1.385 -8.078 1.00 0.00 C ATOM 1286 C GLY A 89 -7.140 0.051 -7.850 1.00 0.00 C ATOM 1287 O GLY A 89 -6.721 0.713 -8.797 1.00 0.00 O ATOM 0 H GLY A 89 -9.493 -0.741 -7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.878 -2.069 -7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.546 -1.623 -9.142 1.00 0.00 H new ATOM 1291 N LYS A 90 -7.343 0.589 -6.638 1.00 0.00 N ATOM 1292 CA LYS A 90 -6.949 1.961 -6.340 1.00 0.00 C ATOM 1293 C LYS A 90 -5.426 2.052 -6.346 1.00 0.00 C ATOM 1294 O LYS A 90 -4.782 1.770 -5.337 1.00 0.00 O ATOM 1295 CB LYS A 90 -7.730 2.617 -5.179 1.00 0.00 C ATOM 1296 CG LYS A 90 -7.202 2.482 -3.754 1.00 0.00 C ATOM 1297 CD LYS A 90 -7.773 3.505 -2.762 1.00 0.00 C ATOM 1298 CE LYS A 90 -6.999 4.828 -2.636 1.00 0.00 C ATOM 1299 NZ LYS A 90 -7.203 5.750 -3.774 1.00 0.00 N ATOM 0 H LYS A 90 -7.775 0.094 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.275 2.630 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.811 3.682 -5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.741 2.211 -5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.426 1.479 -3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.117 2.579 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.798 3.733 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.820 3.039 -1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.301 5.329 -1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.935 4.608 -2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.300 6.723 -3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.386 5.695 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.066 5.481 -4.288 1.00 0.00 H new ATOM 1313 N THR A 91 -4.830 2.389 -7.483 1.00 0.00 N ATOM 1314 CA THR A 91 -3.398 2.616 -7.537 1.00 0.00 C ATOM 1315 C THR A 91 -3.163 4.111 -7.411 1.00 0.00 C ATOM 1316 O THR A 91 -3.894 4.917 -8.003 1.00 0.00 O ATOM 1317 CB THR A 91 -2.722 1.906 -8.723 1.00 0.00 C ATOM 1318 OG1 THR A 91 -3.038 2.481 -9.977 1.00 0.00 O ATOM 1319 CG2 THR A 91 -3.104 0.421 -8.772 1.00 0.00 C ATOM 0 H THR A 91 -5.315 2.510 -8.372 1.00 0.00 H new ATOM 0 HA THR A 91 -2.890 2.142 -6.697 1.00 0.00 H new ATOM 0 HB THR A 91 -1.652 2.024 -8.550 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.578 1.988 -10.688 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.611 -0.054 -9.620 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.788 -0.067 -7.850 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.184 0.327 -8.881 1.00 0.00 H new ATOM 1327 N LEU A 92 -2.214 4.470 -6.550 1.00 0.00 N ATOM 1328 CA LEU A 92 -1.602 5.786 -6.449 1.00 0.00 C ATOM 1329 C LEU A 92 -0.101 5.553 -6.583 1.00 0.00 C ATOM 1330 O LEU A 92 0.374 4.434 -6.355 1.00 0.00 O ATOM 1331 CB LEU A 92 -1.961 6.420 -5.092 1.00 0.00 C ATOM 1332 CG LEU A 92 -3.053 7.498 -5.031 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -4.252 7.359 -5.963 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -3.607 7.544 -3.601 1.00 0.00 C ATOM 0 H LEU A 92 -1.833 3.813 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.954 6.473 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.259 5.613 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.049 6.854 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.538 8.399 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.935 8.193 -5.804 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.910 7.362 -6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.769 6.422 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.385 8.305 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.027 6.572 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.803 7.788 -2.907 1.00 0.00 H new ATOM 1346 N SER A 93 0.638 6.611 -6.902 1.00 0.00 N ATOM 1347 CA SER A 93 2.092 6.619 -6.841 1.00 0.00 C ATOM 1348 C SER A 93 2.509 7.627 -5.774 1.00 0.00 C ATOM 1349 O SER A 93 2.099 8.791 -5.832 1.00 0.00 O ATOM 1350 CB SER A 93 2.735 6.943 -8.198 1.00 0.00 C ATOM 1351 OG SER A 93 1.860 7.048 -9.315 1.00 0.00 O ATOM 0 H SER A 93 0.238 7.496 -7.213 1.00 0.00 H new ATOM 0 HA SER A 93 2.446 5.621 -6.581 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.276 7.884 -8.101 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.473 6.172 -8.417 1.00 0.00 H new ATOM 0 HG SER A 93 2.380 7.258 -10.119 1.00 0.00 H new ATOM 1357 N LEU A 94 3.304 7.182 -4.804 1.00 0.00 N ATOM 1358 CA LEU A 94 3.897 8.023 -3.771 1.00 0.00 C ATOM 1359 C LEU A 94 5.390 8.152 -4.096 1.00 0.00 C ATOM 1360 O LEU A 94 6.026 7.132 -4.392 1.00 0.00 O ATOM 1361 CB LEU A 94 3.660 7.344 -2.406 1.00 0.00 C ATOM 1362 CG LEU A 94 3.612 8.291 -1.195 1.00 0.00 C ATOM 1363 CD1 LEU A 94 4.809 9.246 -1.132 1.00 0.00 C ATOM 1364 CD2 LEU A 94 2.278 9.042 -1.114 1.00 0.00 C ATOM 0 H LEU A 94 3.560 6.199 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 94 3.456 9.019 -3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.720 6.793 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.451 6.612 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 94 3.686 7.657 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.717 9.888 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.731 8.669 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.831 9.861 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.283 9.701 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.139 9.635 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.462 8.325 -1.021 1.00 0.00 H new ATOM 1376 N LYS A 95 5.943 9.368 -4.077 1.00 0.00 N ATOM 1377 CA LYS A 95 7.376 9.653 -4.181 1.00 0.00 C ATOM 1378 C LYS A 95 7.768 10.565 -3.031 1.00 0.00 C ATOM 1379 O LYS A 95 7.008 11.468 -2.681 1.00 0.00 O ATOM 1380 CB LYS A 95 7.698 10.371 -5.505 1.00 0.00 C ATOM 1381 CG LYS A 95 7.520 9.529 -6.776 1.00 0.00 C ATOM 1382 CD LYS A 95 6.928 10.333 -7.935 1.00 0.00 C ATOM 1383 CE LYS A 95 7.883 11.340 -8.573 1.00 0.00 C ATOM 1384 NZ LYS A 95 7.125 12.317 -9.382 1.00 0.00 N ATOM 0 H LYS A 95 5.382 10.215 -3.985 1.00 0.00 H new ATOM 0 HA LYS A 95 7.927 8.713 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.063 11.253 -5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.729 10.723 -5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.486 9.122 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.871 8.681 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.589 9.639 -8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.048 10.866 -7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.448 11.858 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.606 10.820 -9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.784 12.997 -9.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.605 11.818 -10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.452 12.824 -8.773 1.00 0.00 H new ATOM 1398 N ILE A 96 8.969 10.371 -2.495 1.00 0.00 N ATOM 1399 CA ILE A 96 9.601 11.284 -1.553 1.00 0.00 C ATOM 1400 C ILE A 96 11.044 11.420 -2.022 1.00 0.00 C ATOM 1401 O ILE A 96 11.771 10.424 -2.044 1.00 0.00 O ATOM 1402 CB ILE A 96 9.553 10.757 -0.102 1.00 0.00 C ATOM 1403 CG1 ILE A 96 8.205 10.148 0.325 1.00 0.00 C ATOM 1404 CG2 ILE A 96 9.950 11.878 0.874 1.00 0.00 C ATOM 1405 CD1 ILE A 96 8.233 8.631 0.128 1.00 0.00 C ATOM 0 H ILE A 96 9.542 9.555 -2.710 1.00 0.00 H new ATOM 0 HA ILE A 96 9.077 12.240 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 96 10.268 9.935 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.004 10.384 1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.397 10.585 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 96 9.914 11.500 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.961 12.217 0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.256 12.712 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.276 8.207 0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.413 8.404 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.030 8.200 0.734 1.00 0.00 H new ATOM 1417 N VAL A 97 11.470 12.618 -2.406 1.00 0.00 N ATOM 1418 CA VAL A 97 12.854 12.916 -2.712 1.00 0.00 C ATOM 1419 C VAL A 97 13.336 13.764 -1.538 1.00 0.00 C ATOM 1420 O VAL A 97 13.078 14.963 -1.514 1.00 0.00 O ATOM 1421 CB VAL A 97 12.942 13.606 -4.091 1.00 0.00 C ATOM 1422 CG1 VAL A 97 14.391 13.947 -4.439 1.00 0.00 C ATOM 1423 CG2 VAL A 97 12.412 12.725 -5.231 1.00 0.00 C ATOM 0 H VAL A 97 10.848 13.419 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 97 13.495 12.040 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 97 12.329 14.503 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.426 14.432 -5.415 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.798 14.620 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.983 13.032 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.499 13.261 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.995 11.805 -5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.366 12.482 -5.047 1.00 0.00 H new ATOM 1433 N GLN A 98 13.955 13.141 -0.528 1.00 0.00 N ATOM 1434 CA GLN A 98 14.542 13.887 0.590 1.00 0.00 C ATOM 1435 C GLN A 98 16.065 13.865 0.440 1.00 0.00 C ATOM 1436 O GLN A 98 16.600 12.816 0.048 1.00 0.00 O ATOM 1437 CB GLN A 98 14.063 13.343 1.959 1.00 0.00 C ATOM 1438 CG GLN A 98 14.616 11.974 2.378 1.00 0.00 C ATOM 1439 CD GLN A 98 14.073 11.500 3.736 1.00 0.00 C ATOM 1440 OE1 GLN A 98 14.473 12.004 4.780 1.00 0.00 O ATOM 1441 NE2 GLN A 98 13.221 10.488 3.774 1.00 0.00 N ATOM 0 H GLN A 98 14.062 12.129 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 98 14.204 14.923 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.329 14.069 2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.975 13.281 1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.365 11.237 1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.704 12.026 2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.888 10.069 2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 98 12.897 10.127 4.671 1.00 0.00 H new ATOM 1450 N PRO A 99 16.786 14.946 0.797 1.00 0.00 N ATOM 1451 CA PRO A 99 18.226 14.891 0.977 1.00 0.00 C ATOM 1452 C PRO A 99 18.506 13.997 2.171 1.00 0.00 C ATOM 1453 O PRO A 99 17.646 13.794 3.032 1.00 0.00 O ATOM 1454 CB PRO A 99 18.693 16.321 1.238 1.00 0.00 C ATOM 1455 CG PRO A 99 17.465 16.983 1.850 1.00 0.00 C ATOM 1456 CD PRO A 99 16.277 16.232 1.242 1.00 0.00 C ATOM 0 HA PRO A 99 18.748 14.490 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.545 16.348 1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 99 19.002 16.818 0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.471 16.901 2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.427 18.046 1.610 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.483 16.102 1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.851 16.790 0.408 1.00 0.00 H new ATOM 1464 N GLY A 100 19.707 13.443 2.218 1.00 0.00 N ATOM 1465 CA GLY A 100 20.018 12.412 3.175 1.00 0.00 C ATOM 1466 C GLY A 100 20.653 12.944 4.453 1.00 0.00 C ATOM 1467 O GLY A 100 21.191 14.053 4.461 1.00 0.00 O ATOM 0 H GLY A 100 20.479 13.696 1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.104 11.875 3.429 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.694 11.692 2.715 1.00 0.00 H new ATOM 1471 N LYS A 101 20.717 12.096 5.478 1.00 0.00 N ATOM 1472 CA LYS A 101 21.171 12.432 6.826 1.00 0.00 C ATOM 1473 C LYS A 101 22.166 11.377 7.311 1.00 0.00 C ATOM 1474 O LYS A 101 22.207 10.268 6.778 1.00 0.00 O ATOM 1475 CB LYS A 101 19.906 12.593 7.708 1.00 0.00 C ATOM 1476 CG LYS A 101 20.063 12.566 9.241 1.00 0.00 C ATOM 1477 CD LYS A 101 19.746 11.185 9.839 1.00 0.00 C ATOM 1478 CE LYS A 101 18.239 11.000 10.024 1.00 0.00 C ATOM 1479 NZ LYS A 101 17.757 11.631 11.276 1.00 0.00 N ATOM 0 H LYS A 101 20.443 11.118 5.388 1.00 0.00 H new ATOM 0 HA LYS A 101 21.720 13.373 6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 101 19.435 13.539 7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 101 19.209 11.801 7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 101 21.083 12.847 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 101 19.402 13.311 9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 101 20.134 10.404 9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 101 20.250 11.076 10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.712 11.432 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.002 9.936 10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.721 11.558 11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.177 11.145 12.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.035 12.633 11.289 1.00 0.00 H new ATOM 1493 N THR A 102 22.981 11.730 8.302 1.00 0.00 N ATOM 1494 CA THR A 102 23.709 10.835 9.180 1.00 0.00 C ATOM 1495 C THR A 102 23.747 11.518 10.542 1.00 0.00 C ATOM 1496 O THR A 102 24.664 12.308 10.809 1.00 0.00 O ATOM 1497 CB THR A 102 25.139 10.584 8.700 1.00 0.00 C ATOM 1498 OG1 THR A 102 25.758 11.797 8.299 1.00 0.00 O ATOM 1499 CG2 THR A 102 25.233 9.574 7.559 1.00 0.00 C ATOM 0 H THR A 102 23.157 12.710 8.522 1.00 0.00 H new ATOM 0 HA THR A 102 23.215 9.864 9.208 1.00 0.00 H new ATOM 0 HB THR A 102 25.662 10.157 9.556 1.00 0.00 H new ATOM 0 HG1 THR A 102 25.663 12.464 9.011 1.00 0.00 H new ATOM 0 HG21 THR A 102 26.276 9.447 7.271 1.00 0.00 H new ATOM 0 HG22 THR A 102 24.827 8.617 7.886 1.00 0.00 H new ATOM 0 HG23 THR A 102 24.662 9.937 6.704 1.00 0.00 H new ATOM 1507 N SER A 103 22.747 11.267 11.373 1.00 0.00 N ATOM 1508 CA SER A 103 22.638 11.862 12.691 1.00 0.00 C ATOM 1509 C SER A 103 21.960 10.859 13.623 1.00 0.00 C ATOM 1510 O SER A 103 21.243 9.982 13.144 1.00 0.00 O ATOM 1511 CB SER A 103 21.869 13.183 12.623 1.00 0.00 C ATOM 1512 OG SER A 103 22.325 14.030 11.578 1.00 0.00 O ATOM 0 H SER A 103 21.979 10.635 11.145 1.00 0.00 H new ATOM 0 HA SER A 103 23.629 12.093 13.081 1.00 0.00 H new ATOM 0 HB2 SER A 103 20.809 12.974 12.479 1.00 0.00 H new ATOM 0 HB3 SER A 103 21.965 13.704 13.576 1.00 0.00 H new ATOM 0 HG SER A 103 21.801 14.858 11.576 1.00 0.00 H new ATOM 1518 N ILE A 104 22.169 10.971 14.934 1.00 0.00 N ATOM 1519 CA ILE A 104 21.651 10.037 15.942 1.00 0.00 C ATOM 1520 C ILE A 104 20.137 10.203 16.192 1.00 0.00 C ATOM 1521 O ILE A 104 19.689 10.231 17.336 1.00 0.00 O ATOM 1522 CB ILE A 104 22.501 10.125 17.238 1.00 0.00 C ATOM 1523 CG1 ILE A 104 22.500 11.538 17.876 1.00 0.00 C ATOM 1524 CG2 ILE A 104 23.930 9.628 16.939 1.00 0.00 C ATOM 1525 CD1 ILE A 104 23.229 11.604 19.222 1.00 0.00 C ATOM 0 H ILE A 104 22.716 11.731 15.338 1.00 0.00 H new ATOM 0 HA ILE A 104 21.753 9.025 15.549 1.00 0.00 H new ATOM 0 HB ILE A 104 22.042 9.479 17.987 1.00 0.00 H new ATOM 0 HG12 ILE A 104 22.967 12.240 17.185 1.00 0.00 H new ATOM 0 HG13 ILE A 104 21.469 11.864 18.014 1.00 0.00 H new ATOM 0 HG21 ILE A 104 24.533 9.687 17.845 1.00 0.00 H new ATOM 0 HG22 ILE A 104 23.891 8.594 16.596 1.00 0.00 H new ATOM 0 HG23 ILE A 104 24.377 10.251 16.164 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.188 12.622 19.609 1.00 0.00 H new ATOM 0 HD12 ILE A 104 22.749 10.928 19.929 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.270 11.309 19.087 1.00 0.00 H new ATOM 1537 N ASP A 105 19.315 10.327 15.156 1.00 0.00 N ATOM 1538 CA ASP A 105 17.876 10.565 15.240 1.00 0.00 C ATOM 1539 C ASP A 105 17.223 9.579 14.319 1.00 0.00 C ATOM 1540 O ASP A 105 16.290 8.878 14.765 1.00 0.00 O ATOM 1541 CB ASP A 105 17.517 11.991 14.796 1.00 0.00 C ATOM 1542 CG ASP A 105 17.290 12.930 15.974 1.00 0.00 C ATOM 1543 OD1 ASP A 105 16.266 12.791 16.675 1.00 0.00 O ATOM 1544 OD2 ASP A 105 18.134 13.823 16.232 1.00 0.00 O ATOM 0 H ASP A 105 19.646 10.262 14.193 1.00 0.00 H new ATOM 0 HA ASP A 105 17.538 10.450 16.270 1.00 0.00 H new ATOM 0 HB2 ASP A 105 18.318 12.385 14.170 1.00 0.00 H new ATOM 0 HB3 ASP A 105 16.617 11.961 14.181 1.00 0.00 H new TER 1549 ASP A 105